USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 834 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 63 THR OG1 : rot 130:sc= -2.39 USER MOD Set 1.2: A 66 GLN : amide:sc= -0.347 K(o=-2.7,f=-4.3!) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0557 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0438 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 7 ASN : amide:sc= -0.0446 X(o=-0.045,f=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0752 X(o=-0.075,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.681 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= -0.0765 (180deg=-0.51) USER MOD Single : A 44 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.2) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0.145 X(o=0.15,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.0875 X(o=-0.087,f=-0.49) USER MOD Single : A 51 TYR OH : rot -81:sc= -2.6! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -30:sc= -0.75 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.526 F(o=-1,f=-0.53) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -7.5! C(o=-7.5!,f=-7.9!) USER MOD Single : A 74 THR OG1 : rot -81:sc= 0.199 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0646 X(o=-0.065,f=-0.077) USER MOD Single : A 82 GLN : amide:sc= 0.336 K(o=0.34,f=-4.1!) USER MOD Single : A 83 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.0063) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.145 K(o=-0.15,f=-2.3!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.0163 K(o=-0.016,f=-1.9) USER MOD Single : A 105 ASN : amide:sc=-0.00513 X(o=-0.0051,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.710 -24.023 42.977 1.00 0.00 N ATOM 2 CA GLY A 1 -22.797 -24.911 43.749 1.00 0.00 C ATOM 3 C GLY A 1 -21.987 -24.153 44.783 1.00 0.00 C ATOM 4 O GLY A 1 -22.349 -23.039 45.161 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.664 -24.436 42.961 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.746 -23.086 43.427 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.358 -23.926 42.003 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.382 -25.684 44.246 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.120 -25.417 43.061 1.00 0.00 H new ATOM 10 N PRO A 2 -20.877 -24.738 45.266 1.00 0.00 N ATOM 11 CA PRO A 2 -20.018 -24.096 46.269 1.00 0.00 C ATOM 12 C PRO A 2 -19.606 -22.686 45.861 1.00 0.00 C ATOM 13 O PRO A 2 -19.593 -21.770 46.683 1.00 0.00 O ATOM 14 CB PRO A 2 -18.796 -25.014 46.331 1.00 0.00 C ATOM 15 CG PRO A 2 -19.298 -26.344 45.888 1.00 0.00 C ATOM 16 CD PRO A 2 -20.369 -26.064 44.871 1.00 0.00 C ATOM 0 HA PRO A 2 -20.527 -23.978 47.226 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -17.998 -24.655 45.681 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -18.387 -25.061 47.340 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -18.495 -26.940 45.455 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -19.697 -26.911 46.729 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -19.968 -26.055 43.857 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -21.155 -26.819 44.896 1.00 0.00 H new ATOM 24 N GLY A 3 -19.270 -22.519 44.586 1.00 0.00 N ATOM 25 CA GLY A 3 -18.861 -21.218 44.089 1.00 0.00 C ATOM 26 C GLY A 3 -19.627 -20.804 42.848 1.00 0.00 C ATOM 27 O GLY A 3 -20.319 -21.618 42.237 1.00 0.00 O ATOM 0 H GLY A 3 -19.274 -23.262 43.887 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -19.009 -20.472 44.869 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -17.795 -21.237 43.864 1.00 0.00 H new ATOM 31 N SER A 4 -19.503 -19.535 42.474 1.00 0.00 N ATOM 32 CA SER A 4 -20.190 -19.013 41.300 1.00 0.00 C ATOM 33 C SER A 4 -19.370 -17.909 40.637 1.00 0.00 C ATOM 34 O SER A 4 -18.536 -17.271 41.278 1.00 0.00 O ATOM 35 CB SER A 4 -21.569 -18.478 41.685 1.00 0.00 C ATOM 36 OG SER A 4 -22.298 -19.438 42.431 1.00 0.00 O ATOM 0 H SER A 4 -18.932 -18.849 42.968 1.00 0.00 H new ATOM 0 HA SER A 4 -20.312 -19.829 40.588 1.00 0.00 H new ATOM 0 HB2 SER A 4 -21.458 -17.565 42.271 1.00 0.00 H new ATOM 0 HB3 SER A 4 -22.124 -18.214 40.785 1.00 0.00 H new ATOM 0 HG SER A 4 -23.176 -19.071 42.667 1.00 0.00 H new ATOM 42 N LEU A 5 -19.614 -17.691 39.348 1.00 0.00 N ATOM 43 CA LEU A 5 -18.899 -16.665 38.599 1.00 0.00 C ATOM 44 C LEU A 5 -19.826 -15.509 38.236 1.00 0.00 C ATOM 45 O LEU A 5 -21.027 -15.556 38.503 1.00 0.00 O ATOM 46 CB LEU A 5 -18.291 -17.263 37.327 1.00 0.00 C ATOM 47 CG LEU A 5 -19.303 -17.848 36.340 1.00 0.00 C ATOM 48 CD1 LEU A 5 -18.815 -17.676 34.910 1.00 0.00 C ATOM 49 CD2 LEU A 5 -19.555 -19.318 36.647 1.00 0.00 C ATOM 0 H LEU A 5 -20.301 -18.211 38.802 1.00 0.00 H new ATOM 0 HA LEU A 5 -18.099 -16.281 39.232 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.716 -16.489 36.819 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.589 -18.047 37.612 1.00 0.00 H new ATOM 0 HG LEU A 5 -20.243 -17.307 36.448 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -19.548 -18.098 34.222 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -18.684 -16.615 34.695 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.862 -18.191 34.786 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -20.277 -19.720 35.936 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -18.620 -19.872 36.566 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -19.949 -19.416 37.659 1.00 0.00 H new ATOM 61 N SER A 6 -19.260 -14.471 37.628 1.00 0.00 N ATOM 62 CA SER A 6 -20.036 -13.304 37.229 1.00 0.00 C ATOM 63 C SER A 6 -20.332 -13.334 35.733 1.00 0.00 C ATOM 64 O SER A 6 -19.826 -14.190 35.008 1.00 0.00 O ATOM 65 CB SER A 6 -19.283 -12.020 37.587 1.00 0.00 C ATOM 66 OG SER A 6 -17.884 -12.192 37.444 1.00 0.00 O ATOM 0 H SER A 6 -18.267 -14.415 37.401 1.00 0.00 H new ATOM 0 HA SER A 6 -20.983 -13.325 37.769 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.620 -11.206 36.945 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.514 -11.733 38.613 1.00 0.00 H new ATOM 0 HG SER A 6 -17.426 -11.357 37.677 1.00 0.00 H new ATOM 72 N ASN A 7 -21.153 -12.393 35.279 1.00 0.00 N ATOM 73 CA ASN A 7 -21.516 -12.310 33.870 1.00 0.00 C ATOM 74 C ASN A 7 -21.905 -10.885 33.490 1.00 0.00 C ATOM 75 O ASN A 7 -22.741 -10.672 32.614 1.00 0.00 O ATOM 76 CB ASN A 7 -22.670 -13.269 33.561 1.00 0.00 C ATOM 77 CG ASN A 7 -22.290 -14.318 32.533 1.00 0.00 C ATOM 78 OD1 ASN A 7 -22.394 -15.519 32.787 1.00 0.00 O ATOM 79 ND2 ASN A 7 -21.849 -13.868 31.364 1.00 0.00 N ATOM 0 H ASN A 7 -21.580 -11.677 35.867 1.00 0.00 H new ATOM 0 HA ASN A 7 -20.646 -12.598 33.279 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -22.985 -13.762 34.480 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -23.525 -12.699 33.196 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -21.580 -14.526 30.633 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -21.779 -12.864 31.197 1.00 0.00 H new ATOM 86 N PHE A 8 -21.291 -9.912 34.156 1.00 0.00 N ATOM 87 CA PHE A 8 -21.572 -8.506 33.889 1.00 0.00 C ATOM 88 C PHE A 8 -20.292 -7.747 33.561 1.00 0.00 C ATOM 89 O PHE A 8 -20.176 -6.553 33.839 1.00 0.00 O ATOM 90 CB PHE A 8 -22.263 -7.866 35.095 1.00 0.00 C ATOM 91 CG PHE A 8 -23.204 -6.754 34.727 1.00 0.00 C ATOM 92 CD1 PHE A 8 -24.170 -6.939 33.751 1.00 0.00 C ATOM 93 CD2 PHE A 8 -23.121 -5.523 35.359 1.00 0.00 C ATOM 94 CE1 PHE A 8 -25.035 -5.917 33.412 1.00 0.00 C ATOM 95 CE2 PHE A 8 -23.982 -4.497 35.024 1.00 0.00 C ATOM 96 CZ PHE A 8 -24.943 -4.693 34.048 1.00 0.00 C ATOM 0 H PHE A 8 -20.595 -10.072 34.885 1.00 0.00 H new ATOM 0 HA PHE A 8 -22.235 -8.452 33.026 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -22.815 -8.634 35.637 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -21.504 -7.479 35.775 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -24.247 -7.893 33.250 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -22.374 -5.365 36.123 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -25.784 -6.074 32.650 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -23.905 -3.542 35.523 1.00 0.00 H new ATOM 0 HZ PHE A 8 -25.619 -3.893 33.784 1.00 0.00 H new ATOM 106 N ALA A 9 -19.328 -8.448 32.970 1.00 0.00 N ATOM 107 CA ALA A 9 -18.054 -7.840 32.604 1.00 0.00 C ATOM 108 C ALA A 9 -17.168 -8.831 31.857 1.00 0.00 C ATOM 109 O ALA A 9 -15.950 -8.847 32.038 1.00 0.00 O ATOM 110 CB ALA A 9 -17.341 -7.323 33.845 1.00 0.00 C ATOM 0 H ALA A 9 -19.406 -9.437 32.735 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.257 -7.001 31.939 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.391 -6.872 33.558 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.963 -6.576 34.338 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -17.157 -8.151 34.530 1.00 0.00 H new ATOM 116 N ASN A 10 -17.786 -9.655 31.019 1.00 0.00 N ATOM 117 CA ASN A 10 -17.053 -10.649 30.244 1.00 0.00 C ATOM 118 C ASN A 10 -17.521 -10.661 28.792 1.00 0.00 C ATOM 119 O ASN A 10 -16.713 -10.569 27.868 1.00 0.00 O ATOM 120 CB ASN A 10 -17.228 -12.039 30.860 1.00 0.00 C ATOM 121 CG ASN A 10 -16.070 -12.963 30.540 1.00 0.00 C ATOM 122 OD1 ASN A 10 -16.102 -13.699 29.553 1.00 0.00 O ATOM 123 ND2 ASN A 10 -15.038 -12.932 31.375 1.00 0.00 N ATOM 0 H ASN A 10 -18.793 -9.654 30.859 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.997 -10.381 30.264 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -17.326 -11.944 31.941 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -18.154 -12.482 30.494 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.231 -13.533 31.210 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.053 -12.307 32.181 1.00 0.00 H new ATOM 130 N VAL A 11 -18.830 -10.776 28.599 1.00 0.00 N ATOM 131 CA VAL A 11 -19.405 -10.802 27.259 1.00 0.00 C ATOM 132 C VAL A 11 -20.081 -9.476 26.927 1.00 0.00 C ATOM 133 O VAL A 11 -20.123 -9.062 25.768 1.00 0.00 O ATOM 134 CB VAL A 11 -20.432 -11.939 27.108 1.00 0.00 C ATOM 135 CG1 VAL A 11 -20.869 -12.075 25.659 1.00 0.00 C ATOM 136 CG2 VAL A 11 -19.857 -13.249 27.626 1.00 0.00 C ATOM 0 H VAL A 11 -19.513 -10.853 29.353 1.00 0.00 H new ATOM 0 HA VAL A 11 -18.582 -10.973 26.566 1.00 0.00 H new ATOM 0 HB VAL A 11 -21.310 -11.693 27.705 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -21.595 -12.884 25.572 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -21.324 -11.142 25.327 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -20.002 -12.297 25.037 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -20.597 -14.041 27.511 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.962 -13.503 27.058 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -19.600 -13.142 28.680 1.00 0.00 H new ATOM 146 N GLY A 12 -20.608 -8.814 27.951 1.00 0.00 N ATOM 147 CA GLY A 12 -21.275 -7.541 27.748 1.00 0.00 C ATOM 148 C GLY A 12 -20.692 -6.436 28.606 1.00 0.00 C ATOM 149 O GLY A 12 -20.901 -6.407 29.819 1.00 0.00 O ATOM 0 H GLY A 12 -20.585 -9.136 28.919 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -21.200 -7.259 26.698 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -22.336 -7.650 27.974 1.00 0.00 H new ATOM 153 N VAL A 13 -19.957 -5.525 27.976 1.00 0.00 N ATOM 154 CA VAL A 13 -19.341 -4.413 28.690 1.00 0.00 C ATOM 155 C VAL A 13 -19.719 -3.077 28.060 1.00 0.00 C ATOM 156 O VAL A 13 -20.329 -3.034 26.992 1.00 0.00 O ATOM 157 CB VAL A 13 -17.806 -4.541 28.711 1.00 0.00 C ATOM 158 CG1 VAL A 13 -17.374 -5.626 29.686 1.00 0.00 C ATOM 159 CG2 VAL A 13 -17.275 -4.826 27.315 1.00 0.00 C ATOM 0 H VAL A 13 -19.774 -5.535 26.973 1.00 0.00 H new ATOM 0 HA VAL A 13 -19.716 -4.448 29.713 1.00 0.00 H new ATOM 0 HB VAL A 13 -17.385 -3.594 29.048 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.287 -5.702 29.687 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -17.721 -5.374 30.688 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.804 -6.580 29.382 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.189 -4.913 27.350 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.702 -5.759 26.947 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.552 -4.011 26.647 1.00 0.00 H new ATOM 169 N GLY A 14 -19.354 -1.988 28.729 1.00 0.00 N ATOM 170 CA GLY A 14 -19.663 -0.666 28.219 1.00 0.00 C ATOM 171 C GLY A 14 -21.153 -0.385 28.203 1.00 0.00 C ATOM 172 O GLY A 14 -21.966 -1.298 28.355 1.00 0.00 O ATOM 0 H GLY A 14 -18.850 -1.998 29.615 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -19.162 0.083 28.832 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -19.267 -0.568 27.208 1.00 0.00 H new ATOM 176 N THR A 15 -21.513 0.881 28.018 1.00 0.00 N ATOM 177 CA THR A 15 -22.915 1.280 27.981 1.00 0.00 C ATOM 178 C THR A 15 -23.472 1.183 26.565 1.00 0.00 C ATOM 179 O THR A 15 -24.440 0.464 26.315 1.00 0.00 O ATOM 180 CB THR A 15 -23.074 2.705 28.509 1.00 0.00 C ATOM 181 OG1 THR A 15 -22.267 2.911 29.654 1.00 0.00 O ATOM 182 CG2 THR A 15 -24.499 3.050 28.884 1.00 0.00 C ATOM 0 H THR A 15 -20.853 1.648 27.891 1.00 0.00 H new ATOM 0 HA THR A 15 -23.478 0.599 28.619 1.00 0.00 H new ATOM 0 HB THR A 15 -22.765 3.351 27.687 1.00 0.00 H new ATOM 0 HG1 THR A 15 -22.383 3.830 29.975 1.00 0.00 H new ATOM 0 HG21 THR A 15 -24.541 4.076 29.251 1.00 0.00 H new ATOM 0 HG22 THR A 15 -25.140 2.952 28.008 1.00 0.00 H new ATOM 0 HG23 THR A 15 -24.845 2.371 29.664 1.00 0.00 H new ATOM 190 N SER A 16 -22.855 1.912 25.640 1.00 0.00 N ATOM 191 CA SER A 16 -23.291 1.910 24.248 1.00 0.00 C ATOM 192 C SER A 16 -22.231 1.285 23.347 1.00 0.00 C ATOM 193 O SER A 16 -22.553 0.596 22.379 1.00 0.00 O ATOM 194 CB SER A 16 -23.595 3.335 23.785 1.00 0.00 C ATOM 195 OG SER A 16 -24.374 4.028 24.745 1.00 0.00 O ATOM 0 H SER A 16 -22.052 2.511 25.829 1.00 0.00 H new ATOM 0 HA SER A 16 -24.199 1.312 24.179 1.00 0.00 H new ATOM 0 HB2 SER A 16 -22.662 3.872 23.613 1.00 0.00 H new ATOM 0 HB3 SER A 16 -24.126 3.306 22.834 1.00 0.00 H new ATOM 0 HG SER A 16 -24.553 4.937 24.426 1.00 0.00 H new ATOM 201 N SER A 17 -20.965 1.531 23.670 1.00 0.00 N ATOM 202 CA SER A 17 -19.858 0.992 22.888 1.00 0.00 C ATOM 203 C SER A 17 -19.900 -0.533 22.864 1.00 0.00 C ATOM 204 O SER A 17 -20.101 -1.176 23.892 1.00 0.00 O ATOM 205 CB SER A 17 -18.522 1.468 23.464 1.00 0.00 C ATOM 206 OG SER A 17 -18.506 2.876 23.621 1.00 0.00 O ATOM 0 H SER A 17 -20.681 2.100 24.467 1.00 0.00 H new ATOM 0 HA SER A 17 -19.956 1.356 21.865 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.347 0.990 24.428 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.709 1.163 22.805 1.00 0.00 H new ATOM 0 HG SER A 17 -17.643 3.154 23.992 1.00 0.00 H new ATOM 212 N GLY A 18 -19.709 -1.104 21.677 1.00 0.00 N ATOM 213 CA GLY A 18 -19.730 -2.549 21.539 1.00 0.00 C ATOM 214 C GLY A 18 -19.102 -3.015 20.239 1.00 0.00 C ATOM 215 O GLY A 18 -19.155 -2.312 19.229 1.00 0.00 O ATOM 0 H GLY A 18 -19.541 -0.592 20.811 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.199 -2.999 22.378 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.760 -2.901 21.588 1.00 0.00 H new ATOM 219 N LYS A 19 -18.508 -4.202 20.263 1.00 0.00 N ATOM 220 CA LYS A 19 -17.868 -4.762 19.078 1.00 0.00 C ATOM 221 C LYS A 19 -18.626 -5.988 18.578 1.00 0.00 C ATOM 222 O LYS A 19 -19.612 -6.409 19.183 1.00 0.00 O ATOM 223 CB LYS A 19 -16.418 -5.136 19.385 1.00 0.00 C ATOM 224 CG LYS A 19 -15.432 -4.006 19.130 1.00 0.00 C ATOM 225 CD LYS A 19 -13.995 -4.497 19.184 1.00 0.00 C ATOM 226 CE LYS A 19 -13.096 -3.691 18.260 1.00 0.00 C ATOM 227 NZ LYS A 19 -12.354 -2.629 18.995 1.00 0.00 N ATOM 0 H LYS A 19 -18.456 -4.796 21.090 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.883 -4.004 18.295 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -16.344 -5.444 20.428 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.137 -5.997 18.778 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.630 -3.563 18.154 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -15.577 -3.221 19.872 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.624 -4.427 20.206 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.958 -5.549 18.902 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.386 -4.358 17.771 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.698 -3.235 17.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.753 -2.102 18.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.031 -1.977 19.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.760 -3.065 19.729 1.00 0.00 H new ATOM 241 N GLN A 20 -18.160 -6.556 17.471 1.00 0.00 N ATOM 242 CA GLN A 20 -18.794 -7.733 16.890 1.00 0.00 C ATOM 243 C GLN A 20 -17.755 -8.648 16.248 1.00 0.00 C ATOM 244 O GLN A 20 -16.556 -8.382 16.315 1.00 0.00 O ATOM 245 CB GLN A 20 -19.838 -7.317 15.853 1.00 0.00 C ATOM 246 CG GLN A 20 -21.226 -7.112 16.434 1.00 0.00 C ATOM 247 CD GLN A 20 -22.140 -8.297 16.188 1.00 0.00 C ATOM 248 OE1 GLN A 20 -23.166 -8.177 15.516 1.00 0.00 O ATOM 249 NE2 GLN A 20 -21.774 -9.451 16.733 1.00 0.00 N ATOM 0 H GLN A 20 -17.345 -6.220 16.958 1.00 0.00 H new ATOM 0 HA GLN A 20 -19.289 -8.282 17.691 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -19.514 -6.393 15.374 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -19.888 -8.079 15.075 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.145 -6.936 17.507 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -21.671 -6.218 15.997 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.916 -9.506 17.282 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -22.350 -10.282 16.602 1.00 0.00 H new ATOM 258 N LYS A 21 -18.226 -9.725 15.628 1.00 0.00 N ATOM 259 CA LYS A 21 -17.337 -10.679 14.975 1.00 0.00 C ATOM 260 C LYS A 21 -16.684 -10.057 13.744 1.00 0.00 C ATOM 261 O LYS A 21 -16.831 -8.863 13.488 1.00 0.00 O ATOM 262 CB LYS A 21 -18.107 -11.939 14.576 1.00 0.00 C ATOM 263 CG LYS A 21 -17.333 -13.225 14.805 1.00 0.00 C ATOM 264 CD LYS A 21 -17.565 -14.226 13.684 1.00 0.00 C ATOM 265 CE LYS A 21 -16.409 -14.238 12.696 1.00 0.00 C ATOM 266 NZ LYS A 21 -16.078 -15.617 12.245 1.00 0.00 N ATOM 0 H LYS A 21 -19.217 -9.959 15.564 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.554 -10.951 15.683 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -19.038 -11.980 15.142 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -18.377 -11.871 13.522 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.269 -13.001 14.879 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.633 -13.666 15.755 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.694 -15.223 14.106 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -18.489 -13.980 13.161 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.664 -13.625 11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.531 -13.787 13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.285 -15.582 11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.810 -16.196 13.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.907 -16.039 11.780 1.00 0.00 H new ATOM 280 N ARG A 22 -15.961 -10.876 12.987 1.00 0.00 N ATOM 281 CA ARG A 22 -15.285 -10.408 11.784 1.00 0.00 C ATOM 282 C ARG A 22 -14.264 -9.326 12.118 1.00 0.00 C ATOM 283 O ARG A 22 -14.226 -8.818 13.238 1.00 0.00 O ATOM 284 CB ARG A 22 -16.304 -9.868 10.778 1.00 0.00 C ATOM 285 CG ARG A 22 -16.836 -10.924 9.822 1.00 0.00 C ATOM 286 CD ARG A 22 -17.840 -10.336 8.845 1.00 0.00 C ATOM 287 NE ARG A 22 -18.866 -11.304 8.461 1.00 0.00 N ATOM 288 CZ ARG A 22 -19.673 -11.152 7.414 1.00 0.00 C ATOM 289 NH1 ARG A 22 -19.578 -10.075 6.644 1.00 0.00 N ATOM 290 NH2 ARG A 22 -20.579 -12.080 7.136 1.00 0.00 N ATOM 0 H ARG A 22 -15.829 -11.868 13.186 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.760 -11.254 11.342 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.140 -9.428 11.321 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -15.842 -9.067 10.201 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.007 -11.368 9.270 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.307 -11.726 10.390 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -18.315 -9.464 9.295 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.317 -9.990 7.953 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.969 -12.145 9.029 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.883 -9.358 6.853 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.200 -9.964 5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -20.657 -12.909 7.725 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -21.198 -11.964 6.334 1.00 0.00 H new ATOM 304 N TYR A 23 -13.438 -8.979 11.137 1.00 0.00 N ATOM 305 CA TYR A 23 -12.414 -7.957 11.324 1.00 0.00 C ATOM 306 C TYR A 23 -12.236 -7.129 10.055 1.00 0.00 C ATOM 307 O TYR A 23 -11.752 -7.627 9.039 1.00 0.00 O ATOM 308 CB TYR A 23 -11.084 -8.605 11.713 1.00 0.00 C ATOM 309 CG TYR A 23 -10.718 -9.800 10.861 1.00 0.00 C ATOM 310 CD1 TYR A 23 -11.426 -10.990 10.962 1.00 0.00 C ATOM 311 CD2 TYR A 23 -9.667 -9.736 9.958 1.00 0.00 C ATOM 312 CE1 TYR A 23 -11.097 -12.084 10.187 1.00 0.00 C ATOM 313 CE2 TYR A 23 -9.331 -10.827 9.177 1.00 0.00 C ATOM 314 CZ TYR A 23 -10.049 -11.997 9.295 1.00 0.00 C ATOM 315 OH TYR A 23 -9.718 -13.086 8.521 1.00 0.00 O ATOM 0 H TYR A 23 -13.457 -9.390 10.204 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.737 -7.295 12.127 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.292 -7.860 11.638 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.133 -8.915 12.757 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -12.248 -11.061 11.659 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.102 -8.820 9.863 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.657 -13.003 10.279 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.510 -10.762 8.478 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.958 -12.859 7.945 1.00 0.00 H new ATOM 325 N LYS A 24 -12.632 -5.862 10.121 1.00 0.00 N ATOM 326 CA LYS A 24 -12.516 -4.966 8.975 1.00 0.00 C ATOM 327 C LYS A 24 -11.127 -4.338 8.915 1.00 0.00 C ATOM 328 O LYS A 24 -10.235 -4.862 8.250 1.00 0.00 O ATOM 329 CB LYS A 24 -13.594 -3.880 9.037 1.00 0.00 C ATOM 330 CG LYS A 24 -14.831 -4.203 8.217 1.00 0.00 C ATOM 331 CD LYS A 24 -15.893 -3.125 8.364 1.00 0.00 C ATOM 332 CE LYS A 24 -15.887 -2.168 7.180 1.00 0.00 C ATOM 333 NZ LYS A 24 -15.259 -0.863 7.524 1.00 0.00 N ATOM 0 H LYS A 24 -13.035 -5.433 10.954 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.663 -5.551 8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.886 -3.729 10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.171 -2.939 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.557 -4.304 7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.239 -5.163 8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.875 -3.590 8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.721 -2.567 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.348 -2.622 6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.910 -2.001 6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.275 -0.240 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.788 -0.417 8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.275 -1.019 7.821 1.00 0.00 H new ATOM 347 N PHE A 25 -10.945 -3.216 9.612 1.00 0.00 N ATOM 348 CA PHE A 25 -9.664 -2.532 9.628 1.00 0.00 C ATOM 349 C PHE A 25 -9.266 -2.100 8.219 1.00 0.00 C ATOM 350 O PHE A 25 -9.465 -2.844 7.261 1.00 0.00 O ATOM 351 CB PHE A 25 -8.598 -3.448 10.220 1.00 0.00 C ATOM 352 CG PHE A 25 -8.465 -3.331 11.712 1.00 0.00 C ATOM 353 CD1 PHE A 25 -9.573 -3.476 12.532 1.00 0.00 C ATOM 354 CD2 PHE A 25 -7.233 -3.076 12.296 1.00 0.00 C ATOM 355 CE1 PHE A 25 -9.456 -3.370 13.906 1.00 0.00 C ATOM 356 CE2 PHE A 25 -7.111 -2.969 13.669 1.00 0.00 C ATOM 357 CZ PHE A 25 -8.223 -3.116 14.474 1.00 0.00 C ATOM 0 H PHE A 25 -11.671 -2.767 10.170 1.00 0.00 H new ATOM 0 HA PHE A 25 -9.752 -1.639 10.246 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.836 -4.481 9.965 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.637 -3.219 9.759 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.539 -3.674 12.093 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.360 -2.960 11.671 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.327 -3.486 14.534 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.146 -2.770 14.112 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.129 -3.032 15.547 1.00 0.00 H new ATOM 367 N SER A 26 -8.700 -0.901 8.089 1.00 0.00 N ATOM 368 CA SER A 26 -8.276 -0.408 6.787 1.00 0.00 C ATOM 369 C SER A 26 -7.098 -1.235 6.290 1.00 0.00 C ATOM 370 O SER A 26 -5.967 -0.753 6.223 1.00 0.00 O ATOM 371 CB SER A 26 -7.891 1.070 6.872 1.00 0.00 C ATOM 372 OG SER A 26 -7.385 1.395 8.155 1.00 0.00 O ATOM 0 H SER A 26 -8.527 -0.261 8.864 1.00 0.00 H new ATOM 0 HA SER A 26 -9.103 -0.503 6.084 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.141 1.297 6.114 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.762 1.688 6.654 1.00 0.00 H new ATOM 0 HG SER A 26 -7.145 2.345 8.181 1.00 0.00 H new ATOM 378 N ALA A 27 -7.375 -2.498 5.971 1.00 0.00 N ATOM 379 CA ALA A 27 -6.353 -3.425 5.506 1.00 0.00 C ATOM 380 C ALA A 27 -5.536 -3.973 6.679 1.00 0.00 C ATOM 381 O ALA A 27 -4.648 -4.804 6.488 1.00 0.00 O ATOM 382 CB ALA A 27 -5.449 -2.757 4.484 1.00 0.00 C ATOM 0 H ALA A 27 -8.309 -2.903 6.028 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.852 -4.265 5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.692 -3.466 4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.043 -2.431 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.962 -1.894 4.938 1.00 0.00 H new ATOM 388 N SER A 28 -5.844 -3.505 7.896 1.00 0.00 N ATOM 389 CA SER A 28 -5.147 -3.949 9.104 1.00 0.00 C ATOM 390 C SER A 28 -3.796 -3.258 9.262 1.00 0.00 C ATOM 391 O SER A 28 -3.331 -3.046 10.381 1.00 0.00 O ATOM 392 CB SER A 28 -4.960 -5.468 9.101 1.00 0.00 C ATOM 393 OG SER A 28 -4.891 -5.976 10.423 1.00 0.00 O ATOM 0 H SER A 28 -6.576 -2.815 8.067 1.00 0.00 H new ATOM 0 HA SER A 28 -5.771 -3.672 9.954 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.788 -5.938 8.570 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.048 -5.724 8.561 1.00 0.00 H new ATOM 0 HG SER A 28 -4.773 -6.948 10.394 1.00 0.00 H new ATOM 399 N GLU A 29 -3.176 -2.899 8.148 1.00 0.00 N ATOM 400 CA GLU A 29 -1.890 -2.219 8.192 1.00 0.00 C ATOM 401 C GLU A 29 -2.106 -0.731 8.413 1.00 0.00 C ATOM 402 O GLU A 29 -1.427 -0.105 9.229 1.00 0.00 O ATOM 403 CB GLU A 29 -1.100 -2.462 6.902 1.00 0.00 C ATOM 404 CG GLU A 29 -1.795 -1.958 5.648 1.00 0.00 C ATOM 405 CD GLU A 29 -1.350 -0.563 5.256 1.00 0.00 C ATOM 406 OE1 GLU A 29 -0.163 -0.396 4.903 1.00 0.00 O ATOM 407 OE2 GLU A 29 -2.188 0.362 5.303 1.00 0.00 O ATOM 0 H GLU A 29 -3.539 -3.065 7.209 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.308 -2.622 9.021 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.128 -1.976 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.914 -3.531 6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.594 -2.644 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.873 -1.960 5.809 1.00 0.00 H new ATOM 414 N ASP A 30 -3.076 -0.176 7.695 1.00 0.00 N ATOM 415 CA ASP A 30 -3.406 1.234 7.816 1.00 0.00 C ATOM 416 C ASP A 30 -3.925 1.537 9.218 1.00 0.00 C ATOM 417 O ASP A 30 -3.742 2.639 9.732 1.00 0.00 O ATOM 418 CB ASP A 30 -4.455 1.625 6.774 1.00 0.00 C ATOM 419 CG ASP A 30 -4.545 3.126 6.579 1.00 0.00 C ATOM 420 OD1 ASP A 30 -3.484 3.784 6.539 1.00 0.00 O ATOM 421 OD2 ASP A 30 -5.676 3.643 6.466 1.00 0.00 O ATOM 0 H ASP A 30 -3.648 -0.686 7.021 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.502 1.818 7.641 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.212 1.152 5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.428 1.242 7.081 1.00 0.00 H new ATOM 426 N GLU A 31 -4.568 0.548 9.836 1.00 0.00 N ATOM 427 CA GLU A 31 -5.103 0.717 11.180 1.00 0.00 C ATOM 428 C GLU A 31 -3.972 0.793 12.200 1.00 0.00 C ATOM 429 O GLU A 31 -4.103 1.443 13.238 1.00 0.00 O ATOM 430 CB GLU A 31 -6.051 -0.433 11.526 1.00 0.00 C ATOM 431 CG GLU A 31 -7.518 -0.039 11.490 1.00 0.00 C ATOM 432 CD GLU A 31 -7.998 0.540 12.807 1.00 0.00 C ATOM 433 OE1 GLU A 31 -7.721 -0.072 13.860 1.00 0.00 O ATOM 434 OE2 GLU A 31 -8.648 1.606 12.785 1.00 0.00 O ATOM 0 H GLU A 31 -4.729 -0.373 9.428 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.662 1.652 11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.886 -1.253 10.827 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.808 -0.808 12.520 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.675 0.692 10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.119 -0.913 11.241 1.00 0.00 H new ATOM 441 N ALA A 32 -2.864 0.130 11.897 1.00 0.00 N ATOM 442 CA ALA A 32 -1.717 0.134 12.789 1.00 0.00 C ATOM 443 C ALA A 32 -0.969 1.455 12.700 1.00 0.00 C ATOM 444 O ALA A 32 -0.482 1.970 13.706 1.00 0.00 O ATOM 445 CB ALA A 32 -0.791 -1.030 12.476 1.00 0.00 C ATOM 0 H ALA A 32 -2.737 -0.415 11.044 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.079 0.018 13.810 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.062 -1.009 13.155 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.331 -1.968 12.601 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.438 -0.948 11.448 1.00 0.00 H new ATOM 451 N ILE A 33 -0.882 2.008 11.495 1.00 0.00 N ATOM 452 CA ILE A 33 -0.194 3.278 11.305 1.00 0.00 C ATOM 453 C ILE A 33 -1.009 4.425 11.880 1.00 0.00 C ATOM 454 O ILE A 33 -0.459 5.339 12.490 1.00 0.00 O ATOM 455 CB ILE A 33 0.114 3.582 9.825 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.470 2.302 9.065 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.246 4.596 9.737 1.00 0.00 C ATOM 458 CD1 ILE A 33 1.041 2.549 7.682 1.00 0.00 C ATOM 0 H ILE A 33 -1.274 1.602 10.645 1.00 0.00 H new ATOM 0 HA ILE A 33 0.754 3.184 11.834 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.777 4.004 9.360 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.193 1.733 9.650 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.424 1.684 8.974 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.462 4.810 8.690 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.951 5.516 10.242 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.137 4.189 10.216 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.268 1.595 7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.312 3.091 7.079 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.953 3.139 7.765 1.00 0.00 H new ATOM 470 N ILE A 34 -2.325 4.374 11.691 1.00 0.00 N ATOM 471 CA ILE A 34 -3.195 5.421 12.209 1.00 0.00 C ATOM 472 C ILE A 34 -3.206 5.401 13.731 1.00 0.00 C ATOM 473 O ILE A 34 -3.195 6.450 14.375 1.00 0.00 O ATOM 474 CB ILE A 34 -4.639 5.292 11.683 1.00 0.00 C ATOM 475 CG1 ILE A 34 -5.227 3.932 12.055 1.00 0.00 C ATOM 476 CG2 ILE A 34 -4.676 5.499 10.174 1.00 0.00 C ATOM 477 CD1 ILE A 34 -5.883 3.907 13.418 1.00 0.00 C ATOM 0 H ILE A 34 -2.806 3.628 11.189 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.792 6.370 11.856 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.247 6.066 12.151 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.961 3.645 11.302 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.435 3.184 12.029 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.702 5.405 9.819 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.299 6.493 9.934 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.053 4.748 9.688 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.277 2.910 13.614 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.147 4.162 14.181 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.698 4.631 13.443 1.00 0.00 H new ATOM 489 N LYS A 35 -3.203 4.201 14.303 1.00 0.00 N ATOM 490 CA LYS A 35 -3.190 4.055 15.752 1.00 0.00 C ATOM 491 C LYS A 35 -1.810 4.401 16.292 1.00 0.00 C ATOM 492 O LYS A 35 -1.676 5.041 17.337 1.00 0.00 O ATOM 493 CB LYS A 35 -3.569 2.626 16.149 1.00 0.00 C ATOM 494 CG LYS A 35 -4.350 2.544 17.451 1.00 0.00 C ATOM 495 CD LYS A 35 -4.494 1.106 17.923 1.00 0.00 C ATOM 496 CE LYS A 35 -5.594 0.969 18.963 1.00 0.00 C ATOM 497 NZ LYS A 35 -5.602 -0.383 19.588 1.00 0.00 N ATOM 0 H LYS A 35 -3.209 3.321 13.788 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.923 4.738 16.181 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.162 2.181 15.350 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.661 2.030 16.241 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.844 3.131 18.218 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.338 2.984 17.313 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.715 0.463 17.071 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.549 0.764 18.344 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.459 1.726 19.736 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.561 1.159 18.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.366 -0.436 20.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.756 -1.104 18.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.689 -0.555 20.055 1.00 0.00 H new ATOM 511 N GLY A 36 -0.785 3.978 15.563 1.00 0.00 N ATOM 512 CA GLY A 36 0.579 4.251 15.964 1.00 0.00 C ATOM 513 C GLY A 36 0.912 5.727 15.905 1.00 0.00 C ATOM 514 O GLY A 36 1.531 6.267 16.821 1.00 0.00 O ATOM 0 H GLY A 36 -0.877 3.448 14.696 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.737 3.886 16.979 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.262 3.701 15.317 1.00 0.00 H new ATOM 518 N LEU A 37 0.499 6.383 14.825 1.00 0.00 N ATOM 519 CA LEU A 37 0.757 7.808 14.656 1.00 0.00 C ATOM 520 C LEU A 37 -0.068 8.623 15.647 1.00 0.00 C ATOM 521 O LEU A 37 0.358 9.686 16.098 1.00 0.00 O ATOM 522 CB LEU A 37 0.436 8.245 13.223 1.00 0.00 C ATOM 523 CG LEU A 37 1.660 8.498 12.336 1.00 0.00 C ATOM 524 CD1 LEU A 37 1.699 7.511 11.179 1.00 0.00 C ATOM 525 CD2 LEU A 37 1.658 9.928 11.817 1.00 0.00 C ATOM 0 H LEU A 37 -0.014 5.952 14.056 1.00 0.00 H new ATOM 0 HA LEU A 37 1.814 7.988 14.850 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.182 7.479 12.755 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.161 9.156 13.262 1.00 0.00 H new ATOM 0 HG LEU A 37 2.555 8.352 12.941 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.576 7.708 10.562 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.751 6.495 11.569 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.798 7.622 10.576 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.535 10.088 11.189 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.755 10.101 11.231 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.683 10.620 12.658 1.00 0.00 H new ATOM 537 N ALA A 38 -1.248 8.115 15.981 1.00 0.00 N ATOM 538 CA ALA A 38 -2.132 8.794 16.919 1.00 0.00 C ATOM 539 C ALA A 38 -1.529 8.825 18.321 1.00 0.00 C ATOM 540 O ALA A 38 -1.841 9.709 19.120 1.00 0.00 O ATOM 541 CB ALA A 38 -3.496 8.120 16.944 1.00 0.00 C ATOM 0 H ALA A 38 -1.614 7.236 15.616 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.254 9.823 16.582 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.145 8.639 17.649 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.939 8.157 15.949 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.383 7.081 17.252 1.00 0.00 H new ATOM 547 N ARG A 39 -0.669 7.853 18.617 1.00 0.00 N ATOM 548 CA ARG A 39 -0.034 7.775 19.929 1.00 0.00 C ATOM 549 C ARG A 39 1.440 8.160 19.862 1.00 0.00 C ATOM 550 O ARG A 39 1.995 8.686 20.826 1.00 0.00 O ATOM 551 CB ARG A 39 -0.178 6.364 20.502 1.00 0.00 C ATOM 552 CG ARG A 39 -1.617 5.967 20.793 1.00 0.00 C ATOM 553 CD ARG A 39 -1.926 6.025 22.281 1.00 0.00 C ATOM 554 NE ARG A 39 -1.548 7.309 22.869 1.00 0.00 N ATOM 555 CZ ARG A 39 -2.088 7.806 23.980 1.00 0.00 C ATOM 556 NH1 ARG A 39 -3.024 7.130 24.633 1.00 0.00 N ATOM 557 NH2 ARG A 39 -1.687 8.983 24.440 1.00 0.00 N ATOM 0 H ARG A 39 -0.397 7.113 17.970 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.538 8.486 20.584 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.252 5.650 19.799 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.402 6.294 21.422 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.294 6.631 20.255 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.798 4.958 20.423 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.991 5.854 22.437 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.396 5.222 22.793 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.827 7.857 22.400 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.335 6.223 24.285 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.433 7.517 25.483 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.966 9.506 23.943 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.099 9.365 25.291 1.00 0.00 H new ATOM 571 N PHE A 40 2.068 7.894 18.725 1.00 0.00 N ATOM 572 CA PHE A 40 3.480 8.213 18.544 1.00 0.00 C ATOM 573 C PHE A 40 3.655 9.355 17.550 1.00 0.00 C ATOM 574 O PHE A 40 3.057 9.349 16.473 1.00 0.00 O ATOM 575 CB PHE A 40 4.241 6.981 18.058 1.00 0.00 C ATOM 576 CG PHE A 40 4.461 5.948 19.127 1.00 0.00 C ATOM 577 CD1 PHE A 40 5.523 6.062 20.011 1.00 0.00 C ATOM 578 CD2 PHE A 40 3.609 4.863 19.246 1.00 0.00 C ATOM 579 CE1 PHE A 40 5.727 5.112 20.993 1.00 0.00 C ATOM 580 CE2 PHE A 40 3.809 3.910 20.226 1.00 0.00 C ATOM 581 CZ PHE A 40 4.870 4.035 21.102 1.00 0.00 C ATOM 0 H PHE A 40 1.625 7.459 17.916 1.00 0.00 H new ATOM 0 HA PHE A 40 3.884 8.527 19.507 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.691 6.527 17.234 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.207 7.294 17.663 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.197 6.902 19.931 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.778 4.760 18.564 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.558 5.212 21.676 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.137 3.069 20.307 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.029 3.292 21.870 1.00 0.00 H new ATOM 591 N THR A 41 4.480 10.332 17.913 1.00 0.00 N ATOM 592 CA THR A 41 4.731 11.476 17.045 1.00 0.00 C ATOM 593 C THR A 41 5.902 12.314 17.549 1.00 0.00 C ATOM 594 O THR A 41 6.713 12.797 16.760 1.00 0.00 O ATOM 595 CB THR A 41 3.478 12.340 16.928 1.00 0.00 C ATOM 596 OG1 THR A 41 2.694 12.250 18.104 1.00 0.00 O ATOM 597 CG2 THR A 41 2.600 11.954 15.758 1.00 0.00 C ATOM 0 H THR A 41 4.984 10.354 18.799 1.00 0.00 H new ATOM 0 HA THR A 41 4.993 11.092 16.059 1.00 0.00 H new ATOM 0 HB THR A 41 3.838 13.357 16.774 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.897 12.812 18.009 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.726 12.605 15.729 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.162 12.060 14.830 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.278 10.919 15.871 1.00 0.00 H new ATOM 605 N LYS A 42 5.986 12.483 18.865 1.00 0.00 N ATOM 606 CA LYS A 42 7.064 13.264 19.463 1.00 0.00 C ATOM 607 C LYS A 42 8.400 12.539 19.322 1.00 0.00 C ATOM 608 O LYS A 42 8.994 12.106 20.310 1.00 0.00 O ATOM 609 CB LYS A 42 6.766 13.539 20.940 1.00 0.00 C ATOM 610 CG LYS A 42 6.162 14.911 21.191 1.00 0.00 C ATOM 611 CD LYS A 42 4.705 14.969 20.757 1.00 0.00 C ATOM 612 CE LYS A 42 4.488 16.005 19.666 1.00 0.00 C ATOM 613 NZ LYS A 42 4.906 17.366 20.102 1.00 0.00 N ATOM 0 H LYS A 42 5.324 12.092 19.535 1.00 0.00 H new ATOM 0 HA LYS A 42 7.130 14.215 18.934 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.083 12.776 21.313 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.689 13.447 21.512 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.236 15.154 22.251 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.734 15.665 20.650 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.393 13.989 20.396 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.078 15.207 21.616 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.051 15.720 18.777 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.435 16.021 19.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.360 18.081 19.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.730 17.473 21.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.920 17.496 19.910 1.00 0.00 H new ATOM 627 N GLY A 43 8.865 12.407 18.083 1.00 0.00 N ATOM 628 CA GLY A 43 10.125 11.735 17.828 1.00 0.00 C ATOM 629 C GLY A 43 10.663 12.014 16.442 1.00 0.00 C ATOM 630 O GLY A 43 9.929 12.469 15.564 1.00 0.00 O ATOM 0 H GLY A 43 8.390 12.755 17.250 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.858 12.053 18.569 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.991 10.660 17.952 1.00 0.00 H new ATOM 634 N GLN A 44 11.945 11.736 16.243 1.00 0.00 N ATOM 635 CA GLN A 44 12.579 11.951 14.950 1.00 0.00 C ATOM 636 C GLN A 44 11.953 11.046 13.897 1.00 0.00 C ATOM 637 O GLN A 44 12.485 9.980 13.587 1.00 0.00 O ATOM 638 CB GLN A 44 14.083 11.684 15.043 1.00 0.00 C ATOM 639 CG GLN A 44 14.900 12.439 14.008 1.00 0.00 C ATOM 640 CD GLN A 44 14.826 13.943 14.191 1.00 0.00 C ATOM 641 OE1 GLN A 44 15.457 14.501 15.088 1.00 0.00 O ATOM 642 NE2 GLN A 44 14.052 14.605 13.339 1.00 0.00 N ATOM 0 H GLN A 44 12.566 11.361 16.961 1.00 0.00 H new ATOM 0 HA GLN A 44 12.424 12.990 14.658 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.431 11.958 16.039 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.262 10.615 14.926 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.941 12.120 14.069 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.545 12.180 13.011 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.547 14.100 12.611 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.962 15.618 13.413 1.00 0.00 H new ATOM 651 N GLN A 45 10.814 11.478 13.360 1.00 0.00 N ATOM 652 CA GLN A 45 10.096 10.711 12.341 1.00 0.00 C ATOM 653 C GLN A 45 9.266 9.602 12.979 1.00 0.00 C ATOM 654 O GLN A 45 9.806 8.592 13.432 1.00 0.00 O ATOM 655 CB GLN A 45 11.073 10.109 11.330 1.00 0.00 C ATOM 656 CG GLN A 45 10.496 9.971 9.930 1.00 0.00 C ATOM 657 CD GLN A 45 11.143 10.915 8.935 1.00 0.00 C ATOM 658 OE1 GLN A 45 11.897 10.491 8.059 1.00 0.00 O ATOM 659 NE2 GLN A 45 10.853 12.204 9.066 1.00 0.00 N ATOM 0 H GLN A 45 10.366 12.358 13.614 1.00 0.00 H new ATOM 0 HA GLN A 45 9.425 11.395 11.821 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.966 10.732 11.286 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.387 9.127 11.682 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.625 8.944 9.588 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.424 10.163 9.963 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.223 12.512 9.806 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.260 12.886 8.426 1.00 0.00 H new ATOM 668 N ARG A 46 7.952 9.798 13.017 1.00 0.00 N ATOM 669 CA ARG A 46 7.050 8.815 13.602 1.00 0.00 C ATOM 670 C ARG A 46 6.570 7.812 12.558 1.00 0.00 C ATOM 671 O ARG A 46 6.187 6.692 12.893 1.00 0.00 O ATOM 672 CB ARG A 46 5.853 9.519 14.240 1.00 0.00 C ATOM 673 CG ARG A 46 5.054 10.371 13.265 1.00 0.00 C ATOM 674 CD ARG A 46 5.328 11.854 13.461 1.00 0.00 C ATOM 675 NE ARG A 46 4.592 12.680 12.507 1.00 0.00 N ATOM 676 CZ ARG A 46 4.477 14.002 12.604 1.00 0.00 C ATOM 677 NH1 ARG A 46 5.052 14.653 13.609 1.00 0.00 N ATOM 678 NH2 ARG A 46 3.787 14.677 11.694 1.00 0.00 N ATOM 0 H ARG A 46 7.489 10.629 12.649 1.00 0.00 H new ATOM 0 HA ARG A 46 7.599 8.267 14.368 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.194 8.770 14.679 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.206 10.150 15.055 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.304 10.086 12.243 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.990 10.176 13.399 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.054 12.142 14.476 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.396 12.042 13.354 1.00 0.00 H new ATOM 0 HE ARG A 46 4.139 12.216 11.720 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.585 14.139 14.311 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.961 15.667 13.679 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.344 14.183 10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.699 15.690 11.769 1.00 0.00 H new ATOM 692 N PHE A 47 6.586 8.219 11.292 1.00 0.00 N ATOM 693 CA PHE A 47 6.144 7.351 10.205 1.00 0.00 C ATOM 694 C PHE A 47 7.072 6.150 10.046 1.00 0.00 C ATOM 695 O PHE A 47 6.614 5.011 9.947 1.00 0.00 O ATOM 696 CB PHE A 47 6.079 8.131 8.888 1.00 0.00 C ATOM 697 CG PHE A 47 5.565 9.536 9.037 1.00 0.00 C ATOM 698 CD1 PHE A 47 4.210 9.779 9.206 1.00 0.00 C ATOM 699 CD2 PHE A 47 6.438 10.611 9.007 1.00 0.00 C ATOM 700 CE1 PHE A 47 3.737 11.071 9.342 1.00 0.00 C ATOM 701 CE2 PHE A 47 5.970 11.905 9.143 1.00 0.00 C ATOM 702 CZ PHE A 47 4.618 12.135 9.311 1.00 0.00 C ATOM 0 H PHE A 47 6.900 9.143 10.994 1.00 0.00 H new ATOM 0 HA PHE A 47 5.148 6.988 10.456 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.075 8.164 8.447 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.439 7.592 8.189 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.517 8.951 9.232 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.496 10.437 8.876 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.680 11.248 9.472 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.661 12.735 9.118 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.250 13.145 9.418 1.00 0.00 H new ATOM 712 N GLN A 48 8.373 6.409 10.015 1.00 0.00 N ATOM 713 CA GLN A 48 9.358 5.344 9.864 1.00 0.00 C ATOM 714 C GLN A 48 9.431 4.481 11.122 1.00 0.00 C ATOM 715 O GLN A 48 9.408 3.254 11.045 1.00 0.00 O ATOM 716 CB GLN A 48 10.735 5.936 9.558 1.00 0.00 C ATOM 717 CG GLN A 48 11.753 4.904 9.094 1.00 0.00 C ATOM 718 CD GLN A 48 13.167 5.250 9.516 1.00 0.00 C ATOM 719 OE1 GLN A 48 13.668 6.336 9.223 1.00 0.00 O ATOM 720 NE2 GLN A 48 13.822 4.324 10.207 1.00 0.00 N ATOM 0 H GLN A 48 8.771 7.345 10.092 1.00 0.00 H new ATOM 0 HA GLN A 48 9.046 4.712 9.032 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.629 6.701 8.789 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.114 6.432 10.451 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.486 3.928 9.499 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.712 4.821 8.008 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.369 3.437 10.428 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.778 4.500 10.516 1.00 0.00 H new ATOM 729 N GLN A 49 9.523 5.133 12.277 1.00 0.00 N ATOM 730 CA GLN A 49 9.605 4.424 13.549 1.00 0.00 C ATOM 731 C GLN A 49 8.370 3.559 13.781 1.00 0.00 C ATOM 732 O GLN A 49 8.480 2.375 14.101 1.00 0.00 O ATOM 733 CB GLN A 49 9.768 5.418 14.702 1.00 0.00 C ATOM 734 CG GLN A 49 10.531 4.850 15.888 1.00 0.00 C ATOM 735 CD GLN A 49 9.614 4.425 17.019 1.00 0.00 C ATOM 736 OE1 GLN A 49 8.675 5.138 17.373 1.00 0.00 O ATOM 737 NE2 GLN A 49 9.883 3.258 17.593 1.00 0.00 N ATOM 0 H GLN A 49 9.543 6.150 12.358 1.00 0.00 H new ATOM 0 HA GLN A 49 10.477 3.771 13.511 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.287 6.304 14.337 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.782 5.741 15.035 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.120 3.993 15.560 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.234 5.598 16.256 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.672 2.699 17.267 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.301 2.920 18.359 1.00 0.00 H new ATOM 746 N ILE A 50 7.191 4.158 13.620 1.00 0.00 N ATOM 747 CA ILE A 50 5.942 3.434 13.816 1.00 0.00 C ATOM 748 C ILE A 50 5.840 2.247 12.864 1.00 0.00 C ATOM 749 O ILE A 50 5.394 1.166 13.246 1.00 0.00 O ATOM 750 CB ILE A 50 4.718 4.360 13.630 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.479 3.746 14.284 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.463 4.642 12.155 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.975 2.497 13.593 1.00 0.00 C ATOM 0 H ILE A 50 7.077 5.137 13.356 1.00 0.00 H new ATOM 0 HA ILE A 50 5.944 3.064 14.841 1.00 0.00 H new ATOM 0 HB ILE A 50 4.934 5.309 14.120 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.709 3.507 15.322 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.681 4.489 14.297 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.597 5.296 12.054 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.337 5.128 11.721 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.273 3.704 11.633 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.095 2.122 14.116 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.711 2.733 12.562 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.755 1.736 13.603 1.00 0.00 H new ATOM 765 N TYR A 51 6.267 2.458 11.624 1.00 0.00 N ATOM 766 CA TYR A 51 6.231 1.407 10.615 1.00 0.00 C ATOM 767 C TYR A 51 7.076 0.214 11.046 1.00 0.00 C ATOM 768 O TYR A 51 6.713 -0.938 10.809 1.00 0.00 O ATOM 769 CB TYR A 51 6.727 1.946 9.269 1.00 0.00 C ATOM 770 CG TYR A 51 6.865 0.886 8.198 1.00 0.00 C ATOM 771 CD1 TYR A 51 5.769 0.136 7.792 1.00 0.00 C ATOM 772 CD2 TYR A 51 8.092 0.634 7.596 1.00 0.00 C ATOM 773 CE1 TYR A 51 5.891 -0.836 6.817 1.00 0.00 C ATOM 774 CE2 TYR A 51 8.222 -0.336 6.620 1.00 0.00 C ATOM 775 CZ TYR A 51 7.119 -1.067 6.233 1.00 0.00 C ATOM 776 OH TYR A 51 7.242 -2.034 5.264 1.00 0.00 O ATOM 0 H TYR A 51 6.642 3.347 11.294 1.00 0.00 H new ATOM 0 HA TYR A 51 5.199 1.075 10.504 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.037 2.714 8.920 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.693 2.429 9.416 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.805 0.315 8.246 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.958 1.205 7.896 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.029 -1.412 6.514 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.183 -0.520 6.163 1.00 0.00 H new ATOM 0 HH TYR A 51 7.326 -2.913 5.688 1.00 0.00 H new ATOM 786 N TYR A 52 8.210 0.501 11.674 1.00 0.00 N ATOM 787 CA TYR A 52 9.117 -0.544 12.136 1.00 0.00 C ATOM 788 C TYR A 52 8.512 -1.347 13.281 1.00 0.00 C ATOM 789 O TYR A 52 8.683 -2.564 13.351 1.00 0.00 O ATOM 790 CB TYR A 52 10.453 0.064 12.573 1.00 0.00 C ATOM 791 CG TYR A 52 11.530 -0.021 11.516 1.00 0.00 C ATOM 792 CD1 TYR A 52 12.199 -1.216 11.274 1.00 0.00 C ATOM 793 CD2 TYR A 52 11.880 1.090 10.761 1.00 0.00 C ATOM 794 CE1 TYR A 52 13.184 -1.299 10.310 1.00 0.00 C ATOM 795 CE2 TYR A 52 12.866 1.016 9.795 1.00 0.00 C ATOM 796 CZ TYR A 52 13.514 -0.181 9.574 1.00 0.00 C ATOM 797 OH TYR A 52 14.496 -0.259 8.612 1.00 0.00 O ATOM 0 H TYR A 52 8.524 1.450 11.876 1.00 0.00 H new ATOM 0 HA TYR A 52 9.287 -1.224 11.301 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.297 1.110 12.838 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.798 -0.445 13.473 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.944 -2.094 11.850 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.373 2.028 10.931 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.693 -2.235 10.133 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.127 1.890 9.217 1.00 0.00 H new ATOM 0 HH TYR A 52 14.605 0.616 8.184 1.00 0.00 H new ATOM 807 N ALA A 53 7.816 -0.668 14.182 1.00 0.00 N ATOM 808 CA ALA A 53 7.205 -1.343 15.320 1.00 0.00 C ATOM 809 C ALA A 53 6.092 -2.281 14.868 1.00 0.00 C ATOM 810 O ALA A 53 6.089 -3.466 15.204 1.00 0.00 O ATOM 811 CB ALA A 53 6.669 -0.324 16.314 1.00 0.00 C ATOM 0 H ALA A 53 7.661 0.340 14.149 1.00 0.00 H new ATOM 0 HA ALA A 53 7.972 -1.942 15.810 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.216 -0.843 17.158 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.487 0.302 16.670 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.920 0.300 15.827 1.00 0.00 H new ATOM 817 N TYR A 54 5.156 -1.745 14.097 1.00 0.00 N ATOM 818 CA TYR A 54 4.041 -2.535 13.586 1.00 0.00 C ATOM 819 C TYR A 54 4.451 -3.371 12.367 1.00 0.00 C ATOM 820 O TYR A 54 3.611 -4.027 11.751 1.00 0.00 O ATOM 821 CB TYR A 54 2.843 -1.622 13.266 1.00 0.00 C ATOM 822 CG TYR A 54 2.646 -1.315 11.797 1.00 0.00 C ATOM 823 CD1 TYR A 54 1.899 -2.159 10.984 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.198 -0.176 11.227 1.00 0.00 C ATOM 825 CE1 TYR A 54 1.712 -1.878 9.644 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.015 0.112 9.888 1.00 0.00 C ATOM 827 CZ TYR A 54 2.271 -0.742 9.101 1.00 0.00 C ATOM 828 OH TYR A 54 2.087 -0.459 7.768 1.00 0.00 O ATOM 0 H TYR A 54 5.145 -0.766 13.811 1.00 0.00 H new ATOM 0 HA TYR A 54 3.739 -3.237 14.363 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.936 -2.091 13.648 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.968 -0.682 13.804 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.457 -3.049 11.407 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.780 0.496 11.840 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.131 -2.546 9.025 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.453 1.002 9.460 1.00 0.00 H new ATOM 0 HH TYR A 54 1.991 -1.295 7.266 1.00 0.00 H new ATOM 838 N ARG A 55 5.738 -3.346 12.015 1.00 0.00 N ATOM 839 CA ARG A 55 6.225 -4.099 10.862 1.00 0.00 C ATOM 840 C ARG A 55 5.816 -5.569 10.942 1.00 0.00 C ATOM 841 O ARG A 55 5.728 -6.252 9.920 1.00 0.00 O ATOM 842 CB ARG A 55 7.749 -3.986 10.759 1.00 0.00 C ATOM 843 CG ARG A 55 8.498 -4.782 11.817 1.00 0.00 C ATOM 844 CD ARG A 55 8.861 -6.171 11.317 1.00 0.00 C ATOM 845 NE ARG A 55 9.922 -6.781 12.116 1.00 0.00 N ATOM 846 CZ ARG A 55 10.614 -7.853 11.736 1.00 0.00 C ATOM 847 NH1 ARG A 55 10.357 -8.438 10.573 1.00 0.00 N ATOM 848 NH2 ARG A 55 11.565 -8.342 12.521 1.00 0.00 N ATOM 0 H ARG A 55 6.456 -2.816 12.509 1.00 0.00 H new ATOM 0 HA ARG A 55 5.771 -3.669 9.969 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.063 -4.326 9.772 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.032 -2.937 10.839 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.405 -4.248 12.101 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.883 -4.866 12.713 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.977 -6.808 11.342 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.180 -6.110 10.277 1.00 0.00 H new ATOM 0 HE ARG A 55 10.145 -6.361 13.018 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.627 -8.067 9.966 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.890 -9.259 10.286 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.766 -7.897 13.416 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.095 -9.163 12.229 1.00 0.00 H new ATOM 862 N SER A 56 5.561 -6.052 12.154 1.00 0.00 N ATOM 863 CA SER A 56 5.155 -7.440 12.350 1.00 0.00 C ATOM 864 C SER A 56 3.920 -7.770 11.512 1.00 0.00 C ATOM 865 O SER A 56 3.679 -8.930 11.177 1.00 0.00 O ATOM 866 CB SER A 56 4.870 -7.707 13.828 1.00 0.00 C ATOM 867 OG SER A 56 5.298 -9.004 14.204 1.00 0.00 O ATOM 0 H SER A 56 5.628 -5.505 13.013 1.00 0.00 H new ATOM 0 HA SER A 56 5.974 -8.081 12.025 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.378 -6.962 14.440 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.802 -7.603 14.020 1.00 0.00 H new ATOM 0 HG SER A 56 5.106 -9.149 15.154 1.00 0.00 H new ATOM 873 N VAL A 57 3.144 -6.743 11.179 1.00 0.00 N ATOM 874 CA VAL A 57 1.936 -6.924 10.381 1.00 0.00 C ATOM 875 C VAL A 57 2.167 -6.505 8.933 1.00 0.00 C ATOM 876 O VAL A 57 3.070 -5.724 8.635 1.00 0.00 O ATOM 877 CB VAL A 57 0.753 -6.116 10.960 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.452 -6.158 10.028 1.00 0.00 C ATOM 879 CG2 VAL A 57 0.379 -6.637 12.334 1.00 0.00 C ATOM 0 H VAL A 57 3.330 -5.777 11.449 1.00 0.00 H new ATOM 0 HA VAL A 57 1.690 -7.985 10.413 1.00 0.00 H new ATOM 0 HB VAL A 57 1.069 -5.077 11.053 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.268 -5.581 10.462 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.180 -5.732 9.062 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.771 -7.191 9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.456 -6.057 12.728 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.090 -7.685 12.259 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.234 -6.543 13.004 1.00 0.00 H new ATOM 889 N TRP A 58 1.333 -7.028 8.042 1.00 0.00 N ATOM 890 CA TRP A 58 1.423 -6.713 6.622 1.00 0.00 C ATOM 891 C TRP A 58 2.698 -7.283 6.005 1.00 0.00 C ATOM 892 O TRP A 58 2.649 -8.232 5.223 1.00 0.00 O ATOM 893 CB TRP A 58 1.363 -5.199 6.404 1.00 0.00 C ATOM 894 CG TRP A 58 1.096 -4.813 4.981 1.00 0.00 C ATOM 895 CD1 TRP A 58 -0.037 -5.065 4.261 1.00 0.00 C ATOM 896 CD2 TRP A 58 1.980 -4.104 4.106 1.00 0.00 C ATOM 897 NE1 TRP A 58 0.088 -4.557 2.992 1.00 0.00 N ATOM 898 CE2 TRP A 58 1.319 -3.963 2.871 1.00 0.00 C ATOM 899 CE3 TRP A 58 3.266 -3.576 4.245 1.00 0.00 C ATOM 900 CZ2 TRP A 58 1.902 -3.314 1.785 1.00 0.00 C ATOM 901 CZ3 TRP A 58 3.843 -2.933 3.167 1.00 0.00 C ATOM 902 CH2 TRP A 58 3.161 -2.808 1.950 1.00 0.00 C ATOM 0 H TRP A 58 0.582 -7.676 8.280 1.00 0.00 H new ATOM 0 HA TRP A 58 0.571 -7.177 6.125 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.583 -4.779 7.039 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.307 -4.756 6.722 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.905 -5.588 4.636 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.619 -4.612 2.259 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.800 -3.669 5.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 1.378 -3.214 0.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 4.836 -2.520 3.264 1.00 0.00 H new ATOM 0 HH2 TRP A 58 3.640 -2.301 1.125 1.00 0.00 H new ATOM 913 N HIS A 59 3.839 -6.695 6.356 1.00 0.00 N ATOM 914 CA HIS A 59 5.122 -7.146 5.829 1.00 0.00 C ATOM 915 C HIS A 59 6.282 -6.552 6.628 1.00 0.00 C ATOM 916 O HIS A 59 6.075 -5.727 7.518 1.00 0.00 O ATOM 917 CB HIS A 59 5.251 -6.759 4.352 1.00 0.00 C ATOM 918 CG HIS A 59 5.162 -7.925 3.417 1.00 0.00 C ATOM 919 ND1 HIS A 59 4.933 -9.237 3.656 1.00 0.00 N flip ATOM 920 CD2 HIS A 59 5.317 -7.808 2.051 1.00 0.00 C flip ATOM 921 CE1 HIS A 59 4.952 -9.882 2.443 1.00 0.00 C flip ATOM 922 NE2 HIS A 59 5.185 -8.997 1.492 1.00 0.00 N flip ATOM 0 H HIS A 59 3.900 -5.907 7.001 1.00 0.00 H new ATOM 0 HA HIS A 59 5.164 -8.231 5.920 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.467 -6.043 4.103 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.205 -6.254 4.199 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.515 -6.888 1.522 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.801 -10.941 2.292 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.252 -9.198 0.494 1.00 0.00 H new ATOM 931 N PRO A 60 7.523 -6.968 6.317 1.00 0.00 N ATOM 932 CA PRO A 60 8.719 -6.474 7.009 1.00 0.00 C ATOM 933 C PRO A 60 8.789 -4.951 7.038 1.00 0.00 C ATOM 934 O PRO A 60 7.856 -4.269 6.617 1.00 0.00 O ATOM 935 CB PRO A 60 9.872 -7.045 6.180 1.00 0.00 C ATOM 936 CG PRO A 60 9.305 -8.261 5.534 1.00 0.00 C ATOM 937 CD PRO A 60 7.859 -7.950 5.268 1.00 0.00 C ATOM 0 HA PRO A 60 8.736 -6.778 8.056 1.00 0.00 H new ATOM 0 HB2 PRO A 60 10.219 -6.327 5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 60 10.727 -7.292 6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.831 -8.493 4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.404 -9.131 6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 60 7.714 -7.537 4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.236 -8.842 5.338 1.00 0.00 H new ATOM 945 N ALA A 61 9.901 -4.422 7.538 1.00 0.00 N ATOM 946 CA ALA A 61 10.091 -2.980 7.622 1.00 0.00 C ATOM 947 C ALA A 61 11.209 -2.513 6.695 1.00 0.00 C ATOM 948 O ALA A 61 12.092 -1.758 7.102 1.00 0.00 O ATOM 949 CB ALA A 61 10.385 -2.571 9.059 1.00 0.00 C ATOM 0 H ALA A 61 10.684 -4.972 7.891 1.00 0.00 H new ATOM 0 HA ALA A 61 9.168 -2.498 7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.525 -1.491 9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.549 -2.858 9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.291 -3.070 9.401 1.00 0.00 H new ATOM 955 N ARG A 62 11.163 -2.967 5.446 1.00 0.00 N ATOM 956 CA ARG A 62 12.173 -2.594 4.462 1.00 0.00 C ATOM 957 C ARG A 62 11.534 -1.892 3.267 1.00 0.00 C ATOM 958 O ARG A 62 11.822 -2.217 2.116 1.00 0.00 O ATOM 959 CB ARG A 62 12.941 -3.832 3.995 1.00 0.00 C ATOM 960 CG ARG A 62 12.073 -4.848 3.268 1.00 0.00 C ATOM 961 CD ARG A 62 12.808 -6.162 3.060 1.00 0.00 C ATOM 962 NE ARG A 62 12.441 -7.159 4.064 1.00 0.00 N ATOM 963 CZ ARG A 62 12.632 -8.468 3.915 1.00 0.00 C ATOM 964 NH1 ARG A 62 13.187 -8.943 2.807 1.00 0.00 N ATOM 965 NH2 ARG A 62 12.267 -9.305 4.876 1.00 0.00 N ATOM 0 H ARG A 62 10.439 -3.592 5.092 1.00 0.00 H new ATOM 0 HA ARG A 62 12.870 -1.902 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.751 -3.520 3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.401 -4.311 4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.163 -5.026 3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.769 -4.443 2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.584 -6.549 2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.883 -5.986 3.099 1.00 0.00 H new ATOM 0 HE ARG A 62 12.013 -6.832 4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.470 -8.304 2.064 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.331 -9.947 2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.840 -8.946 5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.413 -10.308 4.762 1.00 0.00 H new ATOM 979 N THR A 63 10.663 -0.929 3.550 1.00 0.00 N ATOM 980 CA THR A 63 9.982 -0.182 2.498 1.00 0.00 C ATOM 981 C THR A 63 9.321 1.073 3.056 1.00 0.00 C ATOM 982 O THR A 63 8.159 1.353 2.768 1.00 0.00 O ATOM 983 CB THR A 63 8.944 -1.070 1.803 1.00 0.00 C ATOM 984 OG1 THR A 63 8.473 -0.456 0.618 1.00 0.00 O ATOM 985 CG2 THR A 63 7.742 -1.391 2.666 1.00 0.00 C ATOM 0 H THR A 63 10.412 -0.648 4.498 1.00 0.00 H new ATOM 0 HA THR A 63 10.727 0.128 1.765 1.00 0.00 H new ATOM 0 HB THR A 63 9.467 -2.002 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.526 -1.094 -0.124 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.051 -2.023 2.107 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.068 -1.916 3.564 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.240 -0.466 2.949 1.00 0.00 H new ATOM 993 N VAL A 64 10.073 1.837 3.845 1.00 0.00 N ATOM 994 CA VAL A 64 9.552 3.070 4.421 1.00 0.00 C ATOM 995 C VAL A 64 8.937 3.938 3.327 1.00 0.00 C ATOM 996 O VAL A 64 7.971 4.666 3.563 1.00 0.00 O ATOM 997 CB VAL A 64 10.648 3.863 5.160 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.091 5.167 5.715 1.00 0.00 C ATOM 999 CG2 VAL A 64 11.249 3.019 6.273 1.00 0.00 C ATOM 0 H VAL A 64 11.038 1.625 4.098 1.00 0.00 H new ATOM 0 HA VAL A 64 8.787 2.797 5.148 1.00 0.00 H new ATOM 0 HB VAL A 64 11.435 4.109 4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.882 5.710 6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.708 5.777 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.283 4.949 6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.022 3.591 6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.469 2.744 6.983 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.688 2.116 5.848 1.00 0.00 H new ATOM 1009 N SER A 65 9.488 3.829 2.120 1.00 0.00 N ATOM 1010 CA SER A 65 8.976 4.579 0.983 1.00 0.00 C ATOM 1011 C SER A 65 7.523 4.204 0.747 1.00 0.00 C ATOM 1012 O SER A 65 6.668 5.065 0.531 1.00 0.00 O ATOM 1013 CB SER A 65 9.807 4.291 -0.269 1.00 0.00 C ATOM 1014 OG SER A 65 10.994 5.064 -0.283 1.00 0.00 O ATOM 0 H SER A 65 10.286 3.230 1.908 1.00 0.00 H new ATOM 0 HA SER A 65 9.045 5.645 1.199 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.059 3.231 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.217 4.509 -1.159 1.00 0.00 H new ATOM 0 HG SER A 65 11.508 4.860 -1.092 1.00 0.00 H new ATOM 1020 N GLN A 66 7.244 2.906 0.821 1.00 0.00 N ATOM 1021 CA GLN A 66 5.886 2.416 0.645 1.00 0.00 C ATOM 1022 C GLN A 66 4.985 3.029 1.708 1.00 0.00 C ATOM 1023 O GLN A 66 3.831 3.368 1.446 1.00 0.00 O ATOM 1024 CB GLN A 66 5.845 0.889 0.735 1.00 0.00 C ATOM 1025 CG GLN A 66 5.940 0.197 -0.615 1.00 0.00 C ATOM 1026 CD GLN A 66 5.399 -1.218 -0.583 1.00 0.00 C ATOM 1027 OE1 GLN A 66 6.027 -2.124 -0.032 1.00 0.00 O ATOM 1028 NE2 GLN A 66 4.227 -1.418 -1.173 1.00 0.00 N ATOM 0 H GLN A 66 7.938 2.180 1.001 1.00 0.00 H new ATOM 0 HA GLN A 66 5.531 2.707 -0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.665 0.549 1.367 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.919 0.587 1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.389 0.776 -1.356 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.981 0.177 -0.937 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.740 -0.640 -1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.813 -2.350 -1.182 1.00 0.00 H new ATOM 1037 N LEU A 67 5.538 3.186 2.911 1.00 0.00 N ATOM 1038 CA LEU A 67 4.807 3.779 4.023 1.00 0.00 C ATOM 1039 C LEU A 67 4.273 5.142 3.628 1.00 0.00 C ATOM 1040 O LEU A 67 3.088 5.433 3.794 1.00 0.00 O ATOM 1041 CB LEU A 67 5.713 3.906 5.248 1.00 0.00 C ATOM 1042 CG LEU A 67 4.983 3.903 6.590 1.00 0.00 C ATOM 1043 CD1 LEU A 67 3.957 5.023 6.639 1.00 0.00 C ATOM 1044 CD2 LEU A 67 4.318 2.556 6.826 1.00 0.00 C ATOM 0 H LEU A 67 6.493 2.909 3.137 1.00 0.00 H new ATOM 0 HA LEU A 67 3.969 3.129 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.430 3.085 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.286 4.830 5.164 1.00 0.00 H new ATOM 0 HG LEU A 67 5.711 4.072 7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.446 5.007 7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.459 5.982 6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.229 4.885 5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.802 2.568 7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.600 2.360 6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.076 1.772 6.832 1.00 0.00 H new ATOM 1056 N TYR A 68 5.152 5.966 3.084 1.00 0.00 N ATOM 1057 CA TYR A 68 4.768 7.293 2.640 1.00 0.00 C ATOM 1058 C TYR A 68 3.727 7.183 1.532 1.00 0.00 C ATOM 1059 O TYR A 68 2.883 8.063 1.370 1.00 0.00 O ATOM 1060 CB TYR A 68 5.991 8.064 2.140 1.00 0.00 C ATOM 1061 CG TYR A 68 6.869 8.616 3.246 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.840 8.075 4.527 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.728 9.681 3.005 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.643 8.580 5.534 1.00 0.00 C ATOM 1065 CE2 TYR A 68 8.532 10.190 4.006 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.487 9.638 5.268 1.00 0.00 C ATOM 1067 OH TYR A 68 9.288 10.142 6.267 1.00 0.00 O ATOM 0 H TYR A 68 6.136 5.739 2.940 1.00 0.00 H new ATOM 0 HA TYR A 68 4.339 7.836 3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.589 7.406 1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.655 8.889 1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.180 7.247 4.739 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.768 10.118 2.018 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.609 8.148 6.523 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.194 11.018 3.800 1.00 0.00 H new ATOM 0 HH TYR A 68 9.823 10.884 5.915 1.00 0.00 H new ATOM 1077 N ASP A 69 3.797 6.091 0.771 1.00 0.00 N ATOM 1078 CA ASP A 69 2.862 5.860 -0.324 1.00 0.00 C ATOM 1079 C ASP A 69 1.435 5.693 0.186 1.00 0.00 C ATOM 1080 O ASP A 69 0.515 6.350 -0.303 1.00 0.00 O ATOM 1081 CB ASP A 69 3.282 4.625 -1.126 1.00 0.00 C ATOM 1082 CG ASP A 69 3.279 4.879 -2.621 1.00 0.00 C ATOM 1083 OD1 ASP A 69 2.190 5.112 -3.184 1.00 0.00 O ATOM 1084 OD2 ASP A 69 4.371 4.847 -3.229 1.00 0.00 O ATOM 0 H ASP A 69 4.492 5.354 0.894 1.00 0.00 H new ATOM 0 HA ASP A 69 2.886 6.735 -0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.280 4.315 -0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.606 3.800 -0.899 1.00 0.00 H new ATOM 1089 N HIS A 70 1.250 4.831 1.180 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.084 4.624 1.744 1.00 0.00 C ATOM 1091 C HIS A 70 -0.453 5.814 2.612 1.00 0.00 C ATOM 1092 O HIS A 70 -1.618 6.197 2.709 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.184 3.329 2.567 1.00 0.00 C ATOM 1094 CG HIS A 70 1.004 2.427 2.469 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.950 2.332 3.464 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.393 1.569 1.497 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.871 1.459 3.110 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.559 0.978 1.921 1.00 0.00 N ATOM 0 H HIS A 70 1.989 4.273 1.607 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.781 4.528 0.911 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.337 3.592 3.614 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.068 2.778 2.244 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.940 2.856 4.339 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.883 1.384 0.563 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.736 1.183 3.695 1.00 0.00 H new ATOM 1107 N TRP A 71 0.562 6.406 3.229 1.00 0.00 N ATOM 1108 CA TRP A 71 0.368 7.564 4.081 1.00 0.00 C ATOM 1109 C TRP A 71 -0.059 8.766 3.244 1.00 0.00 C ATOM 1110 O TRP A 71 -0.779 9.643 3.722 1.00 0.00 O ATOM 1111 CB TRP A 71 1.655 7.871 4.846 1.00 0.00 C ATOM 1112 CG TRP A 71 1.432 8.702 6.073 1.00 0.00 C ATOM 1113 CD1 TRP A 71 1.377 8.262 7.365 1.00 0.00 C ATOM 1114 CD2 TRP A 71 1.227 10.118 6.122 1.00 0.00 C ATOM 1115 NE1 TRP A 71 1.152 9.319 8.213 1.00 0.00 N ATOM 1116 CE2 TRP A 71 1.057 10.471 7.474 1.00 0.00 C ATOM 1117 CE3 TRP A 71 1.173 11.124 5.153 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 0.836 11.784 7.880 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 0.953 12.427 5.557 1.00 0.00 C ATOM 1120 CH2 TRP A 71 0.787 12.747 6.910 1.00 0.00 C ATOM 0 H TRP A 71 1.531 6.098 3.152 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.421 7.348 4.801 1.00 0.00 H new ATOM 0 HB2 TRP A 71 2.132 6.933 5.132 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.347 8.391 4.184 1.00 0.00 H new ATOM 0 HD1 TRP A 71 1.493 7.234 7.674 1.00 0.00 H new ATOM 0 HE1 TRP A 71 1.069 9.257 9.228 1.00 0.00 H new ATOM 0 HE3 TRP A 71 1.301 10.887 4.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.708 12.033 8.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 0.908 13.212 4.817 1.00 0.00 H new ATOM 0 HH2 TRP A 71 0.617 13.775 7.193 1.00 0.00 H new ATOM 1131 N ARG A 72 0.375 8.792 1.984 1.00 0.00 N ATOM 1132 CA ARG A 72 0.016 9.879 1.079 1.00 0.00 C ATOM 1133 C ARG A 72 -1.394 9.664 0.544 1.00 0.00 C ATOM 1134 O ARG A 72 -2.155 10.613 0.361 1.00 0.00 O ATOM 1135 CB ARG A 72 1.010 9.968 -0.084 1.00 0.00 C ATOM 1136 CG ARG A 72 1.871 11.220 -0.050 1.00 0.00 C ATOM 1137 CD ARG A 72 2.839 11.202 1.123 1.00 0.00 C ATOM 1138 NE ARG A 72 3.793 12.306 1.061 1.00 0.00 N ATOM 1139 CZ ARG A 72 3.472 13.579 1.280 1.00 0.00 C ATOM 1140 NH1 ARG A 72 2.222 13.912 1.583 1.00 0.00 N ATOM 1141 NH2 ARG A 72 4.399 14.522 1.197 1.00 0.00 N ATOM 0 H ARG A 72 0.972 8.076 1.570 1.00 0.00 H new ATOM 0 HA ARG A 72 0.051 10.817 1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.657 9.091 -0.067 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.460 9.940 -1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.430 11.304 -0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.232 12.100 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.279 11.259 2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.380 10.256 1.133 1.00 0.00 H new ATOM 0 HE ARG A 72 4.764 12.088 0.836 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.504 13.191 1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.981 14.889 1.750 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.361 14.273 0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.151 15.497 1.365 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.736 8.402 0.302 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.055 8.076 -0.201 1.00 0.00 C ATOM 1157 C GLY A 73 -4.140 8.323 0.830 1.00 0.00 C ATOM 1158 O GLY A 73 -5.285 8.607 0.480 1.00 0.00 O ATOM 0 H GLY A 73 -1.122 7.600 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.260 8.671 -1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.077 7.030 -0.505 1.00 0.00 H new ATOM 1162 N THR A 74 -3.777 8.216 2.106 1.00 0.00 N ATOM 1163 CA THR A 74 -4.727 8.432 3.190 1.00 0.00 C ATOM 1164 C THR A 74 -4.878 9.919 3.493 1.00 0.00 C ATOM 1165 O THR A 74 -5.990 10.423 3.650 1.00 0.00 O ATOM 1166 CB THR A 74 -4.279 7.686 4.449 1.00 0.00 C ATOM 1167 OG1 THR A 74 -2.921 7.966 4.745 1.00 0.00 O ATOM 1168 CG2 THR A 74 -4.429 6.183 4.340 1.00 0.00 C ATOM 0 H THR A 74 -2.833 7.981 2.413 1.00 0.00 H new ATOM 0 HA THR A 74 -5.695 8.044 2.872 1.00 0.00 H new ATOM 0 HB THR A 74 -4.935 8.042 5.243 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.342 7.401 4.192 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.094 5.716 5.266 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.476 5.933 4.166 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.826 5.816 3.509 1.00 0.00 H new ATOM 1176 N LEU A 75 -3.750 10.619 3.572 1.00 0.00 N ATOM 1177 CA LEU A 75 -3.756 12.050 3.855 1.00 0.00 C ATOM 1178 C LEU A 75 -3.581 12.858 2.573 1.00 0.00 C ATOM 1179 O LEU A 75 -4.496 13.559 2.139 1.00 0.00 O ATOM 1180 CB LEU A 75 -2.646 12.398 4.852 1.00 0.00 C ATOM 1181 CG LEU A 75 -3.129 13.020 6.166 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -2.977 12.033 7.314 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -2.367 14.304 6.462 1.00 0.00 C ATOM 0 H LEU A 75 -2.821 10.218 3.444 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.720 12.306 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.086 11.491 5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.952 13.089 4.374 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.186 13.264 6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.325 12.494 8.238 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.568 11.141 7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.928 11.756 7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.724 14.731 7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.303 14.084 6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.528 15.017 5.654 1.00 0.00 H new ATOM 1195 N ARG A 76 -2.400 12.754 1.971 1.00 0.00 N ATOM 1196 CA ARG A 76 -2.099 13.471 0.736 1.00 0.00 C ATOM 1197 C ARG A 76 -2.040 14.976 0.980 1.00 0.00 C ATOM 1198 O ARG A 76 -0.961 15.569 1.001 1.00 0.00 O ATOM 1199 CB ARG A 76 -3.144 13.152 -0.337 1.00 0.00 C ATOM 1200 CG ARG A 76 -2.543 12.684 -1.653 1.00 0.00 C ATOM 1201 CD ARG A 76 -3.611 12.162 -2.602 1.00 0.00 C ATOM 1202 NE ARG A 76 -3.883 13.100 -3.688 1.00 0.00 N ATOM 1203 CZ ARG A 76 -4.741 12.859 -4.677 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -5.413 11.715 -4.718 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -4.929 13.765 -5.626 1.00 0.00 N ATOM 0 H ARG A 76 -1.634 12.178 2.320 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.121 13.141 0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.816 12.381 0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.748 14.041 -0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.009 13.509 -2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.811 11.899 -1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.290 11.207 -3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.530 11.974 -2.046 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.387 13.991 -3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.273 11.015 -3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.069 11.536 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.416 14.646 -5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.586 13.581 -6.384 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.205 15.589 1.163 1.00 0.00 N ATOM 1220 CA TYR A 77 -3.282 17.025 1.403 1.00 0.00 C ATOM 1221 C TYR A 77 -3.526 17.318 2.880 1.00 0.00 C ATOM 1222 O TYR A 77 -4.108 16.504 3.598 1.00 0.00 O ATOM 1223 CB TYR A 77 -4.395 17.646 0.556 1.00 0.00 C ATOM 1224 CG TYR A 77 -3.967 17.981 -0.855 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -2.764 18.630 -1.100 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -4.768 17.650 -1.941 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -2.369 18.940 -2.389 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -4.381 17.957 -3.233 1.00 0.00 C ATOM 1229 CZ TYR A 77 -3.182 18.600 -3.451 1.00 0.00 C ATOM 1230 OH TYR A 77 -2.793 18.906 -4.735 1.00 0.00 O ATOM 0 H TYR A 77 -4.108 15.114 1.150 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.328 17.468 1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.238 16.956 0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.748 18.554 1.045 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.126 18.897 -0.270 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.708 17.145 -1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.430 19.445 -2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.015 17.694 -4.067 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.477 18.598 -5.366 1.00 0.00 H new ATOM 1240 N LYS A 78 -3.079 18.486 3.327 1.00 0.00 N ATOM 1241 CA LYS A 78 -3.249 18.890 4.717 1.00 0.00 C ATOM 1242 C LYS A 78 -4.659 19.417 4.961 1.00 0.00 C ATOM 1243 O LYS A 78 -5.096 20.372 4.318 1.00 0.00 O ATOM 1244 CB LYS A 78 -2.218 19.957 5.090 1.00 0.00 C ATOM 1245 CG LYS A 78 -1.048 19.417 5.897 1.00 0.00 C ATOM 1246 CD LYS A 78 -0.366 20.518 6.693 1.00 0.00 C ATOM 1247 CE LYS A 78 0.741 21.182 5.891 1.00 0.00 C ATOM 1248 NZ LYS A 78 2.017 20.419 5.965 1.00 0.00 N ATOM 0 H LYS A 78 -2.595 19.171 2.746 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.096 18.013 5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.838 20.417 4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.711 20.743 5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.400 18.640 6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.326 18.951 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.103 21.266 6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.048 20.101 7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.431 21.271 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.901 22.194 6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.746 20.906 5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.327 20.356 6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.871 19.461 5.586 1.00 0.00 H new ATOM 1262 N VAL A 79 -5.368 18.790 5.893 1.00 0.00 N ATOM 1263 CA VAL A 79 -6.729 19.196 6.220 1.00 0.00 C ATOM 1264 C VAL A 79 -6.765 20.000 7.517 1.00 0.00 C ATOM 1265 O VAL A 79 -6.464 19.479 8.591 1.00 0.00 O ATOM 1266 CB VAL A 79 -7.666 17.978 6.351 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -7.234 17.081 7.503 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -9.107 18.430 6.531 1.00 0.00 C ATOM 0 H VAL A 79 -5.022 17.998 6.435 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.079 19.822 5.399 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.601 17.398 5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.911 16.229 7.574 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.219 16.724 7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.262 17.646 8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -9.753 17.557 6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.188 19.037 7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -9.414 19.020 5.668 1.00 0.00 H new ATOM 1278 N ILE A 80 -7.132 21.273 7.407 1.00 0.00 N ATOM 1279 CA ILE A 80 -7.206 22.148 8.570 1.00 0.00 C ATOM 1280 C ILE A 80 -8.387 21.781 9.462 1.00 0.00 C ATOM 1281 O ILE A 80 -9.500 21.569 8.978 1.00 0.00 O ATOM 1282 CB ILE A 80 -7.333 23.627 8.153 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -6.291 23.974 7.086 1.00 0.00 C ATOM 1284 CG2 ILE A 80 -7.183 24.533 9.367 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -6.892 24.272 5.730 1.00 0.00 C ATOM 0 H ILE A 80 -7.382 21.720 6.525 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.279 22.012 9.126 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.323 23.785 7.726 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.717 24.839 7.418 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.591 23.144 6.990 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.275 25.574 9.058 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.962 24.300 10.093 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.205 24.374 9.821 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.097 24.510 5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.443 23.400 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.570 25.121 5.811 1.00 0.00 H new ATOM 1297 N GLN A 81 -8.138 21.707 10.765 1.00 0.00 N ATOM 1298 CA GLN A 81 -9.182 21.367 11.724 1.00 0.00 C ATOM 1299 C GLN A 81 -10.033 22.587 12.060 1.00 0.00 C ATOM 1300 O GLN A 81 -11.244 22.477 12.252 1.00 0.00 O ATOM 1301 CB GLN A 81 -8.562 20.797 13.001 1.00 0.00 C ATOM 1302 CG GLN A 81 -7.771 19.518 12.775 1.00 0.00 C ATOM 1303 CD GLN A 81 -8.622 18.400 12.206 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -9.692 18.090 12.728 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -8.148 17.788 11.127 1.00 0.00 N ATOM 0 H GLN A 81 -7.222 21.878 11.181 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.825 20.613 11.270 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.906 21.547 13.442 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.354 20.602 13.724 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.944 19.722 12.095 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -7.335 19.193 13.720 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.256 18.078 10.727 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.676 17.028 10.698 1.00 0.00 H new ATOM 1314 N GLN A 82 -9.391 23.747 12.130 1.00 0.00 N ATOM 1315 CA GLN A 82 -10.088 24.989 12.443 1.00 0.00 C ATOM 1316 C GLN A 82 -10.712 25.594 11.190 1.00 0.00 C ATOM 1317 O GLN A 82 -10.402 25.185 10.071 1.00 0.00 O ATOM 1318 CB GLN A 82 -9.125 25.993 13.081 1.00 0.00 C ATOM 1319 CG GLN A 82 -7.980 26.399 12.169 1.00 0.00 C ATOM 1320 CD GLN A 82 -6.663 25.761 12.564 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -6.553 24.537 12.645 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -5.656 26.587 12.813 1.00 0.00 N ATOM 0 H GLN A 82 -8.389 23.854 11.974 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.885 24.760 13.150 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.682 26.884 13.371 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.716 25.562 13.995 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.221 26.120 11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.873 27.484 12.187 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.792 27.595 12.734 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.746 26.215 13.084 1.00 0.00 H new ATOM 1331 N GLN A 83 -11.592 26.572 11.385 1.00 0.00 N ATOM 1332 CA GLN A 83 -12.257 27.234 10.270 1.00 0.00 C ATOM 1333 C GLN A 83 -11.312 28.210 9.576 1.00 0.00 C ATOM 1334 O GLN A 83 -10.265 28.567 10.116 1.00 0.00 O ATOM 1335 CB GLN A 83 -13.504 27.974 10.758 1.00 0.00 C ATOM 1336 CG GLN A 83 -14.407 27.127 11.640 1.00 0.00 C ATOM 1337 CD GLN A 83 -15.406 26.312 10.841 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -15.421 25.083 10.916 1.00 0.00 O ATOM 1339 NE2 GLN A 83 -16.244 26.994 10.071 1.00 0.00 N ATOM 0 H GLN A 83 -11.860 26.923 12.305 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.555 26.470 9.552 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.197 28.861 11.312 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -14.073 28.319 9.895 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -13.795 26.455 12.242 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.944 27.775 12.333 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.195 28.012 10.041 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -16.938 26.500 9.509 1.00 0.00 H new ATOM 1348 N GLY A 84 -11.688 28.638 8.375 1.00 0.00 N ATOM 1349 CA GLY A 84 -10.864 29.567 7.628 1.00 0.00 C ATOM 1350 C GLY A 84 -11.606 30.195 6.465 1.00 0.00 C ATOM 1351 O GLY A 84 -12.826 30.072 6.359 1.00 0.00 O ATOM 0 H GLY A 84 -12.549 28.357 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.511 30.352 8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.983 29.046 7.254 1.00 0.00 H new ATOM 1355 N TYR A 85 -10.868 30.871 5.589 1.00 0.00 N ATOM 1356 CA TYR A 85 -11.466 31.520 4.430 1.00 0.00 C ATOM 1357 C TYR A 85 -11.206 30.714 3.161 1.00 0.00 C ATOM 1358 O TYR A 85 -10.172 30.871 2.514 1.00 0.00 O ATOM 1359 CB TYR A 85 -10.911 32.937 4.269 1.00 0.00 C ATOM 1360 CG TYR A 85 -11.924 33.927 3.742 1.00 0.00 C ATOM 1361 CD1 TYR A 85 -13.158 34.084 4.363 1.00 0.00 C ATOM 1362 CD2 TYR A 85 -11.648 34.704 2.624 1.00 0.00 C ATOM 1363 CE1 TYR A 85 -14.086 34.987 3.883 1.00 0.00 C ATOM 1364 CE2 TYR A 85 -12.573 35.610 2.139 1.00 0.00 C ATOM 1365 CZ TYR A 85 -13.790 35.747 2.772 1.00 0.00 C ATOM 1366 OH TYR A 85 -14.713 36.648 2.293 1.00 0.00 O ATOM 0 H TYR A 85 -9.857 30.983 5.661 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.543 31.575 4.591 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.542 33.286 5.234 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.057 32.909 3.593 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -13.394 33.491 5.234 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.696 34.599 2.126 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -15.040 35.097 4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.343 36.207 1.269 1.00 0.00 H new ATOM 0 HH TYR A 85 -14.348 37.103 1.506 1.00 0.00 H new ATOM 1376 N ARG A 86 -12.154 29.852 2.811 1.00 0.00 N ATOM 1377 CA ARG A 86 -12.030 29.020 1.619 1.00 0.00 C ATOM 1378 C ARG A 86 -12.569 29.746 0.391 1.00 0.00 C ATOM 1379 O ARG A 86 -12.041 29.599 -0.711 1.00 0.00 O ATOM 1380 CB ARG A 86 -12.774 27.698 1.813 1.00 0.00 C ATOM 1381 CG ARG A 86 -12.050 26.499 1.222 1.00 0.00 C ATOM 1382 CD ARG A 86 -12.315 26.368 -0.269 1.00 0.00 C ATOM 1383 NE ARG A 86 -11.214 25.706 -0.965 1.00 0.00 N ATOM 1384 CZ ARG A 86 -11.014 24.390 -0.955 1.00 0.00 C ATOM 1385 NH1 ARG A 86 -11.839 23.591 -0.289 1.00 0.00 N ATOM 1386 NH2 ARG A 86 -9.987 23.872 -1.614 1.00 0.00 N ATOM 0 H ARG A 86 -13.017 29.711 3.336 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.972 28.812 1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.927 27.530 2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.761 27.776 1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.978 26.598 1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.372 25.591 1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.234 25.804 -0.426 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.472 27.358 -0.698 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.560 26.287 -1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.631 23.985 0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.681 22.583 -0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.351 24.482 -2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.833 22.864 -1.607 1.00 0.00 H new ATOM 1400 N GLY A 87 -13.623 30.533 0.590 1.00 0.00 N ATOM 1401 CA GLY A 87 -14.215 31.271 -0.510 1.00 0.00 C ATOM 1402 C GLY A 87 -15.665 31.633 -0.252 1.00 0.00 C ATOM 1403 O GLY A 87 -16.563 30.815 -0.456 1.00 0.00 O ATOM 0 H GLY A 87 -14.077 30.672 1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -13.642 32.182 -0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -14.149 30.675 -1.420 1.00 0.00 H new ATOM 1407 N LYS A 88 -15.893 32.863 0.198 1.00 0.00 N ATOM 1408 CA LYS A 88 -17.244 33.333 0.486 1.00 0.00 C ATOM 1409 C LYS A 88 -17.809 34.118 -0.694 1.00 0.00 C ATOM 1410 O LYS A 88 -17.605 35.329 -0.801 1.00 0.00 O ATOM 1411 CB LYS A 88 -17.245 34.206 1.742 1.00 0.00 C ATOM 1412 CG LYS A 88 -18.570 34.199 2.487 1.00 0.00 C ATOM 1413 CD LYS A 88 -18.473 33.430 3.796 1.00 0.00 C ATOM 1414 CE LYS A 88 -18.358 34.367 4.988 1.00 0.00 C ATOM 1415 NZ LYS A 88 -17.317 33.915 5.951 1.00 0.00 N ATOM 0 H LYS A 88 -15.161 33.552 0.371 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.877 32.462 0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.458 33.862 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -17.000 35.231 1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -18.880 35.224 2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -19.339 33.752 1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -19.353 32.797 3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.607 32.769 3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.118 35.371 4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.320 34.428 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -17.270 34.580 6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.559 32.967 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.394 33.881 5.474 1.00 0.00 H new ATOM 1429 N ASN A 89 -18.518 33.424 -1.578 1.00 0.00 N ATOM 1430 CA ASN A 89 -19.111 34.057 -2.749 1.00 0.00 C ATOM 1431 C ASN A 89 -20.634 34.055 -2.656 1.00 0.00 C ATOM 1432 O ASN A 89 -21.251 35.090 -2.400 1.00 0.00 O ATOM 1433 CB ASN A 89 -18.668 33.337 -4.024 1.00 0.00 C ATOM 1434 CG ASN A 89 -17.422 33.950 -4.633 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -17.073 35.094 -4.342 1.00 0.00 O ATOM 1436 ND2 ASN A 89 -16.743 33.190 -5.484 1.00 0.00 N ATOM 0 H ASN A 89 -18.696 32.422 -1.505 1.00 0.00 H new ATOM 0 HA ASN A 89 -18.767 35.091 -2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -18.480 32.287 -3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -19.477 33.366 -4.754 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -15.896 33.549 -5.925 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -17.068 32.247 -5.697 1.00 0.00 H new ATOM 1443 N SER A 90 -21.234 32.888 -2.864 1.00 0.00 N ATOM 1444 CA SER A 90 -22.685 32.753 -2.802 1.00 0.00 C ATOM 1445 C SER A 90 -23.094 31.283 -2.791 1.00 0.00 C ATOM 1446 O SER A 90 -23.596 30.775 -1.787 1.00 0.00 O ATOM 1447 CB SER A 90 -23.334 33.468 -3.988 1.00 0.00 C ATOM 1448 OG SER A 90 -24.491 34.180 -3.584 1.00 0.00 O ATOM 0 H SER A 90 -20.738 32.022 -3.077 1.00 0.00 H new ATOM 0 HA SER A 90 -23.030 33.213 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 90 -22.618 34.156 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 90 -23.600 32.740 -4.754 1.00 0.00 H new ATOM 0 HG SER A 90 -24.886 34.630 -4.360 1.00 0.00 H new ATOM 1454 N VAL A 91 -22.877 30.606 -3.913 1.00 0.00 N ATOM 1455 CA VAL A 91 -23.222 29.194 -4.033 1.00 0.00 C ATOM 1456 C VAL A 91 -21.983 28.314 -3.917 1.00 0.00 C ATOM 1457 O VAL A 91 -21.034 28.455 -4.688 1.00 0.00 O ATOM 1458 CB VAL A 91 -23.927 28.899 -5.372 1.00 0.00 C ATOM 1459 CG1 VAL A 91 -24.418 27.460 -5.412 1.00 0.00 C ATOM 1460 CG2 VAL A 91 -25.077 29.867 -5.599 1.00 0.00 C ATOM 0 H VAL A 91 -22.464 31.012 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 91 -23.904 28.964 -3.215 1.00 0.00 H new ATOM 0 HB VAL A 91 -23.205 29.036 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -24.913 27.271 -6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -23.571 26.783 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -25.123 27.293 -4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -25.561 29.641 -6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -25.801 29.767 -4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -24.695 30.888 -5.620 1.00 0.00 H new ATOM 1470 N ALA A 92 -21.999 27.401 -2.950 1.00 0.00 N ATOM 1471 CA ALA A 92 -20.876 26.496 -2.734 1.00 0.00 C ATOM 1472 C ALA A 92 -20.727 25.521 -3.895 1.00 0.00 C ATOM 1473 O ALA A 92 -19.726 25.539 -4.610 1.00 0.00 O ATOM 1474 CB ALA A 92 -21.054 25.740 -1.426 1.00 0.00 C ATOM 0 H ALA A 92 -22.777 27.269 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 92 -19.965 27.092 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -20.209 25.068 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.104 26.449 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -21.976 25.161 -1.463 1.00 0.00 H new ATOM 1480 N ALA A 93 -21.730 24.667 -4.077 1.00 0.00 N ATOM 1481 CA ALA A 93 -21.710 23.682 -5.152 1.00 0.00 C ATOM 1482 C ALA A 93 -23.092 23.073 -5.364 1.00 0.00 C ATOM 1483 O ALA A 93 -23.744 23.326 -6.374 1.00 0.00 O ATOM 1484 CB ALA A 93 -20.690 22.593 -4.850 1.00 0.00 C ATOM 0 H ALA A 93 -22.566 24.638 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 93 -21.421 24.189 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -20.685 21.864 -5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -19.699 23.038 -4.756 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -20.954 22.096 -3.917 1.00 0.00 H new ATOM 1490 N ARG A 94 -23.530 22.266 -4.401 1.00 0.00 N ATOM 1491 CA ARG A 94 -24.836 21.620 -4.483 1.00 0.00 C ATOM 1492 C ARG A 94 -24.927 20.734 -5.720 1.00 0.00 C ATOM 1493 O ARG A 94 -25.942 20.724 -6.417 1.00 0.00 O ATOM 1494 CB ARG A 94 -25.947 22.672 -4.505 1.00 0.00 C ATOM 1495 CG ARG A 94 -26.449 23.056 -3.122 1.00 0.00 C ATOM 1496 CD ARG A 94 -26.671 24.556 -3.005 1.00 0.00 C ATOM 1497 NE ARG A 94 -28.018 24.944 -3.416 1.00 0.00 N ATOM 1498 CZ ARG A 94 -28.420 26.208 -3.537 1.00 0.00 C ATOM 1499 NH1 ARG A 94 -27.584 27.205 -3.280 1.00 0.00 N ATOM 1500 NH2 ARG A 94 -29.664 26.474 -3.917 1.00 0.00 N ATOM 0 H ARG A 94 -23.001 22.045 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 94 -24.961 20.991 -3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -25.580 23.565 -5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -26.783 22.294 -5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -27.382 22.532 -2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -25.728 22.734 -2.370 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -26.503 24.868 -1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -25.939 25.080 -3.620 1.00 0.00 H new ATOM 0 HE ARG A 94 -28.689 24.204 -3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -26.627 27.006 -2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -27.898 28.171 -3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -30.311 25.711 -4.116 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -29.973 27.442 -4.010 1.00 0.00 H new ATOM 1514 N SER A 95 -23.861 19.987 -5.987 1.00 0.00 N ATOM 1515 CA SER A 95 -23.822 19.095 -7.140 1.00 0.00 C ATOM 1516 C SER A 95 -22.633 18.141 -7.051 1.00 0.00 C ATOM 1517 O SER A 95 -21.726 18.183 -7.882 1.00 0.00 O ATOM 1518 CB SER A 95 -23.747 19.905 -8.437 1.00 0.00 C ATOM 1519 OG SER A 95 -24.459 19.263 -9.482 1.00 0.00 O ATOM 0 H SER A 95 -23.013 19.982 -5.421 1.00 0.00 H new ATOM 0 HA SER A 95 -24.738 18.505 -7.142 1.00 0.00 H new ATOM 0 HB2 SER A 95 -24.158 20.901 -8.272 1.00 0.00 H new ATOM 0 HB3 SER A 95 -22.705 20.034 -8.729 1.00 0.00 H new ATOM 0 HG SER A 95 -24.397 19.801 -10.299 1.00 0.00 H new ATOM 1525 N PRO A 96 -22.620 17.262 -6.033 1.00 0.00 N ATOM 1526 CA PRO A 96 -21.535 16.294 -5.837 1.00 0.00 C ATOM 1527 C PRO A 96 -21.280 15.450 -7.082 1.00 0.00 C ATOM 1528 O PRO A 96 -21.842 15.711 -8.145 1.00 0.00 O ATOM 1529 CB PRO A 96 -22.042 15.414 -4.691 1.00 0.00 C ATOM 1530 CG PRO A 96 -23.017 16.267 -3.957 1.00 0.00 C ATOM 1531 CD PRO A 96 -23.661 17.143 -4.996 1.00 0.00 C ATOM 0 HA PRO A 96 -20.586 16.786 -5.625 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -22.515 14.508 -5.068 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -21.224 15.100 -4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -23.761 15.657 -3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -22.517 16.866 -3.196 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -24.573 16.695 -5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -23.935 18.116 -4.588 1.00 0.00 H new ATOM 1539 N GLU A 97 -20.429 14.439 -6.941 1.00 0.00 N ATOM 1540 CA GLU A 97 -20.100 13.558 -8.055 1.00 0.00 C ATOM 1541 C GLU A 97 -20.099 12.099 -7.611 1.00 0.00 C ATOM 1542 O GLU A 97 -19.133 11.621 -7.016 1.00 0.00 O ATOM 1543 CB GLU A 97 -18.733 13.926 -8.637 1.00 0.00 C ATOM 1544 CG GLU A 97 -18.785 15.083 -9.623 1.00 0.00 C ATOM 1545 CD GLU A 97 -18.576 14.637 -11.057 1.00 0.00 C ATOM 1546 OE1 GLU A 97 -19.468 13.952 -11.601 1.00 0.00 O ATOM 1547 OE2 GLU A 97 -17.521 14.972 -11.637 1.00 0.00 O ATOM 0 H GLU A 97 -19.955 14.210 -6.067 1.00 0.00 H new ATOM 0 HA GLU A 97 -20.861 13.686 -8.824 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -18.057 14.184 -7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.312 13.053 -9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -19.749 15.584 -9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -18.022 15.815 -9.359 1.00 0.00 H new ATOM 1554 N LYS A 98 -21.187 11.396 -7.905 1.00 0.00 N ATOM 1555 CA LYS A 98 -21.313 9.991 -7.536 1.00 0.00 C ATOM 1556 C LYS A 98 -21.239 9.817 -6.022 1.00 0.00 C ATOM 1557 O LYS A 98 -20.165 9.590 -5.466 1.00 0.00 O ATOM 1558 CB LYS A 98 -20.216 9.164 -8.211 1.00 0.00 C ATOM 1559 CG LYS A 98 -20.496 7.670 -8.215 1.00 0.00 C ATOM 1560 CD LYS A 98 -19.315 6.876 -7.679 1.00 0.00 C ATOM 1561 CE LYS A 98 -19.660 5.403 -7.522 1.00 0.00 C ATOM 1562 NZ LYS A 98 -18.447 4.541 -7.576 1.00 0.00 N ATOM 0 H LYS A 98 -21.995 11.776 -8.398 1.00 0.00 H new ATOM 0 HA LYS A 98 -22.286 9.638 -7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -20.096 9.505 -9.239 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -19.270 9.347 -7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -21.379 7.463 -7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -20.723 7.345 -9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -18.467 6.982 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -19.008 7.284 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -20.173 5.249 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -20.352 5.106 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.724 3.545 -7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.971 4.668 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -17.798 4.807 -6.809 1.00 0.00 H new ATOM 1576 N ALA A 99 -22.387 9.924 -5.363 1.00 0.00 N ATOM 1577 CA ALA A 99 -22.452 9.779 -3.913 1.00 0.00 C ATOM 1578 C ALA A 99 -23.743 9.089 -3.487 1.00 0.00 C ATOM 1579 O ALA A 99 -24.274 9.356 -2.409 1.00 0.00 O ATOM 1580 CB ALA A 99 -22.330 11.139 -3.242 1.00 0.00 C ATOM 0 H ALA A 99 -23.285 10.111 -5.809 1.00 0.00 H new ATOM 0 HA ALA A 99 -21.617 9.154 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -22.380 11.017 -2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -21.377 11.594 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.146 11.782 -3.572 1.00 0.00 H new ATOM 1586 N SER A 100 -24.244 8.202 -4.340 1.00 0.00 N ATOM 1587 CA SER A 100 -25.473 7.472 -4.052 1.00 0.00 C ATOM 1588 C SER A 100 -25.176 6.012 -3.724 1.00 0.00 C ATOM 1589 O SER A 100 -25.981 5.126 -4.008 1.00 0.00 O ATOM 1590 CB SER A 100 -26.430 7.555 -5.241 1.00 0.00 C ATOM 1591 OG SER A 100 -26.503 8.876 -5.748 1.00 0.00 O ATOM 0 H SER A 100 -23.817 7.971 -5.237 1.00 0.00 H new ATOM 0 HA SER A 100 -25.943 7.932 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 100 -26.096 6.878 -6.028 1.00 0.00 H new ATOM 0 HB3 SER A 100 -27.423 7.224 -4.936 1.00 0.00 H new ATOM 0 HG SER A 100 -27.120 8.901 -6.509 1.00 0.00 H new ATOM 1597 N ASN A 101 -24.016 5.769 -3.125 1.00 0.00 N ATOM 1598 CA ASN A 101 -23.612 4.418 -2.759 1.00 0.00 C ATOM 1599 C ASN A 101 -23.099 4.373 -1.323 1.00 0.00 C ATOM 1600 O ASN A 101 -22.330 5.238 -0.901 1.00 0.00 O ATOM 1601 CB ASN A 101 -22.535 3.907 -3.718 1.00 0.00 C ATOM 1602 CG ASN A 101 -23.060 2.852 -4.670 1.00 0.00 C ATOM 1603 OD1 ASN A 101 -23.531 3.166 -5.764 1.00 0.00 O ATOM 1604 ND2 ASN A 101 -22.982 1.592 -4.259 1.00 0.00 N ATOM 0 H ASN A 101 -23.338 6.492 -2.882 1.00 0.00 H new ATOM 0 HA ASN A 101 -24.487 3.772 -2.832 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -22.137 4.744 -4.292 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -21.707 3.493 -3.142 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -23.320 0.838 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -22.584 1.378 -3.345 1.00 0.00 H new ATOM 1611 N MET A 102 -23.531 3.362 -0.577 1.00 0.00 N ATOM 1612 CA MET A 102 -23.115 3.206 0.812 1.00 0.00 C ATOM 1613 C MET A 102 -23.353 1.778 1.294 1.00 0.00 C ATOM 1614 O MET A 102 -24.406 1.195 1.040 1.00 0.00 O ATOM 1615 CB MET A 102 -23.870 4.190 1.707 1.00 0.00 C ATOM 1616 CG MET A 102 -25.372 4.199 1.471 1.00 0.00 C ATOM 1617 SD MET A 102 -26.133 5.775 1.901 1.00 0.00 S ATOM 1618 CE MET A 102 -26.598 6.377 0.279 1.00 0.00 C ATOM 0 H MET A 102 -24.168 2.639 -0.910 1.00 0.00 H new ATOM 0 HA MET A 102 -22.047 3.418 0.871 1.00 0.00 H new ATOM 0 HB2 MET A 102 -23.676 3.941 2.750 1.00 0.00 H new ATOM 0 HB3 MET A 102 -23.479 5.194 1.540 1.00 0.00 H new ATOM 0 HG2 MET A 102 -25.572 3.977 0.423 1.00 0.00 H new ATOM 0 HG3 MET A 102 -25.833 3.405 2.059 1.00 0.00 H new ATOM 0 HE1 MET A 102 -27.083 7.348 0.377 1.00 0.00 H new ATOM 0 HE2 MET A 102 -25.707 6.477 -0.341 1.00 0.00 H new ATOM 0 HE3 MET A 102 -27.287 5.672 -0.187 1.00 0.00 H new ATOM 1628 N GLU A 103 -22.366 1.223 1.989 1.00 0.00 N ATOM 1629 CA GLU A 103 -22.467 -0.136 2.508 1.00 0.00 C ATOM 1630 C GLU A 103 -22.645 -1.140 1.372 1.00 0.00 C ATOM 1631 O GLU A 103 -23.766 -1.524 1.038 1.00 0.00 O ATOM 1632 CB GLU A 103 -23.639 -0.246 3.486 1.00 0.00 C ATOM 1633 CG GLU A 103 -23.593 0.782 4.606 1.00 0.00 C ATOM 1634 CD GLU A 103 -24.943 1.422 4.864 1.00 0.00 C ATOM 1635 OE1 GLU A 103 -25.711 0.880 5.687 1.00 0.00 O ATOM 1636 OE2 GLU A 103 -25.233 2.468 4.245 1.00 0.00 O ATOM 0 H GLU A 103 -21.487 1.693 2.206 1.00 0.00 H new ATOM 0 HA GLU A 103 -21.540 -0.367 3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -24.573 -0.131 2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -23.646 -1.245 3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -23.241 0.303 5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -22.870 1.557 4.354 1.00 0.00 H new ATOM 1643 N ASN A 104 -21.530 -1.560 0.782 1.00 0.00 N ATOM 1644 CA ASN A 104 -21.563 -2.518 -0.317 1.00 0.00 C ATOM 1645 C ASN A 104 -20.824 -3.800 0.057 1.00 0.00 C ATOM 1646 O ASN A 104 -19.712 -3.756 0.582 1.00 0.00 O ATOM 1647 CB ASN A 104 -20.940 -1.907 -1.573 1.00 0.00 C ATOM 1648 CG ASN A 104 -21.631 -2.362 -2.843 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -22.325 -3.379 -2.855 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -21.446 -1.608 -3.920 1.00 0.00 N ATOM 0 H ASN A 104 -20.594 -1.252 1.046 1.00 0.00 H new ATOM 0 HA ASN A 104 -22.605 -2.765 -0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -20.988 -0.820 -1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -19.885 -2.178 -1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -21.887 -1.863 -4.803 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -20.862 -0.773 -3.864 1.00 0.00 H new ATOM 1657 N ASN A 105 -21.451 -4.940 -0.216 1.00 0.00 N ATOM 1658 CA ASN A 105 -20.853 -6.233 0.093 1.00 0.00 C ATOM 1659 C ASN A 105 -19.579 -6.451 -0.718 1.00 0.00 C ATOM 1660 O ASN A 105 -18.625 -7.064 -0.239 1.00 0.00 O ATOM 1661 CB ASN A 105 -21.852 -7.360 -0.189 1.00 0.00 C ATOM 1662 CG ASN A 105 -22.567 -7.827 1.062 1.00 0.00 C ATOM 1663 OD1 ASN A 105 -23.763 -7.595 1.233 1.00 0.00 O ATOM 1664 ND2 ASN A 105 -21.833 -8.491 1.949 1.00 0.00 N ATOM 0 H ASN A 105 -22.372 -4.994 -0.650 1.00 0.00 H new ATOM 0 HA ASN A 105 -20.594 -6.243 1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -22.587 -7.016 -0.917 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -21.327 -8.202 -0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -22.259 -8.830 2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -20.844 -8.662 1.767 1.00 0.00 H new ATOM 1671 N GLU A 106 -19.572 -5.945 -1.947 1.00 0.00 N ATOM 1672 CA GLU A 106 -18.416 -6.084 -2.822 1.00 0.00 C ATOM 1673 C GLU A 106 -17.235 -5.273 -2.298 1.00 0.00 C ATOM 1674 O GLU A 106 -16.157 -5.867 -2.087 1.00 0.00 O ATOM 1675 CB GLU A 106 -18.768 -5.634 -4.242 1.00 0.00 C ATOM 1676 CG GLU A 106 -18.153 -6.505 -5.326 1.00 0.00 C ATOM 1677 CD GLU A 106 -18.522 -6.044 -6.721 1.00 0.00 C ATOM 1678 OE1 GLU A 106 -17.974 -5.016 -7.173 1.00 0.00 O ATOM 1679 OE2 GLU A 106 -19.359 -6.712 -7.367 1.00 0.00 O ATOM 1680 OXT GLU A 106 -17.399 -4.050 -2.102 1.00 0.00 O ATOM 0 H GLU A 106 -20.354 -5.435 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 106 -18.131 -7.136 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -19.852 -5.636 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -18.435 -4.605 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -17.068 -6.499 -5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -18.481 -7.535 -5.189 1.00 0.00 H new TER 1687 GLU A 106