USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1045 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot -120:sc= 0.602 USER MOD Set 1.2: A 57 TYR OH : rot 180:sc= 0.94 USER MOD Set 1.3: A 59 LYS NZ :NH3+ 156:sc= 1.67 (180deg=0.107) USER MOD Set 2.1: A 12 CYS SG : rot 180:sc= -1.18 USER MOD Set 2.2: A 126 HIS : no HD1:sc= -1.71 K(o=-2.9,f=-3.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -90:sc= -2.14! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 21:sc= 0.445 USER MOD Single : A 20 TYR OH : rot -69:sc= 0.434 USER MOD Single : A 27 SER OG : rot 37:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.279 K(o=0.28,f=-8.1!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 104:sc= 0.841 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= -0.788 (180deg=-1.12) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.433 F(o=-1,f=-0.43) USER MOD Single : A 76 GLN : amide:sc= -0.772 X(o=-0.77,f=-0.32) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 63:sc= -0.474 USER MOD Single : A 91 TYR OH : rot 30:sc= -1.26 USER MOD Single : A 97 GLN :FLIP amide:sc= -0.838 F(o=-2.1!,f=-0.84) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0774 USER MOD Single : A 103 SER OG : rot 152:sc= -1.81 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN :FLIP amide:sc= -0.0466 F(o=-0.91,f=-0.047) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.322 20.653 3.822 1.00 0.00 N ATOM 2 CA MET A 1 -16.020 19.198 3.901 1.00 0.00 C ATOM 3 C MET A 1 -14.644 18.889 3.317 1.00 0.00 C ATOM 4 O MET A 1 -14.521 18.132 2.354 1.00 0.00 O ATOM 5 CB MET A 1 -17.104 18.431 3.137 1.00 0.00 C ATOM 6 CG MET A 1 -18.407 18.291 3.909 1.00 0.00 C ATOM 7 SD MET A 1 -19.588 17.204 3.086 1.00 0.00 S ATOM 8 CE MET A 1 -21.120 18.089 3.372 1.00 0.00 C ATOM 0 H1 MET A 1 -17.263 20.835 4.226 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.607 21.186 4.357 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.307 20.957 2.828 1.00 0.00 H new ATOM 0 HA MET A 1 -16.010 18.891 4.947 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.303 18.941 2.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.729 17.438 2.890 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.195 17.903 4.905 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.855 19.276 4.039 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.947 17.540 2.921 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.290 18.185 4.444 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.056 19.081 2.925 1.00 0.00 H new ATOM 20 N ALA A 2 -13.607 19.481 3.907 1.00 0.00 N ATOM 21 CA ALA A 2 -12.239 19.267 3.445 1.00 0.00 C ATOM 22 C ALA A 2 -11.240 20.058 4.285 1.00 0.00 C ATOM 23 O ALA A 2 -11.626 20.820 5.172 1.00 0.00 O ATOM 24 CB ALA A 2 -12.112 19.650 1.978 1.00 0.00 C ATOM 0 H ALA A 2 -13.689 20.111 4.705 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.009 18.208 3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.087 19.485 1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.789 19.038 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.369 20.702 1.853 1.00 0.00 H new ATOM 30 N ALA A 3 -9.954 19.873 3.998 1.00 0.00 N ATOM 31 CA ALA A 3 -8.899 20.568 4.725 1.00 0.00 C ATOM 32 C ALA A 3 -7.598 20.579 3.927 1.00 0.00 C ATOM 33 O ALA A 3 -7.457 19.857 2.941 1.00 0.00 O ATOM 34 CB ALA A 3 -8.685 19.926 6.088 1.00 0.00 C ATOM 0 H ALA A 3 -9.619 19.247 3.266 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.211 21.602 4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.894 20.456 6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.609 19.980 6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -8.399 18.882 5.958 1.00 0.00 H new ATOM 40 N GLU A 4 -6.652 21.407 4.360 1.00 0.00 N ATOM 41 CA GLU A 4 -5.362 21.517 3.685 1.00 0.00 C ATOM 42 C GLU A 4 -4.254 21.865 4.678 1.00 0.00 C ATOM 43 O GLU A 4 -4.395 22.787 5.481 1.00 0.00 O ATOM 44 CB GLU A 4 -5.434 22.581 2.587 1.00 0.00 C ATOM 45 CG GLU A 4 -5.548 23.998 3.126 1.00 0.00 C ATOM 46 CD GLU A 4 -6.149 24.961 2.122 1.00 0.00 C ATOM 47 OE1 GLU A 4 -5.384 25.540 1.323 1.00 0.00 O ATOM 48 OE2 GLU A 4 -7.385 25.136 2.135 1.00 0.00 O ATOM 0 H GLU A 4 -6.754 22.012 5.175 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.128 20.552 3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.544 22.508 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.291 22.374 1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.161 23.991 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.559 24.353 3.416 1.00 0.00 H new ATOM 55 N LEU A 5 -3.152 21.123 4.611 1.00 0.00 N ATOM 56 CA LEU A 5 -2.017 21.349 5.501 1.00 0.00 C ATOM 57 C LEU A 5 -0.698 21.196 4.744 1.00 0.00 C ATOM 58 O LEU A 5 -0.400 20.126 4.214 1.00 0.00 O ATOM 59 CB LEU A 5 -2.059 20.359 6.672 1.00 0.00 C ATOM 60 CG LEU A 5 -2.344 20.974 8.047 1.00 0.00 C ATOM 61 CD1 LEU A 5 -1.446 22.175 8.299 1.00 0.00 C ATOM 62 CD2 LEU A 5 -3.810 21.364 8.163 1.00 0.00 C ATOM 0 H LEU A 5 -3.021 20.359 3.948 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.083 22.366 5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.822 19.609 6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.103 19.837 6.718 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.127 20.225 8.808 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.666 22.595 9.281 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.402 21.863 8.264 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.625 22.930 7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.994 21.799 9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.054 22.094 7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.433 20.479 8.035 1.00 0.00 H new ATOM 74 N GLU A 6 0.090 22.267 4.703 1.00 0.00 N ATOM 75 CA GLU A 6 1.379 22.238 4.013 1.00 0.00 C ATOM 76 C GLU A 6 2.473 21.723 4.941 1.00 0.00 C ATOM 77 O GLU A 6 3.109 22.497 5.656 1.00 0.00 O ATOM 78 CB GLU A 6 1.755 23.629 3.498 1.00 0.00 C ATOM 79 CG GLU A 6 0.738 24.224 2.536 1.00 0.00 C ATOM 80 CD GLU A 6 0.296 25.616 2.940 1.00 0.00 C ATOM 81 OE1 GLU A 6 1.044 26.285 3.684 1.00 0.00 O ATOM 82 OE2 GLU A 6 -0.799 26.040 2.512 1.00 0.00 O ATOM 0 H GLU A 6 -0.138 23.162 5.136 1.00 0.00 H new ATOM 0 HA GLU A 6 1.285 21.563 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.873 24.301 4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.723 23.572 2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.168 24.260 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.133 23.571 2.485 1.00 0.00 H new ATOM 89 N TYR A 7 2.686 20.413 4.925 1.00 0.00 N ATOM 90 CA TYR A 7 3.702 19.794 5.766 1.00 0.00 C ATOM 91 C TYR A 7 4.141 18.455 5.188 1.00 0.00 C ATOM 92 O TYR A 7 3.760 18.095 4.073 1.00 0.00 O ATOM 93 CB TYR A 7 3.166 19.600 7.185 1.00 0.00 C ATOM 94 CG TYR A 7 4.149 19.998 8.261 1.00 0.00 C ATOM 95 CD1 TYR A 7 4.422 21.335 8.516 1.00 0.00 C ATOM 96 CD2 TYR A 7 4.806 19.038 9.019 1.00 0.00 C ATOM 97 CE1 TYR A 7 5.324 21.705 9.497 1.00 0.00 C ATOM 98 CE2 TYR A 7 5.708 19.398 10.002 1.00 0.00 C ATOM 99 CZ TYR A 7 5.963 20.732 10.236 1.00 0.00 C ATOM 100 OH TYR A 7 6.861 21.095 11.214 1.00 0.00 O ATOM 0 H TYR A 7 2.168 19.759 4.338 1.00 0.00 H new ATOM 0 HA TYR A 7 4.567 20.456 5.799 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.254 20.185 7.303 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.894 18.553 7.322 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.922 22.099 7.939 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.609 17.992 8.837 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.527 22.749 9.683 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.210 18.639 10.583 1.00 0.00 H new ATOM 0 HH TYR A 7 7.222 20.290 11.642 1.00 0.00 H new ATOM 110 N GLU A 8 4.939 17.718 5.951 1.00 0.00 N ATOM 111 CA GLU A 8 5.422 16.418 5.509 1.00 0.00 C ATOM 112 C GLU A 8 4.325 15.373 5.636 1.00 0.00 C ATOM 113 O GLU A 8 4.017 14.909 6.733 1.00 0.00 O ATOM 114 CB GLU A 8 6.644 15.992 6.324 1.00 0.00 C ATOM 115 CG GLU A 8 7.780 17.000 6.286 1.00 0.00 C ATOM 116 CD GLU A 8 8.440 17.082 4.922 1.00 0.00 C ATOM 117 OE1 GLU A 8 7.847 16.584 3.943 1.00 0.00 O ATOM 118 OE2 GLU A 8 9.551 17.646 4.835 1.00 0.00 O ATOM 0 H GLU A 8 5.264 17.998 6.876 1.00 0.00 H new ATOM 0 HA GLU A 8 5.712 16.501 4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.343 15.835 7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.006 15.035 5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.398 17.983 6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.527 16.729 7.032 1.00 0.00 H new ATOM 125 N SER A 9 3.733 15.011 4.506 1.00 0.00 N ATOM 126 CA SER A 9 2.666 14.025 4.499 1.00 0.00 C ATOM 127 C SER A 9 2.528 13.375 3.130 1.00 0.00 C ATOM 128 O SER A 9 2.328 14.053 2.122 1.00 0.00 O ATOM 129 CB SER A 9 1.342 14.672 4.907 1.00 0.00 C ATOM 130 OG SER A 9 0.320 13.701 5.030 1.00 0.00 O ATOM 0 H SER A 9 3.973 15.384 3.588 1.00 0.00 H new ATOM 0 HA SER A 9 2.921 13.249 5.221 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.466 15.197 5.854 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.053 15.417 4.166 1.00 0.00 H new ATOM 0 HG SER A 9 -0.135 13.594 4.169 1.00 0.00 H new ATOM 136 N VAL A 10 2.640 12.052 3.108 1.00 0.00 N ATOM 137 CA VAL A 10 2.533 11.286 1.868 1.00 0.00 C ATOM 138 C VAL A 10 1.266 11.646 1.085 1.00 0.00 C ATOM 139 O VAL A 10 1.307 11.784 -0.137 1.00 0.00 O ATOM 140 CB VAL A 10 2.538 9.774 2.160 1.00 0.00 C ATOM 141 CG1 VAL A 10 3.869 9.359 2.768 1.00 0.00 C ATOM 142 CG2 VAL A 10 1.387 9.398 3.083 1.00 0.00 C ATOM 0 H VAL A 10 2.806 11.483 3.938 1.00 0.00 H new ATOM 0 HA VAL A 10 3.400 11.543 1.259 1.00 0.00 H new ATOM 0 HB VAL A 10 2.404 9.241 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.859 8.288 2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.675 9.590 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.028 9.902 3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.410 8.325 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.485 9.938 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.441 9.661 2.610 1.00 0.00 H new ATOM 152 N LEU A 11 0.150 11.807 1.795 1.00 0.00 N ATOM 153 CA LEU A 11 -1.124 12.167 1.177 1.00 0.00 C ATOM 154 C LEU A 11 -1.566 11.153 0.130 1.00 0.00 C ATOM 155 O LEU A 11 -2.273 11.499 -0.815 1.00 0.00 O ATOM 156 CB LEU A 11 -1.047 13.572 0.566 1.00 0.00 C ATOM 157 CG LEU A 11 -0.527 13.658 -0.879 1.00 0.00 C ATOM 158 CD1 LEU A 11 -1.566 14.302 -1.787 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.782 14.434 -0.932 1.00 0.00 C ATOM 0 H LEU A 11 0.104 11.692 2.807 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.876 12.163 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.043 14.014 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.405 14.185 1.198 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.341 12.645 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.178 14.353 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.478 13.706 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.786 15.309 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.134 14.484 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.622 15.444 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.529 13.931 -0.318 1.00 0.00 H new ATOM 171 N CYS A 12 -1.165 9.904 0.305 1.00 0.00 N ATOM 172 CA CYS A 12 -1.550 8.863 -0.634 1.00 0.00 C ATOM 173 C CYS A 12 -2.992 8.440 -0.392 1.00 0.00 C ATOM 174 O CYS A 12 -3.461 8.409 0.747 1.00 0.00 O ATOM 175 CB CYS A 12 -0.627 7.652 -0.527 1.00 0.00 C ATOM 176 SG CYS A 12 1.127 8.035 -0.725 1.00 0.00 S ATOM 0 H CYS A 12 -0.580 9.589 1.079 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.460 9.272 -1.641 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.777 7.180 0.444 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.915 6.922 -1.283 1.00 0.00 H new ATOM 0 HG CYS A 12 1.825 6.943 -0.616 1.00 0.00 H new ATOM 182 N VAL A 13 -3.688 8.123 -1.474 1.00 0.00 N ATOM 183 CA VAL A 13 -5.081 7.707 -1.402 1.00 0.00 C ATOM 184 C VAL A 13 -5.468 6.914 -2.643 1.00 0.00 C ATOM 185 O VAL A 13 -4.795 6.990 -3.670 1.00 0.00 O ATOM 186 CB VAL A 13 -6.024 8.923 -1.285 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.828 9.642 0.037 1.00 0.00 C ATOM 188 CG2 VAL A 13 -5.807 9.877 -2.447 1.00 0.00 C ATOM 0 H VAL A 13 -3.307 8.146 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.184 7.084 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.051 8.558 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.505 10.494 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.039 8.957 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.798 9.992 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.480 10.729 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.775 10.227 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.010 9.360 -3.385 1.00 0.00 H new ATOM 198 N LYS A 14 -6.558 6.164 -2.552 1.00 0.00 N ATOM 199 CA LYS A 14 -7.023 5.378 -3.682 1.00 0.00 C ATOM 200 C LYS A 14 -8.391 4.772 -3.394 1.00 0.00 C ATOM 201 O LYS A 14 -8.507 3.769 -2.688 1.00 0.00 O ATOM 202 CB LYS A 14 -6.012 4.285 -4.030 1.00 0.00 C ATOM 203 CG LYS A 14 -5.868 4.043 -5.526 1.00 0.00 C ATOM 204 CD LYS A 14 -5.530 5.326 -6.274 1.00 0.00 C ATOM 205 CE LYS A 14 -5.689 5.160 -7.777 1.00 0.00 C ATOM 206 NZ LYS A 14 -4.847 6.131 -8.528 1.00 0.00 N ATOM 0 H LYS A 14 -7.132 6.085 -1.713 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.120 6.042 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.040 4.557 -3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.314 3.355 -3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.087 3.303 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.796 3.627 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.177 6.131 -5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.505 5.620 -6.047 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.416 4.144 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.735 5.297 -8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.981 5.989 -9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.125 7.101 -8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.846 5.983 -8.286 1.00 0.00 H new ATOM 220 N PRO A 15 -9.451 5.388 -3.942 1.00 0.00 N ATOM 221 CA PRO A 15 -10.824 4.923 -3.747 1.00 0.00 C ATOM 222 C PRO A 15 -11.105 3.619 -4.487 1.00 0.00 C ATOM 223 O PRO A 15 -11.978 2.846 -4.095 1.00 0.00 O ATOM 224 CB PRO A 15 -11.666 6.062 -4.328 1.00 0.00 C ATOM 225 CG PRO A 15 -10.782 6.714 -5.333 1.00 0.00 C ATOM 226 CD PRO A 15 -9.387 6.593 -4.794 1.00 0.00 C ATOM 0 HA PRO A 15 -11.038 4.706 -2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.578 5.684 -4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.969 6.765 -3.552 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.869 6.227 -6.304 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.057 7.759 -5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.656 6.481 -5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.100 7.475 -4.221 1.00 0.00 H new ATOM 234 N ASP A 16 -10.365 3.386 -5.565 1.00 0.00 N ATOM 235 CA ASP A 16 -10.544 2.179 -6.365 1.00 0.00 C ATOM 236 C ASP A 16 -9.321 1.266 -6.290 1.00 0.00 C ATOM 237 O ASP A 16 -8.396 1.394 -7.089 1.00 0.00 O ATOM 238 CB ASP A 16 -10.827 2.558 -7.820 1.00 0.00 C ATOM 239 CG ASP A 16 -12.125 3.327 -7.972 1.00 0.00 C ATOM 240 OD1 ASP A 16 -12.383 4.225 -7.143 1.00 0.00 O ATOM 241 OD2 ASP A 16 -12.883 3.030 -8.919 1.00 0.00 O ATOM 0 H ASP A 16 -9.637 4.015 -5.905 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.393 1.630 -5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.003 3.160 -8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.870 1.654 -8.427 1.00 0.00 H new ATOM 246 N VAL A 17 -9.332 0.338 -5.332 1.00 0.00 N ATOM 247 CA VAL A 17 -8.228 -0.606 -5.159 1.00 0.00 C ATOM 248 C VAL A 17 -8.703 -1.896 -4.500 1.00 0.00 C ATOM 249 O VAL A 17 -9.718 -1.911 -3.807 1.00 0.00 O ATOM 250 CB VAL A 17 -7.090 -0.007 -4.312 1.00 0.00 C ATOM 251 CG1 VAL A 17 -6.143 0.792 -5.193 1.00 0.00 C ATOM 252 CG2 VAL A 17 -7.649 0.853 -3.185 1.00 0.00 C ATOM 0 H VAL A 17 -10.094 0.220 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.850 -0.823 -6.158 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.528 -0.823 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.343 1.210 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.715 0.139 -5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.691 1.601 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.827 1.266 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.239 1.667 -3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.282 0.242 -2.541 1.00 0.00 H new ATOM 262 N SER A 18 -7.961 -2.979 -4.720 1.00 0.00 N ATOM 263 CA SER A 18 -8.309 -4.276 -4.145 1.00 0.00 C ATOM 264 C SER A 18 -7.195 -4.786 -3.234 1.00 0.00 C ATOM 265 O SER A 18 -6.049 -4.906 -3.655 1.00 0.00 O ATOM 266 CB SER A 18 -8.583 -5.287 -5.257 1.00 0.00 C ATOM 267 OG SER A 18 -7.507 -5.343 -6.176 1.00 0.00 O ATOM 0 H SER A 18 -7.116 -2.984 -5.291 1.00 0.00 H new ATOM 0 HA SER A 18 -9.211 -4.153 -3.545 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.745 -6.274 -4.823 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.499 -5.015 -5.782 1.00 0.00 H new ATOM 0 HG SER A 18 -6.696 -4.993 -5.752 1.00 0.00 H new ATOM 273 N VAL A 19 -7.540 -5.078 -1.985 1.00 0.00 N ATOM 274 CA VAL A 19 -6.560 -5.560 -1.013 1.00 0.00 C ATOM 275 C VAL A 19 -6.620 -7.076 -0.853 1.00 0.00 C ATOM 276 O VAL A 19 -7.598 -7.713 -1.233 1.00 0.00 O ATOM 277 CB VAL A 19 -6.763 -4.915 0.376 1.00 0.00 C ATOM 278 CG1 VAL A 19 -5.431 -4.505 0.985 1.00 0.00 C ATOM 279 CG2 VAL A 19 -7.711 -3.726 0.299 1.00 0.00 C ATOM 0 H VAL A 19 -8.488 -4.990 -1.620 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.585 -5.274 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.218 -5.663 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.601 -4.054 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.796 -5.384 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.939 -3.783 0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.834 -3.294 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.299 -2.975 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.680 -4.057 -0.075 1.00 0.00 H new ATOM 289 N TYR A 20 -5.559 -7.639 -0.277 1.00 0.00 N ATOM 290 CA TYR A 20 -5.464 -9.079 -0.049 1.00 0.00 C ATOM 291 C TYR A 20 -5.110 -9.374 1.408 1.00 0.00 C ATOM 292 O TYR A 20 -4.277 -8.692 2.003 1.00 0.00 O ATOM 293 CB TYR A 20 -4.397 -9.694 -0.963 1.00 0.00 C ATOM 294 CG TYR A 20 -4.915 -10.102 -2.326 1.00 0.00 C ATOM 295 CD1 TYR A 20 -5.187 -9.150 -3.300 1.00 0.00 C ATOM 296 CD2 TYR A 20 -5.128 -11.439 -2.638 1.00 0.00 C ATOM 297 CE1 TYR A 20 -5.658 -9.518 -4.546 1.00 0.00 C ATOM 298 CE2 TYR A 20 -5.600 -11.814 -3.883 1.00 0.00 C ATOM 299 CZ TYR A 20 -5.864 -10.850 -4.832 1.00 0.00 C ATOM 300 OH TYR A 20 -6.338 -11.220 -6.071 1.00 0.00 O ATOM 0 H TYR A 20 -4.746 -7.113 0.043 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.435 -9.520 -0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.587 -8.976 -1.093 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.972 -10.568 -0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.028 -8.105 -3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.922 -12.197 -1.897 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.864 -8.765 -5.292 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.761 -12.857 -4.110 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.270 -10.933 -6.164 1.00 0.00 H new ATOM 310 N ARG A 21 -5.736 -10.403 1.975 1.00 0.00 N ATOM 311 CA ARG A 21 -5.470 -10.794 3.356 1.00 0.00 C ATOM 312 C ARG A 21 -4.850 -12.188 3.397 1.00 0.00 C ATOM 313 O ARG A 21 -5.262 -13.081 2.656 1.00 0.00 O ATOM 314 CB ARG A 21 -6.763 -10.759 4.191 1.00 0.00 C ATOM 315 CG ARG A 21 -7.611 -12.013 4.055 1.00 0.00 C ATOM 316 CD ARG A 21 -8.885 -11.953 4.885 1.00 0.00 C ATOM 317 NE ARG A 21 -10.001 -11.360 4.143 1.00 0.00 N ATOM 318 CZ ARG A 21 -11.253 -11.818 4.182 1.00 0.00 C ATOM 319 NH1 ARG A 21 -11.560 -12.892 4.902 1.00 0.00 N ATOM 320 NH2 ARG A 21 -12.206 -11.202 3.496 1.00 0.00 N ATOM 0 H ARG A 21 -6.430 -10.980 1.500 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.766 -10.082 3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.504 -10.618 5.240 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.356 -9.895 3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.872 -12.158 3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.024 -12.879 4.361 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.157 -12.959 5.204 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.701 -11.371 5.788 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.808 -10.546 3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.835 -13.375 5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.521 -13.233 4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.982 -10.378 2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.163 -11.552 3.526 1.00 0.00 H new ATOM 334 N ILE A 22 -3.860 -12.368 4.263 1.00 0.00 N ATOM 335 CA ILE A 22 -3.188 -13.656 4.394 1.00 0.00 C ATOM 336 C ILE A 22 -3.493 -14.287 5.748 1.00 0.00 C ATOM 337 O ILE A 22 -2.696 -14.186 6.680 1.00 0.00 O ATOM 338 CB ILE A 22 -1.659 -13.519 4.229 1.00 0.00 C ATOM 339 CG1 ILE A 22 -1.322 -12.494 3.142 1.00 0.00 C ATOM 340 CG2 ILE A 22 -1.040 -14.869 3.899 1.00 0.00 C ATOM 341 CD1 ILE A 22 -1.998 -12.771 1.815 1.00 0.00 C ATOM 0 H ILE A 22 -3.505 -11.641 4.884 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.567 -14.298 3.599 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.241 -13.166 5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.612 -11.502 3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.242 -12.477 2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.038 -14.757 3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.249 -15.572 4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.465 -15.247 2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.713 -12.005 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.689 -13.749 1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.080 -12.759 1.948 1.00 0.00 H new ATOM 353 N PRO A 23 -4.662 -14.945 5.881 1.00 0.00 N ATOM 354 CA PRO A 23 -5.074 -15.583 7.129 1.00 0.00 C ATOM 355 C PRO A 23 -3.939 -16.364 7.789 1.00 0.00 C ATOM 356 O PRO A 23 -3.157 -17.030 7.111 1.00 0.00 O ATOM 357 CB PRO A 23 -6.205 -16.537 6.706 1.00 0.00 C ATOM 358 CG PRO A 23 -6.325 -16.415 5.218 1.00 0.00 C ATOM 359 CD PRO A 23 -5.681 -15.113 4.839 1.00 0.00 C ATOM 0 HA PRO A 23 -5.382 -14.845 7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.976 -17.563 6.995 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.142 -16.270 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.832 -17.250 4.720 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.371 -16.433 4.911 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.240 -15.154 3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.398 -14.292 4.837 1.00 0.00 H new ATOM 367 N PRO A 24 -3.836 -16.295 9.127 1.00 0.00 N ATOM 368 CA PRO A 24 -2.792 -17.003 9.874 1.00 0.00 C ATOM 369 C PRO A 24 -2.965 -18.515 9.807 1.00 0.00 C ATOM 370 O PRO A 24 -3.784 -19.089 10.526 1.00 0.00 O ATOM 371 CB PRO A 24 -2.976 -16.508 11.311 1.00 0.00 C ATOM 372 CG PRO A 24 -4.393 -16.058 11.382 1.00 0.00 C ATOM 373 CD PRO A 24 -4.727 -15.527 10.017 1.00 0.00 C ATOM 0 HA PRO A 24 -1.799 -16.807 9.470 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.777 -17.302 12.031 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.290 -15.692 11.539 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.052 -16.884 11.652 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.520 -15.287 12.142 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.777 -15.685 9.770 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.541 -14.455 9.946 1.00 0.00 H new ATOM 381 N ARG A 25 -2.188 -19.156 8.940 1.00 0.00 N ATOM 382 CA ARG A 25 -2.252 -20.606 8.784 1.00 0.00 C ATOM 383 C ARG A 25 -0.887 -21.178 8.410 1.00 0.00 C ATOM 384 O ARG A 25 -0.210 -21.779 9.244 1.00 0.00 O ATOM 385 CB ARG A 25 -3.297 -20.994 7.730 1.00 0.00 C ATOM 386 CG ARG A 25 -3.468 -19.981 6.607 1.00 0.00 C ATOM 387 CD ARG A 25 -3.813 -20.667 5.295 1.00 0.00 C ATOM 388 NE ARG A 25 -3.216 -19.996 4.141 1.00 0.00 N ATOM 389 CZ ARG A 25 -2.002 -20.269 3.666 1.00 0.00 C ATOM 390 NH1 ARG A 25 -1.233 -21.175 4.257 1.00 0.00 N ATOM 391 NH2 ARG A 25 -1.555 -19.628 2.595 1.00 0.00 N ATOM 0 H ARG A 25 -1.508 -18.696 8.335 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.550 -21.031 9.742 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.018 -21.954 7.296 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.258 -21.135 8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.255 -19.274 6.868 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.549 -19.406 6.489 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.470 -21.701 5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.896 -20.694 5.176 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.763 -19.275 3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.570 -21.670 5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.305 -21.377 3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.140 -18.929 2.138 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.626 -19.834 2.228 1.00 0.00 H new ATOM 405 N ALA A 26 -0.483 -20.985 7.158 1.00 0.00 N ATOM 406 CA ALA A 26 0.805 -21.481 6.685 1.00 0.00 C ATOM 407 C ALA A 26 1.500 -20.443 5.814 1.00 0.00 C ATOM 408 O ALA A 26 1.254 -20.362 4.609 1.00 0.00 O ATOM 409 CB ALA A 26 0.627 -22.787 5.921 1.00 0.00 C ATOM 0 H ALA A 26 -1.029 -20.489 6.453 1.00 0.00 H new ATOM 0 HA ALA A 26 1.435 -21.672 7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.598 -23.142 5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.180 -23.534 6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.024 -22.621 5.063 1.00 0.00 H new ATOM 415 N SER A 27 2.367 -19.648 6.430 1.00 0.00 N ATOM 416 CA SER A 27 3.097 -18.611 5.714 1.00 0.00 C ATOM 417 C SER A 27 4.457 -18.360 6.361 1.00 0.00 C ATOM 418 O SER A 27 4.539 -17.877 7.490 1.00 0.00 O ATOM 419 CB SER A 27 2.281 -17.317 5.687 1.00 0.00 C ATOM 420 OG SER A 27 1.638 -17.145 4.435 1.00 0.00 O ATOM 0 H SER A 27 2.581 -19.703 7.426 1.00 0.00 H new ATOM 0 HA SER A 27 3.261 -18.951 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.536 -17.337 6.482 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.935 -16.467 5.883 1.00 0.00 H new ATOM 0 HG SER A 27 1.333 -18.015 4.102 1.00 0.00 H new ATOM 426 N ASN A 28 5.522 -18.701 5.643 1.00 0.00 N ATOM 427 CA ASN A 28 6.879 -18.519 6.156 1.00 0.00 C ATOM 428 C ASN A 28 7.291 -17.043 6.133 1.00 0.00 C ATOM 429 O ASN A 28 7.090 -16.323 7.111 1.00 0.00 O ATOM 430 CB ASN A 28 7.878 -19.374 5.359 1.00 0.00 C ATOM 431 CG ASN A 28 7.553 -19.442 3.876 1.00 0.00 C ATOM 432 OD1 ASN A 28 7.464 -18.416 3.202 1.00 0.00 O ATOM 433 ND2 ASN A 28 7.374 -20.653 3.362 1.00 0.00 N ATOM 0 H ASN A 28 5.474 -19.104 4.707 1.00 0.00 H new ATOM 0 HA ASN A 28 6.890 -18.851 7.194 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.880 -18.965 5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.891 -20.384 5.769 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.153 -20.759 2.372 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.457 -21.477 3.957 1.00 0.00 H new ATOM 440 N ARG A 29 7.867 -16.596 5.019 1.00 0.00 N ATOM 441 CA ARG A 29 8.305 -15.209 4.879 1.00 0.00 C ATOM 442 C ARG A 29 8.646 -14.896 3.424 1.00 0.00 C ATOM 443 O ARG A 29 8.382 -13.797 2.936 1.00 0.00 O ATOM 444 CB ARG A 29 9.517 -14.939 5.772 1.00 0.00 C ATOM 445 CG ARG A 29 9.754 -13.461 6.045 1.00 0.00 C ATOM 446 CD ARG A 29 9.380 -13.091 7.472 1.00 0.00 C ATOM 447 NE ARG A 29 7.988 -13.419 7.776 1.00 0.00 N ATOM 448 CZ ARG A 29 7.602 -14.134 8.831 1.00 0.00 C ATOM 449 NH1 ARG A 29 8.496 -14.593 9.700 1.00 0.00 N ATOM 450 NH2 ARG A 29 6.315 -14.389 9.022 1.00 0.00 N ATOM 0 H ARG A 29 8.042 -17.176 4.198 1.00 0.00 H new ATOM 0 HA ARG A 29 7.487 -14.560 5.191 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.382 -15.458 6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.406 -15.360 5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.802 -13.221 5.869 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.168 -12.863 5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.036 -13.616 8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.543 -12.024 7.624 1.00 0.00 H new ATOM 0 HE ARG A 29 7.267 -13.079 7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.488 -14.399 9.562 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.191 -15.140 10.505 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.622 -14.038 8.361 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.018 -14.937 9.830 1.00 0.00 H new ATOM 464 N GLY A 30 9.232 -15.873 2.737 1.00 0.00 N ATOM 465 CA GLY A 30 9.597 -15.691 1.345 1.00 0.00 C ATOM 466 C GLY A 30 8.936 -16.715 0.442 1.00 0.00 C ATOM 467 O GLY A 30 8.783 -17.877 0.819 1.00 0.00 O ATOM 0 H GLY A 30 9.461 -16.789 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.313 -14.689 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.680 -15.763 1.242 1.00 0.00 H new ATOM 471 N TYR A 31 8.534 -16.283 -0.751 1.00 0.00 N ATOM 472 CA TYR A 31 7.877 -17.175 -1.702 1.00 0.00 C ATOM 473 C TYR A 31 7.818 -16.535 -3.093 1.00 0.00 C ATOM 474 O TYR A 31 8.516 -15.557 -3.358 1.00 0.00 O ATOM 475 CB TYR A 31 6.476 -17.525 -1.197 1.00 0.00 C ATOM 476 CG TYR A 31 5.882 -18.750 -1.849 1.00 0.00 C ATOM 477 CD1 TYR A 31 6.586 -19.944 -1.902 1.00 0.00 C ATOM 478 CD2 TYR A 31 4.623 -18.708 -2.420 1.00 0.00 C ATOM 479 CE1 TYR A 31 6.048 -21.064 -2.507 1.00 0.00 C ATOM 480 CE2 TYR A 31 4.076 -19.822 -3.025 1.00 0.00 C ATOM 481 CZ TYR A 31 4.791 -20.998 -3.068 1.00 0.00 C ATOM 482 OH TYR A 31 4.244 -22.110 -3.671 1.00 0.00 O ATOM 0 H TYR A 31 8.651 -15.325 -1.081 1.00 0.00 H new ATOM 0 HA TYR A 31 8.457 -18.094 -1.787 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.517 -17.682 -0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.815 -16.676 -1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.571 -19.999 -1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.058 -17.788 -2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.610 -21.986 -2.540 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.090 -19.771 -3.463 1.00 0.00 H new ATOM 0 HH TYR A 31 3.352 -21.891 -4.014 1.00 0.00 H new ATOM 492 N ARG A 32 7.002 -17.095 -3.984 1.00 0.00 N ATOM 493 CA ARG A 32 6.891 -16.570 -5.340 1.00 0.00 C ATOM 494 C ARG A 32 5.504 -16.819 -5.933 1.00 0.00 C ATOM 495 O ARG A 32 4.918 -17.891 -5.767 1.00 0.00 O ATOM 496 CB ARG A 32 7.958 -17.212 -6.231 1.00 0.00 C ATOM 497 CG ARG A 32 7.989 -18.733 -6.151 1.00 0.00 C ATOM 498 CD ARG A 32 9.343 -19.247 -5.681 1.00 0.00 C ATOM 499 NE ARG A 32 9.880 -20.271 -6.575 1.00 0.00 N ATOM 500 CZ ARG A 32 9.609 -21.570 -6.465 1.00 0.00 C ATOM 501 NH1 ARG A 32 8.797 -22.009 -5.512 1.00 0.00 N ATOM 502 NH2 ARG A 32 10.150 -22.432 -7.316 1.00 0.00 N ATOM 0 H ARG A 32 6.413 -17.905 -3.792 1.00 0.00 H new ATOM 0 HA ARG A 32 7.045 -15.492 -5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.782 -16.915 -7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.936 -16.822 -5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.213 -19.077 -5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.761 -19.153 -7.130 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.045 -18.415 -5.619 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.246 -19.658 -4.676 1.00 0.00 H new ATOM 0 HE ARG A 32 10.500 -19.973 -7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.376 -21.350 -4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.594 -23.006 -5.434 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.772 -22.099 -8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.944 -23.428 -7.234 1.00 0.00 H new ATOM 516 N ALA A 33 4.986 -15.813 -6.637 1.00 0.00 N ATOM 517 CA ALA A 33 3.672 -15.912 -7.268 1.00 0.00 C ATOM 518 C ALA A 33 3.651 -16.955 -8.387 1.00 0.00 C ATOM 519 O ALA A 33 2.622 -17.154 -9.032 1.00 0.00 O ATOM 520 CB ALA A 33 3.235 -14.556 -7.797 1.00 0.00 C ATOM 0 H ALA A 33 5.457 -14.920 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 33 2.967 -16.240 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.254 -14.647 -8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.180 -13.844 -6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.957 -14.203 -8.534 1.00 0.00 H new ATOM 526 N SER A 34 4.778 -17.630 -8.609 1.00 0.00 N ATOM 527 CA SER A 34 4.857 -18.658 -9.640 1.00 0.00 C ATOM 528 C SER A 34 3.914 -19.804 -9.311 1.00 0.00 C ATOM 529 O SER A 34 3.358 -20.445 -10.202 1.00 0.00 O ATOM 530 CB SER A 34 6.289 -19.183 -9.768 1.00 0.00 C ATOM 531 OG SER A 34 6.850 -18.836 -11.023 1.00 0.00 O ATOM 0 H SER A 34 5.644 -17.483 -8.090 1.00 0.00 H new ATOM 0 HA SER A 34 4.561 -18.214 -10.591 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.903 -18.773 -8.966 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.294 -20.267 -9.651 1.00 0.00 H new ATOM 0 HG SER A 34 7.474 -18.089 -10.907 1.00 0.00 H new ATOM 537 N ASP A 35 3.738 -20.054 -8.018 1.00 0.00 N ATOM 538 CA ASP A 35 2.865 -21.123 -7.563 1.00 0.00 C ATOM 539 C ASP A 35 2.064 -20.715 -6.324 1.00 0.00 C ATOM 540 O ASP A 35 1.415 -21.555 -5.701 1.00 0.00 O ATOM 541 CB ASP A 35 3.684 -22.381 -7.257 1.00 0.00 C ATOM 542 CG ASP A 35 2.868 -23.650 -7.397 1.00 0.00 C ATOM 543 OD1 ASP A 35 1.849 -23.784 -6.687 1.00 0.00 O ATOM 544 OD2 ASP A 35 3.246 -24.512 -8.220 1.00 0.00 O ATOM 0 H ASP A 35 4.189 -19.529 -7.269 1.00 0.00 H new ATOM 0 HA ASP A 35 2.159 -21.332 -8.366 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.540 -22.427 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.079 -22.316 -6.243 1.00 0.00 H new ATOM 549 N TRP A 36 2.102 -19.431 -5.965 1.00 0.00 N ATOM 550 CA TRP A 36 1.363 -18.958 -4.798 1.00 0.00 C ATOM 551 C TRP A 36 -0.127 -18.875 -5.099 1.00 0.00 C ATOM 552 O TRP A 36 -0.933 -19.551 -4.459 1.00 0.00 O ATOM 553 CB TRP A 36 1.911 -17.598 -4.337 1.00 0.00 C ATOM 554 CG TRP A 36 0.933 -16.751 -3.573 1.00 0.00 C ATOM 555 CD1 TRP A 36 0.496 -16.957 -2.296 1.00 0.00 C ATOM 556 CD2 TRP A 36 0.279 -15.560 -4.033 1.00 0.00 C ATOM 557 NE1 TRP A 36 -0.391 -15.971 -1.935 1.00 0.00 N ATOM 558 CE2 TRP A 36 -0.539 -15.102 -2.983 1.00 0.00 C ATOM 559 CE3 TRP A 36 0.305 -14.837 -5.231 1.00 0.00 C ATOM 560 CZ2 TRP A 36 -1.322 -13.955 -3.094 1.00 0.00 C ATOM 561 CZ3 TRP A 36 -0.473 -13.698 -5.338 1.00 0.00 C ATOM 562 CH2 TRP A 36 -1.277 -13.267 -4.275 1.00 0.00 C ATOM 0 H TRP A 36 2.629 -18.711 -6.458 1.00 0.00 H new ATOM 0 HA TRP A 36 1.498 -19.674 -3.987 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.788 -17.768 -3.713 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.246 -17.041 -5.212 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.803 -17.776 -1.662 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.862 -15.898 -1.033 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.921 -15.162 -6.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.943 -13.621 -2.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.460 -13.131 -6.257 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.873 -12.374 -4.390 1.00 0.00 H new ATOM 573 N LYS A 37 -0.492 -18.051 -6.071 1.00 0.00 N ATOM 574 CA LYS A 37 -1.890 -17.896 -6.439 1.00 0.00 C ATOM 575 C LYS A 37 -2.723 -17.518 -5.223 1.00 0.00 C ATOM 576 O LYS A 37 -2.231 -17.515 -4.094 1.00 0.00 O ATOM 577 CB LYS A 37 -2.427 -19.191 -7.049 1.00 0.00 C ATOM 578 CG LYS A 37 -2.005 -19.405 -8.491 1.00 0.00 C ATOM 579 CD LYS A 37 -3.061 -20.173 -9.269 1.00 0.00 C ATOM 580 CE LYS A 37 -4.346 -19.371 -9.410 1.00 0.00 C ATOM 581 NZ LYS A 37 -5.261 -19.964 -10.422 1.00 0.00 N ATOM 0 H LYS A 37 0.157 -17.483 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.961 -17.098 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.084 -20.034 -6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.516 -19.184 -6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.829 -18.440 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.062 -19.951 -8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.676 -20.422 -10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.273 -21.115 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.852 -19.324 -8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.105 -18.347 -9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.125 -19.389 -10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.787 -19.986 -11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.511 -20.933 -10.138 1.00 0.00 H new ATOM 595 N LEU A 38 -3.980 -17.188 -5.457 1.00 0.00 N ATOM 596 CA LEU A 38 -4.869 -16.799 -4.381 1.00 0.00 C ATOM 597 C LEU A 38 -6.282 -16.594 -4.909 1.00 0.00 C ATOM 598 O LEU A 38 -6.487 -15.956 -5.941 1.00 0.00 O ATOM 599 CB LEU A 38 -4.350 -15.521 -3.716 1.00 0.00 C ATOM 600 CG LEU A 38 -5.048 -15.138 -2.415 1.00 0.00 C ATOM 601 CD1 LEU A 38 -6.486 -14.736 -2.685 1.00 0.00 C ATOM 602 CD2 LEU A 38 -4.990 -16.291 -1.423 1.00 0.00 C ATOM 0 H LEU A 38 -4.407 -17.182 -6.383 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.897 -17.595 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.285 -15.640 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.452 -14.696 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.529 -14.284 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.970 -14.466 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.504 -13.882 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.018 -15.571 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.492 -16.002 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.487 -17.163 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.949 -16.535 -1.209 1.00 0.00 H new ATOM 614 N ASP A 39 -7.252 -17.153 -4.196 1.00 0.00 N ATOM 615 CA ASP A 39 -8.650 -17.052 -4.587 1.00 0.00 C ATOM 616 C ASP A 39 -9.568 -17.194 -3.372 1.00 0.00 C ATOM 617 O ASP A 39 -10.286 -18.184 -3.235 1.00 0.00 O ATOM 618 CB ASP A 39 -8.981 -18.132 -5.617 1.00 0.00 C ATOM 619 CG ASP A 39 -10.304 -17.879 -6.311 1.00 0.00 C ATOM 620 OD1 ASP A 39 -11.264 -17.468 -5.625 1.00 0.00 O ATOM 621 OD2 ASP A 39 -10.379 -18.089 -7.539 1.00 0.00 O ATOM 0 H ASP A 39 -7.093 -17.684 -3.339 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.813 -16.069 -5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.186 -18.177 -6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.012 -19.104 -5.124 1.00 0.00 H new ATOM 626 N GLN A 40 -9.547 -16.190 -2.502 1.00 0.00 N ATOM 627 CA GLN A 40 -10.384 -16.187 -1.308 1.00 0.00 C ATOM 628 C GLN A 40 -10.634 -14.753 -0.839 1.00 0.00 C ATOM 629 O GLN A 40 -11.738 -14.230 -0.990 1.00 0.00 O ATOM 630 CB GLN A 40 -9.738 -17.015 -0.191 1.00 0.00 C ATOM 631 CG GLN A 40 -10.250 -18.443 -0.118 1.00 0.00 C ATOM 632 CD GLN A 40 -11.495 -18.572 0.737 1.00 0.00 C ATOM 633 OE1 GLN A 40 -11.918 -17.615 1.386 1.00 0.00 O ATOM 634 NE2 GLN A 40 -12.087 -19.760 0.742 1.00 0.00 N ATOM 0 H GLN A 40 -8.957 -15.364 -2.602 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.342 -16.643 -1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.659 -17.032 -0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.919 -16.524 0.765 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.467 -18.799 -1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.468 -19.085 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.701 -20.525 0.188 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.928 -19.908 1.299 1.00 0.00 H new ATOM 643 N PRO A 41 -9.615 -14.093 -0.260 1.00 0.00 N ATOM 644 CA PRO A 41 -9.744 -12.713 0.228 1.00 0.00 C ATOM 645 C PRO A 41 -9.952 -11.696 -0.904 1.00 0.00 C ATOM 646 O PRO A 41 -11.037 -11.625 -1.480 1.00 0.00 O ATOM 647 CB PRO A 41 -8.419 -12.490 0.956 1.00 0.00 C ATOM 648 CG PRO A 41 -7.465 -13.388 0.259 1.00 0.00 C ATOM 649 CD PRO A 41 -8.258 -14.627 -0.022 1.00 0.00 C ATOM 0 HA PRO A 41 -10.620 -12.573 0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.102 -11.449 0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.499 -12.739 2.014 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.094 -12.936 -0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.596 -13.605 0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.876 -15.165 -0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.237 -15.321 0.818 1.00 0.00 H new ATOM 657 N ASP A 42 -8.926 -10.899 -1.219 1.00 0.00 N ATOM 658 CA ASP A 42 -9.040 -9.897 -2.271 1.00 0.00 C ATOM 659 C ASP A 42 -10.278 -9.021 -2.057 1.00 0.00 C ATOM 660 O ASP A 42 -11.176 -8.982 -2.897 1.00 0.00 O ATOM 661 CB ASP A 42 -9.098 -10.572 -3.643 1.00 0.00 C ATOM 662 CG ASP A 42 -8.859 -9.593 -4.775 1.00 0.00 C ATOM 663 OD1 ASP A 42 -8.526 -8.424 -4.487 1.00 0.00 O ATOM 664 OD2 ASP A 42 -9.003 -9.996 -5.948 1.00 0.00 O ATOM 0 H ASP A 42 -8.015 -10.931 -0.761 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.158 -9.258 -2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.351 -11.365 -3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.072 -11.044 -3.773 1.00 0.00 H new ATOM 669 N TRP A 43 -10.319 -8.324 -0.921 1.00 0.00 N ATOM 670 CA TRP A 43 -11.454 -7.457 -0.601 1.00 0.00 C ATOM 671 C TRP A 43 -11.384 -6.135 -1.365 1.00 0.00 C ATOM 672 O TRP A 43 -10.320 -5.738 -1.843 1.00 0.00 O ATOM 673 CB TRP A 43 -11.560 -7.200 0.913 1.00 0.00 C ATOM 674 CG TRP A 43 -10.252 -7.031 1.625 1.00 0.00 C ATOM 675 CD1 TRP A 43 -9.338 -8.003 1.908 1.00 0.00 C ATOM 676 CD2 TRP A 43 -9.730 -5.816 2.176 1.00 0.00 C ATOM 677 NE1 TRP A 43 -8.272 -7.467 2.584 1.00 0.00 N ATOM 678 CE2 TRP A 43 -8.490 -6.128 2.763 1.00 0.00 C ATOM 679 CE3 TRP A 43 -10.184 -4.493 2.223 1.00 0.00 C ATOM 680 CZ2 TRP A 43 -7.701 -5.172 3.389 1.00 0.00 C ATOM 681 CZ3 TRP A 43 -9.398 -3.543 2.849 1.00 0.00 C ATOM 682 CH2 TRP A 43 -8.167 -3.890 3.422 1.00 0.00 C ATOM 0 H TRP A 43 -9.586 -8.342 -0.212 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.354 -7.983 -0.918 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -12.160 -6.304 1.072 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -12.099 -8.030 1.369 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.439 -9.044 1.639 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.451 -7.982 2.901 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.130 -4.219 1.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.752 -5.434 3.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.738 -2.519 2.897 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.574 -3.125 3.901 1.00 0.00 H new ATOM 693 N THR A 44 -12.530 -5.465 -1.481 1.00 0.00 N ATOM 694 CA THR A 44 -12.611 -4.191 -2.193 1.00 0.00 C ATOM 695 C THR A 44 -12.857 -3.025 -1.230 1.00 0.00 C ATOM 696 O THR A 44 -13.780 -3.069 -0.415 1.00 0.00 O ATOM 697 CB THR A 44 -13.726 -4.245 -3.245 1.00 0.00 C ATOM 698 OG1 THR A 44 -14.149 -5.580 -3.466 1.00 0.00 O ATOM 699 CG2 THR A 44 -13.318 -3.667 -4.584 1.00 0.00 C ATOM 0 H THR A 44 -13.416 -5.784 -1.090 1.00 0.00 H new ATOM 0 HA THR A 44 -11.654 -4.023 -2.687 1.00 0.00 H new ATOM 0 HB THR A 44 -14.533 -3.638 -2.835 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.861 -5.590 -4.139 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.154 -3.737 -5.280 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.037 -2.621 -4.459 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.469 -4.226 -4.978 1.00 0.00 H new ATOM 707 N GLY A 45 -12.025 -1.982 -1.326 1.00 0.00 N ATOM 708 CA GLY A 45 -12.174 -0.824 -0.453 1.00 0.00 C ATOM 709 C GLY A 45 -11.210 0.303 -0.801 1.00 0.00 C ATOM 710 O GLY A 45 -10.428 0.189 -1.744 1.00 0.00 O ATOM 0 H GLY A 45 -11.254 -1.920 -1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.197 -0.454 -0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.011 -1.130 0.580 1.00 0.00 H new ATOM 714 N ARG A 46 -11.265 1.395 -0.032 1.00 0.00 N ATOM 715 CA ARG A 46 -10.387 2.545 -0.266 1.00 0.00 C ATOM 716 C ARG A 46 -9.201 2.517 0.687 1.00 0.00 C ATOM 717 O ARG A 46 -9.368 2.352 1.896 1.00 0.00 O ATOM 718 CB ARG A 46 -11.149 3.865 -0.081 1.00 0.00 C ATOM 719 CG ARG A 46 -12.486 3.902 -0.792 1.00 0.00 C ATOM 720 CD ARG A 46 -13.235 5.206 -0.552 1.00 0.00 C ATOM 721 NE ARG A 46 -12.526 6.362 -1.089 1.00 0.00 N ATOM 722 CZ ARG A 46 -11.797 7.194 -0.348 1.00 0.00 C ATOM 723 NH1 ARG A 46 -11.664 6.987 0.957 1.00 0.00 N ATOM 724 NH2 ARG A 46 -11.194 8.231 -0.916 1.00 0.00 N ATOM 0 H ARG A 46 -11.905 1.506 0.754 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.029 2.481 -1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.309 4.036 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.531 4.685 -0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.329 3.768 -1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.098 3.067 -0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.222 5.144 -1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.388 5.342 0.519 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.593 6.544 -2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.121 6.188 1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.104 7.627 1.520 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.289 8.390 -1.919 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.635 8.869 -0.349 1.00 0.00 H new ATOM 738 N LEU A 47 -8.001 2.678 0.140 1.00 0.00 N ATOM 739 CA LEU A 47 -6.793 2.670 0.955 1.00 0.00 C ATOM 740 C LEU A 47 -6.036 3.977 0.803 1.00 0.00 C ATOM 741 O LEU A 47 -5.869 4.487 -0.305 1.00 0.00 O ATOM 742 CB LEU A 47 -5.886 1.497 0.580 1.00 0.00 C ATOM 743 CG LEU A 47 -6.350 0.131 1.096 1.00 0.00 C ATOM 744 CD1 LEU A 47 -6.717 -0.782 -0.064 1.00 0.00 C ATOM 745 CD2 LEU A 47 -5.275 -0.513 1.961 1.00 0.00 C ATOM 0 H LEU A 47 -7.840 2.815 -0.858 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.095 2.555 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.807 1.451 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.885 1.693 0.965 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.237 0.283 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.044 -1.747 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.523 -0.330 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.847 -0.924 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.626 -1.482 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.368 -0.649 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.061 0.131 2.814 1.00 0.00 H new ATOM 757 N ARG A 48 -5.584 4.514 1.925 1.00 0.00 N ATOM 758 CA ARG A 48 -4.849 5.766 1.920 1.00 0.00 C ATOM 759 C ARG A 48 -3.920 5.862 3.122 1.00 0.00 C ATOM 760 O ARG A 48 -4.199 5.305 4.183 1.00 0.00 O ATOM 761 CB ARG A 48 -5.819 6.946 1.927 1.00 0.00 C ATOM 762 CG ARG A 48 -6.916 6.845 2.976 1.00 0.00 C ATOM 763 CD ARG A 48 -8.270 7.239 2.405 1.00 0.00 C ATOM 764 NE ARG A 48 -8.588 8.646 2.652 1.00 0.00 N ATOM 765 CZ ARG A 48 -9.023 9.115 3.821 1.00 0.00 C ATOM 766 NH1 ARG A 48 -9.172 8.299 4.857 1.00 0.00 N ATOM 767 NH2 ARG A 48 -9.307 10.403 3.955 1.00 0.00 N ATOM 0 H ARG A 48 -5.714 4.102 2.849 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.245 5.796 1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.256 7.864 2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.280 7.029 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.963 5.825 3.358 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.674 7.490 3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.278 7.050 1.332 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.044 6.611 2.845 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.470 9.307 1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.953 7.307 4.761 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.505 8.663 5.749 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.193 11.036 3.163 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.640 10.761 4.850 1.00 0.00 H new ATOM 781 N ILE A 49 -2.820 6.584 2.953 1.00 0.00 N ATOM 782 CA ILE A 49 -1.862 6.767 4.029 1.00 0.00 C ATOM 783 C ILE A 49 -1.541 8.243 4.205 1.00 0.00 C ATOM 784 O ILE A 49 -1.644 9.030 3.263 1.00 0.00 O ATOM 785 CB ILE A 49 -0.573 5.959 3.788 1.00 0.00 C ATOM 786 CG1 ILE A 49 0.147 6.447 2.533 1.00 0.00 C ATOM 787 CG2 ILE A 49 -0.913 4.485 3.658 1.00 0.00 C ATOM 788 CD1 ILE A 49 1.642 6.217 2.559 1.00 0.00 C ATOM 0 H ILE A 49 -2.571 7.051 2.081 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.317 6.392 4.946 1.00 0.00 H new ATOM 0 HB ILE A 49 0.094 6.102 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.274 5.941 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.045 7.512 2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.000 3.915 3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.391 4.140 4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.593 4.341 2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.084 6.589 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.077 6.745 3.407 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.844 5.150 2.654 1.00 0.00 H new ATOM 800 N THR A 50 -1.176 8.615 5.420 1.00 0.00 N ATOM 801 CA THR A 50 -0.868 10.003 5.734 1.00 0.00 C ATOM 802 C THR A 50 0.008 10.090 6.979 1.00 0.00 C ATOM 803 O THR A 50 0.278 9.082 7.630 1.00 0.00 O ATOM 804 CB THR A 50 -2.168 10.785 5.959 1.00 0.00 C ATOM 805 OG1 THR A 50 -3.298 9.978 5.671 1.00 0.00 O ATOM 806 CG2 THR A 50 -2.278 12.042 5.118 1.00 0.00 C ATOM 0 H THR A 50 -1.085 7.974 6.208 1.00 0.00 H new ATOM 0 HA THR A 50 -0.324 10.437 4.895 1.00 0.00 H new ATOM 0 HB THR A 50 -2.143 11.075 7.009 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.821 10.392 4.953 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.223 12.541 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.452 12.712 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.238 11.777 4.061 1.00 0.00 H new ATOM 814 N SER A 51 0.441 11.301 7.308 1.00 0.00 N ATOM 815 CA SER A 51 1.278 11.519 8.482 1.00 0.00 C ATOM 816 C SER A 51 1.052 12.916 9.053 1.00 0.00 C ATOM 817 O SER A 51 1.147 13.913 8.337 1.00 0.00 O ATOM 818 CB SER A 51 2.756 11.321 8.136 1.00 0.00 C ATOM 819 OG SER A 51 2.934 11.095 6.749 1.00 0.00 O ATOM 0 H SER A 51 0.227 12.146 6.779 1.00 0.00 H new ATOM 0 HA SER A 51 0.998 10.786 9.238 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.324 12.201 8.439 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.153 10.476 8.698 1.00 0.00 H new ATOM 0 HG SER A 51 3.887 10.974 6.557 1.00 0.00 H new ATOM 825 N LYS A 52 0.750 12.982 10.349 1.00 0.00 N ATOM 826 CA LYS A 52 0.507 14.256 11.019 1.00 0.00 C ATOM 827 C LYS A 52 1.676 15.215 10.820 1.00 0.00 C ATOM 828 O LYS A 52 1.508 16.317 10.298 1.00 0.00 O ATOM 829 CB LYS A 52 0.272 14.029 12.514 1.00 0.00 C ATOM 830 CG LYS A 52 -0.605 15.090 13.161 1.00 0.00 C ATOM 831 CD LYS A 52 0.071 15.720 14.371 1.00 0.00 C ATOM 832 CE LYS A 52 0.037 17.238 14.304 1.00 0.00 C ATOM 833 NZ LYS A 52 -0.326 17.842 15.615 1.00 0.00 N ATOM 0 H LYS A 52 0.668 12.166 10.956 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.383 14.704 10.577 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.190 13.052 12.656 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.235 14.004 13.025 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.838 15.865 12.430 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.552 14.643 13.465 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.425 15.384 15.282 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.105 15.381 14.428 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.012 17.610 13.990 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.682 17.552 13.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.338 18.878 15.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.268 17.507 15.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.374 17.563 16.332 1.00 0.00 H new ATOM 847 N GLY A 53 2.859 14.787 11.242 1.00 0.00 N ATOM 848 CA GLY A 53 4.041 15.617 11.104 1.00 0.00 C ATOM 849 C GLY A 53 5.311 14.880 11.479 1.00 0.00 C ATOM 850 O GLY A 53 6.183 14.668 10.636 1.00 0.00 O ATOM 0 H GLY A 53 3.022 13.879 11.678 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.118 15.967 10.075 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.937 16.500 11.734 1.00 0.00 H new ATOM 854 N LYS A 54 5.416 14.481 12.743 1.00 0.00 N ATOM 855 CA LYS A 54 6.592 13.756 13.217 1.00 0.00 C ATOM 856 C LYS A 54 6.342 12.245 13.242 1.00 0.00 C ATOM 857 O LYS A 54 7.260 11.459 13.481 1.00 0.00 O ATOM 858 CB LYS A 54 7.023 14.255 14.606 1.00 0.00 C ATOM 859 CG LYS A 54 5.909 14.280 15.646 1.00 0.00 C ATOM 860 CD LYS A 54 5.842 12.976 16.425 1.00 0.00 C ATOM 861 CE LYS A 54 4.415 12.461 16.521 1.00 0.00 C ATOM 862 NZ LYS A 54 4.105 11.894 17.863 1.00 0.00 N ATOM 0 H LYS A 54 4.705 14.646 13.455 1.00 0.00 H new ATOM 0 HA LYS A 54 7.403 13.951 12.515 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.829 13.619 14.972 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.431 15.261 14.506 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.072 15.108 16.335 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.954 14.459 15.153 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.469 12.228 15.940 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.244 13.128 17.427 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.723 13.275 16.305 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.256 11.696 15.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.121 11.556 17.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.747 11.100 18.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.230 12.629 18.588 1.00 0.00 H new ATOM 876 N ILE A 55 5.096 11.846 12.984 1.00 0.00 N ATOM 877 CA ILE A 55 4.715 10.435 12.968 1.00 0.00 C ATOM 878 C ILE A 55 3.986 10.084 11.679 1.00 0.00 C ATOM 879 O ILE A 55 3.615 10.966 10.906 1.00 0.00 O ATOM 880 CB ILE A 55 3.790 10.097 14.155 1.00 0.00 C ATOM 881 CG1 ILE A 55 3.707 8.590 14.385 1.00 0.00 C ATOM 882 CG2 ILE A 55 2.399 10.678 13.927 1.00 0.00 C ATOM 883 CD1 ILE A 55 3.252 8.228 15.780 1.00 0.00 C ATOM 0 H ILE A 55 4.329 12.487 12.782 1.00 0.00 H new ATOM 0 HA ILE A 55 5.635 9.855 13.043 1.00 0.00 H new ATOM 0 HB ILE A 55 4.218 10.548 15.051 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.019 8.155 13.660 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.685 8.146 14.202 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.758 10.431 14.773 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.469 11.761 13.829 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.974 10.258 13.015 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.213 7.143 15.880 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.953 8.635 16.509 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.261 8.644 15.959 1.00 0.00 H new ATOM 895 N ALA A 56 3.758 8.798 11.466 1.00 0.00 N ATOM 896 CA ALA A 56 3.045 8.344 10.289 1.00 0.00 C ATOM 897 C ALA A 56 2.075 7.236 10.650 1.00 0.00 C ATOM 898 O ALA A 56 2.335 6.426 11.540 1.00 0.00 O ATOM 899 CB ALA A 56 4.003 7.878 9.203 1.00 0.00 C ATOM 0 H ALA A 56 4.057 8.052 12.094 1.00 0.00 H new ATOM 0 HA ALA A 56 2.482 9.190 9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.434 7.544 8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.655 8.703 8.915 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.607 7.053 9.580 1.00 0.00 H new ATOM 905 N TYR A 57 0.957 7.208 9.953 1.00 0.00 N ATOM 906 CA TYR A 57 -0.062 6.202 10.189 1.00 0.00 C ATOM 907 C TYR A 57 -0.887 5.975 8.936 1.00 0.00 C ATOM 908 O TYR A 57 -1.047 6.873 8.110 1.00 0.00 O ATOM 909 CB TYR A 57 -0.966 6.609 11.357 1.00 0.00 C ATOM 910 CG TYR A 57 -1.888 7.781 11.070 1.00 0.00 C ATOM 911 CD1 TYR A 57 -1.549 8.760 10.142 1.00 0.00 C ATOM 912 CD2 TYR A 57 -3.100 7.908 11.739 1.00 0.00 C ATOM 913 CE1 TYR A 57 -2.388 9.825 9.890 1.00 0.00 C ATOM 914 CE2 TYR A 57 -3.944 8.973 11.490 1.00 0.00 C ATOM 915 CZ TYR A 57 -3.582 9.929 10.565 1.00 0.00 C ATOM 916 OH TYR A 57 -4.416 10.994 10.316 1.00 0.00 O ATOM 0 H TYR A 57 0.729 7.874 9.214 1.00 0.00 H new ATOM 0 HA TYR A 57 0.436 5.268 10.450 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.572 5.750 11.645 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.339 6.859 12.213 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.612 8.685 9.610 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.386 7.162 12.465 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.108 10.575 9.165 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.883 9.056 12.017 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.218 10.919 10.874 1.00 0.00 H new ATOM 926 N ILE A 58 -1.403 4.767 8.797 1.00 0.00 N ATOM 927 CA ILE A 58 -2.206 4.420 7.640 1.00 0.00 C ATOM 928 C ILE A 58 -3.678 4.341 8.010 1.00 0.00 C ATOM 929 O ILE A 58 -4.032 3.866 9.088 1.00 0.00 O ATOM 930 CB ILE A 58 -1.752 3.084 7.029 1.00 0.00 C ATOM 931 CG1 ILE A 58 -2.046 1.928 7.982 1.00 0.00 C ATOM 932 CG2 ILE A 58 -0.269 3.137 6.703 1.00 0.00 C ATOM 933 CD1 ILE A 58 -3.407 1.307 7.762 1.00 0.00 C ATOM 0 H ILE A 58 -1.280 4.011 9.471 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.068 5.206 6.898 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.310 2.917 6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.280 1.162 7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.979 2.286 9.009 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.043 2.186 6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.082 3.939 5.989 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.298 3.324 7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.554 0.492 8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.180 2.061 7.911 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.470 0.919 6.745 1.00 0.00 H new ATOM 945 N LYS A 59 -4.531 4.810 7.112 1.00 0.00 N ATOM 946 CA LYS A 59 -5.964 4.792 7.346 1.00 0.00 C ATOM 947 C LYS A 59 -6.678 4.049 6.228 1.00 0.00 C ATOM 948 O LYS A 59 -6.283 4.126 5.064 1.00 0.00 O ATOM 949 CB LYS A 59 -6.510 6.216 7.455 1.00 0.00 C ATOM 950 CG LYS A 59 -5.617 7.145 8.260 1.00 0.00 C ATOM 951 CD LYS A 59 -5.096 8.294 7.411 1.00 0.00 C ATOM 952 CE LYS A 59 -5.901 9.561 7.643 1.00 0.00 C ATOM 953 NZ LYS A 59 -5.049 10.779 7.584 1.00 0.00 N ATOM 0 H LYS A 59 -4.254 5.208 6.214 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.147 4.273 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.638 6.626 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.498 6.184 7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.175 7.542 9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.777 6.582 8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.048 8.478 7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.141 8.020 6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.689 9.633 6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.390 9.507 8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.636 11.602 7.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.602 10.935 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.312 10.653 6.861 1.00 0.00 H new ATOM 967 N LEU A 60 -7.726 3.326 6.590 1.00 0.00 N ATOM 968 CA LEU A 60 -8.493 2.563 5.620 1.00 0.00 C ATOM 969 C LEU A 60 -9.981 2.845 5.754 1.00 0.00 C ATOM 970 O LEU A 60 -10.439 3.366 6.771 1.00 0.00 O ATOM 971 CB LEU A 60 -8.228 1.071 5.803 1.00 0.00 C ATOM 972 CG LEU A 60 -7.115 0.505 4.923 1.00 0.00 C ATOM 973 CD1 LEU A 60 -5.789 0.503 5.671 1.00 0.00 C ATOM 974 CD2 LEU A 60 -7.469 -0.896 4.452 1.00 0.00 C ATOM 0 H LEU A 60 -8.065 3.252 7.549 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.177 2.867 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.975 0.887 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.148 0.525 5.596 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.010 1.144 4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.009 0.096 5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.530 1.523 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.877 -0.112 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.665 -1.284 3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.603 -1.547 5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.394 -0.863 3.876 1.00 0.00 H new ATOM 986 N GLU A 61 -10.728 2.492 4.718 1.00 0.00 N ATOM 987 CA GLU A 61 -12.168 2.697 4.706 1.00 0.00 C ATOM 988 C GLU A 61 -12.811 1.929 3.555 1.00 0.00 C ATOM 989 O GLU A 61 -12.116 1.361 2.713 1.00 0.00 O ATOM 990 CB GLU A 61 -12.493 4.189 4.595 1.00 0.00 C ATOM 991 CG GLU A 61 -13.630 4.628 5.503 1.00 0.00 C ATOM 992 CD GLU A 61 -13.967 6.100 5.358 1.00 0.00 C ATOM 993 OE1 GLU A 61 -14.398 6.505 4.257 1.00 0.00 O ATOM 994 OE2 GLU A 61 -13.804 6.847 6.345 1.00 0.00 O ATOM 0 H GLU A 61 -10.358 2.060 3.871 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.576 2.319 5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.601 4.767 4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.752 4.421 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.516 4.034 5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.361 4.422 6.539 1.00 0.00 H new ATOM 1001 N ASP A 62 -14.138 1.909 3.530 1.00 0.00 N ATOM 1002 CA ASP A 62 -14.878 1.203 2.488 1.00 0.00 C ATOM 1003 C ASP A 62 -14.787 1.932 1.145 1.00 0.00 C ATOM 1004 O ASP A 62 -14.632 3.153 1.101 1.00 0.00 O ATOM 1005 CB ASP A 62 -16.340 1.056 2.908 1.00 0.00 C ATOM 1006 CG ASP A 62 -17.140 0.221 1.932 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -17.467 0.734 0.844 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -17.435 -0.949 2.256 1.00 0.00 O ATOM 0 H ASP A 62 -14.726 2.375 4.221 1.00 0.00 H new ATOM 0 HA ASP A 62 -14.432 0.217 2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.387 0.599 3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.792 2.044 2.992 1.00 0.00 H new ATOM 1013 N LYS A 63 -14.880 1.171 0.050 1.00 0.00 N ATOM 1014 CA LYS A 63 -14.804 1.740 -1.298 1.00 0.00 C ATOM 1015 C LYS A 63 -15.922 2.741 -1.564 1.00 0.00 C ATOM 1016 O LYS A 63 -15.823 3.562 -2.476 1.00 0.00 O ATOM 1017 CB LYS A 63 -14.841 0.647 -2.360 1.00 0.00 C ATOM 1018 CG LYS A 63 -14.351 1.134 -3.714 1.00 0.00 C ATOM 1019 CD LYS A 63 -15.458 1.117 -4.751 1.00 0.00 C ATOM 1020 CE LYS A 63 -14.920 0.766 -6.129 1.00 0.00 C ATOM 1021 NZ LYS A 63 -14.547 1.980 -6.907 1.00 0.00 N ATOM 0 H LYS A 63 -15.008 0.159 0.071 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.852 2.267 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.226 -0.192 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.861 0.275 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.959 2.147 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.527 0.505 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.220 0.393 -4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.942 2.093 -4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.048 0.120 -6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.672 0.200 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.061 1.696 -7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.405 2.516 -7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.914 2.576 -6.337 1.00 0.00 H new ATOM 1035 N VAL A 64 -16.985 2.671 -0.776 1.00 0.00 N ATOM 1036 CA VAL A 64 -18.116 3.574 -0.947 1.00 0.00 C ATOM 1037 C VAL A 64 -17.906 4.884 -0.196 1.00 0.00 C ATOM 1038 O VAL A 64 -18.589 5.869 -0.467 1.00 0.00 O ATOM 1039 CB VAL A 64 -19.424 2.917 -0.473 1.00 0.00 C ATOM 1040 CG1 VAL A 64 -20.626 3.776 -0.842 1.00 0.00 C ATOM 1041 CG2 VAL A 64 -19.559 1.527 -1.075 1.00 0.00 C ATOM 0 H VAL A 64 -17.089 2.001 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 64 -18.190 3.791 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 64 -19.392 2.829 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -21.539 3.291 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -20.533 4.754 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -20.667 3.899 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -20.488 1.071 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -19.570 1.601 -2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -18.716 0.911 -0.762 1.00 0.00 H new ATOM 1051 N SER A 65 -16.957 4.878 0.750 1.00 0.00 N ATOM 1052 CA SER A 65 -16.629 6.055 1.565 1.00 0.00 C ATOM 1053 C SER A 65 -17.446 6.069 2.852 1.00 0.00 C ATOM 1054 O SER A 65 -18.524 6.661 2.915 1.00 0.00 O ATOM 1055 CB SER A 65 -16.827 7.369 0.794 1.00 0.00 C ATOM 1056 OG SER A 65 -15.685 7.673 0.012 1.00 0.00 O ATOM 0 H SER A 65 -16.395 4.056 0.972 1.00 0.00 H new ATOM 0 HA SER A 65 -15.571 5.980 1.818 1.00 0.00 H new ATOM 0 HB2 SER A 65 -17.703 7.289 0.150 1.00 0.00 H new ATOM 0 HB3 SER A 65 -17.020 8.181 1.495 1.00 0.00 H new ATOM 0 HG SER A 65 -15.834 8.512 -0.472 1.00 0.00 H new ATOM 1062 N GLY A 66 -16.921 5.403 3.874 1.00 0.00 N ATOM 1063 CA GLY A 66 -17.601 5.326 5.153 1.00 0.00 C ATOM 1064 C GLY A 66 -18.061 3.918 5.473 1.00 0.00 C ATOM 1065 O GLY A 66 -18.897 3.354 4.766 1.00 0.00 O ATOM 0 H GLY A 66 -16.028 4.911 3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.932 5.676 5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.462 5.995 5.146 1.00 0.00 H new ATOM 1069 N GLU A 67 -17.512 3.354 6.547 1.00 0.00 N ATOM 1070 CA GLU A 67 -17.858 2.002 6.980 1.00 0.00 C ATOM 1071 C GLU A 67 -17.035 1.603 8.216 1.00 0.00 C ATOM 1072 O GLU A 67 -16.944 2.372 9.173 1.00 0.00 O ATOM 1073 CB GLU A 67 -17.639 1.008 5.836 1.00 0.00 C ATOM 1074 CG GLU A 67 -18.424 -0.284 5.997 1.00 0.00 C ATOM 1075 CD GLU A 67 -19.535 -0.426 4.976 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -20.474 0.395 5.004 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -19.464 -1.359 4.148 1.00 0.00 O ATOM 0 H GLU A 67 -16.821 3.817 7.137 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.912 1.983 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.922 1.481 4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.577 0.773 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.744 -1.131 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.851 -0.322 6.999 1.00 0.00 H new ATOM 1084 N LEU A 68 -16.443 0.404 8.202 1.00 0.00 N ATOM 1085 CA LEU A 68 -15.646 -0.072 9.329 1.00 0.00 C ATOM 1086 C LEU A 68 -14.511 0.896 9.656 1.00 0.00 C ATOM 1087 O LEU A 68 -14.454 1.439 10.758 1.00 0.00 O ATOM 1088 CB LEU A 68 -15.076 -1.463 9.032 1.00 0.00 C ATOM 1089 CG LEU A 68 -16.107 -2.530 8.653 1.00 0.00 C ATOM 1090 CD1 LEU A 68 -15.443 -3.896 8.552 1.00 0.00 C ATOM 1091 CD2 LEU A 68 -17.247 -2.562 9.663 1.00 0.00 C ATOM 0 H LEU A 68 -16.503 -0.251 7.422 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.303 -0.132 10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -14.354 -1.375 8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.528 -1.807 9.909 1.00 0.00 H new ATOM 0 HG LEU A 68 -16.524 -2.274 7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -16.189 -4.644 8.282 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -14.665 -3.867 7.789 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -14.999 -4.157 9.513 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -17.968 -3.327 9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -16.851 -2.792 10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -17.740 -1.590 9.687 1.00 0.00 H new ATOM 1103 N PHE A 69 -13.608 1.103 8.697 1.00 0.00 N ATOM 1104 CA PHE A 69 -12.473 2.005 8.889 1.00 0.00 C ATOM 1105 C PHE A 69 -11.395 1.345 9.746 1.00 0.00 C ATOM 1106 O PHE A 69 -11.677 0.850 10.838 1.00 0.00 O ATOM 1107 CB PHE A 69 -12.932 3.317 9.533 1.00 0.00 C ATOM 1108 CG PHE A 69 -11.973 4.457 9.339 1.00 0.00 C ATOM 1109 CD1 PHE A 69 -10.722 4.441 9.934 1.00 0.00 C ATOM 1110 CD2 PHE A 69 -12.327 5.550 8.563 1.00 0.00 C ATOM 1111 CE1 PHE A 69 -9.843 5.493 9.757 1.00 0.00 C ATOM 1112 CE2 PHE A 69 -11.451 6.604 8.385 1.00 0.00 C ATOM 1113 CZ PHE A 69 -10.208 6.575 8.982 1.00 0.00 C ATOM 0 H PHE A 69 -13.641 0.658 7.780 1.00 0.00 H new ATOM 0 HA PHE A 69 -12.047 2.227 7.910 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -13.901 3.595 9.118 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -13.078 3.155 10.601 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.430 3.598 10.543 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -13.299 5.578 8.092 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.870 5.468 10.225 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.740 7.450 7.779 1.00 0.00 H new ATOM 0 HZ PHE A 69 -9.522 7.397 8.843 1.00 0.00 H new ATOM 1123 N ALA A 70 -10.163 1.338 9.246 1.00 0.00 N ATOM 1124 CA ALA A 70 -9.048 0.735 9.970 1.00 0.00 C ATOM 1125 C ALA A 70 -7.805 1.614 9.905 1.00 0.00 C ATOM 1126 O ALA A 70 -7.566 2.299 8.910 1.00 0.00 O ATOM 1127 CB ALA A 70 -8.745 -0.651 9.414 1.00 0.00 C ATOM 0 H ALA A 70 -9.911 1.742 8.344 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.338 0.642 11.016 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.911 -1.089 9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.624 -1.286 9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.482 -0.570 8.359 1.00 0.00 H new ATOM 1133 N GLN A 71 -7.010 1.589 10.973 1.00 0.00 N ATOM 1134 CA GLN A 71 -5.788 2.382 11.034 1.00 0.00 C ATOM 1135 C GLN A 71 -4.626 1.559 11.564 1.00 0.00 C ATOM 1136 O GLN A 71 -4.817 0.503 12.168 1.00 0.00 O ATOM 1137 CB GLN A 71 -5.976 3.604 11.931 1.00 0.00 C ATOM 1138 CG GLN A 71 -6.838 4.688 11.321 1.00 0.00 C ATOM 1139 CD GLN A 71 -7.602 5.469 12.370 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -8.848 5.078 12.607 1.00 0.00 O flip ATOM 1141 NE2 GLN A 71 -7.076 6.409 12.966 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.191 1.029 11.806 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.565 2.707 10.018 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.423 3.285 12.873 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.998 4.022 12.168 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.210 5.370 10.748 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.542 4.239 10.620 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.115 6.675 12.751 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.601 6.922 13.674 1.00 0.00 H new ATOM 1150 N ALA A 72 -3.421 2.065 11.350 1.00 0.00 N ATOM 1151 CA ALA A 72 -2.217 1.398 11.820 1.00 0.00 C ATOM 1152 C ALA A 72 -1.112 2.415 12.081 1.00 0.00 C ATOM 1153 O ALA A 72 -0.207 2.590 11.263 1.00 0.00 O ATOM 1154 CB ALA A 72 -1.764 0.344 10.819 1.00 0.00 C ATOM 0 H ALA A 72 -3.251 2.939 10.852 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.443 0.895 12.760 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.862 -0.144 11.188 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.552 -0.398 10.691 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.553 0.819 9.861 1.00 0.00 H new ATOM 1160 N PRO A 73 -1.179 3.109 13.233 1.00 0.00 N ATOM 1161 CA PRO A 73 -0.185 4.117 13.610 1.00 0.00 C ATOM 1162 C PRO A 73 1.183 3.499 13.855 1.00 0.00 C ATOM 1163 O PRO A 73 1.289 2.389 14.377 1.00 0.00 O ATOM 1164 CB PRO A 73 -0.748 4.715 14.904 1.00 0.00 C ATOM 1165 CG PRO A 73 -1.651 3.663 15.448 1.00 0.00 C ATOM 1166 CD PRO A 73 -2.231 2.962 14.254 1.00 0.00 C ATOM 0 HA PRO A 73 -0.031 4.857 12.824 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.049 4.955 15.608 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.291 5.640 14.709 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.102 2.966 16.082 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.437 4.102 16.063 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.443 1.914 14.466 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.168 3.418 13.935 1.00 0.00 H new ATOM 1174 N VAL A 74 2.229 4.210 13.460 1.00 0.00 N ATOM 1175 CA VAL A 74 3.582 3.712 13.626 1.00 0.00 C ATOM 1176 C VAL A 74 4.540 4.825 14.028 1.00 0.00 C ATOM 1177 O VAL A 74 4.228 6.004 13.887 1.00 0.00 O ATOM 1178 CB VAL A 74 4.078 3.040 12.331 1.00 0.00 C ATOM 1179 CG1 VAL A 74 3.125 1.927 11.923 1.00 0.00 C ATOM 1180 CG2 VAL A 74 4.224 4.064 11.212 1.00 0.00 C ATOM 0 H VAL A 74 2.165 5.130 13.024 1.00 0.00 H new ATOM 0 HA VAL A 74 3.560 2.973 14.426 1.00 0.00 H new ATOM 0 HB VAL A 74 5.060 2.606 12.518 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.484 1.458 11.007 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.075 1.182 12.717 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.132 2.343 11.753 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.575 3.567 10.308 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.258 4.531 11.018 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.943 4.828 11.509 1.00 0.00 H new ATOM 1190 N GLU A 75 5.707 4.443 14.529 1.00 0.00 N ATOM 1191 CA GLU A 75 6.708 5.413 14.957 1.00 0.00 C ATOM 1192 C GLU A 75 7.271 6.200 13.774 1.00 0.00 C ATOM 1193 O GLU A 75 7.996 7.176 13.964 1.00 0.00 O ATOM 1194 CB GLU A 75 7.847 4.707 15.694 1.00 0.00 C ATOM 1195 CG GLU A 75 8.461 5.544 16.804 1.00 0.00 C ATOM 1196 CD GLU A 75 7.599 5.582 18.050 1.00 0.00 C ATOM 1197 OE1 GLU A 75 6.394 5.264 17.948 1.00 0.00 O ATOM 1198 OE2 GLU A 75 8.125 5.930 19.127 1.00 0.00 O ATOM 0 H GLU A 75 5.985 3.469 14.649 1.00 0.00 H new ATOM 0 HA GLU A 75 6.218 6.116 15.630 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.473 3.775 16.117 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.624 4.442 14.977 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.442 5.142 17.057 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.617 6.561 16.443 1.00 0.00 H new ATOM 1205 N GLN A 76 6.930 5.790 12.553 1.00 0.00 N ATOM 1206 CA GLN A 76 7.409 6.479 11.358 1.00 0.00 C ATOM 1207 C GLN A 76 8.930 6.548 11.339 1.00 0.00 C ATOM 1208 O GLN A 76 9.521 7.577 11.661 1.00 0.00 O ATOM 1209 CB GLN A 76 6.826 7.891 11.282 1.00 0.00 C ATOM 1210 CG GLN A 76 7.315 8.689 10.080 1.00 0.00 C ATOM 1211 CD GLN A 76 7.813 10.072 10.452 1.00 0.00 C ATOM 1212 OE1 GLN A 76 7.531 11.051 9.761 1.00 0.00 O ATOM 1213 NE2 GLN A 76 8.560 10.163 11.547 1.00 0.00 N ATOM 0 H GLN A 76 6.327 4.989 12.367 1.00 0.00 H new ATOM 0 HA GLN A 76 7.077 5.909 10.490 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.739 7.825 11.245 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.082 8.430 12.194 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.118 8.140 9.588 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.504 8.783 9.358 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.770 9.327 12.092 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.923 11.069 11.843 1.00 0.00 H new ATOM 1222 N TYR A 77 9.557 5.446 10.956 1.00 0.00 N ATOM 1223 CA TYR A 77 11.012 5.384 10.889 1.00 0.00 C ATOM 1224 C TYR A 77 11.472 4.198 10.037 1.00 0.00 C ATOM 1225 O TYR A 77 12.126 4.383 9.010 1.00 0.00 O ATOM 1226 CB TYR A 77 11.607 5.313 12.302 1.00 0.00 C ATOM 1227 CG TYR A 77 13.036 5.794 12.384 1.00 0.00 C ATOM 1228 CD1 TYR A 77 14.003 5.302 11.517 1.00 0.00 C ATOM 1229 CD2 TYR A 77 13.419 6.736 13.330 1.00 0.00 C ATOM 1230 CE1 TYR A 77 15.312 5.735 11.591 1.00 0.00 C ATOM 1231 CE2 TYR A 77 14.727 7.176 13.410 1.00 0.00 C ATOM 1232 CZ TYR A 77 15.670 6.673 12.538 1.00 0.00 C ATOM 1233 OH TYR A 77 16.973 7.109 12.616 1.00 0.00 O ATOM 0 H TYR A 77 9.084 4.583 10.687 1.00 0.00 H new ATOM 0 HA TYR A 77 11.374 6.294 10.410 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.993 5.910 12.976 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.559 4.283 12.656 1.00 0.00 H new ATOM 0 HD1 TYR A 77 13.727 4.569 10.773 1.00 0.00 H new ATOM 0 HD2 TYR A 77 12.683 7.131 14.014 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.053 5.341 10.911 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.009 7.909 14.151 1.00 0.00 H new ATOM 0 HH TYR A 77 17.054 7.769 13.335 1.00 0.00 H new ATOM 1243 N PRO A 78 11.139 2.961 10.447 1.00 0.00 N ATOM 1244 CA PRO A 78 11.525 1.744 9.711 1.00 0.00 C ATOM 1245 C PRO A 78 10.753 1.565 8.404 1.00 0.00 C ATOM 1246 O PRO A 78 10.169 0.512 8.159 1.00 0.00 O ATOM 1247 CB PRO A 78 11.164 0.626 10.687 1.00 0.00 C ATOM 1248 CG PRO A 78 10.052 1.194 11.498 1.00 0.00 C ATOM 1249 CD PRO A 78 10.366 2.643 11.661 1.00 0.00 C ATOM 0 HA PRO A 78 12.574 1.768 9.415 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.853 -0.277 10.161 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.014 0.353 11.312 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.093 1.056 10.998 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.981 0.698 12.466 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.460 3.246 11.731 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.944 2.830 12.566 1.00 0.00 H new ATOM 1257 N GLY A 79 10.768 2.585 7.556 1.00 0.00 N ATOM 1258 CA GLY A 79 10.069 2.495 6.284 1.00 0.00 C ATOM 1259 C GLY A 79 10.723 1.509 5.334 1.00 0.00 C ATOM 1260 O GLY A 79 11.766 1.805 4.752 1.00 0.00 O ATOM 0 H GLY A 79 11.248 3.469 7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.036 2.195 6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.040 3.480 5.818 1.00 0.00 H new ATOM 1264 N ILE A 80 10.111 0.333 5.174 1.00 0.00 N ATOM 1265 CA ILE A 80 10.650 -0.692 4.288 1.00 0.00 C ATOM 1266 C ILE A 80 9.792 -1.967 4.314 1.00 0.00 C ATOM 1267 O ILE A 80 8.668 -1.957 4.812 1.00 0.00 O ATOM 1268 CB ILE A 80 12.123 -1.018 4.667 1.00 0.00 C ATOM 1269 CG1 ILE A 80 12.880 -1.716 3.520 1.00 0.00 C ATOM 1270 CG2 ILE A 80 12.186 -1.858 5.939 1.00 0.00 C ATOM 1271 CD1 ILE A 80 12.528 -1.221 2.129 1.00 0.00 C ATOM 0 H ILE A 80 9.246 0.071 5.646 1.00 0.00 H new ATOM 0 HA ILE A 80 10.628 -0.299 3.272 1.00 0.00 H new ATOM 0 HB ILE A 80 12.620 -0.066 4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 80 13.950 -1.584 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 80 12.680 -2.786 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 80 13.227 -2.072 6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.727 -1.309 6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.650 -2.794 5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 80 13.110 -1.770 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.465 -1.379 1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.755 -0.158 2.053 1.00 0.00 H new ATOM 1283 N ALA A 81 10.335 -3.053 3.763 1.00 0.00 N ATOM 1284 CA ALA A 81 9.652 -4.337 3.704 1.00 0.00 C ATOM 1285 C ALA A 81 8.573 -4.346 2.632 1.00 0.00 C ATOM 1286 O ALA A 81 7.390 -4.124 2.900 1.00 0.00 O ATOM 1287 CB ALA A 81 9.094 -4.738 5.060 1.00 0.00 C ATOM 0 H ALA A 81 11.265 -3.062 3.344 1.00 0.00 H new ATOM 0 HA ALA A 81 10.394 -5.085 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.591 -5.702 4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.908 -4.815 5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.381 -3.985 5.397 1.00 0.00 H new ATOM 1293 N VAL A 82 9.012 -4.619 1.412 1.00 0.00 N ATOM 1294 CA VAL A 82 8.134 -4.692 0.259 1.00 0.00 C ATOM 1295 C VAL A 82 8.645 -5.755 -0.696 1.00 0.00 C ATOM 1296 O VAL A 82 9.847 -5.849 -0.946 1.00 0.00 O ATOM 1297 CB VAL A 82 8.057 -3.353 -0.498 1.00 0.00 C ATOM 1298 CG1 VAL A 82 7.042 -3.436 -1.629 1.00 0.00 C ATOM 1299 CG2 VAL A 82 7.722 -2.211 0.449 1.00 0.00 C ATOM 0 H VAL A 82 9.993 -4.797 1.196 1.00 0.00 H new ATOM 0 HA VAL A 82 7.137 -4.937 0.624 1.00 0.00 H new ATOM 0 HB VAL A 82 9.036 -3.151 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.001 -2.481 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.338 -4.220 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.059 -3.667 -1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.674 -1.277 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.758 -2.401 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.494 -2.135 1.215 1.00 0.00 H new ATOM 1309 N GLU A 83 7.739 -6.555 -1.228 1.00 0.00 N ATOM 1310 CA GLU A 83 8.122 -7.603 -2.155 1.00 0.00 C ATOM 1311 C GLU A 83 7.234 -7.585 -3.381 1.00 0.00 C ATOM 1312 O GLU A 83 6.064 -7.208 -3.315 1.00 0.00 O ATOM 1313 CB GLU A 83 8.053 -8.973 -1.484 1.00 0.00 C ATOM 1314 CG GLU A 83 9.252 -9.849 -1.798 1.00 0.00 C ATOM 1315 CD GLU A 83 9.764 -10.597 -0.584 1.00 0.00 C ATOM 1316 OE1 GLU A 83 8.953 -11.271 0.084 1.00 0.00 O ATOM 1317 OE2 GLU A 83 10.978 -10.510 -0.304 1.00 0.00 O ATOM 0 H GLU A 83 6.739 -6.500 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 83 9.151 -7.416 -2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.981 -8.839 -0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.144 -9.483 -1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.980 -10.566 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.053 -9.230 -2.203 1.00 0.00 H new ATOM 1324 N THR A 84 7.795 -8.002 -4.499 1.00 0.00 N ATOM 1325 CA THR A 84 7.050 -8.043 -5.738 1.00 0.00 C ATOM 1326 C THR A 84 7.096 -9.431 -6.345 1.00 0.00 C ATOM 1327 O THR A 84 7.696 -10.354 -5.793 1.00 0.00 O ATOM 1328 CB THR A 84 7.600 -7.027 -6.740 1.00 0.00 C ATOM 1329 OG1 THR A 84 8.979 -6.796 -6.519 1.00 0.00 O ATOM 1330 CG2 THR A 84 6.893 -5.691 -6.689 1.00 0.00 C ATOM 0 H THR A 84 8.763 -8.316 -4.573 1.00 0.00 H new ATOM 0 HA THR A 84 6.015 -7.788 -5.510 1.00 0.00 H new ATOM 0 HB THR A 84 7.429 -7.471 -7.721 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.310 -6.145 -7.172 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.333 -5.018 -7.425 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.835 -5.830 -6.912 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.001 -5.260 -5.694 1.00 0.00 H new ATOM 1338 N VAL A 85 6.458 -9.553 -7.488 1.00 0.00 N ATOM 1339 CA VAL A 85 6.401 -10.809 -8.217 1.00 0.00 C ATOM 1340 C VAL A 85 7.774 -11.189 -8.765 1.00 0.00 C ATOM 1341 O VAL A 85 8.321 -10.500 -9.625 1.00 0.00 O ATOM 1342 CB VAL A 85 5.403 -10.712 -9.386 1.00 0.00 C ATOM 1343 CG1 VAL A 85 3.988 -10.934 -8.890 1.00 0.00 C ATOM 1344 CG2 VAL A 85 5.524 -9.361 -10.086 1.00 0.00 C ATOM 0 H VAL A 85 5.962 -8.786 -7.942 1.00 0.00 H new ATOM 0 HA VAL A 85 6.071 -11.578 -7.518 1.00 0.00 H new ATOM 0 HB VAL A 85 5.641 -11.491 -10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.294 -10.863 -9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.912 -11.923 -8.439 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.740 -10.176 -8.147 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.811 -9.312 -10.909 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.313 -8.562 -9.375 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.535 -9.242 -10.475 1.00 0.00 H new ATOM 1354 N THR A 86 8.324 -12.290 -8.258 1.00 0.00 N ATOM 1355 CA THR A 86 9.634 -12.767 -8.694 1.00 0.00 C ATOM 1356 C THR A 86 9.637 -13.114 -10.184 1.00 0.00 C ATOM 1357 O THR A 86 10.698 -13.318 -10.775 1.00 0.00 O ATOM 1358 CB THR A 86 10.050 -13.994 -7.872 1.00 0.00 C ATOM 1359 OG1 THR A 86 9.854 -13.767 -6.486 1.00 0.00 O ATOM 1360 CG2 THR A 86 11.500 -14.390 -8.067 1.00 0.00 C ATOM 0 H THR A 86 7.882 -12.869 -7.544 1.00 0.00 H new ATOM 0 HA THR A 86 10.351 -11.962 -8.533 1.00 0.00 H new ATOM 0 HB THR A 86 9.416 -14.803 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.124 -14.563 -5.983 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.724 -15.264 -7.456 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.675 -14.627 -9.117 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.146 -13.564 -7.769 1.00 0.00 H new ATOM 1368 N ASP A 87 8.451 -13.189 -10.788 1.00 0.00 N ATOM 1369 CA ASP A 87 8.345 -13.523 -12.204 1.00 0.00 C ATOM 1370 C ASP A 87 7.040 -13.002 -12.814 1.00 0.00 C ATOM 1371 O ASP A 87 6.544 -13.552 -13.797 1.00 0.00 O ATOM 1372 CB ASP A 87 8.441 -15.039 -12.386 1.00 0.00 C ATOM 1373 CG ASP A 87 7.362 -15.781 -11.622 1.00 0.00 C ATOM 1374 OD1 ASP A 87 6.211 -15.816 -12.104 1.00 0.00 O ATOM 1375 OD2 ASP A 87 7.668 -16.325 -10.539 1.00 0.00 O ATOM 0 H ASP A 87 7.559 -13.024 -10.322 1.00 0.00 H new ATOM 0 HA ASP A 87 9.170 -13.038 -12.726 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.364 -15.281 -13.446 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.420 -15.381 -12.052 1.00 0.00 H new ATOM 1380 N SER A 88 6.493 -11.935 -12.234 1.00 0.00 N ATOM 1381 CA SER A 88 5.250 -11.336 -12.729 1.00 0.00 C ATOM 1382 C SER A 88 4.039 -12.206 -12.411 1.00 0.00 C ATOM 1383 O SER A 88 4.073 -13.424 -12.585 1.00 0.00 O ATOM 1384 CB SER A 88 5.327 -11.086 -14.235 1.00 0.00 C ATOM 1385 OG SER A 88 4.794 -9.813 -14.560 1.00 0.00 O ATOM 0 H SER A 88 6.890 -11.466 -11.420 1.00 0.00 H new ATOM 0 HA SER A 88 5.128 -10.382 -12.216 1.00 0.00 H new ATOM 0 HB2 SER A 88 6.364 -11.147 -14.566 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.777 -11.863 -14.766 1.00 0.00 H new ATOM 0 HG SER A 88 4.854 -9.671 -15.528 1.00 0.00 H new ATOM 1391 N SER A 89 2.965 -11.568 -11.950 1.00 0.00 N ATOM 1392 CA SER A 89 1.737 -12.282 -11.614 1.00 0.00 C ATOM 1393 C SER A 89 0.612 -11.307 -11.259 1.00 0.00 C ATOM 1394 O SER A 89 -0.222 -11.590 -10.399 1.00 0.00 O ATOM 1395 CB SER A 89 1.995 -13.257 -10.459 1.00 0.00 C ATOM 1396 OG SER A 89 1.472 -12.770 -9.235 1.00 0.00 O ATOM 0 H SER A 89 2.921 -10.560 -11.801 1.00 0.00 H new ATOM 0 HA SER A 89 1.419 -12.850 -12.488 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.543 -14.222 -10.689 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.067 -13.424 -10.356 1.00 0.00 H new ATOM 0 HG SER A 89 0.498 -12.691 -9.304 1.00 0.00 H new ATOM 1402 N ARG A 90 0.588 -10.166 -11.938 1.00 0.00 N ATOM 1403 CA ARG A 90 -0.449 -9.146 -11.703 1.00 0.00 C ATOM 1404 C ARG A 90 -0.756 -8.962 -10.214 1.00 0.00 C ATOM 1405 O ARG A 90 -1.870 -8.588 -9.850 1.00 0.00 O ATOM 1406 CB ARG A 90 -1.730 -9.540 -12.437 1.00 0.00 C ATOM 1407 CG ARG A 90 -2.366 -8.388 -13.191 1.00 0.00 C ATOM 1408 CD ARG A 90 -2.191 -8.550 -14.690 1.00 0.00 C ATOM 1409 NE ARG A 90 -3.087 -9.561 -15.237 1.00 0.00 N ATOM 1410 CZ ARG A 90 -3.322 -9.717 -16.536 1.00 0.00 C ATOM 1411 NH1 ARG A 90 -2.747 -8.914 -17.423 1.00 0.00 N ATOM 1412 NH2 ARG A 90 -4.139 -10.675 -16.948 1.00 0.00 N ATOM 0 H ARG A 90 1.269 -9.916 -12.655 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.067 -8.198 -12.083 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.507 -10.345 -13.137 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.447 -9.934 -11.717 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.428 -8.334 -12.950 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.918 -7.448 -12.869 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.377 -7.596 -15.182 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.159 -8.824 -14.907 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.562 -10.185 -14.585 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.121 -8.172 -17.109 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.931 -9.039 -18.418 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.586 -11.291 -16.269 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.321 -10.797 -17.944 1.00 0.00 H new ATOM 1426 N TYR A 91 0.227 -9.222 -9.358 1.00 0.00 N ATOM 1427 CA TYR A 91 0.039 -9.077 -7.918 1.00 0.00 C ATOM 1428 C TYR A 91 1.294 -8.509 -7.256 1.00 0.00 C ATOM 1429 O TYR A 91 2.345 -8.394 -7.886 1.00 0.00 O ATOM 1430 CB TYR A 91 -0.348 -10.433 -7.301 1.00 0.00 C ATOM 1431 CG TYR A 91 0.529 -10.892 -6.152 1.00 0.00 C ATOM 1432 CD1 TYR A 91 1.725 -11.559 -6.386 1.00 0.00 C ATOM 1433 CD2 TYR A 91 0.152 -10.666 -4.835 1.00 0.00 C ATOM 1434 CE1 TYR A 91 2.521 -11.985 -5.342 1.00 0.00 C ATOM 1435 CE2 TYR A 91 0.944 -11.090 -3.785 1.00 0.00 C ATOM 1436 CZ TYR A 91 2.128 -11.749 -4.046 1.00 0.00 C ATOM 1437 OH TYR A 91 2.921 -12.173 -3.007 1.00 0.00 O ATOM 0 H TYR A 91 1.158 -9.533 -9.634 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.772 -8.370 -7.741 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.378 -10.374 -6.950 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -0.321 -11.191 -8.083 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.037 -11.747 -7.403 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.774 -10.151 -4.628 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.448 -12.501 -5.542 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.638 -10.907 -2.766 1.00 0.00 H new ATOM 0 HH TYR A 91 3.859 -12.170 -3.289 1.00 0.00 H new ATOM 1447 N PHE A 92 1.174 -8.154 -5.982 1.00 0.00 N ATOM 1448 CA PHE A 92 2.294 -7.602 -5.234 1.00 0.00 C ATOM 1449 C PHE A 92 1.994 -7.613 -3.743 1.00 0.00 C ATOM 1450 O PHE A 92 0.851 -7.816 -3.333 1.00 0.00 O ATOM 1451 CB PHE A 92 2.613 -6.178 -5.699 1.00 0.00 C ATOM 1452 CG PHE A 92 1.401 -5.312 -5.888 1.00 0.00 C ATOM 1453 CD1 PHE A 92 0.868 -4.603 -4.824 1.00 0.00 C ATOM 1454 CD2 PHE A 92 0.801 -5.197 -7.131 1.00 0.00 C ATOM 1455 CE1 PHE A 92 -0.241 -3.799 -4.998 1.00 0.00 C ATOM 1456 CE2 PHE A 92 -0.308 -4.394 -7.308 1.00 0.00 C ATOM 1457 CZ PHE A 92 -0.830 -3.694 -6.240 1.00 0.00 C ATOM 0 H PHE A 92 0.310 -8.239 -5.446 1.00 0.00 H new ATOM 0 HA PHE A 92 3.167 -8.227 -5.421 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.273 -5.708 -4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.162 -6.228 -6.640 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.325 -4.680 -3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.205 -5.742 -7.971 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.647 -3.252 -4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.767 -4.314 -8.282 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.698 -3.066 -6.376 1.00 0.00 H new ATOM 1467 N VAL A 93 3.025 -7.407 -2.936 1.00 0.00 N ATOM 1468 CA VAL A 93 2.870 -7.408 -1.489 1.00 0.00 C ATOM 1469 C VAL A 93 3.559 -6.207 -0.849 1.00 0.00 C ATOM 1470 O VAL A 93 4.594 -5.751 -1.332 1.00 0.00 O ATOM 1471 CB VAL A 93 3.443 -8.700 -0.880 1.00 0.00 C ATOM 1472 CG1 VAL A 93 2.694 -9.914 -1.401 1.00 0.00 C ATOM 1473 CG2 VAL A 93 4.932 -8.829 -1.169 1.00 0.00 C ATOM 0 H VAL A 93 3.977 -7.237 -3.259 1.00 0.00 H new ATOM 0 HA VAL A 93 1.801 -7.349 -1.283 1.00 0.00 H new ATOM 0 HB VAL A 93 3.312 -8.648 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.114 -10.818 -0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.641 -9.834 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.789 -9.963 -2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.310 -9.751 -0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.093 -8.851 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.461 -7.978 -0.740 1.00 0.00 H new ATOM 1483 N ILE A 94 2.986 -5.703 0.245 1.00 0.00 N ATOM 1484 CA ILE A 94 3.558 -4.559 0.949 1.00 0.00 C ATOM 1485 C ILE A 94 3.226 -4.614 2.434 1.00 0.00 C ATOM 1486 O ILE A 94 2.210 -5.177 2.834 1.00 0.00 O ATOM 1487 CB ILE A 94 3.043 -3.221 0.382 1.00 0.00 C ATOM 1488 CG1 ILE A 94 1.515 -3.183 0.411 1.00 0.00 C ATOM 1489 CG2 ILE A 94 3.554 -2.997 -1.034 1.00 0.00 C ATOM 1490 CD1 ILE A 94 0.953 -1.897 0.974 1.00 0.00 C ATOM 0 H ILE A 94 2.129 -6.069 0.660 1.00 0.00 H new ATOM 0 HA ILE A 94 4.637 -4.614 0.806 1.00 0.00 H new ATOM 0 HB ILE A 94 3.424 -2.416 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.137 -3.322 -0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.150 -4.020 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.176 -2.047 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.644 -2.978 -1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.208 -3.806 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.136 -1.941 0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.301 -1.765 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.288 -1.057 0.366 1.00 0.00 H new ATOM 1502 N ARG A 95 4.087 -4.023 3.251 1.00 0.00 N ATOM 1503 CA ARG A 95 3.875 -4.011 4.693 1.00 0.00 C ATOM 1504 C ARG A 95 4.318 -2.682 5.287 1.00 0.00 C ATOM 1505 O ARG A 95 4.852 -1.823 4.586 1.00 0.00 O ATOM 1506 CB ARG A 95 4.644 -5.159 5.358 1.00 0.00 C ATOM 1507 CG ARG A 95 5.915 -5.539 4.617 1.00 0.00 C ATOM 1508 CD ARG A 95 6.317 -6.991 4.837 1.00 0.00 C ATOM 1509 NE ARG A 95 6.009 -7.486 6.176 1.00 0.00 N ATOM 1510 CZ ARG A 95 6.304 -8.721 6.578 1.00 0.00 C ATOM 1511 NH1 ARG A 95 6.962 -9.543 5.769 1.00 0.00 N ATOM 1512 NH2 ARG A 95 5.950 -9.136 7.788 1.00 0.00 N ATOM 0 H ARG A 95 4.935 -3.548 2.943 1.00 0.00 H new ATOM 0 HA ARG A 95 2.809 -4.143 4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.898 -4.874 6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.995 -6.032 5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.774 -5.364 3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.727 -4.889 4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.809 -7.615 4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.387 -7.094 4.658 1.00 0.00 H new ATOM 0 HE ARG A 95 5.547 -6.857 6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.241 -9.229 4.840 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.188 -10.489 6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.449 -8.508 8.416 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.179 -10.083 8.090 1.00 0.00 H new ATOM 1526 N ILE A 96 4.104 -2.525 6.585 1.00 0.00 N ATOM 1527 CA ILE A 96 4.492 -1.306 7.278 1.00 0.00 C ATOM 1528 C ILE A 96 5.265 -1.648 8.546 1.00 0.00 C ATOM 1529 O ILE A 96 5.111 -2.736 9.093 1.00 0.00 O ATOM 1530 CB ILE A 96 3.269 -0.437 7.636 1.00 0.00 C ATOM 1531 CG1 ILE A 96 2.257 -0.439 6.488 1.00 0.00 C ATOM 1532 CG2 ILE A 96 3.702 0.986 7.958 1.00 0.00 C ATOM 1533 CD1 ILE A 96 0.986 0.316 6.802 1.00 0.00 C ATOM 0 H ILE A 96 3.664 -3.227 7.180 1.00 0.00 H new ATOM 0 HA ILE A 96 5.127 -0.733 6.602 1.00 0.00 H new ATOM 0 HB ILE A 96 2.792 -0.861 8.519 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.721 -0.001 5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.005 -1.470 6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.826 1.585 8.208 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.388 0.975 8.805 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.202 1.419 7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.316 0.273 5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.499 -0.135 7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.226 1.356 7.023 1.00 0.00 H new ATOM 1545 N GLN A 97 6.097 -0.717 9.005 1.00 0.00 N ATOM 1546 CA GLN A 97 6.897 -0.938 10.210 1.00 0.00 C ATOM 1547 C GLN A 97 6.638 0.136 11.266 1.00 0.00 C ATOM 1548 O GLN A 97 6.382 1.296 10.939 1.00 0.00 O ATOM 1549 CB GLN A 97 8.384 -0.969 9.867 1.00 0.00 C ATOM 1550 CG GLN A 97 8.995 -2.356 9.882 1.00 0.00 C ATOM 1551 CD GLN A 97 9.481 -2.784 8.516 1.00 0.00 C ATOM 1552 OE1 GLN A 97 8.602 -2.700 7.530 1.00 0.00 O flip ATOM 1553 NE2 GLN A 97 10.635 -3.181 8.347 1.00 0.00 N flip ATOM 0 H GLN A 97 6.236 0.193 8.565 1.00 0.00 H new ATOM 0 HA GLN A 97 6.599 -1.902 10.623 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.527 -0.532 8.879 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.922 -0.339 10.575 1.00 0.00 H new ATOM 0 HG2 GLN A 97 9.828 -2.376 10.584 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.257 -3.072 10.243 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.279 -3.229 9.137 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.947 -3.461 7.417 1.00 0.00 H new ATOM 1562 N ASP A 98 6.717 -0.260 12.536 1.00 0.00 N ATOM 1563 CA ASP A 98 6.500 0.662 13.650 1.00 0.00 C ATOM 1564 C ASP A 98 7.649 0.612 14.648 1.00 0.00 C ATOM 1565 O ASP A 98 7.556 -0.044 15.685 1.00 0.00 O ATOM 1566 CB ASP A 98 5.194 0.335 14.373 1.00 0.00 C ATOM 1567 CG ASP A 98 4.893 1.306 15.500 1.00 0.00 C ATOM 1568 OD1 ASP A 98 5.743 2.178 15.780 1.00 0.00 O ATOM 1569 OD2 ASP A 98 3.805 1.193 16.101 1.00 0.00 O ATOM 0 H ASP A 98 6.930 -1.216 12.819 1.00 0.00 H new ATOM 0 HA ASP A 98 6.445 1.666 13.230 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.373 0.350 13.657 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.249 -0.677 14.775 1.00 0.00 H new ATOM 1574 N GLY A 99 8.726 1.317 14.335 1.00 0.00 N ATOM 1575 CA GLY A 99 9.868 1.343 15.223 1.00 0.00 C ATOM 1576 C GLY A 99 10.712 0.089 15.124 1.00 0.00 C ATOM 1577 O GLY A 99 11.665 -0.076 15.885 1.00 0.00 O ATOM 0 H GLY A 99 8.829 1.870 13.484 1.00 0.00 H new ATOM 0 HA2 GLY A 99 10.485 2.211 14.990 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.522 1.464 16.250 1.00 0.00 H new ATOM 1581 N THR A 100 10.354 -0.795 14.187 1.00 0.00 N ATOM 1582 CA THR A 100 11.070 -2.053 13.969 1.00 0.00 C ATOM 1583 C THR A 100 10.527 -3.166 14.862 1.00 0.00 C ATOM 1584 O THR A 100 10.629 -4.344 14.524 1.00 0.00 O ATOM 1585 CB THR A 100 12.573 -1.881 14.202 1.00 0.00 C ATOM 1586 OG1 THR A 100 13.057 -0.737 13.520 1.00 0.00 O ATOM 1587 CG2 THR A 100 13.385 -3.071 13.742 1.00 0.00 C ATOM 0 H THR A 100 9.561 -0.658 13.560 1.00 0.00 H new ATOM 0 HA THR A 100 10.909 -2.338 12.929 1.00 0.00 H new ATOM 0 HB THR A 100 12.692 -1.775 15.280 1.00 0.00 H new ATOM 0 HG1 THR A 100 14.019 -0.642 13.682 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.442 -2.887 13.935 1.00 0.00 H new ATOM 0 HG22 THR A 100 13.067 -3.961 14.285 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.232 -3.225 12.674 1.00 0.00 H new ATOM 1595 N GLY A 101 9.942 -2.790 15.996 1.00 0.00 N ATOM 1596 CA GLY A 101 9.387 -3.776 16.902 1.00 0.00 C ATOM 1597 C GLY A 101 8.050 -4.311 16.427 1.00 0.00 C ATOM 1598 O GLY A 101 7.841 -5.523 16.361 1.00 0.00 O ATOM 0 H GLY A 101 9.843 -1.822 16.302 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.089 -4.603 17.009 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.267 -3.331 17.890 1.00 0.00 H new ATOM 1602 N ARG A 102 7.142 -3.397 16.104 1.00 0.00 N ATOM 1603 CA ARG A 102 5.809 -3.762 15.640 1.00 0.00 C ATOM 1604 C ARG A 102 5.641 -3.419 14.161 1.00 0.00 C ATOM 1605 O ARG A 102 5.996 -2.327 13.728 1.00 0.00 O ATOM 1606 CB ARG A 102 4.752 -3.038 16.478 1.00 0.00 C ATOM 1607 CG ARG A 102 5.056 -3.050 17.970 1.00 0.00 C ATOM 1608 CD ARG A 102 5.099 -4.470 18.514 1.00 0.00 C ATOM 1609 NE ARG A 102 4.413 -4.586 19.798 1.00 0.00 N ATOM 1610 CZ ARG A 102 3.877 -5.717 20.253 1.00 0.00 C ATOM 1611 NH1 ARG A 102 3.954 -6.833 19.538 1.00 0.00 N ATOM 1612 NH2 ARG A 102 3.265 -5.732 21.429 1.00 0.00 N ATOM 0 H ARG A 102 7.307 -2.392 16.156 1.00 0.00 H new ATOM 0 HA ARG A 102 5.680 -4.838 15.756 1.00 0.00 H new ATOM 0 HB2 ARG A 102 4.674 -2.005 16.138 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.781 -3.504 16.308 1.00 0.00 H new ATOM 0 HG2 ARG A 102 6.012 -2.559 18.152 1.00 0.00 H new ATOM 0 HG3 ARG A 102 4.297 -2.477 18.503 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.639 -5.148 17.795 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.137 -4.783 18.628 1.00 0.00 H new ATOM 0 HE ARG A 102 4.340 -3.752 20.380 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.426 -6.828 18.634 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.541 -7.696 19.893 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.205 -4.878 21.984 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.854 -6.597 21.779 1.00 0.00 H new ATOM 1626 N SER A 103 5.124 -4.364 13.385 1.00 0.00 N ATOM 1627 CA SER A 103 4.938 -4.153 11.950 1.00 0.00 C ATOM 1628 C SER A 103 3.868 -5.090 11.390 1.00 0.00 C ATOM 1629 O SER A 103 3.785 -6.251 11.784 1.00 0.00 O ATOM 1630 CB SER A 103 6.268 -4.377 11.222 1.00 0.00 C ATOM 1631 OG SER A 103 7.360 -3.957 12.022 1.00 0.00 O ATOM 0 H SER A 103 4.827 -5.280 13.721 1.00 0.00 H new ATOM 0 HA SER A 103 4.603 -3.128 11.791 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.378 -5.433 10.975 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.269 -3.827 10.281 1.00 0.00 H new ATOM 0 HG SER A 103 8.156 -4.479 11.789 1.00 0.00 H new ATOM 1637 N ALA A 104 3.049 -4.579 10.469 1.00 0.00 N ATOM 1638 CA ALA A 104 1.988 -5.382 9.867 1.00 0.00 C ATOM 1639 C ALA A 104 2.198 -5.546 8.362 1.00 0.00 C ATOM 1640 O ALA A 104 2.687 -4.639 7.690 1.00 0.00 O ATOM 1641 CB ALA A 104 0.628 -4.758 10.151 1.00 0.00 C ATOM 0 H ALA A 104 3.101 -3.619 10.127 1.00 0.00 H new ATOM 0 HA ALA A 104 2.022 -6.374 10.317 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.154 -5.367 9.697 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.469 -4.708 11.228 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.594 -3.752 9.732 1.00 0.00 H new ATOM 1647 N PHE A 105 1.834 -6.719 7.842 1.00 0.00 N ATOM 1648 CA PHE A 105 1.992 -7.016 6.418 1.00 0.00 C ATOM 1649 C PHE A 105 0.646 -7.273 5.746 1.00 0.00 C ATOM 1650 O PHE A 105 -0.260 -7.843 6.352 1.00 0.00 O ATOM 1651 CB PHE A 105 2.917 -8.222 6.252 1.00 0.00 C ATOM 1652 CG PHE A 105 3.070 -8.712 4.839 1.00 0.00 C ATOM 1653 CD1 PHE A 105 3.349 -7.835 3.803 1.00 0.00 C ATOM 1654 CD2 PHE A 105 2.956 -10.063 4.554 1.00 0.00 C ATOM 1655 CE1 PHE A 105 3.511 -8.297 2.514 1.00 0.00 C ATOM 1656 CE2 PHE A 105 3.112 -10.529 3.265 1.00 0.00 C ATOM 1657 CZ PHE A 105 3.392 -9.647 2.246 1.00 0.00 C ATOM 0 H PHE A 105 1.427 -7.480 8.387 1.00 0.00 H new ATOM 0 HA PHE A 105 2.435 -6.148 5.930 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.902 -7.962 6.640 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.538 -9.039 6.866 1.00 0.00 H new ATOM 0 HD1 PHE A 105 3.441 -6.778 4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 105 2.742 -10.760 5.351 1.00 0.00 H new ATOM 0 HE1 PHE A 105 3.731 -7.604 1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.015 -11.584 3.056 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.519 -10.010 1.237 1.00 0.00 H new ATOM 1667 N ILE A 106 0.526 -6.842 4.488 1.00 0.00 N ATOM 1668 CA ILE A 106 -0.705 -7.010 3.725 1.00 0.00 C ATOM 1669 C ILE A 106 -0.399 -7.121 2.236 1.00 0.00 C ATOM 1670 O ILE A 106 0.676 -6.726 1.788 1.00 0.00 O ATOM 1671 CB ILE A 106 -1.658 -5.816 3.944 1.00 0.00 C ATOM 1672 CG1 ILE A 106 -0.892 -4.494 3.815 1.00 0.00 C ATOM 1673 CG2 ILE A 106 -2.331 -5.917 5.304 1.00 0.00 C ATOM 1674 CD1 ILE A 106 -1.321 -3.658 2.631 1.00 0.00 C ATOM 0 H ILE A 106 1.273 -6.372 3.977 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.184 -7.925 4.074 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.432 -5.841 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.029 -3.914 4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.173 -4.708 3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.000 -5.068 5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.904 -6.843 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.572 -5.913 6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.736 -2.738 2.604 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.157 -4.219 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.379 -3.413 2.723 1.00 0.00 H new ATOM 1686 N GLY A 107 -1.344 -7.650 1.471 1.00 0.00 N ATOM 1687 CA GLY A 107 -1.138 -7.785 0.042 1.00 0.00 C ATOM 1688 C GLY A 107 -2.162 -7.014 -0.764 1.00 0.00 C ATOM 1689 O GLY A 107 -3.294 -6.837 -0.325 1.00 0.00 O ATOM 0 H GLY A 107 -2.245 -7.986 1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.139 -7.433 -0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.184 -8.839 -0.231 1.00 0.00 H new ATOM 1693 N ILE A 108 -1.763 -6.554 -1.945 1.00 0.00 N ATOM 1694 CA ILE A 108 -2.657 -5.796 -2.818 1.00 0.00 C ATOM 1695 C ILE A 108 -2.400 -6.129 -4.287 1.00 0.00 C ATOM 1696 O ILE A 108 -1.326 -6.614 -4.646 1.00 0.00 O ATOM 1697 CB ILE A 108 -2.488 -4.274 -2.626 1.00 0.00 C ATOM 1698 CG1 ILE A 108 -2.673 -3.879 -1.162 1.00 0.00 C ATOM 1699 CG2 ILE A 108 -3.468 -3.516 -3.505 1.00 0.00 C ATOM 1700 CD1 ILE A 108 -1.449 -3.230 -0.565 1.00 0.00 C ATOM 0 H ILE A 108 -0.825 -6.692 -2.322 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.673 -6.081 -2.544 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.473 -4.009 -2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.517 -3.194 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.926 -4.766 -0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -3.335 -2.444 -3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.286 -3.764 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.487 -3.796 -3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.645 -2.973 0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.609 -3.922 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.208 -2.325 -1.123 1.00 0.00 H new ATOM 1712 N GLY A 109 -3.393 -5.859 -5.134 1.00 0.00 N ATOM 1713 CA GLY A 109 -3.262 -6.125 -6.556 1.00 0.00 C ATOM 1714 C GLY A 109 -4.435 -5.589 -7.353 1.00 0.00 C ATOM 1715 O GLY A 109 -5.230 -4.797 -6.847 1.00 0.00 O ATOM 0 H GLY A 109 -4.289 -5.459 -4.857 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.340 -5.675 -6.924 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.178 -7.200 -6.716 1.00 0.00 H new ATOM 1719 N PHE A 110 -4.543 -6.020 -8.606 1.00 0.00 N ATOM 1720 CA PHE A 110 -5.624 -5.578 -9.476 1.00 0.00 C ATOM 1721 C PHE A 110 -5.978 -6.661 -10.486 1.00 0.00 C ATOM 1722 O PHE A 110 -5.185 -7.566 -10.747 1.00 0.00 O ATOM 1723 CB PHE A 110 -5.228 -4.294 -10.211 1.00 0.00 C ATOM 1724 CG PHE A 110 -5.671 -3.037 -9.516 1.00 0.00 C ATOM 1725 CD1 PHE A 110 -6.933 -2.940 -8.952 1.00 0.00 C ATOM 1726 CD2 PHE A 110 -4.819 -1.951 -9.423 1.00 0.00 C ATOM 1727 CE1 PHE A 110 -7.332 -1.783 -8.309 1.00 0.00 C ATOM 1728 CE2 PHE A 110 -5.212 -0.793 -8.785 1.00 0.00 C ATOM 1729 CZ PHE A 110 -6.468 -0.709 -8.226 1.00 0.00 C ATOM 0 H PHE A 110 -3.894 -6.676 -9.041 1.00 0.00 H new ATOM 0 HA PHE A 110 -6.497 -5.377 -8.856 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.144 -4.272 -10.326 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -5.655 -4.314 -11.214 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.612 -3.777 -9.015 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -3.832 -2.011 -9.856 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -8.318 -1.719 -7.872 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.536 0.047 -8.724 1.00 0.00 H new ATOM 0 HZ PHE A 110 -6.777 0.196 -7.723 1.00 0.00 H new ATOM 1739 N THR A 111 -7.174 -6.558 -11.051 1.00 0.00 N ATOM 1740 CA THR A 111 -7.640 -7.525 -12.037 1.00 0.00 C ATOM 1741 C THR A 111 -6.772 -7.486 -13.296 1.00 0.00 C ATOM 1742 O THR A 111 -6.846 -8.381 -14.137 1.00 0.00 O ATOM 1743 CB THR A 111 -9.111 -7.274 -12.392 1.00 0.00 C ATOM 1744 OG1 THR A 111 -9.835 -6.820 -11.259 1.00 0.00 O ATOM 1745 CG2 THR A 111 -9.818 -8.508 -12.904 1.00 0.00 C ATOM 0 H THR A 111 -7.840 -5.814 -10.843 1.00 0.00 H new ATOM 0 HA THR A 111 -7.556 -8.519 -11.597 1.00 0.00 H new ATOM 0 HB THR A 111 -9.089 -6.521 -13.180 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.770 -6.665 -11.509 1.00 0.00 H new ATOM 0 HG21 THR A 111 -10.854 -8.263 -13.137 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.319 -8.866 -13.804 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.792 -9.286 -12.141 1.00 0.00 H new ATOM 1753 N ASP A 112 -5.939 -6.450 -13.415 1.00 0.00 N ATOM 1754 CA ASP A 112 -5.051 -6.306 -14.563 1.00 0.00 C ATOM 1755 C ASP A 112 -3.728 -5.672 -14.141 1.00 0.00 C ATOM 1756 O ASP A 112 -3.549 -5.300 -12.981 1.00 0.00 O ATOM 1757 CB ASP A 112 -5.714 -5.466 -15.657 1.00 0.00 C ATOM 1758 CG ASP A 112 -5.988 -6.274 -16.910 1.00 0.00 C ATOM 1759 OD1 ASP A 112 -6.203 -7.498 -16.790 1.00 0.00 O ATOM 1760 OD2 ASP A 112 -5.985 -5.684 -18.010 1.00 0.00 O ATOM 0 H ASP A 112 -5.863 -5.700 -12.728 1.00 0.00 H new ATOM 0 HA ASP A 112 -4.850 -7.300 -14.963 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -6.650 -5.054 -15.280 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.071 -4.621 -15.904 1.00 0.00 H new ATOM 1765 N ARG A 113 -2.799 -5.561 -15.086 1.00 0.00 N ATOM 1766 CA ARG A 113 -1.490 -4.983 -14.806 1.00 0.00 C ATOM 1767 C ARG A 113 -1.502 -3.472 -15.006 1.00 0.00 C ATOM 1768 O ARG A 113 -0.860 -2.735 -14.257 1.00 0.00 O ATOM 1769 CB ARG A 113 -0.423 -5.618 -15.703 1.00 0.00 C ATOM 1770 CG ARG A 113 0.968 -5.621 -15.088 1.00 0.00 C ATOM 1771 CD ARG A 113 2.049 -5.365 -16.129 1.00 0.00 C ATOM 1772 NE ARG A 113 2.957 -4.291 -15.727 1.00 0.00 N ATOM 1773 CZ ARG A 113 2.911 -3.051 -16.217 1.00 0.00 C ATOM 1774 NH1 ARG A 113 2.002 -2.720 -17.125 1.00 0.00 N ATOM 1775 NH2 ARG A 113 3.776 -2.139 -15.796 1.00 0.00 N ATOM 0 H ARG A 113 -2.929 -5.864 -16.051 1.00 0.00 H new ATOM 0 HA ARG A 113 -1.250 -5.190 -13.763 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.714 -6.644 -15.928 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.391 -5.081 -16.651 1.00 0.00 H new ATOM 0 HG2 ARG A 113 1.023 -4.858 -14.312 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.149 -6.581 -14.605 1.00 0.00 H new ATOM 0 HD2 ARG A 113 2.619 -6.280 -16.291 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.582 -5.108 -17.080 1.00 0.00 H new ATOM 0 HE ARG A 113 3.670 -4.503 -15.029 1.00 0.00 H new ATOM 0 HH11 ARG A 113 1.332 -3.416 -17.453 1.00 0.00 H new ATOM 0 HH12 ARG A 113 1.973 -1.770 -17.495 1.00 0.00 H new ATOM 0 HH21 ARG A 113 4.477 -2.385 -15.097 1.00 0.00 H new ATOM 0 HH22 ARG A 113 3.741 -1.191 -16.171 1.00 0.00 H new ATOM 1789 N GLY A 114 -2.233 -3.014 -16.018 1.00 0.00 N ATOM 1790 CA GLY A 114 -2.308 -1.589 -16.292 1.00 0.00 C ATOM 1791 C GLY A 114 -2.633 -0.780 -15.052 1.00 0.00 C ATOM 1792 O GLY A 114 -1.934 0.178 -14.724 1.00 0.00 O ATOM 0 H GLY A 114 -2.774 -3.602 -16.652 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -1.358 -1.250 -16.705 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -3.069 -1.407 -17.051 1.00 0.00 H new ATOM 1796 N ASP A 115 -3.696 -1.174 -14.359 1.00 0.00 N ATOM 1797 CA ASP A 115 -4.116 -0.489 -13.143 1.00 0.00 C ATOM 1798 C ASP A 115 -3.075 -0.657 -12.041 1.00 0.00 C ATOM 1799 O ASP A 115 -2.663 0.316 -11.407 1.00 0.00 O ATOM 1800 CB ASP A 115 -5.465 -1.030 -12.671 1.00 0.00 C ATOM 1801 CG ASP A 115 -6.633 -0.241 -13.228 1.00 0.00 C ATOM 1802 OD1 ASP A 115 -6.443 0.469 -14.238 1.00 0.00 O ATOM 1803 OD2 ASP A 115 -7.738 -0.335 -12.654 1.00 0.00 O ATOM 0 H ASP A 115 -4.283 -1.966 -14.620 1.00 0.00 H new ATOM 0 HA ASP A 115 -4.216 0.573 -13.367 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.559 -2.074 -12.971 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.501 -1.007 -11.582 1.00 0.00 H new ATOM 1808 N ALA A 116 -2.652 -1.900 -11.818 1.00 0.00 N ATOM 1809 CA ALA A 116 -1.656 -2.205 -10.795 1.00 0.00 C ATOM 1810 C ALA A 116 -0.457 -1.270 -10.899 1.00 0.00 C ATOM 1811 O ALA A 116 0.185 -0.951 -9.899 1.00 0.00 O ATOM 1812 CB ALA A 116 -1.215 -3.656 -10.913 1.00 0.00 C ATOM 0 H ALA A 116 -2.985 -2.714 -12.334 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.112 -2.053 -9.817 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.472 -3.874 -10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.077 -4.310 -10.780 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.780 -3.825 -11.898 1.00 0.00 H new ATOM 1818 N PHE A 117 -0.168 -0.834 -12.119 1.00 0.00 N ATOM 1819 CA PHE A 117 0.949 0.064 -12.368 1.00 0.00 C ATOM 1820 C PHE A 117 0.662 1.459 -11.817 1.00 0.00 C ATOM 1821 O PHE A 117 1.466 2.023 -11.076 1.00 0.00 O ATOM 1822 CB PHE A 117 1.234 0.131 -13.872 1.00 0.00 C ATOM 1823 CG PHE A 117 2.178 1.231 -14.272 1.00 0.00 C ATOM 1824 CD1 PHE A 117 1.714 2.524 -14.461 1.00 0.00 C ATOM 1825 CD2 PHE A 117 3.526 0.972 -14.461 1.00 0.00 C ATOM 1826 CE1 PHE A 117 2.577 3.536 -14.833 1.00 0.00 C ATOM 1827 CE2 PHE A 117 4.394 1.981 -14.832 1.00 0.00 C ATOM 1828 CZ PHE A 117 3.919 3.265 -15.017 1.00 0.00 C ATOM 0 H PHE A 117 -0.695 -1.090 -12.954 1.00 0.00 H new ATOM 0 HA PHE A 117 1.828 -0.324 -11.854 1.00 0.00 H new ATOM 0 HB2 PHE A 117 1.649 -0.824 -14.195 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.292 0.265 -14.403 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.666 2.742 -14.316 1.00 0.00 H new ATOM 0 HD2 PHE A 117 3.902 -0.030 -14.317 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.203 4.538 -14.980 1.00 0.00 H new ATOM 0 HE2 PHE A 117 5.442 1.766 -14.977 1.00 0.00 H new ATOM 0 HZ PHE A 117 4.596 4.056 -15.305 1.00 0.00 H new ATOM 1838 N ASP A 118 -0.489 2.010 -12.190 1.00 0.00 N ATOM 1839 CA ASP A 118 -0.887 3.341 -11.740 1.00 0.00 C ATOM 1840 C ASP A 118 -0.753 3.477 -10.223 1.00 0.00 C ATOM 1841 O ASP A 118 -0.264 4.488 -9.722 1.00 0.00 O ATOM 1842 CB ASP A 118 -2.324 3.632 -12.174 1.00 0.00 C ATOM 1843 CG ASP A 118 -2.397 4.191 -13.582 1.00 0.00 C ATOM 1844 OD1 ASP A 118 -2.455 3.388 -14.538 1.00 0.00 O ATOM 1845 OD2 ASP A 118 -2.392 5.431 -13.729 1.00 0.00 O ATOM 0 H ASP A 118 -1.164 1.555 -12.804 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.219 4.069 -12.201 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.911 2.715 -12.118 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -2.774 4.341 -11.480 1.00 0.00 H new ATOM 1850 N PHE A 119 -1.203 2.461 -9.494 1.00 0.00 N ATOM 1851 CA PHE A 119 -1.132 2.486 -8.037 1.00 0.00 C ATOM 1852 C PHE A 119 0.321 2.530 -7.569 1.00 0.00 C ATOM 1853 O PHE A 119 0.708 3.402 -6.792 1.00 0.00 O ATOM 1854 CB PHE A 119 -1.850 1.263 -7.441 1.00 0.00 C ATOM 1855 CG PHE A 119 -1.083 0.578 -6.339 1.00 0.00 C ATOM 1856 CD1 PHE A 119 -1.212 0.994 -5.022 1.00 0.00 C ATOM 1857 CD2 PHE A 119 -0.226 -0.473 -6.622 1.00 0.00 C ATOM 1858 CE1 PHE A 119 -0.503 0.372 -4.010 1.00 0.00 C ATOM 1859 CE2 PHE A 119 0.486 -1.096 -5.616 1.00 0.00 C ATOM 1860 CZ PHE A 119 0.347 -0.674 -4.309 1.00 0.00 C ATOM 0 H PHE A 119 -1.618 1.615 -9.885 1.00 0.00 H new ATOM 0 HA PHE A 119 -1.634 3.388 -7.686 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -2.819 1.577 -7.054 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.042 0.544 -8.237 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -1.874 1.813 -4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -0.113 -0.809 -7.642 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -0.614 0.704 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 119 1.151 -1.913 -5.852 1.00 0.00 H new ATOM 0 HZ PHE A 119 0.902 -1.161 -3.521 1.00 0.00 H new ATOM 1870 N ASN A 120 1.115 1.576 -8.044 1.00 0.00 N ATOM 1871 CA ASN A 120 2.523 1.492 -7.675 1.00 0.00 C ATOM 1872 C ASN A 120 3.245 2.806 -7.953 1.00 0.00 C ATOM 1873 O ASN A 120 3.815 3.418 -7.049 1.00 0.00 O ATOM 1874 CB ASN A 120 3.201 0.355 -8.442 1.00 0.00 C ATOM 1875 CG ASN A 120 4.164 -0.434 -7.578 1.00 0.00 C ATOM 1876 OD1 ASN A 120 3.853 -1.539 -7.133 1.00 0.00 O ATOM 1877 ND2 ASN A 120 5.340 0.131 -7.335 1.00 0.00 N ATOM 0 H ASN A 120 0.806 0.848 -8.688 1.00 0.00 H new ATOM 0 HA ASN A 120 2.579 1.291 -6.605 1.00 0.00 H new ATOM 0 HB2 ASN A 120 2.439 -0.317 -8.838 1.00 0.00 H new ATOM 0 HB3 ASN A 120 3.738 0.767 -9.296 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.029 -0.353 -6.759 1.00 0.00 H new ATOM 0 HD22 ASN A 120 5.555 1.049 -7.725 1.00 0.00 H new ATOM 1884 N VAL A 121 3.222 3.233 -9.213 1.00 0.00 N ATOM 1885 CA VAL A 121 3.879 4.473 -9.611 1.00 0.00 C ATOM 1886 C VAL A 121 3.429 5.644 -8.742 1.00 0.00 C ATOM 1887 O VAL A 121 4.197 6.573 -8.491 1.00 0.00 O ATOM 1888 CB VAL A 121 3.607 4.812 -11.092 1.00 0.00 C ATOM 1889 CG1 VAL A 121 4.358 3.863 -12.014 1.00 0.00 C ATOM 1890 CG2 VAL A 121 2.114 4.783 -11.387 1.00 0.00 C ATOM 0 H VAL A 121 2.756 2.739 -9.974 1.00 0.00 H new ATOM 0 HA VAL A 121 4.949 4.314 -9.475 1.00 0.00 H new ATOM 0 HB VAL A 121 3.971 5.822 -11.279 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.150 4.123 -13.052 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.429 3.946 -11.827 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.035 2.840 -11.824 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.946 5.025 -12.436 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.721 3.789 -11.176 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.605 5.515 -10.760 1.00 0.00 H new ATOM 1900 N SER A 122 2.181 5.595 -8.282 1.00 0.00 N ATOM 1901 CA SER A 122 1.639 6.655 -7.439 1.00 0.00 C ATOM 1902 C SER A 122 2.365 6.699 -6.101 1.00 0.00 C ATOM 1903 O SER A 122 2.837 7.752 -5.673 1.00 0.00 O ATOM 1904 CB SER A 122 0.138 6.450 -7.216 1.00 0.00 C ATOM 1905 OG SER A 122 -0.602 7.578 -7.650 1.00 0.00 O ATOM 0 H SER A 122 1.529 4.835 -8.478 1.00 0.00 H new ATOM 0 HA SER A 122 1.790 7.606 -7.949 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.195 5.563 -7.756 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.054 6.270 -6.158 1.00 0.00 H new ATOM 0 HG SER A 122 -1.557 7.421 -7.498 1.00 0.00 H new ATOM 1911 N LEU A 123 2.460 5.545 -5.446 1.00 0.00 N ATOM 1912 CA LEU A 123 3.138 5.452 -4.159 1.00 0.00 C ATOM 1913 C LEU A 123 4.533 6.059 -4.246 1.00 0.00 C ATOM 1914 O LEU A 123 5.039 6.604 -3.272 1.00 0.00 O ATOM 1915 CB LEU A 123 3.228 3.989 -3.705 1.00 0.00 C ATOM 1916 CG LEU A 123 2.802 3.729 -2.256 1.00 0.00 C ATOM 1917 CD1 LEU A 123 2.113 2.377 -2.135 1.00 0.00 C ATOM 1918 CD2 LEU A 123 4.005 3.799 -1.326 1.00 0.00 C ATOM 0 H LEU A 123 2.076 4.663 -5.786 1.00 0.00 H new ATOM 0 HA LEU A 123 2.558 6.012 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.607 3.382 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.256 3.648 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 123 2.093 4.503 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.818 2.210 -1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.228 2.361 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 123 2.799 1.590 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 123 3.684 3.612 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 123 4.737 3.046 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 123 4.457 4.789 -1.390 1.00 0.00 H new ATOM 1930 N GLN A 124 5.146 5.964 -5.422 1.00 0.00 N ATOM 1931 CA GLN A 124 6.485 6.506 -5.632 1.00 0.00 C ATOM 1932 C GLN A 124 6.459 8.029 -5.731 1.00 0.00 C ATOM 1933 O GLN A 124 7.211 8.717 -5.040 1.00 0.00 O ATOM 1934 CB GLN A 124 7.109 5.916 -6.898 1.00 0.00 C ATOM 1935 CG GLN A 124 8.602 5.655 -6.773 1.00 0.00 C ATOM 1936 CD GLN A 124 9.261 5.336 -8.103 1.00 0.00 C ATOM 1937 OE1 GLN A 124 8.878 6.059 -9.150 1.00 0.00 O flip ATOM 1938 NE2 GLN A 124 10.110 4.449 -8.188 1.00 0.00 N flip ATOM 0 H GLN A 124 4.738 5.517 -6.243 1.00 0.00 H new ATOM 0 HA GLN A 124 7.091 6.229 -4.770 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.604 4.981 -7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.936 6.598 -7.731 1.00 0.00 H new ATOM 0 HG2 GLN A 124 9.083 6.530 -6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.764 4.825 -6.085 1.00 0.00 H new ATOM 0 HE21 GLN A 124 10.376 3.917 -7.360 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.548 4.246 -9.087 1.00 0.00 H new ATOM 1947 N ASP A 125 5.596 8.551 -6.599 1.00 0.00 N ATOM 1948 CA ASP A 125 5.482 9.995 -6.794 1.00 0.00 C ATOM 1949 C ASP A 125 5.394 10.732 -5.459 1.00 0.00 C ATOM 1950 O ASP A 125 6.083 11.729 -5.244 1.00 0.00 O ATOM 1951 CB ASP A 125 4.256 10.321 -7.651 1.00 0.00 C ATOM 1952 CG ASP A 125 4.632 10.775 -9.049 1.00 0.00 C ATOM 1953 OD1 ASP A 125 5.709 11.390 -9.203 1.00 0.00 O ATOM 1954 OD2 ASP A 125 3.851 10.516 -9.987 1.00 0.00 O ATOM 0 H ASP A 125 4.966 7.997 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 125 6.381 10.332 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 125 3.618 9.440 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 125 3.672 11.102 -7.163 1.00 0.00 H new ATOM 1959 N HIS A 126 4.542 10.236 -4.569 1.00 0.00 N ATOM 1960 CA HIS A 126 4.365 10.850 -3.258 1.00 0.00 C ATOM 1961 C HIS A 126 5.520 10.492 -2.320 1.00 0.00 C ATOM 1962 O HIS A 126 6.060 11.359 -1.634 1.00 0.00 O ATOM 1963 CB HIS A 126 3.032 10.411 -2.644 1.00 0.00 C ATOM 1964 CG HIS A 126 1.837 11.064 -3.270 1.00 0.00 C ATOM 1965 ND1 HIS A 126 0.561 10.950 -2.759 1.00 0.00 N ATOM 1966 CD2 HIS A 126 1.727 11.843 -4.373 1.00 0.00 C ATOM 1967 CE1 HIS A 126 -0.281 11.628 -3.517 1.00 0.00 C ATOM 1968 NE2 HIS A 126 0.401 12.179 -4.504 1.00 0.00 N ATOM 0 H HIS A 126 3.964 9.412 -4.731 1.00 0.00 H new ATOM 0 HA HIS A 126 4.358 11.932 -3.390 1.00 0.00 H new ATOM 0 HB2 HIS A 126 2.936 9.329 -2.740 1.00 0.00 H new ATOM 0 HB3 HIS A 126 3.041 10.636 -1.578 1.00 0.00 H new ATOM 0 HD2 HIS A 126 2.532 12.144 -5.027 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -1.345 11.717 -3.357 1.00 0.00 H new ATOM 0 HE2 HIS A 126 0.007 12.760 -5.244 1.00 0.00 H new ATOM 1976 N PHE A 127 5.890 9.212 -2.292 1.00 0.00 N ATOM 1977 CA PHE A 127 6.977 8.743 -1.433 1.00 0.00 C ATOM 1978 C PHE A 127 8.293 9.454 -1.757 1.00 0.00 C ATOM 1979 O PHE A 127 8.663 10.421 -1.090 1.00 0.00 O ATOM 1980 CB PHE A 127 7.148 7.227 -1.573 1.00 0.00 C ATOM 1981 CG PHE A 127 7.247 6.502 -0.265 1.00 0.00 C ATOM 1982 CD1 PHE A 127 6.208 6.548 0.651 1.00 0.00 C ATOM 1983 CD2 PHE A 127 8.376 5.763 0.043 1.00 0.00 C ATOM 1984 CE1 PHE A 127 6.297 5.873 1.853 1.00 0.00 C ATOM 1985 CE2 PHE A 127 8.470 5.083 1.242 1.00 0.00 C ATOM 1986 CZ PHE A 127 7.429 5.138 2.148 1.00 0.00 C ATOM 0 H PHE A 127 5.453 8.481 -2.854 1.00 0.00 H new ATOM 0 HA PHE A 127 6.713 8.980 -0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 127 6.305 6.827 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 127 8.046 7.025 -2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 127 5.319 7.118 0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.193 5.717 -0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 127 5.483 5.920 2.561 1.00 0.00 H new ATOM 0 HE2 PHE A 127 9.356 4.509 1.470 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.500 4.607 3.086 1.00 0.00 H new ATOM 1996 N LYS A 128 8.999 8.969 -2.777 1.00 0.00 N ATOM 1997 CA LYS A 128 10.268 9.561 -3.180 1.00 0.00 C ATOM 1998 C LYS A 128 10.056 10.641 -4.236 1.00 0.00 C ATOM 1999 O LYS A 128 8.953 10.807 -4.757 1.00 0.00 O ATOM 2000 CB LYS A 128 11.217 8.483 -3.708 1.00 0.00 C ATOM 2001 CG LYS A 128 11.382 7.300 -2.765 1.00 0.00 C ATOM 2002 CD LYS A 128 11.721 6.020 -3.519 1.00 0.00 C ATOM 2003 CE LYS A 128 12.981 5.359 -2.975 1.00 0.00 C ATOM 2004 NZ LYS A 128 12.687 4.048 -2.331 1.00 0.00 N ATOM 0 H LYS A 128 8.711 8.167 -3.338 1.00 0.00 H new ATOM 0 HA LYS A 128 10.718 10.026 -2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 128 10.846 8.123 -4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.194 8.930 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 128 12.170 7.517 -2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 128 10.462 7.156 -2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 128 10.885 5.324 -3.447 1.00 0.00 H new ATOM 0 HD3 LYS A 128 11.857 6.246 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 128 13.694 5.213 -3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 128 13.454 6.021 -2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 13.570 3.631 -1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 12.027 4.190 -1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 12.259 3.407 -3.029 1.00 0.00 H new ATOM 2018 N TRP A 129 11.121 11.367 -4.554 1.00 0.00 N ATOM 2019 CA TRP A 129 11.054 12.427 -5.553 1.00 0.00 C ATOM 2020 C TRP A 129 12.377 12.547 -6.305 1.00 0.00 C ATOM 2021 O TRP A 129 13.404 12.035 -5.861 1.00 0.00 O ATOM 2022 CB TRP A 129 10.707 13.761 -4.889 1.00 0.00 C ATOM 2023 CG TRP A 129 9.242 14.081 -4.916 1.00 0.00 C ATOM 2024 CD1 TRP A 129 8.438 14.328 -3.840 1.00 0.00 C ATOM 2025 CD2 TRP A 129 8.408 14.193 -6.075 1.00 0.00 C ATOM 2026 NE1 TRP A 129 7.155 14.585 -4.259 1.00 0.00 N ATOM 2027 CE2 TRP A 129 7.110 14.508 -5.627 1.00 0.00 C ATOM 2028 CE3 TRP A 129 8.629 14.057 -7.448 1.00 0.00 C ATOM 2029 CZ2 TRP A 129 6.044 14.692 -6.503 1.00 0.00 C ATOM 2030 CZ3 TRP A 129 7.569 14.240 -8.317 1.00 0.00 C ATOM 2031 CH2 TRP A 129 6.290 14.552 -7.841 1.00 0.00 C ATOM 0 H TRP A 129 12.042 11.241 -4.134 1.00 0.00 H new ATOM 0 HA TRP A 129 10.272 12.172 -6.268 1.00 0.00 H new ATOM 0 HB2 TRP A 129 11.047 13.742 -3.854 1.00 0.00 H new ATOM 0 HB3 TRP A 129 11.254 14.560 -5.389 1.00 0.00 H new ATOM 0 HD1 TRP A 129 8.763 14.322 -2.810 1.00 0.00 H new ATOM 0 HE1 TRP A 129 6.364 14.798 -3.651 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.611 13.813 -7.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 5.057 14.937 -6.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 7.730 14.141 -9.380 1.00 0.00 H new ATOM 0 HH2 TRP A 129 5.481 14.685 -8.544 1.00 0.00 H new ATOM 2042 N VAL A 130 12.339 13.226 -7.447 1.00 0.00 N ATOM 2043 CA VAL A 130 13.528 13.416 -8.271 1.00 0.00 C ATOM 2044 C VAL A 130 13.506 14.781 -8.949 1.00 0.00 C ATOM 2045 O VAL A 130 14.496 15.512 -8.929 1.00 0.00 O ATOM 2046 CB VAL A 130 13.640 12.322 -9.349 1.00 0.00 C ATOM 2047 CG1 VAL A 130 14.961 12.437 -10.096 1.00 0.00 C ATOM 2048 CG2 VAL A 130 13.489 10.942 -8.728 1.00 0.00 C ATOM 0 H VAL A 130 11.494 13.655 -7.824 1.00 0.00 H new ATOM 0 HA VAL A 130 14.392 13.353 -7.609 1.00 0.00 H new ATOM 0 HB VAL A 130 12.832 12.463 -10.066 1.00 0.00 H new ATOM 0 HG11 VAL A 130 15.020 11.655 -10.853 1.00 0.00 H new ATOM 0 HG12 VAL A 130 15.023 13.413 -10.577 1.00 0.00 H new ATOM 0 HG13 VAL A 130 15.787 12.325 -9.394 1.00 0.00 H new ATOM 0 HG21 VAL A 130 13.571 10.182 -9.505 1.00 0.00 H new ATOM 0 HG22 VAL A 130 14.273 10.789 -7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 130 12.514 10.864 -8.246 1.00 0.00 H new ATOM 2058 N LYS A 131 12.367 15.120 -9.544 1.00 0.00 N ATOM 2059 CA LYS A 131 12.211 16.401 -10.225 1.00 0.00 C ATOM 2060 C LYS A 131 11.650 17.454 -9.270 1.00 0.00 C ATOM 2061 O LYS A 131 10.742 18.207 -9.621 1.00 0.00 O ATOM 2062 CB LYS A 131 11.293 16.243 -11.441 1.00 0.00 C ATOM 2063 CG LYS A 131 11.949 16.639 -12.753 1.00 0.00 C ATOM 2064 CD LYS A 131 11.028 16.382 -13.935 1.00 0.00 C ATOM 2065 CE LYS A 131 10.280 17.641 -14.344 1.00 0.00 C ATOM 2066 NZ LYS A 131 10.765 18.175 -15.647 1.00 0.00 N ATOM 0 H LYS A 131 11.538 14.526 -9.569 1.00 0.00 H new ATOM 0 HA LYS A 131 13.192 16.734 -10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 131 10.966 15.205 -11.507 1.00 0.00 H new ATOM 0 HB3 LYS A 131 10.400 16.850 -11.293 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.218 17.695 -12.723 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.874 16.078 -12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 131 11.612 16.014 -14.779 1.00 0.00 H new ATOM 0 HD3 LYS A 131 10.313 15.601 -13.677 1.00 0.00 H new ATOM 0 HE2 LYS A 131 9.214 17.424 -14.415 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.400 18.402 -13.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 10.231 19.033 -15.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.776 18.406 -15.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 10.627 17.459 -16.389 1.00 0.00 H new ATOM 2080 N GLN A 132 12.198 17.498 -8.058 1.00 0.00 N ATOM 2081 CA GLN A 132 11.751 18.453 -7.049 1.00 0.00 C ATOM 2082 C GLN A 132 12.345 19.836 -7.303 1.00 0.00 C ATOM 2083 O GLN A 132 13.436 20.152 -6.825 1.00 0.00 O ATOM 2084 CB GLN A 132 12.139 17.962 -5.649 1.00 0.00 C ATOM 2085 CG GLN A 132 10.980 17.942 -4.664 1.00 0.00 C ATOM 2086 CD GLN A 132 11.440 18.053 -3.223 1.00 0.00 C ATOM 2087 OE1 GLN A 132 12.387 17.385 -2.808 1.00 0.00 O ATOM 2088 NE2 GLN A 132 10.768 18.901 -2.449 1.00 0.00 N ATOM 0 H GLN A 132 12.952 16.883 -7.751 1.00 0.00 H new ATOM 0 HA GLN A 132 10.666 18.531 -7.112 1.00 0.00 H new ATOM 0 HB2 GLN A 132 12.554 16.957 -5.728 1.00 0.00 H new ATOM 0 HB3 GLN A 132 12.928 18.603 -5.255 1.00 0.00 H new ATOM 0 HG2 GLN A 132 10.301 18.765 -4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 132 10.415 17.019 -4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 132 9.989 19.435 -2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 132 11.032 19.017 -1.471 1.00 0.00 H new ATOM 2097 N GLU A 133 11.616 20.661 -8.051 1.00 0.00 N ATOM 2098 CA GLU A 133 12.067 22.014 -8.365 1.00 0.00 C ATOM 2099 C GLU A 133 10.892 22.988 -8.370 1.00 0.00 C ATOM 2100 O GLU A 133 11.117 24.187 -8.100 1.00 0.00 O ATOM 2101 CB GLU A 133 12.765 22.047 -9.727 1.00 0.00 C ATOM 2102 CG GLU A 133 13.939 21.085 -9.838 1.00 0.00 C ATOM 2103 CD GLU A 133 13.700 19.970 -10.839 1.00 0.00 C ATOM 2104 OE1 GLU A 133 12.562 19.852 -11.342 1.00 0.00 O ATOM 2105 OE2 GLU A 133 14.652 19.213 -11.120 1.00 0.00 O ATOM 2106 OXT GLU A 133 9.758 22.544 -8.643 1.00 0.00 O ATOM 0 H GLU A 133 10.710 20.416 -8.451 1.00 0.00 H new ATOM 0 HA GLU A 133 12.775 22.317 -7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 133 12.038 21.810 -10.503 1.00 0.00 H new ATOM 0 HB3 GLU A 133 13.118 23.060 -9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 133 14.831 21.641 -10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 133 14.139 20.650 -8.859 1.00 0.00 H new TER 2113 GLU A 133