USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 SER OG : rot 180:sc= 0.0972 USER MOD Single : A 18 TYR OH : rot -81:sc= 0.752 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 75:sc= 0.42 USER MOD Single : A 31 GLN : amide:sc= 0.0756 X(o=0.076,f=-0.19) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 71:sc= 1.24 USER MOD Single : A 38 LYS NZ :NH3+ -172:sc= 1.29 (180deg=1.16) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.149 USER MOD Single : A 49 SER OG : rot 180:sc= 0.219 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0313 F(o=-0.7,f=-0.031) USER MOD Single : A 62 ASN : amide:sc=-0.00653 X(o=-0.0065,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.456 X(o=0.46,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.235 X(o=0.24,f=-0.071) USER MOD Single : A 74 GLN : amide:sc= 0.838 K(o=0.84,f=0) USER MOD Single : A 75 SER OG : rot 100:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0488) USER MOD Single : A 80 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 14 16.919 -7.488 -2.817 1.00 0.00 N ATOM 2 CA LEU A 14 18.363 -7.195 -2.757 1.00 0.00 C ATOM 3 C LEU A 14 18.643 -5.785 -2.265 1.00 0.00 C ATOM 4 O LEU A 14 19.750 -5.547 -1.791 1.00 0.00 O ATOM 5 CB LEU A 14 19.068 -7.448 -4.101 1.00 0.00 C ATOM 6 CG LEU A 14 19.465 -8.923 -4.278 1.00 0.00 C ATOM 7 CD1 LEU A 14 19.997 -9.165 -5.690 1.00 0.00 C ATOM 8 CD2 LEU A 14 20.547 -9.341 -3.277 1.00 0.00 C ATOM 0 HA LEU A 14 18.778 -7.892 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.410 -7.150 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.959 -6.823 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 14 18.568 -9.518 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.274 -10.214 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.225 -8.916 -6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.873 -8.539 -5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.801 -10.389 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 14 21.435 -8.726 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.175 -9.205 -2.261 1.00 0.00 H new ATOM 20 N LEU A 15 17.693 -4.853 -2.382 1.00 0.00 N ATOM 21 CA LEU A 15 17.804 -3.490 -1.881 1.00 0.00 C ATOM 22 C LEU A 15 16.437 -3.147 -1.307 1.00 0.00 C ATOM 23 O LEU A 15 15.422 -3.588 -1.859 1.00 0.00 O ATOM 24 CB LEU A 15 18.140 -2.534 -3.034 1.00 0.00 C ATOM 25 CG LEU A 15 19.498 -2.798 -3.714 1.00 0.00 C ATOM 26 CD1 LEU A 15 19.485 -2.151 -5.095 1.00 0.00 C ATOM 27 CD2 LEU A 15 20.672 -2.305 -2.865 1.00 0.00 C ATOM 0 H LEU A 15 16.801 -5.037 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 15 18.591 -3.399 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.353 -2.602 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.131 -1.512 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 15 19.641 -3.873 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.440 -2.329 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.681 -2.583 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.324 -1.078 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 15 21.608 -2.512 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.577 -1.231 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.668 -2.820 -1.904 1.00 0.00 H new ATOM 39 N ASP A 16 16.394 -2.370 -0.229 1.00 0.00 N ATOM 40 CA ASP A 16 15.178 -2.151 0.561 1.00 0.00 C ATOM 41 C ASP A 16 14.318 -1.004 0.016 1.00 0.00 C ATOM 42 O ASP A 16 13.584 -0.360 0.760 1.00 0.00 O ATOM 43 CB ASP A 16 15.530 -2.012 2.058 1.00 0.00 C ATOM 44 CG ASP A 16 14.437 -2.533 3.009 1.00 0.00 C ATOM 45 OD1 ASP A 16 13.792 -3.568 2.699 1.00 0.00 O ATOM 46 OD2 ASP A 16 14.347 -2.009 4.143 1.00 0.00 O ATOM 0 H ASP A 16 17.207 -1.868 0.127 1.00 0.00 H new ATOM 0 HA ASP A 16 14.543 -3.032 0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.456 -2.552 2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 16 15.720 -0.962 2.280 1.00 0.00 H new ATOM 51 N SER A 17 14.371 -0.752 -1.295 1.00 0.00 N ATOM 52 CA SER A 17 13.525 0.190 -2.038 1.00 0.00 C ATOM 53 C SER A 17 12.025 -0.061 -1.835 1.00 0.00 C ATOM 54 O SER A 17 11.207 0.855 -1.950 1.00 0.00 O ATOM 55 CB SER A 17 13.867 0.089 -3.536 1.00 0.00 C ATOM 56 OG SER A 17 14.323 -1.212 -3.893 1.00 0.00 O ATOM 0 H SER A 17 15.042 -1.225 -1.901 1.00 0.00 H new ATOM 0 HA SER A 17 13.731 1.189 -1.654 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.986 0.339 -4.127 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.635 0.823 -3.783 1.00 0.00 H new ATOM 0 HG SER A 17 14.528 -1.235 -4.851 1.00 0.00 H new ATOM 62 N TYR A 18 11.659 -1.302 -1.511 1.00 0.00 N ATOM 63 CA TYR A 18 10.305 -1.673 -1.138 1.00 0.00 C ATOM 64 C TYR A 18 9.826 -0.886 0.081 1.00 0.00 C ATOM 65 O TYR A 18 8.630 -0.652 0.204 1.00 0.00 O ATOM 66 CB TYR A 18 10.240 -3.170 -0.818 1.00 0.00 C ATOM 67 CG TYR A 18 10.413 -4.099 -2.005 1.00 0.00 C ATOM 68 CD1 TYR A 18 9.285 -4.515 -2.741 1.00 0.00 C ATOM 69 CD2 TYR A 18 11.687 -4.598 -2.334 1.00 0.00 C ATOM 70 CE1 TYR A 18 9.413 -5.471 -3.767 1.00 0.00 C ATOM 71 CE2 TYR A 18 11.828 -5.527 -3.379 1.00 0.00 C ATOM 72 CZ TYR A 18 10.693 -5.994 -4.078 1.00 0.00 C ATOM 73 OH TYR A 18 10.865 -6.946 -5.035 1.00 0.00 O ATOM 0 H TYR A 18 12.311 -2.086 -1.502 1.00 0.00 H new ATOM 0 HA TYR A 18 9.656 -1.440 -1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.011 -3.401 -0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 18 9.279 -3.382 -0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.315 -4.097 -2.516 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.556 -4.267 -1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.542 -5.803 -4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 18 12.810 -5.886 -3.649 1.00 0.00 H new ATOM 0 HH TYR A 18 10.645 -7.826 -4.664 1.00 0.00 H new ATOM 83 N GLU A 19 10.708 -0.494 1.000 1.00 0.00 N ATOM 84 CA GLU A 19 10.288 0.055 2.277 1.00 0.00 C ATOM 85 C GLU A 19 9.683 1.454 2.110 1.00 0.00 C ATOM 86 O GLU A 19 8.630 1.733 2.685 1.00 0.00 O ATOM 87 CB GLU A 19 11.473 -0.007 3.251 1.00 0.00 C ATOM 88 CG GLU A 19 11.016 -0.180 4.699 1.00 0.00 C ATOM 89 CD GLU A 19 11.513 0.915 5.623 1.00 0.00 C ATOM 90 OE1 GLU A 19 11.199 2.090 5.327 1.00 0.00 O ATOM 91 OE2 GLU A 19 12.071 0.565 6.686 1.00 0.00 O ATOM 0 H GLU A 19 11.719 -0.549 0.878 1.00 0.00 H new ATOM 0 HA GLU A 19 9.482 -0.542 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.126 -0.835 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.062 0.906 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.927 -0.203 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.365 -1.144 5.070 1.00 0.00 H new ATOM 98 N ALA A 20 10.280 2.298 1.262 1.00 0.00 N ATOM 99 CA ALA A 20 9.759 3.595 0.843 1.00 0.00 C ATOM 100 C ALA A 20 8.397 3.429 0.146 1.00 0.00 C ATOM 101 O ALA A 20 7.428 4.107 0.490 1.00 0.00 O ATOM 102 CB ALA A 20 10.784 4.253 -0.090 1.00 0.00 C ATOM 0 H ALA A 20 11.179 2.082 0.832 1.00 0.00 H new ATOM 0 HA ALA A 20 9.602 4.233 1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.411 5.225 -0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.727 4.385 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.944 3.618 -0.961 1.00 0.00 H new ATOM 108 N ILE A 21 8.311 2.495 -0.808 1.00 0.00 N ATOM 109 CA ILE A 21 7.088 2.117 -1.524 1.00 0.00 C ATOM 110 C ILE A 21 5.965 1.799 -0.536 1.00 0.00 C ATOM 111 O ILE A 21 4.870 2.364 -0.622 1.00 0.00 O ATOM 112 CB ILE A 21 7.423 0.937 -2.474 1.00 0.00 C ATOM 113 CG1 ILE A 21 8.187 1.476 -3.696 1.00 0.00 C ATOM 114 CG2 ILE A 21 6.222 0.065 -2.883 1.00 0.00 C ATOM 115 CD1 ILE A 21 8.890 0.385 -4.506 1.00 0.00 C ATOM 0 H ILE A 21 9.124 1.961 -1.114 1.00 0.00 H new ATOM 0 HA ILE A 21 6.721 2.944 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 21 8.053 0.250 -1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.491 2.007 -4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.927 2.202 -3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.560 -0.731 -3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.770 -0.372 -1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.485 0.680 -3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.408 0.837 -5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.611 -0.131 -3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.152 -0.329 -4.872 1.00 0.00 H new ATOM 127 N LEU A 22 6.239 0.870 0.379 1.00 0.00 N ATOM 128 CA LEU A 22 5.335 0.371 1.397 1.00 0.00 C ATOM 129 C LEU A 22 4.931 1.476 2.365 1.00 0.00 C ATOM 130 O LEU A 22 3.787 1.469 2.816 1.00 0.00 O ATOM 131 CB LEU A 22 6.038 -0.774 2.141 1.00 0.00 C ATOM 132 CG LEU A 22 6.085 -2.080 1.329 1.00 0.00 C ATOM 133 CD1 LEU A 22 7.052 -3.058 1.982 1.00 0.00 C ATOM 134 CD2 LEU A 22 4.701 -2.712 1.246 1.00 0.00 C ATOM 0 H LEU A 22 7.155 0.423 0.426 1.00 0.00 H new ATOM 0 HA LEU A 22 4.420 0.008 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.055 -0.469 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.523 -0.957 3.084 1.00 0.00 H new ATOM 0 HG LEU A 22 6.425 -1.847 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.082 -3.981 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.049 -2.618 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.719 -3.276 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.756 -3.634 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.342 -2.935 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.013 -2.020 0.760 1.00 0.00 H new ATOM 146 N SER A 23 5.827 2.422 2.649 1.00 0.00 N ATOM 147 CA SER A 23 5.546 3.598 3.462 1.00 0.00 C ATOM 148 C SER A 23 4.441 4.452 2.829 1.00 0.00 C ATOM 149 O SER A 23 3.651 5.056 3.548 1.00 0.00 O ATOM 150 CB SER A 23 6.829 4.426 3.640 1.00 0.00 C ATOM 151 OG SER A 23 7.228 4.491 4.993 1.00 0.00 O ATOM 0 H SER A 23 6.789 2.388 2.311 1.00 0.00 H new ATOM 0 HA SER A 23 5.195 3.268 4.440 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.630 3.987 3.046 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.666 5.435 3.260 1.00 0.00 H new ATOM 0 HG SER A 23 8.047 5.024 5.067 1.00 0.00 H new ATOM 157 N GLY A 24 4.328 4.490 1.497 1.00 0.00 N ATOM 158 CA GLY A 24 3.202 5.144 0.845 1.00 0.00 C ATOM 159 C GLY A 24 1.887 4.492 1.275 1.00 0.00 C ATOM 160 O GLY A 24 0.985 5.159 1.773 1.00 0.00 O ATOM 0 H GLY A 24 5.004 4.075 0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.191 6.204 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.311 5.078 -0.237 1.00 0.00 H new ATOM 164 N ILE A 25 1.801 3.169 1.117 1.00 0.00 N ATOM 165 CA ILE A 25 0.596 2.384 1.386 1.00 0.00 C ATOM 166 C ILE A 25 0.170 2.529 2.860 1.00 0.00 C ATOM 167 O ILE A 25 -1.016 2.447 3.163 1.00 0.00 O ATOM 168 CB ILE A 25 0.822 0.893 1.018 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.523 0.687 -0.345 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.513 0.121 1.028 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.856 -0.778 -0.645 1.00 0.00 C ATOM 0 H ILE A 25 2.584 2.603 0.792 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.211 2.768 0.762 1.00 0.00 H new ATOM 0 HB ILE A 25 1.492 0.501 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.882 1.075 -1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.443 1.272 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.332 -0.922 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.957 0.175 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.195 0.564 0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.346 -0.848 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.522 -1.165 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.937 -1.364 -0.659 1.00 0.00 H new ATOM 183 N GLU A 26 1.120 2.738 3.769 1.00 0.00 N ATOM 184 CA GLU A 26 0.923 2.827 5.212 1.00 0.00 C ATOM 185 C GLU A 26 0.073 4.048 5.590 1.00 0.00 C ATOM 186 O GLU A 26 -0.785 3.931 6.468 1.00 0.00 O ATOM 187 CB GLU A 26 2.334 2.777 5.814 1.00 0.00 C ATOM 188 CG GLU A 26 2.527 2.635 7.329 1.00 0.00 C ATOM 189 CD GLU A 26 3.914 2.004 7.595 1.00 0.00 C ATOM 190 OE1 GLU A 26 4.876 2.265 6.835 1.00 0.00 O ATOM 191 OE2 GLU A 26 4.051 1.145 8.506 1.00 0.00 O ATOM 0 H GLU A 26 2.098 2.856 3.504 1.00 0.00 H new ATOM 0 HA GLU A 26 0.337 2.005 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.856 1.944 5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.847 3.688 5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.456 3.610 7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.740 2.011 7.753 1.00 0.00 H new ATOM 198 N GLU A 27 0.214 5.176 4.876 1.00 0.00 N ATOM 199 CA GLU A 27 -0.681 6.324 5.065 1.00 0.00 C ATOM 200 C GLU A 27 -1.971 6.147 4.278 1.00 0.00 C ATOM 201 O GLU A 27 -3.033 6.572 4.739 1.00 0.00 O ATOM 202 CB GLU A 27 0.016 7.656 4.750 1.00 0.00 C ATOM 203 CG GLU A 27 0.042 8.202 3.316 1.00 0.00 C ATOM 204 CD GLU A 27 -1.287 8.797 2.847 1.00 0.00 C ATOM 205 OE1 GLU A 27 -1.802 9.751 3.462 1.00 0.00 O ATOM 206 OE2 GLU A 27 -1.781 8.314 1.797 1.00 0.00 O ATOM 0 H GLU A 27 0.935 5.315 4.168 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.949 6.363 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.449 8.418 5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.051 7.562 5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.815 8.967 3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.326 7.397 2.638 1.00 0.00 H new ATOM 213 N THR A 28 -1.875 5.518 3.104 1.00 0.00 N ATOM 214 CA THR A 28 -3.034 5.242 2.267 1.00 0.00 C ATOM 215 C THR A 28 -4.051 4.447 3.081 1.00 0.00 C ATOM 216 O THR A 28 -5.191 4.874 3.208 1.00 0.00 O ATOM 217 CB THR A 28 -2.631 4.481 0.994 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.556 5.104 0.330 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.776 4.285 -0.010 1.00 0.00 C ATOM 0 H THR A 28 -0.993 5.189 2.712 1.00 0.00 H new ATOM 0 HA THR A 28 -3.480 6.184 1.948 1.00 0.00 H new ATOM 0 HB THR A 28 -2.333 3.497 1.355 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.725 4.932 0.820 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.408 3.740 -0.879 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.579 3.718 0.461 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.154 5.258 -0.325 1.00 0.00 H new ATOM 227 N PHE A 29 -3.656 3.303 3.647 1.00 0.00 N ATOM 228 CA PHE A 29 -4.555 2.452 4.408 1.00 0.00 C ATOM 229 C PHE A 29 -5.198 3.268 5.535 1.00 0.00 C ATOM 230 O PHE A 29 -6.422 3.256 5.668 1.00 0.00 O ATOM 231 CB PHE A 29 -3.808 1.193 4.893 1.00 0.00 C ATOM 232 CG PHE A 29 -3.809 -0.011 3.942 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.878 0.131 2.538 1.00 0.00 C ATOM 234 CD2 PHE A 29 -3.750 -1.314 4.478 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.866 -1.003 1.699 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.705 -2.447 3.643 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.751 -2.297 2.245 1.00 0.00 C ATOM 0 H PHE A 29 -2.702 2.947 3.586 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.370 2.092 3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.773 1.467 5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.246 0.880 5.841 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.941 1.117 2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.739 -1.446 5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.946 -0.878 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.635 -3.434 4.077 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.699 -3.161 1.599 1.00 0.00 H new ATOM 247 N ALA A 30 -4.415 4.051 6.282 1.00 0.00 N ATOM 248 CA ALA A 30 -4.942 4.884 7.356 1.00 0.00 C ATOM 249 C ALA A 30 -5.964 5.928 6.875 1.00 0.00 C ATOM 250 O ALA A 30 -6.936 6.182 7.589 1.00 0.00 O ATOM 251 CB ALA A 30 -3.785 5.559 8.085 1.00 0.00 C ATOM 0 H ALA A 30 -3.405 4.122 6.157 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.485 4.229 8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.176 6.183 8.889 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.126 4.799 8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.225 6.179 7.384 1.00 0.00 H new ATOM 257 N GLN A 31 -5.823 6.497 5.671 1.00 0.00 N ATOM 258 CA GLN A 31 -6.786 7.460 5.122 1.00 0.00 C ATOM 259 C GLN A 31 -8.177 6.856 4.929 1.00 0.00 C ATOM 260 O GLN A 31 -9.153 7.594 4.808 1.00 0.00 O ATOM 261 CB GLN A 31 -6.290 8.012 3.770 1.00 0.00 C ATOM 262 CG GLN A 31 -6.020 9.517 3.883 1.00 0.00 C ATOM 263 CD GLN A 31 -5.569 10.174 2.589 1.00 0.00 C ATOM 264 OE1 GLN A 31 -6.361 10.712 1.817 1.00 0.00 O ATOM 265 NE2 GLN A 31 -4.276 10.237 2.354 1.00 0.00 N ATOM 0 H GLN A 31 -5.038 6.303 5.050 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.864 8.265 5.853 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.380 7.493 3.468 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.035 7.825 2.997 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.927 10.011 4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.257 9.681 4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.619 9.791 2.994 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.931 10.732 1.532 1.00 0.00 H new ATOM 274 N PHE A 32 -8.270 5.529 4.910 1.00 0.00 N ATOM 275 CA PHE A 32 -9.486 4.765 4.710 1.00 0.00 C ATOM 276 C PHE A 32 -9.764 3.878 5.932 1.00 0.00 C ATOM 277 O PHE A 32 -10.523 2.911 5.860 1.00 0.00 O ATOM 278 CB PHE A 32 -9.333 3.968 3.414 1.00 0.00 C ATOM 279 CG PHE A 32 -9.296 4.801 2.145 1.00 0.00 C ATOM 280 CD1 PHE A 32 -8.081 5.272 1.623 1.00 0.00 C ATOM 281 CD2 PHE A 32 -10.481 5.063 1.440 1.00 0.00 C ATOM 282 CE1 PHE A 32 -8.060 6.026 0.447 1.00 0.00 C ATOM 283 CE2 PHE A 32 -10.472 5.831 0.269 1.00 0.00 C ATOM 284 CZ PHE A 32 -9.257 6.349 -0.205 1.00 0.00 C ATOM 0 H PHE A 32 -7.453 4.932 5.041 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.352 5.419 4.611 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.416 3.382 3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.159 3.260 3.341 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.156 5.050 2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.416 4.666 1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.118 6.361 0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.391 6.023 -0.264 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.245 6.995 -1.070 1.00 0.00 H new ATOM 294 N SER A 33 -9.125 4.185 7.068 1.00 0.00 N ATOM 295 CA SER A 33 -9.329 3.510 8.348 1.00 0.00 C ATOM 296 C SER A 33 -8.806 2.065 8.343 1.00 0.00 C ATOM 297 O SER A 33 -9.165 1.270 9.220 1.00 0.00 O ATOM 298 CB SER A 33 -10.828 3.561 8.721 1.00 0.00 C ATOM 299 OG SER A 33 -11.057 3.856 10.089 1.00 0.00 O ATOM 0 H SER A 33 -8.432 4.932 7.119 1.00 0.00 H new ATOM 0 HA SER A 33 -8.748 4.038 9.104 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.322 4.314 8.107 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.287 2.602 8.482 1.00 0.00 H new ATOM 0 HG SER A 33 -12.021 3.876 10.262 1.00 0.00 H new ATOM 305 N ILE A 34 -8.034 1.654 7.337 1.00 0.00 N ATOM 306 CA ILE A 34 -7.716 0.251 7.093 1.00 0.00 C ATOM 307 C ILE A 34 -6.584 -0.130 8.052 1.00 0.00 C ATOM 308 O ILE A 34 -5.628 0.641 8.178 1.00 0.00 O ATOM 309 CB ILE A 34 -7.316 0.017 5.618 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.398 0.513 4.637 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.012 -1.467 5.344 1.00 0.00 C ATOM 312 CD1 ILE A 34 -7.976 0.479 3.165 1.00 0.00 C ATOM 0 H ILE A 34 -7.609 2.292 6.664 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.588 -0.377 7.273 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.410 0.600 5.452 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.292 -0.098 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.671 1.535 4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.734 -1.594 4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.189 -1.793 5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.897 -2.066 5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.794 0.844 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.101 1.114 3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.732 -0.544 2.880 1.00 0.00 H new ATOM 324 N PRO A 35 -6.631 -1.308 8.698 1.00 0.00 N ATOM 325 CA PRO A 35 -5.492 -1.833 9.430 1.00 0.00 C ATOM 326 C PRO A 35 -4.356 -2.140 8.461 1.00 0.00 C ATOM 327 O PRO A 35 -4.431 -3.076 7.659 1.00 0.00 O ATOM 328 CB PRO A 35 -5.989 -3.088 10.139 1.00 0.00 C ATOM 329 CG PRO A 35 -7.139 -3.566 9.258 1.00 0.00 C ATOM 330 CD PRO A 35 -7.731 -2.261 8.725 1.00 0.00 C ATOM 0 HA PRO A 35 -5.100 -1.120 10.155 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.205 -3.841 10.218 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.325 -2.870 11.153 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.788 -4.209 8.451 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.872 -4.139 9.827 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.152 -2.401 7.729 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.539 -1.908 9.366 1.00 0.00 H new ATOM 338 N TYR A 36 -3.307 -1.331 8.518 1.00 0.00 N ATOM 339 CA TYR A 36 -2.055 -1.658 7.875 1.00 0.00 C ATOM 340 C TYR A 36 -1.289 -2.624 8.778 1.00 0.00 C ATOM 341 O TYR A 36 -1.489 -2.669 9.993 1.00 0.00 O ATOM 342 CB TYR A 36 -1.282 -0.367 7.611 1.00 0.00 C ATOM 343 CG TYR A 36 -0.089 -0.551 6.710 1.00 0.00 C ATOM 344 CD1 TYR A 36 -0.243 -0.617 5.314 1.00 0.00 C ATOM 345 CD2 TYR A 36 1.190 -0.628 7.274 1.00 0.00 C ATOM 346 CE1 TYR A 36 0.884 -0.732 4.488 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.313 -0.768 6.456 1.00 0.00 C ATOM 348 CZ TYR A 36 2.174 -0.794 5.055 1.00 0.00 C ATOM 349 OH TYR A 36 3.272 -0.806 4.256 1.00 0.00 O ATOM 0 H TYR A 36 -3.306 -0.437 9.009 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.212 -2.147 6.914 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.955 0.364 7.164 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.948 0.047 8.562 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.230 -0.579 4.878 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.309 -0.579 8.346 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.764 -0.773 3.415 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.293 -0.857 6.900 1.00 0.00 H new ATOM 0 HH TYR A 36 3.386 0.076 3.844 1.00 0.00 H new ATOM 359 N ASP A 37 -0.390 -3.398 8.178 1.00 0.00 N ATOM 360 CA ASP A 37 0.608 -4.185 8.881 1.00 0.00 C ATOM 361 C ASP A 37 1.751 -4.357 7.898 1.00 0.00 C ATOM 362 O ASP A 37 1.621 -5.135 6.951 1.00 0.00 O ATOM 363 CB ASP A 37 0.070 -5.567 9.311 1.00 0.00 C ATOM 364 CG ASP A 37 -0.602 -5.614 10.687 1.00 0.00 C ATOM 365 OD1 ASP A 37 0.089 -5.413 11.710 1.00 0.00 O ATOM 366 OD2 ASP A 37 -1.772 -6.062 10.772 1.00 0.00 O ATOM 0 H ASP A 37 -0.337 -3.495 7.164 1.00 0.00 H new ATOM 0 HA ASP A 37 0.912 -3.683 9.800 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.647 -5.907 8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.897 -6.277 9.305 1.00 0.00 H new ATOM 371 N LYS A 38 2.860 -3.634 8.099 1.00 0.00 N ATOM 372 CA LYS A 38 4.040 -3.664 7.226 1.00 0.00 C ATOM 373 C LYS A 38 4.419 -5.106 6.892 1.00 0.00 C ATOM 374 O LYS A 38 4.643 -5.427 5.725 1.00 0.00 O ATOM 375 CB LYS A 38 5.173 -2.899 7.929 1.00 0.00 C ATOM 376 CG LYS A 38 6.496 -2.766 7.166 1.00 0.00 C ATOM 377 CD LYS A 38 6.458 -1.980 5.847 1.00 0.00 C ATOM 378 CE LYS A 38 5.965 -0.529 5.923 1.00 0.00 C ATOM 379 NZ LYS A 38 6.803 0.397 6.714 1.00 0.00 N ATOM 0 H LYS A 38 2.964 -2.998 8.890 1.00 0.00 H new ATOM 0 HA LYS A 38 3.833 -3.177 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.813 -1.897 8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.377 -3.392 8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.222 -2.289 7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.868 -3.768 6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.463 -1.976 5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.820 -2.520 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.885 -0.139 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.960 -0.529 6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.314 1.309 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.974 -0.008 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.712 0.542 6.230 1.00 0.00 H new ATOM 393 N GLU A 39 4.407 -5.971 7.898 1.00 0.00 N ATOM 394 CA GLU A 39 4.619 -7.405 7.799 1.00 0.00 C ATOM 395 C GLU A 39 3.724 -8.066 6.750 1.00 0.00 C ATOM 396 O GLU A 39 4.240 -8.712 5.835 1.00 0.00 O ATOM 397 CB GLU A 39 4.365 -8.023 9.180 1.00 0.00 C ATOM 398 CG GLU A 39 5.624 -8.058 10.041 1.00 0.00 C ATOM 399 CD GLU A 39 6.421 -9.326 9.723 1.00 0.00 C ATOM 400 OE1 GLU A 39 7.056 -9.378 8.646 1.00 0.00 O ATOM 401 OE2 GLU A 39 6.329 -10.285 10.532 1.00 0.00 O ATOM 0 H GLU A 39 4.239 -5.671 8.858 1.00 0.00 H new ATOM 0 HA GLU A 39 5.645 -7.579 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.592 -7.452 9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.984 -9.037 9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.233 -7.175 9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.356 -8.039 11.097 1.00 0.00 H new ATOM 408 N LYS A 40 2.393 -7.982 6.904 1.00 0.00 N ATOM 409 CA LYS A 40 1.478 -8.700 6.019 1.00 0.00 C ATOM 410 C LYS A 40 1.544 -8.103 4.615 1.00 0.00 C ATOM 411 O LYS A 40 1.413 -8.830 3.637 1.00 0.00 O ATOM 412 CB LYS A 40 0.024 -8.651 6.523 1.00 0.00 C ATOM 413 CG LYS A 40 -0.189 -8.918 8.021 1.00 0.00 C ATOM 414 CD LYS A 40 0.235 -10.289 8.565 1.00 0.00 C ATOM 415 CE LYS A 40 1.596 -10.160 9.264 1.00 0.00 C ATOM 416 NZ LYS A 40 1.900 -11.295 10.165 1.00 0.00 N ATOM 0 H LYS A 40 1.935 -7.428 7.628 1.00 0.00 H new ATOM 0 HA LYS A 40 1.792 -9.744 6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.386 -7.668 6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.558 -9.381 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.351 -8.153 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.248 -8.783 8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.512 -10.662 9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.298 -11.012 7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.379 -10.084 8.509 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.616 -9.234 9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.831 -11.149 10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.172 -11.355 10.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.911 -12.179 9.618 1.00 0.00 H new ATOM 430 N VAL A 41 1.692 -6.784 4.501 1.00 0.00 N ATOM 431 CA VAL A 41 1.698 -6.072 3.233 1.00 0.00 C ATOM 432 C VAL A 41 2.973 -6.420 2.451 1.00 0.00 C ATOM 433 O VAL A 41 2.839 -6.709 1.263 1.00 0.00 O ATOM 434 CB VAL A 41 1.479 -4.568 3.495 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.502 -3.753 2.199 1.00 0.00 C ATOM 436 CG2 VAL A 41 0.095 -4.329 4.136 1.00 0.00 C ATOM 0 H VAL A 41 1.813 -6.171 5.307 1.00 0.00 H new ATOM 0 HA VAL A 41 0.874 -6.384 2.591 1.00 0.00 H new ATOM 0 HB VAL A 41 2.289 -4.253 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.344 -2.699 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.468 -3.877 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.711 -4.102 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.044 -3.263 4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.684 -4.689 3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.035 -4.866 5.082 1.00 0.00 H new ATOM 446 N ARG A 42 4.164 -6.470 3.081 1.00 0.00 N ATOM 447 CA ARG A 42 5.415 -6.954 2.467 1.00 0.00 C ATOM 448 C ARG A 42 5.174 -8.280 1.753 1.00 0.00 C ATOM 449 O ARG A 42 5.575 -8.439 0.599 1.00 0.00 O ATOM 450 CB ARG A 42 6.532 -7.165 3.518 1.00 0.00 C ATOM 451 CG ARG A 42 7.401 -5.961 3.893 1.00 0.00 C ATOM 452 CD ARG A 42 8.549 -6.475 4.776 1.00 0.00 C ATOM 453 NE ARG A 42 9.669 -5.528 4.882 1.00 0.00 N ATOM 454 CZ ARG A 42 10.749 -5.456 4.087 1.00 0.00 C ATOM 455 NH1 ARG A 42 10.860 -6.183 2.985 1.00 0.00 N ATOM 456 NH2 ARG A 42 11.725 -4.608 4.385 1.00 0.00 N ATOM 0 H ARG A 42 4.285 -6.169 4.048 1.00 0.00 H new ATOM 0 HA ARG A 42 5.736 -6.189 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.066 -7.538 4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.191 -7.952 3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.793 -5.478 2.998 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.812 -5.215 4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.164 -6.686 5.774 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.916 -7.418 4.370 1.00 0.00 H new ATOM 0 HE ARG A 42 9.620 -4.851 5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.111 -6.822 2.718 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.694 -6.104 2.404 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.652 -4.017 5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.549 -4.547 3.786 1.00 0.00 H new ATOM 470 N GLU A 43 4.543 -9.236 2.437 1.00 0.00 N ATOM 471 CA GLU A 43 4.293 -10.545 1.849 1.00 0.00 C ATOM 472 C GLU A 43 3.228 -10.456 0.754 1.00 0.00 C ATOM 473 O GLU A 43 3.398 -11.048 -0.309 1.00 0.00 O ATOM 474 CB GLU A 43 3.892 -11.547 2.944 1.00 0.00 C ATOM 475 CG GLU A 43 4.183 -12.996 2.528 1.00 0.00 C ATOM 476 CD GLU A 43 5.653 -13.373 2.748 1.00 0.00 C ATOM 477 OE1 GLU A 43 6.530 -12.906 1.980 1.00 0.00 O ATOM 478 OE2 GLU A 43 5.917 -14.160 3.685 1.00 0.00 O ATOM 0 H GLU A 43 4.200 -9.126 3.391 1.00 0.00 H new ATOM 0 HA GLU A 43 5.211 -10.902 1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.433 -11.317 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.830 -11.439 3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.546 -13.672 3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.928 -13.129 1.477 1.00 0.00 H new ATOM 485 N PHE A 44 2.130 -9.731 0.991 1.00 0.00 N ATOM 486 CA PHE A 44 1.012 -9.658 0.060 1.00 0.00 C ATOM 487 C PHE A 44 1.462 -9.128 -1.305 1.00 0.00 C ATOM 488 O PHE A 44 1.140 -9.731 -2.327 1.00 0.00 O ATOM 489 CB PHE A 44 -0.131 -8.821 0.652 1.00 0.00 C ATOM 490 CG PHE A 44 -1.402 -8.867 -0.179 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.468 -8.153 -1.389 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.514 -9.632 0.231 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.633 -8.187 -2.167 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.695 -9.630 -0.540 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.767 -8.875 -1.724 1.00 0.00 C ATOM 0 H PHE A 44 1.996 -9.179 1.838 1.00 0.00 H new ATOM 0 HA PHE A 44 0.632 -10.667 -0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.350 -9.178 1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.197 -7.786 0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.617 -7.576 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.461 -10.219 1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.655 -7.677 -3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.547 -10.211 -0.220 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.688 -8.827 -2.285 1.00 0.00 H new ATOM 505 N ILE A 45 2.209 -8.018 -1.359 1.00 0.00 N ATOM 506 CA ILE A 45 2.687 -7.484 -2.640 1.00 0.00 C ATOM 507 C ILE A 45 3.504 -8.527 -3.419 1.00 0.00 C ATOM 508 O ILE A 45 3.365 -8.607 -4.641 1.00 0.00 O ATOM 509 CB ILE A 45 3.440 -6.140 -2.481 1.00 0.00 C ATOM 510 CG1 ILE A 45 4.708 -6.254 -1.604 1.00 0.00 C ATOM 511 CG2 ILE A 45 2.462 -5.074 -1.950 1.00 0.00 C ATOM 512 CD1 ILE A 45 5.570 -4.992 -1.543 1.00 0.00 C ATOM 0 H ILE A 45 2.493 -7.478 -0.541 1.00 0.00 H new ATOM 0 HA ILE A 45 1.803 -7.261 -3.238 1.00 0.00 H new ATOM 0 HB ILE A 45 3.805 -5.837 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.407 -6.519 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.319 -7.075 -1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.985 -4.125 -1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.639 -4.952 -2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.069 -5.390 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.434 -5.172 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.908 -4.733 -2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.983 -4.170 -1.135 1.00 0.00 H new ATOM 524 N PHE A 46 4.292 -9.366 -2.740 1.00 0.00 N ATOM 525 CA PHE A 46 5.003 -10.472 -3.368 1.00 0.00 C ATOM 526 C PHE A 46 4.035 -11.559 -3.838 1.00 0.00 C ATOM 527 O PHE A 46 4.174 -12.053 -4.956 1.00 0.00 O ATOM 528 CB PHE A 46 6.050 -11.036 -2.398 1.00 0.00 C ATOM 529 CG PHE A 46 7.429 -10.478 -2.664 1.00 0.00 C ATOM 530 CD1 PHE A 46 8.227 -11.064 -3.663 1.00 0.00 C ATOM 531 CD2 PHE A 46 7.896 -9.354 -1.961 1.00 0.00 C ATOM 532 CE1 PHE A 46 9.516 -10.567 -3.914 1.00 0.00 C ATOM 533 CE2 PHE A 46 9.174 -8.838 -2.236 1.00 0.00 C ATOM 534 CZ PHE A 46 9.995 -9.462 -3.191 1.00 0.00 C ATOM 0 H PHE A 46 4.452 -9.293 -1.735 1.00 0.00 H new ATOM 0 HA PHE A 46 5.517 -10.098 -4.254 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.757 -10.805 -1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.076 -12.122 -2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.848 -11.897 -4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.274 -8.888 -1.211 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.139 -11.034 -4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.526 -7.961 -1.713 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.994 -9.092 -3.369 1.00 0.00 H new ATOM 544 N LYS A 47 3.073 -11.947 -3.000 1.00 0.00 N ATOM 545 CA LYS A 47 2.128 -13.032 -3.266 1.00 0.00 C ATOM 546 C LYS A 47 1.153 -12.716 -4.394 1.00 0.00 C ATOM 547 O LYS A 47 0.646 -13.652 -5.023 1.00 0.00 O ATOM 548 CB LYS A 47 1.325 -13.311 -1.989 1.00 0.00 C ATOM 549 CG LYS A 47 2.095 -14.185 -0.992 1.00 0.00 C ATOM 550 CD LYS A 47 1.318 -14.378 0.319 1.00 0.00 C ATOM 551 CE LYS A 47 0.205 -15.433 0.231 1.00 0.00 C ATOM 552 NZ LYS A 47 0.724 -16.817 0.185 1.00 0.00 N ATOM 0 H LYS A 47 2.926 -11.503 -2.093 1.00 0.00 H new ATOM 0 HA LYS A 47 2.712 -13.898 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.065 -12.365 -1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.389 -13.804 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.296 -15.157 -1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.061 -13.727 -0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.016 -14.665 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.880 -13.425 0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.457 -15.327 1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.396 -15.246 -0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.072 -17.484 0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.334 -16.931 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.275 -17.010 1.046 1.00 0.00 H new ATOM 566 N TYR A 48 0.821 -11.441 -4.604 1.00 0.00 N ATOM 567 CA TYR A 48 -0.227 -11.064 -5.538 1.00 0.00 C ATOM 568 C TYR A 48 0.269 -9.866 -6.353 1.00 0.00 C ATOM 569 O TYR A 48 1.015 -10.093 -7.310 1.00 0.00 O ATOM 570 CB TYR A 48 -1.510 -10.803 -4.717 1.00 0.00 C ATOM 571 CG TYR A 48 -1.872 -11.909 -3.729 1.00 0.00 C ATOM 572 CD1 TYR A 48 -2.445 -13.107 -4.182 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.580 -11.769 -2.359 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.755 -14.141 -3.279 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.912 -12.778 -1.440 1.00 0.00 C ATOM 576 CZ TYR A 48 -2.516 -13.967 -1.897 1.00 0.00 C ATOM 577 OH TYR A 48 -2.792 -14.951 -0.997 1.00 0.00 O ATOM 0 H TYR A 48 1.268 -10.653 -4.135 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.469 -11.843 -6.261 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.390 -9.869 -4.168 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.343 -10.663 -5.406 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.650 -13.237 -5.234 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.093 -10.871 -2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.175 -15.067 -3.642 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.706 -12.644 -0.388 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.559 -14.645 -0.096 1.00 0.00 H new ATOM 587 N SER A 49 0.061 -8.627 -5.885 1.00 0.00 N ATOM 588 CA SER A 49 0.662 -7.371 -6.327 1.00 0.00 C ATOM 589 C SER A 49 -0.006 -6.212 -5.570 1.00 0.00 C ATOM 590 O SER A 49 -0.813 -6.416 -4.658 1.00 0.00 O ATOM 591 CB SER A 49 0.605 -7.147 -7.854 1.00 0.00 C ATOM 592 OG SER A 49 1.604 -6.214 -8.227 1.00 0.00 O ATOM 0 H SER A 49 -0.593 -8.470 -5.118 1.00 0.00 H new ATOM 0 HA SER A 49 1.726 -7.418 -6.094 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.758 -8.091 -8.378 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.379 -6.778 -8.143 1.00 0.00 H new ATOM 0 HG SER A 49 1.572 -6.070 -9.196 1.00 0.00 H new ATOM 598 N VAL A 50 0.363 -4.988 -5.944 1.00 0.00 N ATOM 599 CA VAL A 50 -0.109 -3.730 -5.387 1.00 0.00 C ATOM 600 C VAL A 50 -1.553 -3.450 -5.807 1.00 0.00 C ATOM 601 O VAL A 50 -2.348 -3.078 -4.946 1.00 0.00 O ATOM 602 CB VAL A 50 0.885 -2.620 -5.804 1.00 0.00 C ATOM 603 CG1 VAL A 50 0.430 -1.197 -5.460 1.00 0.00 C ATOM 604 CG2 VAL A 50 2.254 -2.841 -5.134 1.00 0.00 C ATOM 0 H VAL A 50 1.042 -4.844 -6.691 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.136 -3.772 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 50 0.944 -2.699 -6.890 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.186 -0.484 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.512 -0.984 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.292 -1.110 -4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.940 -2.051 -5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.136 -2.821 -4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.656 -3.808 -5.438 1.00 0.00 H new ATOM 614 N GLN A 51 -1.911 -3.641 -7.083 1.00 0.00 N ATOM 615 CA GLN A 51 -3.270 -3.429 -7.577 1.00 0.00 C ATOM 616 C GLN A 51 -4.259 -4.280 -6.784 1.00 0.00 C ATOM 617 O GLN A 51 -5.295 -3.775 -6.357 1.00 0.00 O ATOM 618 CB GLN A 51 -3.308 -3.680 -9.094 1.00 0.00 C ATOM 619 CG GLN A 51 -4.708 -3.669 -9.724 1.00 0.00 C ATOM 620 CD GLN A 51 -5.285 -5.073 -9.864 1.00 0.00 C ATOM 621 OE1 GLN A 51 -6.123 -5.489 -8.934 1.00 0.00 O flip ATOM 622 NE2 GLN A 51 -4.960 -5.793 -10.810 1.00 0.00 N flip ATOM 0 H GLN A 51 -1.258 -3.949 -7.804 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.578 -2.395 -7.423 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.699 -2.922 -9.587 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.843 -4.644 -9.298 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.376 -3.063 -9.112 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.660 -3.198 -10.706 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.310 -5.446 -11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.341 -6.736 -10.888 1.00 0.00 H new ATOM 631 N ASP A 52 -3.942 -5.552 -6.558 1.00 0.00 N ATOM 632 CA ASP A 52 -4.782 -6.459 -5.778 1.00 0.00 C ATOM 633 C ASP A 52 -4.916 -5.875 -4.386 1.00 0.00 C ATOM 634 O ASP A 52 -6.031 -5.638 -3.943 1.00 0.00 O ATOM 635 CB ASP A 52 -4.183 -7.873 -5.812 1.00 0.00 C ATOM 636 CG ASP A 52 -5.177 -8.980 -5.464 1.00 0.00 C ATOM 637 OD1 ASP A 52 -5.855 -8.923 -4.421 1.00 0.00 O ATOM 638 OD2 ASP A 52 -5.253 -9.977 -6.221 1.00 0.00 O ATOM 0 H ASP A 52 -3.090 -5.986 -6.913 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.785 -6.557 -6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.780 -8.061 -6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.346 -7.918 -5.115 1.00 0.00 H new ATOM 643 N LEU A 53 -3.816 -5.472 -3.740 1.00 0.00 N ATOM 644 CA LEU A 53 -3.856 -4.942 -2.377 1.00 0.00 C ATOM 645 C LEU A 53 -4.591 -3.601 -2.253 1.00 0.00 C ATOM 646 O LEU A 53 -4.748 -3.095 -1.150 1.00 0.00 O ATOM 647 CB LEU A 53 -2.413 -4.823 -1.849 1.00 0.00 C ATOM 648 CG LEU A 53 -2.252 -4.627 -0.316 1.00 0.00 C ATOM 649 CD1 LEU A 53 -1.798 -3.193 -0.034 1.00 0.00 C ATOM 650 CD2 LEU A 53 -3.297 -5.357 0.541 1.00 0.00 C ATOM 0 H LEU A 53 -2.881 -5.504 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.432 -5.642 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.868 -5.722 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.933 -3.984 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.422 -5.198 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.684 -3.052 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.843 -3.010 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.543 -2.494 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.104 -5.161 1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.294 -5.000 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.236 -6.429 0.354 1.00 0.00 H new ATOM 662 N LEU A 54 -5.031 -2.994 -3.348 1.00 0.00 N ATOM 663 CA LEU A 54 -5.940 -1.850 -3.315 1.00 0.00 C ATOM 664 C LEU A 54 -7.366 -2.330 -3.585 1.00 0.00 C ATOM 665 O LEU A 54 -8.239 -2.047 -2.768 1.00 0.00 O ATOM 666 CB LEU A 54 -5.473 -0.752 -4.288 1.00 0.00 C ATOM 667 CG LEU A 54 -4.034 -0.243 -4.050 1.00 0.00 C ATOM 668 CD1 LEU A 54 -3.486 0.442 -5.307 1.00 0.00 C ATOM 669 CD2 LEU A 54 -3.937 0.732 -2.873 1.00 0.00 C ATOM 0 H LEU A 54 -4.767 -3.281 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.931 -1.393 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.544 -1.135 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.158 0.093 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.438 -1.123 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.472 0.793 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.476 -0.269 -6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.121 1.290 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.903 1.056 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.569 1.599 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.270 0.236 -1.961 1.00 0.00 H new ATOM 681 N VAL A 55 -7.605 -3.081 -4.669 1.00 0.00 N ATOM 682 CA VAL A 55 -8.935 -3.603 -5.015 1.00 0.00 C ATOM 683 C VAL A 55 -9.516 -4.418 -3.862 1.00 0.00 C ATOM 684 O VAL A 55 -10.615 -4.157 -3.376 1.00 0.00 O ATOM 685 CB VAL A 55 -8.882 -4.441 -6.312 1.00 0.00 C ATOM 686 CG1 VAL A 55 -10.240 -5.087 -6.626 1.00 0.00 C ATOM 687 CG2 VAL A 55 -8.457 -3.602 -7.526 1.00 0.00 C ATOM 0 H VAL A 55 -6.878 -3.345 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.593 -2.753 -5.193 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.138 -5.216 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.163 -5.668 -7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.529 -5.743 -5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.993 -4.309 -6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.434 -4.233 -8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.170 -2.791 -7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.465 -3.185 -7.351 1.00 0.00 H new ATOM 697 N ARG A 56 -8.757 -5.426 -3.448 1.00 0.00 N ATOM 698 CA ARG A 56 -9.108 -6.467 -2.492 1.00 0.00 C ATOM 699 C ARG A 56 -9.731 -5.941 -1.224 1.00 0.00 C ATOM 700 O ARG A 56 -10.665 -6.526 -0.677 1.00 0.00 O ATOM 701 CB ARG A 56 -7.936 -7.404 -2.355 1.00 0.00 C ATOM 702 CG ARG A 56 -6.892 -7.023 -1.366 1.00 0.00 C ATOM 703 CD ARG A 56 -7.182 -7.703 -0.047 1.00 0.00 C ATOM 704 NE ARG A 56 -7.126 -9.164 -0.117 1.00 0.00 N ATOM 705 CZ ARG A 56 -7.724 -10.013 0.712 1.00 0.00 C ATOM 706 NH1 ARG A 56 -8.103 -9.619 1.922 1.00 0.00 N ATOM 707 NH2 ARG A 56 -7.936 -11.249 0.291 1.00 0.00 N ATOM 0 H ARG A 56 -7.807 -5.545 -3.800 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.934 -7.070 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.317 -8.389 -2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.461 -7.501 -3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.907 -7.314 -1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.876 -5.941 -1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.465 -7.355 0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.171 -7.402 0.298 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.576 -9.569 -0.874 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.936 -8.658 2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.561 -10.277 2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.643 -11.526 -0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.393 -11.925 0.903 1.00 0.00 H new ATOM 721 N VAL A 57 -9.127 -4.885 -0.716 1.00 0.00 N ATOM 722 CA VAL A 57 -9.493 -4.289 0.537 1.00 0.00 C ATOM 723 C VAL A 57 -10.540 -3.209 0.312 1.00 0.00 C ATOM 724 O VAL A 57 -11.468 -3.125 1.103 1.00 0.00 O ATOM 725 CB VAL A 57 -8.189 -3.809 1.164 1.00 0.00 C ATOM 726 CG1 VAL A 57 -7.424 -2.832 0.273 1.00 0.00 C ATOM 727 CG2 VAL A 57 -8.415 -3.232 2.548 1.00 0.00 C ATOM 0 H VAL A 57 -8.351 -4.413 -1.180 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.972 -4.981 1.229 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.558 -4.692 1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.505 -2.526 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.178 -3.317 -0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.042 -1.955 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.464 -2.900 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.097 -2.385 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.847 -3.996 3.195 1.00 0.00 H new ATOM 737 N ALA A 58 -10.433 -2.415 -0.757 1.00 0.00 N ATOM 738 CA ALA A 58 -11.416 -1.387 -1.077 1.00 0.00 C ATOM 739 C ALA A 58 -12.802 -1.996 -1.203 1.00 0.00 C ATOM 740 O ALA A 58 -13.727 -1.542 -0.533 1.00 0.00 O ATOM 741 CB ALA A 58 -11.063 -0.659 -2.377 1.00 0.00 C ATOM 0 H ALA A 58 -9.661 -2.470 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.407 -0.665 -0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.817 0.100 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.088 -0.183 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.033 -1.375 -3.198 1.00 0.00 H new ATOM 747 N GLU A 59 -12.918 -3.046 -2.013 1.00 0.00 N ATOM 748 CA GLU A 59 -14.151 -3.773 -2.259 1.00 0.00 C ATOM 749 C GLU A 59 -14.772 -4.170 -0.918 1.00 0.00 C ATOM 750 O GLU A 59 -15.950 -3.941 -0.648 1.00 0.00 O ATOM 751 CB GLU A 59 -13.816 -5.009 -3.106 1.00 0.00 C ATOM 752 CG GLU A 59 -15.068 -5.633 -3.731 1.00 0.00 C ATOM 753 CD GLU A 59 -14.937 -7.112 -4.123 1.00 0.00 C ATOM 754 OE1 GLU A 59 -13.863 -7.732 -3.941 1.00 0.00 O ATOM 755 OE2 GLU A 59 -15.932 -7.663 -4.653 1.00 0.00 O ATOM 0 H GLU A 59 -12.125 -3.423 -2.532 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.872 -3.158 -2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.118 -4.729 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.314 -5.750 -2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.894 -5.532 -3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.335 -5.061 -4.620 1.00 0.00 H new ATOM 762 N ASP A 60 -13.945 -4.752 -0.055 1.00 0.00 N ATOM 763 CA ASP A 60 -14.331 -5.303 1.235 1.00 0.00 C ATOM 764 C ASP A 60 -14.736 -4.230 2.246 1.00 0.00 C ATOM 765 O ASP A 60 -15.566 -4.457 3.126 1.00 0.00 O ATOM 766 CB ASP A 60 -13.134 -6.068 1.799 1.00 0.00 C ATOM 767 CG ASP A 60 -13.550 -7.099 2.851 1.00 0.00 C ATOM 768 OD1 ASP A 60 -14.661 -7.669 2.747 1.00 0.00 O ATOM 769 OD2 ASP A 60 -12.746 -7.366 3.784 1.00 0.00 O ATOM 0 H ASP A 60 -12.948 -4.856 -0.245 1.00 0.00 H new ATOM 0 HA ASP A 60 -15.198 -5.945 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.611 -6.572 0.986 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.430 -5.363 2.242 1.00 0.00 H new ATOM 774 N ARG A 61 -14.106 -3.062 2.142 1.00 0.00 N ATOM 775 CA ARG A 61 -14.250 -1.920 3.034 1.00 0.00 C ATOM 776 C ARG A 61 -15.277 -0.917 2.518 1.00 0.00 C ATOM 777 O ARG A 61 -15.438 0.119 3.154 1.00 0.00 O ATOM 778 CB ARG A 61 -12.876 -1.241 3.186 1.00 0.00 C ATOM 779 CG ARG A 61 -11.881 -1.998 4.059 1.00 0.00 C ATOM 780 CD ARG A 61 -12.175 -1.665 5.524 1.00 0.00 C ATOM 781 NE ARG A 61 -11.320 -2.413 6.452 1.00 0.00 N ATOM 782 CZ ARG A 61 -11.347 -3.729 6.676 1.00 0.00 C ATOM 783 NH1 ARG A 61 -12.256 -4.493 6.070 1.00 0.00 N ATOM 784 NH2 ARG A 61 -10.453 -4.260 7.500 1.00 0.00 N ATOM 0 H ARG A 61 -13.444 -2.880 1.388 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.610 -2.276 3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.441 -1.108 2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.023 -0.246 3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.967 -3.071 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.860 -1.715 3.803 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.034 -0.596 5.686 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.220 -1.885 5.741 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.635 -1.873 6.980 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.933 -4.072 5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.274 -5.498 6.243 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.759 -3.665 7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.460 -5.264 7.682 1.00 0.00 H new ATOM 798 N ASN A 62 -15.950 -1.190 1.392 1.00 0.00 N ATOM 799 CA ASN A 62 -16.940 -0.313 0.756 1.00 0.00 C ATOM 800 C ASN A 62 -16.316 0.912 0.068 1.00 0.00 C ATOM 801 O ASN A 62 -17.026 1.841 -0.324 1.00 0.00 O ATOM 802 CB ASN A 62 -18.009 0.123 1.774 1.00 0.00 C ATOM 803 CG ASN A 62 -19.347 0.360 1.110 1.00 0.00 C ATOM 804 OD1 ASN A 62 -20.047 -0.597 0.801 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.710 1.596 0.817 1.00 0.00 N ATOM 0 H ASN A 62 -15.814 -2.062 0.880 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.410 -0.901 -0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.114 -0.643 2.542 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.684 1.035 2.275 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.587 1.767 0.325 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.113 2.379 1.083 1.00 0.00 H new ATOM 812 N LEU A 63 -14.994 0.948 -0.069 1.00 0.00 N ATOM 813 CA LEU A 63 -14.206 2.072 -0.575 1.00 0.00 C ATOM 814 C LEU A 63 -14.195 2.039 -2.102 1.00 0.00 C ATOM 815 O LEU A 63 -14.987 1.323 -2.713 1.00 0.00 O ATOM 816 CB LEU A 63 -12.776 2.028 -0.025 1.00 0.00 C ATOM 817 CG LEU A 63 -12.707 1.730 1.475 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.238 1.506 1.829 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.402 2.790 2.339 1.00 0.00 C ATOM 0 H LEU A 63 -14.410 0.151 0.183 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.663 3.003 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.211 1.268 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.291 2.984 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.274 0.827 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.149 1.290 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.849 0.665 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.666 2.403 1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.315 2.516 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.930 3.759 2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.455 2.849 2.065 1.00 0.00 H new ATOM 831 N ASP A 64 -13.311 2.812 -2.734 1.00 0.00 N ATOM 832 CA ASP A 64 -13.324 2.980 -4.173 1.00 0.00 C ATOM 833 C ASP A 64 -11.856 3.059 -4.570 1.00 0.00 C ATOM 834 O ASP A 64 -11.190 4.067 -4.329 1.00 0.00 O ATOM 835 CB ASP A 64 -14.095 4.235 -4.628 1.00 0.00 C ATOM 836 CG ASP A 64 -14.978 4.958 -3.597 1.00 0.00 C ATOM 837 OD1 ASP A 64 -14.425 5.558 -2.656 1.00 0.00 O ATOM 838 OD2 ASP A 64 -16.225 5.010 -3.725 1.00 0.00 O ATOM 0 H ASP A 64 -12.574 3.333 -2.259 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.845 2.153 -4.655 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.368 4.954 -5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.729 3.950 -5.468 1.00 0.00 H new ATOM 843 N VAL A 65 -11.309 1.966 -5.090 1.00 0.00 N ATOM 844 CA VAL A 65 -9.891 1.785 -5.391 1.00 0.00 C ATOM 845 C VAL A 65 -9.345 2.872 -6.330 1.00 0.00 C ATOM 846 O VAL A 65 -8.142 3.138 -6.333 1.00 0.00 O ATOM 847 CB VAL A 65 -9.686 0.368 -5.960 1.00 0.00 C ATOM 848 CG1 VAL A 65 -10.594 0.156 -7.170 1.00 0.00 C ATOM 849 CG2 VAL A 65 -8.241 0.086 -6.390 1.00 0.00 C ATOM 0 H VAL A 65 -11.866 1.144 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.317 1.890 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.933 -0.319 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.443 -0.848 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.635 0.275 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.353 0.890 -7.939 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.169 -0.929 -6.781 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.947 0.795 -7.164 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.579 0.192 -5.531 1.00 0.00 H new ATOM 859 N GLU A 66 -10.203 3.516 -7.118 1.00 0.00 N ATOM 860 CA GLU A 66 -9.823 4.629 -7.986 1.00 0.00 C ATOM 861 C GLU A 66 -9.306 5.788 -7.122 1.00 0.00 C ATOM 862 O GLU A 66 -8.302 6.429 -7.449 1.00 0.00 O ATOM 863 CB GLU A 66 -11.060 5.082 -8.772 1.00 0.00 C ATOM 864 CG GLU A 66 -11.684 3.981 -9.641 1.00 0.00 C ATOM 865 CD GLU A 66 -10.965 3.769 -10.962 1.00 0.00 C ATOM 866 OE1 GLU A 66 -9.968 3.014 -10.968 1.00 0.00 O ATOM 867 OE2 GLU A 66 -11.470 4.272 -11.995 1.00 0.00 O ATOM 0 H GLU A 66 -11.193 3.277 -7.173 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.040 4.319 -8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.811 5.446 -8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.785 5.922 -9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.684 3.045 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.726 4.233 -9.840 1.00 0.00 H new ATOM 874 N VAL A 67 -9.953 6.024 -5.975 1.00 0.00 N ATOM 875 CA VAL A 67 -9.490 6.982 -4.983 1.00 0.00 C ATOM 876 C VAL A 67 -8.164 6.470 -4.424 1.00 0.00 C ATOM 877 O VAL A 67 -7.186 7.210 -4.419 1.00 0.00 O ATOM 878 CB VAL A 67 -10.532 7.225 -3.866 1.00 0.00 C ATOM 879 CG1 VAL A 67 -10.209 8.510 -3.091 1.00 0.00 C ATOM 880 CG2 VAL A 67 -11.977 7.346 -4.361 1.00 0.00 C ATOM 0 H VAL A 67 -10.817 5.549 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.346 7.954 -5.455 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.463 6.339 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.955 8.661 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.222 8.423 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.221 9.360 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.639 7.515 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.055 8.183 -5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.266 6.426 -4.869 1.00 0.00 H new ATOM 890 N LEU A 68 -8.085 5.204 -3.989 1.00 0.00 N ATOM 891 CA LEU A 68 -6.902 4.615 -3.379 1.00 0.00 C ATOM 892 C LEU A 68 -5.667 4.700 -4.271 1.00 0.00 C ATOM 893 O LEU A 68 -4.562 4.886 -3.766 1.00 0.00 O ATOM 894 CB LEU A 68 -7.175 3.145 -3.050 1.00 0.00 C ATOM 895 CG LEU A 68 -8.099 2.905 -1.855 1.00 0.00 C ATOM 896 CD1 LEU A 68 -9.473 3.529 -1.809 1.00 0.00 C ATOM 897 CD2 LEU A 68 -8.097 1.425 -1.493 1.00 0.00 C ATOM 0 H LEU A 68 -8.866 4.552 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.694 5.188 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.611 2.668 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.223 2.650 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.637 3.513 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.973 3.241 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.381 4.614 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.059 3.183 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.756 1.258 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.449 0.842 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.085 1.115 -1.234 1.00 0.00 H new ATOM 909 N ASN A 69 -5.843 4.570 -5.584 1.00 0.00 N ATOM 910 CA ASN A 69 -4.775 4.697 -6.570 1.00 0.00 C ATOM 911 C ASN A 69 -4.120 6.068 -6.447 1.00 0.00 C ATOM 912 O ASN A 69 -2.898 6.190 -6.491 1.00 0.00 O ATOM 913 CB ASN A 69 -5.334 4.496 -7.990 1.00 0.00 C ATOM 914 CG ASN A 69 -5.129 3.072 -8.472 1.00 0.00 C ATOM 915 OD1 ASN A 69 -4.175 2.798 -9.200 1.00 0.00 O ATOM 916 ND2 ASN A 69 -5.975 2.160 -8.032 1.00 0.00 N ATOM 0 H ASN A 69 -6.752 4.369 -6.000 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.025 3.929 -6.383 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.397 4.735 -8.001 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.845 5.187 -8.676 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.852 1.182 -8.294 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.752 2.433 -7.430 1.00 0.00 H new ATOM 923 N GLN A 70 -4.951 7.095 -6.289 1.00 0.00 N ATOM 924 CA GLN A 70 -4.538 8.480 -6.154 1.00 0.00 C ATOM 925 C GLN A 70 -4.103 8.804 -4.730 1.00 0.00 C ATOM 926 O GLN A 70 -3.165 9.578 -4.553 1.00 0.00 O ATOM 927 CB GLN A 70 -5.693 9.387 -6.584 1.00 0.00 C ATOM 928 CG GLN A 70 -5.634 9.766 -8.064 1.00 0.00 C ATOM 929 CD GLN A 70 -5.373 8.595 -9.008 1.00 0.00 C ATOM 930 OE1 GLN A 70 -4.310 8.525 -9.620 1.00 0.00 O ATOM 931 NE2 GLN A 70 -6.297 7.657 -9.171 1.00 0.00 N ATOM 0 H GLN A 70 -5.963 6.977 -6.251 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.674 8.651 -6.796 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.638 8.884 -6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.679 10.295 -5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.576 10.238 -8.343 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.851 10.511 -8.204 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.179 7.716 -8.662 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.125 6.877 -9.805 1.00 0.00 H new ATOM 940 N VAL A 71 -4.725 8.228 -3.702 1.00 0.00 N ATOM 941 CA VAL A 71 -4.286 8.418 -2.333 1.00 0.00 C ATOM 942 C VAL A 71 -2.863 7.854 -2.216 1.00 0.00 C ATOM 943 O VAL A 71 -1.980 8.546 -1.714 1.00 0.00 O ATOM 944 CB VAL A 71 -5.341 7.868 -1.338 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.722 7.854 0.061 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.531 8.837 -1.268 1.00 0.00 C ATOM 0 H VAL A 71 -5.540 7.623 -3.800 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.217 9.469 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.656 6.876 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.449 7.470 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.839 7.215 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.436 8.867 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.273 8.452 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.186 9.814 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.980 8.934 -2.257 1.00 0.00 H new ATOM 956 N ARG A 72 -2.579 6.687 -2.802 1.00 0.00 N ATOM 957 CA ARG A 72 -1.231 6.120 -2.846 1.00 0.00 C ATOM 958 C ARG A 72 -0.213 7.051 -3.517 1.00 0.00 C ATOM 959 O ARG A 72 0.981 6.926 -3.246 1.00 0.00 O ATOM 960 CB ARG A 72 -1.286 4.720 -3.498 1.00 0.00 C ATOM 961 CG ARG A 72 0.117 4.118 -3.627 1.00 0.00 C ATOM 962 CD ARG A 72 0.173 2.619 -3.958 1.00 0.00 C ATOM 963 NE ARG A 72 1.529 2.221 -4.397 1.00 0.00 N ATOM 964 CZ ARG A 72 2.695 2.448 -3.775 1.00 0.00 C ATOM 965 NH1 ARG A 72 2.744 2.882 -2.517 1.00 0.00 N ATOM 966 NH2 ARG A 72 3.832 2.254 -4.420 1.00 0.00 N ATOM 0 H ARG A 72 -3.282 6.108 -3.261 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.869 6.011 -1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.915 4.061 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.747 4.792 -4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.656 4.663 -4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.651 4.284 -2.691 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.114 2.039 -3.081 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.549 2.389 -4.742 1.00 0.00 H new ATOM 0 HE ARG A 72 1.583 1.712 -5.280 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.880 3.050 -2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.645 3.046 -2.069 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.821 1.933 -5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.721 2.426 -3.950 1.00 0.00 H new ATOM 980 N ALA A 73 -0.644 7.972 -4.380 1.00 0.00 N ATOM 981 CA ALA A 73 0.263 8.905 -5.026 1.00 0.00 C ATOM 982 C ALA A 73 0.689 10.037 -4.082 1.00 0.00 C ATOM 983 O ALA A 73 1.776 10.586 -4.254 1.00 0.00 O ATOM 984 CB ALA A 73 -0.405 9.469 -6.285 1.00 0.00 C ATOM 0 H ALA A 73 -1.622 8.087 -4.645 1.00 0.00 H new ATOM 0 HA ALA A 73 1.170 8.368 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.272 10.170 -6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.638 8.653 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.324 9.985 -6.009 1.00 0.00 H new ATOM 990 N GLN A 74 -0.139 10.433 -3.111 1.00 0.00 N ATOM 991 CA GLN A 74 0.003 11.697 -2.398 1.00 0.00 C ATOM 992 C GLN A 74 0.543 11.491 -0.979 1.00 0.00 C ATOM 993 O GLN A 74 -0.024 11.977 0.002 1.00 0.00 O ATOM 994 CB GLN A 74 -1.302 12.498 -2.532 1.00 0.00 C ATOM 995 CG GLN A 74 -2.560 11.965 -1.846 1.00 0.00 C ATOM 996 CD GLN A 74 -3.806 12.581 -2.477 1.00 0.00 C ATOM 997 OE1 GLN A 74 -4.281 13.638 -2.067 1.00 0.00 O ATOM 998 NE2 GLN A 74 -4.337 11.952 -3.510 1.00 0.00 N ATOM 0 H GLN A 74 -0.934 9.876 -2.798 1.00 0.00 H new ATOM 0 HA GLN A 74 0.774 12.320 -2.852 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.116 13.501 -2.149 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.522 12.598 -3.595 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.598 10.879 -1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.529 12.198 -0.782 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.930 11.076 -3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.154 12.343 -3.980 1.00 0.00 H new ATOM 1007 N SER A 75 1.669 10.785 -0.868 1.00 0.00 N ATOM 1008 CA SER A 75 2.382 10.621 0.394 1.00 0.00 C ATOM 1009 C SER A 75 3.460 11.704 0.536 1.00 0.00 C ATOM 1010 O SER A 75 4.004 12.194 -0.457 1.00 0.00 O ATOM 1011 CB SER A 75 3.024 9.226 0.416 1.00 0.00 C ATOM 1012 OG SER A 75 3.157 8.758 1.742 1.00 0.00 O ATOM 0 H SER A 75 2.111 10.310 -1.655 1.00 0.00 H new ATOM 0 HA SER A 75 1.687 10.720 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.414 8.531 -0.161 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.003 9.263 -0.062 1.00 0.00 H new ATOM 0 HG SER A 75 2.428 8.135 1.944 1.00 0.00 H new ATOM 1018 N LEU A 76 3.842 12.004 1.777 1.00 0.00 N ATOM 1019 CA LEU A 76 5.110 12.618 2.156 1.00 0.00 C ATOM 1020 C LEU A 76 6.137 11.530 2.413 1.00 0.00 C ATOM 1021 O LEU A 76 7.324 11.771 2.187 1.00 0.00 O ATOM 1022 CB LEU A 76 4.935 13.455 3.439 1.00 0.00 C ATOM 1023 CG LEU A 76 4.349 14.858 3.229 1.00 0.00 C ATOM 1024 CD1 LEU A 76 4.084 15.517 4.587 1.00 0.00 C ATOM 1025 CD2 LEU A 76 5.317 15.748 2.440 1.00 0.00 C ATOM 0 H LEU A 76 3.245 11.816 2.583 1.00 0.00 H new ATOM 0 HA LEU A 76 5.444 13.267 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.289 12.908 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.906 13.553 3.925 1.00 0.00 H new ATOM 0 HG LEU A 76 3.421 14.752 2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.668 16.513 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.376 14.912 5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.019 15.596 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.876 16.736 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.255 15.841 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.509 15.301 1.465 1.00 0.00 H new ATOM 1037 N ALA A 77 5.726 10.338 2.852 1.00 0.00 N ATOM 1038 CA ALA A 77 6.673 9.298 3.220 1.00 0.00 C ATOM 1039 C ALA A 77 7.537 8.901 2.021 1.00 0.00 C ATOM 1040 O ALA A 77 8.740 8.706 2.173 1.00 0.00 O ATOM 1041 CB ALA A 77 5.934 8.108 3.817 1.00 0.00 C ATOM 0 H ALA A 77 4.746 10.075 2.959 1.00 0.00 H new ATOM 0 HA ALA A 77 7.350 9.683 3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.651 7.334 4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.389 8.427 4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.232 7.710 3.084 1.00 0.00 H new ATOM 1047 N GLU A 78 6.955 8.892 0.817 1.00 0.00 N ATOM 1048 CA GLU A 78 7.653 8.594 -0.434 1.00 0.00 C ATOM 1049 C GLU A 78 8.746 9.614 -0.801 1.00 0.00 C ATOM 1050 O GLU A 78 9.542 9.336 -1.695 1.00 0.00 O ATOM 1051 CB GLU A 78 6.623 8.449 -1.569 1.00 0.00 C ATOM 1052 CG GLU A 78 6.017 9.776 -2.071 1.00 0.00 C ATOM 1053 CD GLU A 78 6.377 10.091 -3.528 1.00 0.00 C ATOM 1054 OE1 GLU A 78 7.521 10.505 -3.850 1.00 0.00 O ATOM 1055 OE2 GLU A 78 5.511 9.866 -4.399 1.00 0.00 O ATOM 0 H GLU A 78 5.964 9.096 0.684 1.00 0.00 H new ATOM 0 HA GLU A 78 8.184 7.654 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.099 7.943 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.814 7.804 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.932 9.733 -1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.363 10.590 -1.434 1.00 0.00 H new ATOM 1062 N LYS A 79 8.784 10.781 -0.143 1.00 0.00 N ATOM 1063 CA LYS A 79 9.840 11.783 -0.294 1.00 0.00 C ATOM 1064 C LYS A 79 10.801 11.738 0.883 1.00 0.00 C ATOM 1065 O LYS A 79 11.971 12.082 0.723 1.00 0.00 O ATOM 1066 CB LYS A 79 9.257 13.208 -0.402 1.00 0.00 C ATOM 1067 CG LYS A 79 8.370 13.387 -1.640 1.00 0.00 C ATOM 1068 CD LYS A 79 6.875 13.314 -1.318 1.00 0.00 C ATOM 1069 CE LYS A 79 6.256 14.696 -1.110 1.00 0.00 C ATOM 1070 NZ LYS A 79 6.099 15.421 -2.384 1.00 0.00 N ATOM 0 H LYS A 79 8.063 11.058 0.524 1.00 0.00 H new ATOM 0 HA LYS A 79 10.373 11.545 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.675 13.428 0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.073 13.929 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.590 14.349 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.617 12.618 -2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.356 12.805 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.728 12.714 -0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.283 14.590 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.884 15.278 -0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.513 16.266 -2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.034 15.707 -2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.639 14.802 -3.082 1.00 0.00 H new ATOM 1084 N ASN A 80 10.317 11.377 2.071 1.00 0.00 N ATOM 1085 CA ASN A 80 11.082 11.465 3.301 1.00 0.00 C ATOM 1086 C ASN A 80 11.805 10.146 3.622 1.00 0.00 C ATOM 1087 O ASN A 80 12.617 10.125 4.545 1.00 0.00 O ATOM 1088 CB ASN A 80 10.149 11.952 4.417 1.00 0.00 C ATOM 1089 CG ASN A 80 9.792 13.430 4.255 1.00 0.00 C ATOM 1090 OD1 ASN A 80 10.549 14.337 4.599 1.00 0.00 O ATOM 1091 ND2 ASN A 80 8.660 13.735 3.652 1.00 0.00 N ATOM 0 H ASN A 80 9.373 11.013 2.201 1.00 0.00 H new ATOM 0 HA ASN A 80 11.887 12.192 3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.237 11.355 4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.628 11.798 5.384 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.422 14.711 3.477 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.022 12.995 3.361 1.00 0.00 H new ATOM 1098 N ALA A 81 11.561 9.080 2.852 1.00 0.00 N ATOM 1099 CA ALA A 81 12.296 7.817 2.851 1.00 0.00 C ATOM 1100 C ALA A 81 12.917 7.599 1.467 1.00 0.00 C ATOM 1101 O ALA A 81 12.518 8.266 0.507 1.00 0.00 O ATOM 1102 CB ALA A 81 11.330 6.684 3.185 1.00 0.00 C ATOM 0 H ALA A 81 10.799 9.079 2.174 1.00 0.00 H new ATOM 0 HA ALA A 81 13.092 7.839 3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.868 5.736 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.894 6.856 4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.537 6.650 2.438 1.00 0.00 H new ATOM 1108 N GLN A 82 13.873 6.670 1.347 1.00 0.00 N ATOM 1109 CA GLN A 82 14.745 6.561 0.175 1.00 0.00 C ATOM 1110 C GLN A 82 15.238 5.126 -0.061 1.00 0.00 C ATOM 1111 O GLN A 82 14.869 4.203 0.667 1.00 0.00 O ATOM 1112 CB GLN A 82 15.887 7.583 0.329 1.00 0.00 C ATOM 1113 CG GLN A 82 16.913 7.266 1.433 1.00 0.00 C ATOM 1114 CD GLN A 82 18.063 6.417 0.913 1.00 0.00 C ATOM 1115 OE1 GLN A 82 18.735 6.813 -0.040 1.00 0.00 O ATOM 1116 NE2 GLN A 82 18.279 5.238 1.470 1.00 0.00 N ATOM 0 H GLN A 82 14.063 5.970 2.064 1.00 0.00 H new ATOM 0 HA GLN A 82 14.181 6.798 -0.727 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.414 7.659 -0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.451 8.561 0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.305 8.197 1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.417 6.743 2.250 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.708 4.934 2.259 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.017 4.632 1.111 1.00 0.00 H new ATOM 1125 N VAL A 83 16.057 4.940 -1.096 1.00 0.00 N ATOM 1126 CA VAL A 83 16.545 3.649 -1.569 1.00 0.00 C ATOM 1127 C VAL A 83 18.016 3.477 -1.184 1.00 0.00 C ATOM 1128 O VAL A 83 18.899 4.174 -1.689 1.00 0.00 O ATOM 1129 CB VAL A 83 16.325 3.520 -3.089 1.00 0.00 C ATOM 1130 CG1 VAL A 83 16.849 2.177 -3.620 1.00 0.00 C ATOM 1131 CG2 VAL A 83 14.840 3.696 -3.457 1.00 0.00 C ATOM 0 H VAL A 83 16.412 5.719 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 83 15.982 2.847 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 83 16.893 4.320 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 83 16.678 2.119 -4.695 1.00 0.00 H new ATOM 0 HG12 VAL A 83 17.917 2.098 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 83 16.324 1.360 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.719 3.599 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 83 14.248 2.931 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.501 4.683 -3.141 1.00 0.00 H new ATOM 1141 N VAL A 84 18.264 2.544 -0.268 1.00 0.00 N ATOM 1142 CA VAL A 84 19.584 2.009 0.030 1.00 0.00 C ATOM 1143 C VAL A 84 20.177 1.387 -1.230 1.00 0.00 C ATOM 1144 O VAL A 84 19.422 0.847 -2.062 1.00 0.00 O ATOM 1145 CB VAL A 84 19.490 1.012 1.200 1.00 0.00 C ATOM 1146 CG1 VAL A 84 19.194 1.772 2.501 1.00 0.00 C ATOM 1147 CG2 VAL A 84 18.414 -0.069 0.979 1.00 0.00 C ATOM 0 H VAL A 84 17.528 2.129 0.303 1.00 0.00 H new ATOM 0 HA VAL A 84 20.256 2.807 0.345 1.00 0.00 H new ATOM 0 HB VAL A 84 20.451 0.502 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.128 1.065 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 84 19.995 2.485 2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.249 2.306 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.394 -0.743 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.439 0.406 0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 84 18.647 -0.635 0.077 1.00 0.00 H new TER 1157 VAL A 84