USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 GLN : amide:sc= -2.69 K(o=-2.7,f=-1.8!) USER MOD Set 1.2: A 92 SER OG : rot -52:sc= 0.0113 USER MOD Set 2.1: A 41 GLN : amide:sc= -0.246 X(o=-1.7,f=-1.4) USER MOD Set 2.2: A 43 HIS : no HD1:sc= -1.43 K(o=-1.7,f=-0.62) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00506 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.986 K(o=-0.99,f=-5.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 177:sc= -0.641 (180deg=-0.705) USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 0.0925 (180deg=0.0891) USER MOD Single : A 56 SER OG : rot 108:sc= 0.287 USER MOD Single : A 67 GLN : amide:sc= -0.0833 X(o=-0.083,f=0) USER MOD Single : A 71 THR OG1 : rot -150:sc= 0.0245 USER MOD Single : A 72 TYR OH : rot -4:sc= 0.227 USER MOD Single : A 73 SER OG : rot 118:sc= 0.893 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 78 HIS : no HE2:sc= -3.32! K(o=-3.3!,f=-3.9) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -42:sc= 0.781 USER MOD Single : A 81 HIS : no HE2:sc= -0.579 K(o=-0.58,f=-2) USER MOD Single : A 84 GLN : amide:sc= -0.0475 K(o=-0.048,f=-1.4!) USER MOD Single : A 86 SER OG : rot 133:sc= 0.0224 USER MOD Single : A 90 SER OG : rot 20:sc= 0.997 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.077 8.414 14.104 1.00 0.00 N ATOM 2 CA GLY A 1 -1.435 7.374 15.052 1.00 0.00 C ATOM 3 C GLY A 1 -2.654 7.736 15.877 1.00 0.00 C ATOM 4 O GLY A 1 -2.626 7.661 17.105 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.238 8.119 13.565 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.870 8.576 13.450 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.867 9.294 14.617 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.627 6.446 14.513 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.592 7.187 15.717 1.00 0.00 H new ATOM 8 N SER A 2 -3.728 8.133 15.201 1.00 0.00 N ATOM 9 CA SER A 2 -4.961 8.513 15.879 1.00 0.00 C ATOM 10 C SER A 2 -6.139 7.689 15.369 1.00 0.00 C ATOM 11 O SER A 2 -6.635 7.913 14.265 1.00 0.00 O ATOM 12 CB SER A 2 -5.240 10.004 15.676 1.00 0.00 C ATOM 13 OG SER A 2 -4.232 10.798 16.277 1.00 0.00 O ATOM 0 H SER A 2 -3.768 8.200 14.184 1.00 0.00 H new ATOM 0 HA SER A 2 -4.837 8.315 16.944 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.294 10.225 14.610 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.210 10.257 16.104 1.00 0.00 H new ATOM 0 HG SER A 2 -4.432 11.746 16.132 1.00 0.00 H new ATOM 19 N SER A 3 -6.582 6.735 16.181 1.00 0.00 N ATOM 20 CA SER A 3 -7.699 5.874 15.811 1.00 0.00 C ATOM 21 C SER A 3 -9.016 6.437 16.337 1.00 0.00 C ATOM 22 O SER A 3 -9.220 6.543 17.546 1.00 0.00 O ATOM 23 CB SER A 3 -7.482 4.460 16.354 1.00 0.00 C ATOM 24 OG SER A 3 -8.563 3.610 16.009 1.00 0.00 O ATOM 0 H SER A 3 -6.184 6.539 17.100 1.00 0.00 H new ATOM 0 HA SER A 3 -7.750 5.834 14.723 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.553 4.052 15.955 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.375 4.496 17.438 1.00 0.00 H new ATOM 0 HG SER A 3 -8.400 2.712 16.366 1.00 0.00 H new ATOM 30 N GLY A 4 -9.908 6.796 15.419 1.00 0.00 N ATOM 31 CA GLY A 4 -11.194 7.344 15.808 1.00 0.00 C ATOM 32 C GLY A 4 -12.322 6.866 14.916 1.00 0.00 C ATOM 33 O GLY A 4 -12.821 5.752 15.077 1.00 0.00 O ATOM 0 H GLY A 4 -9.763 6.717 14.412 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.407 7.064 16.840 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.146 8.432 15.776 1.00 0.00 H new ATOM 37 N SER A 5 -12.727 7.710 13.973 1.00 0.00 N ATOM 38 CA SER A 5 -13.807 7.370 13.054 1.00 0.00 C ATOM 39 C SER A 5 -13.258 6.741 11.777 1.00 0.00 C ATOM 40 O SER A 5 -13.770 5.729 11.300 1.00 0.00 O ATOM 41 CB SER A 5 -14.625 8.617 12.711 1.00 0.00 C ATOM 42 OG SER A 5 -13.809 9.617 12.127 1.00 0.00 O ATOM 0 H SER A 5 -12.323 8.635 13.825 1.00 0.00 H new ATOM 0 HA SER A 5 -14.454 6.644 13.546 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.428 8.351 12.024 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.094 9.008 13.614 1.00 0.00 H new ATOM 0 HG SER A 5 -14.355 10.403 11.915 1.00 0.00 H new ATOM 48 N SER A 6 -12.210 7.349 11.230 1.00 0.00 N ATOM 49 CA SER A 6 -11.592 6.853 10.006 1.00 0.00 C ATOM 50 C SER A 6 -12.647 6.565 8.942 1.00 0.00 C ATOM 51 O SER A 6 -12.625 5.518 8.297 1.00 0.00 O ATOM 52 CB SER A 6 -10.784 5.586 10.295 1.00 0.00 C ATOM 53 OG SER A 6 -9.894 5.785 11.380 1.00 0.00 O ATOM 0 H SER A 6 -11.771 8.186 11.615 1.00 0.00 H new ATOM 0 HA SER A 6 -10.922 7.625 9.628 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.461 4.763 10.523 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.221 5.299 9.407 1.00 0.00 H new ATOM 0 HG SER A 6 -9.391 4.961 11.546 1.00 0.00 H new ATOM 59 N GLY A 7 -13.571 7.504 8.765 1.00 0.00 N ATOM 60 CA GLY A 7 -14.622 7.334 7.779 1.00 0.00 C ATOM 61 C GLY A 7 -14.102 7.410 6.357 1.00 0.00 C ATOM 62 O GLY A 7 -14.571 6.687 5.477 1.00 0.00 O ATOM 0 H GLY A 7 -13.611 8.380 9.287 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.108 6.371 7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.381 8.102 7.926 1.00 0.00 H new ATOM 66 N LEU A 8 -13.131 8.288 6.131 1.00 0.00 N ATOM 67 CA LEU A 8 -12.547 8.457 4.805 1.00 0.00 C ATOM 68 C LEU A 8 -11.104 8.943 4.903 1.00 0.00 C ATOM 69 O LEU A 8 -10.710 9.546 5.901 1.00 0.00 O ATOM 70 CB LEU A 8 -13.375 9.446 3.983 1.00 0.00 C ATOM 71 CG LEU A 8 -12.900 10.899 4.004 1.00 0.00 C ATOM 72 CD1 LEU A 8 -12.719 11.381 5.435 1.00 0.00 C ATOM 73 CD2 LEU A 8 -11.603 11.048 3.222 1.00 0.00 C ATOM 0 H LEU A 8 -12.732 8.893 6.848 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.552 7.487 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.390 9.104 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -14.403 9.416 4.343 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.662 11.516 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.381 12.417 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.669 11.312 5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.978 10.760 5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.280 12.089 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.834 10.418 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.765 10.744 2.188 1.00 0.00 H new ATOM 85 N GLU A 9 -10.323 8.677 3.861 1.00 0.00 N ATOM 86 CA GLU A 9 -8.925 9.089 3.830 1.00 0.00 C ATOM 87 C GLU A 9 -8.576 9.735 2.492 1.00 0.00 C ATOM 88 O GLU A 9 -8.699 9.109 1.440 1.00 0.00 O ATOM 89 CB GLU A 9 -8.010 7.889 4.083 1.00 0.00 C ATOM 90 CG GLU A 9 -8.253 7.209 5.421 1.00 0.00 C ATOM 91 CD GLU A 9 -7.467 7.847 6.550 1.00 0.00 C ATOM 92 OE1 GLU A 9 -7.970 8.823 7.145 1.00 0.00 O ATOM 93 OE2 GLU A 9 -6.350 7.370 6.839 1.00 0.00 O ATOM 0 H GLU A 9 -10.635 8.178 3.028 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.774 9.825 4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.151 7.161 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.972 8.218 4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.317 7.248 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.982 6.156 5.344 1.00 0.00 H new ATOM 100 N GLU A 10 -8.143 10.990 2.542 1.00 0.00 N ATOM 101 CA GLU A 10 -7.778 11.721 1.334 1.00 0.00 C ATOM 102 C GLU A 10 -7.066 10.808 0.340 1.00 0.00 C ATOM 103 O GLU A 10 -7.491 10.669 -0.807 1.00 0.00 O ATOM 104 CB GLU A 10 -6.883 12.911 1.682 1.00 0.00 C ATOM 105 CG GLU A 10 -6.857 13.987 0.609 1.00 0.00 C ATOM 106 CD GLU A 10 -8.135 14.803 0.570 1.00 0.00 C ATOM 107 OE1 GLU A 10 -8.349 15.616 1.493 1.00 0.00 O ATOM 108 OE2 GLU A 10 -8.921 14.628 -0.384 1.00 0.00 O ATOM 0 H GLU A 10 -8.036 11.522 3.406 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.694 12.088 0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.226 13.351 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.867 12.554 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.011 14.651 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.698 13.521 -0.364 1.00 0.00 H new ATOM 115 N VAL A 11 -5.980 10.186 0.789 1.00 0.00 N ATOM 116 CA VAL A 11 -5.209 9.286 -0.059 1.00 0.00 C ATOM 117 C VAL A 11 -5.931 7.957 -0.250 1.00 0.00 C ATOM 118 O VAL A 11 -6.473 7.393 0.700 1.00 0.00 O ATOM 119 CB VAL A 11 -3.811 9.019 0.531 1.00 0.00 C ATOM 120 CG1 VAL A 11 -3.013 8.099 -0.381 1.00 0.00 C ATOM 121 CG2 VAL A 11 -3.071 10.328 0.761 1.00 0.00 C ATOM 0 H VAL A 11 -5.615 10.289 1.736 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.099 9.778 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.931 8.522 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.029 7.922 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.538 7.150 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.900 8.565 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.086 10.120 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.960 10.855 -0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.636 10.948 1.457 1.00 0.00 H new ATOM 131 N GLN A 12 -5.932 7.462 -1.483 1.00 0.00 N ATOM 132 CA GLN A 12 -6.588 6.198 -1.798 1.00 0.00 C ATOM 133 C GLN A 12 -5.567 5.074 -1.932 1.00 0.00 C ATOM 134 O GLN A 12 -4.630 5.163 -2.726 1.00 0.00 O ATOM 135 CB GLN A 12 -7.396 6.327 -3.091 1.00 0.00 C ATOM 136 CG GLN A 12 -6.577 6.821 -4.273 1.00 0.00 C ATOM 137 CD GLN A 12 -7.368 6.834 -5.566 1.00 0.00 C ATOM 138 OE1 GLN A 12 -7.047 6.113 -6.511 1.00 0.00 O ATOM 139 NE2 GLN A 12 -8.410 7.657 -5.614 1.00 0.00 N ATOM 0 H GLN A 12 -5.486 7.916 -2.280 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.264 5.954 -0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.827 5.357 -3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.227 7.012 -2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.214 7.827 -4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.700 6.185 -4.394 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.640 8.237 -4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.980 7.709 -6.458 1.00 0.00 H new ATOM 148 N LEU A 13 -5.753 4.016 -1.149 1.00 0.00 N ATOM 149 CA LEU A 13 -4.848 2.873 -1.180 1.00 0.00 C ATOM 150 C LEU A 13 -5.533 1.652 -1.786 1.00 0.00 C ATOM 151 O LEU A 13 -6.284 0.949 -1.111 1.00 0.00 O ATOM 152 CB LEU A 13 -4.357 2.548 0.232 1.00 0.00 C ATOM 153 CG LEU A 13 -3.626 1.215 0.398 1.00 0.00 C ATOM 154 CD1 LEU A 13 -2.335 1.211 -0.405 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.343 0.942 1.868 1.00 0.00 C ATOM 0 H LEU A 13 -6.522 3.927 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.994 3.134 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.691 3.348 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.215 2.555 0.904 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.268 0.420 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.828 0.255 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.563 1.360 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.687 2.015 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.822 -0.010 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.720 1.740 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.283 0.901 2.418 1.00 0.00 H new ATOM 167 N VAL A 14 -5.266 1.405 -3.065 1.00 0.00 N ATOM 168 CA VAL A 14 -5.854 0.267 -3.762 1.00 0.00 C ATOM 169 C VAL A 14 -4.861 -0.885 -3.868 1.00 0.00 C ATOM 170 O VAL A 14 -3.989 -0.889 -4.738 1.00 0.00 O ATOM 171 CB VAL A 14 -6.324 0.657 -5.176 1.00 0.00 C ATOM 172 CG1 VAL A 14 -6.939 -0.541 -5.884 1.00 0.00 C ATOM 173 CG2 VAL A 14 -7.312 1.812 -5.109 1.00 0.00 C ATOM 0 H VAL A 14 -4.647 1.977 -3.639 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.716 -0.053 -3.176 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.457 0.983 -5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.265 -0.246 -6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.198 -1.336 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.796 -0.900 -5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.634 2.075 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.178 1.516 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.833 2.674 -4.645 1.00 0.00 H new ATOM 183 N VAL A 15 -4.999 -1.862 -2.978 1.00 0.00 N ATOM 184 CA VAL A 15 -4.115 -3.021 -2.972 1.00 0.00 C ATOM 185 C VAL A 15 -4.568 -4.063 -3.988 1.00 0.00 C ATOM 186 O VAL A 15 -5.742 -4.118 -4.354 1.00 0.00 O ATOM 187 CB VAL A 15 -4.054 -3.673 -1.578 1.00 0.00 C ATOM 188 CG1 VAL A 15 -3.536 -2.681 -0.547 1.00 0.00 C ATOM 189 CG2 VAL A 15 -5.421 -4.205 -1.178 1.00 0.00 C ATOM 0 H VAL A 15 -5.715 -1.874 -2.252 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.122 -2.662 -3.242 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.361 -4.513 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.500 -3.159 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.535 -2.353 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.202 -1.819 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.359 -4.662 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.138 -3.384 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.748 -4.950 -1.903 1.00 0.00 H new ATOM 199 N GLU A 16 -3.630 -4.889 -4.440 1.00 0.00 N ATOM 200 CA GLU A 16 -3.934 -5.930 -5.415 1.00 0.00 C ATOM 201 C GLU A 16 -3.359 -7.273 -4.974 1.00 0.00 C ATOM 202 O GLU A 16 -2.153 -7.428 -4.782 1.00 0.00 O ATOM 203 CB GLU A 16 -3.377 -5.551 -6.789 1.00 0.00 C ATOM 204 CG GLU A 16 -3.193 -6.738 -7.719 1.00 0.00 C ATOM 205 CD GLU A 16 -3.362 -6.366 -9.180 1.00 0.00 C ATOM 206 OE1 GLU A 16 -2.471 -5.680 -9.724 1.00 0.00 O ATOM 207 OE2 GLU A 16 -4.385 -6.760 -9.778 1.00 0.00 O ATOM 0 H GLU A 16 -2.654 -4.858 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.018 -6.023 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.049 -4.833 -7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.417 -5.051 -6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.200 -7.162 -7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.914 -7.513 -7.460 1.00 0.00 H new ATOM 214 N PRO A 17 -4.243 -8.269 -4.809 1.00 0.00 N ATOM 215 CA PRO A 17 -5.681 -8.096 -5.035 1.00 0.00 C ATOM 216 C PRO A 17 -6.332 -7.212 -3.977 1.00 0.00 C ATOM 217 O PRO A 17 -5.778 -7.013 -2.896 1.00 0.00 O ATOM 218 CB PRO A 17 -6.227 -9.523 -4.949 1.00 0.00 C ATOM 219 CG PRO A 17 -5.247 -10.254 -4.097 1.00 0.00 C ATOM 220 CD PRO A 17 -3.906 -9.640 -4.389 1.00 0.00 C ATOM 0 HA PRO A 17 -5.888 -7.602 -5.984 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.224 -9.539 -4.508 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.308 -9.976 -5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.499 -10.157 -3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.247 -11.319 -4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.262 -9.644 -3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.378 -10.182 -5.173 1.00 0.00 H new ATOM 228 N GLU A 18 -7.509 -6.684 -4.296 1.00 0.00 N ATOM 229 CA GLU A 18 -8.234 -5.820 -3.371 1.00 0.00 C ATOM 230 C GLU A 18 -8.756 -6.617 -2.178 1.00 0.00 C ATOM 231 O GLU A 18 -9.961 -6.817 -2.031 1.00 0.00 O ATOM 232 CB GLU A 18 -9.398 -5.132 -4.087 1.00 0.00 C ATOM 233 CG GLU A 18 -9.735 -3.762 -3.523 1.00 0.00 C ATOM 234 CD GLU A 18 -11.200 -3.407 -3.689 1.00 0.00 C ATOM 235 OE1 GLU A 18 -12.055 -4.158 -3.175 1.00 0.00 O ATOM 236 OE2 GLU A 18 -11.491 -2.377 -4.333 1.00 0.00 O ATOM 0 H GLU A 18 -7.981 -6.839 -5.187 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.543 -5.061 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.154 -5.030 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.280 -5.769 -4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.476 -3.735 -2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.124 -3.008 -4.020 1.00 0.00 H new ATOM 243 N GLY A 19 -7.838 -7.069 -1.329 1.00 0.00 N ATOM 244 CA GLY A 19 -8.223 -7.839 -0.161 1.00 0.00 C ATOM 245 C GLY A 19 -7.132 -7.883 0.890 1.00 0.00 C ATOM 246 O GLY A 19 -7.413 -7.867 2.088 1.00 0.00 O ATOM 0 H GLY A 19 -6.835 -6.916 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.125 -7.408 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.471 -8.856 -0.466 1.00 0.00 H new ATOM 250 N GLY A 20 -5.882 -7.940 0.442 1.00 0.00 N ATOM 251 CA GLY A 20 -4.764 -7.988 1.365 1.00 0.00 C ATOM 252 C GLY A 20 -4.440 -9.400 1.812 1.00 0.00 C ATOM 253 O GLY A 20 -3.992 -9.615 2.937 1.00 0.00 O ATOM 0 H GLY A 20 -5.624 -7.954 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.886 -7.550 0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.992 -7.377 2.239 1.00 0.00 H new ATOM 257 N ALA A 21 -4.669 -10.366 0.927 1.00 0.00 N ATOM 258 CA ALA A 21 -4.399 -11.764 1.236 1.00 0.00 C ATOM 259 C ALA A 21 -4.004 -12.537 -0.018 1.00 0.00 C ATOM 260 O ALA A 21 -4.727 -12.536 -1.014 1.00 0.00 O ATOM 261 CB ALA A 21 -5.614 -12.404 1.892 1.00 0.00 C ATOM 0 H ALA A 21 -5.041 -10.205 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.562 -11.801 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.398 -13.448 2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.850 -11.875 2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.466 -12.348 1.214 1.00 0.00 H new ATOM 267 N VAL A 22 -2.851 -13.196 0.038 1.00 0.00 N ATOM 268 CA VAL A 22 -2.360 -13.974 -1.094 1.00 0.00 C ATOM 269 C VAL A 22 -1.621 -15.222 -0.624 1.00 0.00 C ATOM 270 O VAL A 22 -1.150 -15.286 0.512 1.00 0.00 O ATOM 271 CB VAL A 22 -1.420 -13.139 -1.983 1.00 0.00 C ATOM 272 CG1 VAL A 22 -2.109 -11.860 -2.436 1.00 0.00 C ATOM 273 CG2 VAL A 22 -0.128 -12.825 -1.244 1.00 0.00 C ATOM 0 H VAL A 22 -2.240 -13.207 0.854 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.232 -14.270 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.172 -13.723 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.429 -11.283 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.004 -12.111 -3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.388 -11.269 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.525 -12.234 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.354 -12.260 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.373 -13.755 -0.975 1.00 0.00 H new ATOM 283 N ALA A 23 -1.524 -16.212 -1.505 1.00 0.00 N ATOM 284 CA ALA A 23 -0.840 -17.458 -1.181 1.00 0.00 C ATOM 285 C ALA A 23 0.646 -17.221 -0.934 1.00 0.00 C ATOM 286 O ALA A 23 1.198 -16.176 -1.280 1.00 0.00 O ATOM 287 CB ALA A 23 -1.036 -18.473 -2.297 1.00 0.00 C ATOM 0 H ALA A 23 -1.910 -16.176 -2.448 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.275 -17.854 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.520 -19.399 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.100 -18.674 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.629 -18.075 -3.226 1.00 0.00 H new ATOM 293 N PRO A 24 1.310 -18.212 -0.321 1.00 0.00 N ATOM 294 CA PRO A 24 2.742 -18.134 -0.014 1.00 0.00 C ATOM 295 C PRO A 24 3.608 -18.196 -1.268 1.00 0.00 C ATOM 296 O PRO A 24 4.090 -19.262 -1.648 1.00 0.00 O ATOM 297 CB PRO A 24 2.984 -19.363 0.865 1.00 0.00 C ATOM 298 CG PRO A 24 1.912 -20.323 0.477 1.00 0.00 C ATOM 299 CD PRO A 24 0.716 -19.485 0.119 1.00 0.00 C ATOM 0 HA PRO A 24 3.005 -17.192 0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.974 -19.784 0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.925 -19.110 1.924 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.225 -20.937 -0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.681 -21.003 1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.124 -19.947 -0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.053 -19.345 0.973 1.00 0.00 H new ATOM 307 N GLY A 25 3.801 -17.046 -1.907 1.00 0.00 N ATOM 308 CA GLY A 25 4.609 -16.993 -3.111 1.00 0.00 C ATOM 309 C GLY A 25 3.907 -16.280 -4.250 1.00 0.00 C ATOM 310 O GLY A 25 4.165 -16.560 -5.420 1.00 0.00 O ATOM 0 H GLY A 25 3.412 -16.150 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.548 -16.485 -2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.860 -18.007 -3.421 1.00 0.00 H new ATOM 314 N GLY A 26 3.014 -15.357 -3.907 1.00 0.00 N ATOM 315 CA GLY A 26 2.284 -14.618 -4.921 1.00 0.00 C ATOM 316 C GLY A 26 2.927 -13.283 -5.240 1.00 0.00 C ATOM 317 O GLY A 26 4.123 -13.091 -5.018 1.00 0.00 O ATOM 0 H GLY A 26 2.783 -15.108 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.225 -15.216 -5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.262 -14.453 -4.581 1.00 0.00 H new ATOM 321 N THR A 27 2.132 -12.355 -5.764 1.00 0.00 N ATOM 322 CA THR A 27 2.631 -11.032 -6.117 1.00 0.00 C ATOM 323 C THR A 27 1.582 -9.959 -5.848 1.00 0.00 C ATOM 324 O THR A 27 0.582 -9.862 -6.560 1.00 0.00 O ATOM 325 CB THR A 27 3.048 -10.965 -7.598 1.00 0.00 C ATOM 326 OG1 THR A 27 3.918 -12.059 -7.912 1.00 0.00 O ATOM 327 CG2 THR A 27 3.749 -9.650 -7.905 1.00 0.00 C ATOM 0 H THR A 27 1.140 -12.496 -5.953 1.00 0.00 H new ATOM 0 HA THR A 27 3.505 -10.847 -5.492 1.00 0.00 H new ATOM 0 HB THR A 27 2.147 -11.030 -8.209 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.177 -12.010 -8.856 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.034 -9.626 -8.957 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.075 -8.820 -7.693 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.641 -9.560 -7.285 1.00 0.00 H new ATOM 335 N VAL A 28 1.816 -9.154 -4.817 1.00 0.00 N ATOM 336 CA VAL A 28 0.892 -8.086 -4.455 1.00 0.00 C ATOM 337 C VAL A 28 1.317 -6.758 -5.073 1.00 0.00 C ATOM 338 O VAL A 28 2.501 -6.420 -5.091 1.00 0.00 O ATOM 339 CB VAL A 28 0.796 -7.921 -2.926 1.00 0.00 C ATOM 340 CG1 VAL A 28 -0.142 -6.777 -2.571 1.00 0.00 C ATOM 341 CG2 VAL A 28 0.337 -9.218 -2.279 1.00 0.00 C ATOM 0 H VAL A 28 2.638 -9.221 -4.217 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.086 -8.368 -4.845 1.00 0.00 H new ATOM 0 HB VAL A 28 1.787 -7.680 -2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.198 -6.675 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.234 -5.850 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.136 -6.985 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.275 -9.084 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.644 -9.491 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.051 -10.010 -2.506 1.00 0.00 H new ATOM 351 N THR A 29 0.342 -6.008 -5.578 1.00 0.00 N ATOM 352 CA THR A 29 0.615 -4.718 -6.198 1.00 0.00 C ATOM 353 C THR A 29 -0.138 -3.598 -5.489 1.00 0.00 C ATOM 354 O THR A 29 -1.340 -3.419 -5.691 1.00 0.00 O ATOM 355 CB THR A 29 0.228 -4.718 -7.689 1.00 0.00 C ATOM 356 OG1 THR A 29 1.137 -5.538 -8.431 1.00 0.00 O ATOM 357 CG2 THR A 29 0.238 -3.304 -8.250 1.00 0.00 C ATOM 0 H THR A 29 -0.643 -6.272 -5.570 1.00 0.00 H new ATOM 0 HA THR A 29 1.687 -4.545 -6.109 1.00 0.00 H new ATOM 0 HB THR A 29 -0.781 -5.121 -7.780 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.883 -5.534 -9.378 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.038 -3.329 -9.304 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.477 -2.690 -7.702 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.236 -2.879 -8.147 1.00 0.00 H new ATOM 365 N LEU A 30 0.575 -2.845 -4.658 1.00 0.00 N ATOM 366 CA LEU A 30 -0.027 -1.741 -3.919 1.00 0.00 C ATOM 367 C LEU A 30 0.073 -0.439 -4.708 1.00 0.00 C ATOM 368 O LEU A 30 1.157 -0.042 -5.139 1.00 0.00 O ATOM 369 CB LEU A 30 0.655 -1.580 -2.560 1.00 0.00 C ATOM 370 CG LEU A 30 0.538 -2.768 -1.605 1.00 0.00 C ATOM 371 CD1 LEU A 30 1.703 -3.727 -1.800 1.00 0.00 C ATOM 372 CD2 LEU A 30 0.475 -2.290 -0.162 1.00 0.00 C ATOM 0 H LEU A 30 1.570 -2.979 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.081 -1.971 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.713 -1.378 -2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.237 -0.702 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.386 -3.300 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.603 -4.566 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.702 -4.097 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.640 -3.206 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.392 -3.150 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.381 -1.733 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.393 -1.644 -0.030 1.00 0.00 H new ATOM 384 N THR A 31 -1.064 0.224 -4.893 1.00 0.00 N ATOM 385 CA THR A 31 -1.105 1.481 -5.629 1.00 0.00 C ATOM 386 C THR A 31 -1.614 2.617 -4.749 1.00 0.00 C ATOM 387 O THR A 31 -2.638 2.485 -4.078 1.00 0.00 O ATOM 388 CB THR A 31 -2.001 1.373 -6.877 1.00 0.00 C ATOM 389 OG1 THR A 31 -1.763 0.128 -7.545 1.00 0.00 O ATOM 390 CG2 THR A 31 -1.739 2.526 -7.834 1.00 0.00 C ATOM 0 H THR A 31 -1.969 -0.089 -4.543 1.00 0.00 H new ATOM 0 HA THR A 31 -0.083 1.697 -5.942 1.00 0.00 H new ATOM 0 HB THR A 31 -3.041 1.419 -6.555 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.338 0.066 -8.336 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.384 2.428 -8.707 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.950 3.470 -7.332 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.696 2.507 -8.149 1.00 0.00 H new ATOM 398 N CYS A 32 -0.894 3.734 -4.757 1.00 0.00 N ATOM 399 CA CYS A 32 -1.273 4.894 -3.960 1.00 0.00 C ATOM 400 C CYS A 32 -1.292 6.158 -4.814 1.00 0.00 C ATOM 401 O CYS A 32 -0.373 6.406 -5.594 1.00 0.00 O ATOM 402 CB CYS A 32 -0.304 5.072 -2.789 1.00 0.00 C ATOM 403 SG CYS A 32 -1.052 5.841 -1.316 1.00 0.00 S ATOM 0 H CYS A 32 -0.044 3.860 -5.307 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.277 4.724 -3.571 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.098 4.097 -2.512 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.537 5.682 -3.117 1.00 0.00 H new ATOM 408 N GLU A 33 -2.346 6.954 -4.660 1.00 0.00 N ATOM 409 CA GLU A 33 -2.485 8.192 -5.418 1.00 0.00 C ATOM 410 C GLU A 33 -3.203 9.256 -4.594 1.00 0.00 C ATOM 411 O GLU A 33 -3.767 8.965 -3.539 1.00 0.00 O ATOM 412 CB GLU A 33 -3.250 7.936 -6.719 1.00 0.00 C ATOM 413 CG GLU A 33 -2.383 7.379 -7.835 1.00 0.00 C ATOM 414 CD GLU A 33 -1.574 8.453 -8.537 1.00 0.00 C ATOM 415 OE1 GLU A 33 -2.057 9.602 -8.615 1.00 0.00 O ATOM 416 OE2 GLU A 33 -0.460 8.144 -9.009 1.00 0.00 O ATOM 0 H GLU A 33 -3.115 6.764 -4.018 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.486 8.556 -5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.064 7.239 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.703 8.869 -7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.706 6.630 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.016 6.872 -8.563 1.00 0.00 H new ATOM 423 N VAL A 34 -3.177 10.492 -5.083 1.00 0.00 N ATOM 424 CA VAL A 34 -3.825 11.601 -4.393 1.00 0.00 C ATOM 425 C VAL A 34 -4.651 12.442 -5.360 1.00 0.00 C ATOM 426 O VAL A 34 -4.241 12.720 -6.487 1.00 0.00 O ATOM 427 CB VAL A 34 -2.794 12.507 -3.694 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.481 13.702 -3.051 1.00 0.00 C ATOM 429 CG2 VAL A 34 -2.005 11.716 -2.661 1.00 0.00 C ATOM 0 H VAL A 34 -2.714 10.750 -5.954 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.483 11.165 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.097 12.880 -4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.736 14.330 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.997 14.280 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.202 13.353 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.281 12.371 -2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.687 11.313 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.481 10.897 -3.153 1.00 0.00 H new ATOM 439 N PRO A 35 -5.844 12.859 -4.910 1.00 0.00 N ATOM 440 CA PRO A 35 -6.753 13.676 -5.720 1.00 0.00 C ATOM 441 C PRO A 35 -6.228 15.092 -5.930 1.00 0.00 C ATOM 442 O PRO A 35 -6.168 15.581 -7.058 1.00 0.00 O ATOM 443 CB PRO A 35 -8.040 13.701 -4.891 1.00 0.00 C ATOM 444 CG PRO A 35 -7.592 13.474 -3.489 1.00 0.00 C ATOM 445 CD PRO A 35 -6.397 12.566 -3.577 1.00 0.00 C ATOM 0 HA PRO A 35 -6.883 13.269 -6.723 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.557 14.655 -4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.735 12.926 -5.215 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.332 14.416 -3.005 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.385 13.019 -2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.675 12.774 -2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.681 11.518 -3.481 1.00 0.00 H new ATOM 453 N ALA A 36 -5.848 15.746 -4.838 1.00 0.00 N ATOM 454 CA ALA A 36 -5.325 17.105 -4.904 1.00 0.00 C ATOM 455 C ALA A 36 -3.995 17.146 -5.648 1.00 0.00 C ATOM 456 O ALA A 36 -3.764 18.028 -6.475 1.00 0.00 O ATOM 457 CB ALA A 36 -5.166 17.678 -3.503 1.00 0.00 C ATOM 0 H ALA A 36 -5.892 15.357 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.039 17.716 -5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.775 18.693 -3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.135 17.694 -3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.474 17.058 -2.933 1.00 0.00 H new ATOM 463 N GLN A 37 -3.124 16.188 -5.348 1.00 0.00 N ATOM 464 CA GLN A 37 -1.817 16.117 -5.989 1.00 0.00 C ATOM 465 C GLN A 37 -1.823 15.102 -7.127 1.00 0.00 C ATOM 466 O GLN A 37 -2.232 13.952 -6.964 1.00 0.00 O ATOM 467 CB GLN A 37 -0.743 15.745 -4.964 1.00 0.00 C ATOM 468 CG GLN A 37 0.618 16.355 -5.261 1.00 0.00 C ATOM 469 CD GLN A 37 0.646 17.855 -5.038 1.00 0.00 C ATOM 470 OE1 GLN A 37 -0.365 18.538 -5.204 1.00 0.00 O ATOM 471 NE2 GLN A 37 1.807 18.376 -4.661 1.00 0.00 N ATOM 0 H GLN A 37 -3.300 15.451 -4.665 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.590 17.099 -6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.069 16.068 -3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.646 14.660 -4.929 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.369 15.883 -4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.891 16.140 -6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.620 17.773 -4.535 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.886 19.380 -4.497 1.00 0.00 H new ATOM 480 N PRO A 38 -1.359 15.534 -8.309 1.00 0.00 N ATOM 481 CA PRO A 38 -1.300 14.679 -9.498 1.00 0.00 C ATOM 482 C PRO A 38 -0.245 13.585 -9.373 1.00 0.00 C ATOM 483 O PRO A 38 -0.534 12.405 -9.573 1.00 0.00 O ATOM 484 CB PRO A 38 -0.930 15.653 -10.618 1.00 0.00 C ATOM 485 CG PRO A 38 -0.218 16.767 -9.932 1.00 0.00 C ATOM 486 CD PRO A 38 -0.855 16.892 -8.575 1.00 0.00 C ATOM 0 HA PRO A 38 -2.238 14.151 -9.667 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.293 15.176 -11.363 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.817 16.012 -11.139 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.847 16.554 -9.845 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.313 17.696 -10.495 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.135 17.208 -7.820 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.660 17.627 -8.575 1.00 0.00 H new ATOM 494 N SER A 39 0.978 13.984 -9.042 1.00 0.00 N ATOM 495 CA SER A 39 2.078 13.037 -8.894 1.00 0.00 C ATOM 496 C SER A 39 2.881 13.331 -7.631 1.00 0.00 C ATOM 497 O SER A 39 4.026 13.781 -7.683 1.00 0.00 O ATOM 498 CB SER A 39 2.993 13.090 -10.119 1.00 0.00 C ATOM 499 OG SER A 39 2.297 12.708 -11.292 1.00 0.00 O ATOM 0 H SER A 39 1.233 14.957 -8.871 1.00 0.00 H new ATOM 0 HA SER A 39 1.655 12.036 -8.809 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.387 14.099 -10.239 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.847 12.430 -9.968 1.00 0.00 H new ATOM 0 HG SER A 39 2.903 12.752 -12.061 1.00 0.00 H new ATOM 505 N PRO A 40 2.269 13.070 -6.467 1.00 0.00 N ATOM 506 CA PRO A 40 2.908 13.298 -5.167 1.00 0.00 C ATOM 507 C PRO A 40 4.045 12.317 -4.901 1.00 0.00 C ATOM 508 O PRO A 40 4.401 11.517 -5.765 1.00 0.00 O ATOM 509 CB PRO A 40 1.769 13.079 -4.168 1.00 0.00 C ATOM 510 CG PRO A 40 0.817 12.173 -4.871 1.00 0.00 C ATOM 511 CD PRO A 40 0.905 12.532 -6.329 1.00 0.00 C ATOM 0 HA PRO A 40 3.364 14.286 -5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.134 12.630 -3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.293 14.021 -3.898 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.081 11.128 -4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.198 12.307 -4.497 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.750 11.662 -6.967 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.152 13.270 -6.607 1.00 0.00 H new ATOM 519 N GLN A 41 4.611 12.386 -3.700 1.00 0.00 N ATOM 520 CA GLN A 41 5.708 11.504 -3.321 1.00 0.00 C ATOM 521 C GLN A 41 5.183 10.240 -2.648 1.00 0.00 C ATOM 522 O GLN A 41 4.909 10.233 -1.447 1.00 0.00 O ATOM 523 CB GLN A 41 6.675 12.231 -2.385 1.00 0.00 C ATOM 524 CG GLN A 41 8.098 11.701 -2.448 1.00 0.00 C ATOM 525 CD GLN A 41 9.129 12.751 -2.087 1.00 0.00 C ATOM 526 OE1 GLN A 41 9.012 13.913 -2.477 1.00 0.00 O ATOM 527 NE2 GLN A 41 10.148 12.348 -1.336 1.00 0.00 N ATOM 0 H GLN A 41 4.328 13.043 -2.973 1.00 0.00 H new ATOM 0 HA GLN A 41 6.239 11.216 -4.228 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.680 13.292 -2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.310 12.146 -1.362 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.196 10.853 -1.770 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.299 11.330 -3.453 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.206 11.375 -1.035 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.872 13.011 -1.061 1.00 0.00 H new ATOM 536 N ILE A 42 5.045 9.174 -3.428 1.00 0.00 N ATOM 537 CA ILE A 42 4.554 7.905 -2.906 1.00 0.00 C ATOM 538 C ILE A 42 5.652 7.155 -2.161 1.00 0.00 C ATOM 539 O ILE A 42 6.736 6.924 -2.697 1.00 0.00 O ATOM 540 CB ILE A 42 4.008 7.007 -4.032 1.00 0.00 C ATOM 541 CG1 ILE A 42 3.044 7.795 -4.921 1.00 0.00 C ATOM 542 CG2 ILE A 42 3.317 5.784 -3.447 1.00 0.00 C ATOM 543 CD1 ILE A 42 1.873 8.386 -4.167 1.00 0.00 C ATOM 0 H ILE A 42 5.266 9.164 -4.424 1.00 0.00 H new ATOM 0 HA ILE A 42 3.745 8.140 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 42 4.844 6.670 -4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.591 8.599 -5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.667 7.139 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.937 5.160 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.030 5.213 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.489 6.102 -2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.232 8.931 -4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.302 7.586 -3.697 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.241 9.068 -3.401 1.00 0.00 H new ATOM 555 N HIS A 43 5.364 6.774 -0.920 1.00 0.00 N ATOM 556 CA HIS A 43 6.327 6.046 -0.100 1.00 0.00 C ATOM 557 C HIS A 43 5.765 4.693 0.326 1.00 0.00 C ATOM 558 O HIS A 43 4.616 4.366 0.028 1.00 0.00 O ATOM 559 CB HIS A 43 6.701 6.868 1.134 1.00 0.00 C ATOM 560 CG HIS A 43 7.796 7.858 0.884 1.00 0.00 C ATOM 561 ND1 HIS A 43 7.560 9.188 0.607 1.00 0.00 N ATOM 562 CD2 HIS A 43 9.141 7.707 0.873 1.00 0.00 C ATOM 563 CE1 HIS A 43 8.712 9.811 0.434 1.00 0.00 C ATOM 564 NE2 HIS A 43 9.687 8.935 0.591 1.00 0.00 N ATOM 0 H HIS A 43 4.472 6.957 -0.460 1.00 0.00 H new ATOM 0 HA HIS A 43 7.222 5.875 -0.699 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.817 7.398 1.489 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.009 6.192 1.931 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.684 6.791 1.053 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.835 10.859 0.203 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.684 9.137 0.515 1.00 0.00 H new ATOM 573 N TRP A 44 6.583 3.912 1.022 1.00 0.00 N ATOM 574 CA TRP A 44 6.167 2.594 1.488 1.00 0.00 C ATOM 575 C TRP A 44 6.759 2.290 2.860 1.00 0.00 C ATOM 576 O TRP A 44 7.969 2.112 2.998 1.00 0.00 O ATOM 577 CB TRP A 44 6.592 1.519 0.486 1.00 0.00 C ATOM 578 CG TRP A 44 5.929 1.658 -0.851 1.00 0.00 C ATOM 579 CD1 TRP A 44 6.521 2.026 -2.025 1.00 0.00 C ATOM 580 CD2 TRP A 44 4.547 1.432 -1.150 1.00 0.00 C ATOM 581 NE1 TRP A 44 5.591 2.043 -3.036 1.00 0.00 N ATOM 582 CE2 TRP A 44 4.372 1.682 -2.525 1.00 0.00 C ATOM 583 CE3 TRP A 44 3.441 1.042 -0.391 1.00 0.00 C ATOM 584 CZ2 TRP A 44 3.136 1.554 -3.153 1.00 0.00 C ATOM 585 CZ3 TRP A 44 2.215 0.917 -1.015 1.00 0.00 C ATOM 586 CH2 TRP A 44 2.070 1.171 -2.386 1.00 0.00 C ATOM 0 H TRP A 44 7.537 4.168 1.276 1.00 0.00 H new ATOM 0 HA TRP A 44 5.080 2.592 1.573 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.673 1.563 0.354 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.361 0.537 0.898 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.567 2.268 -2.142 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.778 2.285 -4.009 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.543 0.842 0.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.023 1.750 -4.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.353 0.618 -0.437 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.099 1.062 -2.845 1.00 0.00 H new ATOM 597 N MET A 45 5.898 2.231 3.871 1.00 0.00 N ATOM 598 CA MET A 45 6.337 1.947 5.232 1.00 0.00 C ATOM 599 C MET A 45 5.870 0.565 5.676 1.00 0.00 C ATOM 600 O MET A 45 4.833 0.074 5.228 1.00 0.00 O ATOM 601 CB MET A 45 5.807 3.011 6.194 1.00 0.00 C ATOM 602 CG MET A 45 6.099 4.434 5.747 1.00 0.00 C ATOM 603 SD MET A 45 7.652 5.066 6.411 1.00 0.00 S ATOM 604 CE MET A 45 7.220 5.280 8.136 1.00 0.00 C ATOM 0 H MET A 45 4.893 2.376 3.773 1.00 0.00 H new ATOM 0 HA MET A 45 7.427 1.965 5.247 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.730 2.887 6.302 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.247 2.851 7.178 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.133 4.469 4.658 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.283 5.084 6.061 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.096 5.616 8.691 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.428 6.024 8.223 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.873 4.331 8.545 1.00 0.00 H new ATOM 614 N LYS A 46 6.641 -0.060 6.560 1.00 0.00 N ATOM 615 CA LYS A 46 6.306 -1.385 7.067 1.00 0.00 C ATOM 616 C LYS A 46 6.488 -1.452 8.580 1.00 0.00 C ATOM 617 O LYS A 46 7.600 -1.637 9.073 1.00 0.00 O ATOM 618 CB LYS A 46 7.176 -2.447 6.391 1.00 0.00 C ATOM 619 CG LYS A 46 6.560 -3.835 6.401 1.00 0.00 C ATOM 620 CD LYS A 46 7.346 -4.801 5.530 1.00 0.00 C ATOM 621 CE LYS A 46 7.109 -6.245 5.944 1.00 0.00 C ATOM 622 NZ LYS A 46 8.155 -7.156 5.403 1.00 0.00 N ATOM 0 H LYS A 46 7.503 0.331 6.940 1.00 0.00 H new ATOM 0 HA LYS A 46 5.259 -1.580 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.362 -2.149 5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.143 -2.484 6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.526 -4.211 7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.531 -3.780 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.058 -4.669 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.409 -4.572 5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.095 -6.313 7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.129 -6.568 5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.987 -8.122 5.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.118 -7.149 4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.092 -6.834 5.718 1.00 0.00 H new ATOM 636 N ASP A 47 5.388 -1.301 9.310 1.00 0.00 N ATOM 637 CA ASP A 47 5.426 -1.346 10.768 1.00 0.00 C ATOM 638 C ASP A 47 6.172 -0.140 11.329 1.00 0.00 C ATOM 639 O ASP A 47 6.718 -0.192 12.431 1.00 0.00 O ATOM 640 CB ASP A 47 6.092 -2.639 11.242 1.00 0.00 C ATOM 641 CG ASP A 47 6.047 -2.794 12.749 1.00 0.00 C ATOM 642 OD1 ASP A 47 5.061 -2.336 13.363 1.00 0.00 O ATOM 643 OD2 ASP A 47 6.998 -3.374 13.315 1.00 0.00 O ATOM 0 H ASP A 47 4.460 -1.146 8.917 1.00 0.00 H new ATOM 0 HA ASP A 47 4.400 -1.319 11.135 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.596 -3.491 10.777 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.130 -2.653 10.909 1.00 0.00 H new ATOM 648 N GLY A 48 6.192 0.947 10.563 1.00 0.00 N ATOM 649 CA GLY A 48 6.874 2.151 11.001 1.00 0.00 C ATOM 650 C GLY A 48 8.208 2.346 10.308 1.00 0.00 C ATOM 651 O GLY A 48 8.627 3.476 10.059 1.00 0.00 O ATOM 0 H GLY A 48 5.748 1.015 9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.238 3.015 10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.031 2.104 12.079 1.00 0.00 H new ATOM 655 N VAL A 49 8.878 1.241 9.995 1.00 0.00 N ATOM 656 CA VAL A 49 10.172 1.295 9.327 1.00 0.00 C ATOM 657 C VAL A 49 10.028 1.050 7.829 1.00 0.00 C ATOM 658 O VAL A 49 9.536 0.010 7.389 1.00 0.00 O ATOM 659 CB VAL A 49 11.151 0.261 9.913 1.00 0.00 C ATOM 660 CG1 VAL A 49 10.743 -1.148 9.511 1.00 0.00 C ATOM 661 CG2 VAL A 49 12.574 0.561 9.467 1.00 0.00 C ATOM 0 H VAL A 49 8.545 0.298 10.194 1.00 0.00 H new ATOM 0 HA VAL A 49 10.571 2.296 9.492 1.00 0.00 H new ATOM 0 HB VAL A 49 11.115 0.328 11.000 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.446 -1.865 9.934 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.741 -1.358 9.886 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.749 -1.232 8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.252 -0.180 9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 49 12.630 0.524 8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 49 12.861 1.555 9.811 1.00 0.00 H new ATOM 671 N PRO A 50 10.468 2.028 7.024 1.00 0.00 N ATOM 672 CA PRO A 50 10.400 1.942 5.562 1.00 0.00 C ATOM 673 C PRO A 50 11.368 0.908 4.997 1.00 0.00 C ATOM 674 O PRO A 50 12.230 0.395 5.711 1.00 0.00 O ATOM 675 CB PRO A 50 10.792 3.349 5.105 1.00 0.00 C ATOM 676 CG PRO A 50 11.624 3.890 6.216 1.00 0.00 C ATOM 677 CD PRO A 50 11.066 3.295 7.479 1.00 0.00 C ATOM 0 HA PRO A 50 9.415 1.627 5.217 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.351 3.320 4.170 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.912 3.968 4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.672 3.619 6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.578 4.979 6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.845 3.127 8.223 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.323 3.948 7.937 1.00 0.00 H new ATOM 685 N LEU A 51 11.221 0.608 3.711 1.00 0.00 N ATOM 686 CA LEU A 51 12.083 -0.365 3.049 1.00 0.00 C ATOM 687 C LEU A 51 12.944 0.307 1.985 1.00 0.00 C ATOM 688 O LEU A 51 12.575 1.328 1.405 1.00 0.00 O ATOM 689 CB LEU A 51 11.242 -1.474 2.416 1.00 0.00 C ATOM 690 CG LEU A 51 10.060 -1.977 3.245 1.00 0.00 C ATOM 691 CD1 LEU A 51 8.914 -2.402 2.340 1.00 0.00 C ATOM 692 CD2 LEU A 51 10.489 -3.130 4.141 1.00 0.00 C ATOM 0 H LEU A 51 10.513 1.025 3.106 1.00 0.00 H new ATOM 0 HA LEU A 51 12.741 -0.802 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.862 -1.113 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.895 -2.320 2.201 1.00 0.00 H new ATOM 0 HG LEU A 51 9.712 -1.160 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.082 -2.757 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.589 -1.551 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.249 -3.203 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.635 -3.475 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.864 -3.949 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.276 -2.793 4.816 1.00 0.00 H new ATOM 704 N PRO A 52 14.121 -0.280 1.718 1.00 0.00 N ATOM 705 CA PRO A 52 15.058 0.243 0.719 1.00 0.00 C ATOM 706 C PRO A 52 14.540 0.076 -0.705 1.00 0.00 C ATOM 707 O PRO A 52 14.930 -0.853 -1.414 1.00 0.00 O ATOM 708 CB PRO A 52 16.314 -0.604 0.934 1.00 0.00 C ATOM 709 CG PRO A 52 15.817 -1.875 1.532 1.00 0.00 C ATOM 710 CD PRO A 52 14.626 -1.500 2.370 1.00 0.00 C ATOM 0 HA PRO A 52 15.224 1.314 0.837 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.834 -0.786 -0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.020 -0.104 1.597 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.539 -2.589 0.756 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.588 -2.348 2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.876 -2.291 2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.906 -1.315 3.407 1.00 0.00 H new ATOM 718 N LEU A 53 13.660 0.981 -1.120 1.00 0.00 N ATOM 719 CA LEU A 53 13.089 0.934 -2.461 1.00 0.00 C ATOM 720 C LEU A 53 12.659 2.324 -2.918 1.00 0.00 C ATOM 721 O LEU A 53 12.351 3.202 -2.112 1.00 0.00 O ATOM 722 CB LEU A 53 11.893 -0.019 -2.494 1.00 0.00 C ATOM 723 CG LEU A 53 12.199 -1.490 -2.211 1.00 0.00 C ATOM 724 CD1 LEU A 53 10.918 -2.253 -1.908 1.00 0.00 C ATOM 725 CD2 LEU A 53 12.930 -2.119 -3.387 1.00 0.00 C ATOM 0 H LEU A 53 13.327 1.756 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 53 13.856 0.568 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.159 0.325 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.425 0.052 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 53 12.846 -1.544 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.155 -3.298 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.434 -1.818 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.246 -2.190 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 53 13.139 -3.166 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.308 -2.053 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.867 -1.590 -3.558 1.00 0.00 H new ATOM 737 N PRO A 54 12.635 2.530 -4.244 1.00 0.00 N ATOM 738 CA PRO A 54 12.241 3.811 -4.839 1.00 0.00 C ATOM 739 C PRO A 54 10.753 4.096 -4.668 1.00 0.00 C ATOM 740 O PRO A 54 9.905 3.220 -4.839 1.00 0.00 O ATOM 741 CB PRO A 54 12.586 3.635 -6.319 1.00 0.00 C ATOM 742 CG PRO A 54 12.534 2.164 -6.548 1.00 0.00 C ATOM 743 CD PRO A 54 12.989 1.529 -5.263 1.00 0.00 C ATOM 0 HA PRO A 54 12.747 4.653 -4.367 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.875 4.160 -6.956 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.574 4.036 -6.546 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.524 1.844 -6.805 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.180 1.875 -7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.486 0.579 -5.084 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.060 1.326 -5.272 1.00 0.00 H new ATOM 751 N PRO A 55 10.425 5.351 -4.324 1.00 0.00 N ATOM 752 CA PRO A 55 9.038 5.780 -4.124 1.00 0.00 C ATOM 753 C PRO A 55 8.253 5.829 -5.430 1.00 0.00 C ATOM 754 O PRO A 55 8.472 6.707 -6.265 1.00 0.00 O ATOM 755 CB PRO A 55 9.183 7.185 -3.534 1.00 0.00 C ATOM 756 CG PRO A 55 10.507 7.665 -4.020 1.00 0.00 C ATOM 757 CD PRO A 55 11.384 6.446 -4.104 1.00 0.00 C ATOM 0 HA PRO A 55 8.486 5.090 -3.486 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.378 7.840 -3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.145 7.163 -2.445 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.414 8.147 -4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.929 8.403 -3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.101 6.522 -4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.958 6.300 -3.189 1.00 0.00 H new ATOM 765 N SER A 56 7.337 4.881 -5.601 1.00 0.00 N ATOM 766 CA SER A 56 6.521 4.815 -6.807 1.00 0.00 C ATOM 767 C SER A 56 5.060 4.545 -6.461 1.00 0.00 C ATOM 768 O SER A 56 4.740 3.928 -5.445 1.00 0.00 O ATOM 769 CB SER A 56 7.045 3.724 -7.744 1.00 0.00 C ATOM 770 OG SER A 56 7.091 2.469 -7.089 1.00 0.00 O ATOM 0 H SER A 56 7.142 4.148 -4.919 1.00 0.00 H new ATOM 0 HA SER A 56 6.584 5.779 -7.312 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.404 3.656 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.041 3.991 -8.097 1.00 0.00 H new ATOM 0 HG SER A 56 6.384 1.890 -7.442 1.00 0.00 H new ATOM 776 N PRO A 57 4.150 5.017 -7.326 1.00 0.00 N ATOM 777 CA PRO A 57 2.708 4.839 -7.135 1.00 0.00 C ATOM 778 C PRO A 57 2.273 3.389 -7.319 1.00 0.00 C ATOM 779 O PRO A 57 1.089 3.068 -7.224 1.00 0.00 O ATOM 780 CB PRO A 57 2.093 5.723 -8.222 1.00 0.00 C ATOM 781 CG PRO A 57 3.141 5.807 -9.279 1.00 0.00 C ATOM 782 CD PRO A 57 4.460 5.761 -8.559 1.00 0.00 C ATOM 0 HA PRO A 57 2.396 5.103 -6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.172 5.289 -8.611 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.841 6.710 -7.834 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.052 4.980 -9.983 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.042 6.728 -9.854 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.224 5.257 -9.151 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.834 6.761 -8.341 1.00 0.00 H new ATOM 790 N VAL A 58 3.240 2.515 -7.582 1.00 0.00 N ATOM 791 CA VAL A 58 2.958 1.098 -7.778 1.00 0.00 C ATOM 792 C VAL A 58 4.060 0.230 -7.181 1.00 0.00 C ATOM 793 O VAL A 58 5.175 0.180 -7.701 1.00 0.00 O ATOM 794 CB VAL A 58 2.804 0.758 -9.272 1.00 0.00 C ATOM 795 CG1 VAL A 58 2.578 -0.735 -9.459 1.00 0.00 C ATOM 796 CG2 VAL A 58 1.665 1.558 -9.886 1.00 0.00 C ATOM 0 H VAL A 58 4.226 2.764 -7.664 1.00 0.00 H new ATOM 0 HA VAL A 58 2.018 0.889 -7.267 1.00 0.00 H new ATOM 0 HB VAL A 58 3.726 1.029 -9.785 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.471 -0.957 -10.521 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.429 -1.285 -9.057 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.671 -1.034 -8.933 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.571 1.305 -10.942 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.734 1.320 -9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.873 2.623 -9.785 1.00 0.00 H new ATOM 806 N LEU A 59 3.741 -0.452 -6.087 1.00 0.00 N ATOM 807 CA LEU A 59 4.704 -1.320 -5.418 1.00 0.00 C ATOM 808 C LEU A 59 4.359 -2.789 -5.640 1.00 0.00 C ATOM 809 O LEU A 59 3.319 -3.268 -5.188 1.00 0.00 O ATOM 810 CB LEU A 59 4.742 -1.014 -3.920 1.00 0.00 C ATOM 811 CG LEU A 59 5.324 -2.109 -3.025 1.00 0.00 C ATOM 812 CD1 LEU A 59 6.787 -2.351 -3.362 1.00 0.00 C ATOM 813 CD2 LEU A 59 5.167 -1.739 -1.558 1.00 0.00 C ATOM 0 H LEU A 59 2.823 -0.421 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 59 5.688 -1.128 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.323 -0.104 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.726 -0.802 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 59 4.773 -3.031 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.185 -3.133 -2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.874 -2.662 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.352 -1.432 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.587 -2.530 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.692 -0.805 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.109 -1.617 -1.325 1.00 0.00 H new ATOM 825 N ILE A 60 5.240 -3.499 -6.337 1.00 0.00 N ATOM 826 CA ILE A 60 5.030 -4.914 -6.615 1.00 0.00 C ATOM 827 C ILE A 60 5.897 -5.787 -5.714 1.00 0.00 C ATOM 828 O ILE A 60 7.123 -5.672 -5.712 1.00 0.00 O ATOM 829 CB ILE A 60 5.339 -5.250 -8.086 1.00 0.00 C ATOM 830 CG1 ILE A 60 4.462 -4.412 -9.019 1.00 0.00 C ATOM 831 CG2 ILE A 60 5.130 -6.735 -8.346 1.00 0.00 C ATOM 832 CD1 ILE A 60 5.070 -3.075 -9.380 1.00 0.00 C ATOM 0 H ILE A 60 6.105 -3.118 -6.719 1.00 0.00 H new ATOM 0 HA ILE A 60 3.979 -5.122 -6.415 1.00 0.00 H new ATOM 0 HB ILE A 60 6.383 -5.009 -8.286 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.275 -4.976 -9.933 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.495 -4.246 -8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.352 -6.956 -9.390 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.793 -7.314 -7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.095 -7.000 -8.132 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.394 -2.535 -10.043 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.231 -2.492 -8.473 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.024 -3.233 -9.884 1.00 0.00 H new ATOM 844 N LEU A 61 5.252 -6.660 -4.948 1.00 0.00 N ATOM 845 CA LEU A 61 5.964 -7.555 -4.042 1.00 0.00 C ATOM 846 C LEU A 61 5.861 -9.002 -4.513 1.00 0.00 C ATOM 847 O LEU A 61 5.125 -9.813 -3.950 1.00 0.00 O ATOM 848 CB LEU A 61 5.404 -7.427 -2.624 1.00 0.00 C ATOM 849 CG LEU A 61 6.393 -7.685 -1.486 1.00 0.00 C ATOM 850 CD1 LEU A 61 7.499 -6.641 -1.494 1.00 0.00 C ATOM 851 CD2 LEU A 61 5.673 -7.693 -0.146 1.00 0.00 C ATOM 0 H LEU A 61 4.238 -6.767 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 61 7.015 -7.268 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.998 -6.423 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.571 -8.122 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 61 6.846 -8.665 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.193 -6.840 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.033 -6.684 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.064 -5.650 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.392 -7.878 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.193 -6.728 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.918 -8.479 -0.143 1.00 0.00 H new ATOM 863 N PRO A 62 6.617 -9.336 -5.570 1.00 0.00 N ATOM 864 CA PRO A 62 6.630 -10.687 -6.138 1.00 0.00 C ATOM 865 C PRO A 62 7.301 -11.698 -5.215 1.00 0.00 C ATOM 866 O PRO A 62 8.213 -11.355 -4.464 1.00 0.00 O ATOM 867 CB PRO A 62 7.438 -10.521 -7.427 1.00 0.00 C ATOM 868 CG PRO A 62 8.309 -9.338 -7.179 1.00 0.00 C ATOM 869 CD PRO A 62 7.517 -8.420 -6.290 1.00 0.00 C ATOM 0 HA PRO A 62 5.623 -11.072 -6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.030 -11.411 -7.640 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.786 -10.359 -8.285 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.243 -9.634 -6.701 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.572 -8.844 -8.114 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.162 -7.869 -5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.961 -7.682 -6.868 1.00 0.00 H new ATOM 877 N GLU A 63 6.843 -12.944 -5.277 1.00 0.00 N ATOM 878 CA GLU A 63 7.401 -14.004 -4.445 1.00 0.00 C ATOM 879 C GLU A 63 7.231 -13.679 -2.964 1.00 0.00 C ATOM 880 O GLU A 63 8.201 -13.663 -2.206 1.00 0.00 O ATOM 881 CB GLU A 63 8.882 -14.210 -4.767 1.00 0.00 C ATOM 882 CG GLU A 63 9.126 -15.114 -5.963 1.00 0.00 C ATOM 883 CD GLU A 63 10.583 -15.148 -6.382 1.00 0.00 C ATOM 884 OE1 GLU A 63 11.412 -15.663 -5.604 1.00 0.00 O ATOM 885 OE2 GLU A 63 10.893 -14.659 -7.488 1.00 0.00 O ATOM 0 H GLU A 63 6.088 -13.244 -5.894 1.00 0.00 H new ATOM 0 HA GLU A 63 6.859 -14.924 -4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.342 -13.240 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.379 -14.634 -3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.798 -16.125 -5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.519 -14.773 -6.801 1.00 0.00 H new ATOM 892 N ILE A 64 5.992 -13.421 -2.559 1.00 0.00 N ATOM 893 CA ILE A 64 5.694 -13.098 -1.169 1.00 0.00 C ATOM 894 C ILE A 64 5.838 -14.325 -0.276 1.00 0.00 C ATOM 895 O ILE A 64 5.527 -15.443 -0.685 1.00 0.00 O ATOM 896 CB ILE A 64 4.271 -12.529 -1.016 1.00 0.00 C ATOM 897 CG1 ILE A 64 4.287 -11.007 -1.175 1.00 0.00 C ATOM 898 CG2 ILE A 64 3.687 -12.920 0.333 1.00 0.00 C ATOM 899 CD1 ILE A 64 2.927 -10.417 -1.477 1.00 0.00 C ATOM 0 H ILE A 64 5.178 -13.429 -3.174 1.00 0.00 H new ATOM 0 HA ILE A 64 6.414 -12.341 -0.860 1.00 0.00 H new ATOM 0 HB ILE A 64 3.641 -12.951 -1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.674 -10.558 -0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.976 -10.741 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.681 -12.511 0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.645 -14.006 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.316 -12.523 1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.014 -9.335 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.546 -10.838 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.240 -10.652 -0.664 1.00 0.00 H new ATOM 911 N GLY A 65 6.310 -14.108 0.948 1.00 0.00 N ATOM 912 CA GLY A 65 6.485 -15.205 1.881 1.00 0.00 C ATOM 913 C GLY A 65 6.018 -14.856 3.281 1.00 0.00 C ATOM 914 O GLY A 65 5.271 -13.900 3.489 1.00 0.00 O ATOM 0 H GLY A 65 6.574 -13.192 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.933 -16.074 1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.537 -15.487 1.912 1.00 0.00 H new ATOM 918 N PRO A 66 6.462 -15.645 4.270 1.00 0.00 N ATOM 919 CA PRO A 66 6.097 -15.435 5.675 1.00 0.00 C ATOM 920 C PRO A 66 6.735 -14.179 6.257 1.00 0.00 C ATOM 921 O PRO A 66 6.163 -13.531 7.134 1.00 0.00 O ATOM 922 CB PRO A 66 6.639 -16.684 6.373 1.00 0.00 C ATOM 923 CG PRO A 66 7.755 -17.151 5.503 1.00 0.00 C ATOM 924 CD PRO A 66 7.355 -16.803 4.095 1.00 0.00 C ATOM 0 HA PRO A 66 5.024 -15.293 5.801 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.991 -16.454 7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.868 -17.448 6.472 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.692 -16.664 5.774 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.911 -18.224 5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.221 -16.554 3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.846 -17.633 3.605 1.00 0.00 H new ATOM 932 N GLN A 67 7.922 -13.840 5.765 1.00 0.00 N ATOM 933 CA GLN A 67 8.637 -12.661 6.238 1.00 0.00 C ATOM 934 C GLN A 67 8.050 -11.390 5.634 1.00 0.00 C ATOM 935 O GLN A 67 8.169 -10.306 6.208 1.00 0.00 O ATOM 936 CB GLN A 67 10.123 -12.766 5.891 1.00 0.00 C ATOM 937 CG GLN A 67 10.787 -14.023 6.430 1.00 0.00 C ATOM 938 CD GLN A 67 11.222 -13.879 7.875 1.00 0.00 C ATOM 939 OE1 GLN A 67 10.760 -14.612 8.750 1.00 0.00 O ATOM 940 NE2 GLN A 67 12.114 -12.931 8.134 1.00 0.00 N ATOM 0 H GLN A 67 8.409 -14.365 5.039 1.00 0.00 H new ATOM 0 HA GLN A 67 8.527 -12.611 7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.237 -12.741 4.807 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.642 -11.893 6.286 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.094 -14.860 6.345 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.655 -14.263 5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.471 -12.346 7.378 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.443 -12.787 9.089 1.00 0.00 H new ATOM 949 N ASP A 68 7.418 -11.529 4.475 1.00 0.00 N ATOM 950 CA ASP A 68 6.811 -10.391 3.793 1.00 0.00 C ATOM 951 C ASP A 68 5.593 -9.886 4.559 1.00 0.00 C ATOM 952 O ASP A 68 5.307 -8.689 4.568 1.00 0.00 O ATOM 953 CB ASP A 68 6.410 -10.778 2.369 1.00 0.00 C ATOM 954 CG ASP A 68 7.608 -11.090 1.494 1.00 0.00 C ATOM 955 OD1 ASP A 68 8.613 -11.607 2.026 1.00 0.00 O ATOM 956 OD2 ASP A 68 7.541 -10.818 0.277 1.00 0.00 O ATOM 0 H ASP A 68 7.312 -12.418 3.987 1.00 0.00 H new ATOM 0 HA ASP A 68 7.548 -9.589 3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.753 -11.647 2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.839 -9.964 1.922 1.00 0.00 H new ATOM 961 N GLN A 69 4.878 -10.806 5.199 1.00 0.00 N ATOM 962 CA GLN A 69 3.689 -10.452 5.965 1.00 0.00 C ATOM 963 C GLN A 69 3.965 -9.263 6.879 1.00 0.00 C ATOM 964 O GLN A 69 5.013 -9.188 7.519 1.00 0.00 O ATOM 965 CB GLN A 69 3.217 -11.648 6.794 1.00 0.00 C ATOM 966 CG GLN A 69 2.525 -12.723 5.970 1.00 0.00 C ATOM 967 CD GLN A 69 1.917 -13.815 6.829 1.00 0.00 C ATOM 968 OE1 GLN A 69 1.002 -13.567 7.613 1.00 0.00 O ATOM 969 NE2 GLN A 69 2.425 -15.033 6.684 1.00 0.00 N ATOM 0 H GLN A 69 5.101 -11.801 5.202 1.00 0.00 H new ATOM 0 HA GLN A 69 2.904 -10.173 5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.074 -12.088 7.303 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.533 -11.297 7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.743 -12.264 5.365 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.244 -13.166 5.280 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.184 -15.194 6.022 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.056 -15.808 7.235 1.00 0.00 H new ATOM 978 N GLY A 70 3.015 -8.334 6.936 1.00 0.00 N ATOM 979 CA GLY A 70 3.175 -7.160 7.774 1.00 0.00 C ATOM 980 C GLY A 70 2.293 -6.008 7.333 1.00 0.00 C ATOM 981 O GLY A 70 1.534 -6.130 6.371 1.00 0.00 O ATOM 0 H GLY A 70 2.138 -8.374 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.939 -7.419 8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.218 -6.843 7.755 1.00 0.00 H new ATOM 985 N THR A 71 2.391 -4.886 8.039 1.00 0.00 N ATOM 986 CA THR A 71 1.594 -3.709 7.717 1.00 0.00 C ATOM 987 C THR A 71 2.210 -2.926 6.564 1.00 0.00 C ATOM 988 O THR A 71 3.424 -2.722 6.518 1.00 0.00 O ATOM 989 CB THR A 71 1.450 -2.778 8.936 1.00 0.00 C ATOM 990 OG1 THR A 71 2.728 -2.575 9.551 1.00 0.00 O ATOM 991 CG2 THR A 71 0.479 -3.361 9.951 1.00 0.00 C ATOM 0 H THR A 71 3.014 -4.768 8.838 1.00 0.00 H new ATOM 0 HA THR A 71 0.607 -4.066 7.423 1.00 0.00 H new ATOM 0 HB THR A 71 1.058 -1.821 8.591 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.608 -2.420 10.511 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.394 -2.686 10.803 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.500 -3.486 9.488 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.846 -4.329 10.291 1.00 0.00 H new ATOM 999 N TYR A 72 1.368 -2.490 5.634 1.00 0.00 N ATOM 1000 CA TYR A 72 1.831 -1.731 4.479 1.00 0.00 C ATOM 1001 C TYR A 72 1.028 -0.444 4.315 1.00 0.00 C ATOM 1002 O TYR A 72 -0.202 -0.455 4.369 1.00 0.00 O ATOM 1003 CB TYR A 72 1.723 -2.577 3.209 1.00 0.00 C ATOM 1004 CG TYR A 72 2.843 -3.580 3.053 1.00 0.00 C ATOM 1005 CD1 TYR A 72 2.823 -4.786 3.743 1.00 0.00 C ATOM 1006 CD2 TYR A 72 3.921 -3.323 2.215 1.00 0.00 C ATOM 1007 CE1 TYR A 72 3.845 -5.705 3.604 1.00 0.00 C ATOM 1008 CE2 TYR A 72 4.946 -4.237 2.069 1.00 0.00 C ATOM 1009 CZ TYR A 72 4.904 -5.426 2.766 1.00 0.00 C ATOM 1010 OH TYR A 72 5.923 -6.340 2.624 1.00 0.00 O ATOM 0 H TYR A 72 0.361 -2.649 5.658 1.00 0.00 H new ATOM 0 HA TYR A 72 2.876 -1.468 4.645 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.770 -3.107 3.215 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.715 -1.916 2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.994 -5.009 4.399 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.958 -2.392 1.668 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.815 -6.637 4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.776 -4.022 1.412 1.00 0.00 H new ATOM 0 HH TYR A 72 5.772 -7.095 3.230 1.00 0.00 H new ATOM 1020 N SER A 73 1.733 0.665 4.115 1.00 0.00 N ATOM 1021 CA SER A 73 1.088 1.962 3.947 1.00 0.00 C ATOM 1022 C SER A 73 1.863 2.830 2.961 1.00 0.00 C ATOM 1023 O SER A 73 2.965 2.479 2.539 1.00 0.00 O ATOM 1024 CB SER A 73 0.974 2.677 5.294 1.00 0.00 C ATOM 1025 OG SER A 73 0.118 3.803 5.203 1.00 0.00 O ATOM 0 H SER A 73 2.751 0.691 4.065 1.00 0.00 H new ATOM 0 HA SER A 73 0.088 1.794 3.548 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.592 1.986 6.045 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.963 2.994 5.626 1.00 0.00 H new ATOM 0 HG SER A 73 -0.653 3.676 5.794 1.00 0.00 H new ATOM 1031 N CYS A 74 1.279 3.967 2.597 1.00 0.00 N ATOM 1032 CA CYS A 74 1.912 4.887 1.661 1.00 0.00 C ATOM 1033 C CYS A 74 1.756 6.332 2.128 1.00 0.00 C ATOM 1034 O CYS A 74 0.695 6.729 2.609 1.00 0.00 O ATOM 1035 CB CYS A 74 1.307 4.724 0.265 1.00 0.00 C ATOM 1036 SG CYS A 74 -0.513 4.646 0.247 1.00 0.00 S ATOM 0 H CYS A 74 0.367 4.273 2.937 1.00 0.00 H new ATOM 0 HA CYS A 74 2.975 4.649 1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.630 5.557 -0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.703 3.815 -0.187 1.00 0.00 H new ATOM 1041 N VAL A 75 2.822 7.113 1.983 1.00 0.00 N ATOM 1042 CA VAL A 75 2.804 8.513 2.389 1.00 0.00 C ATOM 1043 C VAL A 75 2.863 9.437 1.177 1.00 0.00 C ATOM 1044 O VAL A 75 3.530 9.137 0.187 1.00 0.00 O ATOM 1045 CB VAL A 75 3.980 8.841 3.327 1.00 0.00 C ATOM 1046 CG1 VAL A 75 3.873 10.268 3.841 1.00 0.00 C ATOM 1047 CG2 VAL A 75 4.031 7.852 4.483 1.00 0.00 C ATOM 0 H VAL A 75 3.708 6.800 1.588 1.00 0.00 H new ATOM 0 HA VAL A 75 1.867 8.676 2.922 1.00 0.00 H new ATOM 0 HB VAL A 75 4.908 8.753 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.713 10.481 4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.890 10.960 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.939 10.388 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.868 8.099 5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.101 7.906 5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.160 6.843 4.093 1.00 0.00 H new ATOM 1057 N ALA A 76 2.161 10.562 1.263 1.00 0.00 N ATOM 1058 CA ALA A 76 2.135 11.532 0.175 1.00 0.00 C ATOM 1059 C ALA A 76 2.461 12.933 0.681 1.00 0.00 C ATOM 1060 O ALA A 76 1.566 13.697 1.044 1.00 0.00 O ATOM 1061 CB ALA A 76 0.777 11.518 -0.512 1.00 0.00 C ATOM 0 H ALA A 76 1.602 10.824 2.075 1.00 0.00 H new ATOM 0 HA ALA A 76 2.899 11.250 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.772 12.247 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.584 10.524 -0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.001 11.773 0.210 1.00 0.00 H new ATOM 1067 N THR A 77 3.748 13.265 0.703 1.00 0.00 N ATOM 1068 CA THR A 77 4.192 14.574 1.165 1.00 0.00 C ATOM 1069 C THR A 77 4.216 15.582 0.022 1.00 0.00 C ATOM 1070 O THR A 77 4.051 15.219 -1.143 1.00 0.00 O ATOM 1071 CB THR A 77 5.593 14.500 1.800 1.00 0.00 C ATOM 1072 OG1 THR A 77 5.905 15.739 2.447 1.00 0.00 O ATOM 1073 CG2 THR A 77 6.648 14.192 0.747 1.00 0.00 C ATOM 0 H THR A 77 4.501 12.645 0.406 1.00 0.00 H new ATOM 0 HA THR A 77 3.477 14.902 1.919 1.00 0.00 H new ATOM 0 HB THR A 77 5.592 13.697 2.537 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.797 15.682 2.849 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.630 14.145 1.218 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.424 13.234 0.277 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.647 14.976 -0.010 1.00 0.00 H new ATOM 1081 N HIS A 78 4.425 16.850 0.362 1.00 0.00 N ATOM 1082 CA HIS A 78 4.472 17.912 -0.637 1.00 0.00 C ATOM 1083 C HIS A 78 4.943 19.223 -0.015 1.00 0.00 C ATOM 1084 O HIS A 78 5.312 19.267 1.158 1.00 0.00 O ATOM 1085 CB HIS A 78 3.096 18.101 -1.276 1.00 0.00 C ATOM 1086 CG HIS A 78 1.964 17.999 -0.302 1.00 0.00 C ATOM 1087 ND1 HIS A 78 1.017 16.997 -0.350 1.00 0.00 N ATOM 1088 CD2 HIS A 78 1.630 18.779 0.753 1.00 0.00 C ATOM 1089 CE1 HIS A 78 0.149 17.166 0.631 1.00 0.00 C ATOM 1090 NE2 HIS A 78 0.499 18.240 1.316 1.00 0.00 N ATOM 0 H HIS A 78 4.564 17.167 1.321 1.00 0.00 H new ATOM 0 HA HIS A 78 5.185 17.620 -1.408 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.061 19.077 -1.761 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.961 17.352 -2.057 1.00 0.00 H new ATOM 0 HD1 HIS A 78 0.991 16.243 -1.036 1.00 0.00 H new ATOM 0 HD2 HIS A 78 2.155 19.661 1.089 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -0.702 16.534 0.838 1.00 0.00 H new ATOM 1099 N SER A 79 4.927 20.288 -0.809 1.00 0.00 N ATOM 1100 CA SER A 79 5.356 21.600 -0.338 1.00 0.00 C ATOM 1101 C SER A 79 4.700 21.938 0.997 1.00 0.00 C ATOM 1102 O SER A 79 5.347 22.464 1.903 1.00 0.00 O ATOM 1103 CB SER A 79 5.016 22.674 -1.373 1.00 0.00 C ATOM 1104 OG SER A 79 3.686 22.529 -1.840 1.00 0.00 O ATOM 0 H SER A 79 4.622 20.269 -1.782 1.00 0.00 H new ATOM 0 HA SER A 79 6.436 21.573 -0.196 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.144 23.662 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.709 22.607 -2.212 1.00 0.00 H new ATOM 0 HG SER A 79 3.493 23.228 -2.499 1.00 0.00 H new ATOM 1110 N SER A 80 3.412 21.633 1.111 1.00 0.00 N ATOM 1111 CA SER A 80 2.666 21.908 2.333 1.00 0.00 C ATOM 1112 C SER A 80 2.886 20.804 3.364 1.00 0.00 C ATOM 1113 O SER A 80 2.091 20.635 4.289 1.00 0.00 O ATOM 1114 CB SER A 80 1.173 22.044 2.025 1.00 0.00 C ATOM 1115 OG SER A 80 0.453 22.464 3.171 1.00 0.00 O ATOM 0 H SER A 80 2.863 21.195 0.371 1.00 0.00 H new ATOM 0 HA SER A 80 3.031 22.847 2.748 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.029 22.762 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.782 21.088 1.676 1.00 0.00 H new ATOM 0 HG SER A 80 0.783 21.984 3.959 1.00 0.00 H new ATOM 1121 N HIS A 81 3.971 20.055 3.197 1.00 0.00 N ATOM 1122 CA HIS A 81 4.297 18.967 4.112 1.00 0.00 C ATOM 1123 C HIS A 81 3.029 18.329 4.672 1.00 0.00 C ATOM 1124 O HIS A 81 2.853 18.237 5.886 1.00 0.00 O ATOM 1125 CB HIS A 81 5.172 19.480 5.256 1.00 0.00 C ATOM 1126 CG HIS A 81 4.689 20.768 5.848 1.00 0.00 C ATOM 1127 ND1 HIS A 81 3.646 20.838 6.748 1.00 0.00 N ATOM 1128 CD2 HIS A 81 5.113 22.040 5.666 1.00 0.00 C ATOM 1129 CE1 HIS A 81 3.449 22.098 7.093 1.00 0.00 C ATOM 1130 NE2 HIS A 81 4.326 22.848 6.450 1.00 0.00 N ATOM 0 H HIS A 81 4.639 20.181 2.437 1.00 0.00 H new ATOM 0 HA HIS A 81 4.848 18.209 3.555 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.213 18.723 6.039 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.190 19.617 4.891 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.111 20.041 7.093 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.920 22.360 5.024 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.699 22.454 7.783 1.00 0.00 H new ATOM 1139 N GLY A 82 2.148 17.891 3.777 1.00 0.00 N ATOM 1140 CA GLY A 82 0.908 17.269 4.201 1.00 0.00 C ATOM 1141 C GLY A 82 0.850 15.794 3.853 1.00 0.00 C ATOM 1142 O GLY A 82 0.030 15.357 3.045 1.00 0.00 O ATOM 0 H GLY A 82 2.271 17.956 2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.795 17.390 5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.069 17.783 3.733 1.00 0.00 H new ATOM 1146 N PRO A 83 1.738 15.001 4.471 1.00 0.00 N ATOM 1147 CA PRO A 83 1.805 13.556 4.237 1.00 0.00 C ATOM 1148 C PRO A 83 0.600 12.819 4.810 1.00 0.00 C ATOM 1149 O PRO A 83 0.456 12.699 6.027 1.00 0.00 O ATOM 1150 CB PRO A 83 3.085 13.138 4.966 1.00 0.00 C ATOM 1151 CG PRO A 83 3.273 14.170 6.023 1.00 0.00 C ATOM 1152 CD PRO A 83 2.744 15.454 5.446 1.00 0.00 C ATOM 0 HA PRO A 83 1.805 13.315 3.174 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.987 12.142 5.398 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.936 13.108 4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.736 13.900 6.932 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.325 14.267 6.291 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.302 16.088 6.215 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.533 16.035 4.969 1.00 0.00 H new ATOM 1160 N GLN A 84 -0.263 12.326 3.927 1.00 0.00 N ATOM 1161 CA GLN A 84 -1.456 11.601 4.347 1.00 0.00 C ATOM 1162 C GLN A 84 -1.205 10.097 4.351 1.00 0.00 C ATOM 1163 O GLN A 84 -1.517 9.404 3.383 1.00 0.00 O ATOM 1164 CB GLN A 84 -2.631 11.932 3.425 1.00 0.00 C ATOM 1165 CG GLN A 84 -3.417 13.159 3.858 1.00 0.00 C ATOM 1166 CD GLN A 84 -4.350 12.875 5.019 1.00 0.00 C ATOM 1167 OE1 GLN A 84 -4.608 11.719 5.354 1.00 0.00 O ATOM 1168 NE2 GLN A 84 -4.861 13.932 5.640 1.00 0.00 N ATOM 0 H GLN A 84 -0.158 12.416 2.916 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.702 11.913 5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.256 12.089 2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.304 11.075 3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.722 13.950 4.140 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.997 13.531 3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.620 14.873 5.328 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.495 13.803 6.429 1.00 0.00 H new ATOM 1177 N GLU A 85 -0.639 9.599 5.446 1.00 0.00 N ATOM 1178 CA GLU A 85 -0.345 8.176 5.574 1.00 0.00 C ATOM 1179 C GLU A 85 -1.628 7.350 5.531 1.00 0.00 C ATOM 1180 O GLU A 85 -2.455 7.421 6.441 1.00 0.00 O ATOM 1181 CB GLU A 85 0.407 7.903 6.878 1.00 0.00 C ATOM 1182 CG GLU A 85 1.081 6.542 6.918 1.00 0.00 C ATOM 1183 CD GLU A 85 1.802 6.286 8.227 1.00 0.00 C ATOM 1184 OE1 GLU A 85 2.986 6.669 8.337 1.00 0.00 O ATOM 1185 OE2 GLU A 85 1.183 5.703 9.141 1.00 0.00 O ATOM 0 H GLU A 85 -0.375 10.159 6.257 1.00 0.00 H new ATOM 0 HA GLU A 85 0.284 7.884 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.161 8.677 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.290 7.979 7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.332 5.765 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.792 6.469 6.095 1.00 0.00 H new ATOM 1192 N SER A 86 -1.787 6.568 4.468 1.00 0.00 N ATOM 1193 CA SER A 86 -2.970 5.732 4.304 1.00 0.00 C ATOM 1194 C SER A 86 -3.074 4.710 5.433 1.00 0.00 C ATOM 1195 O SER A 86 -2.181 4.605 6.274 1.00 0.00 O ATOM 1196 CB SER A 86 -2.930 5.014 2.954 1.00 0.00 C ATOM 1197 OG SER A 86 -3.414 5.850 1.917 1.00 0.00 O ATOM 0 H SER A 86 -1.111 6.496 3.707 1.00 0.00 H new ATOM 0 HA SER A 86 -3.848 6.377 4.339 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.908 4.708 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.531 4.106 3.004 1.00 0.00 H new ATOM 0 HG SER A 86 -2.799 5.815 1.155 1.00 0.00 H new ATOM 1203 N ARG A 87 -4.170 3.960 5.444 1.00 0.00 N ATOM 1204 CA ARG A 87 -4.393 2.948 6.469 1.00 0.00 C ATOM 1205 C ARG A 87 -3.395 1.802 6.328 1.00 0.00 C ATOM 1206 O ARG A 87 -3.042 1.407 5.217 1.00 0.00 O ATOM 1207 CB ARG A 87 -5.821 2.407 6.381 1.00 0.00 C ATOM 1208 CG ARG A 87 -6.852 3.295 7.058 1.00 0.00 C ATOM 1209 CD ARG A 87 -8.108 2.517 7.419 1.00 0.00 C ATOM 1210 NE ARG A 87 -9.093 2.539 6.341 1.00 0.00 N ATOM 1211 CZ ARG A 87 -10.029 1.610 6.183 1.00 0.00 C ATOM 1212 NH1 ARG A 87 -10.107 0.591 7.028 1.00 0.00 N ATOM 1213 NH2 ARG A 87 -10.890 1.698 5.177 1.00 0.00 N ATOM 0 H ARG A 87 -4.918 4.034 4.754 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.248 3.416 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.091 2.287 5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.854 1.416 6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.422 3.732 7.959 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.112 4.121 6.397 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.842 1.485 7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.549 2.939 8.322 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.060 3.309 5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.447 0.519 7.802 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.827 -0.121 6.904 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.833 2.480 4.524 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.608 0.984 5.057 1.00 0.00 H new ATOM 1227 N ALA A 88 -2.944 1.274 7.461 1.00 0.00 N ATOM 1228 CA ALA A 88 -1.988 0.174 7.464 1.00 0.00 C ATOM 1229 C ALA A 88 -2.684 -1.159 7.213 1.00 0.00 C ATOM 1230 O ALA A 88 -3.519 -1.594 8.007 1.00 0.00 O ATOM 1231 CB ALA A 88 -1.230 0.136 8.783 1.00 0.00 C ATOM 0 H ALA A 88 -3.226 1.591 8.389 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.278 0.341 6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.520 -0.691 8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.693 1.074 8.921 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.934 -0.003 9.603 1.00 0.00 H new ATOM 1237 N VAL A 89 -2.337 -1.804 6.103 1.00 0.00 N ATOM 1238 CA VAL A 89 -2.929 -3.088 5.748 1.00 0.00 C ATOM 1239 C VAL A 89 -1.989 -4.239 6.087 1.00 0.00 C ATOM 1240 O VAL A 89 -0.824 -4.241 5.688 1.00 0.00 O ATOM 1241 CB VAL A 89 -3.278 -3.149 4.249 1.00 0.00 C ATOM 1242 CG1 VAL A 89 -2.029 -2.964 3.402 1.00 0.00 C ATOM 1243 CG2 VAL A 89 -3.968 -4.464 3.917 1.00 0.00 C ATOM 0 H VAL A 89 -1.649 -1.458 5.434 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.844 -3.187 6.331 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.966 -2.335 4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.295 -3.010 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.581 -1.995 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.314 -3.754 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.208 -4.491 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.305 -5.294 4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.886 -4.550 4.498 1.00 0.00 H new ATOM 1253 N SER A 90 -2.502 -5.218 6.826 1.00 0.00 N ATOM 1254 CA SER A 90 -1.707 -6.374 7.222 1.00 0.00 C ATOM 1255 C SER A 90 -1.810 -7.486 6.181 1.00 0.00 C ATOM 1256 O SER A 90 -2.866 -8.094 6.009 1.00 0.00 O ATOM 1257 CB SER A 90 -2.167 -6.893 8.586 1.00 0.00 C ATOM 1258 OG SER A 90 -3.463 -7.460 8.505 1.00 0.00 O ATOM 0 H SER A 90 -3.465 -5.233 7.162 1.00 0.00 H new ATOM 0 HA SER A 90 -0.665 -6.061 7.293 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.462 -7.640 8.951 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.168 -6.076 9.308 1.00 0.00 H new ATOM 0 HG SER A 90 -3.663 -7.688 7.573 1.00 0.00 H new ATOM 1264 N ILE A 91 -0.704 -7.744 5.491 1.00 0.00 N ATOM 1265 CA ILE A 91 -0.669 -8.783 4.469 1.00 0.00 C ATOM 1266 C ILE A 91 -0.366 -10.146 5.080 1.00 0.00 C ATOM 1267 O ILE A 91 0.691 -10.350 5.677 1.00 0.00 O ATOM 1268 CB ILE A 91 0.384 -8.473 3.388 1.00 0.00 C ATOM 1269 CG1 ILE A 91 0.106 -7.110 2.751 1.00 0.00 C ATOM 1270 CG2 ILE A 91 0.395 -9.566 2.330 1.00 0.00 C ATOM 1271 CD1 ILE A 91 -1.133 -7.089 1.884 1.00 0.00 C ATOM 0 H ILE A 91 0.178 -7.249 5.621 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.657 -8.806 4.008 1.00 0.00 H new ATOM 0 HB ILE A 91 1.367 -8.440 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.001 -6.365 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.966 -6.817 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.144 -9.332 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.636 -10.521 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.587 -9.628 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.268 -6.091 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.023 -7.810 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.003 -7.350 2.486 1.00 0.00 H new ATOM 1283 N SER A 92 -1.301 -11.078 4.927 1.00 0.00 N ATOM 1284 CA SER A 92 -1.136 -12.423 5.466 1.00 0.00 C ATOM 1285 C SER A 92 -1.188 -13.465 4.352 1.00 0.00 C ATOM 1286 O SER A 92 -1.675 -13.192 3.254 1.00 0.00 O ATOM 1287 CB SER A 92 -2.221 -12.716 6.504 1.00 0.00 C ATOM 1288 OG SER A 92 -1.896 -12.138 7.757 1.00 0.00 O ATOM 0 H SER A 92 -2.181 -10.926 4.434 1.00 0.00 H new ATOM 0 HA SER A 92 -0.159 -12.478 5.946 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.177 -12.325 6.156 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.340 -13.794 6.617 1.00 0.00 H new ATOM 0 HG SER A 92 -0.991 -12.409 8.017 1.00 0.00 H new ATOM 1294 N ILE A 93 -0.683 -14.659 4.643 1.00 0.00 N ATOM 1295 CA ILE A 93 -0.673 -15.742 3.668 1.00 0.00 C ATOM 1296 C ILE A 93 -1.922 -16.608 3.795 1.00 0.00 C ATOM 1297 O ILE A 93 -2.298 -17.015 4.894 1.00 0.00 O ATOM 1298 CB ILE A 93 0.574 -16.633 3.829 1.00 0.00 C ATOM 1299 CG1 ILE A 93 1.846 -15.810 3.615 1.00 0.00 C ATOM 1300 CG2 ILE A 93 0.520 -17.799 2.854 1.00 0.00 C ATOM 1301 CD1 ILE A 93 3.116 -16.572 3.922 1.00 0.00 C ATOM 0 H ILE A 93 -0.275 -14.901 5.546 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.654 -15.278 2.682 1.00 0.00 H new ATOM 0 HB ILE A 93 0.589 -17.033 4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.878 -15.468 2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.804 -14.921 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.407 -18.420 2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.371 -18.396 3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.485 -17.418 1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.978 -15.928 3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.106 -16.891 4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.181 -17.447 3.275 1.00 0.00 H new ATOM 1313 N ILE A 94 -2.559 -16.886 2.662 1.00 0.00 N ATOM 1314 CA ILE A 94 -3.764 -17.706 2.646 1.00 0.00 C ATOM 1315 C ILE A 94 -3.420 -19.190 2.709 1.00 0.00 C ATOM 1316 O ILE A 94 -2.460 -19.641 2.086 1.00 0.00 O ATOM 1317 CB ILE A 94 -4.610 -17.439 1.387 1.00 0.00 C ATOM 1318 CG1 ILE A 94 -5.021 -15.966 1.324 1.00 0.00 C ATOM 1319 CG2 ILE A 94 -5.837 -18.338 1.373 1.00 0.00 C ATOM 1320 CD1 ILE A 94 -5.492 -15.528 -0.045 1.00 0.00 C ATOM 0 H ILE A 94 -2.261 -16.556 1.744 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.344 -17.432 3.528 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.007 -17.666 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.817 -15.788 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.174 -15.348 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.425 -18.137 0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.523 -19.382 1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.443 -18.140 2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.767 -14.474 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.691 -15.674 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.358 -16.121 -0.338 1.00 0.00 H new ATOM 1332 N GLU A 95 -4.212 -19.944 3.464 1.00 0.00 N ATOM 1333 CA GLU A 95 -3.992 -21.379 3.607 1.00 0.00 C ATOM 1334 C GLU A 95 -4.934 -22.167 2.702 1.00 0.00 C ATOM 1335 O GLU A 95 -6.158 -22.076 2.808 1.00 0.00 O ATOM 1336 CB GLU A 95 -4.189 -21.805 5.063 1.00 0.00 C ATOM 1337 CG GLU A 95 -5.470 -21.273 5.684 1.00 0.00 C ATOM 1338 CD GLU A 95 -5.313 -19.868 6.231 1.00 0.00 C ATOM 1339 OE1 GLU A 95 -4.372 -19.640 7.020 1.00 0.00 O ATOM 1340 OE2 GLU A 95 -6.130 -18.995 5.871 1.00 0.00 O ATOM 0 H GLU A 95 -5.012 -19.586 3.986 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.966 -21.595 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.194 -22.894 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.339 -21.460 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.263 -21.281 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.784 -21.939 6.488 1.00 0.00 H new ATOM 1347 N PRO A 96 -4.353 -22.960 1.790 1.00 0.00 N ATOM 1348 CA PRO A 96 -5.121 -23.779 0.848 1.00 0.00 C ATOM 1349 C PRO A 96 -5.839 -24.934 1.538 1.00 0.00 C ATOM 1350 O PRO A 96 -7.045 -25.116 1.371 1.00 0.00 O ATOM 1351 CB PRO A 96 -4.054 -24.310 -0.113 1.00 0.00 C ATOM 1352 CG PRO A 96 -2.791 -24.294 0.677 1.00 0.00 C ATOM 1353 CD PRO A 96 -2.900 -23.117 1.607 1.00 0.00 C ATOM 0 HA PRO A 96 -5.908 -23.207 0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.295 -25.317 -0.455 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.974 -23.683 -1.001 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.668 -25.222 1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.923 -24.197 0.024 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.394 -23.305 2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -2.450 -22.222 1.177 1.00 0.00 H new TER 1361 PRO A 96