USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1062 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: B 59 MET CE :methyl -128:sc= -24.3! (180deg=-23.5!) USER MOD Set 1.2: B 60 MET CE :methyl 150:sc= -6.92! (180deg=-5.69!) USER MOD Set 2.1: A 74 GLN :FLIP amide:sc= -1.47 F(o=-8.9!,f=-3) USER MOD Set 2.2: B 74 GLN :FLIP amide:sc= -1.49 F(o=-8.9!,f=-3) USER MOD Set 3.1: A 59 MET CE :methyl -129:sc= -24.3! (180deg=-23.6!) USER MOD Set 3.2: A 60 MET CE :methyl 146:sc= -7.08 (180deg=-5.73!) USER MOD Single : A 4 THR OG1 : rot -163:sc= 0.203 USER MOD Single : A 6 THR OG1 : rot -130:sc= 0.193 USER MOD Single : A 9 CYS SG : rot -64:sc= -3.94 USER MOD Single : A 12 SER OG : rot 140:sc= -2.53 USER MOD Single : A 18 GLN :FLIP amide:sc= -5.58! C(o=-6.9!,f=-5.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -130:sc= -0.0636 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.729 USER MOD Single : A 32 LYS NZ :NH3+ -127:sc= -0.956 (180deg=-3.01!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0659 USER MOD Single : A 39 MET CE :methyl -120:sc= -6.92! (180deg=-15.5!) USER MOD Single : A 40 ASN : amide:sc= 0.00726 X(o=0.0073,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00631 USER MOD Single : A 47 THR OG1 : rot -69:sc= 1.05 USER MOD Single : A 70 GLN :FLIP amide:sc= -2.42! F(o=-3.9,f=-2.4!) USER MOD Single : A 78 ASN :FLIP amide:sc= -2.02! F(o=-2.6,f=-2!) USER MOD Single : A 87 CYS SG : rot -137:sc= -0.0678 USER MOD Single : A 88 HIS : no HD1:sc= -1.59! C(o=-1.6!,f=-4.6!) USER MOD Single : A 90 SER OG : rot -120:sc= -1.89 USER MOD Single : B 4 THR OG1 : rot -162:sc= 0.201 USER MOD Single : B 6 THR OG1 : rot -131:sc= 0.197 USER MOD Single : B 9 CYS SG : rot -63:sc= -3.93 USER MOD Single : B 12 SER OG : rot 130:sc= -2.58 USER MOD Single : B 18 GLN :FLIP amide:sc= -5.48! C(o=-6.8!,f=-5.5!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 TYR OH : rot -130:sc= -0.0587 USER MOD Single : B 29 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot -159:sc= 0.661 USER MOD Single : B 32 LYS NZ :NH3+ -123:sc= -0.847 (180deg=-2.83!) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 91:sc= 0.0693 USER MOD Single : B 39 MET CE :methyl -120:sc= -7.09! (180deg=-15.4!) USER MOD Single : B 40 ASN : amide:sc= 0.00629 X(o=0.0063,f=0) USER MOD Single : B 41 THR OG1 : rot 180:sc=-0.00116 USER MOD Single : B 47 THR OG1 : rot -56:sc= 1.19 USER MOD Single : B 70 GLN :FLIP amide:sc= -2.53! F(o=-3.9,f=-2.5!) USER MOD Single : B 78 ASN :FLIP amide:sc= -2! F(o=-2.5,f=-2!) USER MOD Single : B 87 CYS SG : rot -137:sc= -0.0433 USER MOD Single : B 88 HIS : no HD1:sc= -1.57! C(o=-1.6!,f=-4.6!) USER MOD Single : B 90 SER OG : rot -120:sc= -1.86 USER MOD ----------------------------------------------------------------- ATOM 51 N THR A 4 8.197 -3.918 15.505 1.00 0.00 N ATOM 52 CA THR A 4 8.486 -2.619 14.905 1.00 0.00 C ATOM 53 C THR A 4 7.226 -1.949 14.381 1.00 0.00 C ATOM 54 O THR A 4 6.304 -2.604 13.897 1.00 0.00 O ATOM 55 CB THR A 4 9.524 -2.758 13.782 1.00 0.00 C ATOM 56 OG1 THR A 4 9.473 -1.644 12.908 1.00 0.00 O ATOM 57 CG2 THR A 4 9.356 -4.006 12.942 1.00 0.00 C ATOM 0 HA THR A 4 8.899 -1.983 15.688 1.00 0.00 H new ATOM 0 HB THR A 4 10.484 -2.819 14.296 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.932 -1.864 12.071 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.126 -4.032 12.171 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.448 -4.887 13.577 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.372 -3.999 12.472 1.00 0.00 H new ATOM 65 N GLU A 5 7.204 -0.627 14.488 1.00 0.00 N ATOM 66 CA GLU A 5 6.076 0.169 14.033 1.00 0.00 C ATOM 67 C GLU A 5 5.662 -0.237 12.622 1.00 0.00 C ATOM 68 O GLU A 5 4.487 -0.487 12.355 1.00 0.00 O ATOM 69 CB GLU A 5 6.457 1.646 14.073 1.00 0.00 C ATOM 70 CG GLU A 5 5.375 2.540 14.655 1.00 0.00 C ATOM 71 CD GLU A 5 5.925 3.558 15.635 1.00 0.00 C ATOM 72 OE1 GLU A 5 6.206 3.178 16.791 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.072 4.736 15.246 1.00 0.00 O ATOM 0 H GLU A 5 7.965 -0.080 14.891 1.00 0.00 H new ATOM 0 HA GLU A 5 5.226 -0.005 14.693 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.367 1.762 14.662 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.687 1.980 13.061 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.864 3.060 13.845 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.630 1.923 15.157 1.00 0.00 H new ATOM 80 N THR A 6 6.643 -0.320 11.730 1.00 0.00 N ATOM 81 CA THR A 6 6.391 -0.718 10.352 1.00 0.00 C ATOM 82 C THR A 6 5.796 -2.120 10.313 1.00 0.00 C ATOM 83 O THR A 6 4.914 -2.408 9.510 1.00 0.00 O ATOM 84 CB THR A 6 7.687 -0.678 9.543 1.00 0.00 C ATOM 85 OG1 THR A 6 8.516 0.384 9.977 1.00 0.00 O ATOM 86 CG2 THR A 6 7.458 -0.504 8.058 1.00 0.00 C ATOM 0 H THR A 6 7.621 -0.117 11.938 1.00 0.00 H new ATOM 0 HA THR A 6 5.681 -0.019 9.911 1.00 0.00 H new ATOM 0 HB THR A 6 8.163 -1.644 9.711 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.815 0.903 9.202 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.418 -0.484 7.542 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.861 -1.335 7.682 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.930 0.432 7.879 1.00 0.00 H new ATOM 94 N GLU A 7 6.274 -2.988 11.201 1.00 0.00 N ATOM 95 CA GLU A 7 5.778 -4.359 11.265 1.00 0.00 C ATOM 96 C GLU A 7 4.256 -4.367 11.354 1.00 0.00 C ATOM 97 O GLU A 7 3.591 -5.220 10.767 1.00 0.00 O ATOM 98 CB GLU A 7 6.382 -5.091 12.469 1.00 0.00 C ATOM 99 CG GLU A 7 7.257 -6.274 12.085 1.00 0.00 C ATOM 100 CD GLU A 7 6.471 -7.565 11.962 1.00 0.00 C ATOM 101 OE1 GLU A 7 5.258 -7.495 11.672 1.00 0.00 O ATOM 102 OE2 GLU A 7 7.067 -8.644 12.155 1.00 0.00 O ATOM 0 H GLU A 7 7.000 -2.768 11.883 1.00 0.00 H new ATOM 0 HA GLU A 7 6.079 -4.878 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.974 -4.386 13.053 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.575 -5.440 13.114 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.752 -6.063 11.137 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.040 -6.400 12.833 1.00 0.00 H new ATOM 109 N ARG A 8 3.713 -3.394 12.075 1.00 0.00 N ATOM 110 CA ARG A 8 2.270 -3.267 12.224 1.00 0.00 C ATOM 111 C ARG A 8 1.664 -2.611 10.985 1.00 0.00 C ATOM 112 O ARG A 8 0.495 -2.829 10.663 1.00 0.00 O ATOM 113 CB ARG A 8 1.935 -2.445 13.470 1.00 0.00 C ATOM 114 CG ARG A 8 0.687 -2.921 14.197 1.00 0.00 C ATOM 115 CD ARG A 8 -0.341 -1.809 14.334 1.00 0.00 C ATOM 116 NE ARG A 8 -1.642 -2.316 14.762 1.00 0.00 N ATOM 117 CZ ARG A 8 -2.477 -2.983 13.967 1.00 0.00 C ATOM 118 NH1 ARG A 8 -2.149 -3.224 12.704 1.00 0.00 N ATOM 119 NH2 ARG A 8 -3.641 -3.408 14.436 1.00 0.00 N ATOM 0 H ARG A 8 4.252 -2.681 12.566 1.00 0.00 H new ATOM 0 HA ARG A 8 1.845 -4.264 12.336 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.781 -2.481 14.157 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.802 -1.402 13.182 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.247 -3.759 13.656 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.960 -3.289 15.186 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.016 -1.072 15.054 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.449 -1.295 13.379 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.928 -2.149 15.727 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.254 -2.898 12.338 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.792 -3.735 12.099 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.898 -3.224 15.406 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.280 -3.919 13.827 1.00 0.00 H new ATOM 132 N CYS A 9 2.467 -1.800 10.298 1.00 0.00 N ATOM 133 CA CYS A 9 2.016 -1.104 9.099 1.00 0.00 C ATOM 134 C CYS A 9 1.697 -2.087 7.974 1.00 0.00 C ATOM 135 O CYS A 9 0.671 -1.965 7.305 1.00 0.00 O ATOM 136 CB CYS A 9 3.073 -0.075 8.649 1.00 0.00 C ATOM 137 SG CYS A 9 4.262 -0.662 7.412 1.00 0.00 S ATOM 0 H CYS A 9 3.436 -1.610 10.554 1.00 0.00 H new ATOM 0 HA CYS A 9 1.095 -0.573 9.340 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.557 0.796 8.246 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.625 0.260 9.527 1.00 0.00 H new ATOM 0 HG CYS A 9 4.977 -1.622 7.919 1.00 0.00 H new ATOM 143 N ILE A 10 2.583 -3.056 7.765 1.00 0.00 N ATOM 144 CA ILE A 10 2.393 -4.045 6.717 1.00 0.00 C ATOM 145 C ILE A 10 1.147 -4.885 6.963 1.00 0.00 C ATOM 146 O ILE A 10 0.259 -4.951 6.119 1.00 0.00 O ATOM 147 CB ILE A 10 3.615 -4.978 6.611 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.900 -4.165 6.457 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.452 -5.935 5.442 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.745 -4.117 7.705 1.00 0.00 C ATOM 0 H ILE A 10 3.438 -3.175 8.309 1.00 0.00 H new ATOM 0 HA ILE A 10 2.272 -3.498 5.782 1.00 0.00 H new ATOM 0 HB ILE A 10 3.683 -5.560 7.530 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.492 -4.589 5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.642 -3.147 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.323 -6.587 5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.557 -6.539 5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.359 -5.367 4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.639 -3.522 7.517 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.172 -3.665 8.515 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.035 -5.129 7.987 1.00 0.00 H new ATOM 162 N GLU A 11 1.089 -5.528 8.122 1.00 0.00 N ATOM 163 CA GLU A 11 -0.047 -6.376 8.474 1.00 0.00 C ATOM 164 C GLU A 11 -1.372 -5.637 8.320 1.00 0.00 C ATOM 165 O GLU A 11 -2.415 -6.252 8.100 1.00 0.00 O ATOM 166 CB GLU A 11 0.100 -6.896 9.904 1.00 0.00 C ATOM 167 CG GLU A 11 0.066 -8.412 9.997 1.00 0.00 C ATOM 168 CD GLU A 11 -0.852 -8.911 11.096 1.00 0.00 C ATOM 169 OE1 GLU A 11 -0.539 -8.677 12.283 1.00 0.00 O ATOM 170 OE2 GLU A 11 -1.884 -9.533 10.770 1.00 0.00 O ATOM 0 H GLU A 11 1.815 -5.480 8.836 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.053 -7.219 7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.040 -6.534 10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.700 -6.483 10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.261 -8.823 9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.075 -8.784 10.176 1.00 0.00 H new ATOM 177 N SER A 12 -1.327 -4.320 8.461 1.00 0.00 N ATOM 178 CA SER A 12 -2.529 -3.504 8.361 1.00 0.00 C ATOM 179 C SER A 12 -3.127 -3.504 6.949 1.00 0.00 C ATOM 180 O SER A 12 -4.303 -3.815 6.777 1.00 0.00 O ATOM 181 CB SER A 12 -2.214 -2.073 8.801 1.00 0.00 C ATOM 182 OG SER A 12 -3.243 -1.552 9.627 1.00 0.00 O ATOM 0 H SER A 12 -0.473 -3.794 8.645 1.00 0.00 H new ATOM 0 HA SER A 12 -3.278 -3.942 9.020 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.267 -2.056 9.341 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.092 -1.438 7.923 1.00 0.00 H new ATOM 0 HG SER A 12 -2.845 -1.033 10.357 1.00 0.00 H new ATOM 188 N LEU A 13 -2.331 -3.131 5.946 1.00 0.00 N ATOM 189 CA LEU A 13 -2.811 -3.064 4.568 1.00 0.00 C ATOM 190 C LEU A 13 -3.045 -4.439 3.935 1.00 0.00 C ATOM 191 O LEU A 13 -3.868 -4.577 3.035 1.00 0.00 O ATOM 192 CB LEU A 13 -1.841 -2.249 3.731 1.00 0.00 C ATOM 193 CG LEU A 13 -2.179 -0.763 3.652 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.553 -0.559 3.037 1.00 0.00 C ATOM 195 CD2 LEU A 13 -2.129 -0.115 5.023 1.00 0.00 C ATOM 0 H LEU A 13 -1.352 -2.871 6.063 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.786 -2.577 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.839 -2.361 4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.817 -2.659 2.721 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.430 -0.288 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.776 0.507 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.567 -0.978 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.303 -1.059 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.374 0.943 4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.849 -0.601 5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.127 -0.222 5.440 1.00 0.00 H new ATOM 207 N ILE A 14 -2.332 -5.454 4.386 1.00 0.00 N ATOM 208 CA ILE A 14 -2.507 -6.788 3.843 1.00 0.00 C ATOM 209 C ILE A 14 -3.867 -7.335 4.187 1.00 0.00 C ATOM 210 O ILE A 14 -4.463 -8.082 3.423 1.00 0.00 O ATOM 211 CB ILE A 14 -1.510 -7.770 4.442 1.00 0.00 C ATOM 212 CG1 ILE A 14 -0.105 -7.213 4.445 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.569 -9.080 3.705 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.711 -7.794 5.562 1.00 0.00 C ATOM 0 H ILE A 14 -1.630 -5.381 5.123 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.369 -6.692 2.766 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.788 -7.939 5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.376 -7.429 3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.142 -6.128 4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.852 -9.776 4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.573 -9.497 3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.325 -8.918 2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.716 -7.373 5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.242 -7.556 6.517 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.768 -8.876 5.446 1.00 0.00 H new ATOM 226 N ALA A 15 -4.305 -6.989 5.376 1.00 0.00 N ATOM 227 CA ALA A 15 -5.552 -7.471 5.919 1.00 0.00 C ATOM 228 C ALA A 15 -6.760 -6.784 5.300 1.00 0.00 C ATOM 229 O ALA A 15 -7.791 -7.419 5.075 1.00 0.00 O ATOM 230 CB ALA A 15 -5.489 -7.299 7.419 1.00 0.00 C ATOM 0 H ALA A 15 -3.800 -6.359 5.999 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.683 -8.525 5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.418 -7.654 7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.653 -7.874 7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.351 -6.245 7.659 1.00 0.00 H new ATOM 236 N VAL A 16 -6.630 -5.503 4.992 1.00 0.00 N ATOM 237 CA VAL A 16 -7.710 -4.767 4.365 1.00 0.00 C ATOM 238 C VAL A 16 -8.116 -5.454 3.070 1.00 0.00 C ATOM 239 O VAL A 16 -9.285 -5.462 2.686 1.00 0.00 O ATOM 240 CB VAL A 16 -7.273 -3.331 4.039 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.785 -2.623 5.278 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.178 -3.342 2.995 1.00 0.00 C ATOM 0 H VAL A 16 -5.788 -4.955 5.167 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.550 -4.740 5.060 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.138 -2.795 3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.481 -1.608 5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.587 -2.586 6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.934 -3.162 5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.877 -2.318 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.320 -3.898 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.547 -3.817 2.086 1.00 0.00 H new ATOM 252 N PHE A 17 -7.115 -6.006 2.392 1.00 0.00 N ATOM 253 CA PHE A 17 -7.332 -6.679 1.115 1.00 0.00 C ATOM 254 C PHE A 17 -7.864 -8.105 1.280 1.00 0.00 C ATOM 255 O PHE A 17 -8.938 -8.427 0.776 1.00 0.00 O ATOM 256 CB PHE A 17 -6.015 -6.714 0.328 1.00 0.00 C ATOM 257 CG PHE A 17 -5.956 -7.788 -0.724 1.00 0.00 C ATOM 258 CD1 PHE A 17 -6.696 -7.678 -1.890 1.00 0.00 C ATOM 259 CD2 PHE A 17 -5.162 -8.910 -0.542 1.00 0.00 C ATOM 260 CE1 PHE A 17 -6.645 -8.667 -2.855 1.00 0.00 C ATOM 261 CE2 PHE A 17 -5.109 -9.902 -1.502 1.00 0.00 C ATOM 262 CZ PHE A 17 -5.850 -9.780 -2.661 1.00 0.00 C ATOM 0 H PHE A 17 -6.144 -6.001 2.705 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.090 -6.112 0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.863 -5.745 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.191 -6.859 1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.320 -6.810 -2.047 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.578 -9.010 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.226 -8.569 -3.760 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.489 -10.772 -1.346 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.808 -10.553 -3.414 1.00 0.00 H new ATOM 272 N GLN A 18 -7.099 -8.955 1.961 1.00 0.00 N ATOM 273 CA GLN A 18 -7.488 -10.355 2.152 1.00 0.00 C ATOM 274 C GLN A 18 -8.727 -10.509 3.024 1.00 0.00 C ATOM 275 O GLN A 18 -9.480 -11.469 2.863 1.00 0.00 O ATOM 276 CB GLN A 18 -6.342 -11.174 2.747 1.00 0.00 C ATOM 277 CG GLN A 18 -5.557 -10.447 3.817 1.00 0.00 C ATOM 278 CD GLN A 18 -4.131 -10.940 3.919 1.00 0.00 C ATOM 279 OE1 GLN A 18 -3.437 -10.963 2.787 1.00 0.00 O flip ATOM 280 NE2 GLN A 18 -3.657 -11.293 4.999 1.00 0.00 N flip ATOM 0 H GLN A 18 -6.208 -8.702 2.390 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.728 -10.735 1.159 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.747 -12.093 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.662 -11.464 1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.555 -9.379 3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.053 -10.576 4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.229 -11.258 5.843 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.692 -11.621 5.050 1.00 0.00 H new ATOM 289 N LYS A 19 -8.946 -9.583 3.952 1.00 0.00 N ATOM 290 CA LYS A 19 -10.111 -9.676 4.827 1.00 0.00 C ATOM 291 C LYS A 19 -11.379 -9.869 4.002 1.00 0.00 C ATOM 292 O LYS A 19 -12.144 -10.807 4.227 1.00 0.00 O ATOM 293 CB LYS A 19 -10.234 -8.417 5.691 1.00 0.00 C ATOM 294 CG LYS A 19 -11.488 -8.387 6.551 1.00 0.00 C ATOM 295 CD LYS A 19 -11.150 -8.324 8.032 1.00 0.00 C ATOM 296 CE LYS A 19 -10.984 -6.888 8.505 1.00 0.00 C ATOM 297 NZ LYS A 19 -9.551 -6.511 8.643 1.00 0.00 N ATOM 0 H LYS A 19 -8.346 -8.775 4.117 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.982 -10.538 5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.359 -8.343 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.227 -7.540 5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.096 -7.524 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.088 -9.275 6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.939 -8.809 8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.231 -8.879 8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.470 -6.215 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.487 -6.761 9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.481 -5.525 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.093 -7.137 9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.077 -6.607 7.723 1.00 0.00 H new ATOM 311 N TYR A 20 -11.572 -8.999 3.018 1.00 0.00 N ATOM 312 CA TYR A 20 -12.718 -9.096 2.127 1.00 0.00 C ATOM 313 C TYR A 20 -12.446 -10.146 1.061 1.00 0.00 C ATOM 314 O TYR A 20 -13.321 -10.923 0.681 1.00 0.00 O ATOM 315 CB TYR A 20 -13.026 -7.741 1.491 1.00 0.00 C ATOM 316 CG TYR A 20 -14.190 -7.028 2.143 1.00 0.00 C ATOM 317 CD1 TYR A 20 -14.074 -6.495 3.421 1.00 0.00 C ATOM 318 CD2 TYR A 20 -15.405 -6.893 1.484 1.00 0.00 C ATOM 319 CE1 TYR A 20 -15.137 -5.847 4.022 1.00 0.00 C ATOM 320 CE2 TYR A 20 -16.471 -6.245 2.078 1.00 0.00 C ATOM 321 CZ TYR A 20 -16.331 -5.725 3.347 1.00 0.00 C ATOM 322 OH TYR A 20 -17.392 -5.080 3.943 1.00 0.00 O ATOM 0 H TYR A 20 -10.948 -8.218 2.818 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.593 -9.397 2.704 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.140 -7.108 1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -13.243 -7.885 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.139 -6.588 3.953 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.519 -7.301 0.491 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.032 -5.438 5.016 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -17.409 -6.146 1.551 1.00 0.00 H new ATOM 0 HH TYR A 20 -18.194 -5.639 3.876 1.00 0.00 H new ATOM 332 N ALA A 21 -11.206 -10.142 0.588 1.00 0.00 N ATOM 333 CA ALA A 21 -10.750 -11.065 -0.439 1.00 0.00 C ATOM 334 C ALA A 21 -10.956 -12.519 -0.020 1.00 0.00 C ATOM 335 O ALA A 21 -11.061 -13.407 -0.865 1.00 0.00 O ATOM 336 CB ALA A 21 -9.283 -10.792 -0.735 1.00 0.00 C ATOM 0 H ALA A 21 -10.486 -9.494 0.909 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.342 -10.907 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.933 -11.480 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.167 -9.766 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.696 -10.934 0.173 1.00 0.00 H new ATOM 342 N GLY A 22 -11.010 -12.755 1.287 1.00 0.00 N ATOM 343 CA GLY A 22 -11.201 -14.102 1.789 1.00 0.00 C ATOM 344 C GLY A 22 -10.978 -14.199 3.285 1.00 0.00 C ATOM 345 O GLY A 22 -9.874 -14.504 3.736 1.00 0.00 O ATOM 0 H GLY A 22 -10.925 -12.037 2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.212 -14.435 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.515 -14.778 1.278 1.00 0.00 H new ATOM 419 N VAL A 28 -6.227 -15.258 -2.524 1.00 0.00 N ATOM 420 CA VAL A 28 -5.356 -14.930 -3.646 1.00 0.00 C ATOM 421 C VAL A 28 -5.783 -13.621 -4.302 1.00 0.00 C ATOM 422 O VAL A 28 -4.947 -12.805 -4.687 1.00 0.00 O ATOM 423 CB VAL A 28 -5.352 -16.052 -4.704 1.00 0.00 C ATOM 424 CG1 VAL A 28 -6.736 -16.228 -5.310 1.00 0.00 C ATOM 425 CG2 VAL A 28 -4.320 -15.766 -5.785 1.00 0.00 C ATOM 0 HA VAL A 28 -4.348 -14.821 -3.247 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.079 -16.985 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.709 -17.025 -6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.446 -16.488 -4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.046 -15.298 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.333 -16.569 -6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.557 -14.821 -6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.329 -15.703 -5.335 1.00 0.00 H new ATOM 435 N THR A 29 -7.092 -13.429 -4.418 1.00 0.00 N ATOM 436 CA THR A 29 -7.642 -12.221 -5.019 1.00 0.00 C ATOM 437 C THR A 29 -8.816 -11.698 -4.200 1.00 0.00 C ATOM 438 O THR A 29 -9.153 -12.255 -3.155 1.00 0.00 O ATOM 439 CB THR A 29 -8.087 -12.491 -6.454 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.881 -13.663 -6.523 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.933 -12.658 -7.418 1.00 0.00 C ATOM 0 H THR A 29 -7.794 -14.098 -4.102 1.00 0.00 H new ATOM 0 HA THR A 29 -6.859 -11.463 -5.030 1.00 0.00 H new ATOM 0 HB THR A 29 -8.659 -11.611 -6.748 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.157 -13.817 -7.451 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.320 -12.847 -8.419 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.332 -11.749 -7.427 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.315 -13.499 -7.103 1.00 0.00 H new ATOM 449 N LEU A 30 -9.433 -10.628 -4.680 1.00 0.00 N ATOM 450 CA LEU A 30 -10.570 -10.027 -3.994 1.00 0.00 C ATOM 451 C LEU A 30 -11.740 -9.819 -4.966 1.00 0.00 C ATOM 452 O LEU A 30 -12.138 -10.751 -5.662 1.00 0.00 O ATOM 453 CB LEU A 30 -10.144 -8.703 -3.338 1.00 0.00 C ATOM 454 CG LEU A 30 -10.933 -8.289 -2.086 1.00 0.00 C ATOM 455 CD1 LEU A 30 -10.868 -6.782 -1.892 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.383 -8.755 -2.161 1.00 0.00 C ATOM 0 H LEU A 30 -9.165 -10.156 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.911 -10.703 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.089 -8.775 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.232 -7.908 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.472 -8.775 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.432 -6.505 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.829 -6.475 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.297 -6.284 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.912 -8.445 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.863 -8.312 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.412 -9.841 -2.244 1.00 0.00 H new ATOM 468 N SER A 31 -12.286 -8.603 -5.019 1.00 0.00 N ATOM 469 CA SER A 31 -13.394 -8.299 -5.912 1.00 0.00 C ATOM 470 C SER A 31 -13.661 -6.798 -5.923 1.00 0.00 C ATOM 471 O SER A 31 -13.765 -6.169 -4.870 1.00 0.00 O ATOM 472 CB SER A 31 -14.650 -9.070 -5.488 1.00 0.00 C ATOM 473 OG SER A 31 -15.794 -8.231 -5.462 1.00 0.00 O ATOM 0 H SER A 31 -11.975 -7.815 -4.451 1.00 0.00 H new ATOM 0 HA SER A 31 -13.128 -8.611 -6.922 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.820 -9.897 -6.178 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.495 -9.505 -4.501 1.00 0.00 H new ATOM 0 HG SER A 31 -16.577 -8.754 -5.189 1.00 0.00 H new ATOM 479 N LYS A 32 -13.760 -6.226 -7.118 1.00 0.00 N ATOM 480 CA LYS A 32 -14.004 -4.795 -7.263 1.00 0.00 C ATOM 481 C LYS A 32 -15.182 -4.350 -6.400 1.00 0.00 C ATOM 482 O LYS A 32 -15.141 -3.294 -5.769 1.00 0.00 O ATOM 483 CB LYS A 32 -14.273 -4.452 -8.731 1.00 0.00 C ATOM 484 CG LYS A 32 -13.049 -3.934 -9.470 1.00 0.00 C ATOM 485 CD LYS A 32 -13.111 -2.428 -9.665 1.00 0.00 C ATOM 486 CE LYS A 32 -13.095 -1.693 -8.334 1.00 0.00 C ATOM 487 NZ LYS A 32 -14.464 -1.294 -7.899 1.00 0.00 N ATOM 0 H LYS A 32 -13.675 -6.731 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.113 -4.264 -6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.645 -5.341 -9.241 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.062 -3.702 -8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.149 -4.193 -8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.974 -4.425 -10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.265 -2.103 -10.271 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.016 -2.168 -10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.645 -2.331 -7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.468 -0.805 -8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.478 -0.276 -7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.143 -1.499 -8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.727 -1.828 -7.046 1.00 0.00 H new ATOM 501 N THR A 33 -16.230 -5.166 -6.378 1.00 0.00 N ATOM 502 CA THR A 33 -17.420 -4.869 -5.598 1.00 0.00 C ATOM 503 C THR A 33 -17.166 -5.093 -4.107 1.00 0.00 C ATOM 504 O THR A 33 -17.571 -4.287 -3.276 1.00 0.00 O ATOM 505 CB THR A 33 -18.589 -5.731 -6.087 1.00 0.00 C ATOM 506 OG1 THR A 33 -19.309 -5.063 -7.107 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.575 -6.098 -5.000 1.00 0.00 C ATOM 0 H THR A 33 -16.277 -6.043 -6.896 1.00 0.00 H new ATOM 0 HA THR A 33 -17.675 -3.818 -5.735 1.00 0.00 H new ATOM 0 HB THR A 33 -18.129 -6.648 -6.455 1.00 0.00 H new ATOM 0 HG1 THR A 33 -20.050 -5.629 -7.408 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.373 -6.708 -5.423 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.063 -6.661 -4.219 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.000 -5.190 -4.573 1.00 0.00 H new ATOM 515 N GLU A 34 -16.500 -6.190 -3.767 1.00 0.00 N ATOM 516 CA GLU A 34 -16.212 -6.486 -2.368 1.00 0.00 C ATOM 517 C GLU A 34 -15.462 -5.326 -1.722 1.00 0.00 C ATOM 518 O GLU A 34 -15.585 -5.081 -0.521 1.00 0.00 O ATOM 519 CB GLU A 34 -15.407 -7.780 -2.243 1.00 0.00 C ATOM 520 CG GLU A 34 -16.191 -8.910 -1.598 1.00 0.00 C ATOM 521 CD GLU A 34 -15.364 -10.168 -1.416 1.00 0.00 C ATOM 522 OE1 GLU A 34 -14.530 -10.463 -2.296 1.00 0.00 O ATOM 523 OE2 GLU A 34 -15.551 -10.857 -0.391 1.00 0.00 O ATOM 0 H GLU A 34 -16.153 -6.882 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 34 -17.159 -6.621 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.078 -8.093 -3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.509 -7.587 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.562 -8.581 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -17.062 -9.139 -2.212 1.00 0.00 H new ATOM 530 N PHE A 35 -14.699 -4.604 -2.534 1.00 0.00 N ATOM 531 CA PHE A 35 -13.944 -3.457 -2.050 1.00 0.00 C ATOM 532 C PHE A 35 -14.881 -2.290 -1.757 1.00 0.00 C ATOM 533 O PHE A 35 -14.589 -1.439 -0.917 1.00 0.00 O ATOM 534 CB PHE A 35 -12.889 -3.041 -3.080 1.00 0.00 C ATOM 535 CG PHE A 35 -12.013 -1.902 -2.631 1.00 0.00 C ATOM 536 CD1 PHE A 35 -11.694 -1.735 -1.293 1.00 0.00 C ATOM 537 CD2 PHE A 35 -11.509 -0.999 -3.554 1.00 0.00 C ATOM 538 CE1 PHE A 35 -10.887 -0.690 -0.884 1.00 0.00 C ATOM 539 CE2 PHE A 35 -10.702 0.047 -3.149 1.00 0.00 C ATOM 540 CZ PHE A 35 -10.390 0.203 -1.814 1.00 0.00 C ATOM 0 H PHE A 35 -14.587 -4.793 -3.530 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.439 -3.740 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.260 -3.901 -3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.391 -2.758 -4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.080 -2.429 -0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.750 -1.114 -4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.645 -0.572 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -10.315 0.743 -3.878 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.759 1.020 -1.497 1.00 0.00 H new ATOM 550 N LEU A 36 -16.015 -2.262 -2.454 1.00 0.00 N ATOM 551 CA LEU A 36 -17.006 -1.208 -2.276 1.00 0.00 C ATOM 552 C LEU A 36 -17.461 -1.120 -0.839 1.00 0.00 C ATOM 553 O LEU A 36 -17.353 -0.080 -0.189 1.00 0.00 O ATOM 554 CB LEU A 36 -18.232 -1.497 -3.133 1.00 0.00 C ATOM 555 CG LEU A 36 -18.259 -0.781 -4.462 1.00 0.00 C ATOM 556 CD1 LEU A 36 -18.296 0.720 -4.229 1.00 0.00 C ATOM 557 CD2 LEU A 36 -17.057 -1.188 -5.295 1.00 0.00 C ATOM 0 H LEU A 36 -16.269 -2.962 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.537 -0.269 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.287 -2.571 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.124 -1.222 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.155 -1.061 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -18.315 1.237 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -19.189 0.978 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.410 1.024 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -17.084 -0.667 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -16.141 -0.926 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -17.081 -2.264 -5.467 1.00 0.00 H new ATOM 569 N SER A 37 -18.000 -2.226 -0.366 1.00 0.00 N ATOM 570 CA SER A 37 -18.517 -2.298 0.985 1.00 0.00 C ATOM 571 C SER A 37 -17.435 -1.971 2.010 1.00 0.00 C ATOM 572 O SER A 37 -17.720 -1.409 3.067 1.00 0.00 O ATOM 573 CB SER A 37 -19.103 -3.684 1.262 1.00 0.00 C ATOM 574 OG SER A 37 -19.556 -4.295 0.067 1.00 0.00 O ATOM 0 H SER A 37 -18.091 -3.090 -0.900 1.00 0.00 H new ATOM 0 HA SER A 37 -19.308 -1.554 1.078 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.348 -4.314 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.930 -3.598 1.966 1.00 0.00 H new ATOM 0 HG SER A 37 -19.924 -5.180 0.271 1.00 0.00 H new ATOM 580 N PHE A 38 -16.194 -2.327 1.691 1.00 0.00 N ATOM 581 CA PHE A 38 -15.073 -2.069 2.589 1.00 0.00 C ATOM 582 C PHE A 38 -14.957 -0.581 2.899 1.00 0.00 C ATOM 583 O PHE A 38 -14.652 -0.192 4.028 1.00 0.00 O ATOM 584 CB PHE A 38 -13.768 -2.578 1.975 1.00 0.00 C ATOM 585 CG PHE A 38 -12.604 -2.538 2.923 1.00 0.00 C ATOM 586 CD1 PHE A 38 -12.484 -3.480 3.932 1.00 0.00 C ATOM 587 CD2 PHE A 38 -11.629 -1.561 2.803 1.00 0.00 C ATOM 588 CE1 PHE A 38 -11.412 -3.448 4.805 1.00 0.00 C ATOM 589 CE2 PHE A 38 -10.557 -1.524 3.672 1.00 0.00 C ATOM 590 CZ PHE A 38 -10.447 -2.469 4.674 1.00 0.00 C ATOM 0 H PHE A 38 -15.940 -2.793 0.820 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.258 -2.603 3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.912 -3.603 1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -13.531 -1.978 1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -13.236 -4.248 4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.709 -0.820 2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.330 -4.187 5.588 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.804 -0.756 3.569 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.608 -2.442 5.353 1.00 0.00 H new ATOM 600 N MET A 39 -15.210 0.250 1.894 1.00 0.00 N ATOM 601 CA MET A 39 -15.144 1.695 2.065 1.00 0.00 C ATOM 602 C MET A 39 -16.356 2.192 2.842 1.00 0.00 C ATOM 603 O MET A 39 -16.264 3.123 3.636 1.00 0.00 O ATOM 604 CB MET A 39 -15.067 2.392 0.706 1.00 0.00 C ATOM 605 CG MET A 39 -13.953 1.864 -0.186 1.00 0.00 C ATOM 606 SD MET A 39 -12.858 3.167 -0.783 1.00 0.00 S ATOM 607 CE MET A 39 -11.384 2.837 0.180 1.00 0.00 C ATOM 0 H MET A 39 -15.462 -0.053 0.953 1.00 0.00 H new ATOM 0 HA MET A 39 -14.243 1.934 2.630 1.00 0.00 H new ATOM 0 HB2 MET A 39 -16.021 2.273 0.191 1.00 0.00 H new ATOM 0 HB3 MET A 39 -14.920 3.461 0.863 1.00 0.00 H new ATOM 0 HG2 MET A 39 -13.368 1.129 0.368 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.391 1.345 -1.039 1.00 0.00 H new ATOM 0 HE1 MET A 39 -11.145 3.708 0.789 1.00 0.00 H new ATOM 0 HE2 MET A 39 -11.557 1.978 0.828 1.00 0.00 H new ATOM 0 HE3 MET A 39 -10.552 2.624 -0.491 1.00 0.00 H new ATOM 617 N ASN A 40 -17.491 1.556 2.606 1.00 0.00 N ATOM 618 CA ASN A 40 -18.727 1.919 3.281 1.00 0.00 C ATOM 619 C ASN A 40 -18.718 1.472 4.743 1.00 0.00 C ATOM 620 O ASN A 40 -19.513 1.957 5.549 1.00 0.00 O ATOM 621 CB ASN A 40 -19.924 1.302 2.554 1.00 0.00 C ATOM 622 CG ASN A 40 -20.253 2.026 1.262 1.00 0.00 C ATOM 623 OD1 ASN A 40 -20.719 3.166 1.279 1.00 0.00 O ATOM 624 ND2 ASN A 40 -20.013 1.367 0.134 1.00 0.00 N ATOM 0 H ASN A 40 -17.583 0.782 1.949 1.00 0.00 H new ATOM 0 HA ASN A 40 -18.812 3.006 3.261 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.713 0.255 2.337 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.794 1.322 3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -20.215 1.804 -0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.626 0.424 0.167 1.00 0.00 H new ATOM 631 N THR A 41 -17.844 0.522 5.077 1.00 0.00 N ATOM 632 CA THR A 41 -17.782 -0.004 6.441 1.00 0.00 C ATOM 633 C THR A 41 -16.547 0.449 7.221 1.00 0.00 C ATOM 634 O THR A 41 -16.649 0.762 8.407 1.00 0.00 O ATOM 635 CB THR A 41 -17.817 -1.535 6.422 1.00 0.00 C ATOM 636 OG1 THR A 41 -17.610 -2.054 7.722 1.00 0.00 O ATOM 637 CG2 THR A 41 -16.778 -2.157 5.512 1.00 0.00 C ATOM 0 H THR A 41 -17.176 0.105 4.429 1.00 0.00 H new ATOM 0 HA THR A 41 -18.655 0.401 6.952 1.00 0.00 H new ATOM 0 HB THR A 41 -18.805 -1.792 6.040 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.637 -3.033 7.691 1.00 0.00 H new ATOM 0 HG21 THR A 41 -16.864 -3.243 5.551 1.00 0.00 H new ATOM 0 HG22 THR A 41 -16.939 -1.816 4.489 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.782 -1.860 5.840 1.00 0.00 H new ATOM 645 N GLU A 42 -15.376 0.430 6.590 1.00 0.00 N ATOM 646 CA GLU A 42 -14.147 0.787 7.301 1.00 0.00 C ATOM 647 C GLU A 42 -13.319 1.859 6.588 1.00 0.00 C ATOM 648 O GLU A 42 -12.465 2.493 7.205 1.00 0.00 O ATOM 649 CB GLU A 42 -13.300 -0.471 7.510 1.00 0.00 C ATOM 650 CG GLU A 42 -14.119 -1.723 7.811 1.00 0.00 C ATOM 651 CD GLU A 42 -14.211 -2.015 9.296 1.00 0.00 C ATOM 652 OE1 GLU A 42 -13.151 -2.181 9.935 1.00 0.00 O ATOM 653 OE2 GLU A 42 -15.342 -2.077 9.820 1.00 0.00 O ATOM 0 H GLU A 42 -15.250 0.178 5.610 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.446 1.216 8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.701 -0.647 6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.605 -0.297 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.123 -1.602 7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.671 -2.577 7.303 1.00 0.00 H new ATOM 660 N LEU A 43 -13.564 2.065 5.301 1.00 0.00 N ATOM 661 CA LEU A 43 -12.823 3.066 4.543 1.00 0.00 C ATOM 662 C LEU A 43 -13.776 4.107 3.977 1.00 0.00 C ATOM 663 O LEU A 43 -13.737 4.431 2.789 1.00 0.00 O ATOM 664 CB LEU A 43 -12.012 2.406 3.424 1.00 0.00 C ATOM 665 CG LEU A 43 -10.566 2.066 3.788 1.00 0.00 C ATOM 666 CD1 LEU A 43 -9.827 1.508 2.581 1.00 0.00 C ATOM 667 CD2 LEU A 43 -9.852 3.293 4.332 1.00 0.00 C ATOM 0 H LEU A 43 -14.265 1.556 4.762 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.125 3.565 5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.519 1.490 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.007 3.070 2.559 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.577 1.302 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.800 1.272 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.326 0.603 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.825 2.249 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.824 3.033 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.852 4.079 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.368 3.648 5.224 1.00 0.00 H new ATOM 679 N ALA A 44 -14.635 4.624 4.845 1.00 0.00 N ATOM 680 CA ALA A 44 -15.612 5.628 4.457 1.00 0.00 C ATOM 681 C ALA A 44 -14.992 7.018 4.456 1.00 0.00 C ATOM 682 O ALA A 44 -15.398 7.888 3.687 1.00 0.00 O ATOM 683 CB ALA A 44 -16.811 5.569 5.389 1.00 0.00 C ATOM 0 H ALA A 44 -14.673 4.361 5.830 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.947 5.416 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.539 6.324 5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.268 4.581 5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.486 5.760 6.412 1.00 0.00 H new ATOM 689 N ALA A 45 -13.994 7.218 5.314 1.00 0.00 N ATOM 690 CA ALA A 45 -13.309 8.502 5.397 1.00 0.00 C ATOM 691 C ALA A 45 -12.768 8.911 4.030 1.00 0.00 C ATOM 692 O ALA A 45 -12.579 10.096 3.754 1.00 0.00 O ATOM 693 CB ALA A 45 -12.182 8.435 6.418 1.00 0.00 C ATOM 0 H ALA A 45 -13.644 6.509 5.959 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.026 9.256 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.679 9.401 6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.592 8.187 7.397 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.466 7.669 6.120 1.00 0.00 H new ATOM 699 N PHE A 46 -12.532 7.919 3.177 1.00 0.00 N ATOM 700 CA PHE A 46 -12.024 8.164 1.833 1.00 0.00 C ATOM 701 C PHE A 46 -13.167 8.214 0.821 1.00 0.00 C ATOM 702 O PHE A 46 -12.957 8.035 -0.377 1.00 0.00 O ATOM 703 CB PHE A 46 -11.025 7.073 1.441 1.00 0.00 C ATOM 704 CG PHE A 46 -9.661 7.275 2.035 1.00 0.00 C ATOM 705 CD1 PHE A 46 -8.710 8.034 1.375 1.00 0.00 C ATOM 706 CD2 PHE A 46 -9.331 6.708 3.256 1.00 0.00 C ATOM 707 CE1 PHE A 46 -7.454 8.225 1.920 1.00 0.00 C ATOM 708 CE2 PHE A 46 -8.077 6.893 3.806 1.00 0.00 C ATOM 709 CZ PHE A 46 -7.137 7.653 3.137 1.00 0.00 C ATOM 0 H PHE A 46 -12.685 6.934 3.395 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.518 9.130 1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.412 6.105 1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.940 7.042 0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -8.952 8.482 0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.063 6.114 3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.722 8.820 1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.832 6.444 4.757 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.156 7.800 3.565 1.00 0.00 H new ATOM 719 N THR A 47 -14.380 8.458 1.315 1.00 0.00 N ATOM 720 CA THR A 47 -15.559 8.531 0.459 1.00 0.00 C ATOM 721 C THR A 47 -16.815 8.783 1.289 1.00 0.00 C ATOM 722 O THR A 47 -17.876 8.222 1.016 1.00 0.00 O ATOM 723 CB THR A 47 -15.712 7.236 -0.344 1.00 0.00 C ATOM 724 OG1 THR A 47 -16.949 7.215 -1.034 1.00 0.00 O ATOM 725 CG2 THR A 47 -15.641 5.989 0.512 1.00 0.00 C ATOM 0 H THR A 47 -14.570 8.608 2.306 1.00 0.00 H new ATOM 0 HA THR A 47 -15.428 9.364 -0.232 1.00 0.00 H new ATOM 0 HB THR A 47 -14.873 7.228 -1.040 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.682 7.131 -0.389 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.756 5.108 -0.119 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.676 5.949 1.018 1.00 0.00 H new ATOM 0 HG23 THR A 47 -16.439 6.011 1.254 1.00 0.00 H new ATOM 841 N VAL A 55 -11.392 10.472 -6.903 1.00 0.00 N ATOM 842 CA VAL A 55 -10.392 9.814 -6.075 1.00 0.00 C ATOM 843 C VAL A 55 -10.596 8.301 -6.052 1.00 0.00 C ATOM 844 O VAL A 55 -9.742 7.545 -6.511 1.00 0.00 O ATOM 845 CB VAL A 55 -10.430 10.348 -4.629 1.00 0.00 C ATOM 846 CG1 VAL A 55 -9.348 9.695 -3.780 1.00 0.00 C ATOM 847 CG2 VAL A 55 -10.288 11.863 -4.617 1.00 0.00 C ATOM 0 HA VAL A 55 -9.420 10.035 -6.516 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.396 10.091 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.395 10.088 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.503 8.616 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.369 9.912 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.317 12.223 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.338 12.143 -5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.107 12.310 -5.181 1.00 0.00 H new ATOM 857 N LEU A 56 -11.728 7.866 -5.507 1.00 0.00 N ATOM 858 CA LEU A 56 -12.037 6.449 -5.414 1.00 0.00 C ATOM 859 C LEU A 56 -12.485 5.871 -6.756 1.00 0.00 C ATOM 860 O LEU A 56 -11.969 4.854 -7.212 1.00 0.00 O ATOM 861 CB LEU A 56 -13.142 6.243 -4.375 1.00 0.00 C ATOM 862 CG LEU A 56 -14.020 5.017 -4.608 1.00 0.00 C ATOM 863 CD1 LEU A 56 -14.435 4.395 -3.287 1.00 0.00 C ATOM 864 CD2 LEU A 56 -15.240 5.375 -5.445 1.00 0.00 C ATOM 0 H LEU A 56 -12.447 8.479 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.129 5.926 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.684 6.162 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.777 7.129 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.436 4.282 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -15.060 3.523 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.547 4.092 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -14.996 5.124 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.850 4.485 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -15.827 6.133 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -14.917 5.764 -6.411 1.00 0.00 H new ATOM 876 N ASP A 57 -13.473 6.516 -7.358 1.00 0.00 N ATOM 877 CA ASP A 57 -14.036 6.060 -8.626 1.00 0.00 C ATOM 878 C ASP A 57 -12.971 5.910 -9.709 1.00 0.00 C ATOM 879 O ASP A 57 -12.795 4.827 -10.266 1.00 0.00 O ATOM 880 CB ASP A 57 -15.120 7.031 -9.095 1.00 0.00 C ATOM 881 CG ASP A 57 -16.230 6.336 -9.860 1.00 0.00 C ATOM 882 OD1 ASP A 57 -16.178 5.093 -9.989 1.00 0.00 O ATOM 883 OD2 ASP A 57 -17.153 7.034 -10.332 1.00 0.00 O ATOM 0 H ASP A 57 -13.906 7.362 -6.988 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.470 5.075 -8.454 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.544 7.543 -8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.670 7.795 -9.729 1.00 0.00 H new ATOM 888 N ARG A 58 -12.278 6.997 -10.018 1.00 0.00 N ATOM 889 CA ARG A 58 -11.251 6.968 -11.051 1.00 0.00 C ATOM 890 C ARG A 58 -10.159 5.953 -10.733 1.00 0.00 C ATOM 891 O ARG A 58 -9.617 5.318 -11.635 1.00 0.00 O ATOM 892 CB ARG A 58 -10.631 8.354 -11.228 1.00 0.00 C ATOM 893 CG ARG A 58 -11.645 9.436 -11.556 1.00 0.00 C ATOM 894 CD ARG A 58 -11.895 9.532 -13.052 1.00 0.00 C ATOM 895 NE ARG A 58 -13.281 9.878 -13.355 1.00 0.00 N ATOM 896 CZ ARG A 58 -13.858 9.668 -14.536 1.00 0.00 C ATOM 897 NH1 ARG A 58 -13.171 9.116 -15.530 1.00 0.00 N ATOM 898 NH2 ARG A 58 -15.124 10.012 -14.726 1.00 0.00 N ATOM 0 H ARG A 58 -12.407 7.905 -9.572 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.734 6.666 -11.980 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.104 8.627 -10.314 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.887 8.311 -12.024 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.583 9.225 -11.042 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.287 10.396 -11.184 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.232 10.282 -13.483 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.648 8.580 -13.522 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.840 10.306 -12.617 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.196 8.851 -15.390 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.618 8.957 -16.433 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.656 10.438 -13.967 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.566 9.851 -15.631 1.00 0.00 H new ATOM 911 N MET A 59 -9.830 5.803 -9.454 1.00 0.00 N ATOM 912 CA MET A 59 -8.801 4.873 -9.046 1.00 0.00 C ATOM 913 C MET A 59 -9.299 3.432 -9.101 1.00 0.00 C ATOM 914 O MET A 59 -8.592 2.546 -9.581 1.00 0.00 O ATOM 915 CB MET A 59 -8.305 5.237 -7.649 1.00 0.00 C ATOM 916 CG MET A 59 -6.911 4.728 -7.370 1.00 0.00 C ATOM 917 SD MET A 59 -6.878 2.945 -7.196 1.00 0.00 S ATOM 918 CE MET A 59 -8.329 2.724 -6.171 1.00 0.00 C ATOM 0 H MET A 59 -10.265 6.317 -8.688 1.00 0.00 H new ATOM 0 HA MET A 59 -7.967 4.946 -9.744 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.320 6.321 -7.534 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.991 4.828 -6.907 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.246 5.027 -8.180 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.531 5.190 -6.459 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.073 2.112 -5.306 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.688 3.697 -5.835 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.110 2.228 -6.748 1.00 0.00 H new ATOM 928 N MET A 60 -10.514 3.198 -8.617 1.00 0.00 N ATOM 929 CA MET A 60 -11.083 1.855 -8.629 1.00 0.00 C ATOM 930 C MET A 60 -11.334 1.395 -10.063 1.00 0.00 C ATOM 931 O MET A 60 -11.140 0.225 -10.394 1.00 0.00 O ATOM 932 CB MET A 60 -12.384 1.812 -7.819 1.00 0.00 C ATOM 933 CG MET A 60 -12.312 0.907 -6.596 1.00 0.00 C ATOM 934 SD MET A 60 -12.551 1.796 -5.045 1.00 0.00 S ATOM 935 CE MET A 60 -11.218 2.988 -5.126 1.00 0.00 C ATOM 0 H MET A 60 -11.119 3.914 -8.215 1.00 0.00 H new ATOM 0 HA MET A 60 -10.367 1.175 -8.166 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.636 2.823 -7.498 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.193 1.472 -8.465 1.00 0.00 H new ATOM 0 HG2 MET A 60 -13.070 0.128 -6.682 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.343 0.408 -6.577 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.533 3.919 -4.655 1.00 0.00 H new ATOM 0 HE2 MET A 60 -10.346 2.595 -4.604 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.962 3.177 -6.168 1.00 0.00 H new ATOM 1083 N GLN A 70 -9.722 -11.187 -11.481 1.00 0.00 N ATOM 1084 CA GLN A 70 -10.175 -10.748 -10.166 1.00 0.00 C ATOM 1085 C GLN A 70 -9.298 -9.617 -9.639 1.00 0.00 C ATOM 1086 O GLN A 70 -8.458 -9.084 -10.363 1.00 0.00 O ATOM 1087 CB GLN A 70 -10.165 -11.923 -9.185 1.00 0.00 C ATOM 1088 CG GLN A 70 -11.493 -12.656 -9.103 1.00 0.00 C ATOM 1089 CD GLN A 70 -12.379 -12.134 -7.988 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -12.846 -10.899 -8.132 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -12.639 -12.832 -7.009 1.00 0.00 N flip ATOM 0 HA GLN A 70 -11.194 -10.374 -10.263 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.388 -12.627 -9.482 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.900 -11.556 -8.194 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.017 -12.559 -10.054 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.308 -13.719 -8.948 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.258 -13.776 -6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.235 -12.467 -6.266 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.494 -9.258 -8.373 1.00 0.00 N ATOM 1101 CA LEU A 71 -8.717 -8.200 -7.751 1.00 0.00 C ATOM 1102 C LEU A 71 -7.244 -8.628 -7.666 1.00 0.00 C ATOM 1103 O LEU A 71 -6.725 -9.208 -8.618 1.00 0.00 O ATOM 1104 CB LEU A 71 -9.325 -7.869 -6.377 1.00 0.00 C ATOM 1105 CG LEU A 71 -10.114 -6.554 -6.302 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -9.176 -5.380 -6.079 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -10.944 -6.344 -7.563 1.00 0.00 C ATOM 0 H LEU A 71 -10.187 -9.688 -7.760 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.750 -7.289 -8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.985 -8.686 -6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.520 -7.832 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.796 -6.617 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.754 -4.457 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.634 -5.520 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.467 -5.319 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.493 -5.406 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.285 -6.308 -8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.648 -7.168 -7.677 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.569 -8.363 -6.546 1.00 0.00 N ATOM 1120 CA ASP A 72 -5.160 -8.751 -6.400 1.00 0.00 C ATOM 1121 C ASP A 72 -4.548 -8.169 -5.126 1.00 0.00 C ATOM 1122 O ASP A 72 -5.078 -7.224 -4.540 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.341 -8.314 -7.626 1.00 0.00 C ATOM 1124 CG ASP A 72 -2.859 -8.601 -7.477 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -2.453 -9.762 -7.694 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -2.103 -7.664 -7.142 1.00 0.00 O ATOM 0 H ASP A 72 -6.966 -7.888 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.129 -9.838 -6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.718 -8.827 -8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.485 -7.246 -7.791 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.433 -8.757 -4.702 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.733 -8.333 -3.492 1.00 0.00 C ATOM 1133 C PHE A 73 -2.441 -6.831 -3.476 1.00 0.00 C ATOM 1134 O PHE A 73 -2.888 -6.121 -2.571 1.00 0.00 O ATOM 1135 CB PHE A 73 -1.433 -9.122 -3.325 1.00 0.00 C ATOM 1136 CG PHE A 73 -0.484 -8.989 -4.483 1.00 0.00 C ATOM 1137 CD1 PHE A 73 -0.655 -9.747 -5.631 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.580 -8.104 -4.420 1.00 0.00 C ATOM 1139 CE1 PHE A 73 0.217 -9.623 -6.696 1.00 0.00 C ATOM 1140 CE2 PHE A 73 1.455 -7.976 -5.484 1.00 0.00 C ATOM 1141 CZ PHE A 73 1.273 -8.736 -6.622 1.00 0.00 C ATOM 0 H PHE A 73 -2.990 -9.538 -5.185 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.397 -8.541 -2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.931 -8.788 -2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.675 -10.176 -3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.479 -10.442 -5.694 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.728 -7.508 -3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.073 -10.219 -7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.280 -7.282 -5.424 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.955 -8.637 -7.453 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.689 -6.336 -4.459 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.369 -4.917 -4.487 1.00 0.00 C ATOM 1153 C GLN A 74 -2.521 -4.106 -5.035 1.00 0.00 C ATOM 1154 O GLN A 74 -2.632 -2.923 -4.740 1.00 0.00 O ATOM 1155 CB GLN A 74 -0.099 -4.618 -5.281 1.00 0.00 C ATOM 1156 CG GLN A 74 0.692 -3.452 -4.698 1.00 0.00 C ATOM 1157 CD GLN A 74 0.628 -2.194 -5.552 1.00 0.00 C ATOM 1158 OE1 GLN A 74 0.000 -1.132 -5.034 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 1.139 -2.173 -6.672 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.300 -6.884 -5.227 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.189 -4.626 -3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.531 -5.507 -5.301 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.364 -4.393 -6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.312 -3.226 -3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.734 -3.751 -4.581 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.610 -3.003 -7.033 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.092 -1.326 -7.238 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.399 -4.737 -5.814 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.551 -4.024 -6.349 1.00 0.00 C ATOM 1170 C GLU A 75 -5.172 -3.210 -5.237 1.00 0.00 C ATOM 1171 O GLU A 75 -5.501 -2.051 -5.411 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.584 -4.989 -6.929 1.00 0.00 C ATOM 1173 CG GLU A 75 -5.910 -4.720 -8.389 1.00 0.00 C ATOM 1174 CD GLU A 75 -7.031 -5.598 -8.910 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -8.209 -5.222 -8.733 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -6.730 -6.658 -9.496 1.00 0.00 O ATOM 0 H GLU A 75 -3.336 -5.719 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.220 -3.373 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.213 -6.009 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.500 -4.924 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.189 -3.673 -8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.017 -4.882 -8.992 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.294 -3.820 -4.074 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.848 -3.128 -2.932 1.00 0.00 C ATOM 1185 C PHE A 76 -4.867 -2.083 -2.421 1.00 0.00 C ATOM 1186 O PHE A 76 -5.208 -0.909 -2.306 1.00 0.00 O ATOM 1187 CB PHE A 76 -6.178 -4.117 -1.822 1.00 0.00 C ATOM 1188 CG PHE A 76 -7.398 -3.750 -1.029 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -7.350 -2.729 -0.095 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -8.592 -4.426 -1.220 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -8.473 -2.389 0.637 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -9.716 -4.091 -0.492 1.00 0.00 C ATOM 1193 CZ PHE A 76 -9.657 -3.072 0.437 1.00 0.00 C ATOM 0 H PHE A 76 -5.019 -4.786 -3.898 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.766 -2.629 -3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.323 -5.105 -2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.325 -4.190 -1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.426 -2.193 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.644 -5.224 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.424 -1.591 1.363 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.641 -4.626 -0.649 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.536 -2.809 1.007 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.638 -2.508 -2.127 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.620 -1.582 -1.648 1.00 0.00 C ATOM 1205 C LEU A 77 -2.531 -0.385 -2.586 1.00 0.00 C ATOM 1206 O LEU A 77 -2.389 0.757 -2.150 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.268 -2.285 -1.536 1.00 0.00 C ATOM 1208 CG LEU A 77 -0.963 -2.854 -0.151 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.101 -3.938 -0.232 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.532 -1.740 0.785 1.00 0.00 C ATOM 0 H LEU A 77 -3.329 -3.476 -2.212 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.899 -1.229 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.233 -3.096 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.482 -1.580 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.870 -3.310 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.301 -4.327 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.251 -4.746 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.017 -3.518 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.317 -2.155 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.363 -1.259 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.332 -1.005 0.868 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.658 -0.661 -3.878 1.00 0.00 N ATOM 1223 CA ASN A 78 -2.638 0.378 -4.896 1.00 0.00 C ATOM 1224 C ASN A 78 -3.976 1.098 -4.894 1.00 0.00 C ATOM 1225 O ASN A 78 -4.047 2.309 -5.104 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.352 -0.225 -6.284 1.00 0.00 C ATOM 1227 CG ASN A 78 -3.298 0.270 -7.367 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -3.917 -0.661 -8.083 1.00 0.00 O flip ATOM 1229 ND2 ASN A 78 -3.466 1.475 -7.556 1.00 0.00 N flip ATOM 0 H ASN A 78 -2.777 -1.605 -4.246 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.842 1.088 -4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.328 0.013 -6.571 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.421 -1.311 -6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.969 2.156 -6.981 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.102 1.793 -8.287 1.00 0.00 H new ATOM 1236 N LEU A 79 -5.042 0.333 -4.663 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.376 0.895 -4.645 1.00 0.00 C ATOM 1238 C LEU A 79 -6.523 1.864 -3.487 1.00 0.00 C ATOM 1239 O LEU A 79 -6.813 3.035 -3.694 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.436 -0.201 -4.575 1.00 0.00 C ATOM 1241 CG LEU A 79 -7.772 -0.874 -5.918 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -9.114 -0.429 -6.439 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -6.706 -0.607 -6.967 1.00 0.00 C ATOM 0 H LEU A 79 -5.001 -0.671 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.528 1.441 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.098 -0.967 -3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.350 0.225 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.807 -1.946 -5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.318 -0.924 -7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.889 -0.691 -5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.107 0.651 -6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.982 -1.100 -7.899 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.622 0.467 -7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.749 -0.996 -6.620 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.284 1.375 -2.274 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.363 2.211 -1.087 1.00 0.00 C ATOM 1257 C ILE A 80 -5.161 3.142 -1.015 1.00 0.00 C ATOM 1258 O ILE A 80 -5.304 4.332 -0.731 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.452 1.382 0.208 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -6.871 2.277 1.374 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -5.126 0.714 0.508 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -5.708 2.960 2.064 1.00 0.00 C ATOM 0 H ILE A 80 -6.034 0.403 -2.090 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.279 2.795 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.203 0.604 0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.562 3.036 1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.414 1.677 2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.211 0.134 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.857 0.053 -0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.355 1.475 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.081 3.578 2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.027 2.207 2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.177 3.587 1.348 1.00 0.00 H new ATOM 1274 N GLY A 81 -3.973 2.601 -1.292 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.777 3.418 -1.265 1.00 0.00 C ATOM 1276 C GLY A 81 -2.937 4.626 -2.157 1.00 0.00 C ATOM 1277 O GLY A 81 -2.727 5.758 -1.725 1.00 0.00 O ATOM 0 H GLY A 81 -3.823 1.621 -1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.572 3.738 -0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.920 2.829 -1.592 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.348 4.380 -3.400 1.00 0.00 N ATOM 1282 CA GLY A 82 -3.573 5.476 -4.331 1.00 0.00 C ATOM 1283 C GLY A 82 -4.508 6.529 -3.752 1.00 0.00 C ATOM 1284 O GLY A 82 -4.264 7.727 -3.898 1.00 0.00 O ATOM 0 H GLY A 82 -3.528 3.450 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.619 5.938 -4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.995 5.085 -5.257 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.570 6.086 -3.077 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.516 7.018 -2.459 1.00 0.00 C ATOM 1290 C LEU A 83 -5.806 7.849 -1.411 1.00 0.00 C ATOM 1291 O LEU A 83 -6.007 9.059 -1.320 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.686 6.279 -1.815 1.00 0.00 C ATOM 1293 CG LEU A 83 -8.134 5.028 -2.554 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.421 4.490 -1.969 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.300 5.317 -4.035 1.00 0.00 C ATOM 0 H LEU A 83 -5.796 5.100 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.910 7.665 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.408 6.003 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.532 6.962 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.363 4.267 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.722 3.595 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.267 4.241 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.202 5.245 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.621 4.411 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.049 6.097 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.349 5.651 -4.449 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.956 7.194 -0.628 1.00 0.00 N ATOM 1308 CA ALA A 84 -4.200 7.893 0.407 1.00 0.00 C ATOM 1309 C ALA A 84 -3.437 9.058 -0.198 1.00 0.00 C ATOM 1310 O ALA A 84 -3.228 10.089 0.442 1.00 0.00 O ATOM 1311 CB ALA A 84 -3.206 6.953 1.063 1.00 0.00 C ATOM 0 H ALA A 84 -4.774 6.192 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.906 8.259 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.651 7.490 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.740 6.118 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.512 6.575 0.312 1.00 0.00 H new ATOM 1317 N VAL A 85 -3.023 8.874 -1.440 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.274 9.890 -2.160 1.00 0.00 C ATOM 1319 C VAL A 85 -3.198 10.892 -2.835 1.00 0.00 C ATOM 1320 O VAL A 85 -2.778 11.986 -3.211 1.00 0.00 O ATOM 1321 CB VAL A 85 -1.303 9.285 -3.205 1.00 0.00 C ATOM 1322 CG1 VAL A 85 0.107 9.753 -2.910 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -1.344 7.760 -3.223 1.00 0.00 C ATOM 0 H VAL A 85 -3.195 8.023 -1.975 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.677 10.409 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.621 9.629 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.792 9.329 -3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.148 10.841 -2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.397 9.427 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.646 7.386 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.063 7.377 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.352 7.426 -3.468 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.453 10.510 -2.985 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.443 11.366 -3.610 1.00 0.00 C ATOM 1335 C ALA A 86 -6.498 11.812 -2.604 1.00 0.00 C ATOM 1336 O ALA A 86 -7.559 12.313 -2.979 1.00 0.00 O ATOM 1337 CB ALA A 86 -6.078 10.618 -4.759 1.00 0.00 C ATOM 0 H ALA A 86 -4.812 9.605 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.955 12.266 -3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.825 11.252 -5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.312 10.349 -5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.556 9.713 -4.384 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.200 11.622 -1.322 1.00 0.00 N ATOM 1344 CA CYS A 87 -7.116 11.999 -0.256 1.00 0.00 C ATOM 1345 C CYS A 87 -6.370 12.191 1.061 1.00 0.00 C ATOM 1346 O CYS A 87 -6.637 13.137 1.802 1.00 0.00 O ATOM 1347 CB CYS A 87 -8.202 10.935 -0.091 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.423 11.316 1.188 1.00 0.00 S ATOM 0 H CYS A 87 -5.327 11.207 -0.998 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.582 12.946 -0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.717 10.807 -1.043 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.729 9.982 0.146 1.00 0.00 H new ATOM 0 HG CYS A 87 -9.666 10.248 1.888 1.00 0.00 H new ATOM 1354 N HIS A 88 -5.432 11.290 1.353 1.00 0.00 N ATOM 1355 CA HIS A 88 -4.656 11.375 2.585 1.00 0.00 C ATOM 1356 C HIS A 88 -3.389 12.197 2.376 1.00 0.00 C ATOM 1357 O HIS A 88 -2.964 12.426 1.243 1.00 0.00 O ATOM 1358 CB HIS A 88 -4.298 9.976 3.087 1.00 0.00 C ATOM 1359 CG HIS A 88 -4.126 9.902 4.573 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -2.957 10.252 5.214 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -4.986 9.516 5.545 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -3.105 10.082 6.517 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -4.327 9.638 6.743 1.00 0.00 N ATOM 0 H HIS A 88 -5.194 10.498 0.756 1.00 0.00 H new ATOM 0 HA HIS A 88 -5.269 11.874 3.336 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.079 9.279 2.784 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.376 9.650 2.606 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -6.001 9.176 5.404 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -2.353 10.274 7.269 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.718 9.421 7.659 1.00 0.00 H new ATOM 1372 N GLU A 89 -2.788 12.640 3.477 1.00 0.00 N ATOM 1373 CA GLU A 89 -1.569 13.439 3.415 1.00 0.00 C ATOM 1374 C GLU A 89 -0.451 12.680 2.708 1.00 0.00 C ATOM 1375 O GLU A 89 0.050 11.677 3.215 1.00 0.00 O ATOM 1376 CB GLU A 89 -1.122 13.834 4.824 1.00 0.00 C ATOM 1377 CG GLU A 89 -1.681 15.170 5.288 1.00 0.00 C ATOM 1378 CD GLU A 89 -3.192 15.239 5.181 1.00 0.00 C ATOM 1379 OE1 GLU A 89 -3.706 15.269 4.043 1.00 0.00 O ATOM 1380 OE2 GLU A 89 -3.861 15.262 6.235 1.00 0.00 O ATOM 0 H GLU A 89 -3.126 12.459 4.422 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.786 14.341 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.430 13.058 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.033 13.876 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.385 15.344 6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.241 15.970 4.692 1.00 0.00 H new ATOM 1387 N SER A 90 -0.065 13.167 1.533 1.00 0.00 N ATOM 1388 CA SER A 90 0.995 12.538 0.752 1.00 0.00 C ATOM 1389 C SER A 90 1.238 13.307 -0.544 1.00 0.00 C ATOM 1390 O SER A 90 2.365 13.704 -0.839 1.00 0.00 O ATOM 1391 CB SER A 90 0.637 11.083 0.442 1.00 0.00 C ATOM 1392 OG SER A 90 -0.759 10.867 0.553 1.00 0.00 O ATOM 0 H SER A 90 -0.471 13.997 1.100 1.00 0.00 H new ATOM 0 HA SER A 90 1.911 12.556 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.968 10.830 -0.565 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.166 10.421 1.127 1.00 0.00 H new ATOM 0 HG SER A 90 -0.931 10.186 1.236 1.00 0.00 H new ATOM 1398 N PHE A 91 0.173 13.512 -1.312 1.00 0.00 N ATOM 1399 CA PHE A 91 0.269 14.236 -2.575 1.00 0.00 C ATOM 1400 C PHE A 91 -0.750 15.370 -2.625 1.00 0.00 C ATOM 1401 O PHE A 91 -0.427 16.493 -3.012 1.00 0.00 O ATOM 1402 CB PHE A 91 0.052 13.286 -3.754 1.00 0.00 C ATOM 1403 CG PHE A 91 0.975 13.544 -4.911 1.00 0.00 C ATOM 1404 CD1 PHE A 91 2.349 13.486 -4.744 1.00 0.00 C ATOM 1405 CD2 PHE A 91 0.467 13.846 -6.165 1.00 0.00 C ATOM 1406 CE1 PHE A 91 3.201 13.723 -5.806 1.00 0.00 C ATOM 1407 CE2 PHE A 91 1.315 14.084 -7.231 1.00 0.00 C ATOM 1408 CZ PHE A 91 2.682 14.023 -7.051 1.00 0.00 C ATOM 0 H PHE A 91 -0.766 13.187 -1.082 1.00 0.00 H new ATOM 0 HA PHE A 91 1.269 14.663 -2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.188 12.260 -3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -0.979 13.374 -4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.759 13.253 -3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.602 13.896 -6.311 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.270 13.674 -5.663 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.908 14.317 -8.204 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.345 14.210 -7.882 1.00 0.00 H new ATOM 1418 N VAL A 92 -1.982 15.067 -2.230 1.00 0.00 N ATOM 1419 CA VAL A 92 -3.050 16.059 -2.227 1.00 0.00 C ATOM 1420 C VAL A 92 -2.704 17.226 -1.314 1.00 0.00 C ATOM 1421 O VAL A 92 -3.058 18.373 -1.590 1.00 0.00 O ATOM 1422 CB VAL A 92 -4.386 15.443 -1.773 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -4.865 14.410 -2.781 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -4.244 14.825 -0.389 1.00 0.00 C ATOM 0 H VAL A 92 -2.265 14.142 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.156 16.419 -3.251 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.133 16.235 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.810 13.985 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.006 14.886 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.122 13.617 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.197 14.394 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.485 14.044 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.948 15.594 0.324 1.00 0.00 H new ATOM 1638 N THR B 4 -11.128 3.968 12.870 1.00 0.00 N ATOM 1639 CA THR B 4 -11.260 2.649 12.258 1.00 0.00 C ATOM 1640 C THR B 4 -9.911 1.967 12.095 1.00 0.00 C ATOM 1641 O THR B 4 -8.892 2.610 11.841 1.00 0.00 O ATOM 1642 CB THR B 4 -11.977 2.747 10.906 1.00 0.00 C ATOM 1643 OG1 THR B 4 -11.708 1.606 10.110 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.594 3.968 10.095 1.00 0.00 C ATOM 0 HA THR B 4 -11.862 2.037 12.930 1.00 0.00 H new ATOM 0 HB THR B 4 -13.035 2.820 11.156 1.00 0.00 H new ATOM 0 HG1 THR B 4 -11.923 1.802 9.174 1.00 0.00 H new ATOM 0 HG21 THR B 4 -12.143 3.966 9.153 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.840 4.869 10.656 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.523 3.948 9.891 1.00 0.00 H new ATOM 1652 N GLU B 5 -9.922 0.650 12.247 1.00 0.00 N ATOM 1653 CA GLU B 5 -8.719 -0.156 12.120 1.00 0.00 C ATOM 1654 C GLU B 5 -7.957 0.207 10.850 1.00 0.00 C ATOM 1655 O GLU B 5 -6.751 0.453 10.882 1.00 0.00 O ATOM 1656 CB GLU B 5 -9.103 -1.632 12.109 1.00 0.00 C ATOM 1657 CG GLU B 5 -8.208 -2.504 12.977 1.00 0.00 C ATOM 1658 CD GLU B 5 -8.994 -3.491 13.816 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -9.559 -3.074 14.849 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -9.045 -4.681 13.441 1.00 0.00 O ATOM 0 H GLU B 5 -10.762 0.113 12.461 1.00 0.00 H new ATOM 0 HA GLU B 5 -8.065 0.042 12.969 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -10.134 -1.733 12.449 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -9.069 -1.999 11.083 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -7.510 -3.048 12.341 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -7.613 -1.868 13.633 1.00 0.00 H new ATOM 1667 N THR B 6 -8.677 0.257 9.734 1.00 0.00 N ATOM 1668 CA THR B 6 -8.081 0.612 8.454 1.00 0.00 C ATOM 1669 C THR B 6 -7.490 2.014 8.523 1.00 0.00 C ATOM 1670 O THR B 6 -6.431 2.278 7.963 1.00 0.00 O ATOM 1671 CB THR B 6 -9.128 0.540 7.343 1.00 0.00 C ATOM 1672 OG1 THR B 6 -10.045 -0.511 7.585 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.529 0.320 5.972 1.00 0.00 C ATOM 0 H THR B 6 -9.676 0.055 9.692 1.00 0.00 H new ATOM 0 HA THR B 6 -7.284 -0.098 8.231 1.00 0.00 H new ATOM 0 HB THR B 6 -9.627 1.509 7.353 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.151 -1.047 6.771 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.326 0.279 5.229 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.853 1.142 5.734 1.00 0.00 H new ATOM 0 HG23 THR B 6 -7.976 -0.619 5.963 1.00 0.00 H new ATOM 1681 N GLU B 7 -8.174 2.908 9.232 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.705 4.282 9.375 1.00 0.00 C ATOM 1683 C GLU B 7 -6.256 4.299 9.849 1.00 0.00 C ATOM 1684 O GLU B 7 -5.460 5.135 9.424 1.00 0.00 O ATOM 1685 CB GLU B 7 -8.594 5.050 10.361 1.00 0.00 C ATOM 1686 CG GLU B 7 -9.336 6.216 9.729 1.00 0.00 C ATOM 1687 CD GLU B 7 -8.539 7.506 9.770 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -7.293 7.432 9.801 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -9.161 8.588 9.770 1.00 0.00 O ATOM 0 H GLU B 7 -9.050 2.707 9.714 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.761 4.771 8.402 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -9.319 4.362 10.796 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.977 5.423 11.179 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -9.573 5.972 8.693 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -10.284 6.362 10.247 1.00 0.00 H new ATOM 1696 N ARG B 8 -5.920 3.353 10.717 1.00 0.00 N ATOM 1697 CA ARG B 8 -4.563 3.236 11.232 1.00 0.00 C ATOM 1698 C ARG B 8 -3.663 2.543 10.210 1.00 0.00 C ATOM 1699 O ARG B 8 -2.450 2.755 10.190 1.00 0.00 O ATOM 1700 CB ARG B 8 -4.559 2.456 12.547 1.00 0.00 C ATOM 1701 CG ARG B 8 -3.536 2.961 13.553 1.00 0.00 C ATOM 1702 CD ARG B 8 -2.582 1.857 13.983 1.00 0.00 C ATOM 1703 NE ARG B 8 -1.430 2.383 14.712 1.00 0.00 N ATOM 1704 CZ ARG B 8 -0.418 3.028 14.135 1.00 0.00 C ATOM 1705 NH1 ARG B 8 -0.412 3.228 12.823 1.00 0.00 N ATOM 1706 NH2 ARG B 8 0.591 3.473 14.871 1.00 0.00 N ATOM 0 H ARG B 8 -6.570 2.655 11.079 1.00 0.00 H new ATOM 0 HA ARG B 8 -4.177 4.238 11.416 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.552 2.509 12.994 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -4.360 1.405 12.336 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -2.969 3.783 13.115 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -4.051 3.359 14.428 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -3.114 1.143 14.612 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -2.237 1.313 13.104 1.00 0.00 H new ATOM 0 HE ARG B 8 -1.399 2.248 15.723 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -1.185 2.887 12.252 1.00 0.00 H new ATOM 0 HH12 ARG B 8 0.366 3.723 12.386 1.00 0.00 H new ATOM 0 HH21 ARG B 8 0.592 3.321 15.880 1.00 0.00 H new ATOM 0 HH22 ARG B 8 1.366 3.967 14.429 1.00 0.00 H new ATOM 1719 N CYS B 9 -4.269 1.708 9.368 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.529 0.974 8.346 1.00 0.00 C ATOM 1721 C CYS B 9 -2.930 1.922 7.309 1.00 0.00 C ATOM 1722 O CYS B 9 -1.767 1.784 6.927 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.441 -0.073 7.674 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.273 0.469 6.158 1.00 0.00 S ATOM 0 H CYS B 9 -5.272 1.523 9.374 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.703 0.454 8.831 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.843 -0.955 7.443 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.200 -0.382 8.393 1.00 0.00 H new ATOM 0 HG CYS B 9 -6.074 1.455 6.432 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.729 2.880 6.850 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.275 3.835 5.854 1.00 0.00 C ATOM 1732 C ILE B 10 -2.129 4.689 6.383 1.00 0.00 C ATOM 1733 O ILE B 10 -1.054 4.732 5.789 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.425 4.761 5.409 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.631 3.937 4.959 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -3.964 5.680 4.289 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.767 3.925 5.952 1.00 0.00 C ATOM 0 H ILE B 10 -4.694 3.013 7.154 1.00 0.00 H new ATOM 0 HA ILE B 10 -2.923 3.257 4.999 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.723 5.374 6.260 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -5.995 4.331 4.010 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.310 2.911 4.776 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.788 6.327 3.987 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.132 6.291 4.639 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.641 5.082 3.437 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.585 3.320 5.561 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.421 3.502 6.895 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -7.116 4.944 6.118 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.365 5.369 7.497 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.353 6.232 8.099 1.00 0.00 C ATOM 1751 C GLU B 11 -0.037 5.494 8.311 1.00 0.00 C ATOM 1752 O GLU B 11 1.031 6.106 8.344 1.00 0.00 O ATOM 1753 CB GLU B 11 -1.857 6.797 9.426 1.00 0.00 C ATOM 1754 CG GLU B 11 -1.841 8.316 9.476 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.232 8.853 10.756 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -1.839 8.657 11.830 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -0.149 9.469 10.685 1.00 0.00 O ATOM 0 H GLU B 11 -3.250 5.341 8.004 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.168 7.053 7.406 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.874 6.445 9.600 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.241 6.407 10.237 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.279 8.698 8.623 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -2.860 8.689 9.379 1.00 0.00 H new ATOM 1764 N SER B 12 -0.120 4.183 8.478 1.00 0.00 N ATOM 1765 CA SER B 12 1.063 3.369 8.715 1.00 0.00 C ATOM 1766 C SER B 12 2.002 3.327 7.502 1.00 0.00 C ATOM 1767 O SER B 12 3.185 3.636 7.625 1.00 0.00 O ATOM 1768 CB SER B 12 0.641 1.951 9.104 1.00 0.00 C ATOM 1769 OG SER B 12 1.422 1.461 10.182 1.00 0.00 O ATOM 0 H SER B 12 -0.995 3.659 8.454 1.00 0.00 H new ATOM 0 HA SER B 12 1.620 3.830 9.531 1.00 0.00 H new ATOM 0 HB2 SER B 12 -0.413 1.946 9.383 1.00 0.00 H new ATOM 0 HB3 SER B 12 0.746 1.289 8.245 1.00 0.00 H new ATOM 0 HG SER B 12 0.832 1.104 10.878 1.00 0.00 H new ATOM 1775 N LEU B 13 1.486 2.917 6.342 1.00 0.00 N ATOM 1776 CA LEU B 13 2.301 2.808 5.135 1.00 0.00 C ATOM 1777 C LEU B 13 2.694 4.163 4.538 1.00 0.00 C ATOM 1778 O LEU B 13 3.720 4.276 3.875 1.00 0.00 O ATOM 1779 CB LEU B 13 1.573 1.962 4.104 1.00 0.00 C ATOM 1780 CG LEU B 13 1.913 0.477 4.162 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.398 0.259 3.925 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.514 -0.127 5.495 1.00 0.00 C ATOM 0 H LEU B 13 0.508 2.656 6.215 1.00 0.00 H new ATOM 0 HA LEU B 13 3.235 2.327 5.424 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.499 2.083 4.244 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.809 2.339 3.109 1.00 0.00 H new ATOM 0 HG LEU B 13 1.348 -0.021 3.374 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.621 -0.807 3.970 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.670 0.645 2.943 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.969 0.782 4.692 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.769 -1.187 5.505 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.046 0.382 6.299 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.440 -0.011 5.640 1.00 0.00 H new ATOM 1794 N ILE B 14 1.894 5.189 4.760 1.00 0.00 N ATOM 1795 CA ILE B 14 2.208 6.505 4.237 1.00 0.00 C ATOM 1796 C ILE B 14 3.438 7.069 4.898 1.00 0.00 C ATOM 1797 O ILE B 14 4.212 7.794 4.287 1.00 0.00 O ATOM 1798 CB ILE B 14 1.095 7.502 4.531 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.267 6.940 4.193 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.344 8.788 3.790 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.338 7.554 5.046 1.00 0.00 C ATOM 0 H ILE B 14 1.027 5.138 5.295 1.00 0.00 H new ATOM 0 HA ILE B 14 2.349 6.373 3.164 1.00 0.00 H new ATOM 0 HB ILE B 14 1.101 7.705 5.602 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.487 7.123 3.141 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.262 5.859 4.334 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.542 9.494 4.007 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.297 9.212 4.107 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.373 8.591 2.718 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.305 7.129 4.778 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.129 7.348 6.096 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.358 8.632 4.885 1.00 0.00 H new ATOM 1813 N ALA B 15 3.556 6.764 6.169 1.00 0.00 N ATOM 1814 CA ALA B 15 4.626 7.268 6.997 1.00 0.00 C ATOM 1815 C ALA B 15 5.949 6.567 6.728 1.00 0.00 C ATOM 1816 O ALA B 15 7.005 7.198 6.754 1.00 0.00 O ATOM 1817 CB ALA B 15 4.182 7.144 8.436 1.00 0.00 C ATOM 0 H ALA B 15 2.905 6.153 6.662 1.00 0.00 H new ATOM 0 HA ALA B 15 4.820 8.314 6.760 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.968 7.517 9.093 1.00 0.00 H new ATOM 0 HB2 ALA B 15 3.275 7.728 8.588 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.983 6.097 8.666 1.00 0.00 H new ATOM 1823 N VAL B 16 5.896 5.276 6.439 1.00 0.00 N ATOM 1824 CA VAL B 16 7.097 4.525 6.133 1.00 0.00 C ATOM 1825 C VAL B 16 7.823 5.171 4.962 1.00 0.00 C ATOM 1826 O VAL B 16 9.052 5.171 4.889 1.00 0.00 O ATOM 1827 CB VAL B 16 6.752 3.077 5.751 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.961 2.407 6.848 1.00 0.00 C ATOM 1829 CG2 VAL B 16 5.958 3.050 4.464 1.00 0.00 C ATOM 0 H VAL B 16 5.035 4.730 6.411 1.00 0.00 H new ATOM 0 HA VAL B 16 7.730 4.524 7.020 1.00 0.00 H new ATOM 0 HB VAL B 16 7.686 2.533 5.610 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.728 1.383 6.555 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.548 2.397 7.766 1.00 0.00 H new ATOM 0 HG13 VAL B 16 5.034 2.956 7.016 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.720 2.018 4.205 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.034 3.614 4.595 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.547 3.499 3.664 1.00 0.00 H new ATOM 1839 N PHE B 17 7.030 5.696 4.035 1.00 0.00 N ATOM 1840 CA PHE B 17 7.568 6.330 2.833 1.00 0.00 C ATOM 1841 C PHE B 17 8.046 7.761 3.083 1.00 0.00 C ATOM 1842 O PHE B 17 9.215 8.072 2.859 1.00 0.00 O ATOM 1843 CB PHE B 17 6.495 6.333 1.736 1.00 0.00 C ATOM 1844 CG PHE B 17 6.711 7.373 0.669 1.00 0.00 C ATOM 1845 CD1 PHE B 17 7.723 7.228 -0.265 1.00 0.00 C ATOM 1846 CD2 PHE B 17 5.902 8.496 0.608 1.00 0.00 C ATOM 1847 CE1 PHE B 17 7.923 8.185 -1.243 1.00 0.00 C ATOM 1848 CE2 PHE B 17 6.099 9.457 -0.367 1.00 0.00 C ATOM 1849 CZ PHE B 17 7.110 9.300 -1.293 1.00 0.00 C ATOM 0 H PHE B 17 6.012 5.696 4.091 1.00 0.00 H new ATOM 0 HA PHE B 17 8.437 5.750 2.521 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.466 5.349 1.269 1.00 0.00 H new ATOM 0 HB3 PHE B 17 5.520 6.497 2.196 1.00 0.00 H new ATOM 0 HD1 PHE B 17 8.363 6.359 -0.229 1.00 0.00 H new ATOM 0 HD2 PHE B 17 5.109 8.622 1.330 1.00 0.00 H new ATOM 0 HE1 PHE B 17 8.714 8.060 -1.967 1.00 0.00 H new ATOM 0 HE2 PHE B 17 5.463 10.329 -0.404 1.00 0.00 H new ATOM 0 HZ PHE B 17 7.265 10.048 -2.056 1.00 0.00 H new ATOM 1859 N GLN B 18 7.136 8.630 3.519 1.00 0.00 N ATOM 1860 CA GLN B 18 7.470 10.038 3.758 1.00 0.00 C ATOM 1861 C GLN B 18 8.447 10.225 4.910 1.00 0.00 C ATOM 1862 O GLN B 18 9.219 11.182 4.915 1.00 0.00 O ATOM 1863 CB GLN B 18 6.213 10.870 4.013 1.00 0.00 C ATOM 1864 CG GLN B 18 5.179 10.174 4.871 1.00 0.00 C ATOM 1865 CD GLN B 18 3.775 10.664 4.590 1.00 0.00 C ATOM 1866 OE1 GLN B 18 3.394 10.648 3.320 1.00 0.00 O flip ATOM 1867 NE2 GLN B 18 3.043 11.051 5.501 1.00 0.00 N flip ATOM 0 H GLN B 18 6.165 8.388 3.714 1.00 0.00 H new ATOM 0 HA GLN B 18 7.958 10.388 2.848 1.00 0.00 H new ATOM 0 HB2 GLN B 18 6.500 11.805 4.494 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.761 11.130 3.056 1.00 0.00 H new ATOM 0 HG2 GLN B 18 5.228 9.099 4.695 1.00 0.00 H new ATOM 0 HG3 GLN B 18 5.414 10.336 5.923 1.00 0.00 H new ATOM 0 HE21 GLN B 18 3.380 11.045 6.464 1.00 0.00 H new ATOM 0 HE22 GLN B 18 2.099 11.378 5.293 1.00 0.00 H new ATOM 1876 N LYS B 19 8.418 9.330 5.893 1.00 0.00 N ATOM 1877 CA LYS B 19 9.321 9.456 7.033 1.00 0.00 C ATOM 1878 C LYS B 19 10.760 9.627 6.553 1.00 0.00 C ATOM 1879 O LYS B 19 11.445 10.575 6.936 1.00 0.00 O ATOM 1880 CB LYS B 19 9.215 8.226 7.939 1.00 0.00 C ATOM 1881 CG LYS B 19 10.208 8.228 9.092 1.00 0.00 C ATOM 1882 CD LYS B 19 9.504 8.212 10.437 1.00 0.00 C ATOM 1883 CE LYS B 19 9.217 6.791 10.900 1.00 0.00 C ATOM 1884 NZ LYS B 19 7.794 6.412 10.680 1.00 0.00 N ATOM 0 H LYS B 19 7.793 8.525 5.925 1.00 0.00 H new ATOM 0 HA LYS B 19 9.032 10.338 7.604 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.204 8.169 8.342 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.370 7.329 7.339 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.861 7.359 9.012 1.00 0.00 H new ATOM 0 HG3 LYS B 19 10.843 9.111 9.024 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.122 8.719 11.178 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.569 8.768 10.366 1.00 0.00 H new ATOM 0 HE2 LYS B 19 9.865 6.097 10.364 1.00 0.00 H new ATOM 0 HE3 LYS B 19 9.458 6.699 11.959 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 7.640 5.437 11.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 7.176 7.058 11.211 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 7.571 6.475 9.666 1.00 0.00 H new ATOM 1898 N TYR B 20 11.193 8.726 5.680 1.00 0.00 N ATOM 1899 CA TYR B 20 12.528 8.801 5.107 1.00 0.00 C ATOM 1900 C TYR B 20 12.542 9.814 3.974 1.00 0.00 C ATOM 1901 O TYR B 20 13.488 10.582 3.805 1.00 0.00 O ATOM 1902 CB TYR B 20 12.984 7.426 4.615 1.00 0.00 C ATOM 1903 CG TYR B 20 13.939 6.739 5.565 1.00 0.00 C ATOM 1904 CD1 TYR B 20 13.499 6.248 6.786 1.00 0.00 C ATOM 1905 CD2 TYR B 20 15.281 6.588 5.241 1.00 0.00 C ATOM 1906 CE1 TYR B 20 14.370 5.625 7.660 1.00 0.00 C ATOM 1907 CE2 TYR B 20 16.157 5.965 6.108 1.00 0.00 C ATOM 1908 CZ TYR B 20 15.697 5.485 7.316 1.00 0.00 C ATOM 1909 OH TYR B 20 16.568 4.864 8.182 1.00 0.00 O ATOM 0 H TYR B 20 10.638 7.935 5.354 1.00 0.00 H new ATOM 0 HA TYR B 20 13.227 9.126 5.878 1.00 0.00 H new ATOM 0 HB2 TYR B 20 12.110 6.792 4.468 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.465 7.536 3.643 1.00 0.00 H new ATOM 0 HD1 TYR B 20 12.459 6.354 7.058 1.00 0.00 H new ATOM 0 HD2 TYR B 20 15.645 6.964 4.296 1.00 0.00 H new ATOM 0 HE1 TYR B 20 14.012 5.250 8.608 1.00 0.00 H new ATOM 0 HE2 TYR B 20 17.198 5.854 5.841 1.00 0.00 H new ATOM 0 HH TYR B 20 17.363 5.424 8.304 1.00 0.00 H new ATOM 1919 N ALA B 21 11.462 9.789 3.200 1.00 0.00 N ATOM 1920 CA ALA B 21 11.288 10.677 2.062 1.00 0.00 C ATOM 1921 C ALA B 21 11.386 12.144 2.473 1.00 0.00 C ATOM 1922 O ALA B 21 11.708 13.006 1.655 1.00 0.00 O ATOM 1923 CB ALA B 21 9.943 10.389 1.411 1.00 0.00 C ATOM 0 H ALA B 21 10.681 9.149 3.347 1.00 0.00 H new ATOM 0 HA ALA B 21 12.090 10.493 1.347 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.803 11.051 0.556 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.916 9.352 1.076 1.00 0.00 H new ATOM 0 HB3 ALA B 21 9.145 10.558 2.134 1.00 0.00 H new ATOM 1929 N GLY B 22 11.106 12.422 3.742 1.00 0.00 N ATOM 1930 CA GLY B 22 11.168 13.786 4.232 1.00 0.00 C ATOM 1931 C GLY B 22 10.572 13.931 5.618 1.00 0.00 C ATOM 1932 O GLY B 22 9.390 14.246 5.763 1.00 0.00 O ATOM 0 H GLY B 22 10.837 11.728 4.439 1.00 0.00 H new ATOM 0 HA2 GLY B 22 12.207 14.116 4.250 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.638 14.442 3.541 1.00 0.00 H new ATOM 2006 N VAL B 28 7.464 14.781 -1.241 1.00 0.00 N ATOM 2007 CA VAL B 28 6.904 14.415 -2.537 1.00 0.00 C ATOM 2008 C VAL B 28 7.480 13.087 -3.020 1.00 0.00 C ATOM 2009 O VAL B 28 6.767 12.255 -3.580 1.00 0.00 O ATOM 2010 CB VAL B 28 7.176 15.503 -3.597 1.00 0.00 C ATOM 2011 CG1 VAL B 28 8.670 15.664 -3.835 1.00 0.00 C ATOM 2012 CG2 VAL B 28 6.453 15.176 -4.895 1.00 0.00 C ATOM 0 HA VAL B 28 5.827 14.316 -2.405 1.00 0.00 H new ATOM 0 HB VAL B 28 6.791 16.451 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL B 28 8.838 16.436 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL B 28 9.158 15.951 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL B 28 9.086 14.720 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL B 28 6.656 15.954 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.804 14.217 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL B 28 5.380 15.123 -4.710 1.00 0.00 H new ATOM 2022 N THR B 29 8.776 12.897 -2.792 1.00 0.00 N ATOM 2023 CA THR B 29 9.455 11.671 -3.194 1.00 0.00 C ATOM 2024 C THR B 29 10.379 11.181 -2.085 1.00 0.00 C ATOM 2025 O THR B 29 10.442 11.772 -1.008 1.00 0.00 O ATOM 2026 CB THR B 29 10.253 11.898 -4.476 1.00 0.00 C ATOM 2027 OG1 THR B 29 11.042 13.070 -4.378 1.00 0.00 O ATOM 2028 CG2 THR B 29 9.383 12.029 -5.707 1.00 0.00 C ATOM 0 H THR B 29 9.378 13.579 -2.330 1.00 0.00 H new ATOM 0 HA THR B 29 8.699 10.909 -3.381 1.00 0.00 H new ATOM 0 HB THR B 29 10.878 11.012 -4.586 1.00 0.00 H new ATOM 0 HG1 THR B 29 11.546 13.195 -5.209 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.013 12.189 -6.582 1.00 0.00 H new ATOM 0 HG22 THR B 29 8.801 11.117 -5.840 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.708 12.876 -5.587 1.00 0.00 H new ATOM 2036 N LEU B 30 11.093 10.098 -2.359 1.00 0.00 N ATOM 2037 CA LEU B 30 12.016 9.524 -1.386 1.00 0.00 C ATOM 2038 C LEU B 30 13.394 9.290 -2.021 1.00 0.00 C ATOM 2039 O LEU B 30 13.960 10.201 -2.623 1.00 0.00 O ATOM 2040 CB LEU B 30 11.431 8.221 -0.819 1.00 0.00 C ATOM 2041 CG LEU B 30 11.872 7.850 0.606 1.00 0.00 C ATOM 2042 CD1 LEU B 30 11.754 6.350 0.827 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.295 8.319 0.889 1.00 0.00 C ATOM 0 H LEU B 30 11.052 9.598 -3.247 1.00 0.00 H new ATOM 0 HA LEU B 30 12.150 10.226 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.344 8.297 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.702 7.403 -1.487 1.00 0.00 H new ATOM 0 HG LEU B 30 11.207 8.361 1.303 1.00 0.00 H new ATOM 0 HD11 LEU B 30 12.070 6.106 1.841 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.718 6.042 0.686 1.00 0.00 H new ATOM 0 HD13 LEU B 30 12.389 5.826 0.113 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.575 8.040 1.905 1.00 0.00 H new ATOM 0 HD22 LEU B 30 13.980 7.850 0.183 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.349 9.402 0.782 1.00 0.00 H new ATOM 2055 N SER B 31 13.931 8.075 -1.894 1.00 0.00 N ATOM 2056 CA SER B 31 15.228 7.748 -2.465 1.00 0.00 C ATOM 2057 C SER B 31 15.483 6.247 -2.359 1.00 0.00 C ATOM 2058 O SER B 31 15.313 5.654 -1.294 1.00 0.00 O ATOM 2059 CB SER B 31 16.337 8.537 -1.759 1.00 0.00 C ATOM 2060 OG SER B 31 17.434 7.705 -1.417 1.00 0.00 O ATOM 0 H SER B 31 13.483 7.304 -1.399 1.00 0.00 H new ATOM 0 HA SER B 31 15.230 8.027 -3.519 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.680 9.343 -2.407 1.00 0.00 H new ATOM 0 HB3 SER B 31 15.937 9.001 -0.858 1.00 0.00 H new ATOM 0 HG SER B 31 17.954 8.127 -0.702 1.00 0.00 H new ATOM 2066 N LYS B 32 15.881 5.638 -3.470 1.00 0.00 N ATOM 2067 CA LYS B 32 16.148 4.204 -3.502 1.00 0.00 C ATOM 2068 C LYS B 32 17.065 3.792 -2.353 1.00 0.00 C ATOM 2069 O LYS B 32 16.860 2.757 -1.720 1.00 0.00 O ATOM 2070 CB LYS B 32 16.780 3.816 -4.840 1.00 0.00 C ATOM 2071 CG LYS B 32 15.783 3.269 -5.850 1.00 0.00 C ATOM 2072 CD LYS B 32 15.887 1.757 -5.974 1.00 0.00 C ATOM 2073 CE LYS B 32 15.528 1.067 -4.668 1.00 0.00 C ATOM 2074 NZ LYS B 32 16.739 0.686 -3.888 1.00 0.00 N ATOM 0 H LYS B 32 16.026 6.114 -4.360 1.00 0.00 H new ATOM 0 HA LYS B 32 15.199 3.679 -3.388 1.00 0.00 H new ATOM 0 HB2 LYS B 32 17.273 4.690 -5.266 1.00 0.00 H new ATOM 0 HB3 LYS B 32 17.553 3.068 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS B 32 14.772 3.542 -5.548 1.00 0.00 H new ATOM 0 HG3 LYS B 32 15.960 3.728 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS B 32 15.223 1.409 -6.765 1.00 0.00 H new ATOM 0 HD3 LYS B 32 16.901 1.483 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS B 32 14.903 1.729 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS B 32 14.937 0.176 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 16.726 -0.338 -3.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 17.592 0.930 -4.430 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 16.745 1.199 -2.984 1.00 0.00 H new ATOM 2088 N THR B 33 18.075 4.613 -2.091 1.00 0.00 N ATOM 2089 CA THR B 33 19.026 4.346 -1.024 1.00 0.00 C ATOM 2090 C THR B 33 18.403 4.616 0.345 1.00 0.00 C ATOM 2091 O THR B 33 18.578 3.839 1.278 1.00 0.00 O ATOM 2092 CB THR B 33 20.286 5.196 -1.227 1.00 0.00 C ATOM 2093 OG1 THR B 33 21.238 4.499 -2.008 1.00 0.00 O ATOM 2094 CG2 THR B 33 20.964 5.603 0.064 1.00 0.00 C ATOM 0 H THR B 33 18.255 5.474 -2.608 1.00 0.00 H new ATOM 0 HA THR B 33 19.303 3.292 -1.058 1.00 0.00 H new ATOM 0 HB THR B 33 19.939 6.099 -1.730 1.00 0.00 H new ATOM 0 HG1 THR B 33 22.034 5.057 -2.128 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.847 6.201 -0.162 1.00 0.00 H new ATOM 0 HG22 THR B 33 20.273 6.190 0.669 1.00 0.00 H new ATOM 0 HG23 THR B 33 21.262 4.711 0.616 1.00 0.00 H new ATOM 2102 N GLU B 34 17.675 5.721 0.468 1.00 0.00 N ATOM 2103 CA GLU B 34 17.043 6.061 1.737 1.00 0.00 C ATOM 2104 C GLU B 34 16.147 4.920 2.208 1.00 0.00 C ATOM 2105 O GLU B 34 15.958 4.714 3.406 1.00 0.00 O ATOM 2106 CB GLU B 34 16.238 7.355 1.612 1.00 0.00 C ATOM 2107 CG GLU B 34 16.836 8.509 2.398 1.00 0.00 C ATOM 2108 CD GLU B 34 15.995 9.768 2.323 1.00 0.00 C ATOM 2109 OE1 GLU B 34 15.413 10.031 1.249 1.00 0.00 O ATOM 2110 OE2 GLU B 34 15.918 10.491 3.338 1.00 0.00 O ATOM 0 H GLU B 34 17.509 6.389 -0.285 1.00 0.00 H new ATOM 0 HA GLU B 34 17.827 6.217 2.478 1.00 0.00 H new ATOM 0 HB2 GLU B 34 16.173 7.635 0.561 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.220 7.177 1.958 1.00 0.00 H new ATOM 0 HG2 GLU B 34 16.947 8.213 3.441 1.00 0.00 H new ATOM 0 HG3 GLU B 34 17.835 8.722 2.019 1.00 0.00 H new ATOM 2117 N PHE B 35 15.614 4.169 1.253 1.00 0.00 N ATOM 2118 CA PHE B 35 14.755 3.035 1.564 1.00 0.00 C ATOM 2119 C PHE B 35 15.583 1.882 2.125 1.00 0.00 C ATOM 2120 O PHE B 35 15.081 1.056 2.888 1.00 0.00 O ATOM 2121 CB PHE B 35 13.996 2.582 0.314 1.00 0.00 C ATOM 2122 CG PHE B 35 13.031 1.454 0.560 1.00 0.00 C ATOM 2123 CD1 PHE B 35 12.379 1.329 1.777 1.00 0.00 C ATOM 2124 CD2 PHE B 35 12.774 0.519 -0.431 1.00 0.00 C ATOM 2125 CE1 PHE B 35 11.490 0.294 2.001 1.00 0.00 C ATOM 2126 CE2 PHE B 35 11.886 -0.517 -0.212 1.00 0.00 C ATOM 2127 CZ PHE B 35 11.244 -0.630 1.005 1.00 0.00 C ATOM 0 H PHE B 35 15.762 4.325 0.256 1.00 0.00 H new ATOM 0 HA PHE B 35 14.031 3.345 2.318 1.00 0.00 H new ATOM 0 HB2 PHE B 35 13.449 3.432 -0.095 1.00 0.00 H new ATOM 0 HB3 PHE B 35 14.716 2.272 -0.443 1.00 0.00 H new ATOM 0 HD1 PHE B 35 12.568 2.049 2.560 1.00 0.00 H new ATOM 0 HD2 PHE B 35 13.274 0.601 -1.385 1.00 0.00 H new ATOM 0 HE1 PHE B 35 10.989 0.208 2.954 1.00 0.00 H new ATOM 0 HE2 PHE B 35 11.694 -1.238 -0.993 1.00 0.00 H new ATOM 0 HZ PHE B 35 10.551 -1.440 1.178 1.00 0.00 H new ATOM 2137 N LEU B 36 16.856 1.836 1.739 1.00 0.00 N ATOM 2138 CA LEU B 36 17.764 0.792 2.199 1.00 0.00 C ATOM 2139 C LEU B 36 17.837 0.753 3.707 1.00 0.00 C ATOM 2140 O LEU B 36 17.563 -0.267 4.340 1.00 0.00 O ATOM 2141 CB LEU B 36 19.170 1.058 1.674 1.00 0.00 C ATOM 2142 CG LEU B 36 19.532 0.300 0.421 1.00 0.00 C ATOM 2143 CD1 LEU B 36 19.501 -1.192 0.702 1.00 0.00 C ATOM 2144 CD2 LEU B 36 18.583 0.675 -0.706 1.00 0.00 C ATOM 0 H LEU B 36 17.282 2.513 1.106 1.00 0.00 H new ATOM 0 HA LEU B 36 17.381 -0.158 1.827 1.00 0.00 H new ATOM 0 HB2 LEU B 36 19.274 2.125 1.479 1.00 0.00 H new ATOM 0 HB3 LEU B 36 19.888 0.806 2.455 1.00 0.00 H new ATOM 0 HG LEU B 36 20.542 0.566 0.108 1.00 0.00 H new ATOM 0 HD11 LEU B 36 19.763 -1.738 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU B 36 20.218 -1.429 1.488 1.00 0.00 H new ATOM 0 HD13 LEU B 36 18.500 -1.481 1.024 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.852 0.123 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.561 0.426 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.655 1.745 -0.901 1.00 0.00 H new ATOM 2156 N SER B 37 18.242 1.875 4.265 1.00 0.00 N ATOM 2157 CA SER B 37 18.398 1.993 5.700 1.00 0.00 C ATOM 2158 C SER B 37 17.090 1.695 6.426 1.00 0.00 C ATOM 2159 O SER B 37 17.094 1.169 7.537 1.00 0.00 O ATOM 2160 CB SER B 37 18.899 3.390 6.073 1.00 0.00 C ATOM 2161 OG SER B 37 19.646 3.964 5.014 1.00 0.00 O ATOM 0 H SER B 37 18.470 2.722 3.744 1.00 0.00 H new ATOM 0 HA SER B 37 19.137 1.256 6.014 1.00 0.00 H new ATOM 0 HB2 SER B 37 18.051 4.032 6.313 1.00 0.00 H new ATOM 0 HB3 SER B 37 19.518 3.331 6.968 1.00 0.00 H new ATOM 0 HG SER B 37 19.047 4.478 4.432 1.00 0.00 H new ATOM 2167 N PHE B 38 15.972 2.035 5.790 1.00 0.00 N ATOM 2168 CA PHE B 38 14.659 1.802 6.380 1.00 0.00 C ATOM 2169 C PHE B 38 14.461 0.324 6.699 1.00 0.00 C ATOM 2170 O PHE B 38 13.877 -0.029 7.723 1.00 0.00 O ATOM 2171 CB PHE B 38 13.556 2.285 5.438 1.00 0.00 C ATOM 2172 CG PHE B 38 12.188 2.271 6.058 1.00 0.00 C ATOM 2173 CD1 PHE B 38 11.819 3.244 6.972 1.00 0.00 C ATOM 2174 CD2 PHE B 38 11.273 1.286 5.726 1.00 0.00 C ATOM 2175 CE1 PHE B 38 10.560 3.236 7.544 1.00 0.00 C ATOM 2176 CE2 PHE B 38 10.013 1.272 6.293 1.00 0.00 C ATOM 2177 CZ PHE B 38 9.656 2.249 7.203 1.00 0.00 C ATOM 0 H PHE B 38 15.950 2.472 4.868 1.00 0.00 H new ATOM 0 HA PHE B 38 14.603 2.368 7.310 1.00 0.00 H new ATOM 0 HB2 PHE B 38 13.787 3.299 5.111 1.00 0.00 H new ATOM 0 HB3 PHE B 38 13.549 1.656 4.548 1.00 0.00 H new ATOM 0 HD1 PHE B 38 12.523 4.018 7.241 1.00 0.00 H new ATOM 0 HD2 PHE B 38 11.547 0.520 5.016 1.00 0.00 H new ATOM 0 HE1 PHE B 38 10.284 4.000 8.256 1.00 0.00 H new ATOM 0 HE2 PHE B 38 9.308 0.499 6.025 1.00 0.00 H new ATOM 0 HZ PHE B 38 8.671 2.241 7.647 1.00 0.00 H new ATOM 2187 N MET B 39 14.959 -0.539 5.817 1.00 0.00 N ATOM 2188 CA MET B 39 14.845 -1.978 6.014 1.00 0.00 C ATOM 2189 C MET B 39 15.817 -2.443 7.088 1.00 0.00 C ATOM 2190 O MET B 39 15.522 -3.351 7.863 1.00 0.00 O ATOM 2191 CB MET B 39 15.115 -2.717 4.702 1.00 0.00 C ATOM 2192 CG MET B 39 14.267 -2.223 3.539 1.00 0.00 C ATOM 2193 SD MET B 39 13.354 -3.550 2.725 1.00 0.00 S ATOM 2194 CE MET B 39 11.685 -3.196 3.269 1.00 0.00 C ATOM 0 H MET B 39 15.444 -0.266 4.962 1.00 0.00 H new ATOM 0 HA MET B 39 13.830 -2.204 6.340 1.00 0.00 H new ATOM 0 HB2 MET B 39 16.169 -2.609 4.444 1.00 0.00 H new ATOM 0 HB3 MET B 39 14.930 -3.781 4.849 1.00 0.00 H new ATOM 0 HG2 MET B 39 13.563 -1.473 3.901 1.00 0.00 H new ATOM 0 HG3 MET B 39 14.910 -1.731 2.810 1.00 0.00 H new ATOM 0 HE1 MET B 39 11.295 -4.048 3.825 1.00 0.00 H new ATOM 0 HE2 MET B 39 11.691 -2.315 3.911 1.00 0.00 H new ATOM 0 HE3 MET B 39 11.052 -3.008 2.402 1.00 0.00 H new ATOM 2204 N ASN B 40 16.978 -1.811 7.129 1.00 0.00 N ATOM 2205 CA ASN B 40 17.999 -2.148 8.108 1.00 0.00 C ATOM 2206 C ASN B 40 17.620 -1.654 9.505 1.00 0.00 C ATOM 2207 O ASN B 40 18.181 -2.110 10.502 1.00 0.00 O ATOM 2208 CB ASN B 40 19.344 -1.549 7.691 1.00 0.00 C ATOM 2209 CG ASN B 40 19.989 -2.312 6.550 1.00 0.00 C ATOM 2210 OD1 ASN B 40 20.430 -3.449 6.721 1.00 0.00 O ATOM 2211 ND2 ASN B 40 20.048 -1.691 5.377 1.00 0.00 N ATOM 0 H ASN B 40 17.238 -1.058 6.492 1.00 0.00 H new ATOM 0 HA ASN B 40 18.081 -3.234 8.145 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.199 -0.510 7.394 1.00 0.00 H new ATOM 0 HB3 ASN B 40 20.018 -1.544 8.548 1.00 0.00 H new ATOM 0 HD21 ASN B 40 20.471 -2.157 4.574 1.00 0.00 H new ATOM 0 HD22 ASN B 40 19.670 -0.749 5.279 1.00 0.00 H new ATOM 2218 N THR B 41 16.693 -0.697 9.574 1.00 0.00 N ATOM 2219 CA THR B 41 16.287 -0.127 10.860 1.00 0.00 C ATOM 2220 C THR B 41 14.893 -0.561 11.313 1.00 0.00 C ATOM 2221 O THR B 41 14.687 -0.835 12.495 1.00 0.00 O ATOM 2222 CB THR B 41 16.333 1.402 10.801 1.00 0.00 C ATOM 2223 OG1 THR B 41 15.803 1.963 11.988 1.00 0.00 O ATOM 2224 CG2 THR B 41 15.563 1.990 9.636 1.00 0.00 C ATOM 0 H THR B 41 16.214 -0.304 8.764 1.00 0.00 H new ATOM 0 HA THR B 41 16.999 -0.510 11.591 1.00 0.00 H new ATOM 0 HB THR B 41 17.387 1.650 10.676 1.00 0.00 H new ATOM 0 HG1 THR B 41 15.842 2.941 11.933 1.00 0.00 H new ATOM 0 HG21 THR B 41 15.641 3.077 9.660 1.00 0.00 H new ATOM 0 HG22 THR B 41 15.978 1.617 8.700 1.00 0.00 H new ATOM 0 HG23 THR B 41 14.515 1.700 9.709 1.00 0.00 H new ATOM 2232 N GLU B 42 13.921 -0.566 10.405 1.00 0.00 N ATOM 2233 CA GLU B 42 12.550 -0.905 10.790 1.00 0.00 C ATOM 2234 C GLU B 42 11.928 -2.003 9.924 1.00 0.00 C ATOM 2235 O GLU B 42 10.941 -2.622 10.324 1.00 0.00 O ATOM 2236 CB GLU B 42 11.683 0.355 10.735 1.00 0.00 C ATOM 2237 CG GLU B 42 12.404 1.618 11.194 1.00 0.00 C ATOM 2238 CD GLU B 42 12.116 1.959 12.643 1.00 0.00 C ATOM 2239 OE1 GLU B 42 10.928 2.141 12.985 1.00 0.00 O ATOM 2240 OE2 GLU B 42 13.077 2.043 13.436 1.00 0.00 O ATOM 0 H GLU B 42 14.050 -0.345 9.418 1.00 0.00 H new ATOM 0 HA GLU B 42 12.593 -1.301 11.805 1.00 0.00 H new ATOM 0 HB2 GLU B 42 11.332 0.499 9.713 1.00 0.00 H new ATOM 0 HB3 GLU B 42 10.801 0.205 11.357 1.00 0.00 H new ATOM 0 HG2 GLU B 42 13.478 1.487 11.062 1.00 0.00 H new ATOM 0 HG3 GLU B 42 12.104 2.453 10.561 1.00 0.00 H new ATOM 2247 N LEU B 43 12.490 -2.249 8.749 1.00 0.00 N ATOM 2248 CA LEU B 43 11.964 -3.278 7.860 1.00 0.00 C ATOM 2249 C LEU B 43 13.024 -4.333 7.589 1.00 0.00 C ATOM 2250 O LEU B 43 13.289 -4.694 6.442 1.00 0.00 O ATOM 2251 CB LEU B 43 11.468 -2.657 6.551 1.00 0.00 C ATOM 2252 CG LEU B 43 9.977 -2.312 6.523 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.573 -1.796 5.151 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.143 -3.524 6.906 1.00 0.00 C ATOM 0 H LEU B 43 13.306 -1.754 8.389 1.00 0.00 H new ATOM 0 HA LEU B 43 11.117 -3.759 8.348 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.039 -1.749 6.358 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.681 -3.348 5.735 1.00 0.00 H new ATOM 0 HG LEU B 43 9.793 -1.523 7.253 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.510 -1.556 5.151 1.00 0.00 H new ATOM 0 HD12 LEU B 43 10.147 -0.900 4.916 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.772 -2.562 4.401 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.086 -3.261 6.881 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.332 -4.333 6.201 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.412 -3.848 7.911 1.00 0.00 H new ATOM 2266 N ALA B 44 13.632 -4.818 8.665 1.00 0.00 N ATOM 2267 CA ALA B 44 14.671 -5.829 8.570 1.00 0.00 C ATOM 2268 C ALA B 44 14.066 -7.221 8.456 1.00 0.00 C ATOM 2269 O ALA B 44 14.651 -8.114 7.845 1.00 0.00 O ATOM 2270 CB ALA B 44 15.593 -5.735 9.774 1.00 0.00 C ATOM 0 H ALA B 44 13.420 -4.523 9.618 1.00 0.00 H new ATOM 0 HA ALA B 44 15.254 -5.648 7.667 1.00 0.00 H new ATOM 0 HB1 ALA B 44 16.370 -6.495 9.697 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.053 -4.747 9.804 1.00 0.00 H new ATOM 0 HB3 ALA B 44 15.018 -5.895 10.686 1.00 0.00 H new ATOM 2276 N ALA B 45 12.882 -7.397 9.037 1.00 0.00 N ATOM 2277 CA ALA B 45 12.193 -8.681 8.985 1.00 0.00 C ATOM 2278 C ALA B 45 12.017 -9.137 7.539 1.00 0.00 C ATOM 2279 O ALA B 45 11.900 -10.330 7.262 1.00 0.00 O ATOM 2280 CB ALA B 45 10.844 -8.586 9.682 1.00 0.00 C ATOM 0 H ALA B 45 12.382 -6.669 9.547 1.00 0.00 H new ATOM 0 HA ALA B 45 12.801 -9.421 9.506 1.00 0.00 H new ATOM 0 HB1 ALA B 45 10.341 -9.552 9.635 1.00 0.00 H new ATOM 0 HB2 ALA B 45 10.992 -8.304 10.724 1.00 0.00 H new ATOM 0 HB3 ALA B 45 10.231 -7.833 9.186 1.00 0.00 H new ATOM 2286 N PHE B 46 12.011 -8.172 6.621 1.00 0.00 N ATOM 2287 CA PHE B 46 11.860 -8.464 5.201 1.00 0.00 C ATOM 2288 C PHE B 46 13.224 -8.542 4.517 1.00 0.00 C ATOM 2289 O PHE B 46 13.326 -8.402 3.298 1.00 0.00 O ATOM 2290 CB PHE B 46 10.998 -7.390 4.533 1.00 0.00 C ATOM 2291 CG PHE B 46 9.527 -7.578 4.766 1.00 0.00 C ATOM 2292 CD1 PHE B 46 8.773 -8.362 3.910 1.00 0.00 C ATOM 2293 CD2 PHE B 46 8.899 -6.972 5.844 1.00 0.00 C ATOM 2294 CE1 PHE B 46 7.419 -8.541 4.123 1.00 0.00 C ATOM 2295 CE2 PHE B 46 7.545 -7.147 6.062 1.00 0.00 C ATOM 2296 CZ PHE B 46 6.804 -7.931 5.200 1.00 0.00 C ATOM 0 H PHE B 46 12.109 -7.180 6.838 1.00 0.00 H new ATOM 0 HA PHE B 46 11.368 -9.431 5.099 1.00 0.00 H new ATOM 0 HB2 PHE B 46 11.296 -6.411 4.907 1.00 0.00 H new ATOM 0 HB3 PHE B 46 11.192 -7.394 3.460 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.248 -8.839 3.066 1.00 0.00 H new ATOM 0 HD2 PHE B 46 9.474 -6.357 6.520 1.00 0.00 H new ATOM 0 HE1 PHE B 46 6.842 -9.157 3.449 1.00 0.00 H new ATOM 0 HE2 PHE B 46 7.067 -6.671 6.906 1.00 0.00 H new ATOM 0 HZ PHE B 46 5.746 -8.067 5.367 1.00 0.00 H new ATOM 2306 N THR B 47 14.269 -8.764 5.311 1.00 0.00 N ATOM 2307 CA THR B 47 15.627 -8.859 4.786 1.00 0.00 C ATOM 2308 C THR B 47 16.629 -9.079 5.917 1.00 0.00 C ATOM 2309 O THR B 47 17.727 -8.523 5.906 1.00 0.00 O ATOM 2310 CB THR B 47 15.985 -7.590 4.008 1.00 0.00 C ATOM 2311 OG1 THR B 47 17.358 -7.586 3.656 1.00 0.00 O ATOM 2312 CG2 THR B 47 15.704 -6.317 4.776 1.00 0.00 C ATOM 0 H THR B 47 14.200 -8.881 6.322 1.00 0.00 H new ATOM 0 HA THR B 47 15.673 -9.714 4.111 1.00 0.00 H new ATOM 0 HB THR B 47 15.351 -7.608 3.122 1.00 0.00 H new ATOM 0 HG1 THR B 47 17.903 -7.687 4.464 1.00 0.00 H new ATOM 0 HG21 THR B 47 15.980 -5.456 4.167 1.00 0.00 H new ATOM 0 HG22 THR B 47 14.642 -6.265 5.018 1.00 0.00 H new ATOM 0 HG23 THR B 47 16.286 -6.312 5.697 1.00 0.00 H new ATOM 2428 N VAL B 55 13.467 -11.055 -3.328 1.00 0.00 N ATOM 2429 CA VAL B 55 12.291 -10.375 -2.804 1.00 0.00 C ATOM 2430 C VAL B 55 12.489 -8.860 -2.778 1.00 0.00 C ATOM 2431 O VAL B 55 11.783 -8.123 -3.463 1.00 0.00 O ATOM 2432 CB VAL B 55 11.958 -10.861 -1.379 1.00 0.00 C ATOM 2433 CG1 VAL B 55 10.698 -10.185 -0.856 1.00 0.00 C ATOM 2434 CG2 VAL B 55 11.811 -12.376 -1.355 1.00 0.00 C ATOM 0 HA VAL B 55 11.463 -10.615 -3.471 1.00 0.00 H new ATOM 0 HB VAL B 55 12.783 -10.586 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL B 55 10.484 -10.544 0.151 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.847 -9.106 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL B 55 9.860 -10.421 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL B 55 11.576 -12.703 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL B 55 11.007 -12.674 -2.028 1.00 0.00 H new ATOM 0 HG23 VAL B 55 12.744 -12.837 -1.678 1.00 0.00 H new ATOM 2444 N LEU B 56 13.446 -8.403 -1.977 1.00 0.00 N ATOM 2445 CA LEU B 56 13.728 -6.982 -1.854 1.00 0.00 C ATOM 2446 C LEU B 56 14.506 -6.446 -3.055 1.00 0.00 C ATOM 2447 O LEU B 56 14.127 -5.446 -3.661 1.00 0.00 O ATOM 2448 CB LEU B 56 14.533 -6.739 -0.576 1.00 0.00 C ATOM 2449 CG LEU B 56 15.446 -5.516 -0.615 1.00 0.00 C ATOM 2450 CD1 LEU B 56 15.513 -4.852 0.747 1.00 0.00 C ATOM 2451 CD2 LEU B 56 16.837 -5.897 -1.102 1.00 0.00 C ATOM 0 H LEU B 56 14.040 -9.001 -1.402 1.00 0.00 H new ATOM 0 HA LEU B 56 12.776 -6.453 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU B 56 13.839 -6.630 0.258 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.140 -7.621 -0.373 1.00 0.00 H new ATOM 0 HG LEU B 56 15.025 -4.799 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.169 -3.983 0.696 1.00 0.00 H new ATOM 0 HD12 LEU B 56 14.514 -4.536 1.047 1.00 0.00 H new ATOM 0 HD13 LEU B 56 15.904 -5.560 1.478 1.00 0.00 H new ATOM 0 HD21 LEU B 56 17.471 -5.011 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.269 -6.637 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU B 56 16.769 -6.317 -2.106 1.00 0.00 H new ATOM 2463 N ASP B 57 15.612 -7.106 -3.364 1.00 0.00 N ATOM 2464 CA ASP B 57 16.480 -6.689 -4.462 1.00 0.00 C ATOM 2465 C ASP B 57 15.728 -6.579 -5.783 1.00 0.00 C ATOM 2466 O ASP B 57 15.705 -5.515 -6.402 1.00 0.00 O ATOM 2467 CB ASP B 57 17.645 -7.670 -4.607 1.00 0.00 C ATOM 2468 CG ASP B 57 18.916 -6.995 -5.087 1.00 0.00 C ATOM 2469 OD1 ASP B 57 18.903 -5.758 -5.264 1.00 0.00 O ATOM 2470 OD2 ASP B 57 19.925 -7.704 -5.284 1.00 0.00 O ATOM 0 H ASP B 57 15.933 -7.938 -2.868 1.00 0.00 H new ATOM 0 HA ASP B 57 16.859 -5.696 -4.218 1.00 0.00 H new ATOM 0 HB2 ASP B 57 17.833 -8.151 -3.647 1.00 0.00 H new ATOM 0 HB3 ASP B 57 17.368 -8.457 -5.309 1.00 0.00 H new ATOM 2475 N ARG B 58 15.132 -7.677 -6.224 1.00 0.00 N ATOM 2476 CA ARG B 58 14.403 -7.687 -7.486 1.00 0.00 C ATOM 2477 C ARG B 58 13.270 -6.665 -7.489 1.00 0.00 C ATOM 2478 O ARG B 58 12.978 -6.062 -8.520 1.00 0.00 O ATOM 2479 CB ARG B 58 13.842 -9.080 -7.770 1.00 0.00 C ATOM 2480 CG ARG B 58 14.902 -10.168 -7.793 1.00 0.00 C ATOM 2481 CD ARG B 58 15.524 -10.311 -9.173 1.00 0.00 C ATOM 2482 NE ARG B 58 16.941 -10.660 -9.100 1.00 0.00 N ATOM 2483 CZ ARG B 58 17.800 -10.486 -10.103 1.00 0.00 C ATOM 2484 NH1 ARG B 58 17.392 -9.969 -11.255 1.00 0.00 N ATOM 2485 NH2 ARG B 58 19.072 -10.829 -9.952 1.00 0.00 N ATOM 0 H ARG B 58 15.138 -8.569 -5.730 1.00 0.00 H new ATOM 0 HA ARG B 58 15.109 -7.415 -8.271 1.00 0.00 H new ATOM 0 HB2 ARG B 58 13.098 -9.325 -7.012 1.00 0.00 H new ATOM 0 HB3 ARG B 58 13.326 -9.066 -8.730 1.00 0.00 H new ATOM 0 HG2 ARG B 58 15.679 -9.936 -7.065 1.00 0.00 H new ATOM 0 HG3 ARG B 58 14.457 -11.117 -7.493 1.00 0.00 H new ATOM 0 HD2 ARG B 58 14.990 -11.078 -9.734 1.00 0.00 H new ATOM 0 HD3 ARG B 58 15.408 -9.376 -9.722 1.00 0.00 H new ATOM 0 HE ARG B 58 17.293 -11.060 -8.230 1.00 0.00 H new ATOM 0 HH11 ARG B 58 16.415 -9.702 -11.377 1.00 0.00 H new ATOM 0 HH12 ARG B 58 18.055 -9.839 -12.019 1.00 0.00 H new ATOM 0 HH21 ARG B 58 19.392 -11.226 -9.068 1.00 0.00 H new ATOM 0 HH22 ARG B 58 19.731 -10.696 -10.719 1.00 0.00 H new ATOM 2498 N MET B 59 12.626 -6.476 -6.342 1.00 0.00 N ATOM 2499 CA MET B 59 11.531 -5.537 -6.239 1.00 0.00 C ATOM 2500 C MET B 59 12.033 -4.097 -6.213 1.00 0.00 C ATOM 2501 O MET B 59 11.475 -3.230 -6.885 1.00 0.00 O ATOM 2502 CB MET B 59 10.693 -5.859 -5.004 1.00 0.00 C ATOM 2503 CG MET B 59 9.276 -5.347 -5.107 1.00 0.00 C ATOM 2504 SD MET B 59 9.209 -3.560 -5.005 1.00 0.00 S ATOM 2505 CE MET B 59 10.351 -3.299 -3.651 1.00 0.00 C ATOM 0 H MET B 59 12.849 -6.964 -5.474 1.00 0.00 H new ATOM 0 HA MET B 59 10.901 -5.635 -7.123 1.00 0.00 H new ATOM 0 HB2 MET B 59 10.674 -6.939 -4.855 1.00 0.00 H new ATOM 0 HB3 MET B 59 11.168 -5.424 -4.125 1.00 0.00 H new ATOM 0 HG2 MET B 59 8.838 -5.674 -6.050 1.00 0.00 H new ATOM 0 HG3 MET B 59 8.674 -5.780 -4.309 1.00 0.00 H new ATOM 0 HE1 MET B 59 9.879 -2.675 -2.892 1.00 0.00 H new ATOM 0 HE2 MET B 59 10.622 -4.260 -3.213 1.00 0.00 H new ATOM 0 HE3 MET B 59 11.248 -2.803 -4.022 1.00 0.00 H new ATOM 2515 N MET B 60 13.085 -3.843 -5.443 1.00 0.00 N ATOM 2516 CA MET B 60 13.644 -2.498 -5.353 1.00 0.00 C ATOM 2517 C MET B 60 14.253 -2.084 -6.689 1.00 0.00 C ATOM 2518 O MET B 60 14.155 -0.926 -7.096 1.00 0.00 O ATOM 2519 CB MET B 60 14.696 -2.424 -4.240 1.00 0.00 C ATOM 2520 CG MET B 60 14.317 -1.480 -3.105 1.00 0.00 C ATOM 2521 SD MET B 60 14.150 -2.318 -1.517 1.00 0.00 S ATOM 2522 CE MET B 60 12.877 -3.518 -1.896 1.00 0.00 C ATOM 0 H MET B 60 13.565 -4.543 -4.877 1.00 0.00 H new ATOM 0 HA MET B 60 12.837 -1.806 -5.110 1.00 0.00 H new ATOM 0 HB2 MET B 60 14.854 -3.423 -3.833 1.00 0.00 H new ATOM 0 HB3 MET B 60 15.645 -2.101 -4.669 1.00 0.00 H new ATOM 0 HG2 MET B 60 15.074 -0.700 -3.020 1.00 0.00 H new ATOM 0 HG3 MET B 60 13.377 -0.986 -3.349 1.00 0.00 H new ATOM 0 HE1 MET B 60 13.018 -4.405 -1.279 1.00 0.00 H new ATOM 0 HE2 MET B 60 11.897 -3.086 -1.692 1.00 0.00 H new ATOM 0 HE3 MET B 60 12.940 -3.795 -2.948 1.00 0.00 H new ATOM 2670 N GLN B 70 13.108 10.440 -8.876 1.00 0.00 N ATOM 2671 CA GLN B 70 13.210 10.044 -7.475 1.00 0.00 C ATOM 2672 C GLN B 70 12.223 8.926 -7.153 1.00 0.00 C ATOM 2673 O GLN B 70 11.592 8.367 -8.050 1.00 0.00 O ATOM 2674 CB GLN B 70 12.955 11.250 -6.567 1.00 0.00 C ATOM 2675 CG GLN B 70 14.221 11.991 -6.173 1.00 0.00 C ATOM 2676 CD GLN B 70 14.792 11.509 -4.853 1.00 0.00 C ATOM 2677 OE1 GLN B 70 15.276 10.272 -4.833 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 14.797 12.239 -3.862 1.00 0.00 N flip ATOM 0 HA GLN B 70 14.219 9.671 -7.297 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.282 11.941 -7.075 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.445 10.914 -5.664 1.00 0.00 H new ATOM 0 HG2 GLN B 70 14.969 11.866 -6.956 1.00 0.00 H new ATOM 0 HG3 GLN B 70 14.007 13.058 -6.104 1.00 0.00 H new ATOM 0 HE21 GLN B 70 14.415 13.183 -3.922 1.00 0.00 H new ATOM 0 HE22 GLN B 70 15.183 11.900 -2.981 1.00 0.00 H new ATOM 2687 N LEU B 71 12.087 8.610 -5.868 1.00 0.00 N ATOM 2688 CA LEU B 71 11.174 7.570 -5.431 1.00 0.00 C ATOM 2689 C LEU B 71 9.730 7.994 -5.738 1.00 0.00 C ATOM 2690 O LEU B 71 9.474 8.540 -6.809 1.00 0.00 O ATOM 2691 CB LEU B 71 11.410 7.285 -3.936 1.00 0.00 C ATOM 2692 CG LEU B 71 12.149 5.977 -3.622 1.00 0.00 C ATOM 2693 CD1 LEU B 71 11.179 4.807 -3.607 1.00 0.00 C ATOM 2694 CD2 LEU B 71 13.272 5.729 -4.621 1.00 0.00 C ATOM 0 H LEU B 71 12.601 9.064 -5.113 1.00 0.00 H new ATOM 0 HA LEU B 71 11.356 6.641 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU B 71 11.977 8.113 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.444 7.267 -3.430 1.00 0.00 H new ATOM 0 HG LEU B 71 12.594 6.071 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.721 3.888 -3.383 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.418 4.975 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.701 4.718 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.779 4.796 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU B 71 12.856 5.662 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU B 71 13.986 6.552 -4.578 1.00 0.00 H new ATOM 2706 N ASP B 72 8.790 7.762 -4.819 1.00 0.00 N ATOM 2707 CA ASP B 72 7.392 8.149 -5.049 1.00 0.00 C ATOM 2708 C ASP B 72 6.474 7.605 -3.955 1.00 0.00 C ATOM 2709 O ASP B 72 6.833 6.683 -3.223 1.00 0.00 O ATOM 2710 CB ASP B 72 6.911 7.669 -6.429 1.00 0.00 C ATOM 2711 CG ASP B 72 5.440 7.955 -6.672 1.00 0.00 C ATOM 2712 OD1 ASP B 72 5.110 9.107 -7.024 1.00 0.00 O ATOM 2713 OD2 ASP B 72 4.621 7.026 -6.511 1.00 0.00 O ATOM 0 H ASP B 72 8.965 7.314 -3.919 1.00 0.00 H new ATOM 0 HA ASP B 72 7.347 9.238 -5.020 1.00 0.00 H new ATOM 0 HB2 ASP B 72 7.504 8.155 -7.204 1.00 0.00 H new ATOM 0 HB3 ASP B 72 7.087 6.597 -6.517 1.00 0.00 H new ATOM 2718 N PHE B 73 5.289 8.202 -3.849 1.00 0.00 N ATOM 2719 CA PHE B 73 4.303 7.815 -2.845 1.00 0.00 C ATOM 2720 C PHE B 73 4.011 6.313 -2.855 1.00 0.00 C ATOM 2721 O PHE B 73 4.208 5.634 -1.844 1.00 0.00 O ATOM 2722 CB PHE B 73 3.006 8.603 -3.040 1.00 0.00 C ATOM 2723 CG PHE B 73 2.383 8.429 -4.396 1.00 0.00 C ATOM 2724 CD1 PHE B 73 2.844 9.149 -5.487 1.00 0.00 C ATOM 2725 CD2 PHE B 73 1.334 7.542 -4.579 1.00 0.00 C ATOM 2726 CE1 PHE B 73 2.272 8.988 -6.734 1.00 0.00 C ATOM 2727 CE2 PHE B 73 0.759 7.375 -5.826 1.00 0.00 C ATOM 2728 CZ PHE B 73 1.228 8.100 -6.904 1.00 0.00 C ATOM 0 H PHE B 73 4.987 8.965 -4.455 1.00 0.00 H new ATOM 0 HA PHE B 73 4.733 8.053 -1.872 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.288 8.295 -2.280 1.00 0.00 H new ATOM 0 HB3 PHE B 73 3.208 9.662 -2.878 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.661 9.844 -5.361 1.00 0.00 H new ATOM 0 HD2 PHE B 73 0.961 6.975 -3.739 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.641 9.556 -7.575 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -0.056 6.678 -5.957 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.779 7.973 -7.878 1.00 0.00 H new ATOM 2738 N GLN B 74 3.532 5.783 -3.981 1.00 0.00 N ATOM 2739 CA GLN B 74 3.222 4.363 -4.044 1.00 0.00 C ATOM 2740 C GLN B 74 4.473 3.540 -4.254 1.00 0.00 C ATOM 2741 O GLN B 74 4.501 2.367 -3.902 1.00 0.00 O ATOM 2742 CB GLN B 74 2.196 4.033 -5.125 1.00 0.00 C ATOM 2743 CG GLN B 74 1.278 2.882 -4.726 1.00 0.00 C ATOM 2744 CD GLN B 74 1.553 1.599 -5.494 1.00 0.00 C ATOM 2745 OE1 GLN B 74 2.024 0.556 -4.801 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 1.343 1.540 -6.706 1.00 0.00 N flip ATOM 0 H GLN B 74 3.355 6.304 -4.840 1.00 0.00 H new ATOM 0 HA GLN B 74 2.781 4.105 -3.081 1.00 0.00 H new ATOM 0 HB2 GLN B 74 1.595 4.918 -5.333 1.00 0.00 H new ATOM 0 HB3 GLN B 74 2.715 3.776 -6.048 1.00 0.00 H new ATOM 0 HG2 GLN B 74 1.391 2.690 -3.659 1.00 0.00 H new ATOM 0 HG3 GLN B 74 0.242 3.180 -4.889 1.00 0.00 H new ATOM 0 HE21 GLN B 74 0.983 2.356 -7.202 1.00 0.00 H new ATOM 0 HE22 GLN B 74 1.529 0.675 -7.214 1.00 0.00 H new ATOM 2755 N GLU B 75 5.523 4.149 -4.803 1.00 0.00 N ATOM 2756 CA GLU B 75 6.771 3.424 -5.004 1.00 0.00 C ATOM 2757 C GLU B 75 7.085 2.648 -3.744 1.00 0.00 C ATOM 2758 O GLU B 75 7.442 1.487 -3.791 1.00 0.00 O ATOM 2759 CB GLU B 75 7.921 4.374 -5.331 1.00 0.00 C ATOM 2760 CG GLU B 75 8.608 4.059 -6.651 1.00 0.00 C ATOM 2761 CD GLU B 75 9.828 4.923 -6.896 1.00 0.00 C ATOM 2762 OE1 GLU B 75 10.921 4.559 -6.414 1.00 0.00 O ATOM 2763 OE2 GLU B 75 9.693 5.965 -7.574 1.00 0.00 O ATOM 0 H GLU B 75 5.534 5.122 -5.110 1.00 0.00 H new ATOM 0 HA GLU B 75 6.655 2.746 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.541 5.395 -5.362 1.00 0.00 H new ATOM 0 HB3 GLU B 75 8.657 4.332 -4.528 1.00 0.00 H new ATOM 0 HG2 GLU B 75 8.903 3.010 -6.661 1.00 0.00 H new ATOM 0 HG3 GLU B 75 7.899 4.199 -7.467 1.00 0.00 H new ATOM 2770 N PHE B 76 6.909 3.296 -2.609 1.00 0.00 N ATOM 2771 CA PHE B 76 7.150 2.643 -1.342 1.00 0.00 C ATOM 2772 C PHE B 76 6.067 1.611 -1.064 1.00 0.00 C ATOM 2773 O PHE B 76 6.363 0.442 -0.829 1.00 0.00 O ATOM 2774 CB PHE B 76 7.191 3.669 -0.216 1.00 0.00 C ATOM 2775 CG PHE B 76 8.166 3.332 0.872 1.00 0.00 C ATOM 2776 CD1 PHE B 76 7.878 2.343 1.797 1.00 0.00 C ATOM 2777 CD2 PHE B 76 9.372 4.007 0.970 1.00 0.00 C ATOM 2778 CE1 PHE B 76 8.775 2.031 2.801 1.00 0.00 C ATOM 2779 CE2 PHE B 76 10.273 3.701 1.972 1.00 0.00 C ATOM 2780 CZ PHE B 76 9.974 2.712 2.888 1.00 0.00 C ATOM 0 H PHE B 76 6.602 4.266 -2.540 1.00 0.00 H new ATOM 0 HA PHE B 76 8.114 2.137 -1.393 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.448 4.643 -0.633 1.00 0.00 H new ATOM 0 HB3 PHE B 76 6.195 3.760 0.217 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.941 1.809 1.733 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.610 4.781 0.255 1.00 0.00 H new ATOM 0 HE1 PHE B 76 8.539 1.257 3.516 1.00 0.00 H new ATOM 0 HE2 PHE B 76 11.210 4.235 2.039 1.00 0.00 H new ATOM 0 HZ PHE B 76 10.677 2.471 3.672 1.00 0.00 H new ATOM 2790 N LEU B 77 4.806 2.040 -1.107 1.00 0.00 N ATOM 2791 CA LEU B 77 3.695 1.126 -0.873 1.00 0.00 C ATOM 2792 C LEU B 77 3.844 -0.101 -1.764 1.00 0.00 C ATOM 2793 O LEU B 77 3.590 -1.229 -1.343 1.00 0.00 O ATOM 2794 CB LEU B 77 2.363 1.827 -1.133 1.00 0.00 C ATOM 2795 CG LEU B 77 1.717 2.437 0.109 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.714 3.514 -0.275 1.00 0.00 C ATOM 2797 CD2 LEU B 77 1.056 1.353 0.940 1.00 0.00 C ATOM 0 H LEU B 77 4.533 3.004 -1.300 1.00 0.00 H new ATOM 0 HA LEU B 77 3.709 0.806 0.169 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.519 2.615 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.669 1.111 -1.573 1.00 0.00 H new ATOM 0 HG LEU B 77 2.496 2.907 0.709 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.267 3.933 0.627 1.00 0.00 H new ATOM 0 HD12 LEU B 77 1.222 4.303 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.067 3.078 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.599 1.799 1.823 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.289 0.856 0.346 1.00 0.00 H new ATOM 0 HD23 LEU B 77 1.805 0.624 1.249 1.00 0.00 H new ATOM 2809 N ASN B 78 4.296 0.134 -2.990 1.00 0.00 N ATOM 2810 CA ASN B 78 4.532 -0.937 -3.944 1.00 0.00 C ATOM 2811 C ASN B 78 5.824 -1.651 -3.579 1.00 0.00 C ATOM 2812 O ASN B 78 5.941 -2.867 -3.724 1.00 0.00 O ATOM 2813 CB ASN B 78 4.613 -0.380 -5.379 1.00 0.00 C ATOM 2814 CG ASN B 78 5.800 -0.907 -6.168 1.00 0.00 C ATOM 2815 OD1 ASN B 78 6.586 0.003 -6.733 1.00 0.00 O flip ATOM 2816 ND2 ASN B 78 6.008 -2.116 -6.269 1.00 0.00 N flip ATOM 0 H ASN B 78 4.507 1.066 -3.347 1.00 0.00 H new ATOM 0 HA ASN B 78 3.702 -1.642 -3.905 1.00 0.00 H new ATOM 0 HB2 ASN B 78 3.694 -0.630 -5.910 1.00 0.00 H new ATOM 0 HB3 ASN B 78 4.670 0.708 -5.335 1.00 0.00 H new ATOM 0 HD21 ASN B 78 5.379 -2.781 -5.819 1.00 0.00 H new ATOM 0 HD22 ASN B 78 6.809 -2.453 -6.803 1.00 0.00 H new ATOM 2823 N LEU B 79 6.797 -0.875 -3.108 1.00 0.00 N ATOM 2824 CA LEU B 79 8.080 -1.432 -2.733 1.00 0.00 C ATOM 2825 C LEU B 79 7.922 -2.362 -1.546 1.00 0.00 C ATOM 2826 O LEU B 79 8.252 -3.537 -1.633 1.00 0.00 O ATOM 2827 CB LEU B 79 9.092 -0.328 -2.431 1.00 0.00 C ATOM 2828 CG LEU B 79 9.763 0.303 -3.663 1.00 0.00 C ATOM 2829 CD1 LEU B 79 11.192 -0.154 -3.811 1.00 0.00 C ATOM 2830 CD2 LEU B 79 8.998 -0.003 -4.941 1.00 0.00 C ATOM 0 H LEU B 79 6.716 0.134 -2.980 1.00 0.00 H new ATOM 0 HA LEU B 79 8.463 -2.008 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.590 0.459 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.868 -0.736 -1.784 1.00 0.00 H new ATOM 0 HG LEU B 79 9.753 1.381 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.634 0.312 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU B 79 11.759 0.133 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU B 79 11.218 -1.238 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU B 79 9.504 0.460 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU B 79 8.955 -1.082 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU B 79 7.985 0.393 -4.863 1.00 0.00 H new ATOM 2842 N ILE B 80 7.386 -1.834 -0.449 1.00 0.00 N ATOM 2843 CA ILE B 80 7.156 -2.632 0.744 1.00 0.00 C ATOM 2844 C ILE B 80 5.972 -3.566 0.538 1.00 0.00 C ATOM 2845 O ILE B 80 6.032 -4.745 0.887 1.00 0.00 O ATOM 2846 CB ILE B 80 6.915 -1.761 1.993 1.00 0.00 C ATOM 2847 CG1 ILE B 80 7.019 -2.616 3.256 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.559 -1.090 1.922 1.00 0.00 C ATOM 2849 CD1 ILE B 80 5.716 -3.281 3.648 1.00 0.00 C ATOM 0 H ILE B 80 7.104 -0.857 -0.365 1.00 0.00 H new ATOM 0 HA ILE B 80 8.061 -3.215 0.914 1.00 0.00 H new ATOM 0 HB ILE B 80 7.679 -0.985 2.028 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.777 -3.384 3.103 1.00 0.00 H new ATOM 0 HG13 ILE B 80 7.360 -1.991 4.081 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.408 -0.480 2.813 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.512 -0.457 1.036 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.780 -1.850 1.866 1.00 0.00 H new ATOM 0 HD11 ILE B 80 5.866 -3.871 4.552 1.00 0.00 H new ATOM 0 HD12 ILE B 80 4.960 -2.518 3.833 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.383 -3.933 2.841 1.00 0.00 H new ATOM 2861 N GLY B 81 4.896 -3.038 -0.050 1.00 0.00 N ATOM 2862 CA GLY B 81 3.729 -3.859 -0.304 1.00 0.00 C ATOM 2863 C GLY B 81 4.105 -5.093 -1.085 1.00 0.00 C ATOM 2864 O GLY B 81 3.788 -6.212 -0.685 1.00 0.00 O ATOM 0 H GLY B 81 4.816 -2.067 -0.350 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.268 -4.147 0.641 1.00 0.00 H new ATOM 0 HA3 GLY B 81 2.987 -3.284 -0.858 1.00 0.00 H new ATOM 2868 N GLY B 82 4.821 -4.886 -2.189 1.00 0.00 N ATOM 2869 CA GLY B 82 5.271 -6.011 -2.996 1.00 0.00 C ATOM 2870 C GLY B 82 6.022 -7.041 -2.165 1.00 0.00 C ATOM 2871 O GLY B 82 5.819 -8.243 -2.328 1.00 0.00 O ATOM 0 H GLY B 82 5.096 -3.968 -2.537 1.00 0.00 H new ATOM 0 HA2 GLY B 82 4.411 -6.484 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.917 -5.649 -3.796 1.00 0.00 H new ATOM 2875 N LEU B 83 6.880 -6.571 -1.255 1.00 0.00 N ATOM 2876 CA LEU B 83 7.634 -7.479 -0.388 1.00 0.00 C ATOM 2877 C LEU B 83 6.676 -8.279 0.471 1.00 0.00 C ATOM 2878 O LEU B 83 6.843 -9.485 0.650 1.00 0.00 O ATOM 2879 CB LEU B 83 8.603 -6.715 0.510 1.00 0.00 C ATOM 2880 CG LEU B 83 9.231 -5.486 -0.131 1.00 0.00 C ATOM 2881 CD1 LEU B 83 10.329 -4.926 0.746 1.00 0.00 C ATOM 2882 CD2 LEU B 83 9.767 -5.823 -1.512 1.00 0.00 C ATOM 0 H LEU B 83 7.068 -5.580 -1.101 1.00 0.00 H new ATOM 0 HA LEU B 83 8.213 -8.149 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU B 83 8.075 -6.407 1.412 1.00 0.00 H new ATOM 0 HB3 LEU B 83 9.399 -7.392 0.822 1.00 0.00 H new ATOM 0 HG LEU B 83 8.460 -4.723 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.764 -4.048 0.268 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.914 -4.644 1.714 1.00 0.00 H new ATOM 0 HD13 LEU B 83 11.102 -5.682 0.889 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.213 -4.933 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.523 -6.604 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU B 83 8.951 -6.174 -2.143 1.00 0.00 H new ATOM 2894 N ALA B 84 5.658 -7.602 0.991 1.00 0.00 N ATOM 2895 CA ALA B 84 4.659 -8.271 1.820 1.00 0.00 C ATOM 2896 C ALA B 84 4.071 -9.459 1.078 1.00 0.00 C ATOM 2897 O ALA B 84 3.700 -10.468 1.677 1.00 0.00 O ATOM 2898 CB ALA B 84 3.536 -7.316 2.170 1.00 0.00 C ATOM 0 H ALA B 84 5.502 -6.603 0.856 1.00 0.00 H new ATOM 0 HA ALA B 84 5.150 -8.610 2.732 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.800 -7.831 2.788 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.940 -6.465 2.719 1.00 0.00 H new ATOM 0 HB3 ALA B 84 3.059 -6.964 1.255 1.00 0.00 H new ATOM 2904 N VAL B 85 3.988 -9.315 -0.233 1.00 0.00 N ATOM 2905 CA VAL B 85 3.444 -10.357 -1.087 1.00 0.00 C ATOM 2906 C VAL B 85 4.505 -11.377 -1.472 1.00 0.00 C ATOM 2907 O VAL B 85 4.189 -12.485 -1.906 1.00 0.00 O ATOM 2908 CB VAL B 85 2.774 -9.791 -2.363 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.334 -10.254 -2.424 1.00 0.00 C ATOM 2910 CG2 VAL B 85 2.824 -8.268 -2.421 1.00 0.00 C ATOM 0 H VAL B 85 4.293 -8.480 -0.733 1.00 0.00 H new ATOM 0 HA VAL B 85 2.674 -10.854 -0.497 1.00 0.00 H new ATOM 0 HB VAL B 85 3.332 -10.167 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL B 85 0.862 -9.856 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.303 -11.343 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL B 85 0.799 -9.897 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL B 85 2.341 -7.923 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.304 -7.854 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL B 85 3.863 -7.937 -2.412 1.00 0.00 H new ATOM 2920 N ALA B 86 5.759 -10.995 -1.308 1.00 0.00 N ATOM 2921 CA ALA B 86 6.871 -11.866 -1.634 1.00 0.00 C ATOM 2922 C ALA B 86 7.634 -12.275 -0.378 1.00 0.00 C ATOM 2923 O ALA B 86 8.753 -12.784 -0.454 1.00 0.00 O ATOM 2924 CB ALA B 86 7.782 -11.154 -2.606 1.00 0.00 C ATOM 0 H ALA B 86 6.032 -10.081 -0.948 1.00 0.00 H new ATOM 0 HA ALA B 86 6.490 -12.778 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.622 -11.801 -2.858 1.00 0.00 H new ATOM 0 HB2 ALA B 86 7.228 -10.910 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA B 86 8.154 -10.237 -2.150 1.00 0.00 H new ATOM 2930 N CYS B 87 7.019 -12.046 0.779 1.00 0.00 N ATOM 2931 CA CYS B 87 7.632 -12.385 2.055 1.00 0.00 C ATOM 2932 C CYS B 87 6.573 -12.537 3.144 1.00 0.00 C ATOM 2933 O CYS B 87 6.639 -13.458 3.959 1.00 0.00 O ATOM 2934 CB CYS B 87 8.644 -11.311 2.457 1.00 0.00 C ATOM 2935 SG CYS B 87 9.496 -11.646 4.017 1.00 0.00 S ATOM 0 H CYS B 87 6.093 -11.625 0.857 1.00 0.00 H new ATOM 0 HA CYS B 87 8.149 -13.338 1.941 1.00 0.00 H new ATOM 0 HB2 CYS B 87 9.386 -11.211 1.665 1.00 0.00 H new ATOM 0 HB3 CYS B 87 8.130 -10.353 2.535 1.00 0.00 H new ATOM 0 HG CYS B 87 9.556 -10.555 4.721 1.00 0.00 H new ATOM 2941 N HIS B 88 5.596 -11.631 3.157 1.00 0.00 N ATOM 2942 CA HIS B 88 4.531 -11.679 4.153 1.00 0.00 C ATOM 2943 C HIS B 88 3.355 -12.513 3.655 1.00 0.00 C ATOM 2944 O HIS B 88 3.233 -12.781 2.459 1.00 0.00 O ATOM 2945 CB HIS B 88 4.062 -10.266 4.503 1.00 0.00 C ATOM 2946 CG HIS B 88 3.519 -10.144 5.892 1.00 0.00 C ATOM 2947 ND1 HIS B 88 2.223 -10.479 6.225 1.00 0.00 N ATOM 2948 CD2 HIS B 88 4.103 -9.724 7.039 1.00 0.00 C ATOM 2949 CE1 HIS B 88 2.034 -10.267 7.516 1.00 0.00 C ATOM 2950 NE2 HIS B 88 3.160 -9.810 8.032 1.00 0.00 N ATOM 0 H HIS B 88 5.521 -10.860 2.493 1.00 0.00 H new ATOM 0 HA HIS B 88 4.931 -12.151 5.051 1.00 0.00 H new ATOM 0 HB2 HIS B 88 4.897 -9.575 4.386 1.00 0.00 H new ATOM 0 HB3 HIS B 88 3.294 -9.960 3.793 1.00 0.00 H new ATOM 0 HD2 HIS B 88 5.122 -9.384 7.151 1.00 0.00 H new ATOM 0 HE1 HIS B 88 1.115 -10.438 8.057 1.00 0.00 H new ATOM 0 HE2 HIS B 88 3.305 -9.561 9.010 1.00 0.00 H new ATOM 2959 N GLU B 89 2.492 -12.922 4.579 1.00 0.00 N ATOM 2960 CA GLU B 89 1.326 -13.728 4.235 1.00 0.00 C ATOM 2961 C GLU B 89 0.428 -12.997 3.242 1.00 0.00 C ATOM 2962 O GLU B 89 -0.182 -11.981 3.573 1.00 0.00 O ATOM 2963 CB GLU B 89 0.532 -14.080 5.496 1.00 0.00 C ATOM 2964 CG GLU B 89 0.949 -15.398 6.128 1.00 0.00 C ATOM 2965 CD GLU B 89 2.437 -15.463 6.413 1.00 0.00 C ATOM 2966 OE1 GLU B 89 3.224 -15.530 5.446 1.00 0.00 O ATOM 2967 OE2 GLU B 89 2.815 -15.448 7.604 1.00 0.00 O ATOM 0 H GLU B 89 2.578 -12.708 5.573 1.00 0.00 H new ATOM 0 HA GLU B 89 1.679 -14.647 3.767 1.00 0.00 H new ATOM 0 HB2 GLU B 89 0.654 -13.281 6.227 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -0.528 -14.125 5.247 1.00 0.00 H new ATOM 0 HG2 GLU B 89 0.398 -15.541 7.058 1.00 0.00 H new ATOM 0 HG3 GLU B 89 0.674 -16.218 5.465 1.00 0.00 H new ATOM 2974 N SER B 90 0.353 -13.524 2.024 1.00 0.00 N ATOM 2975 CA SER B 90 -0.470 -12.925 0.979 1.00 0.00 C ATOM 2976 C SER B 90 -0.379 -13.734 -0.311 1.00 0.00 C ATOM 2977 O SER B 90 -1.395 -14.147 -0.871 1.00 0.00 O ATOM 2978 CB SER B 90 -0.039 -11.479 0.724 1.00 0.00 C ATOM 2979 OG SER B 90 1.283 -11.253 1.180 1.00 0.00 O ATOM 0 H SER B 90 0.853 -14.365 1.736 1.00 0.00 H new ATOM 0 HA SER B 90 -1.506 -12.930 1.318 1.00 0.00 H new ATOM 0 HB2 SER B 90 -0.102 -11.260 -0.342 1.00 0.00 H new ATOM 0 HB3 SER B 90 -0.723 -10.798 1.230 1.00 0.00 H new ATOM 0 HG SER B 90 1.278 -10.549 1.862 1.00 0.00 H new ATOM 2985 N PHE B 91 0.846 -13.962 -0.776 1.00 0.00 N ATOM 2986 CA PHE B 91 1.072 -14.726 -1.997 1.00 0.00 C ATOM 2987 C PHE B 91 2.066 -15.856 -1.750 1.00 0.00 C ATOM 2988 O PHE B 91 1.847 -16.993 -2.169 1.00 0.00 O ATOM 2989 CB PHE B 91 1.587 -13.812 -3.111 1.00 0.00 C ATOM 2990 CG PHE B 91 0.989 -14.112 -4.456 1.00 0.00 C ATOM 2991 CD1 PHE B 91 -0.383 -14.053 -4.647 1.00 0.00 C ATOM 2992 CD2 PHE B 91 1.797 -14.452 -5.529 1.00 0.00 C ATOM 2993 CE1 PHE B 91 -0.937 -14.329 -5.883 1.00 0.00 C ATOM 2994 CE2 PHE B 91 1.249 -14.728 -6.767 1.00 0.00 C ATOM 2995 CZ PHE B 91 -0.120 -14.667 -6.944 1.00 0.00 C ATOM 0 H PHE B 91 1.697 -13.628 -0.325 1.00 0.00 H new ATOM 0 HA PHE B 91 0.121 -15.160 -2.307 1.00 0.00 H new ATOM 0 HB2 PHE B 91 1.371 -12.776 -2.849 1.00 0.00 H new ATOM 0 HB3 PHE B 91 2.671 -13.906 -3.175 1.00 0.00 H new ATOM 0 HD1 PHE B 91 -1.026 -13.788 -3.821 1.00 0.00 H new ATOM 0 HD2 PHE B 91 2.868 -14.502 -5.396 1.00 0.00 H new ATOM 0 HE1 PHE B 91 -2.007 -14.280 -6.019 1.00 0.00 H new ATOM 0 HE2 PHE B 91 1.890 -14.991 -7.595 1.00 0.00 H new ATOM 0 HZ PHE B 91 -0.551 -14.883 -7.911 1.00 0.00 H new ATOM 3005 N VAL B 92 3.157 -15.535 -1.063 1.00 0.00 N ATOM 3006 CA VAL B 92 4.184 -16.522 -0.755 1.00 0.00 C ATOM 3007 C VAL B 92 3.614 -17.662 0.076 1.00 0.00 C ATOM 3008 O VAL B 92 4.022 -18.815 -0.064 1.00 0.00 O ATOM 3009 CB VAL B 92 5.363 -15.887 0.004 1.00 0.00 C ATOM 3010 CG1 VAL B 92 6.088 -14.886 -0.882 1.00 0.00 C ATOM 3011 CG2 VAL B 92 4.876 -15.226 1.284 1.00 0.00 C ATOM 0 H VAL B 92 3.352 -14.599 -0.709 1.00 0.00 H new ATOM 0 HA VAL B 92 4.544 -16.913 -1.706 1.00 0.00 H new ATOM 0 HB VAL B 92 6.068 -16.674 0.274 1.00 0.00 H new ATOM 0 HG11 VAL B 92 6.919 -14.446 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL B 92 6.469 -15.394 -1.768 1.00 0.00 H new ATOM 0 HG13 VAL B 92 5.396 -14.100 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL B 92 5.722 -14.782 1.809 1.00 0.00 H new ATOM 0 HG22 VAL B 92 4.152 -14.449 1.039 1.00 0.00 H new ATOM 0 HG23 VAL B 92 4.404 -15.973 1.923 1.00 0.00 H new