USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 THR OG1 : rot 180:sc= -0.318 USER MOD Set 1.2: A 72 ASN : amide:sc= -0.449 K(o=-0.77,f=-2.4!) USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.00491 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 45:sc= 0.856 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 18 THR OG1 : rot -3:sc= 0.639! USER MOD Single : A 19 SER OG : rot 150:sc= -0.518 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -113:sc= -0.914 (180deg=-7.06!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.303 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 69:sc= 0.958 USER MOD Single : A 54 SER OG : rot 180:sc= -0.126 USER MOD Single : A 58 THR OG1 : rot -105:sc= -1.14 USER MOD Single : A 59 ASN : amide:sc= -0.127 K(o=-0.13,f=-3.3!) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 68 GLN : amide:sc= -1.56 X(o=-1.6,f=-2!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -13.1! C(o=-13!,f=-14!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 21:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.686 -27.641 -13.611 1.00 0.00 N ATOM 2 CA GLY A 1 -12.491 -27.378 -12.196 1.00 0.00 C ATOM 3 C GLY A 1 -13.554 -28.089 -11.355 1.00 0.00 C ATOM 4 O GLY A 1 -13.861 -29.256 -11.593 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.763 -27.667 -14.090 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.164 -28.557 -13.731 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.271 -26.888 -14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.499 -27.713 -11.893 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.535 -26.304 -12.012 1.00 0.00 H new ATOM 8 N SER A 2 -14.088 -27.355 -10.390 1.00 0.00 N ATOM 9 CA SER A 2 -15.110 -27.900 -9.513 1.00 0.00 C ATOM 10 C SER A 2 -14.548 -29.089 -8.730 1.00 0.00 C ATOM 11 O SER A 2 -14.647 -30.231 -9.175 1.00 0.00 O ATOM 12 CB SER A 2 -16.348 -28.323 -10.306 1.00 0.00 C ATOM 13 OG SER A 2 -17.403 -27.372 -10.196 1.00 0.00 O ATOM 0 H SER A 2 -13.832 -26.387 -10.196 1.00 0.00 H new ATOM 0 HA SER A 2 -15.410 -27.121 -8.812 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.081 -28.448 -11.355 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.695 -29.292 -9.947 1.00 0.00 H new ATOM 0 HG SER A 2 -18.174 -27.677 -10.717 1.00 0.00 H new ATOM 19 N GLU A 3 -13.972 -28.779 -7.578 1.00 0.00 N ATOM 20 CA GLU A 3 -13.394 -29.808 -6.730 1.00 0.00 C ATOM 21 C GLU A 3 -13.290 -29.309 -5.287 1.00 0.00 C ATOM 22 O GLU A 3 -13.867 -29.904 -4.378 1.00 0.00 O ATOM 23 CB GLU A 3 -12.028 -30.250 -7.257 1.00 0.00 C ATOM 24 CG GLU A 3 -11.848 -31.763 -7.111 1.00 0.00 C ATOM 25 CD GLU A 3 -10.427 -32.185 -7.493 1.00 0.00 C ATOM 26 OE1 GLU A 3 -9.503 -31.397 -7.198 1.00 0.00 O ATOM 27 OE2 GLU A 3 -10.299 -33.285 -8.071 1.00 0.00 O ATOM 0 H GLU A 3 -13.893 -27.830 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.051 -30.677 -6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.930 -29.968 -8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.239 -29.732 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.056 -32.060 -6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.568 -32.281 -7.744 1.00 0.00 H new ATOM 34 N GLY A 4 -12.550 -28.223 -5.122 1.00 0.00 N ATOM 35 CA GLY A 4 -12.363 -27.637 -3.806 1.00 0.00 C ATOM 36 C GLY A 4 -12.386 -26.109 -3.877 1.00 0.00 C ATOM 37 O GLY A 4 -11.336 -25.469 -3.895 1.00 0.00 O ATOM 0 H GLY A 4 -12.072 -27.733 -5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.148 -27.985 -3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.414 -27.971 -3.387 1.00 0.00 H new ATOM 41 N ALA A 5 -13.595 -25.568 -3.914 1.00 0.00 N ATOM 42 CA ALA A 5 -13.769 -24.127 -3.983 1.00 0.00 C ATOM 43 C ALA A 5 -14.398 -23.632 -2.679 1.00 0.00 C ATOM 44 O ALA A 5 -15.579 -23.290 -2.647 1.00 0.00 O ATOM 45 CB ALA A 5 -14.612 -23.772 -5.209 1.00 0.00 C ATOM 0 H ALA A 5 -14.464 -26.102 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 5 -12.806 -23.629 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -14.742 -22.691 -5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -14.108 -24.120 -6.110 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -15.588 -24.252 -5.131 1.00 0.00 H new ATOM 51 N ALA A 6 -13.581 -23.608 -1.637 1.00 0.00 N ATOM 52 CA ALA A 6 -14.042 -23.159 -0.334 1.00 0.00 C ATOM 53 C ALA A 6 -13.021 -22.185 0.257 1.00 0.00 C ATOM 54 O ALA A 6 -12.133 -22.590 1.005 1.00 0.00 O ATOM 55 CB ALA A 6 -14.281 -24.371 0.568 1.00 0.00 C ATOM 0 H ALA A 6 -12.602 -23.892 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 6 -14.989 -22.628 -0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -14.627 -24.035 1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.036 -25.016 0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.351 -24.927 0.684 1.00 0.00 H new ATOM 61 N THR A 7 -13.182 -20.920 -0.102 1.00 0.00 N ATOM 62 CA THR A 7 -12.285 -19.885 0.383 1.00 0.00 C ATOM 63 C THR A 7 -13.080 -18.653 0.822 1.00 0.00 C ATOM 64 O THR A 7 -14.077 -18.298 0.196 1.00 0.00 O ATOM 65 CB THR A 7 -11.265 -19.589 -0.718 1.00 0.00 C ATOM 66 OG1 THR A 7 -12.061 -19.379 -1.881 1.00 0.00 O ATOM 67 CG2 THR A 7 -10.409 -20.808 -1.066 1.00 0.00 C ATOM 0 H THR A 7 -13.920 -20.588 -0.723 1.00 0.00 H new ATOM 0 HA THR A 7 -11.742 -20.215 1.269 1.00 0.00 H new ATOM 0 HB THR A 7 -10.618 -18.770 -0.403 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.479 -19.179 -2.644 1.00 0.00 H new ATOM 0 HG21 THR A 7 -9.702 -20.544 -1.852 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.862 -21.133 -0.181 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.052 -21.617 -1.413 1.00 0.00 H new ATOM 75 N MET A 8 -12.608 -18.036 1.896 1.00 0.00 N ATOM 76 CA MET A 8 -13.262 -16.852 2.426 1.00 0.00 C ATOM 77 C MET A 8 -12.371 -16.144 3.448 1.00 0.00 C ATOM 78 O MET A 8 -12.418 -16.454 4.638 1.00 0.00 O ATOM 79 CB MET A 8 -14.582 -17.251 3.089 1.00 0.00 C ATOM 80 CG MET A 8 -15.591 -16.102 3.037 1.00 0.00 C ATOM 81 SD MET A 8 -16.966 -16.447 4.121 1.00 0.00 S ATOM 82 CE MET A 8 -16.322 -15.800 5.655 1.00 0.00 C ATOM 0 H MET A 8 -11.781 -18.334 2.413 1.00 0.00 H new ATOM 0 HA MET A 8 -13.452 -16.166 1.601 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.995 -18.126 2.587 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.401 -17.534 4.126 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.109 -15.170 3.333 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.947 -15.966 2.016 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.060 -15.936 6.445 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.407 -16.331 5.918 1.00 0.00 H new ATOM 0 HE3 MET A 8 -16.105 -14.738 5.539 1.00 0.00 H new ATOM 92 N SER A 9 -11.579 -15.207 2.948 1.00 0.00 N ATOM 93 CA SER A 9 -10.678 -14.453 3.803 1.00 0.00 C ATOM 94 C SER A 9 -9.924 -13.409 2.977 1.00 0.00 C ATOM 95 O SER A 9 -8.799 -13.651 2.543 1.00 0.00 O ATOM 96 CB SER A 9 -9.692 -15.380 4.516 1.00 0.00 C ATOM 97 OG SER A 9 -8.868 -16.092 3.597 1.00 0.00 O ATOM 0 H SER A 9 -11.543 -14.953 1.961 1.00 0.00 H new ATOM 0 HA SER A 9 -11.272 -13.945 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.064 -14.794 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.243 -16.089 5.133 1.00 0.00 H new ATOM 0 HG SER A 9 -8.541 -15.478 2.907 1.00 0.00 H new ATOM 103 N LYS A 10 -10.574 -12.271 2.785 1.00 0.00 N ATOM 104 CA LYS A 10 -9.979 -11.189 2.019 1.00 0.00 C ATOM 105 C LYS A 10 -9.717 -9.999 2.943 1.00 0.00 C ATOM 106 O LYS A 10 -10.298 -9.909 4.024 1.00 0.00 O ATOM 107 CB LYS A 10 -10.849 -10.848 0.808 1.00 0.00 C ATOM 108 CG LYS A 10 -10.517 -11.755 -0.379 1.00 0.00 C ATOM 109 CD LYS A 10 -10.835 -11.060 -1.705 1.00 0.00 C ATOM 110 CE LYS A 10 -10.089 -11.724 -2.864 1.00 0.00 C ATOM 111 NZ LYS A 10 -11.024 -12.507 -3.702 1.00 0.00 N ATOM 0 H LYS A 10 -11.507 -12.074 3.147 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.015 -11.495 1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.902 -10.956 1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.696 -9.806 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.462 -12.026 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.086 -12.681 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.909 -11.096 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.557 -10.008 -1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.597 -10.964 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.307 -12.376 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.501 -12.951 -4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.474 -13.245 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.755 -11.876 -4.089 1.00 0.00 H new ATOM 125 N VAL A 11 -8.844 -9.115 2.485 1.00 0.00 N ATOM 126 CA VAL A 11 -8.499 -7.933 3.257 1.00 0.00 C ATOM 127 C VAL A 11 -8.477 -6.714 2.334 1.00 0.00 C ATOM 128 O VAL A 11 -7.945 -6.778 1.226 1.00 0.00 O ATOM 129 CB VAL A 11 -7.172 -8.154 3.987 1.00 0.00 C ATOM 130 CG1 VAL A 11 -7.289 -9.292 5.004 1.00 0.00 C ATOM 131 CG2 VAL A 11 -6.038 -8.420 2.995 1.00 0.00 C ATOM 0 H VAL A 11 -8.364 -9.193 1.588 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.250 -7.746 4.024 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.933 -7.241 4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.333 -9.429 5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.055 -9.046 5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.562 -10.213 4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.107 -8.574 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.268 -9.311 2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.931 -7.565 2.327 1.00 0.00 H new ATOM 141 N SER A 12 -9.061 -5.630 2.823 1.00 0.00 N ATOM 142 CA SER A 12 -9.116 -4.397 2.056 1.00 0.00 C ATOM 143 C SER A 12 -8.126 -3.381 2.628 1.00 0.00 C ATOM 144 O SER A 12 -8.145 -3.096 3.825 1.00 0.00 O ATOM 145 CB SER A 12 -10.530 -3.815 2.048 1.00 0.00 C ATOM 146 OG SER A 12 -11.149 -3.898 3.329 1.00 0.00 O ATOM 0 H SER A 12 -9.501 -5.580 3.742 1.00 0.00 H new ATOM 0 HA SER A 12 -8.841 -4.623 1.026 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.491 -2.773 1.731 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.137 -4.348 1.317 1.00 0.00 H new ATOM 0 HG SER A 12 -12.050 -3.514 3.283 1.00 0.00 H new ATOM 152 N PHE A 13 -7.285 -2.861 1.746 1.00 0.00 N ATOM 153 CA PHE A 13 -6.289 -1.882 2.149 1.00 0.00 C ATOM 154 C PHE A 13 -6.744 -0.463 1.801 1.00 0.00 C ATOM 155 O PHE A 13 -7.006 -0.158 0.639 1.00 0.00 O ATOM 156 CB PHE A 13 -5.010 -2.199 1.372 1.00 0.00 C ATOM 157 CG PHE A 13 -4.715 -3.695 1.244 1.00 0.00 C ATOM 158 CD1 PHE A 13 -5.245 -4.407 0.214 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.922 -4.312 2.161 1.00 0.00 C ATOM 160 CE1 PHE A 13 -4.971 -5.795 0.095 1.00 0.00 C ATOM 161 CE2 PHE A 13 -3.648 -5.700 2.042 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.178 -6.412 1.011 1.00 0.00 C ATOM 0 H PHE A 13 -7.273 -3.099 0.754 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.133 -1.932 3.227 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.087 -1.767 0.374 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.168 -1.714 1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.875 -3.917 -0.514 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.501 -3.746 2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.392 -6.361 -0.723 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.019 -6.191 2.770 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.969 -7.468 0.920 1.00 0.00 H new ATOM 172 N LYS A 14 -6.824 0.368 2.831 1.00 0.00 N ATOM 173 CA LYS A 14 -7.243 1.747 2.649 1.00 0.00 C ATOM 174 C LYS A 14 -6.006 2.642 2.546 1.00 0.00 C ATOM 175 O LYS A 14 -5.454 3.062 3.561 1.00 0.00 O ATOM 176 CB LYS A 14 -8.213 2.163 3.756 1.00 0.00 C ATOM 177 CG LYS A 14 -9.279 3.121 3.220 1.00 0.00 C ATOM 178 CD LYS A 14 -9.920 3.919 4.357 1.00 0.00 C ATOM 179 CE LYS A 14 -11.436 3.714 4.384 1.00 0.00 C ATOM 180 NZ LYS A 14 -11.782 2.508 5.168 1.00 0.00 N ATOM 0 H LYS A 14 -6.606 0.112 3.794 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.795 1.857 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.692 1.279 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.663 2.642 4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.830 3.804 2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.046 2.557 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.491 3.610 5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.695 4.978 4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.919 4.589 4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.814 3.614 3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.815 2.384 5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.336 1.674 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.439 2.618 6.144 1.00 0.00 H new ATOM 194 N ILE A 15 -5.607 2.906 1.311 1.00 0.00 N ATOM 195 CA ILE A 15 -4.446 3.743 1.062 1.00 0.00 C ATOM 196 C ILE A 15 -4.865 4.955 0.228 1.00 0.00 C ATOM 197 O ILE A 15 -5.857 4.901 -0.497 1.00 0.00 O ATOM 198 CB ILE A 15 -3.319 2.922 0.431 1.00 0.00 C ATOM 199 CG1 ILE A 15 -2.867 1.801 1.369 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.155 3.822 0.010 1.00 0.00 C ATOM 201 CD1 ILE A 15 -2.457 0.557 0.578 1.00 0.00 C ATOM 0 H ILE A 15 -6.067 2.555 0.471 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.044 4.125 2.000 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.704 2.450 -0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.028 2.144 1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.674 1.549 2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.368 3.214 -0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.505 4.553 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.762 4.341 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.140 -0.225 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.305 0.202 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.633 0.806 -0.091 1.00 0.00 H new ATOM 213 N THR A 16 -4.088 6.021 0.359 1.00 0.00 N ATOM 214 CA THR A 16 -4.366 7.244 -0.374 1.00 0.00 C ATOM 215 C THR A 16 -3.108 7.732 -1.095 1.00 0.00 C ATOM 216 O THR A 16 -2.030 7.782 -0.504 1.00 0.00 O ATOM 217 CB THR A 16 -4.937 8.266 0.611 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.285 7.846 0.805 1.00 0.00 O ATOM 219 CG2 THR A 16 -5.066 9.662 -0.002 1.00 0.00 C ATOM 0 H THR A 16 -3.266 6.062 0.962 1.00 0.00 H new ATOM 0 HA THR A 16 -5.106 7.076 -1.156 1.00 0.00 H new ATOM 0 HB THR A 16 -4.299 8.315 1.493 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.730 8.453 1.433 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.476 10.348 0.739 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.083 10.013 -0.317 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.731 9.620 -0.865 1.00 0.00 H new ATOM 227 N LEU A 17 -3.287 8.079 -2.361 1.00 0.00 N ATOM 228 CA LEU A 17 -2.180 8.562 -3.168 1.00 0.00 C ATOM 229 C LEU A 17 -1.744 9.937 -2.659 1.00 0.00 C ATOM 230 O LEU A 17 -2.582 10.768 -2.311 1.00 0.00 O ATOM 231 CB LEU A 17 -2.551 8.544 -4.652 1.00 0.00 C ATOM 232 CG LEU A 17 -1.739 9.473 -5.558 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.377 8.861 -5.890 1.00 0.00 C ATOM 234 CD2 LEU A 17 -2.527 9.836 -6.818 1.00 0.00 C ATOM 0 H LEU A 17 -4.182 8.035 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.320 7.899 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.443 7.524 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.605 8.807 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.552 10.401 -5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.180 9.541 -6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.182 8.695 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.521 7.910 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.928 10.497 -7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.765 8.928 -7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.450 10.342 -6.536 1.00 0.00 H new ATOM 246 N THR A 18 -0.434 10.136 -2.632 1.00 0.00 N ATOM 247 CA THR A 18 0.122 11.396 -2.172 1.00 0.00 C ATOM 248 C THR A 18 1.098 11.959 -3.208 1.00 0.00 C ATOM 249 O THR A 18 2.132 11.353 -3.485 1.00 0.00 O ATOM 250 CB THR A 18 0.761 11.159 -0.802 1.00 0.00 C ATOM 251 OG1 THR A 18 2.010 10.541 -1.104 1.00 0.00 O ATOM 252 CG2 THR A 18 0.013 10.106 0.018 1.00 0.00 C ATOM 0 H THR A 18 0.258 9.445 -2.922 1.00 0.00 H new ATOM 0 HA THR A 18 -0.655 12.152 -2.058 1.00 0.00 H new ATOM 0 HB THR A 18 0.791 12.097 -0.248 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.080 10.400 -2.071 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.507 9.976 0.981 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.014 10.432 0.179 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.012 9.158 -0.521 1.00 0.00 H new ATOM 260 N SER A 19 0.733 13.110 -3.753 1.00 0.00 N ATOM 261 CA SER A 19 1.563 13.761 -4.752 1.00 0.00 C ATOM 262 C SER A 19 0.761 14.847 -5.471 1.00 0.00 C ATOM 263 O SER A 19 1.319 15.857 -5.898 1.00 0.00 O ATOM 264 CB SER A 19 2.107 12.747 -5.761 1.00 0.00 C ATOM 265 OG SER A 19 1.164 11.718 -6.045 1.00 0.00 O ATOM 0 H SER A 19 -0.126 13.608 -3.522 1.00 0.00 H new ATOM 0 HA SER A 19 2.412 14.220 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.372 13.261 -6.685 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.022 12.302 -5.370 1.00 0.00 H new ATOM 0 HG SER A 19 1.296 11.397 -6.962 1.00 0.00 H new ATOM 271 N ASP A 20 -0.537 14.603 -5.584 1.00 0.00 N ATOM 272 CA ASP A 20 -1.421 15.548 -6.244 1.00 0.00 C ATOM 273 C ASP A 20 -2.383 16.144 -5.215 1.00 0.00 C ATOM 274 O ASP A 20 -2.672 15.521 -4.195 1.00 0.00 O ATOM 275 CB ASP A 20 -2.255 14.858 -7.326 1.00 0.00 C ATOM 276 CG ASP A 20 -2.336 15.609 -8.657 1.00 0.00 C ATOM 277 OD1 ASP A 20 -1.334 16.276 -8.994 1.00 0.00 O ATOM 278 OD2 ASP A 20 -3.399 15.499 -9.306 1.00 0.00 O ATOM 0 H ASP A 20 -0.997 13.765 -5.229 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.806 16.323 -6.701 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.837 13.868 -7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.266 14.712 -6.946 1.00 0.00 H new ATOM 283 N PRO A 21 -2.865 17.377 -5.526 1.00 0.00 N ATOM 284 CA PRO A 21 -3.789 18.065 -4.640 1.00 0.00 C ATOM 285 C PRO A 21 -5.190 17.457 -4.728 1.00 0.00 C ATOM 286 O PRO A 21 -6.160 18.161 -5.005 1.00 0.00 O ATOM 287 CB PRO A 21 -3.744 19.520 -5.078 1.00 0.00 C ATOM 288 CG PRO A 21 -3.159 19.515 -6.481 1.00 0.00 C ATOM 289 CD PRO A 21 -2.546 18.146 -6.725 1.00 0.00 C ATOM 0 HA PRO A 21 -3.514 17.970 -3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.741 19.961 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.129 20.113 -4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.934 19.723 -7.219 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.404 20.295 -6.583 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.963 17.679 -7.617 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.469 18.216 -6.875 1.00 0.00 H new ATOM 297 N ARG A 22 -5.251 16.155 -4.489 1.00 0.00 N ATOM 298 CA ARG A 22 -6.517 15.444 -4.538 1.00 0.00 C ATOM 299 C ARG A 22 -6.578 14.391 -3.430 1.00 0.00 C ATOM 300 O ARG A 22 -7.583 14.279 -2.729 1.00 0.00 O ATOM 301 CB ARG A 22 -6.713 14.760 -5.893 1.00 0.00 C ATOM 302 CG ARG A 22 -6.804 15.791 -7.019 1.00 0.00 C ATOM 303 CD ARG A 22 -8.257 16.009 -7.447 1.00 0.00 C ATOM 304 NE ARG A 22 -8.519 15.306 -8.723 1.00 0.00 N ATOM 305 CZ ARG A 22 -9.587 15.533 -9.500 1.00 0.00 C ATOM 306 NH1 ARG A 22 -10.499 16.445 -9.136 1.00 0.00 N ATOM 307 NH2 ARG A 22 -9.743 14.848 -10.642 1.00 0.00 N ATOM 0 H ARG A 22 -4.444 15.574 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.313 16.175 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.883 14.079 -6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.621 14.158 -5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.373 16.736 -6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.216 15.455 -7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.932 15.641 -6.674 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.455 17.075 -7.562 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.845 14.605 -9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.380 16.966 -8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.312 16.618 -9.728 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.049 14.154 -10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.556 15.021 -11.233 1.00 0.00 H new ATOM 321 N LEU A 23 -5.490 13.646 -3.305 1.00 0.00 N ATOM 322 CA LEU A 23 -5.407 12.606 -2.294 1.00 0.00 C ATOM 323 C LEU A 23 -6.490 11.558 -2.556 1.00 0.00 C ATOM 324 O LEU A 23 -7.399 11.383 -1.746 1.00 0.00 O ATOM 325 CB LEU A 23 -5.467 13.216 -0.892 1.00 0.00 C ATOM 326 CG LEU A 23 -4.139 13.712 -0.318 1.00 0.00 C ATOM 327 CD1 LEU A 23 -3.089 12.599 -0.326 1.00 0.00 C ATOM 328 CD2 LEU A 23 -3.655 14.961 -1.057 1.00 0.00 C ATOM 0 H LEU A 23 -4.658 13.742 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.447 12.093 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.166 14.052 -0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.879 12.471 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.301 13.995 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.154 12.978 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.440 11.763 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.923 12.262 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.709 15.293 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.514 14.728 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.397 15.753 -0.957 1.00 0.00 H new ATOM 340 N PRO A 24 -6.355 10.870 -3.721 1.00 0.00 N ATOM 341 CA PRO A 24 -7.311 9.844 -4.100 1.00 0.00 C ATOM 342 C PRO A 24 -7.100 8.568 -3.282 1.00 0.00 C ATOM 343 O PRO A 24 -5.964 8.161 -3.043 1.00 0.00 O ATOM 344 CB PRO A 24 -7.096 9.636 -5.591 1.00 0.00 C ATOM 345 CG PRO A 24 -5.722 10.211 -5.897 1.00 0.00 C ATOM 346 CD PRO A 24 -5.291 11.050 -4.705 1.00 0.00 C ATOM 0 HA PRO A 24 -8.342 10.135 -3.897 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.143 8.578 -5.849 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.869 10.140 -6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.005 9.410 -6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.756 10.820 -6.800 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.329 10.718 -4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.178 12.099 -4.979 1.00 0.00 H new ATOM 354 N TYR A 25 -8.212 7.973 -2.876 1.00 0.00 N ATOM 355 CA TYR A 25 -8.162 6.752 -2.090 1.00 0.00 C ATOM 356 C TYR A 25 -8.953 5.631 -2.769 1.00 0.00 C ATOM 357 O TYR A 25 -9.902 5.894 -3.505 1.00 0.00 O ATOM 358 CB TYR A 25 -8.822 7.086 -0.751 1.00 0.00 C ATOM 359 CG TYR A 25 -10.351 7.050 -0.784 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.019 5.865 -0.552 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.062 8.204 -1.045 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.458 5.832 -0.584 1.00 0.00 C ATOM 363 CE2 TYR A 25 -12.501 8.171 -1.076 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.128 6.987 -0.844 1.00 0.00 C ATOM 365 OH TYR A 25 -14.488 6.956 -0.873 1.00 0.00 O ATOM 0 H TYR A 25 -9.152 8.313 -3.076 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.133 6.410 -1.976 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.469 6.382 0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.499 8.078 -0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.462 4.963 -0.346 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.539 9.131 -1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.993 4.911 -0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.070 9.066 -1.279 1.00 0.00 H new ATOM 0 HH TYR A 25 -14.832 7.853 -1.069 1.00 0.00 H new ATOM 375 N LYS A 26 -8.531 4.405 -2.496 1.00 0.00 N ATOM 376 CA LYS A 26 -9.188 3.243 -3.071 1.00 0.00 C ATOM 377 C LYS A 26 -8.846 2.005 -2.239 1.00 0.00 C ATOM 378 O LYS A 26 -7.698 1.820 -1.837 1.00 0.00 O ATOM 379 CB LYS A 26 -8.832 3.104 -4.553 1.00 0.00 C ATOM 380 CG LYS A 26 -7.397 2.602 -4.727 1.00 0.00 C ATOM 381 CD LYS A 26 -7.379 1.138 -5.172 1.00 0.00 C ATOM 382 CE LYS A 26 -5.962 0.694 -5.538 1.00 0.00 C ATOM 383 NZ LYS A 26 -5.265 0.151 -4.351 1.00 0.00 N ATOM 0 H LYS A 26 -7.743 4.191 -1.885 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.271 3.363 -3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.524 2.412 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.947 4.067 -5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.880 3.216 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.855 2.707 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.767 0.506 -4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.038 1.007 -6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.003 -0.063 -6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.403 1.539 -5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.481 0.782 -4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.933 0.082 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.890 -0.794 -4.571 1.00 0.00 H new ATOM 397 N VAL A 27 -9.864 1.190 -2.004 1.00 0.00 N ATOM 398 CA VAL A 27 -9.686 -0.024 -1.226 1.00 0.00 C ATOM 399 C VAL A 27 -9.486 -1.208 -2.175 1.00 0.00 C ATOM 400 O VAL A 27 -10.336 -1.480 -3.022 1.00 0.00 O ATOM 401 CB VAL A 27 -10.868 -0.214 -0.274 1.00 0.00 C ATOM 402 CG1 VAL A 27 -11.046 1.007 0.630 1.00 0.00 C ATOM 403 CG2 VAL A 27 -12.153 -0.514 -1.049 1.00 0.00 C ATOM 0 H VAL A 27 -10.815 1.347 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.794 0.049 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.651 -1.073 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.893 0.846 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.142 1.157 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.230 1.890 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.978 -0.645 -0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.375 0.315 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.023 -1.427 -1.631 1.00 0.00 H new ATOM 413 N LEU A 28 -8.357 -1.880 -2.003 1.00 0.00 N ATOM 414 CA LEU A 28 -8.035 -3.028 -2.833 1.00 0.00 C ATOM 415 C LEU A 28 -8.391 -4.312 -2.081 1.00 0.00 C ATOM 416 O LEU A 28 -7.940 -4.521 -0.956 1.00 0.00 O ATOM 417 CB LEU A 28 -6.576 -2.966 -3.289 1.00 0.00 C ATOM 418 CG LEU A 28 -6.281 -3.550 -4.672 1.00 0.00 C ATOM 419 CD1 LEU A 28 -4.781 -3.789 -4.858 1.00 0.00 C ATOM 420 CD2 LEU A 28 -7.097 -4.821 -4.917 1.00 0.00 C ATOM 0 H LEU A 28 -7.654 -1.651 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.631 -3.018 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.257 -1.924 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.964 -3.492 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.587 -2.821 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.599 -4.204 -5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.247 -2.844 -4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.427 -4.489 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.868 -5.215 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.845 -5.566 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.160 -4.588 -4.856 1.00 0.00 H new ATOM 432 N SER A 29 -9.196 -5.138 -2.733 1.00 0.00 N ATOM 433 CA SER A 29 -9.617 -6.395 -2.140 1.00 0.00 C ATOM 434 C SER A 29 -8.783 -7.546 -2.707 1.00 0.00 C ATOM 435 O SER A 29 -8.830 -7.820 -3.905 1.00 0.00 O ATOM 436 CB SER A 29 -11.106 -6.648 -2.384 1.00 0.00 C ATOM 437 OG SER A 29 -11.648 -7.585 -1.457 1.00 0.00 O ATOM 0 H SER A 29 -9.568 -4.961 -3.666 1.00 0.00 H new ATOM 0 HA SER A 29 -9.458 -6.335 -1.063 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.651 -5.707 -2.308 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.249 -7.018 -3.399 1.00 0.00 H new ATOM 0 HG SER A 29 -12.601 -7.718 -1.645 1.00 0.00 H new ATOM 443 N VAL A 30 -8.040 -8.190 -1.818 1.00 0.00 N ATOM 444 CA VAL A 30 -7.197 -9.305 -2.215 1.00 0.00 C ATOM 445 C VAL A 30 -7.223 -10.373 -1.120 1.00 0.00 C ATOM 446 O VAL A 30 -7.583 -10.089 0.021 1.00 0.00 O ATOM 447 CB VAL A 30 -5.785 -8.807 -2.531 1.00 0.00 C ATOM 448 CG1 VAL A 30 -5.829 -7.491 -3.309 1.00 0.00 C ATOM 449 CG2 VAL A 30 -4.957 -8.661 -1.253 1.00 0.00 C ATOM 0 H VAL A 30 -8.005 -7.961 -0.825 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.577 -9.765 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.300 -9.552 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.812 -7.159 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.365 -7.640 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.341 -6.734 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.958 -8.306 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.439 -7.945 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.883 -9.628 -0.755 1.00 0.00 H new ATOM 459 N PRO A 31 -6.827 -11.612 -1.516 1.00 0.00 N ATOM 460 CA PRO A 31 -6.802 -12.725 -0.582 1.00 0.00 C ATOM 461 C PRO A 31 -5.611 -12.612 0.373 1.00 0.00 C ATOM 462 O PRO A 31 -4.503 -12.285 -0.048 1.00 0.00 O ATOM 463 CB PRO A 31 -6.749 -13.969 -1.453 1.00 0.00 C ATOM 464 CG PRO A 31 -6.279 -13.501 -2.820 1.00 0.00 C ATOM 465 CD PRO A 31 -6.395 -11.986 -2.860 1.00 0.00 C ATOM 0 HA PRO A 31 -7.676 -12.748 0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.065 -14.708 -1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.729 -14.442 -1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.248 -13.810 -2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.885 -13.951 -3.607 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.442 -11.522 -3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.116 -11.664 -3.612 1.00 0.00 H new ATOM 473 N GLU A 32 -5.882 -12.888 1.640 1.00 0.00 N ATOM 474 CA GLU A 32 -4.847 -12.822 2.658 1.00 0.00 C ATOM 475 C GLU A 32 -3.597 -13.573 2.194 1.00 0.00 C ATOM 476 O GLU A 32 -2.512 -12.997 2.125 1.00 0.00 O ATOM 477 CB GLU A 32 -5.354 -13.372 3.992 1.00 0.00 C ATOM 478 CG GLU A 32 -6.469 -12.492 4.560 1.00 0.00 C ATOM 479 CD GLU A 32 -6.787 -12.877 6.007 1.00 0.00 C ATOM 480 OE1 GLU A 32 -5.823 -13.201 6.733 1.00 0.00 O ATOM 481 OE2 GLU A 32 -7.988 -12.837 6.353 1.00 0.00 O ATOM 0 H GLU A 32 -6.803 -13.158 1.985 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.582 -11.776 2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.723 -14.388 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.530 -13.426 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.169 -11.445 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.365 -12.593 3.948 1.00 0.00 H new ATOM 488 N SER A 33 -3.791 -14.847 1.888 1.00 0.00 N ATOM 489 CA SER A 33 -2.694 -15.683 1.432 1.00 0.00 C ATOM 490 C SER A 33 -1.747 -14.868 0.549 1.00 0.00 C ATOM 491 O SER A 33 -0.565 -14.730 0.861 1.00 0.00 O ATOM 492 CB SER A 33 -3.211 -16.905 0.670 1.00 0.00 C ATOM 493 OG SER A 33 -2.164 -17.818 0.351 1.00 0.00 O ATOM 0 H SER A 33 -4.692 -15.321 1.947 1.00 0.00 H new ATOM 0 HA SER A 33 -2.149 -16.039 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.965 -17.414 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.700 -16.579 -0.248 1.00 0.00 H new ATOM 0 HG SER A 33 -2.535 -18.585 -0.133 1.00 0.00 H new ATOM 499 N THR A 34 -2.301 -14.350 -0.537 1.00 0.00 N ATOM 500 CA THR A 34 -1.521 -13.553 -1.468 1.00 0.00 C ATOM 501 C THR A 34 -0.624 -12.573 -0.709 1.00 0.00 C ATOM 502 O THR A 34 -1.002 -12.069 0.347 1.00 0.00 O ATOM 503 CB THR A 34 -2.492 -12.866 -2.431 1.00 0.00 C ATOM 504 OG1 THR A 34 -2.886 -13.903 -3.326 1.00 0.00 O ATOM 505 CG2 THR A 34 -1.797 -11.841 -3.331 1.00 0.00 C ATOM 0 H THR A 34 -3.281 -14.467 -0.793 1.00 0.00 H new ATOM 0 HA THR A 34 -0.846 -14.177 -2.054 1.00 0.00 H new ATOM 0 HB THR A 34 -3.280 -12.374 -1.862 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.388 -13.517 -4.074 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.530 -11.383 -3.995 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.334 -11.070 -2.715 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.031 -12.339 -3.925 1.00 0.00 H new ATOM 513 N PRO A 35 0.580 -12.327 -1.292 1.00 0.00 N ATOM 514 CA PRO A 35 1.535 -11.418 -0.682 1.00 0.00 C ATOM 515 C PRO A 35 1.106 -9.962 -0.875 1.00 0.00 C ATOM 516 O PRO A 35 0.515 -9.615 -1.897 1.00 0.00 O ATOM 517 CB PRO A 35 2.864 -11.738 -1.348 1.00 0.00 C ATOM 518 CG PRO A 35 2.520 -12.485 -2.626 1.00 0.00 C ATOM 519 CD PRO A 35 1.063 -12.907 -2.542 1.00 0.00 C ATOM 0 HA PRO A 35 1.605 -11.545 0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.421 -10.827 -1.566 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.491 -12.347 -0.696 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.683 -11.849 -3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.164 -13.357 -2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.494 -12.538 -3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.965 -13.993 -2.539 1.00 0.00 H new ATOM 527 N PHE A 36 1.419 -9.149 0.123 1.00 0.00 N ATOM 528 CA PHE A 36 1.072 -7.739 0.077 1.00 0.00 C ATOM 529 C PHE A 36 1.855 -7.018 -1.023 1.00 0.00 C ATOM 530 O PHE A 36 1.457 -5.944 -1.472 1.00 0.00 O ATOM 531 CB PHE A 36 1.451 -7.140 1.432 1.00 0.00 C ATOM 532 CG PHE A 36 0.637 -5.902 1.815 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.898 -4.706 1.222 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.346 -5.997 2.750 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.142 -3.558 1.577 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.102 -4.849 3.105 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.841 -3.653 2.511 1.00 0.00 C ATOM 0 H PHE A 36 1.909 -9.440 0.969 1.00 0.00 H new ATOM 0 HA PHE A 36 0.009 -7.624 -0.135 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.322 -7.900 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.509 -6.877 1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.680 -4.630 0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.552 -6.946 3.223 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.348 -2.609 1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.884 -4.925 3.846 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.415 -2.779 2.782 1.00 0.00 H new ATOM 547 N THR A 37 2.956 -7.637 -1.424 1.00 0.00 N ATOM 548 CA THR A 37 3.798 -7.068 -2.462 1.00 0.00 C ATOM 549 C THR A 37 2.995 -6.862 -3.748 1.00 0.00 C ATOM 550 O THR A 37 3.216 -5.894 -4.474 1.00 0.00 O ATOM 551 CB THR A 37 5.010 -7.985 -2.643 1.00 0.00 C ATOM 552 OG1 THR A 37 5.952 -7.180 -3.347 1.00 0.00 O ATOM 553 CG2 THR A 37 4.727 -9.148 -3.596 1.00 0.00 C ATOM 0 H THR A 37 3.284 -8.527 -1.049 1.00 0.00 H new ATOM 0 HA THR A 37 4.159 -6.079 -2.180 1.00 0.00 H new ATOM 0 HB THR A 37 5.317 -8.377 -1.673 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.770 -7.696 -3.505 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.619 -9.767 -3.689 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.907 -9.749 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.453 -8.757 -4.576 1.00 0.00 H new ATOM 561 N ALA A 38 2.079 -7.789 -3.991 1.00 0.00 N ATOM 562 CA ALA A 38 1.242 -7.721 -5.176 1.00 0.00 C ATOM 563 C ALA A 38 0.325 -6.500 -5.078 1.00 0.00 C ATOM 564 O ALA A 38 0.119 -5.793 -6.063 1.00 0.00 O ATOM 565 CB ALA A 38 0.460 -9.027 -5.324 1.00 0.00 C ATOM 0 H ALA A 38 1.899 -8.591 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 38 1.853 -7.604 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.168 -8.976 -6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.157 -9.860 -5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.167 -9.177 -4.445 1.00 0.00 H new ATOM 571 N VAL A 39 -0.202 -6.290 -3.881 1.00 0.00 N ATOM 572 CA VAL A 39 -1.092 -5.167 -3.641 1.00 0.00 C ATOM 573 C VAL A 39 -0.467 -3.894 -4.216 1.00 0.00 C ATOM 574 O VAL A 39 -1.179 -2.983 -4.634 1.00 0.00 O ATOM 575 CB VAL A 39 -1.406 -5.057 -2.148 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.315 -3.859 -1.865 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.026 -6.353 -1.621 1.00 0.00 C ATOM 0 H VAL A 39 -0.030 -6.879 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.044 -5.320 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.466 -4.896 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.523 -3.804 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.820 -2.943 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.251 -3.976 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.240 -6.248 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.952 -6.558 -2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.329 -7.177 -1.771 1.00 0.00 H new ATOM 587 N LEU A 40 0.858 -3.873 -4.218 1.00 0.00 N ATOM 588 CA LEU A 40 1.588 -2.727 -4.734 1.00 0.00 C ATOM 589 C LEU A 40 1.335 -2.603 -6.238 1.00 0.00 C ATOM 590 O LEU A 40 0.749 -1.622 -6.694 1.00 0.00 O ATOM 591 CB LEU A 40 3.069 -2.825 -4.365 1.00 0.00 C ATOM 592 CG LEU A 40 3.917 -1.585 -4.660 1.00 0.00 C ATOM 593 CD1 LEU A 40 4.456 -1.618 -6.091 1.00 0.00 C ATOM 594 CD2 LEU A 40 3.132 -0.304 -4.372 1.00 0.00 C ATOM 0 H LEU A 40 1.445 -4.631 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 40 1.229 -1.807 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.144 -3.047 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.501 -3.672 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 40 4.778 -1.592 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.055 -0.726 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.075 -2.505 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.623 -1.647 -6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.757 0.562 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.240 -0.275 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.839 -0.285 -3.322 1.00 0.00 H new ATOM 606 N LYS A 41 1.790 -3.611 -6.967 1.00 0.00 N ATOM 607 CA LYS A 41 1.622 -3.628 -8.410 1.00 0.00 C ATOM 608 C LYS A 41 0.151 -3.374 -8.750 1.00 0.00 C ATOM 609 O LYS A 41 -0.162 -2.485 -9.540 1.00 0.00 O ATOM 610 CB LYS A 41 2.174 -4.927 -9.000 1.00 0.00 C ATOM 611 CG LYS A 41 3.703 -4.950 -8.938 1.00 0.00 C ATOM 612 CD LYS A 41 4.239 -6.363 -9.178 1.00 0.00 C ATOM 613 CE LYS A 41 4.651 -6.553 -10.639 1.00 0.00 C ATOM 614 NZ LYS A 41 6.124 -6.645 -10.755 1.00 0.00 N ATOM 0 H LYS A 41 2.275 -4.423 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 41 2.200 -2.827 -8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.771 -5.779 -8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.847 -5.029 -10.035 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.111 -4.270 -9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.037 -4.591 -7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.095 -6.546 -8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.476 -7.095 -8.914 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.192 -7.458 -11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.285 -5.719 -11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.386 -6.774 -11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.556 -5.771 -10.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.466 -7.455 -10.200 1.00 0.00 H new ATOM 628 N PHE A 42 -0.711 -4.172 -8.137 1.00 0.00 N ATOM 629 CA PHE A 42 -2.140 -4.045 -8.364 1.00 0.00 C ATOM 630 C PHE A 42 -2.617 -2.620 -8.077 1.00 0.00 C ATOM 631 O PHE A 42 -3.143 -1.947 -8.962 1.00 0.00 O ATOM 632 CB PHE A 42 -2.834 -5.007 -7.398 1.00 0.00 C ATOM 633 CG PHE A 42 -4.229 -5.444 -7.850 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.130 -4.515 -8.270 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.569 -6.761 -7.831 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.424 -4.921 -8.689 1.00 0.00 C ATOM 637 CE2 PHE A 42 -5.863 -7.166 -8.250 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.764 -6.238 -8.670 1.00 0.00 C ATOM 0 H PHE A 42 -0.447 -4.909 -7.483 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.373 -4.274 -9.404 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.210 -5.892 -7.272 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.913 -4.531 -6.421 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.861 -3.469 -8.285 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.854 -7.498 -7.497 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.139 -4.184 -9.023 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.132 -8.212 -8.235 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.749 -6.546 -8.988 1.00 0.00 H new ATOM 648 N ALA A 43 -2.416 -2.202 -6.835 1.00 0.00 N ATOM 649 CA ALA A 43 -2.819 -0.870 -6.420 1.00 0.00 C ATOM 650 C ALA A 43 -2.315 0.152 -7.441 1.00 0.00 C ATOM 651 O ALA A 43 -3.054 1.049 -7.844 1.00 0.00 O ATOM 652 CB ALA A 43 -2.292 -0.593 -5.010 1.00 0.00 C ATOM 0 H ALA A 43 -1.979 -2.763 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.906 -0.792 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.594 0.407 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.702 -1.328 -4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.204 -0.660 -5.009 1.00 0.00 H new ATOM 658 N ALA A 44 -1.060 -0.017 -7.830 1.00 0.00 N ATOM 659 CA ALA A 44 -0.449 0.879 -8.797 1.00 0.00 C ATOM 660 C ALA A 44 -1.374 1.027 -10.006 1.00 0.00 C ATOM 661 O ALA A 44 -1.940 2.096 -10.233 1.00 0.00 O ATOM 662 CB ALA A 44 0.934 0.349 -9.182 1.00 0.00 C ATOM 0 H ALA A 44 -0.449 -0.761 -7.493 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.310 1.870 -8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.392 1.021 -9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.562 0.292 -8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.834 -0.644 -9.620 1.00 0.00 H new ATOM 668 N GLU A 45 -1.501 -0.062 -10.751 1.00 0.00 N ATOM 669 CA GLU A 45 -2.348 -0.067 -11.931 1.00 0.00 C ATOM 670 C GLU A 45 -3.675 0.635 -11.635 1.00 0.00 C ATOM 671 O GLU A 45 -4.108 1.498 -12.397 1.00 0.00 O ATOM 672 CB GLU A 45 -2.583 -1.494 -12.431 1.00 0.00 C ATOM 673 CG GLU A 45 -1.491 -1.916 -13.416 1.00 0.00 C ATOM 674 CD GLU A 45 -1.810 -1.429 -14.831 1.00 0.00 C ATOM 675 OE1 GLU A 45 -2.956 -1.668 -15.268 1.00 0.00 O ATOM 676 OE2 GLU A 45 -0.901 -0.828 -15.443 1.00 0.00 O ATOM 0 H GLU A 45 -1.031 -0.947 -10.560 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.838 0.481 -12.723 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.600 -2.181 -11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.558 -1.558 -12.914 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.531 -1.510 -13.096 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.395 -3.002 -13.414 1.00 0.00 H new ATOM 683 N GLU A 46 -4.283 0.240 -10.526 1.00 0.00 N ATOM 684 CA GLU A 46 -5.551 0.820 -10.120 1.00 0.00 C ATOM 685 C GLU A 46 -5.443 2.345 -10.063 1.00 0.00 C ATOM 686 O GLU A 46 -6.253 3.051 -10.662 1.00 0.00 O ATOM 687 CB GLU A 46 -6.008 0.253 -8.774 1.00 0.00 C ATOM 688 CG GLU A 46 -7.094 -0.807 -8.967 1.00 0.00 C ATOM 689 CD GLU A 46 -8.426 -0.341 -8.375 1.00 0.00 C ATOM 690 OE1 GLU A 46 -9.142 0.389 -9.095 1.00 0.00 O ATOM 691 OE2 GLU A 46 -8.699 -0.725 -7.217 1.00 0.00 O ATOM 0 H GLU A 46 -3.920 -0.475 -9.896 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.303 0.555 -10.863 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.157 -0.184 -8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.388 1.059 -8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.218 -1.017 -10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.787 -1.739 -8.492 1.00 0.00 H new ATOM 698 N PHE A 47 -4.435 2.809 -9.338 1.00 0.00 N ATOM 699 CA PHE A 47 -4.211 4.237 -9.196 1.00 0.00 C ATOM 700 C PHE A 47 -3.576 4.821 -10.459 1.00 0.00 C ATOM 701 O PHE A 47 -3.378 6.031 -10.556 1.00 0.00 O ATOM 702 CB PHE A 47 -3.247 4.424 -8.022 1.00 0.00 C ATOM 703 CG PHE A 47 -3.938 4.715 -6.689 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.573 5.902 -6.497 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.918 3.786 -5.695 1.00 0.00 C ATOM 706 CE1 PHE A 47 -5.215 6.172 -5.259 1.00 0.00 C ATOM 707 CE2 PHE A 47 -4.560 4.056 -4.458 1.00 0.00 C ATOM 708 CZ PHE A 47 -5.195 5.243 -4.266 1.00 0.00 C ATOM 0 H PHE A 47 -3.765 2.221 -8.843 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.160 4.747 -9.029 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.641 3.524 -7.916 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.565 5.243 -8.252 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.589 6.640 -7.286 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.414 2.843 -5.847 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.719 7.115 -5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.544 3.318 -3.669 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.683 5.448 -3.325 1.00 0.00 H new ATOM 718 N LYS A 48 -3.275 3.934 -11.396 1.00 0.00 N ATOM 719 CA LYS A 48 -2.667 4.346 -12.650 1.00 0.00 C ATOM 720 C LYS A 48 -1.345 5.061 -12.360 1.00 0.00 C ATOM 721 O LYS A 48 -1.224 6.264 -12.586 1.00 0.00 O ATOM 722 CB LYS A 48 -3.650 5.181 -13.473 1.00 0.00 C ATOM 723 CG LYS A 48 -4.609 4.283 -14.256 1.00 0.00 C ATOM 724 CD LYS A 48 -5.266 5.052 -15.404 1.00 0.00 C ATOM 725 CE LYS A 48 -6.762 4.741 -15.487 1.00 0.00 C ATOM 726 NZ LYS A 48 -7.053 3.907 -16.675 1.00 0.00 N ATOM 0 H LYS A 48 -3.441 2.931 -11.312 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.432 3.476 -13.263 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.217 5.837 -12.813 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.100 5.821 -14.163 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.067 3.424 -14.652 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.377 3.895 -13.587 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.121 6.123 -15.259 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.784 4.789 -16.345 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.082 4.222 -14.584 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.330 5.670 -15.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.072 3.705 -16.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.766 4.416 -17.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.526 3.013 -16.609 1.00 0.00 H new ATOM 740 N VAL A 49 -0.389 4.290 -11.863 1.00 0.00 N ATOM 741 CA VAL A 49 0.919 4.835 -11.540 1.00 0.00 C ATOM 742 C VAL A 49 2.003 3.885 -12.053 1.00 0.00 C ATOM 743 O VAL A 49 1.737 2.711 -12.305 1.00 0.00 O ATOM 744 CB VAL A 49 1.019 5.099 -10.036 1.00 0.00 C ATOM 745 CG1 VAL A 49 0.326 6.411 -9.662 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.445 3.929 -9.234 1.00 0.00 C ATOM 0 H VAL A 49 -0.494 3.293 -11.676 1.00 0.00 H new ATOM 0 HA VAL A 49 1.066 5.795 -12.036 1.00 0.00 H new ATOM 0 HB VAL A 49 2.075 5.193 -9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.412 6.574 -8.588 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.799 7.237 -10.194 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.727 6.358 -9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.529 4.143 -8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.604 3.789 -9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.001 3.021 -9.467 1.00 0.00 H new ATOM 756 N PRO A 50 3.235 4.444 -12.197 1.00 0.00 N ATOM 757 CA PRO A 50 4.360 3.660 -12.676 1.00 0.00 C ATOM 758 C PRO A 50 4.877 2.719 -11.586 1.00 0.00 C ATOM 759 O PRO A 50 4.908 3.082 -10.411 1.00 0.00 O ATOM 760 CB PRO A 50 5.394 4.684 -13.116 1.00 0.00 C ATOM 761 CG PRO A 50 5.003 5.988 -12.440 1.00 0.00 C ATOM 762 CD PRO A 50 3.587 5.831 -11.909 1.00 0.00 C ATOM 0 HA PRO A 50 4.092 3.003 -13.503 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.398 4.377 -12.822 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.399 4.793 -14.201 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.692 6.218 -11.628 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.056 6.816 -13.147 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.540 6.038 -10.840 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.902 6.523 -12.398 1.00 0.00 H new ATOM 770 N ALA A 51 5.269 1.528 -12.014 1.00 0.00 N ATOM 771 CA ALA A 51 5.783 0.532 -11.089 1.00 0.00 C ATOM 772 C ALA A 51 7.287 0.742 -10.904 1.00 0.00 C ATOM 773 O ALA A 51 8.072 -0.190 -11.068 1.00 0.00 O ATOM 774 CB ALA A 51 5.449 -0.868 -11.609 1.00 0.00 C ATOM 0 H ALA A 51 5.241 1.230 -12.989 1.00 0.00 H new ATOM 0 HA ALA A 51 5.313 0.637 -10.111 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.834 -1.615 -10.915 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.368 -0.976 -11.695 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.907 -1.011 -12.588 1.00 0.00 H new ATOM 780 N ALA A 52 7.643 1.972 -10.564 1.00 0.00 N ATOM 781 CA ALA A 52 9.039 2.316 -10.354 1.00 0.00 C ATOM 782 C ALA A 52 9.151 3.278 -9.169 1.00 0.00 C ATOM 783 O ALA A 52 9.916 3.034 -8.238 1.00 0.00 O ATOM 784 CB ALA A 52 9.618 2.907 -11.641 1.00 0.00 C ATOM 0 H ALA A 52 6.989 2.743 -10.429 1.00 0.00 H new ATOM 0 HA ALA A 52 9.621 1.427 -10.112 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.665 3.165 -11.484 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.542 2.174 -12.444 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.060 3.803 -11.913 1.00 0.00 H new ATOM 790 N THR A 53 8.376 4.350 -9.243 1.00 0.00 N ATOM 791 CA THR A 53 8.378 5.349 -8.189 1.00 0.00 C ATOM 792 C THR A 53 7.150 5.181 -7.292 1.00 0.00 C ATOM 793 O THR A 53 6.407 6.134 -7.065 1.00 0.00 O ATOM 794 CB THR A 53 8.467 6.729 -8.845 1.00 0.00 C ATOM 795 OG1 THR A 53 7.148 6.967 -9.330 1.00 0.00 O ATOM 796 CG2 THR A 53 9.333 6.723 -10.106 1.00 0.00 C ATOM 0 H THR A 53 7.742 4.548 -10.017 1.00 0.00 H new ATOM 0 HA THR A 53 9.240 5.229 -7.533 1.00 0.00 H new ATOM 0 HB THR A 53 8.872 7.446 -8.131 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.541 7.104 -8.573 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.363 7.726 -10.532 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.345 6.407 -9.851 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.910 6.032 -10.835 1.00 0.00 H new ATOM 804 N SER A 54 6.975 3.960 -6.806 1.00 0.00 N ATOM 805 CA SER A 54 5.850 3.655 -5.938 1.00 0.00 C ATOM 806 C SER A 54 6.292 2.704 -4.824 1.00 0.00 C ATOM 807 O SER A 54 7.028 1.750 -5.072 1.00 0.00 O ATOM 808 CB SER A 54 4.694 3.042 -6.731 1.00 0.00 C ATOM 809 OG SER A 54 4.851 1.637 -6.905 1.00 0.00 O ATOM 0 H SER A 54 7.593 3.171 -6.997 1.00 0.00 H new ATOM 0 HA SER A 54 5.498 4.586 -5.494 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.755 3.240 -6.215 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.629 3.523 -7.707 1.00 0.00 H new ATOM 0 HG SER A 54 4.092 1.284 -7.414 1.00 0.00 H new ATOM 815 N ALA A 55 5.824 2.997 -3.620 1.00 0.00 N ATOM 816 CA ALA A 55 6.162 2.180 -2.466 1.00 0.00 C ATOM 817 C ALA A 55 5.181 2.480 -1.330 1.00 0.00 C ATOM 818 O ALA A 55 4.745 3.618 -1.166 1.00 0.00 O ATOM 819 CB ALA A 55 7.615 2.438 -2.065 1.00 0.00 C ATOM 0 H ALA A 55 5.213 3.789 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 55 6.074 1.121 -2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.868 1.825 -1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.273 2.182 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.742 3.491 -1.813 1.00 0.00 H new ATOM 825 N ILE A 56 4.864 1.438 -0.575 1.00 0.00 N ATOM 826 CA ILE A 56 3.944 1.575 0.541 1.00 0.00 C ATOM 827 C ILE A 56 4.725 1.491 1.854 1.00 0.00 C ATOM 828 O ILE A 56 5.569 0.613 2.023 1.00 0.00 O ATOM 829 CB ILE A 56 2.813 0.551 0.431 1.00 0.00 C ATOM 830 CG1 ILE A 56 1.986 0.780 -0.836 1.00 0.00 C ATOM 831 CG2 ILE A 56 1.945 0.556 1.691 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.095 -0.428 -1.135 1.00 0.00 C ATOM 0 H ILE A 56 5.228 0.495 -0.714 1.00 0.00 H new ATOM 0 HA ILE A 56 3.461 2.552 0.519 1.00 0.00 H new ATOM 0 HB ILE A 56 3.257 -0.441 0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.369 1.671 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.651 0.964 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.148 -0.181 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.559 0.307 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.508 1.545 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.518 -0.239 -2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.717 -1.312 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.415 -0.594 -0.299 1.00 0.00 H new ATOM 844 N ILE A 57 4.416 2.417 2.749 1.00 0.00 N ATOM 845 CA ILE A 57 5.078 2.459 4.042 1.00 0.00 C ATOM 846 C ILE A 57 4.032 2.660 5.140 1.00 0.00 C ATOM 847 O ILE A 57 2.863 2.911 4.850 1.00 0.00 O ATOM 848 CB ILE A 57 6.183 3.517 4.044 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.601 4.917 3.838 1.00 0.00 C ATOM 850 CG2 ILE A 57 7.261 3.186 3.010 1.00 0.00 C ATOM 851 CD1 ILE A 57 6.318 5.944 4.718 1.00 0.00 C ATOM 0 H ILE A 57 3.716 3.144 2.605 1.00 0.00 H new ATOM 0 HA ILE A 57 5.576 1.511 4.246 1.00 0.00 H new ATOM 0 HB ILE A 57 6.663 3.508 5.023 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.694 5.203 2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.537 4.911 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.034 3.954 3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.704 2.218 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.814 3.150 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.885 6.931 4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.203 5.669 5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.378 5.965 4.463 1.00 0.00 H new ATOM 863 N THR A 58 4.490 2.542 6.378 1.00 0.00 N ATOM 864 CA THR A 58 3.608 2.708 7.521 1.00 0.00 C ATOM 865 C THR A 58 3.449 4.191 7.861 1.00 0.00 C ATOM 866 O THR A 58 3.863 5.056 7.091 1.00 0.00 O ATOM 867 CB THR A 58 4.169 1.876 8.676 1.00 0.00 C ATOM 868 OG1 THR A 58 5.578 2.079 8.597 1.00 0.00 O ATOM 869 CG2 THR A 58 3.995 0.373 8.454 1.00 0.00 C ATOM 0 H THR A 58 5.460 2.333 6.614 1.00 0.00 H new ATOM 0 HA THR A 58 2.603 2.348 7.301 1.00 0.00 H new ATOM 0 HB THR A 58 3.676 2.164 9.604 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.004 1.277 8.228 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.410 -0.171 9.303 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.935 0.140 8.357 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.516 0.077 7.544 1.00 0.00 H new ATOM 877 N ASN A 59 2.847 4.439 9.015 1.00 0.00 N ATOM 878 CA ASN A 59 2.628 5.803 9.466 1.00 0.00 C ATOM 879 C ASN A 59 3.753 6.206 10.421 1.00 0.00 C ATOM 880 O ASN A 59 3.527 6.951 11.374 1.00 0.00 O ATOM 881 CB ASN A 59 1.302 5.928 10.219 1.00 0.00 C ATOM 882 CG ASN A 59 0.156 6.257 9.260 1.00 0.00 C ATOM 883 OD1 ASN A 59 0.329 6.913 8.247 1.00 0.00 O ATOM 884 ND2 ASN A 59 -1.022 5.766 9.636 1.00 0.00 N ATOM 0 H ASN A 59 2.504 3.719 9.651 1.00 0.00 H new ATOM 0 HA ASN A 59 2.607 6.449 8.588 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.087 4.996 10.742 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.382 6.707 10.977 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.850 5.931 9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.097 5.224 10.497 1.00 0.00 H new ATOM 891 N ASP A 60 4.942 5.697 10.133 1.00 0.00 N ATOM 892 CA ASP A 60 6.103 5.995 10.954 1.00 0.00 C ATOM 893 C ASP A 60 7.354 6.015 10.073 1.00 0.00 C ATOM 894 O ASP A 60 8.455 5.740 10.546 1.00 0.00 O ATOM 895 CB ASP A 60 6.302 4.930 12.034 1.00 0.00 C ATOM 896 CG ASP A 60 6.398 5.468 13.463 1.00 0.00 C ATOM 897 OD1 ASP A 60 5.532 6.297 13.817 1.00 0.00 O ATOM 898 OD2 ASP A 60 7.336 5.037 14.169 1.00 0.00 O ATOM 0 H ASP A 60 5.126 5.080 9.342 1.00 0.00 H new ATOM 0 HA ASP A 60 5.941 6.963 11.428 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.474 4.223 11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.211 4.372 11.810 1.00 0.00 H new ATOM 903 N GLY A 61 7.142 6.343 8.807 1.00 0.00 N ATOM 904 CA GLY A 61 8.238 6.402 7.855 1.00 0.00 C ATOM 905 C GLY A 61 9.102 5.142 7.935 1.00 0.00 C ATOM 906 O GLY A 61 10.173 5.156 8.539 1.00 0.00 O ATOM 0 H GLY A 61 6.227 6.571 8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.842 6.512 6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.851 7.281 8.055 1.00 0.00 H new ATOM 910 N ILE A 62 8.603 4.081 7.316 1.00 0.00 N ATOM 911 CA ILE A 62 9.316 2.815 7.309 1.00 0.00 C ATOM 912 C ILE A 62 9.090 2.115 5.967 1.00 0.00 C ATOM 913 O ILE A 62 8.951 2.772 4.936 1.00 0.00 O ATOM 914 CB ILE A 62 8.916 1.969 8.519 1.00 0.00 C ATOM 915 CG1 ILE A 62 8.257 2.831 9.598 1.00 0.00 C ATOM 916 CG2 ILE A 62 10.114 1.188 9.062 1.00 0.00 C ATOM 917 CD1 ILE A 62 7.964 2.008 10.854 1.00 0.00 C ATOM 0 H ILE A 62 7.714 4.073 6.816 1.00 0.00 H new ATOM 0 HA ILE A 62 10.389 2.981 7.406 1.00 0.00 H new ATOM 0 HB ILE A 62 8.175 1.238 8.194 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.910 3.666 9.850 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.330 3.256 9.213 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.802 0.595 9.922 1.00 0.00 H new ATOM 0 HG22 ILE A 62 10.500 0.527 8.286 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.895 1.885 9.366 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.496 2.644 11.605 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.291 1.188 10.603 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.896 1.604 11.250 1.00 0.00 H new ATOM 929 N GLY A 63 9.061 0.792 6.024 1.00 0.00 N ATOM 930 CA GLY A 63 8.855 -0.004 4.826 1.00 0.00 C ATOM 931 C GLY A 63 8.320 -1.394 5.177 1.00 0.00 C ATOM 932 O GLY A 63 9.018 -2.193 5.799 1.00 0.00 O ATOM 0 H GLY A 63 9.177 0.251 6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.153 0.503 4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.795 -0.099 4.282 1.00 0.00 H new ATOM 936 N ILE A 64 7.085 -1.639 4.763 1.00 0.00 N ATOM 937 CA ILE A 64 6.448 -2.919 5.025 1.00 0.00 C ATOM 938 C ILE A 64 7.277 -4.036 4.389 1.00 0.00 C ATOM 939 O ILE A 64 7.833 -3.862 3.305 1.00 0.00 O ATOM 940 CB ILE A 64 4.990 -2.896 4.564 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.228 -1.738 5.211 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.312 -4.243 4.821 1.00 0.00 C ATOM 943 CD1 ILE A 64 2.747 -1.773 4.827 1.00 0.00 C ATOM 0 H ILE A 64 6.509 -0.973 4.248 1.00 0.00 H new ATOM 0 HA ILE A 64 6.416 -3.116 6.096 1.00 0.00 H new ATOM 0 HB ILE A 64 4.975 -2.729 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.328 -1.793 6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.666 -0.790 4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.276 -4.199 4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.839 -5.026 4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.337 -4.465 5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.229 -0.939 5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.650 -1.693 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.306 -2.712 5.163 1.00 0.00 H new ATOM 955 N ASN A 65 7.335 -5.159 5.090 1.00 0.00 N ATOM 956 CA ASN A 65 8.087 -6.305 4.608 1.00 0.00 C ATOM 957 C ASN A 65 7.113 -7.392 4.148 1.00 0.00 C ATOM 958 O ASN A 65 6.481 -8.053 4.971 1.00 0.00 O ATOM 959 CB ASN A 65 8.964 -6.894 5.714 1.00 0.00 C ATOM 960 CG ASN A 65 10.253 -7.483 5.137 1.00 0.00 C ATOM 961 OD1 ASN A 65 10.308 -7.933 4.004 1.00 0.00 O ATOM 962 ND2 ASN A 65 11.284 -7.455 5.976 1.00 0.00 N ATOM 0 H ASN A 65 6.873 -5.300 5.989 1.00 0.00 H new ATOM 0 HA ASN A 65 8.720 -5.971 3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.208 -6.119 6.441 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.412 -7.669 6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.189 -7.824 5.684 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.170 -7.064 6.911 1.00 0.00 H new ATOM 969 N PRO A 66 7.019 -7.547 2.800 1.00 0.00 N ATOM 970 CA PRO A 66 6.133 -8.542 2.221 1.00 0.00 C ATOM 971 C PRO A 66 6.712 -9.950 2.378 1.00 0.00 C ATOM 972 O PRO A 66 6.814 -10.695 1.405 1.00 0.00 O ATOM 973 CB PRO A 66 5.969 -8.126 0.769 1.00 0.00 C ATOM 974 CG PRO A 66 7.129 -7.189 0.470 1.00 0.00 C ATOM 975 CD PRO A 66 7.752 -6.782 1.795 1.00 0.00 C ATOM 0 HA PRO A 66 5.165 -8.585 2.721 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.988 -8.994 0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.013 -7.627 0.611 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.866 -7.684 -0.163 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.780 -6.311 -0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.817 -7.014 1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.655 -5.710 1.965 1.00 0.00 H new ATOM 983 N ALA A 67 7.077 -10.271 3.610 1.00 0.00 N ATOM 984 CA ALA A 67 7.643 -11.576 3.907 1.00 0.00 C ATOM 985 C ALA A 67 6.511 -12.570 4.175 1.00 0.00 C ATOM 986 O ALA A 67 6.636 -13.755 3.872 1.00 0.00 O ATOM 987 CB ALA A 67 8.607 -11.457 5.089 1.00 0.00 C ATOM 0 H ALA A 67 6.992 -9.650 4.415 1.00 0.00 H new ATOM 0 HA ALA A 67 8.214 -11.949 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.032 -12.436 5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.408 -10.763 4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.069 -11.088 5.962 1.00 0.00 H new ATOM 993 N GLN A 68 5.431 -12.049 4.740 1.00 0.00 N ATOM 994 CA GLN A 68 4.278 -12.876 5.052 1.00 0.00 C ATOM 995 C GLN A 68 3.110 -12.528 4.128 1.00 0.00 C ATOM 996 O GLN A 68 3.197 -11.589 3.337 1.00 0.00 O ATOM 997 CB GLN A 68 3.878 -12.727 6.521 1.00 0.00 C ATOM 998 CG GLN A 68 3.870 -11.256 6.941 1.00 0.00 C ATOM 999 CD GLN A 68 5.181 -10.875 7.632 1.00 0.00 C ATOM 1000 OE1 GLN A 68 5.827 -11.681 8.280 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.535 -9.605 7.458 1.00 0.00 N ATOM 0 H GLN A 68 5.331 -11.065 4.989 1.00 0.00 H new ATOM 0 HA GLN A 68 4.548 -13.919 4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.890 -13.159 6.678 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.573 -13.284 7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.720 -10.625 6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.033 -11.071 7.614 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.947 -8.983 6.903 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.394 -9.253 7.880 1.00 0.00 H new ATOM 1010 N THR A 69 2.043 -13.303 4.257 1.00 0.00 N ATOM 1011 CA THR A 69 0.858 -13.088 3.443 1.00 0.00 C ATOM 1012 C THR A 69 0.284 -11.692 3.695 1.00 0.00 C ATOM 1013 O THR A 69 0.438 -11.141 4.784 1.00 0.00 O ATOM 1014 CB THR A 69 -0.132 -14.215 3.743 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.563 -13.954 5.076 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.548 -15.583 3.833 1.00 0.00 C ATOM 0 H THR A 69 1.974 -14.081 4.913 1.00 0.00 H new ATOM 0 HA THR A 69 1.097 -13.120 2.380 1.00 0.00 H new ATOM 0 HB THR A 69 -0.898 -14.240 2.968 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.209 -14.638 5.351 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.199 -16.347 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.037 -15.809 2.885 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.291 -15.568 4.630 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.365 -11.161 2.669 1.00 0.00 N ATOM 1025 CA ALA A 70 -0.962 -9.840 2.765 1.00 0.00 C ATOM 1026 C ALA A 70 -1.755 -9.737 4.070 1.00 0.00 C ATOM 1027 O ALA A 70 -1.568 -8.798 4.842 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.831 -9.582 1.533 1.00 0.00 C ATOM 0 H ALA A 70 -0.490 -11.622 1.768 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.190 -9.071 2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.279 -8.591 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.215 -9.638 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.619 -10.333 1.480 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.624 -10.716 4.276 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.446 -10.748 5.473 1.00 0.00 C ATOM 1036 C GLY A 71 -2.580 -10.719 6.734 1.00 0.00 C ATOM 1037 O GLY A 71 -3.048 -10.336 7.805 1.00 0.00 O ATOM 0 H GLY A 71 -2.776 -11.493 3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.126 -9.896 5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.062 -11.647 5.471 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.331 -11.128 6.565 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.394 -11.153 7.676 1.00 0.00 C ATOM 1043 C ASN A 72 0.422 -9.859 7.679 1.00 0.00 C ATOM 1044 O ASN A 72 1.063 -9.528 8.675 1.00 0.00 O ATOM 1045 CB ASN A 72 0.579 -12.326 7.549 1.00 0.00 C ATOM 1046 CG ASN A 72 -0.091 -13.641 7.951 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -1.199 -13.673 8.461 1.00 0.00 O ATOM 1048 ND2 ASN A 72 0.639 -14.722 7.692 1.00 0.00 N ATOM 0 H ASN A 72 -0.946 -11.445 5.675 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.966 -11.258 8.598 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.938 -12.396 6.522 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.450 -12.150 8.180 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.278 -15.648 7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.559 -14.625 7.263 1.00 0.00 H new ATOM 1055 N VAL A 73 0.372 -9.163 6.553 1.00 0.00 N ATOM 1056 CA VAL A 73 1.099 -7.913 6.413 1.00 0.00 C ATOM 1057 C VAL A 73 0.176 -6.748 6.777 1.00 0.00 C ATOM 1058 O VAL A 73 0.569 -5.849 7.519 1.00 0.00 O ATOM 1059 CB VAL A 73 1.677 -7.798 5.001 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.309 -6.423 4.777 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.685 -8.917 4.728 1.00 0.00 C ATOM 0 H VAL A 73 -0.161 -9.441 5.729 1.00 0.00 H new ATOM 0 HA VAL A 73 1.945 -7.885 7.099 1.00 0.00 H new ATOM 0 HB VAL A 73 0.856 -7.908 4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.712 -6.368 3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.553 -5.649 4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.113 -6.271 5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.081 -8.812 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.502 -8.854 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.191 -9.884 4.825 1.00 0.00 H new ATOM 1071 N PHE A 74 -1.033 -6.801 6.239 1.00 0.00 N ATOM 1072 CA PHE A 74 -2.015 -5.762 6.498 1.00 0.00 C ATOM 1073 C PHE A 74 -2.516 -5.829 7.942 1.00 0.00 C ATOM 1074 O PHE A 74 -3.128 -4.883 8.435 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.190 -6.010 5.551 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.386 -6.700 6.210 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.234 -7.925 6.781 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.600 -6.088 6.225 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.344 -8.565 7.393 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.710 -6.728 6.837 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.559 -7.953 7.408 1.00 0.00 C ATOM 0 H PHE A 74 -1.355 -7.548 5.624 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.568 -4.780 6.342 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.517 -5.056 5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.847 -6.620 4.715 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.269 -8.411 6.769 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.720 -5.115 5.771 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.224 -9.538 7.847 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.674 -6.242 6.849 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.403 -8.440 7.873 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.238 -6.957 8.579 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.653 -7.160 9.957 1.00 0.00 C ATOM 1093 C LEU A 75 -1.559 -6.649 10.896 1.00 0.00 C ATOM 1094 O LEU A 75 -1.839 -5.903 11.833 1.00 0.00 O ATOM 1095 CB LEU A 75 -3.030 -8.624 10.193 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.724 -8.933 11.521 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -5.244 -8.954 11.354 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -3.195 -10.235 12.126 1.00 0.00 C ATOM 0 H LEU A 75 -1.731 -7.740 8.167 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.553 -6.584 10.172 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.683 -8.946 9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.124 -9.226 10.131 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.489 -8.133 12.223 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.712 -9.176 12.313 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.585 -7.981 11.000 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.520 -9.720 10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.705 -10.431 13.069 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.379 -11.058 11.436 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.124 -10.144 12.305 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.335 -7.070 10.612 1.00 0.00 N ATOM 1111 CA LYS A 76 0.803 -6.664 11.419 1.00 0.00 C ATOM 1112 C LYS A 76 1.017 -5.156 11.268 1.00 0.00 C ATOM 1113 O LYS A 76 1.264 -4.459 12.251 1.00 0.00 O ATOM 1114 CB LYS A 76 2.035 -7.498 11.066 1.00 0.00 C ATOM 1115 CG LYS A 76 2.657 -7.029 9.749 1.00 0.00 C ATOM 1116 CD LYS A 76 3.915 -7.834 9.419 1.00 0.00 C ATOM 1117 CE LYS A 76 5.178 -7.053 9.789 1.00 0.00 C ATOM 1118 NZ LYS A 76 5.789 -7.607 11.018 1.00 0.00 N ATOM 0 H LYS A 76 -0.107 -7.689 9.834 1.00 0.00 H new ATOM 0 HA LYS A 76 0.609 -6.855 12.474 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.771 -7.423 11.867 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.756 -8.549 10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.932 -7.134 8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.906 -5.970 9.817 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.897 -8.781 9.959 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.929 -8.073 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.894 -7.098 8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.932 -6.002 9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.645 -7.065 11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.110 -7.542 11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.042 -8.603 10.861 1.00 0.00 H new ATOM 1132 N HIS A 77 0.915 -4.697 10.029 1.00 0.00 N ATOM 1133 CA HIS A 77 1.095 -3.285 9.737 1.00 0.00 C ATOM 1134 C HIS A 77 -0.236 -2.552 9.912 1.00 0.00 C ATOM 1135 O HIS A 77 -0.300 -1.525 10.587 1.00 0.00 O ATOM 1136 CB HIS A 77 1.700 -3.091 8.346 1.00 0.00 C ATOM 1137 CG HIS A 77 3.074 -3.696 8.184 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.236 -3.010 8.491 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.459 -4.929 7.746 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.268 -3.804 8.244 1.00 0.00 C ATOM 1141 NE2 HIS A 77 4.784 -4.993 7.781 1.00 0.00 N ATOM 0 H HIS A 77 0.710 -5.278 9.216 1.00 0.00 H new ATOM 0 HA HIS A 77 1.805 -2.851 10.442 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.031 -3.530 7.606 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.756 -2.024 8.131 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.797 -5.720 7.425 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.309 -3.554 8.384 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.348 -5.798 7.507 1.00 0.00 H new ATOM 1149 N GLY A 78 -1.267 -3.107 9.293 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.594 -2.518 9.371 1.00 0.00 C ATOM 1151 C GLY A 78 -3.175 -2.287 7.975 1.00 0.00 C ATOM 1152 O GLY A 78 -2.521 -2.569 6.972 1.00 0.00 O ATOM 0 H GLY A 78 -1.211 -3.959 8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.254 -3.174 9.939 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.544 -1.571 9.909 1.00 0.00 H new ATOM 1156 N SER A 79 -4.397 -1.776 7.955 1.00 0.00 N ATOM 1157 CA SER A 79 -5.073 -1.504 6.698 1.00 0.00 C ATOM 1158 C SER A 79 -4.967 -0.016 6.358 1.00 0.00 C ATOM 1159 O SER A 79 -5.599 0.456 5.413 1.00 0.00 O ATOM 1160 CB SER A 79 -6.541 -1.931 6.759 1.00 0.00 C ATOM 1161 OG SER A 79 -7.308 -1.086 7.612 1.00 0.00 O ATOM 0 H SER A 79 -4.936 -1.543 8.789 1.00 0.00 H new ATOM 0 HA SER A 79 -4.586 -2.085 5.915 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.965 -1.914 5.755 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.605 -2.959 7.115 1.00 0.00 H new ATOM 0 HG SER A 79 -8.239 -1.391 7.623 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.164 0.683 7.147 1.00 0.00 N ATOM 1168 CA GLU A 80 -3.967 2.108 6.941 1.00 0.00 C ATOM 1169 C GLU A 80 -2.494 2.404 6.654 1.00 0.00 C ATOM 1170 O GLU A 80 -1.658 2.349 7.555 1.00 0.00 O ATOM 1171 CB GLU A 80 -4.462 2.909 8.147 1.00 0.00 C ATOM 1172 CG GLU A 80 -5.984 3.064 8.114 1.00 0.00 C ATOM 1173 CD GLU A 80 -6.413 4.396 8.732 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -6.078 5.437 8.125 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.066 4.344 9.796 1.00 0.00 O ATOM 0 H GLU A 80 -3.642 0.289 7.930 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.554 2.415 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.164 2.408 9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.993 3.893 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.337 3.006 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.449 2.241 8.657 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.219 2.712 5.395 1.00 0.00 N ATOM 1183 CA LEU A 81 -0.862 3.017 4.977 1.00 0.00 C ATOM 1184 C LEU A 81 -0.899 4.054 3.854 1.00 0.00 C ATOM 1185 O LEU A 81 -1.966 4.369 3.330 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.115 1.734 4.605 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.618 0.449 5.266 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.203 -0.782 4.458 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -0.153 0.362 6.721 1.00 0.00 C ATOM 0 H LEU A 81 -2.914 2.757 4.650 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.300 3.459 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.167 1.607 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.937 1.863 4.860 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.708 0.475 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.573 -1.682 4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.624 -0.718 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.884 -0.825 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.524 -0.561 7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.936 0.369 6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.539 1.215 7.278 1.00 0.00 H new ATOM 1201 N ARG A 82 0.280 4.558 3.517 1.00 0.00 N ATOM 1202 CA ARG A 82 0.395 5.553 2.465 1.00 0.00 C ATOM 1203 C ARG A 82 1.395 5.090 1.403 1.00 0.00 C ATOM 1204 O ARG A 82 2.412 4.480 1.727 1.00 0.00 O ATOM 1205 CB ARG A 82 0.850 6.901 3.030 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.271 7.565 3.832 1.00 0.00 C ATOM 1207 CD ARG A 82 0.262 8.142 5.145 1.00 0.00 C ATOM 1208 NE ARG A 82 -0.862 8.615 5.984 1.00 0.00 N ATOM 1209 CZ ARG A 82 -1.414 9.832 5.883 1.00 0.00 C ATOM 1210 NH1 ARG A 82 -0.949 10.706 4.979 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -2.431 10.175 6.685 1.00 0.00 N ATOM 0 H ARG A 82 1.163 4.295 3.954 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.590 5.674 2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.722 6.756 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.156 7.556 2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.726 8.359 3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.054 6.836 4.042 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.832 7.383 5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.945 8.966 4.939 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.240 7.975 6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.175 10.445 4.368 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.369 11.632 4.902 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.785 9.510 7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.851 11.101 6.608 1.00 0.00 H new ATOM 1225 N ILE A 83 1.069 5.398 0.156 1.00 0.00 N ATOM 1226 CA ILE A 83 1.926 5.021 -0.955 1.00 0.00 C ATOM 1227 C ILE A 83 2.829 6.201 -1.321 1.00 0.00 C ATOM 1228 O ILE A 83 2.356 7.212 -1.837 1.00 0.00 O ATOM 1229 CB ILE A 83 1.087 4.503 -2.126 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.889 3.519 -2.980 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.529 5.661 -2.956 1.00 0.00 C ATOM 1232 CD1 ILE A 83 0.966 2.708 -3.893 1.00 0.00 C ATOM 0 H ILE A 83 0.224 5.904 -0.109 1.00 0.00 H new ATOM 0 HA ILE A 83 2.579 4.196 -0.670 1.00 0.00 H new ATOM 0 HB ILE A 83 0.234 3.958 -1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.616 4.063 -3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.451 2.845 -2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.063 5.265 -3.781 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.101 6.290 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.353 6.255 -3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.561 2.016 -4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.256 2.146 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.423 3.383 -4.554 1.00 0.00 H new ATOM 1244 N ILE A 84 4.112 6.032 -1.038 1.00 0.00 N ATOM 1245 CA ILE A 84 5.086 7.070 -1.330 1.00 0.00 C ATOM 1246 C ILE A 84 5.898 6.669 -2.564 1.00 0.00 C ATOM 1247 O ILE A 84 5.999 5.487 -2.887 1.00 0.00 O ATOM 1248 CB ILE A 84 5.944 7.363 -0.098 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.897 6.202 0.195 1.00 0.00 C ATOM 1250 CG2 ILE A 84 5.069 7.705 1.110 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.269 6.447 -0.437 1.00 0.00 C ATOM 0 H ILE A 84 4.500 5.192 -0.609 1.00 0.00 H new ATOM 0 HA ILE A 84 4.583 8.007 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 84 6.558 8.238 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 84 7.006 6.079 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.475 5.274 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.703 7.909 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.467 8.586 0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.412 6.864 1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.927 5.607 -0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.160 6.546 -1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.698 7.363 -0.031 1.00 0.00 H new ATOM 1263 N PRO A 85 6.470 7.704 -3.236 1.00 0.00 N ATOM 1264 CA PRO A 85 7.270 7.471 -4.426 1.00 0.00 C ATOM 1265 C PRO A 85 8.643 6.902 -4.062 1.00 0.00 C ATOM 1266 O PRO A 85 9.464 7.591 -3.458 1.00 0.00 O ATOM 1267 CB PRO A 85 7.352 8.823 -5.116 1.00 0.00 C ATOM 1268 CG PRO A 85 6.993 9.853 -4.057 1.00 0.00 C ATOM 1269 CD PRO A 85 6.372 9.117 -2.881 1.00 0.00 C ATOM 0 HA PRO A 85 6.830 6.726 -5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.353 9.000 -5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.663 8.874 -5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.881 10.399 -3.739 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.295 10.587 -4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.904 9.330 -1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.335 9.416 -2.729 1.00 0.00 H new ATOM 1277 N ARG A 86 8.850 5.651 -4.445 1.00 0.00 N ATOM 1278 CA ARG A 86 10.109 4.981 -4.166 1.00 0.00 C ATOM 1279 C ARG A 86 11.264 5.715 -4.851 1.00 0.00 C ATOM 1280 O ARG A 86 11.438 5.610 -6.064 1.00 0.00 O ATOM 1281 CB ARG A 86 10.079 3.529 -4.647 1.00 0.00 C ATOM 1282 CG ARG A 86 10.829 2.614 -3.677 1.00 0.00 C ATOM 1283 CD ARG A 86 10.854 1.173 -4.190 1.00 0.00 C ATOM 1284 NE ARG A 86 11.938 0.417 -3.523 1.00 0.00 N ATOM 1285 CZ ARG A 86 12.091 -0.911 -3.612 1.00 0.00 C ATOM 1286 NH1 ARG A 86 11.233 -1.638 -4.340 1.00 0.00 N ATOM 1287 NH2 ARG A 86 13.104 -1.513 -2.973 1.00 0.00 N ATOM 0 H ARG A 86 8.167 5.083 -4.946 1.00 0.00 H new ATOM 0 HA ARG A 86 10.258 4.991 -3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.046 3.195 -4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.528 3.461 -5.638 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.849 2.975 -3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.351 2.647 -2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.894 0.693 -3.999 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.005 1.165 -5.269 1.00 0.00 H new ATOM 0 HE ARG A 86 12.610 0.939 -2.961 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.462 -1.181 -4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.350 -2.649 -4.407 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.758 -0.960 -2.419 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.221 -2.524 -3.041 1.00 0.00 H new ATOM 1301 N ASP A 87 12.022 6.443 -4.044 1.00 0.00 N ATOM 1302 CA ASP A 87 13.155 7.194 -4.558 1.00 0.00 C ATOM 1303 C ASP A 87 14.450 6.594 -4.009 1.00 0.00 C ATOM 1304 O ASP A 87 14.820 6.846 -2.863 1.00 0.00 O ATOM 1305 CB ASP A 87 13.089 8.658 -4.119 1.00 0.00 C ATOM 1306 CG ASP A 87 13.255 9.679 -5.246 1.00 0.00 C ATOM 1307 OD1 ASP A 87 14.422 9.936 -5.612 1.00 0.00 O ATOM 1308 OD2 ASP A 87 12.211 10.180 -5.717 1.00 0.00 O ATOM 0 H ASP A 87 11.874 6.529 -3.038 1.00 0.00 H new ATOM 0 HA ASP A 87 13.129 7.142 -5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.131 8.832 -3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.864 8.833 -3.373 1.00 0.00 H new ATOM 1313 N ARG A 88 15.106 5.810 -4.853 1.00 0.00 N ATOM 1314 CA ARG A 88 16.352 5.171 -4.466 1.00 0.00 C ATOM 1315 C ARG A 88 17.312 5.116 -5.657 1.00 0.00 C ATOM 1316 O ARG A 88 18.475 5.499 -5.540 1.00 0.00 O ATOM 1317 CB ARG A 88 16.107 3.751 -3.951 1.00 0.00 C ATOM 1318 CG ARG A 88 15.174 2.982 -4.888 1.00 0.00 C ATOM 1319 CD ARG A 88 15.964 2.031 -5.790 1.00 0.00 C ATOM 1320 NE ARG A 88 15.901 0.653 -5.252 1.00 0.00 N ATOM 1321 CZ ARG A 88 16.742 -0.329 -5.602 1.00 0.00 C ATOM 1322 NH1 ARG A 88 17.716 -0.093 -6.491 1.00 0.00 N ATOM 1323 NH2 ARG A 88 16.609 -1.549 -5.062 1.00 0.00 N ATOM 0 H ARG A 88 14.798 5.603 -5.803 1.00 0.00 H new ATOM 0 HA ARG A 88 16.794 5.764 -3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 88 17.057 3.223 -3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.672 3.792 -2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.450 2.416 -4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.609 3.684 -5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.558 2.054 -6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.002 2.357 -5.856 1.00 0.00 H new ATOM 0 HE ARG A 88 15.171 0.438 -4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 88 17.818 0.835 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 88 18.356 -0.841 -6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.868 -1.729 -4.385 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.249 -2.297 -5.328 1.00 0.00 H new ATOM 1337 N VAL A 89 16.789 4.636 -6.776 1.00 0.00 N ATOM 1338 CA VAL A 89 17.584 4.526 -7.987 1.00 0.00 C ATOM 1339 C VAL A 89 17.390 5.784 -8.835 1.00 0.00 C ATOM 1340 O VAL A 89 16.285 6.319 -8.916 1.00 0.00 O ATOM 1341 CB VAL A 89 17.225 3.240 -8.733 1.00 0.00 C ATOM 1342 CG1 VAL A 89 15.894 3.389 -9.473 1.00 0.00 C ATOM 1343 CG2 VAL A 89 18.344 2.834 -9.695 1.00 0.00 C ATOM 0 H VAL A 89 15.824 4.319 -6.869 1.00 0.00 H new ATOM 0 HA VAL A 89 18.644 4.459 -7.744 1.00 0.00 H new ATOM 0 HB VAL A 89 17.112 2.445 -7.996 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.662 2.461 -9.995 1.00 0.00 H new ATOM 0 HG12 VAL A 89 15.102 3.610 -8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 89 15.968 4.202 -10.195 1.00 0.00 H new ATOM 0 HG21 VAL A 89 18.064 1.917 -10.213 1.00 0.00 H new ATOM 0 HG22 VAL A 89 18.503 3.628 -10.424 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.264 2.667 -9.134 1.00 0.00 H new ATOM 1353 N GLY A 90 18.481 6.221 -9.448 1.00 0.00 N ATOM 1354 CA GLY A 90 18.445 7.406 -10.287 1.00 0.00 C ATOM 1355 C GLY A 90 18.300 8.673 -9.442 1.00 0.00 C ATOM 1356 O GLY A 90 18.456 8.631 -8.222 1.00 0.00 O ATOM 0 H GLY A 90 19.396 5.775 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 90 19.357 7.463 -10.881 1.00 0.00 H new ATOM 0 HA3 GLY A 90 17.613 7.335 -10.987 1.00 0.00 H new ATOM 1360 N SER A 91 18.004 9.770 -10.123 1.00 0.00 N ATOM 1361 CA SER A 91 17.836 11.046 -9.450 1.00 0.00 C ATOM 1362 C SER A 91 16.969 11.977 -10.300 1.00 0.00 C ATOM 1363 O SER A 91 15.910 12.420 -9.859 1.00 0.00 O ATOM 1364 CB SER A 91 19.190 11.699 -9.161 1.00 0.00 C ATOM 1365 OG SER A 91 19.316 12.084 -7.795 1.00 0.00 O ATOM 0 H SER A 91 17.876 9.801 -11.134 1.00 0.00 H new ATOM 0 HA SER A 91 17.338 10.866 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 91 19.990 11.004 -9.417 1.00 0.00 H new ATOM 0 HB3 SER A 91 19.313 12.575 -9.798 1.00 0.00 H new ATOM 0 HG SER A 91 20.194 12.495 -7.651 1.00 0.00 H new ATOM 1371 N CYS A 92 17.451 12.246 -11.505 1.00 0.00 N ATOM 1372 CA CYS A 92 16.734 13.115 -12.421 1.00 0.00 C ATOM 1373 C CYS A 92 16.517 12.358 -13.733 1.00 0.00 C ATOM 1374 O CYS A 92 17.347 11.538 -14.125 1.00 0.00 O ATOM 1375 CB CYS A 92 17.472 14.437 -12.641 1.00 0.00 C ATOM 1376 SG CYS A 92 19.059 14.133 -13.501 1.00 0.00 S ATOM 0 H CYS A 92 18.330 11.877 -11.868 1.00 0.00 H new ATOM 0 HA CYS A 92 15.768 13.380 -11.992 1.00 0.00 H new ATOM 0 HB2 CYS A 92 16.854 15.114 -13.230 1.00 0.00 H new ATOM 0 HB3 CYS A 92 17.655 14.924 -11.683 1.00 0.00 H new ATOM 0 HG CYS A 92 19.009 12.986 -14.111 1.00 0.00 H new TER 1382 CYS A 92