USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 684 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 48 THR OG1 : rot 140:sc= 0.598 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -2.77! USER MOD Single : A 14 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -108:sc= -1.81! (180deg=-4.63!) USER MOD Single : A 21 LYS NZ :NH3+ 151:sc= -0.24 (180deg=-1.36!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 163:sc= -0.0254 (180deg=-0.297) USER MOD Single : A 27 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.03) USER MOD Single : A 28 CYS SG : rot -13:sc= -0.682 USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= 0.11 (180deg=-0.952!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.536 X(o=-0.54,f=-0.64) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 46 MET CE :methyl -134:sc= -0.129 (180deg=-1.64) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.303 USER MOD Single : A 66 ASN : amide:sc= -3.47 K(o=-3.5,f=-12!) USER MOD Single : A 69 CYS SG : rot -120:sc= 0.00383 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 1:sc= 0.442! USER MOD Single : A 80 MET CE :methyl -151:sc= -0.0641 (180deg=-0.578) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.714 20.288 -19.488 1.00 0.00 N ATOM 2 CA GLY A 1 -15.586 19.474 -19.904 1.00 0.00 C ATOM 3 C GLY A 1 -14.947 18.734 -18.746 1.00 0.00 C ATOM 4 O GLY A 1 -13.731 18.784 -18.564 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.116 20.773 -20.315 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.440 19.681 -19.056 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.395 20.994 -18.794 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.918 18.754 -20.652 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.840 20.109 -20.381 1.00 0.00 H new ATOM 8 N SER A 2 -15.769 18.046 -17.960 1.00 0.00 N ATOM 9 CA SER A 2 -15.277 17.296 -16.810 1.00 0.00 C ATOM 10 C SER A 2 -14.426 16.111 -17.257 1.00 0.00 C ATOM 11 O SER A 2 -14.725 15.461 -18.259 1.00 0.00 O ATOM 12 CB SER A 2 -16.448 16.803 -15.957 1.00 0.00 C ATOM 13 OG SER A 2 -17.015 17.864 -15.208 1.00 0.00 O ATOM 0 H SER A 2 -16.778 17.992 -18.098 1.00 0.00 H new ATOM 0 HA SER A 2 -14.656 17.963 -16.212 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.209 16.360 -16.599 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.105 16.019 -15.281 1.00 0.00 H new ATOM 0 HG SER A 2 -17.762 17.524 -14.673 1.00 0.00 H new ATOM 19 N SER A 3 -13.363 15.838 -16.507 1.00 0.00 N ATOM 20 CA SER A 3 -12.465 14.735 -16.828 1.00 0.00 C ATOM 21 C SER A 3 -12.112 13.940 -15.574 1.00 0.00 C ATOM 22 O SER A 3 -11.680 14.503 -14.569 1.00 0.00 O ATOM 23 CB SER A 3 -11.189 15.263 -17.486 1.00 0.00 C ATOM 24 OG SER A 3 -11.431 15.657 -18.825 1.00 0.00 O ATOM 0 H SER A 3 -13.103 16.365 -15.673 1.00 0.00 H new ATOM 0 HA SER A 3 -12.978 14.073 -17.526 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.807 16.111 -16.918 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.419 14.492 -17.464 1.00 0.00 H new ATOM 0 HG SER A 3 -10.600 15.992 -19.223 1.00 0.00 H new ATOM 30 N GLY A 4 -12.301 12.625 -15.642 1.00 0.00 N ATOM 31 CA GLY A 4 -11.999 11.773 -14.507 1.00 0.00 C ATOM 32 C GLY A 4 -12.382 10.327 -14.750 1.00 0.00 C ATOM 33 O GLY A 4 -13.501 10.037 -15.173 1.00 0.00 O ATOM 0 H GLY A 4 -12.658 12.135 -16.463 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.933 11.831 -14.286 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.527 12.143 -13.628 1.00 0.00 H new ATOM 37 N SER A 5 -11.451 9.416 -14.483 1.00 0.00 N ATOM 38 CA SER A 5 -11.695 7.992 -14.681 1.00 0.00 C ATOM 39 C SER A 5 -11.364 7.204 -13.417 1.00 0.00 C ATOM 40 O SER A 5 -10.225 7.209 -12.950 1.00 0.00 O ATOM 41 CB SER A 5 -10.865 7.469 -15.854 1.00 0.00 C ATOM 42 OG SER A 5 -11.465 7.806 -17.093 1.00 0.00 O ATOM 0 H SER A 5 -10.521 9.639 -14.129 1.00 0.00 H new ATOM 0 HA SER A 5 -12.753 7.857 -14.906 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.860 7.887 -15.807 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.764 6.386 -15.778 1.00 0.00 H new ATOM 0 HG SER A 5 -10.915 7.462 -17.827 1.00 0.00 H new ATOM 48 N SER A 6 -12.368 6.527 -12.869 1.00 0.00 N ATOM 49 CA SER A 6 -12.186 5.736 -11.658 1.00 0.00 C ATOM 50 C SER A 6 -11.658 4.344 -11.991 1.00 0.00 C ATOM 51 O SER A 6 -12.423 3.387 -12.098 1.00 0.00 O ATOM 52 CB SER A 6 -13.506 5.623 -10.894 1.00 0.00 C ATOM 53 OG SER A 6 -13.887 6.873 -10.345 1.00 0.00 O ATOM 0 H SER A 6 -13.316 6.511 -13.245 1.00 0.00 H new ATOM 0 HA SER A 6 -11.453 6.243 -11.031 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.287 5.263 -11.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.406 4.887 -10.096 1.00 0.00 H new ATOM 0 HG SER A 6 -14.735 6.774 -9.863 1.00 0.00 H new ATOM 59 N GLY A 7 -10.342 4.241 -12.156 1.00 0.00 N ATOM 60 CA GLY A 7 -9.733 2.963 -12.476 1.00 0.00 C ATOM 61 C GLY A 7 -9.045 2.334 -11.281 1.00 0.00 C ATOM 62 O GLY A 7 -9.376 1.217 -10.884 1.00 0.00 O ATOM 0 H GLY A 7 -9.688 5.019 -12.074 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.498 2.283 -12.851 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.008 3.100 -13.278 1.00 0.00 H new ATOM 66 N MET A 8 -8.084 3.050 -10.708 1.00 0.00 N ATOM 67 CA MET A 8 -7.347 2.554 -9.551 1.00 0.00 C ATOM 68 C MET A 8 -8.298 1.966 -8.513 1.00 0.00 C ATOM 69 O MET A 8 -8.402 0.747 -8.373 1.00 0.00 O ATOM 70 CB MET A 8 -6.521 3.678 -8.925 1.00 0.00 C ATOM 71 CG MET A 8 -5.095 3.748 -9.446 1.00 0.00 C ATOM 72 SD MET A 8 -4.348 5.373 -9.213 1.00 0.00 S ATOM 73 CE MET A 8 -3.138 5.010 -7.943 1.00 0.00 C ATOM 0 H MET A 8 -7.797 3.976 -11.026 1.00 0.00 H new ATOM 0 HA MET A 8 -6.675 1.766 -9.890 1.00 0.00 H new ATOM 0 HB2 MET A 8 -7.016 4.630 -9.115 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.498 3.542 -7.844 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.489 2.998 -8.937 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.087 3.498 -10.507 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.592 5.919 -7.690 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.645 4.632 -7.055 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.440 4.258 -8.310 1.00 0.00 H new ATOM 83 N ILE A 9 -8.988 2.840 -7.787 1.00 0.00 N ATOM 84 CA ILE A 9 -9.929 2.406 -6.763 1.00 0.00 C ATOM 85 C ILE A 9 -10.774 1.234 -7.252 1.00 0.00 C ATOM 86 O ILE A 9 -10.967 0.253 -6.536 1.00 0.00 O ATOM 87 CB ILE A 9 -10.863 3.553 -6.334 1.00 0.00 C ATOM 88 CG1 ILE A 9 -10.049 4.715 -5.760 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.879 3.057 -5.317 1.00 0.00 C ATOM 90 CD1 ILE A 9 -9.618 5.724 -6.801 1.00 0.00 C ATOM 0 H ILE A 9 -8.913 3.852 -7.889 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.336 2.090 -5.905 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.402 3.910 -7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.642 5.222 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.164 4.317 -5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.532 3.879 -5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.476 2.259 -5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.358 2.676 -4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.046 6.519 -6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.998 5.232 -7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.499 6.150 -7.282 1.00 0.00 H new ATOM 102 N ALA A 10 -11.273 1.344 -8.479 1.00 0.00 N ATOM 103 CA ALA A 10 -12.093 0.292 -9.067 1.00 0.00 C ATOM 104 C ALA A 10 -11.379 -1.054 -9.015 1.00 0.00 C ATOM 105 O ALA A 10 -11.878 -2.009 -8.421 1.00 0.00 O ATOM 106 CB ALA A 10 -12.456 0.645 -10.502 1.00 0.00 C ATOM 0 H ALA A 10 -11.124 2.151 -9.085 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.009 0.210 -8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.068 -0.150 -10.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.014 1.581 -10.516 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.545 0.757 -11.091 1.00 0.00 H new ATOM 112 N ALA A 11 -10.210 -1.123 -9.643 1.00 0.00 N ATOM 113 CA ALA A 11 -9.427 -2.352 -9.667 1.00 0.00 C ATOM 114 C ALA A 11 -9.120 -2.835 -8.254 1.00 0.00 C ATOM 115 O ALA A 11 -9.477 -3.952 -7.877 1.00 0.00 O ATOM 116 CB ALA A 11 -8.138 -2.142 -10.447 1.00 0.00 C ATOM 0 H ALA A 11 -9.784 -0.342 -10.142 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.018 -3.120 -10.165 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.563 -3.068 -10.456 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.375 -1.852 -11.470 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.550 -1.355 -9.974 1.00 0.00 H new ATOM 122 N TYR A 12 -8.455 -1.989 -7.476 1.00 0.00 N ATOM 123 CA TYR A 12 -8.096 -2.331 -6.105 1.00 0.00 C ATOM 124 C TYR A 12 -9.306 -2.863 -5.342 1.00 0.00 C ATOM 125 O TYR A 12 -9.322 -4.015 -4.909 1.00 0.00 O ATOM 126 CB TYR A 12 -7.523 -1.109 -5.385 1.00 0.00 C ATOM 127 CG TYR A 12 -6.079 -0.825 -5.731 1.00 0.00 C ATOM 128 CD1 TYR A 12 -5.067 -1.696 -5.348 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.726 0.315 -6.443 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.746 -1.440 -5.662 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.408 0.579 -6.763 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.422 -0.302 -6.369 1.00 0.00 C ATOM 133 OH TYR A 12 -2.108 -0.043 -6.685 1.00 0.00 O ATOM 0 H TYR A 12 -8.153 -1.061 -7.772 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.337 -3.113 -6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -8.126 -0.236 -5.633 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.607 -1.259 -4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.317 -2.589 -4.795 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.496 1.007 -6.752 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.972 -2.128 -5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.151 1.469 -7.318 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.052 0.798 -7.186 1.00 0.00 H new ATOM 143 N GLU A 13 -10.317 -2.014 -5.183 1.00 0.00 N ATOM 144 CA GLU A 13 -11.531 -2.399 -4.472 1.00 0.00 C ATOM 145 C GLU A 13 -12.033 -3.758 -4.949 1.00 0.00 C ATOM 146 O GLU A 13 -12.417 -4.607 -4.146 1.00 0.00 O ATOM 147 CB GLU A 13 -12.620 -1.342 -4.670 1.00 0.00 C ATOM 148 CG GLU A 13 -13.604 -1.259 -3.515 1.00 0.00 C ATOM 149 CD GLU A 13 -13.056 -0.477 -2.337 1.00 0.00 C ATOM 150 OE1 GLU A 13 -12.312 0.500 -2.567 1.00 0.00 O ATOM 151 OE2 GLU A 13 -13.372 -0.842 -1.185 1.00 0.00 O ATOM 0 H GLU A 13 -10.320 -1.057 -5.536 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.293 -2.472 -3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.149 -0.368 -4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.167 -1.563 -5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.525 -0.790 -3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.862 -2.267 -3.189 1.00 0.00 H new ATOM 158 N ASN A 14 -12.027 -3.957 -6.263 1.00 0.00 N ATOM 159 CA ASN A 14 -12.483 -5.213 -6.849 1.00 0.00 C ATOM 160 C ASN A 14 -11.524 -6.350 -6.510 1.00 0.00 C ATOM 161 O ASN A 14 -11.908 -7.520 -6.511 1.00 0.00 O ATOM 162 CB ASN A 14 -12.612 -5.074 -8.367 1.00 0.00 C ATOM 163 CG ASN A 14 -13.988 -4.598 -8.790 1.00 0.00 C ATOM 164 OD1 ASN A 14 -14.891 -4.463 -7.964 1.00 0.00 O ATOM 165 ND2 ASN A 14 -14.154 -4.342 -10.082 1.00 0.00 N ATOM 0 H ASN A 14 -11.711 -3.265 -6.943 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.461 -5.449 -6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.861 -4.373 -8.730 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.403 -6.036 -8.836 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.058 -4.019 -10.426 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.377 -4.468 -10.731 1.00 0.00 H new ATOM 172 N SER A 15 -10.276 -5.998 -6.219 1.00 0.00 N ATOM 173 CA SER A 15 -9.261 -6.990 -5.881 1.00 0.00 C ATOM 174 C SER A 15 -9.412 -7.450 -4.435 1.00 0.00 C ATOM 175 O SER A 15 -10.312 -7.007 -3.720 1.00 0.00 O ATOM 176 CB SER A 15 -7.861 -6.413 -6.102 1.00 0.00 C ATOM 177 OG SER A 15 -7.447 -6.581 -7.446 1.00 0.00 O ATOM 0 H SER A 15 -9.943 -5.034 -6.210 1.00 0.00 H new ATOM 0 HA SER A 15 -9.398 -7.852 -6.534 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.856 -5.353 -5.847 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.152 -6.905 -5.436 1.00 0.00 H new ATOM 0 HG SER A 15 -6.550 -6.203 -7.562 1.00 0.00 H new ATOM 183 N LYS A 16 -8.525 -8.343 -4.009 1.00 0.00 N ATOM 184 CA LYS A 16 -8.556 -8.865 -2.648 1.00 0.00 C ATOM 185 C LYS A 16 -7.144 -9.031 -2.096 1.00 0.00 C ATOM 186 O LYS A 16 -6.177 -9.107 -2.854 1.00 0.00 O ATOM 187 CB LYS A 16 -9.291 -10.206 -2.611 1.00 0.00 C ATOM 188 CG LYS A 16 -10.782 -10.092 -2.879 1.00 0.00 C ATOM 189 CD LYS A 16 -11.567 -9.904 -1.592 1.00 0.00 C ATOM 190 CE LYS A 16 -11.366 -8.511 -1.015 1.00 0.00 C ATOM 191 NZ LYS A 16 -10.221 -8.466 -0.063 1.00 0.00 N ATOM 0 H LYS A 16 -7.775 -8.721 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.089 -8.148 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.848 -10.874 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.140 -10.666 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.969 -9.251 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.130 -10.989 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.627 -10.070 -1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.254 -10.650 -0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.193 -7.803 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.276 -8.194 -0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.580 -8.368 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.670 -9.344 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.612 -7.654 -0.290 1.00 0.00 H new ATOM 205 N TRP A 17 -7.033 -9.087 -0.774 1.00 0.00 N ATOM 206 CA TRP A 17 -5.738 -9.246 -0.122 1.00 0.00 C ATOM 207 C TRP A 17 -5.030 -10.502 -0.616 1.00 0.00 C ATOM 208 O TRP A 17 -5.654 -11.549 -0.788 1.00 0.00 O ATOM 209 CB TRP A 17 -5.913 -9.308 1.396 1.00 0.00 C ATOM 210 CG TRP A 17 -4.616 -9.405 2.140 1.00 0.00 C ATOM 211 CD1 TRP A 17 -3.967 -8.395 2.791 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.809 -10.576 2.308 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.805 -8.867 3.353 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.686 -10.203 3.072 1.00 0.00 C ATOM 215 CE3 TRP A 17 -3.927 -11.904 1.888 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.690 -11.110 3.422 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -2.937 -12.803 2.237 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.831 -12.403 2.998 1.00 0.00 C ATOM 0 H TRP A 17 -7.824 -9.025 -0.132 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.123 -8.382 -0.375 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.449 -8.419 1.729 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.533 -10.168 1.648 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.316 -7.375 2.855 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.139 -8.313 3.892 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.776 -12.222 1.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.836 -10.804 4.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.017 -13.832 1.918 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.075 -13.130 3.255 1.00 0.00 H new ATOM 229 N GLU A 18 -3.725 -10.391 -0.842 1.00 0.00 N ATOM 230 CA GLU A 18 -2.934 -11.520 -1.318 1.00 0.00 C ATOM 231 C GLU A 18 -1.625 -11.632 -0.542 1.00 0.00 C ATOM 232 O GLU A 18 -1.013 -10.634 -0.160 1.00 0.00 O ATOM 233 CB GLU A 18 -2.642 -11.373 -2.813 1.00 0.00 C ATOM 234 CG GLU A 18 -1.643 -10.274 -3.133 1.00 0.00 C ATOM 235 CD GLU A 18 -1.819 -9.716 -4.532 1.00 0.00 C ATOM 236 OE1 GLU A 18 -2.679 -8.828 -4.711 1.00 0.00 O ATOM 237 OE2 GLU A 18 -1.098 -10.166 -5.446 1.00 0.00 O ATOM 0 H GLU A 18 -3.193 -9.532 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.512 -12.430 -1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.262 -12.320 -3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.575 -11.169 -3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.751 -9.467 -2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.631 -10.665 -3.026 1.00 0.00 H new ATOM 244 N PRO A 19 -1.184 -12.876 -0.301 1.00 0.00 N ATOM 245 CA PRO A 19 0.056 -13.149 0.431 1.00 0.00 C ATOM 246 C PRO A 19 1.297 -12.758 -0.364 1.00 0.00 C ATOM 247 O PRO A 19 1.835 -13.559 -1.128 1.00 0.00 O ATOM 248 CB PRO A 19 0.014 -14.664 0.646 1.00 0.00 C ATOM 249 CG PRO A 19 -0.839 -15.180 -0.460 1.00 0.00 C ATOM 250 CD PRO A 19 -1.863 -14.111 -0.727 1.00 0.00 C ATOM 0 HA PRO A 19 0.119 -12.575 1.355 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.014 -15.097 0.610 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.407 -14.914 1.620 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.244 -15.381 -1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.318 -16.118 -0.178 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.141 -14.074 -1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.779 -14.282 -0.162 1.00 0.00 H new ATOM 258 N VAL A 20 1.747 -11.521 -0.180 1.00 0.00 N ATOM 259 CA VAL A 20 2.926 -11.024 -0.879 1.00 0.00 C ATOM 260 C VAL A 20 3.992 -10.556 0.105 1.00 0.00 C ATOM 261 O VAL A 20 3.686 -9.914 1.110 1.00 0.00 O ATOM 262 CB VAL A 20 2.569 -9.861 -1.825 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.907 -8.729 -1.053 1.00 0.00 C ATOM 264 CG2 VAL A 20 3.810 -9.367 -2.552 1.00 0.00 C ATOM 0 H VAL A 20 1.313 -10.844 0.448 1.00 0.00 H new ATOM 0 HA VAL A 20 3.318 -11.854 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 20 1.860 -10.224 -2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.662 -7.917 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.994 -9.095 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.590 -8.364 -0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.540 -8.546 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.544 -9.019 -1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.237 -10.181 -3.137 1.00 0.00 H new ATOM 274 N LYS A 21 5.246 -10.881 -0.191 1.00 0.00 N ATOM 275 CA LYS A 21 6.360 -10.493 0.666 1.00 0.00 C ATOM 276 C LYS A 21 6.862 -9.098 0.308 1.00 0.00 C ATOM 277 O LYS A 21 7.470 -8.898 -0.744 1.00 0.00 O ATOM 278 CB LYS A 21 7.502 -11.505 0.542 1.00 0.00 C ATOM 279 CG LYS A 21 8.683 -11.202 1.447 1.00 0.00 C ATOM 280 CD LYS A 21 9.610 -12.399 1.574 1.00 0.00 C ATOM 281 CE LYS A 21 9.187 -13.313 2.714 1.00 0.00 C ATOM 282 NZ LYS A 21 8.153 -14.295 2.283 1.00 0.00 N ATOM 0 H LYS A 21 5.516 -11.413 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 21 6.005 -10.479 1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.122 -12.500 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.844 -11.529 -0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.238 -10.352 1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.322 -10.914 2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.613 -12.959 0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.630 -12.054 1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.058 -13.846 3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.797 -12.712 3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.236 -15.160 2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.207 -13.883 2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.293 -14.529 1.279 1.00 0.00 H new ATOM 296 N TRP A 22 6.605 -8.138 1.188 1.00 0.00 N ATOM 297 CA TRP A 22 7.032 -6.761 0.965 1.00 0.00 C ATOM 298 C TRP A 22 8.541 -6.626 1.133 1.00 0.00 C ATOM 299 O TRP A 22 9.049 -6.593 2.253 1.00 0.00 O ATOM 300 CB TRP A 22 6.312 -5.819 1.931 1.00 0.00 C ATOM 301 CG TRP A 22 4.822 -5.833 1.775 1.00 0.00 C ATOM 302 CD1 TRP A 22 3.900 -6.119 2.741 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.082 -5.552 0.582 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.631 -6.033 2.220 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.716 -5.685 0.898 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.440 -5.198 -0.722 1.00 0.00 C ATOM 307 CZ2 TRP A 22 1.711 -5.478 -0.043 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.442 -4.993 -1.655 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.090 -5.133 -1.312 1.00 0.00 C ATOM 0 H TRP A 22 6.103 -8.287 2.063 1.00 0.00 H new ATOM 0 HA TRP A 22 6.773 -6.487 -0.058 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.566 -6.096 2.954 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.677 -4.804 1.776 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.134 -6.375 3.764 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.766 -6.201 2.734 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.479 -5.087 -0.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.669 -5.586 0.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.708 -4.720 -2.666 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.333 -4.965 -2.064 1.00 0.00 H new ATOM 320 N GLU A 23 9.253 -6.548 0.012 1.00 0.00 N ATOM 321 CA GLU A 23 10.705 -6.416 0.038 1.00 0.00 C ATOM 322 C GLU A 23 11.117 -4.951 0.140 1.00 0.00 C ATOM 323 O GLU A 23 10.272 -4.057 0.147 1.00 0.00 O ATOM 324 CB GLU A 23 11.318 -7.044 -1.216 1.00 0.00 C ATOM 325 CG GLU A 23 10.936 -8.501 -1.417 1.00 0.00 C ATOM 326 CD GLU A 23 11.936 -9.254 -2.272 1.00 0.00 C ATOM 327 OE1 GLU A 23 13.027 -9.580 -1.760 1.00 0.00 O ATOM 328 OE2 GLU A 23 11.627 -9.517 -3.453 1.00 0.00 O ATOM 0 H GLU A 23 8.848 -6.574 -0.924 1.00 0.00 H new ATOM 0 HA GLU A 23 11.076 -6.941 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.005 -6.471 -2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.404 -6.967 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.854 -8.989 -0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.952 -8.554 -1.884 1.00 0.00 H new ATOM 335 N ASN A 24 12.422 -4.713 0.220 1.00 0.00 N ATOM 336 CA ASN A 24 12.947 -3.357 0.323 1.00 0.00 C ATOM 337 C ASN A 24 12.977 -2.679 -1.044 1.00 0.00 C ATOM 338 O ASN A 24 13.178 -3.333 -2.067 1.00 0.00 O ATOM 339 CB ASN A 24 14.354 -3.376 0.925 1.00 0.00 C ATOM 340 CG ASN A 24 14.348 -3.751 2.395 1.00 0.00 C ATOM 341 OD1 ASN A 24 14.777 -4.842 2.771 1.00 0.00 O ATOM 342 ND2 ASN A 24 13.861 -2.844 3.234 1.00 0.00 N ATOM 0 H ASN A 24 13.135 -5.442 0.215 1.00 0.00 H new ATOM 0 HA ASN A 24 12.286 -2.788 0.977 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.972 -4.085 0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.811 -2.394 0.805 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.832 -3.039 4.235 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.516 -1.953 2.878 1.00 0.00 H new ATOM 349 N ASP A 25 12.775 -1.366 -1.051 1.00 0.00 N ATOM 350 CA ASP A 25 12.780 -0.599 -2.292 1.00 0.00 C ATOM 351 C ASP A 25 11.730 -1.129 -3.263 1.00 0.00 C ATOM 352 O ASP A 25 12.022 -1.381 -4.431 1.00 0.00 O ATOM 353 CB ASP A 25 14.164 -0.649 -2.941 1.00 0.00 C ATOM 354 CG ASP A 25 14.259 0.235 -4.169 1.00 0.00 C ATOM 355 OD1 ASP A 25 14.029 1.456 -4.041 1.00 0.00 O ATOM 356 OD2 ASP A 25 14.565 -0.294 -5.258 1.00 0.00 O ATOM 0 H ASP A 25 12.606 -0.811 -0.212 1.00 0.00 H new ATOM 0 HA ASP A 25 12.537 0.436 -2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.915 -0.338 -2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.395 -1.677 -3.218 1.00 0.00 H new ATOM 361 N MET A 26 10.507 -1.297 -2.770 1.00 0.00 N ATOM 362 CA MET A 26 9.413 -1.797 -3.594 1.00 0.00 C ATOM 363 C MET A 26 8.249 -0.812 -3.609 1.00 0.00 C ATOM 364 O MET A 26 8.156 0.067 -2.752 1.00 0.00 O ATOM 365 CB MET A 26 8.939 -3.158 -3.079 1.00 0.00 C ATOM 366 CG MET A 26 9.668 -4.334 -3.708 1.00 0.00 C ATOM 367 SD MET A 26 8.835 -5.905 -3.414 1.00 0.00 S ATOM 368 CE MET A 26 7.429 -5.755 -4.514 1.00 0.00 C ATOM 0 H MET A 26 10.249 -1.094 -1.804 1.00 0.00 H new ATOM 0 HA MET A 26 9.782 -1.911 -4.613 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.073 -3.195 -1.998 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.871 -3.258 -3.272 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.756 -4.169 -4.782 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.681 -4.384 -3.309 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.989 -6.739 -4.679 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.685 -5.096 -4.066 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.756 -5.339 -5.467 1.00 0.00 H new ATOM 378 N HIS A 27 7.363 -0.964 -4.589 1.00 0.00 N ATOM 379 CA HIS A 27 6.205 -0.087 -4.714 1.00 0.00 C ATOM 380 C HIS A 27 4.913 -0.849 -4.435 1.00 0.00 C ATOM 381 O HIS A 27 4.703 -1.945 -4.956 1.00 0.00 O ATOM 382 CB HIS A 27 6.154 0.529 -6.113 1.00 0.00 C ATOM 383 CG HIS A 27 6.963 1.783 -6.244 1.00 0.00 C ATOM 384 ND1 HIS A 27 7.006 2.532 -7.401 1.00 0.00 N ATOM 385 CD2 HIS A 27 7.760 2.420 -5.355 1.00 0.00 C ATOM 386 CE1 HIS A 27 7.797 3.575 -7.218 1.00 0.00 C ATOM 387 NE2 HIS A 27 8.267 3.530 -5.985 1.00 0.00 N ATOM 0 H HIS A 27 7.425 -1.686 -5.307 1.00 0.00 H new ATOM 0 HA HIS A 27 6.303 0.710 -3.977 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.513 -0.203 -6.837 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.117 0.747 -6.368 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.960 2.113 -4.339 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.021 4.335 -7.952 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.903 4.209 -5.568 1.00 0.00 H new ATOM 395 N CYS A 28 4.053 -0.264 -3.609 1.00 0.00 N ATOM 396 CA CYS A 28 2.782 -0.889 -3.259 1.00 0.00 C ATOM 397 C CYS A 28 1.717 0.166 -2.977 1.00 0.00 C ATOM 398 O CYS A 28 2.027 1.344 -2.801 1.00 0.00 O ATOM 399 CB CYS A 28 2.955 -1.795 -2.039 1.00 0.00 C ATOM 400 SG CYS A 28 3.624 -0.955 -0.584 1.00 0.00 S ATOM 0 H CYS A 28 4.212 0.642 -3.169 1.00 0.00 H new ATOM 0 HA CYS A 28 2.455 -1.491 -4.107 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.989 -2.229 -1.782 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.615 -2.621 -2.304 1.00 0.00 H new ATOM 0 HG CYS A 28 4.098 0.204 -0.932 1.00 0.00 H new ATOM 406 N ALA A 29 0.461 -0.266 -2.937 1.00 0.00 N ATOM 407 CA ALA A 29 -0.650 0.641 -2.676 1.00 0.00 C ATOM 408 C ALA A 29 -1.187 0.459 -1.261 1.00 0.00 C ATOM 409 O ALA A 29 -1.415 -0.664 -0.812 1.00 0.00 O ATOM 410 CB ALA A 29 -1.760 0.422 -3.695 1.00 0.00 C ATOM 0 H ALA A 29 0.187 -1.238 -3.082 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.282 1.663 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.583 1.106 -3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.376 0.609 -4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.117 -0.606 -3.629 1.00 0.00 H new ATOM 416 N VAL A 30 -1.385 1.571 -0.560 1.00 0.00 N ATOM 417 CA VAL A 30 -1.894 1.535 0.805 1.00 0.00 C ATOM 418 C VAL A 30 -3.342 2.011 0.864 1.00 0.00 C ATOM 419 O VAL A 30 -3.682 3.067 0.332 1.00 0.00 O ATOM 420 CB VAL A 30 -1.040 2.405 1.747 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.734 3.748 1.102 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.744 2.593 3.082 1.00 0.00 C ATOM 0 H VAL A 30 -1.200 2.509 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.841 0.497 1.135 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.095 1.893 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.130 4.349 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.186 3.589 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.667 4.270 0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.127 3.210 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.704 3.083 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.906 1.621 3.548 1.00 0.00 H new ATOM 432 N LYS A 31 -4.191 1.224 1.517 1.00 0.00 N ATOM 433 CA LYS A 31 -5.603 1.565 1.648 1.00 0.00 C ATOM 434 C LYS A 31 -5.897 2.141 3.030 1.00 0.00 C ATOM 435 O LYS A 31 -5.569 1.532 4.049 1.00 0.00 O ATOM 436 CB LYS A 31 -6.472 0.329 1.404 1.00 0.00 C ATOM 437 CG LYS A 31 -7.930 0.528 1.778 1.00 0.00 C ATOM 438 CD LYS A 31 -8.629 -0.799 2.023 1.00 0.00 C ATOM 439 CE LYS A 31 -9.748 -0.660 3.043 1.00 0.00 C ATOM 440 NZ LYS A 31 -9.258 -0.093 4.330 1.00 0.00 N ATOM 0 H LYS A 31 -3.926 0.346 1.964 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.840 2.322 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.410 0.054 0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.069 -0.507 1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.996 1.146 2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.441 1.068 0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.036 -1.176 1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.904 -1.534 2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.531 -0.019 2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.198 -1.636 3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.924 -0.335 5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.322 -0.489 4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.186 0.941 4.249 1.00 0.00 H new ATOM 454 N ILE A 32 -6.517 3.316 3.056 1.00 0.00 N ATOM 455 CA ILE A 32 -6.857 3.972 4.313 1.00 0.00 C ATOM 456 C ILE A 32 -8.158 3.421 4.885 1.00 0.00 C ATOM 457 O ILE A 32 -9.030 2.966 4.145 1.00 0.00 O ATOM 458 CB ILE A 32 -6.991 5.495 4.134 1.00 0.00 C ATOM 459 CG1 ILE A 32 -5.722 6.071 3.503 1.00 0.00 C ATOM 460 CG2 ILE A 32 -7.274 6.162 5.472 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.971 7.303 2.661 1.00 0.00 C ATOM 0 H ILE A 32 -6.794 3.833 2.222 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.042 3.767 5.008 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.828 5.695 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.013 6.318 4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.255 5.306 2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.366 7.239 5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.203 5.770 5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.455 5.956 6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.027 7.657 2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.655 7.057 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.410 8.085 3.281 1.00 0.00 H new ATOM 473 N GLN A 33 -8.283 3.468 6.208 1.00 0.00 N ATOM 474 CA GLN A 33 -9.480 2.975 6.880 1.00 0.00 C ATOM 475 C GLN A 33 -10.450 4.115 7.170 1.00 0.00 C ATOM 476 O GLN A 33 -11.626 4.048 6.813 1.00 0.00 O ATOM 477 CB GLN A 33 -9.104 2.265 8.181 1.00 0.00 C ATOM 478 CG GLN A 33 -8.399 3.165 9.183 1.00 0.00 C ATOM 479 CD GLN A 33 -7.777 2.390 10.328 1.00 0.00 C ATOM 480 OE1 GLN A 33 -8.457 1.632 11.021 1.00 0.00 O ATOM 481 NE2 GLN A 33 -6.479 2.576 10.534 1.00 0.00 N ATOM 0 H GLN A 33 -7.571 3.842 6.835 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.972 2.264 6.216 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.007 1.862 8.640 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.459 1.418 7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.623 3.734 8.671 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.112 3.886 9.583 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.954 3.214 9.936 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.007 2.081 11.291 1.00 0.00 H new ATOM 490 N ASP A 34 -9.950 5.160 7.820 1.00 0.00 N ATOM 491 CA ASP A 34 -10.772 6.315 8.159 1.00 0.00 C ATOM 492 C ASP A 34 -11.393 6.926 6.906 1.00 0.00 C ATOM 493 O ASP A 34 -12.360 7.684 6.985 1.00 0.00 O ATOM 494 CB ASP A 34 -9.937 7.366 8.892 1.00 0.00 C ATOM 495 CG ASP A 34 -10.653 8.696 9.010 1.00 0.00 C ATOM 496 OD1 ASP A 34 -10.897 9.334 7.964 1.00 0.00 O ATOM 497 OD2 ASP A 34 -10.971 9.100 10.148 1.00 0.00 O ATOM 0 H ASP A 34 -8.979 5.231 8.123 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.575 5.978 8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.691 7.000 9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.995 7.510 8.364 1.00 0.00 H new ATOM 502 N LYS A 35 -10.830 6.591 5.750 1.00 0.00 N ATOM 503 CA LYS A 35 -11.328 7.105 4.479 1.00 0.00 C ATOM 504 C LYS A 35 -11.592 5.968 3.498 1.00 0.00 C ATOM 505 O LYS A 35 -11.418 4.796 3.830 1.00 0.00 O ATOM 506 CB LYS A 35 -10.324 8.091 3.876 1.00 0.00 C ATOM 507 CG LYS A 35 -9.806 9.116 4.870 1.00 0.00 C ATOM 508 CD LYS A 35 -10.899 10.085 5.292 1.00 0.00 C ATOM 509 CE LYS A 35 -11.191 11.104 4.202 1.00 0.00 C ATOM 510 NZ LYS A 35 -12.521 11.748 4.386 1.00 0.00 N ATOM 0 H LYS A 35 -10.028 5.966 5.667 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.268 7.623 4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.480 7.534 3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.795 8.612 3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.412 8.605 5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.979 9.670 4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.808 9.531 5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.597 10.602 6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.414 11.869 4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.156 10.615 3.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.682 12.436 3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.265 11.022 4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.546 12.237 5.304 1.00 0.00 H new ATOM 524 N ASN A 36 -12.011 6.322 2.287 1.00 0.00 N ATOM 525 CA ASN A 36 -12.298 5.330 1.257 1.00 0.00 C ATOM 526 C ASN A 36 -11.482 5.604 -0.003 1.00 0.00 C ATOM 527 O ASN A 36 -11.964 5.409 -1.119 1.00 0.00 O ATOM 528 CB ASN A 36 -13.790 5.329 0.923 1.00 0.00 C ATOM 529 CG ASN A 36 -14.182 4.167 0.030 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.847 3.016 0.308 1.00 0.00 O ATOM 531 ND2 ASN A 36 -14.895 4.465 -1.050 1.00 0.00 N ATOM 0 H ASN A 36 -12.159 7.288 1.995 1.00 0.00 H new ATOM 0 HA ASN A 36 -12.019 4.349 1.643 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.366 5.284 1.847 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -14.050 6.266 0.430 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.187 3.725 -1.688 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.150 5.434 -1.241 1.00 0.00 H new ATOM 538 N GLN A 37 -10.247 6.055 0.184 1.00 0.00 N ATOM 539 CA GLN A 37 -9.365 6.355 -0.938 1.00 0.00 C ATOM 540 C GLN A 37 -8.130 5.461 -0.914 1.00 0.00 C ATOM 541 O GLN A 37 -7.690 5.022 0.149 1.00 0.00 O ATOM 542 CB GLN A 37 -8.945 7.825 -0.905 1.00 0.00 C ATOM 543 CG GLN A 37 -9.990 8.769 -1.479 1.00 0.00 C ATOM 544 CD GLN A 37 -9.778 10.207 -1.047 1.00 0.00 C ATOM 545 OE1 GLN A 37 -8.650 10.630 -0.789 1.00 0.00 O ATOM 546 NE2 GLN A 37 -10.863 10.967 -0.966 1.00 0.00 N ATOM 0 H GLN A 37 -9.834 6.221 1.102 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.913 6.162 -1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.736 8.111 0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.016 7.942 -1.463 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.966 8.713 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.981 8.442 -1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.778 10.575 -1.189 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.782 11.943 -0.681 1.00 0.00 H new ATOM 555 N TRP A 38 -7.575 5.195 -2.091 1.00 0.00 N ATOM 556 CA TRP A 38 -6.390 4.352 -2.204 1.00 0.00 C ATOM 557 C TRP A 38 -5.145 5.195 -2.456 1.00 0.00 C ATOM 558 O TRP A 38 -5.116 6.018 -3.371 1.00 0.00 O ATOM 559 CB TRP A 38 -6.569 3.335 -3.333 1.00 0.00 C ATOM 560 CG TRP A 38 -7.285 2.091 -2.903 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.636 1.913 -2.812 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.687 0.852 -2.504 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.914 0.638 -2.380 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.736 -0.033 -2.185 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.369 0.404 -2.387 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.504 -1.337 -1.757 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.141 -0.890 -1.961 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.204 -1.749 -1.651 1.00 0.00 C ATOM 0 H TRP A 38 -7.926 5.551 -2.980 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.261 3.820 -1.261 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -7.123 3.801 -4.148 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.590 3.064 -3.727 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.377 2.663 -3.045 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.847 0.254 -2.229 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.543 1.058 -2.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.322 -2.000 -1.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.126 -1.246 -1.865 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.993 -2.756 -1.322 1.00 0.00 H new ATOM 579 N ARG A 39 -4.118 4.985 -1.638 1.00 0.00 N ATOM 580 CA ARG A 39 -2.870 5.727 -1.772 1.00 0.00 C ATOM 581 C ARG A 39 -1.720 4.794 -2.138 1.00 0.00 C ATOM 582 O ARG A 39 -1.890 3.576 -2.200 1.00 0.00 O ATOM 583 CB ARG A 39 -2.549 6.465 -0.472 1.00 0.00 C ATOM 584 CG ARG A 39 -3.297 7.779 -0.317 1.00 0.00 C ATOM 585 CD ARG A 39 -2.759 8.592 0.850 1.00 0.00 C ATOM 586 NE ARG A 39 -2.895 7.884 2.120 1.00 0.00 N ATOM 587 CZ ARG A 39 -2.678 8.448 3.303 1.00 0.00 C ATOM 588 NH1 ARG A 39 -2.317 9.721 3.378 1.00 0.00 N ATOM 589 NH2 ARG A 39 -2.823 7.737 4.414 1.00 0.00 N ATOM 0 H ARG A 39 -4.126 4.307 -0.876 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.993 6.455 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.789 5.818 0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.477 6.660 -0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.211 8.359 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.358 7.579 -0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.709 8.825 0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.291 9.542 0.906 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.172 6.903 2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.205 10.270 2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.151 10.151 4.288 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.101 6.757 4.360 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.656 8.170 5.322 1.00 0.00 H new ATOM 603 N ARG A 40 -0.548 5.373 -2.378 1.00 0.00 N ATOM 604 CA ARG A 40 0.630 4.594 -2.739 1.00 0.00 C ATOM 605 C ARG A 40 1.779 4.867 -1.773 1.00 0.00 C ATOM 606 O ARG A 40 1.852 5.934 -1.164 1.00 0.00 O ATOM 607 CB ARG A 40 1.064 4.919 -4.170 1.00 0.00 C ATOM 608 CG ARG A 40 0.006 4.604 -5.214 1.00 0.00 C ATOM 609 CD ARG A 40 0.583 4.642 -6.620 1.00 0.00 C ATOM 610 NE ARG A 40 0.691 6.006 -7.131 1.00 0.00 N ATOM 611 CZ ARG A 40 1.200 6.308 -8.320 1.00 0.00 C ATOM 612 NH1 ARG A 40 1.646 5.346 -9.117 1.00 0.00 N ATOM 613 NH2 ARG A 40 1.264 7.573 -8.714 1.00 0.00 N ATOM 0 H ARG A 40 -0.389 6.379 -2.329 1.00 0.00 H new ATOM 0 HA ARG A 40 0.369 3.537 -2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.319 5.977 -4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.970 4.358 -4.402 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.417 3.618 -5.019 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.810 5.322 -5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.568 4.176 -6.620 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.048 4.054 -7.287 1.00 0.00 H new ATOM 0 HE ARG A 40 0.357 6.769 -6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.598 4.372 -8.817 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.037 5.580 -10.030 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.922 8.315 -8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.655 7.804 -9.627 1.00 0.00 H new ATOM 627 N GLY A 41 2.675 3.894 -1.637 1.00 0.00 N ATOM 628 CA GLY A 41 3.808 4.049 -0.743 1.00 0.00 C ATOM 629 C GLY A 41 5.003 3.220 -1.173 1.00 0.00 C ATOM 630 O GLY A 41 4.855 2.237 -1.897 1.00 0.00 O ATOM 0 H GLY A 41 2.637 3.002 -2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.094 5.100 -0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.513 3.760 0.266 1.00 0.00 H new ATOM 634 N GLN A 42 6.189 3.620 -0.727 1.00 0.00 N ATOM 635 CA GLN A 42 7.414 2.908 -1.072 1.00 0.00 C ATOM 636 C GLN A 42 7.971 2.164 0.138 1.00 0.00 C ATOM 637 O GLN A 42 8.387 2.780 1.120 1.00 0.00 O ATOM 638 CB GLN A 42 8.461 3.884 -1.611 1.00 0.00 C ATOM 639 CG GLN A 42 9.715 3.202 -2.135 1.00 0.00 C ATOM 640 CD GLN A 42 10.706 4.182 -2.731 1.00 0.00 C ATOM 641 OE1 GLN A 42 10.347 5.303 -3.094 1.00 0.00 O ATOM 642 NE2 GLN A 42 11.962 3.764 -2.836 1.00 0.00 N ATOM 0 H GLN A 42 6.328 4.433 -0.126 1.00 0.00 H new ATOM 0 HA GLN A 42 7.175 2.178 -1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.017 4.475 -2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.739 4.579 -0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.194 2.656 -1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.436 2.468 -2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.216 2.827 -2.523 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.673 4.380 -3.230 1.00 0.00 H new ATOM 651 N ILE A 43 7.975 0.838 0.059 1.00 0.00 N ATOM 652 CA ILE A 43 8.481 0.011 1.148 1.00 0.00 C ATOM 653 C ILE A 43 9.754 0.603 1.743 1.00 0.00 C ATOM 654 O ILE A 43 10.851 0.388 1.226 1.00 0.00 O ATOM 655 CB ILE A 43 8.769 -1.427 0.675 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.501 -2.062 0.102 1.00 0.00 C ATOM 657 CG2 ILE A 43 9.315 -2.262 1.823 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.376 -2.178 1.106 1.00 0.00 C ATOM 0 H ILE A 43 7.634 0.313 -0.747 1.00 0.00 H new ATOM 0 HA ILE A 43 7.704 -0.015 1.912 1.00 0.00 H new ATOM 0 HB ILE A 43 9.522 -1.391 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.160 -1.470 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.742 -3.055 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.514 -3.275 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.240 -1.817 2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.583 -2.293 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.509 -2.637 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.699 -2.795 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.108 -1.186 1.468 1.00 0.00 H new ATOM 670 N ILE A 44 9.600 1.349 2.832 1.00 0.00 N ATOM 671 CA ILE A 44 10.737 1.970 3.499 1.00 0.00 C ATOM 672 C ILE A 44 11.544 0.940 4.283 1.00 0.00 C ATOM 673 O ILE A 44 12.685 0.635 3.935 1.00 0.00 O ATOM 674 CB ILE A 44 10.286 3.089 4.456 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.666 4.245 3.668 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.461 3.579 5.289 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.242 5.409 4.536 1.00 0.00 C ATOM 0 H ILE A 44 8.699 1.538 3.271 1.00 0.00 H new ATOM 0 HA ILE A 44 11.364 2.402 2.719 1.00 0.00 H new ATOM 0 HB ILE A 44 9.530 2.687 5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.385 4.597 2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.799 3.877 3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.126 4.370 5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.862 2.752 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.237 3.967 4.630 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.811 6.191 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.499 5.072 5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.110 5.804 5.065 1.00 0.00 H new ATOM 689 N ARG A 45 10.943 0.407 5.341 1.00 0.00 N ATOM 690 CA ARG A 45 11.606 -0.589 6.174 1.00 0.00 C ATOM 691 C ARG A 45 10.583 -1.454 6.905 1.00 0.00 C ATOM 692 O ARG A 45 9.707 -0.942 7.601 1.00 0.00 O ATOM 693 CB ARG A 45 12.528 0.093 7.187 1.00 0.00 C ATOM 694 CG ARG A 45 11.804 0.604 8.422 1.00 0.00 C ATOM 695 CD ARG A 45 12.654 1.603 9.192 1.00 0.00 C ATOM 696 NE ARG A 45 13.615 0.940 10.071 1.00 0.00 N ATOM 697 CZ ARG A 45 14.423 1.592 10.900 1.00 0.00 C ATOM 698 NH1 ARG A 45 14.386 2.916 10.963 1.00 0.00 N ATOM 699 NH2 ARG A 45 15.269 0.919 11.668 1.00 0.00 N ATOM 0 H ARG A 45 9.999 0.648 5.642 1.00 0.00 H new ATOM 0 HA ARG A 45 12.202 -1.230 5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.300 -0.612 7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.033 0.928 6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.866 1.074 8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.550 -0.235 9.070 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.187 2.243 8.489 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.007 2.250 9.784 1.00 0.00 H new ATOM 0 HE ARG A 45 13.668 -0.078 10.047 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.736 3.437 10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.008 3.414 11.600 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.300 -0.100 11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.889 1.420 12.304 1.00 0.00 H new ATOM 713 N MET A 46 10.701 -2.768 6.740 1.00 0.00 N ATOM 714 CA MET A 46 9.786 -3.704 7.384 1.00 0.00 C ATOM 715 C MET A 46 10.003 -3.723 8.894 1.00 0.00 C ATOM 716 O MET A 46 11.068 -4.113 9.373 1.00 0.00 O ATOM 717 CB MET A 46 9.975 -5.110 6.811 1.00 0.00 C ATOM 718 CG MET A 46 9.157 -5.370 5.557 1.00 0.00 C ATOM 719 SD MET A 46 8.736 -7.111 5.351 1.00 0.00 S ATOM 720 CE MET A 46 7.502 -7.316 6.632 1.00 0.00 C ATOM 0 H MET A 46 11.420 -3.208 6.166 1.00 0.00 H new ATOM 0 HA MET A 46 8.767 -3.373 7.186 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.030 -5.262 6.585 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.703 -5.843 7.571 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.241 -4.781 5.597 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.717 -5.030 4.686 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.707 -8.229 7.191 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.534 -6.461 7.308 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.513 -7.383 6.178 1.00 0.00 H new ATOM 730 N VAL A 47 8.987 -3.301 9.639 1.00 0.00 N ATOM 731 CA VAL A 47 9.066 -3.271 11.094 1.00 0.00 C ATOM 732 C VAL A 47 8.814 -4.653 11.687 1.00 0.00 C ATOM 733 O VAL A 47 9.734 -5.308 12.177 1.00 0.00 O ATOM 734 CB VAL A 47 8.054 -2.275 11.691 1.00 0.00 C ATOM 735 CG1 VAL A 47 8.212 -2.194 13.202 1.00 0.00 C ATOM 736 CG2 VAL A 47 8.219 -0.903 11.056 1.00 0.00 C ATOM 0 H VAL A 47 8.099 -2.975 9.258 1.00 0.00 H new ATOM 0 HA VAL A 47 10.075 -2.948 11.349 1.00 0.00 H new ATOM 0 HB VAL A 47 7.048 -2.632 11.473 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.489 -1.486 13.606 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.040 -3.178 13.639 1.00 0.00 H new ATOM 0 HG13 VAL A 47 9.221 -1.861 13.445 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.496 -0.212 11.490 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.228 -0.535 11.241 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.051 -0.977 9.982 1.00 0.00 H new ATOM 746 N THR A 48 7.560 -5.091 11.639 1.00 0.00 N ATOM 747 CA THR A 48 7.185 -6.395 12.171 1.00 0.00 C ATOM 748 C THR A 48 6.593 -7.284 11.083 1.00 0.00 C ATOM 749 O THR A 48 6.526 -6.893 9.918 1.00 0.00 O ATOM 750 CB THR A 48 6.166 -6.261 13.319 1.00 0.00 C ATOM 751 OG1 THR A 48 4.978 -5.616 12.847 1.00 0.00 O ATOM 752 CG2 THR A 48 6.755 -5.467 14.475 1.00 0.00 C ATOM 0 H THR A 48 6.787 -4.561 11.237 1.00 0.00 H new ATOM 0 HA THR A 48 8.096 -6.854 12.555 1.00 0.00 H new ATOM 0 HB THR A 48 5.919 -7.261 13.675 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.192 -6.049 13.241 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.018 -5.385 15.274 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.642 -5.976 14.851 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.028 -4.470 14.130 1.00 0.00 H new ATOM 760 N ASP A 49 6.166 -8.480 11.471 1.00 0.00 N ATOM 761 CA ASP A 49 5.578 -9.425 10.528 1.00 0.00 C ATOM 762 C ASP A 49 4.194 -8.960 10.086 1.00 0.00 C ATOM 763 O ASP A 49 3.583 -9.552 9.195 1.00 0.00 O ATOM 764 CB ASP A 49 5.486 -10.816 11.157 1.00 0.00 C ATOM 765 CG ASP A 49 5.181 -10.761 12.641 1.00 0.00 C ATOM 766 OD1 ASP A 49 6.136 -10.658 13.440 1.00 0.00 O ATOM 767 OD2 ASP A 49 3.988 -10.820 13.004 1.00 0.00 O ATOM 0 H ASP A 49 6.216 -8.819 12.432 1.00 0.00 H new ATOM 0 HA ASP A 49 6.223 -9.474 9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.710 -11.390 10.651 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.426 -11.345 11.002 1.00 0.00 H new ATOM 772 N THR A 50 3.702 -7.897 10.715 1.00 0.00 N ATOM 773 CA THR A 50 2.389 -7.355 10.389 1.00 0.00 C ATOM 774 C THR A 50 2.479 -5.875 10.035 1.00 0.00 C ATOM 775 O THR A 50 1.660 -5.357 9.274 1.00 0.00 O ATOM 776 CB THR A 50 1.401 -7.534 11.556 1.00 0.00 C ATOM 777 OG1 THR A 50 1.940 -6.950 12.748 1.00 0.00 O ATOM 778 CG2 THR A 50 1.107 -9.007 11.795 1.00 0.00 C ATOM 0 H THR A 50 4.194 -7.394 11.454 1.00 0.00 H new ATOM 0 HA THR A 50 2.023 -7.911 9.526 1.00 0.00 H new ATOM 0 HB THR A 50 0.469 -7.032 11.295 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.305 -7.067 13.485 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.407 -9.108 12.624 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.670 -9.441 10.896 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.033 -9.528 12.037 1.00 0.00 H new ATOM 786 N LEU A 51 3.477 -5.198 10.592 1.00 0.00 N ATOM 787 CA LEU A 51 3.674 -3.775 10.335 1.00 0.00 C ATOM 788 C LEU A 51 4.791 -3.555 9.319 1.00 0.00 C ATOM 789 O LEU A 51 5.709 -4.367 9.205 1.00 0.00 O ATOM 790 CB LEU A 51 4.001 -3.042 11.637 1.00 0.00 C ATOM 791 CG LEU A 51 3.021 -3.253 12.791 1.00 0.00 C ATOM 792 CD1 LEU A 51 3.599 -2.711 14.088 1.00 0.00 C ATOM 793 CD2 LEU A 51 1.684 -2.594 12.483 1.00 0.00 C ATOM 0 H LEU A 51 4.162 -5.611 11.224 1.00 0.00 H new ATOM 0 HA LEU A 51 2.748 -3.374 9.922 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.992 -3.354 11.967 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.057 -1.974 11.425 1.00 0.00 H new ATOM 0 HG LEU A 51 2.856 -4.324 12.911 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.887 -2.870 14.898 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.530 -3.230 14.316 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.795 -1.644 13.981 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.999 -2.754 13.315 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.831 -1.524 12.335 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.263 -3.031 11.577 1.00 0.00 H new ATOM 805 N VAL A 52 4.706 -2.450 8.585 1.00 0.00 N ATOM 806 CA VAL A 52 5.711 -2.121 7.581 1.00 0.00 C ATOM 807 C VAL A 52 5.778 -0.616 7.344 1.00 0.00 C ATOM 808 O VAL A 52 4.752 0.042 7.178 1.00 0.00 O ATOM 809 CB VAL A 52 5.422 -2.828 6.244 1.00 0.00 C ATOM 810 CG1 VAL A 52 6.196 -2.169 5.113 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.759 -4.308 6.341 1.00 0.00 C ATOM 0 H VAL A 52 3.952 -1.768 8.667 1.00 0.00 H new ATOM 0 HA VAL A 52 6.669 -2.469 7.967 1.00 0.00 H new ATOM 0 HB VAL A 52 4.358 -2.735 6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.979 -2.682 4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.900 -1.123 5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.264 -2.229 5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.549 -4.792 5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.815 -4.426 6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.155 -4.768 7.123 1.00 0.00 H new ATOM 821 N GLU A 53 6.994 -0.079 7.328 1.00 0.00 N ATOM 822 CA GLU A 53 7.195 1.349 7.111 1.00 0.00 C ATOM 823 C GLU A 53 7.211 1.676 5.620 1.00 0.00 C ATOM 824 O GLU A 53 8.002 1.119 4.860 1.00 0.00 O ATOM 825 CB GLU A 53 8.503 1.808 7.759 1.00 0.00 C ATOM 826 CG GLU A 53 8.476 3.253 8.227 1.00 0.00 C ATOM 827 CD GLU A 53 9.613 3.580 9.176 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.626 3.033 10.298 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.490 4.383 8.795 1.00 0.00 O ATOM 0 H GLU A 53 7.854 -0.611 7.463 1.00 0.00 H new ATOM 0 HA GLU A 53 6.363 1.881 7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.723 1.163 8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.317 1.681 7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.529 3.913 7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.526 3.453 8.722 1.00 0.00 H new ATOM 836 N VAL A 54 6.330 2.583 5.209 1.00 0.00 N ATOM 837 CA VAL A 54 6.243 2.985 3.811 1.00 0.00 C ATOM 838 C VAL A 54 6.313 4.502 3.669 1.00 0.00 C ATOM 839 O VAL A 54 6.058 5.238 4.624 1.00 0.00 O ATOM 840 CB VAL A 54 4.940 2.480 3.162 1.00 0.00 C ATOM 841 CG1 VAL A 54 5.081 1.024 2.746 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.767 2.661 4.113 1.00 0.00 C ATOM 0 H VAL A 54 5.667 3.053 5.825 1.00 0.00 H new ATOM 0 HA VAL A 54 7.094 2.535 3.299 1.00 0.00 H new ATOM 0 HB VAL A 54 4.746 3.071 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.151 0.684 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.894 0.928 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.298 0.414 3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.855 2.299 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.949 2.096 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.655 3.718 4.356 1.00 0.00 H new ATOM 852 N LEU A 55 6.660 4.963 2.473 1.00 0.00 N ATOM 853 CA LEU A 55 6.764 6.394 2.206 1.00 0.00 C ATOM 854 C LEU A 55 5.742 6.827 1.160 1.00 0.00 C ATOM 855 O LEU A 55 5.745 6.334 0.031 1.00 0.00 O ATOM 856 CB LEU A 55 8.176 6.743 1.731 1.00 0.00 C ATOM 857 CG LEU A 55 8.310 8.025 0.909 1.00 0.00 C ATOM 858 CD1 LEU A 55 7.800 9.221 1.699 1.00 0.00 C ATOM 859 CD2 LEU A 55 9.756 8.239 0.487 1.00 0.00 C ATOM 0 H LEU A 55 6.874 4.368 1.673 1.00 0.00 H new ATOM 0 HA LEU A 55 6.557 6.928 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.821 6.827 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.553 5.912 1.135 1.00 0.00 H new ATOM 0 HG LEU A 55 7.702 7.923 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.903 10.125 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.750 9.070 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.381 9.326 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.833 9.156 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.386 8.320 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.087 7.395 -0.118 1.00 0.00 H new ATOM 871 N LEU A 56 4.870 7.754 1.541 1.00 0.00 N ATOM 872 CA LEU A 56 3.843 8.257 0.635 1.00 0.00 C ATOM 873 C LEU A 56 4.440 9.223 -0.382 1.00 0.00 C ATOM 874 O LEU A 56 3.940 10.334 -0.566 1.00 0.00 O ATOM 875 CB LEU A 56 2.733 8.952 1.427 1.00 0.00 C ATOM 876 CG LEU A 56 2.166 8.173 2.614 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.074 8.974 3.305 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.633 6.822 2.159 1.00 0.00 C ATOM 0 H LEU A 56 4.853 8.173 2.471 1.00 0.00 H new ATOM 0 HA LEU A 56 3.420 7.409 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.117 9.904 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.915 9.180 0.744 1.00 0.00 H new ATOM 0 HG LEU A 56 2.970 8.002 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.682 8.404 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.487 9.916 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.269 9.177 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.233 6.281 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.842 6.972 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.441 6.244 1.710 1.00 0.00 H new ATOM 890 N TYR A 57 5.509 8.793 -1.042 1.00 0.00 N ATOM 891 CA TYR A 57 6.175 9.621 -2.041 1.00 0.00 C ATOM 892 C TYR A 57 5.157 10.408 -2.861 1.00 0.00 C ATOM 893 O TYR A 57 5.437 11.516 -3.320 1.00 0.00 O ATOM 894 CB TYR A 57 7.029 8.752 -2.966 1.00 0.00 C ATOM 895 CG TYR A 57 6.274 7.594 -3.578 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.482 7.774 -4.705 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.354 6.320 -3.030 1.00 0.00 C ATOM 898 CE1 TYR A 57 4.790 6.719 -5.267 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.667 5.259 -3.586 1.00 0.00 C ATOM 900 CZ TYR A 57 4.886 5.463 -4.704 1.00 0.00 C ATOM 901 OH TYR A 57 4.199 4.409 -5.262 1.00 0.00 O ATOM 0 H TYR A 57 5.933 7.876 -0.904 1.00 0.00 H new ATOM 0 HA TYR A 57 6.820 10.328 -1.520 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.432 9.374 -3.765 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.879 8.364 -2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.406 8.755 -5.149 1.00 0.00 H new ATOM 0 HD2 TYR A 57 6.964 6.157 -2.154 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.177 6.876 -6.142 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.741 4.275 -3.148 1.00 0.00 H new ATOM 0 HH TYR A 57 4.375 3.594 -4.746 1.00 0.00 H new ATOM 911 N ASP A 58 3.976 9.828 -3.042 1.00 0.00 N ATOM 912 CA ASP A 58 2.915 10.474 -3.805 1.00 0.00 C ATOM 913 C ASP A 58 2.610 11.860 -3.245 1.00 0.00 C ATOM 914 O ASP A 58 2.522 12.837 -3.990 1.00 0.00 O ATOM 915 CB ASP A 58 1.650 9.615 -3.789 1.00 0.00 C ATOM 916 CG ASP A 58 1.279 9.155 -2.393 1.00 0.00 C ATOM 917 OD1 ASP A 58 2.176 8.675 -1.668 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.092 9.277 -2.025 1.00 0.00 O ATOM 0 H ASP A 58 3.729 8.911 -2.670 1.00 0.00 H new ATOM 0 HA ASP A 58 3.257 10.584 -4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.823 10.184 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.798 8.744 -4.428 1.00 0.00 H new ATOM 923 N VAL A 59 2.448 11.938 -1.928 1.00 0.00 N ATOM 924 CA VAL A 59 2.153 13.204 -1.268 1.00 0.00 C ATOM 925 C VAL A 59 3.392 13.770 -0.583 1.00 0.00 C ATOM 926 O VAL A 59 3.688 14.959 -0.695 1.00 0.00 O ATOM 927 CB VAL A 59 1.031 13.045 -0.224 1.00 0.00 C ATOM 928 CG1 VAL A 59 -0.275 12.656 -0.899 1.00 0.00 C ATOM 929 CG2 VAL A 59 1.425 12.017 0.827 1.00 0.00 C ATOM 0 H VAL A 59 2.516 11.139 -1.297 1.00 0.00 H new ATOM 0 HA VAL A 59 1.823 13.895 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 59 0.883 14.003 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.056 12.548 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.562 13.430 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.145 11.710 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.622 11.917 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.601 11.055 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.335 12.343 1.331 1.00 0.00 H new ATOM 939 N GLY A 60 4.115 12.908 0.126 1.00 0.00 N ATOM 940 CA GLY A 60 5.315 13.340 0.818 1.00 0.00 C ATOM 941 C GLY A 60 5.193 13.215 2.323 1.00 0.00 C ATOM 942 O GLY A 60 5.501 14.153 3.059 1.00 0.00 O ATOM 0 H GLY A 60 3.891 11.919 0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.162 12.746 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.527 14.377 0.559 1.00 0.00 H new ATOM 946 N VAL A 61 4.742 12.053 2.784 1.00 0.00 N ATOM 947 CA VAL A 61 4.579 11.808 4.212 1.00 0.00 C ATOM 948 C VAL A 61 5.093 10.425 4.595 1.00 0.00 C ATOM 949 O VAL A 61 4.666 9.416 4.033 1.00 0.00 O ATOM 950 CB VAL A 61 3.104 11.932 4.638 1.00 0.00 C ATOM 951 CG1 VAL A 61 2.899 11.350 6.029 1.00 0.00 C ATOM 952 CG2 VAL A 61 2.655 13.384 4.588 1.00 0.00 C ATOM 0 H VAL A 61 4.483 11.266 2.189 1.00 0.00 H new ATOM 0 HA VAL A 61 5.165 12.566 4.732 1.00 0.00 H new ATOM 0 HB VAL A 61 2.493 11.362 3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.851 11.447 6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.179 10.297 6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.520 11.889 6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.611 13.453 4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.270 13.978 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.763 13.763 3.572 1.00 0.00 H new ATOM 962 N GLU A 62 6.011 10.385 5.556 1.00 0.00 N ATOM 963 CA GLU A 62 6.583 9.124 6.013 1.00 0.00 C ATOM 964 C GLU A 62 5.755 8.532 7.150 1.00 0.00 C ATOM 965 O GLU A 62 5.583 9.155 8.198 1.00 0.00 O ATOM 966 CB GLU A 62 8.027 9.332 6.474 1.00 0.00 C ATOM 967 CG GLU A 62 8.921 9.953 5.414 1.00 0.00 C ATOM 968 CD GLU A 62 10.237 10.451 5.979 1.00 0.00 C ATOM 969 OE1 GLU A 62 10.229 11.014 7.094 1.00 0.00 O ATOM 970 OE2 GLU A 62 11.276 10.277 5.307 1.00 0.00 O ATOM 0 H GLU A 62 6.374 11.211 6.033 1.00 0.00 H new ATOM 0 HA GLU A 62 6.573 8.425 5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.029 9.970 7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.446 8.371 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.120 9.217 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.395 10.783 4.942 1.00 0.00 H new ATOM 977 N LEU A 63 5.244 7.325 6.935 1.00 0.00 N ATOM 978 CA LEU A 63 4.433 6.647 7.940 1.00 0.00 C ATOM 979 C LEU A 63 4.545 5.132 7.799 1.00 0.00 C ATOM 980 O LEU A 63 5.164 4.629 6.861 1.00 0.00 O ATOM 981 CB LEU A 63 2.970 7.075 7.817 1.00 0.00 C ATOM 982 CG LEU A 63 2.084 6.194 6.936 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.644 6.681 6.971 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.607 6.172 5.507 1.00 0.00 C ATOM 0 H LEU A 63 5.377 6.795 6.073 1.00 0.00 H new ATOM 0 HA LEU A 63 4.807 6.930 8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.537 7.107 8.817 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.942 8.092 7.425 1.00 0.00 H new ATOM 0 HG LEU A 63 2.111 5.177 7.328 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.028 6.042 6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.272 6.644 7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.598 7.707 6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.964 5.540 4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.610 7.185 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.622 5.775 5.497 1.00 0.00 H new ATOM 996 N VAL A 64 3.939 4.409 8.735 1.00 0.00 N ATOM 997 CA VAL A 64 3.967 2.951 8.713 1.00 0.00 C ATOM 998 C VAL A 64 2.568 2.372 8.888 1.00 0.00 C ATOM 999 O VAL A 64 1.854 2.718 9.830 1.00 0.00 O ATOM 1000 CB VAL A 64 4.885 2.391 9.817 1.00 0.00 C ATOM 1001 CG1 VAL A 64 4.511 2.976 11.170 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.816 0.872 9.846 1.00 0.00 C ATOM 0 H VAL A 64 3.422 4.809 9.518 1.00 0.00 H new ATOM 0 HA VAL A 64 4.360 2.656 7.740 1.00 0.00 H new ATOM 0 HB VAL A 64 5.912 2.681 9.594 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.170 2.569 11.937 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.616 4.060 11.139 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.478 2.718 11.405 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.470 0.493 10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.791 0.558 10.044 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.137 0.475 8.883 1.00 0.00 H new ATOM 1012 N VAL A 65 2.182 1.487 7.975 1.00 0.00 N ATOM 1013 CA VAL A 65 0.868 0.858 8.028 1.00 0.00 C ATOM 1014 C VAL A 65 0.989 -0.657 8.154 1.00 0.00 C ATOM 1015 O VAL A 65 2.082 -1.212 8.056 1.00 0.00 O ATOM 1016 CB VAL A 65 0.033 1.192 6.777 1.00 0.00 C ATOM 1017 CG1 VAL A 65 0.085 2.684 6.484 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.521 0.388 5.581 1.00 0.00 C ATOM 0 H VAL A 65 2.761 1.189 7.190 1.00 0.00 H new ATOM 0 HA VAL A 65 0.363 1.255 8.909 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.005 0.920 6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.510 2.902 5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.316 3.236 7.334 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.118 2.985 6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.080 0.636 4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.566 0.627 5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.427 -0.677 5.795 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.143 -1.319 8.372 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.164 -2.771 8.511 1.00 0.00 C ATOM 1030 C ASN A 66 -0.279 -3.447 7.149 1.00 0.00 C ATOM 1031 O ASN A 66 -1.123 -3.080 6.331 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.327 -3.201 9.407 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.052 -4.508 10.124 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -0.049 -4.645 10.825 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -1.944 -5.477 9.952 1.00 0.00 N ATOM 0 H ASN A 66 -1.057 -0.874 8.456 1.00 0.00 H new ATOM 0 HA ASN A 66 0.774 -3.081 8.971 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.523 -2.421 10.142 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.229 -3.304 8.803 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.812 -6.379 10.410 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.761 -5.319 9.362 1.00 0.00 H new ATOM 1042 N VAL A 67 0.576 -4.438 6.911 1.00 0.00 N ATOM 1043 CA VAL A 67 0.569 -5.167 5.649 1.00 0.00 C ATOM 1044 C VAL A 67 -0.849 -5.550 5.243 1.00 0.00 C ATOM 1045 O VAL A 67 -1.141 -5.729 4.060 1.00 0.00 O ATOM 1046 CB VAL A 67 1.430 -6.441 5.732 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.901 -6.084 5.877 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.969 -7.319 6.886 1.00 0.00 C ATOM 0 H VAL A 67 1.282 -4.754 7.576 1.00 0.00 H new ATOM 0 HA VAL A 67 0.991 -4.501 4.897 1.00 0.00 H new ATOM 0 HB VAL A 67 1.308 -7.003 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.493 -6.997 5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.220 -5.498 5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.046 -5.500 6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.588 -8.215 6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.061 -6.768 7.822 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.072 -7.604 6.733 1.00 0.00 H new ATOM 1058 N ASP A 68 -1.729 -5.673 6.231 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.119 -6.034 5.977 1.00 0.00 C ATOM 1060 C ASP A 68 -3.776 -5.033 5.031 1.00 0.00 C ATOM 1061 O ASP A 68 -4.548 -5.412 4.150 1.00 0.00 O ATOM 1062 CB ASP A 68 -3.899 -6.101 7.291 1.00 0.00 C ATOM 1063 CG ASP A 68 -5.255 -6.758 7.126 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -6.078 -6.232 6.347 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -5.495 -7.797 7.776 1.00 0.00 O ATOM 0 H ASP A 68 -1.504 -5.528 7.215 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.133 -7.016 5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.317 -6.655 8.028 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.032 -5.093 7.683 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.465 -3.756 5.222 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.027 -2.699 4.387 1.00 0.00 C ATOM 1072 C CYS A 69 -3.239 -2.555 3.089 1.00 0.00 C ATOM 1073 O CYS A 69 -3.785 -2.155 2.060 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.033 -1.371 5.144 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.512 -1.100 6.148 1.00 0.00 S ATOM 0 H CYS A 69 -2.827 -3.427 5.947 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.053 -2.972 4.140 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.156 -1.329 5.790 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.940 -0.556 4.427 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.120 -0.024 5.744 1.00 0.00 H new ATOM 1081 N LEU A 70 -1.953 -2.883 3.144 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.088 -2.788 1.973 1.00 0.00 C ATOM 1083 C LEU A 70 -1.574 -3.713 0.862 1.00 0.00 C ATOM 1084 O LEU A 70 -2.086 -4.801 1.125 1.00 0.00 O ATOM 1085 CB LEU A 70 0.353 -3.138 2.349 1.00 0.00 C ATOM 1086 CG LEU A 70 1.101 -2.096 3.181 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.474 -2.615 3.578 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.225 -0.789 2.412 1.00 0.00 C ATOM 0 H LEU A 70 -1.486 -3.217 3.987 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.123 -1.761 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.345 -4.078 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.915 -3.312 1.431 1.00 0.00 H new ATOM 0 HG LEU A 70 0.530 -1.907 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.991 -1.860 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.362 -3.525 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.054 -2.833 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.760 -0.059 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.773 -0.962 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.231 -0.408 2.179 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.409 -3.273 -0.381 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.830 -4.062 -1.533 1.00 0.00 C ATOM 1102 C ARG A 71 -0.768 -4.033 -2.629 1.00 0.00 C ATOM 1103 O ARG A 71 -0.045 -3.048 -2.783 1.00 0.00 O ATOM 1104 CB ARG A 71 -3.157 -3.535 -2.081 1.00 0.00 C ATOM 1105 CG ARG A 71 -3.906 -4.543 -2.937 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.754 -5.476 -2.087 1.00 0.00 C ATOM 1107 NE ARG A 71 -6.095 -4.944 -1.862 1.00 0.00 N ATOM 1108 CZ ARG A 71 -6.856 -5.282 -0.827 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -6.411 -6.148 0.073 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -8.066 -4.755 -0.692 1.00 0.00 N ATOM 0 H ARG A 71 -0.987 -2.375 -0.616 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.963 -5.093 -1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.792 -3.237 -1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.966 -2.640 -2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.543 -4.016 -3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.194 -5.127 -3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.827 -6.447 -2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.263 -5.639 -1.128 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.468 -4.276 -2.537 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.482 -6.557 -0.028 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.998 -6.406 0.867 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.413 -4.090 -1.383 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.650 -5.015 0.103 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.680 -5.120 -3.388 1.00 0.00 N ATOM 1125 CA LYS A 72 0.292 -5.220 -4.471 1.00 0.00 C ATOM 1126 C LYS A 72 -0.049 -4.253 -5.600 1.00 0.00 C ATOM 1127 O LYS A 72 -1.211 -4.116 -5.984 1.00 0.00 O ATOM 1128 CB LYS A 72 0.341 -6.652 -5.009 1.00 0.00 C ATOM 1129 CG LYS A 72 1.270 -7.564 -4.227 1.00 0.00 C ATOM 1130 CD LYS A 72 1.802 -8.693 -5.093 1.00 0.00 C ATOM 1131 CE LYS A 72 2.933 -8.220 -5.994 1.00 0.00 C ATOM 1132 NZ LYS A 72 3.866 -9.327 -6.341 1.00 0.00 N ATOM 0 H LYS A 72 -1.270 -5.944 -3.273 1.00 0.00 H new ATOM 0 HA LYS A 72 1.271 -4.954 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.665 -7.072 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.660 -6.629 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.104 -6.983 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.738 -7.980 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.157 -9.504 -4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.994 -9.097 -5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.516 -7.797 -6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.485 -7.423 -5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.622 -8.964 -6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.283 -9.715 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.345 -10.077 -6.839 1.00 0.00 H new ATOM 1146 N LEU A 73 0.971 -3.586 -6.129 1.00 0.00 N ATOM 1147 CA LEU A 73 0.779 -2.632 -7.217 1.00 0.00 C ATOM 1148 C LEU A 73 0.781 -3.339 -8.568 1.00 0.00 C ATOM 1149 O LEU A 73 1.839 -3.627 -9.127 1.00 0.00 O ATOM 1150 CB LEU A 73 1.875 -1.566 -7.185 1.00 0.00 C ATOM 1151 CG LEU A 73 1.540 -0.238 -7.866 1.00 0.00 C ATOM 1152 CD1 LEU A 73 0.897 0.721 -6.876 1.00 0.00 C ATOM 1153 CD2 LEU A 73 2.790 0.380 -8.475 1.00 0.00 C ATOM 0 H LEU A 73 1.939 -3.688 -5.823 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.190 -2.153 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.127 -1.364 -6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.768 -1.977 -7.655 1.00 0.00 H new ATOM 0 HG LEU A 73 0.828 -0.432 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.665 1.661 -7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.021 0.281 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.586 0.910 -6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.532 1.324 -8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.526 0.560 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.209 -0.301 -9.216 1.00 0.00 H new ATOM 1165 N GLU A 74 -0.412 -3.615 -9.088 1.00 0.00 N ATOM 1166 CA GLU A 74 -0.546 -4.287 -10.374 1.00 0.00 C ATOM 1167 C GLU A 74 0.096 -3.465 -11.488 1.00 0.00 C ATOM 1168 O GLU A 74 0.243 -2.249 -11.369 1.00 0.00 O ATOM 1169 CB GLU A 74 -2.022 -4.534 -10.694 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.894 -3.300 -10.531 1.00 0.00 C ATOM 1171 CD GLU A 74 -4.340 -3.554 -10.912 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -4.649 -3.530 -12.122 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -5.163 -3.776 -9.999 1.00 0.00 O ATOM 0 H GLU A 74 -1.298 -3.383 -8.638 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.030 -5.245 -10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.107 -4.896 -11.718 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.399 -5.324 -10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.849 -2.962 -9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.496 -2.494 -11.147 1.00 0.00 H new ATOM 1180 N GLU A 75 0.477 -4.139 -12.569 1.00 0.00 N ATOM 1181 CA GLU A 75 1.105 -3.471 -13.702 1.00 0.00 C ATOM 1182 C GLU A 75 0.085 -2.646 -14.481 1.00 0.00 C ATOM 1183 O GLU A 75 0.382 -1.544 -14.940 1.00 0.00 O ATOM 1184 CB GLU A 75 1.761 -4.497 -14.628 1.00 0.00 C ATOM 1185 CG GLU A 75 2.364 -3.888 -15.883 1.00 0.00 C ATOM 1186 CD GLU A 75 3.368 -4.805 -16.553 1.00 0.00 C ATOM 1187 OE1 GLU A 75 3.025 -5.979 -16.805 1.00 0.00 O ATOM 1188 OE2 GLU A 75 4.499 -4.349 -16.825 1.00 0.00 O ATOM 0 H GLU A 75 0.362 -5.146 -12.683 1.00 0.00 H new ATOM 0 HA GLU A 75 1.871 -2.799 -13.315 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.542 -5.023 -14.078 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.018 -5.241 -14.916 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.566 -3.653 -16.587 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.851 -2.947 -15.627 1.00 0.00 H new ATOM 1195 N ASN A 76 -1.120 -3.189 -14.626 1.00 0.00 N ATOM 1196 CA ASN A 76 -2.184 -2.505 -15.350 1.00 0.00 C ATOM 1197 C ASN A 76 -2.363 -1.079 -14.836 1.00 0.00 C ATOM 1198 O ASN A 76 -2.642 -0.160 -15.606 1.00 0.00 O ATOM 1199 CB ASN A 76 -3.499 -3.276 -15.216 1.00 0.00 C ATOM 1200 CG ASN A 76 -4.466 -2.972 -16.344 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -4.541 -3.709 -17.327 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -5.211 -1.882 -16.206 1.00 0.00 N ATOM 0 H ASN A 76 -1.383 -4.101 -14.251 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.902 -2.461 -16.402 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.290 -4.346 -15.199 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.967 -3.028 -14.263 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.880 -1.626 -16.932 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.115 -1.301 -15.373 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.201 -0.904 -13.529 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.344 0.410 -12.910 1.00 0.00 C ATOM 1211 C LEU A 77 -1.004 1.138 -12.864 1.00 0.00 C ATOM 1212 O LEU A 77 -0.937 2.314 -12.504 1.00 0.00 O ATOM 1213 CB LEU A 77 -2.911 0.270 -11.497 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.312 -0.332 -11.392 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -4.675 -0.591 -9.938 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.337 0.585 -12.044 1.00 0.00 C ATOM 0 H LEU A 77 -1.971 -1.654 -12.878 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.035 0.997 -13.515 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.228 -0.346 -10.913 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.926 1.257 -11.034 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.317 -1.285 -11.921 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.676 -1.020 -9.884 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.958 -1.287 -9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.652 0.348 -9.384 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.329 0.140 -11.960 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.330 1.553 -11.543 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.088 0.719 -13.097 1.00 0.00 H new ATOM 1228 N LYS A 78 0.060 0.433 -13.233 1.00 0.00 N ATOM 1229 CA LYS A 78 1.398 1.012 -13.237 1.00 0.00 C ATOM 1230 C LYS A 78 1.642 1.809 -14.515 1.00 0.00 C ATOM 1231 O LYS A 78 2.085 2.957 -14.469 1.00 0.00 O ATOM 1232 CB LYS A 78 2.453 -0.088 -13.100 1.00 0.00 C ATOM 1233 CG LYS A 78 3.758 0.394 -12.492 1.00 0.00 C ATOM 1234 CD LYS A 78 4.619 -0.769 -12.027 1.00 0.00 C ATOM 1235 CE LYS A 78 5.209 -1.532 -13.204 1.00 0.00 C ATOM 1236 NZ LYS A 78 6.456 -2.253 -12.828 1.00 0.00 N ATOM 0 H LYS A 78 0.021 -0.541 -13.533 1.00 0.00 H new ATOM 0 HA LYS A 78 1.476 1.689 -12.387 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.050 -0.892 -12.484 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.655 -0.511 -14.084 1.00 0.00 H new ATOM 0 HG2 LYS A 78 4.307 0.984 -13.226 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.547 1.052 -11.649 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.424 -0.397 -11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.020 -1.445 -11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.475 -2.246 -13.578 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.422 -0.838 -14.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.827 -2.760 -13.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.165 -1.569 -12.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.248 -2.934 -12.070 1.00 0.00 H new ATOM 1250 N THR A 79 1.348 1.193 -15.656 1.00 0.00 N ATOM 1251 CA THR A 79 1.535 1.845 -16.946 1.00 0.00 C ATOM 1252 C THR A 79 0.762 3.157 -17.017 1.00 0.00 C ATOM 1253 O THR A 79 0.995 3.979 -17.902 1.00 0.00 O ATOM 1254 CB THR A 79 1.087 0.935 -18.106 1.00 0.00 C ATOM 1255 OG1 THR A 79 0.959 1.701 -19.309 1.00 0.00 O ATOM 1256 CG2 THR A 79 -0.238 0.261 -17.784 1.00 0.00 C ATOM 0 H THR A 79 0.979 0.244 -15.713 1.00 0.00 H new ATOM 0 HA THR A 79 2.601 2.049 -17.045 1.00 0.00 H new ATOM 0 HB THR A 79 1.844 0.164 -18.247 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.195 2.635 -19.129 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.534 -0.376 -18.617 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.129 -0.345 -16.885 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.002 1.021 -17.619 1.00 0.00 H new ATOM 1264 N MET A 80 -0.160 3.346 -16.078 1.00 0.00 N ATOM 1265 CA MET A 80 -0.967 4.560 -16.034 1.00 0.00 C ATOM 1266 C MET A 80 -0.938 5.181 -14.641 1.00 0.00 C ATOM 1267 O MET A 80 -1.462 4.610 -13.686 1.00 0.00 O ATOM 1268 CB MET A 80 -2.410 4.254 -16.440 1.00 0.00 C ATOM 1269 CG MET A 80 -2.886 2.879 -16.000 1.00 0.00 C ATOM 1270 SD MET A 80 -4.671 2.809 -15.751 1.00 0.00 S ATOM 1271 CE MET A 80 -4.801 3.405 -14.066 1.00 0.00 C ATOM 0 H MET A 80 -0.367 2.675 -15.338 1.00 0.00 H new ATOM 0 HA MET A 80 -0.543 5.274 -16.740 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.067 5.011 -16.013 1.00 0.00 H new ATOM 0 HB3 MET A 80 -2.498 4.330 -17.524 1.00 0.00 H new ATOM 0 HG2 MET A 80 -2.598 2.142 -16.750 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.383 2.604 -15.073 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.679 2.966 -13.591 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.908 3.121 -13.510 1.00 0.00 H new ATOM 0 HE3 MET A 80 -4.896 4.491 -14.070 1.00 0.00 H new ATOM 1281 N GLY A 81 -0.322 6.355 -14.534 1.00 0.00 N ATOM 1282 CA GLY A 81 -0.237 7.033 -13.253 1.00 0.00 C ATOM 1283 C GLY A 81 1.120 6.867 -12.598 1.00 0.00 C ATOM 1284 O GLY A 81 1.357 5.891 -11.886 1.00 0.00 O ATOM 0 H GLY A 81 0.119 6.848 -15.310 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.442 8.094 -13.393 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.008 6.644 -12.588 1.00 0.00 H new ATOM 1288 N ARG A 82 2.013 7.820 -12.841 1.00 0.00 N ATOM 1289 CA ARG A 82 3.355 7.773 -12.272 1.00 0.00 C ATOM 1290 C ARG A 82 3.796 9.157 -11.805 1.00 0.00 C ATOM 1291 O ARG A 82 3.170 10.165 -12.137 1.00 0.00 O ATOM 1292 CB ARG A 82 4.349 7.228 -13.299 1.00 0.00 C ATOM 1293 CG ARG A 82 4.431 8.061 -14.568 1.00 0.00 C ATOM 1294 CD ARG A 82 5.314 7.397 -15.613 1.00 0.00 C ATOM 1295 NE ARG A 82 5.193 8.039 -16.919 1.00 0.00 N ATOM 1296 CZ ARG A 82 5.831 9.157 -17.249 1.00 0.00 C ATOM 1297 NH1 ARG A 82 6.629 9.752 -16.374 1.00 0.00 N ATOM 1298 NH2 ARG A 82 5.670 9.681 -18.458 1.00 0.00 N ATOM 0 H ARG A 82 1.832 8.634 -13.428 1.00 0.00 H new ATOM 0 HA ARG A 82 3.334 7.107 -11.409 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.338 7.177 -12.843 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.066 6.209 -13.561 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.430 8.206 -14.975 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.825 9.049 -14.331 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.353 7.434 -15.286 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.044 6.345 -15.700 1.00 0.00 H new ATOM 0 HE ARG A 82 4.586 7.606 -17.615 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.755 9.352 -15.444 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.117 10.610 -16.630 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.057 9.225 -19.134 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.160 10.539 -18.711 1.00 0.00 H new ATOM 1312 N LEU A 83 4.877 9.199 -11.034 1.00 0.00 N ATOM 1313 CA LEU A 83 5.403 10.459 -10.521 1.00 0.00 C ATOM 1314 C LEU A 83 5.550 11.484 -11.641 1.00 0.00 C ATOM 1315 O LEU A 83 6.420 11.357 -12.502 1.00 0.00 O ATOM 1316 CB LEU A 83 6.754 10.232 -9.841 1.00 0.00 C ATOM 1317 CG LEU A 83 6.708 9.909 -8.348 1.00 0.00 C ATOM 1318 CD1 LEU A 83 6.761 11.187 -7.524 1.00 0.00 C ATOM 1319 CD2 LEU A 83 5.458 9.108 -8.013 1.00 0.00 C ATOM 0 H LEU A 83 5.407 8.375 -10.750 1.00 0.00 H new ATOM 0 HA LEU A 83 4.696 10.848 -9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.263 9.416 -10.353 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.363 11.125 -9.980 1.00 0.00 H new ATOM 0 HG LEU A 83 7.580 9.304 -8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.727 10.938 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.685 11.722 -7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.909 11.818 -7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.442 8.887 -6.946 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.573 9.687 -8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.462 8.175 -8.576 1.00 0.00 H new ATOM 1331 N SER A 84 4.694 12.501 -11.622 1.00 0.00 N ATOM 1332 CA SER A 84 4.728 13.548 -12.637 1.00 0.00 C ATOM 1333 C SER A 84 4.127 14.844 -12.102 1.00 0.00 C ATOM 1334 O SER A 84 2.928 14.918 -11.826 1.00 0.00 O ATOM 1335 CB SER A 84 3.970 13.099 -13.888 1.00 0.00 C ATOM 1336 OG SER A 84 3.822 14.169 -14.806 1.00 0.00 O ATOM 0 H SER A 84 3.969 12.622 -10.915 1.00 0.00 H new ATOM 0 HA SER A 84 5.770 13.733 -12.898 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.504 12.277 -14.365 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.988 12.720 -13.605 1.00 0.00 H new ATOM 0 HG SER A 84 3.336 13.856 -15.597 1.00 0.00 H new ATOM 1342 N LEU A 85 4.966 15.863 -11.957 1.00 0.00 N ATOM 1343 CA LEU A 85 4.519 17.157 -11.455 1.00 0.00 C ATOM 1344 C LEU A 85 3.539 17.809 -12.425 1.00 0.00 C ATOM 1345 O LEU A 85 2.731 18.651 -12.035 1.00 0.00 O ATOM 1346 CB LEU A 85 5.718 18.080 -11.227 1.00 0.00 C ATOM 1347 CG LEU A 85 5.404 19.457 -10.642 1.00 0.00 C ATOM 1348 CD1 LEU A 85 4.971 19.334 -9.189 1.00 0.00 C ATOM 1349 CD2 LEU A 85 6.610 20.377 -10.765 1.00 0.00 C ATOM 0 H LEU A 85 5.960 15.818 -12.180 1.00 0.00 H new ATOM 0 HA LEU A 85 4.008 16.993 -10.506 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.418 17.575 -10.561 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.229 18.220 -12.179 1.00 0.00 H new ATOM 0 HG LEU A 85 4.581 19.892 -11.209 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.752 20.324 -8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.078 18.712 -9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.772 18.878 -8.608 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.368 21.353 -10.343 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.453 19.947 -10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.875 20.492 -11.816 1.00 0.00 H new TER 1361 LEU A 85