USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 571 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 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -69:sc= -0.414 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.72 K(o=1.7,f=-11!) USER MOD Single : A 53 ASN : amide:sc=-0.00427 K(o=-0.0043,f=-0.59) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.922 K(o=-0.92,f=-4.9!) USER MOD Single : A 73 SER OG : rot -150:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 30:sc= 1.31 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.446 K(o=0.45,f=-0.41) USER MOD Single : A 90 GLN : amide:sc= -0.0832 X(o=-0.083,f=-0.1) USER MOD Single : A 91 GLN : amide:sc= -0.0409 X(o=-0.041,f=-0.055) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -165:sc= 0.796 (180deg=0.68) USER MOD Single : A 101 SER OG : rot 180:sc= 0.513 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot -22:sc= 1.2 USER MOD Single : A 104 THR OG1 : rot -170:sc= 1.3 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.97) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0.246 X(o=0.25,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO A 40 5.856 1.498 1.544 1.00 0.00 N0 ATOM 29 CA PRO A 40 6.050 2.429 0.440 1.00 0.00 C0 ATOM 30 C PRO A 40 6.909 3.614 0.862 1.00 0.00 C0 ATOM 31 O PRO A 40 6.705 4.191 1.931 1.00 0.00 O0 ATOM 32 CB PRO A 40 4.620 2.860 0.098 1.00 0.00 C0 ATOM 33 CG PRO A 40 3.777 1.711 0.537 1.00 0.00 C0 ATOM 34 CD PRO A 40 4.432 1.231 1.806 1.00 0.00 C0 ATOM 0 HA PRO A 40 6.575 1.990 -0.408 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.345 3.777 0.619 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.506 3.053 -0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.746 2.019 0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.751 0.926 -0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.071 1.773 2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.243 0.173 1.986 1.00 0.00 H new ATOM 42 N LYS A 41 7.868 3.973 0.017 1.00 0.00 N0 ATOM 43 CA LYS A 41 8.730 5.120 0.279 1.00 0.00 C0 ATOM 44 C LYS A 41 8.035 6.425 -0.087 1.00 0.00 C0 ATOM 45 O LYS A 41 7.040 6.430 -0.812 1.00 0.00 O0 ATOM 46 CB LYS A 41 10.045 4.992 -0.494 1.00 0.00 C0 ATOM 47 CG LYS A 41 10.944 3.858 -0.017 1.00 0.00 C0 ATOM 48 CD LYS A 41 12.265 3.846 -0.774 1.00 0.00 C0 ATOM 49 CE LYS A 41 13.186 2.749 -0.260 1.00 0.00 C0 ATOM 50 NZ LYS A 41 14.480 2.723 -0.993 1.00 0.00 N0 ATOM 0 H LYS A 41 8.069 3.486 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 41 8.947 5.135 1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.819 4.842 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.592 5.931 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.135 3.966 1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.435 2.904 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.076 3.697 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.755 4.814 -0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.374 2.901 0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.692 1.783 -0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.079 1.962 -0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.303 2.553 -2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.964 3.636 -0.875 1.00 0.00 H new ATOM 64 N GLY A 42 8.566 7.534 0.421 1.00 0.00 N0 ATOM 65 CA GLY A 42 7.952 8.842 0.214 1.00 0.00 C0 ATOM 66 C GLY A 42 7.432 9.418 1.525 1.00 0.00 C0 ATOM 67 O GLY A 42 7.224 10.624 1.643 1.00 0.00 O0 ATOM 0 H GLY A 42 9.420 7.553 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.681 9.524 -0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.132 8.753 -0.498 1.00 0.00 H new ATOM 71 N SER A 43 7.224 8.547 2.506 1.00 0.00 N0 ATOM 72 CA SER A 43 6.804 8.978 3.836 1.00 0.00 C0 ATOM 73 C SER A 43 7.219 7.968 4.898 1.00 0.00 C0 ATOM 74 O SER A 43 7.149 6.758 4.680 1.00 0.00 O0 ATOM 75 CB SER A 43 5.299 9.172 3.869 1.00 0.00 C0 ATOM 76 OG SER A 43 4.864 9.471 5.168 1.00 0.00 O0 ATOM 0 H SER A 43 7.339 7.538 2.406 1.00 0.00 H new ATOM 0 HA SER A 43 7.296 9.926 4.055 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.017 9.978 3.192 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.803 8.269 3.514 1.00 0.00 H new ATOM 0 HG SER A 43 4.968 8.681 5.738 1.00 0.00 H new ATOM 82 N ALA A 44 7.655 8.472 6.048 1.00 0.00 N0 ATOM 83 CA ALA A 44 8.004 7.618 7.176 1.00 0.00 C0 ATOM 84 C ALA A 44 6.774 7.275 8.008 1.00 0.00 C0 ATOM 85 O ALA A 44 5.815 8.045 8.062 1.00 0.00 O0 ATOM 86 CB ALA A 44 9.057 8.288 8.043 1.00 0.00 C0 ATOM 0 H ALA A 44 7.775 9.470 6.223 1.00 0.00 H new ATOM 0 HA ALA A 44 8.414 6.689 6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.306 7.637 8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.952 8.475 7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.669 9.234 8.421 1.00 0.00 H new ATOM 92 N PHE A 45 6.809 6.115 8.654 1.00 0.00 N0 ATOM 93 CA PHE A 45 5.650 5.607 9.379 1.00 0.00 C0 ATOM 94 C PHE A 45 5.925 5.535 10.875 1.00 0.00 C0 ATOM 95 O PHE A 45 7.014 5.152 11.299 1.00 0.00 O0 ATOM 96 CB PHE A 45 5.259 4.221 8.860 1.00 0.00 C0 ATOM 97 CG PHE A 45 4.836 4.211 7.419 1.00 0.00 C0 ATOM 98 CD1 PHE A 45 5.781 4.152 6.405 1.00 0.00 C0 ATOM 99 CD2 PHE A 45 3.494 4.259 7.074 1.00 0.00 C0 ATOM 100 CE1 PHE A 45 5.392 4.143 5.079 1.00 0.00 C0 ATOM 101 CE2 PHE A 45 3.103 4.248 5.750 1.00 0.00 C0 ATOM 102 CZ PHE A 45 4.054 4.192 4.751 1.00 0.00 C0 ATOM 0 H PHE A 45 7.628 5.508 8.691 1.00 0.00 H new ATOM 0 HA PHE A 45 4.825 6.300 9.211 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.104 3.544 8.986 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.445 3.831 9.471 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.831 4.113 6.654 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.745 4.306 7.851 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.137 4.098 4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.054 4.283 5.496 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.750 4.187 3.715 1.00 0.00 H new ATOM 112 N VAL A 46 4.927 5.907 11.672 1.00 0.00 N0 ATOM 113 CA VAL A 46 5.069 5.911 13.123 1.00 0.00 C0 ATOM 114 C VAL A 46 3.797 5.415 13.801 1.00 0.00 C0 ATOM 115 O VAL A 46 2.688 5.739 13.373 1.00 0.00 O0 ATOM 116 CB VAL A 46 5.398 7.327 13.628 1.00 0.00 C0 ATOM 117 CG1 VAL A 46 4.272 8.292 13.278 1.00 0.00 C0 ATOM 118 CG2 VAL A 46 5.637 7.301 15.130 1.00 0.00 C0 ATOM 0 H VAL A 46 4.012 6.209 11.337 1.00 0.00 H new ATOM 0 HA VAL A 46 5.887 5.237 13.376 1.00 0.00 H new ATOM 0 HB VAL A 46 6.307 7.674 13.137 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.521 9.289 13.642 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.142 8.323 12.196 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.346 7.956 13.745 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.869 8.307 15.479 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.741 6.940 15.635 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.472 6.638 15.354 1.00 0.00 H new ATOM 128 N ARG A 47 3.963 4.631 14.859 1.00 0.00 N0 ATOM 129 CA ARG A 47 2.827 4.120 15.620 1.00 0.00 C0 ATOM 130 C ARG A 47 2.769 4.745 17.009 1.00 0.00 C0 ATOM 131 O ARG A 47 3.635 4.494 17.849 1.00 0.00 O0 ATOM 132 CB ARG A 47 2.910 2.606 15.753 1.00 0.00 C0 ATOM 133 CG ARG A 47 1.782 1.972 16.552 1.00 0.00 C0 ATOM 134 CD ARG A 47 1.774 0.494 16.412 1.00 0.00 C0 ATOM 135 NE ARG A 47 1.423 0.080 15.062 1.00 0.00 N0 ATOM 136 CZ ARG A 47 1.540 -1.179 14.593 1.00 0.00 C0 ATOM 137 NH1 ARG A 47 2.002 -2.132 15.374 1.00 0.00 N0 ATOM 138 NH2 ARG A 47 1.194 -1.455 13.349 1.00 0.00 N0 ATOM 0 H ARG A 47 4.873 4.334 15.211 1.00 0.00 H new ATOM 0 HA ARG A 47 1.921 4.387 15.076 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.920 2.168 14.755 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.859 2.348 16.224 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.887 2.237 17.604 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.827 2.375 16.216 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.757 0.099 16.669 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.064 0.066 17.119 1.00 0.00 H new ATOM 0 HE ARG A 47 1.063 0.792 14.426 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.272 -1.919 16.334 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.090 -3.084 15.019 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.838 -0.716 12.743 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.283 -2.407 12.994 1.00 0.00 H new ATOM 152 N ALA A 48 1.744 5.556 17.242 1.00 0.00 N0 ATOM 153 CA ALA A 48 1.568 6.214 18.533 1.00 0.00 C0 ATOM 154 C ALA A 48 0.762 5.343 19.490 1.00 0.00 C0 ATOM 155 O ALA A 48 -0.357 4.936 19.179 1.00 0.00 O0 ATOM 156 CB ALA A 48 0.891 7.565 18.350 1.00 0.00 C0 ATOM 0 H ALA A 48 1.022 5.774 16.555 1.00 0.00 H new ATOM 0 HA ALA A 48 2.555 6.370 18.969 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.766 8.044 19.321 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.507 8.197 17.710 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.086 7.423 17.888 1.00 0.00 H new ATOM 162 N TYR A 49 1.339 5.060 20.651 1.00 0.00 N0 ATOM 163 CA TYR A 49 0.679 4.230 21.653 1.00 0.00 C0 ATOM 164 C TYR A 49 0.275 5.054 22.871 1.00 0.00 C0 ATOM 165 O TYR A 49 1.058 5.860 23.374 1.00 0.00 O0 ATOM 166 CB TYR A 49 1.588 3.073 22.072 1.00 0.00 C0 ATOM 167 CG TYR A 49 1.008 2.211 23.173 1.00 0.00 C0 ATOM 168 CD1 TYR A 49 0.154 1.164 22.857 1.00 0.00 C0 ATOM 169 CD2 TYR A 49 1.333 2.465 24.497 1.00 0.00 C0 ATOM 170 CE1 TYR A 49 -0.375 0.376 23.862 1.00 0.00 C0 ATOM 171 CE2 TYR A 49 0.805 1.679 25.502 1.00 0.00 C0 ATOM 172 CZ TYR A 49 -0.046 0.638 25.187 1.00 0.00 C0 ATOM 173 OH TYR A 49 -0.573 -0.146 26.187 1.00 0.00 O0 ATOM 0 H TYR A 49 2.264 5.393 20.923 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.227 3.821 21.206 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.790 2.448 21.202 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.545 3.476 22.404 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.097 0.965 21.826 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.000 3.278 24.742 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.041 -0.439 23.619 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.057 1.878 26.533 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.244 0.167 27.056 1.00 0.00 H new ATOM 183 N ASN A 50 -0.951 4.844 23.339 1.00 0.00 N0 ATOM 184 CA ASN A 50 -1.478 5.603 24.467 1.00 0.00 C0 ATOM 185 C ASN A 50 -1.394 4.800 25.758 1.00 0.00 C0 ATOM 186 O ASN A 50 -2.187 3.885 25.985 1.00 0.00 O0 ATOM 187 CB ASN A 50 -2.909 6.033 24.199 1.00 0.00 C0 ATOM 188 CG ASN A 50 -3.455 6.930 25.276 1.00 0.00 C0 ATOM 189 OD1 ASN A 50 -2.936 6.961 26.396 1.00 0.00 O0 ATOM 190 ND2 ASN A 50 -4.491 7.661 24.955 1.00 0.00 N0 ATOM 0 H ASN A 50 -1.598 4.155 22.955 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.864 6.496 24.586 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.955 6.552 23.241 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.540 5.149 24.113 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.904 8.290 25.643 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.886 7.602 24.016 1.00 0.00 H new ATOM 197 N ALA A 51 -0.429 5.145 26.603 1.00 0.00 N0 ATOM 198 CA ALA A 51 -0.194 4.411 27.840 1.00 0.00 C0 ATOM 199 C ALA A 51 -0.976 5.015 28.998 1.00 0.00 C0 ATOM 200 O ALA A 51 -0.849 4.577 30.141 1.00 0.00 O0 ATOM 201 CB ALA A 51 1.293 4.383 28.164 1.00 0.00 C0 ATOM 0 H ALA A 51 0.204 5.930 26.453 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.544 3.389 27.695 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.453 3.831 29.090 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.833 3.895 27.353 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.659 5.403 28.281 1.00 0.00 H new ATOM 207 N GLY A 52 -1.785 6.024 28.695 1.00 0.00 N0 ATOM 208 CA GLY A 52 -2.558 6.721 29.718 1.00 0.00 C0 ATOM 209 C GLY A 52 -3.981 6.183 29.794 1.00 0.00 C0 ATOM 210 O GLY A 52 -4.307 5.174 29.168 1.00 0.00 O0 ATOM 0 H GLY A 52 -1.923 6.378 27.749 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.071 6.607 30.686 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.581 7.788 29.496 1.00 0.00 H new ATOM 214 N ASN A 53 -4.824 6.862 30.563 1.00 0.00 N0 ATOM 215 CA ASN A 53 -6.221 6.466 30.705 1.00 0.00 C0 ATOM 216 C ASN A 53 -7.134 7.362 29.879 1.00 0.00 C0 ATOM 217 O ASN A 53 -8.356 7.214 29.904 1.00 0.00 O0 ATOM 218 CB ASN A 53 -6.635 6.482 32.164 1.00 0.00 C0 ATOM 219 CG ASN A 53 -5.947 5.418 32.972 1.00 0.00 C0 ATOM 220 OD1 ASN A 53 -5.771 4.285 32.509 1.00 0.00 O0 ATOM 221 ND2 ASN A 53 -5.552 5.760 34.171 1.00 0.00 N0 ATOM 0 H ASN A 53 -4.565 7.690 31.099 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.320 5.448 30.328 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.410 7.459 32.591 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.714 6.345 32.233 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.077 5.080 34.765 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.718 6.707 34.512 1.00 0.00 H new ATOM 228 N SER A 54 -6.534 8.292 29.142 1.00 0.00 N0 ATOM 229 CA SER A 54 -7.286 9.174 28.259 1.00 0.00 C0 ATOM 230 C SER A 54 -6.461 9.573 27.042 1.00 0.00 C0 ATOM 231 O SER A 54 -5.250 9.351 27.004 1.00 0.00 O0 ATOM 232 CB SER A 54 -7.727 10.414 29.011 1.00 0.00 C0 ATOM 233 OG SER A 54 -6.626 11.211 29.354 1.00 0.00 O0 ATOM 0 H SER A 54 -5.527 8.454 29.140 1.00 0.00 H new ATOM 0 HA SER A 54 -8.164 8.630 27.912 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.420 10.989 28.397 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.266 10.124 29.913 1.00 0.00 H new ATOM 0 HG SER A 54 -6.935 12.006 29.837 1.00 0.00 H new ATOM 239 N GLU A 55 -7.121 10.163 26.052 1.00 0.00 N0 ATOM 240 CA GLU A 55 -6.454 10.566 24.821 1.00 0.00 C0 ATOM 241 C GLU A 55 -5.249 11.452 25.111 1.00 0.00 C0 ATOM 242 O GLU A 55 -5.376 12.502 25.739 1.00 0.00 O0 ATOM 243 CB GLU A 55 -7.430 11.305 23.903 1.00 0.00 C0 ATOM 244 CG GLU A 55 -6.855 11.682 22.545 1.00 0.00 C0 ATOM 245 CD GLU A 55 -7.837 12.419 21.678 1.00 0.00 C0 ATOM 246 OE1 GLU A 55 -8.935 12.650 22.121 1.00 0.00 O0 ATOM 247 OE2 GLU A 55 -7.485 12.754 20.571 1.00 0.00 O0 ATOM 0 H GLU A 55 -8.119 10.373 26.079 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.105 9.662 24.322 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.310 10.680 23.750 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.766 12.212 24.406 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.970 12.301 22.690 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.530 10.778 22.030 1.00 0.00 H new ATOM 254 N LEU A 56 -4.079 11.020 24.652 1.00 0.00 N0 ATOM 255 CA LEU A 56 -2.850 11.780 24.848 1.00 0.00 C0 ATOM 256 C LEU A 56 -2.389 12.426 23.546 1.00 0.00 C0 ATOM 257 O LEU A 56 -2.474 11.819 22.479 1.00 0.00 O0 ATOM 258 CB LEU A 56 -1.744 10.869 25.394 1.00 0.00 C0 ATOM 259 CG LEU A 56 -2.041 10.194 26.738 1.00 0.00 C0 ATOM 260 CD1 LEU A 56 -0.874 9.295 27.126 1.00 0.00 C0 ATOM 261 CD2 LEU A 56 -2.285 11.259 27.797 1.00 0.00 C0 ATOM 0 H LEU A 56 -3.956 10.146 24.141 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.057 12.570 25.570 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.541 10.093 24.656 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.832 11.457 25.498 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.936 9.578 26.655 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.086 8.816 28.082 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.732 8.532 26.361 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.033 9.893 27.214 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.496 10.780 28.753 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.399 11.886 27.893 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.135 11.875 27.504 1.00 0.00 H new ATOM 273 N ASP A 57 -1.903 13.657 23.644 1.00 0.00 N0 ATOM 274 CA ASP A 57 -1.365 14.361 22.485 1.00 0.00 C0 ATOM 275 C ASP A 57 0.155 14.424 22.535 1.00 0.00 C0 ATOM 276 O ASP A 57 0.745 14.547 23.608 1.00 0.00 O0 ATOM 277 CB ASP A 57 -1.939 15.778 22.405 1.00 0.00 C0 ATOM 278 CG ASP A 57 -3.438 15.798 22.131 1.00 0.00 C0 ATOM 279 OD1 ASP A 57 -3.936 14.837 21.600 1.00 0.00 O0 ATOM 280 OD2 ASP A 57 -4.067 16.776 22.458 1.00 0.00 O0 ATOM 0 H ASP A 57 -1.870 14.189 24.514 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.658 13.805 21.595 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.739 16.298 23.342 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.424 16.329 21.618 1.00 0.00 H new ATOM 285 N VAL A 58 0.784 14.340 21.368 1.00 0.00 N0 ATOM 286 CA VAL A 58 2.236 14.428 21.272 1.00 0.00 C0 ATOM 287 C VAL A 58 2.659 15.244 20.058 1.00 0.00 C0 ATOM 288 O VAL A 58 2.098 15.099 18.972 1.00 0.00 O0 ATOM 289 CB VAL A 58 2.852 13.020 21.180 1.00 0.00 C0 ATOM 290 CG1 VAL A 58 2.271 12.260 19.996 1.00 0.00 C0 ATOM 291 CG2 VAL A 58 4.367 13.122 21.063 1.00 0.00 C0 ATOM 0 H VAL A 58 0.310 14.211 20.474 1.00 0.00 H new ATOM 0 HA VAL A 58 2.598 14.927 22.171 1.00 0.00 H new ATOM 0 HB VAL A 58 2.609 12.469 22.088 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.718 11.267 19.946 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.192 12.167 20.118 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.487 12.801 19.075 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.795 12.122 20.998 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.626 13.686 20.167 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.766 13.632 21.940 1.00 0.00 H new ATOM 301 N SER A 59 3.653 16.107 20.249 1.00 0.00 N0 ATOM 302 CA SER A 59 4.175 16.927 19.161 1.00 0.00 C0 ATOM 303 C SER A 59 5.487 16.367 18.632 1.00 0.00 C0 ATOM 304 O SER A 59 6.531 16.492 19.270 1.00 0.00 O0 ATOM 305 CB SER A 59 4.377 18.353 19.635 1.00 0.00 C0 ATOM 306 OG SER A 59 4.937 19.142 18.622 1.00 0.00 O0 ATOM 0 H SER A 59 4.113 16.256 21.147 1.00 0.00 H new ATOM 0 HA SER A 59 3.447 16.915 18.350 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.422 18.776 19.945 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.028 18.361 20.509 1.00 0.00 H new ATOM 0 HG SER A 59 5.057 20.058 18.949 1.00 0.00 H new ATOM 312 N VAL A 60 5.430 15.749 17.455 1.00 0.00 N0 ATOM 313 CA VAL A 60 6.600 15.111 16.865 1.00 0.00 C0 ATOM 314 C VAL A 60 7.204 15.975 15.767 1.00 0.00 C0 ATOM 315 O VAL A 60 6.783 15.911 14.612 1.00 0.00 O0 ATOM 316 CB VAL A 60 6.222 13.735 16.285 1.00 0.00 C0 ATOM 317 CG1 VAL A 60 7.448 13.051 15.699 1.00 0.00 C0 ATOM 318 CG2 VAL A 60 5.588 12.874 17.367 1.00 0.00 C0 ATOM 0 H VAL A 60 4.583 15.677 16.891 1.00 0.00 H new ATOM 0 HA VAL A 60 7.341 14.983 17.654 1.00 0.00 H new ATOM 0 HB VAL A 60 5.497 13.875 15.483 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.164 12.080 15.293 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.864 13.669 14.903 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.196 12.913 16.480 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.323 11.902 16.950 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.296 12.737 18.185 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.690 13.365 17.743 1.00 0.00 H new ATOM 328 N GLY A 61 8.193 16.782 16.132 1.00 0.00 N0 ATOM 329 CA GLY A 61 8.792 17.732 15.202 1.00 0.00 C0 ATOM 330 C GLY A 61 7.809 18.837 14.838 1.00 0.00 C0 ATOM 331 O GLY A 61 7.483 19.691 15.663 1.00 0.00 O0 ATOM 0 H GLY A 61 8.598 16.797 17.068 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.686 18.168 15.648 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.109 17.211 14.299 1.00 0.00 H new ATOM 335 N SER A 62 7.336 18.818 13.595 1.00 0.00 N0 ATOM 336 CA SER A 62 6.390 19.819 13.118 1.00 0.00 C0 ATOM 337 C SER A 62 4.978 19.257 13.056 1.00 0.00 C0 ATOM 338 O SER A 62 4.018 19.990 12.808 1.00 0.00 O0 ATOM 339 CB SER A 62 6.808 20.316 11.748 1.00 0.00 C0 ATOM 340 OG SER A 62 6.752 19.283 10.801 1.00 0.00 O0 ATOM 0 H SER A 62 7.594 18.118 12.899 1.00 0.00 H new ATOM 0 HA SER A 62 6.394 20.651 13.823 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.156 21.133 11.439 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.821 20.716 11.796 1.00 0.00 H new ATOM 0 HG SER A 62 7.024 19.627 9.925 1.00 0.00 H new ATOM 346 N THR A 63 4.852 17.955 13.283 1.00 0.00 N0 ATOM 347 CA THR A 63 3.568 17.276 13.168 1.00 0.00 C0 ATOM 348 C THR A 63 3.162 16.632 14.486 1.00 0.00 C0 ATOM 349 O THR A 63 3.855 15.755 14.998 1.00 0.00 O0 ATOM 350 CB THR A 63 3.604 16.207 12.058 1.00 0.00 C0 ATOM 351 OG1 THR A 63 3.900 16.827 10.801 1.00 0.00 O0 ATOM 352 CG2 THR A 63 2.265 15.490 11.964 1.00 0.00 C0 ATOM 0 H THR A 63 5.627 17.347 13.549 1.00 0.00 H new ATOM 0 HA THR A 63 2.827 18.032 12.907 1.00 0.00 H new ATOM 0 HB THR A 63 4.378 15.479 12.301 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.924 16.145 10.098 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.309 14.739 11.175 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.044 15.005 12.915 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.481 16.212 11.734 1.00 0.00 H new ATOM 360 N SER A 64 2.032 17.075 15.032 1.00 0.00 N0 ATOM 361 CA SER A 64 1.496 16.493 16.255 1.00 0.00 C0 ATOM 362 C SER A 64 0.571 15.323 15.950 1.00 0.00 C0 ATOM 363 O SER A 64 -0.013 15.246 14.870 1.00 0.00 O0 ATOM 364 CB SER A 64 0.747 17.548 17.048 1.00 0.00 C0 ATOM 365 OG SER A 64 -0.396 17.977 16.361 1.00 0.00 O0 ATOM 0 H SER A 64 1.472 17.835 14.645 1.00 0.00 H new ATOM 0 HA SER A 64 2.333 16.121 16.846 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.461 17.143 18.019 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.402 18.398 17.238 1.00 0.00 H new ATOM 0 HG SER A 64 -0.862 18.655 16.893 1.00 0.00 H new ATOM 371 N LEU A 65 0.441 14.411 16.910 1.00 0.00 N0 ATOM 372 CA LEU A 65 -0.419 13.246 16.748 1.00 0.00 C0 ATOM 373 C LEU A 65 -1.510 13.216 17.809 1.00 0.00 C0 ATOM 374 O LEU A 65 -1.315 13.687 18.929 1.00 0.00 O0 ATOM 375 CB LEU A 65 0.411 11.959 16.824 1.00 0.00 C0 ATOM 376 CG LEU A 65 1.630 11.897 15.891 1.00 0.00 C0 ATOM 377 CD1 LEU A 65 2.389 10.600 16.136 1.00 0.00 C0 ATOM 378 CD2 LEU A 65 1.166 11.992 14.446 1.00 0.00 C0 ATOM 0 H LEU A 65 0.922 14.458 17.808 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.893 13.314 15.769 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.755 11.830 17.850 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.240 11.115 16.598 1.00 0.00 H new ATOM 0 HG LEU A 65 2.300 12.733 16.094 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.254 10.554 15.475 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.723 10.564 17.173 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.734 9.752 15.936 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.030 11.948 13.783 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.495 11.162 14.224 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.639 12.934 14.294 1.00 0.00 H new ATOM 390 N ASN A 66 -2.662 12.659 17.451 1.00 0.00 N0 ATOM 391 CA ASN A 66 -3.803 12.604 18.358 1.00 0.00 C0 ATOM 392 C ASN A 66 -4.777 11.506 17.951 1.00 0.00 C0 ATOM 393 O ASN A 66 -4.512 10.739 17.025 1.00 0.00 O0 ATOM 394 CB ASN A 66 -4.506 13.946 18.417 1.00 0.00 C0 ATOM 395 CG ASN A 66 -5.023 14.387 17.077 1.00 0.00 C0 ATOM 396 OD1 ASN A 66 -5.407 13.559 16.243 1.00 0.00 O0 ATOM 397 ND2 ASN A 66 -5.044 15.677 16.852 1.00 0.00 N0 ATOM 0 H ASN A 66 -2.831 12.238 16.537 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.427 12.367 19.353 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.336 13.886 19.121 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.816 14.697 18.801 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.387 16.034 15.960 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.717 16.325 17.569 1.00 0.00 H new ATOM 404 N ASP A 67 -5.906 11.436 18.648 1.00 0.00 N0 ATOM 405 CA ASP A 67 -6.945 10.464 18.329 1.00 0.00 C0 ATOM 406 C ASP A 67 -6.441 9.038 18.512 1.00 0.00 C0 ATOM 407 O ASP A 67 -6.653 8.179 17.656 1.00 0.00 O0 ATOM 408 CB ASP A 67 -7.434 10.657 16.890 1.00 0.00 C0 ATOM 409 CG ASP A 67 -8.782 9.997 16.632 1.00 0.00 C0 ATOM 410 OD1 ASP A 67 -9.532 9.832 17.565 1.00 0.00 O0 ATOM 411 OD2 ASP A 67 -9.051 9.665 15.503 1.00 0.00 O0 ATOM 0 H ASP A 67 -6.125 12.042 19.439 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.775 10.628 19.017 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.510 11.723 16.677 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.695 10.246 16.202 1.00 0.00 H new ATOM 416 N VAL A 68 -5.773 8.792 19.634 1.00 0.00 N0 ATOM 417 CA VAL A 68 -5.337 7.446 19.986 1.00 0.00 C0 ATOM 418 C VAL A 68 -5.994 6.973 21.278 1.00 0.00 C0 ATOM 419 O VAL A 68 -5.853 7.605 22.324 1.00 0.00 O0 ATOM 420 CB VAL A 68 -3.805 7.407 20.150 1.00 0.00 C0 ATOM 421 CG1 VAL A 68 -3.345 6.007 20.525 1.00 0.00 C0 ATOM 422 CG2 VAL A 68 -3.135 7.868 18.863 1.00 0.00 C0 ATOM 0 H VAL A 68 -5.522 9.508 20.316 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.637 6.779 19.178 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.518 8.084 20.955 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.261 5.998 20.637 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.809 5.711 21.466 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.635 5.307 19.742 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.052 7.838 18.986 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.426 7.209 18.045 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.446 8.888 18.636 1.00 0.00 H new ATOM 432 N ALA A 69 -6.712 5.858 21.195 1.00 0.00 N0 ATOM 433 CA ALA A 69 -7.478 5.354 22.330 1.00 0.00 C0 ATOM 434 C ALA A 69 -6.558 4.816 23.418 1.00 0.00 C0 ATOM 435 O ALA A 69 -5.496 4.265 23.131 1.00 0.00 O0 ATOM 436 CB ALA A 69 -8.447 4.275 21.874 1.00 0.00 C0 ATOM 0 H ALA A 69 -6.780 5.286 20.353 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.046 6.184 22.750 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.012 3.908 22.731 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.134 4.691 21.137 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.890 3.452 21.427 1.00 0.00 H new ATOM 442 N PRO A 70 -6.973 4.983 24.671 1.00 0.00 N0 ATOM 443 CA PRO A 70 -6.212 4.469 25.803 1.00 0.00 C0 ATOM 444 C PRO A 70 -5.915 2.982 25.641 1.00 0.00 C0 ATOM 445 O PRO A 70 -6.805 2.193 25.333 1.00 0.00 O0 ATOM 446 CB PRO A 70 -7.143 4.732 26.990 1.00 0.00 C0 ATOM 447 CG PRO A 70 -7.942 5.919 26.573 1.00 0.00 C0 ATOM 448 CD PRO A 70 -8.194 5.704 25.104 1.00 0.00 C0 ATOM 0 HA PRO A 70 -5.235 4.940 25.915 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.782 3.873 27.192 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.579 4.932 27.901 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.876 5.985 27.131 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.398 6.847 26.751 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.096 5.117 24.929 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.319 6.647 24.571 1.00 0.00 H new ATOM 456 N LEU A 71 -4.656 2.612 25.848 1.00 0.00 N0 ATOM 457 CA LEU A 71 -4.243 1.217 25.746 1.00 0.00 C0 ATOM 458 C LEU A 71 -4.363 0.711 24.314 1.00 0.00 C0 ATOM 459 O LEU A 71 -4.422 -0.495 24.074 1.00 0.00 O0 ATOM 460 CB LEU A 71 -5.094 0.343 26.676 1.00 0.00 C0 ATOM 461 CG LEU A 71 -5.129 0.775 28.148 1.00 0.00 C0 ATOM 462 CD1 LEU A 71 -6.020 -0.175 28.935 1.00 0.00 C0 ATOM 463 CD2 LEU A 71 -3.714 0.788 28.708 1.00 0.00 C0 ATOM 0 H LEU A 71 -3.904 3.258 26.087 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.197 1.155 26.047 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.116 0.328 26.296 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.721 -0.680 26.625 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.541 1.781 28.231 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.045 0.132 29.981 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.030 -0.150 28.525 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.624 -1.188 28.863 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.739 1.095 29.754 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.284 -0.211 28.633 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.104 1.489 28.139 1.00 0.00 H new ATOM 475 N GLY A 72 -4.397 1.640 23.365 1.00 0.00 N0 ATOM 476 CA GLY A 72 -4.376 1.291 21.949 1.00 0.00 C0 ATOM 477 C GLY A 72 -3.278 2.047 21.212 1.00 0.00 C0 ATOM 478 O GLY A 72 -2.399 2.644 21.833 1.00 0.00 O0 ATOM 0 H GLY A 72 -4.439 2.642 23.551 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.220 0.218 21.838 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.343 1.520 21.501 1.00 0.00 H new ATOM 482 N SER A 73 -3.336 2.016 19.886 1.00 0.00 N0 ATOM 483 CA SER A 73 -2.335 2.684 19.060 1.00 0.00 C0 ATOM 484 C SER A 73 -2.893 3.023 17.684 1.00 0.00 C0 ATOM 485 O SER A 73 -3.938 2.509 17.285 1.00 0.00 O0 ATOM 486 CB SER A 73 -1.108 1.804 18.915 1.00 0.00 C0 ATOM 487 OG SER A 73 -1.393 0.669 18.147 1.00 0.00 O0 ATOM 0 H SER A 73 -4.065 1.536 19.359 1.00 0.00 H new ATOM 0 HA SER A 73 -2.057 3.615 19.555 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.303 2.371 18.448 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.755 1.501 19.901 1.00 0.00 H new ATOM 0 HG SER A 73 -0.822 -0.073 18.436 1.00 0.00 H new ATOM 493 N SER A 74 -2.192 3.891 16.965 1.00 0.00 N0 ATOM 494 CA SER A 74 -2.583 4.254 15.607 1.00 0.00 C0 ATOM 495 C SER A 74 -1.366 4.606 14.760 1.00 0.00 C0 ATOM 496 O SER A 74 -0.411 5.207 15.249 1.00 0.00 O0 ATOM 497 CB SER A 74 -3.545 5.426 15.637 1.00 0.00 C0 ATOM 498 OG SER A 74 -3.921 5.798 14.339 1.00 0.00 O0 ATOM 0 H SER A 74 -1.349 4.358 17.299 1.00 0.00 H new ATOM 0 HA SER A 74 -3.076 3.393 15.157 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.431 5.160 16.214 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.078 6.272 16.141 1.00 0.00 H new ATOM 0 HG SER A 74 -4.543 6.554 14.383 1.00 0.00 H new ATOM 504 N ASP A 75 -1.410 4.227 13.487 1.00 0.00 N0 ATOM 505 CA ASP A 75 -0.297 4.472 12.577 1.00 0.00 C0 ATOM 506 C ASP A 75 -0.481 5.784 11.826 1.00 0.00 C0 ATOM 507 O ASP A 75 -1.585 6.109 11.384 1.00 0.00 O0 ATOM 508 CB ASP A 75 -0.157 3.320 11.578 1.00 0.00 C0 ATOM 509 CG ASP A 75 0.271 2.016 12.233 1.00 0.00 C0 ATOM 510 OD1 ASP A 75 0.749 2.059 13.342 1.00 0.00 O0 ATOM 511 OD2 ASP A 75 0.121 0.987 11.619 1.00 0.00 O0 ATOM 0 H ASP A 75 -2.205 3.749 13.062 1.00 0.00 H new ATOM 0 HA ASP A 75 0.612 4.539 13.175 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.109 3.170 11.069 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.572 3.594 10.815 1.00 0.00 H new ATOM 516 N PHE A 76 0.607 6.535 11.682 1.00 0.00 N0 ATOM 517 CA PHE A 76 0.562 7.826 11.008 1.00 0.00 C0 ATOM 518 C PHE A 76 1.646 7.931 9.943 1.00 0.00 C0 ATOM 519 O PHE A 76 2.618 7.176 9.956 1.00 0.00 O0 ATOM 520 CB PHE A 76 0.724 8.963 12.021 1.00 0.00 C0 ATOM 521 CG PHE A 76 -0.357 9.004 13.061 1.00 0.00 C0 ATOM 522 CD1 PHE A 76 -0.202 8.340 14.270 1.00 0.00 C0 ATOM 523 CD2 PHE A 76 -1.533 9.705 12.838 1.00 0.00 C0 ATOM 524 CE1 PHE A 76 -1.197 8.377 15.230 1.00 0.00 C0 ATOM 525 CE2 PHE A 76 -2.526 9.747 13.795 1.00 0.00 C0 ATOM 526 CZ PHE A 76 -2.359 9.079 14.993 1.00 0.00 C0 ATOM 0 H PHE A 76 1.531 6.270 12.024 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.410 7.911 10.521 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.689 8.861 12.517 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.739 9.913 11.488 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.706 7.788 14.463 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.673 10.225 11.902 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.063 7.855 16.166 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.434 10.302 13.608 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.137 9.107 15.742 1.00 0.00 H new ATOM 536 N LYS A 77 1.474 8.872 9.022 1.00 0.00 N0 ATOM 537 CA LYS A 77 2.426 9.061 7.933 1.00 0.00 C0 ATOM 538 C LYS A 77 2.330 10.466 7.354 1.00 0.00 C0 ATOM 539 O LYS A 77 1.887 11.396 8.028 1.00 0.00 O0 ATOM 540 CB LYS A 77 2.193 8.023 6.833 1.00 0.00 C0 ATOM 541 CG LYS A 77 0.834 8.115 6.157 1.00 0.00 C0 ATOM 542 CD LYS A 77 0.625 6.974 5.174 1.00 0.00 C0 ATOM 543 CE LYS A 77 -0.723 7.081 4.475 1.00 0.00 C0 ATOM 544 NZ LYS A 77 -0.970 5.932 3.563 1.00 0.00 N0 ATOM 0 H LYS A 77 0.684 9.517 9.007 1.00 0.00 H new ATOM 0 HA LYS A 77 3.428 8.928 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.969 8.134 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.305 7.027 7.261 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.048 8.095 6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.750 9.068 5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.423 6.981 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.688 6.022 5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.516 7.128 5.222 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.764 8.010 3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.898 6.044 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.228 5.901 2.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.957 5.047 4.109 1.00 0.00 H new ATOM 558 N PHE A 78 2.744 10.616 6.102 1.00 0.00 N0 ATOM 559 CA PHE A 78 2.840 11.930 5.476 1.00 0.00 C0 ATOM 560 C PHE A 78 3.951 12.760 6.108 1.00 0.00 C0 ATOM 561 O PHE A 78 3.847 13.984 6.204 1.00 0.00 O0 ATOM 562 CB PHE A 78 1.510 12.675 5.593 1.00 0.00 C0 ATOM 563 CG PHE A 78 0.335 11.904 5.064 1.00 0.00 C0 ATOM 564 CD1 PHE A 78 -0.682 11.492 5.914 1.00 0.00 C0 ATOM 565 CD2 PHE A 78 0.244 11.585 3.717 1.00 0.00 C0 ATOM 566 CE1 PHE A 78 -1.764 10.783 5.430 1.00 0.00 C0 ATOM 567 CE2 PHE A 78 -0.837 10.877 3.229 1.00 0.00 C0 ATOM 568 CZ PHE A 78 -1.843 10.474 4.085 1.00 0.00 C0 ATOM 0 H PHE A 78 3.020 9.842 5.498 1.00 0.00 H new ATOM 0 HA PHE A 78 3.077 11.780 4.423 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.331 12.918 6.640 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.585 13.620 5.055 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.627 11.729 6.966 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.028 11.894 3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.549 10.470 6.103 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.896 10.638 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.688 9.919 3.705 1.00 0.00 H new ATOM 578 N LEU A 79 5.014 12.088 6.538 1.00 0.00 N0 ATOM 579 CA LEU A 79 6.111 12.752 7.232 1.00 0.00 C0 ATOM 580 C LEU A 79 7.460 12.289 6.700 1.00 0.00 C0 ATOM 581 O LEU A 79 7.812 11.114 6.814 1.00 0.00 O0 ATOM 582 CB LEU A 79 6.028 12.479 8.740 1.00 0.00 C0 ATOM 583 CG LEU A 79 7.129 13.121 9.594 1.00 0.00 C0 ATOM 584 CD1 LEU A 79 6.989 14.636 9.548 1.00 0.00 C0 ATOM 585 CD2 LEU A 79 7.029 12.603 11.022 1.00 0.00 C0 ATOM 0 H LEU A 79 5.139 11.083 6.418 1.00 0.00 H new ATOM 0 HA LEU A 79 6.020 13.823 7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.062 12.831 9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.054 11.401 8.897 1.00 0.00 H new ATOM 0 HG LEU A 79 8.110 12.856 9.200 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.771 15.092 10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.083 14.979 8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.013 14.923 9.939 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.811 13.058 11.630 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.053 12.859 11.434 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.151 11.520 11.026 1.00 0.00 H new ATOM 597 N PRO A 80 8.211 13.218 6.118 1.00 0.00 N0 ATOM 598 CA PRO A 80 9.530 12.907 5.577 1.00 0.00 C0 ATOM 599 C PRO A 80 10.396 12.195 6.607 1.00 0.00 C0 ATOM 600 O PRO A 80 10.465 12.609 7.765 1.00 0.00 O0 ATOM 601 CB PRO A 80 10.090 14.288 5.224 1.00 0.00 C0 ATOM 602 CG PRO A 80 8.885 15.097 4.884 1.00 0.00 C0 ATOM 603 CD PRO A 80 7.841 14.645 5.871 1.00 0.00 C0 ATOM 0 HA PRO A 80 9.498 12.230 4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.637 14.721 6.061 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.783 14.234 4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.084 16.165 4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.564 14.920 3.857 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.870 15.234 6.788 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.834 14.737 5.464 1.00 0.00 H new ATOM 611 N PRO A 81 11.055 11.123 6.181 1.00 0.00 N0 ATOM 612 CA PRO A 81 11.923 10.355 7.064 1.00 0.00 C0 ATOM 613 C PRO A 81 12.984 11.242 7.702 1.00 0.00 C0 ATOM 614 O PRO A 81 13.438 12.215 7.100 1.00 0.00 O0 ATOM 615 CB PRO A 81 12.547 9.320 6.122 1.00 0.00 C0 ATOM 616 CG PRO A 81 11.526 9.142 5.050 1.00 0.00 C0 ATOM 617 CD PRO A 81 10.964 10.523 4.836 1.00 0.00 C0 ATOM 0 HA PRO A 81 11.392 9.902 7.901 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.495 9.672 5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.750 8.382 6.639 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.973 8.749 4.137 1.00 0.00 H new ATOM 0 HG3 PRO A 81 10.750 8.439 5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.541 11.086 4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 81 9.936 10.490 4.476 1.00 0.00 H new ATOM 625 N GLY A 82 13.374 10.903 8.926 1.00 0.00 N0 ATOM 626 CA GLY A 82 14.344 11.699 9.670 1.00 0.00 C0 ATOM 627 C GLY A 82 14.103 11.599 11.172 1.00 0.00 C0 ATOM 628 O GLY A 82 13.283 10.802 11.626 1.00 0.00 O0 ATOM 0 H GLY A 82 13.033 10.081 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.353 11.358 9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.280 12.741 9.357 1.00 0.00 H new ATOM 632 N SER A 83 14.822 12.414 11.937 1.00 0.00 N0 ATOM 633 CA SER A 83 14.686 12.422 13.387 1.00 0.00 C0 ATOM 634 C SER A 83 13.881 13.625 13.858 1.00 0.00 C0 ATOM 635 O SER A 83 14.217 14.767 13.550 1.00 0.00 O0 ATOM 636 CB SER A 83 16.056 12.429 14.040 1.00 0.00 C0 ATOM 637 OG SER A 83 15.947 12.557 15.431 1.00 0.00 O0 ATOM 0 H SER A 83 15.506 13.078 11.575 1.00 0.00 H new ATOM 0 HA SER A 83 14.151 11.518 13.680 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.584 11.507 13.796 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.649 13.252 13.641 1.00 0.00 H new ATOM 0 HG SER A 83 16.842 12.558 15.831 1.00 0.00 H new ATOM 643 N TYR A 84 12.817 13.360 14.609 1.00 0.00 N0 ATOM 644 CA TYR A 84 11.959 14.421 15.124 1.00 0.00 C0 ATOM 645 C TYR A 84 11.776 14.300 16.631 1.00 0.00 C0 ATOM 646 O TYR A 84 11.640 13.197 17.162 1.00 0.00 O0 ATOM 647 CB TYR A 84 10.600 14.402 14.420 1.00 0.00 C0 ATOM 648 CG TYR A 84 10.687 14.562 12.919 1.00 0.00 C0 ATOM 649 CD1 TYR A 84 10.748 13.441 12.105 1.00 0.00 C0 ATOM 650 CD2 TYR A 84 10.704 15.830 12.358 1.00 0.00 C0 ATOM 651 CE1 TYR A 84 10.827 13.589 10.734 1.00 0.00 C0 ATOM 652 CE2 TYR A 84 10.782 15.977 10.987 1.00 0.00 C0 ATOM 653 CZ TYR A 84 10.843 14.863 10.175 1.00 0.00 C0 ATOM 654 OH TYR A 84 10.922 15.008 8.809 1.00 0.00 O0 ATOM 0 H TYR A 84 12.528 12.419 14.875 1.00 0.00 H new ATOM 0 HA TYR A 84 12.447 15.374 14.919 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.097 13.462 14.647 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.980 15.201 14.826 1.00 0.00 H new ATOM 0 HD1 TYR A 84 10.734 12.454 12.542 1.00 0.00 H new ATOM 0 HD2 TYR A 84 10.656 16.702 12.993 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.876 12.718 10.097 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.795 16.965 10.550 1.00 0.00 H new ATOM 0 HH TYR A 84 10.496 14.240 8.373 1.00 0.00 H new ATOM 664 N THR A 85 11.776 15.440 17.315 1.00 0.00 N0 ATOM 665 CA THR A 85 11.622 15.461 18.765 1.00 0.00 C0 ATOM 666 C THR A 85 10.160 15.322 19.165 1.00 0.00 C0 ATOM 667 O THR A 85 9.332 16.170 18.837 1.00 0.00 O0 ATOM 668 CB THR A 85 12.202 16.757 19.364 1.00 0.00 C0 ATOM 669 OG1 THR A 85 13.594 16.857 19.037 1.00 0.00 O0 ATOM 670 CG2 THR A 85 12.038 16.765 20.876 1.00 0.00 C0 ATOM 0 H THR A 85 11.881 16.361 16.888 1.00 0.00 H new ATOM 0 HA THR A 85 12.176 14.610 19.162 1.00 0.00 H new ATOM 0 HB THR A 85 11.662 17.606 18.946 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.961 17.682 19.417 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.453 17.687 21.282 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.979 16.702 21.127 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.564 15.911 21.304 1.00 0.00 H new ATOM 678 N ALA A 86 9.847 14.244 19.878 1.00 0.00 N0 ATOM 679 CA ALA A 86 8.485 13.994 20.332 1.00 0.00 C0 ATOM 680 C ALA A 86 8.255 14.566 21.725 1.00 0.00 C0 ATOM 681 O ALA A 86 8.767 14.043 22.713 1.00 0.00 O0 ATOM 682 CB ALA A 86 8.186 12.501 20.317 1.00 0.00 C0 ATOM 0 H ALA A 86 10.520 13.529 20.154 1.00 0.00 H new ATOM 0 HA ALA A 86 7.804 14.496 19.645 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.165 12.331 20.659 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.298 12.118 19.303 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.881 11.984 20.979 1.00 0.00 H new ATOM 688 N GLN A 87 7.480 15.644 21.797 1.00 0.00 N0 ATOM 689 CA GLN A 87 7.175 16.286 23.069 1.00 0.00 C0 ATOM 690 C GLN A 87 5.989 15.620 23.753 1.00 0.00 C0 ATOM 691 O GLN A 87 4.862 15.676 23.256 1.00 0.00 O0 ATOM 692 CB GLN A 87 6.890 17.776 22.864 1.00 0.00 C0 ATOM 693 CG GLN A 87 6.614 18.540 24.147 1.00 0.00 C0 ATOM 694 CD GLN A 87 7.847 18.666 25.023 1.00 0.00 C0 ATOM 695 OE1 GLN A 87 8.950 18.925 24.533 1.00 0.00 O0 ATOM 696 NE2 GLN A 87 7.668 18.483 26.325 1.00 0.00 N0 ATOM 0 H GLN A 87 7.051 16.091 20.987 1.00 0.00 H new ATOM 0 HA GLN A 87 8.048 16.176 23.713 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.742 18.231 22.360 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.032 17.882 22.200 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.243 19.535 23.901 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.826 18.035 24.705 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.738 18.271 26.687 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.460 18.555 26.964 1.00 0.00 H new ATOM 705 N VAL A 88 6.247 14.986 24.893 1.00 0.00 N0 ATOM 706 CA VAL A 88 5.195 14.328 25.658 1.00 0.00 C0 ATOM 707 C VAL A 88 5.121 14.876 27.079 1.00 0.00 C0 ATOM 708 O VAL A 88 5.948 14.542 27.926 1.00 0.00 O0 ATOM 709 CB VAL A 88 5.443 12.809 25.710 1.00 0.00 C0 ATOM 710 CG1 VAL A 88 4.364 12.123 26.537 1.00 0.00 C0 ATOM 711 CG2 VAL A 88 5.483 12.243 24.299 1.00 0.00 C0 ATOM 0 H VAL A 88 7.176 14.914 25.307 1.00 0.00 H new ATOM 0 HA VAL A 88 4.248 14.527 25.157 1.00 0.00 H new ATOM 0 HB VAL A 88 6.405 12.622 26.187 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.553 11.050 26.564 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.377 12.519 27.552 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.388 12.308 26.087 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.659 11.168 24.343 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.532 12.435 23.803 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.287 12.720 23.738 1.00 0.00 H new ATOM 721 N GLY A 89 4.130 15.724 27.329 1.00 0.00 N0 ATOM 722 CA GLY A 89 3.989 16.379 28.625 1.00 0.00 C0 ATOM 723 C GLY A 89 5.149 17.329 28.889 1.00 0.00 C0 ATOM 724 O GLY A 89 5.358 18.290 28.147 1.00 0.00 O0 ATOM 0 H GLY A 89 3.411 15.975 26.650 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.049 16.930 28.657 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.944 15.627 29.413 1.00 0.00 H new ATOM 728 N GLN A 90 5.899 17.058 29.951 1.00 0.00 N0 ATOM 729 CA GLN A 90 7.073 17.857 30.284 1.00 0.00 C0 ATOM 730 C GLN A 90 8.352 17.190 29.791 1.00 0.00 C0 ATOM 731 O GLN A 90 9.448 17.720 29.972 1.00 0.00 O0 ATOM 732 CB GLN A 90 7.152 18.088 31.796 1.00 0.00 C0 ATOM 733 CG GLN A 90 5.969 18.848 32.371 1.00 0.00 C0 ATOM 734 CD GLN A 90 5.831 20.237 31.781 1.00 0.00 C0 ATOM 735 OE1 GLN A 90 6.790 21.014 31.753 1.00 0.00 O0 ATOM 736 NE2 GLN A 90 4.633 20.561 31.303 1.00 0.00 N0 ATOM 0 H GLN A 90 5.715 16.290 30.597 1.00 0.00 H new ATOM 0 HA GLN A 90 6.974 18.819 29.782 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.228 17.123 32.297 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.067 18.637 32.021 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.054 18.285 32.185 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.082 18.925 33.452 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.868 19.888 31.346 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.480 21.482 30.893 1.00 0.00 H new ATOM 745 N GLN A 91 8.202 16.025 29.170 1.00 0.00 N0 ATOM 746 CA GLN A 91 9.349 15.268 28.679 1.00 0.00 C0 ATOM 747 C GLN A 91 9.412 15.294 27.157 1.00 0.00 C0 ATOM 748 O GLN A 91 8.463 15.709 26.494 1.00 0.00 O0 ATOM 749 CB GLN A 91 9.289 13.823 29.175 1.00 0.00 C0 ATOM 750 CG GLN A 91 9.285 13.682 30.688 1.00 0.00 C0 ATOM 751 CD GLN A 91 10.581 14.156 31.317 1.00 0.00 C0 ATOM 752 OE1 GLN A 91 11.669 13.718 30.936 1.00 0.00 O0 ATOM 753 NE2 GLN A 91 10.472 15.059 32.287 1.00 0.00 N0 ATOM 0 H GLN A 91 7.299 15.584 28.995 1.00 0.00 H new ATOM 0 HA GLN A 91 10.251 15.739 29.068 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.392 13.351 28.775 1.00 0.00 H new ATOM 0 HB3 GLN A 91 10.143 13.277 28.773 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.454 14.253 31.101 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.117 12.638 30.952 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.551 15.394 32.571 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.309 15.417 32.747 1.00 0.00 H new ATOM 762 N SER A 92 10.537 14.846 26.610 1.00 0.00 N0 ATOM 763 CA SER A 92 10.707 14.771 25.165 1.00 0.00 C0 ATOM 764 C SER A 92 11.627 13.620 24.776 1.00 0.00 C0 ATOM 765 O SER A 92 12.477 13.201 25.561 1.00 0.00 O0 ATOM 766 CB SER A 92 11.270 16.078 24.635 1.00 0.00 C0 ATOM 767 OG SER A 92 12.572 16.291 25.106 1.00 0.00 O0 ATOM 0 H SER A 92 11.345 14.529 27.147 1.00 0.00 H new ATOM 0 HA SER A 92 9.727 14.592 24.722 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.272 16.062 23.545 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.629 16.905 24.941 1.00 0.00 H new ATOM 0 HG SER A 92 12.914 17.138 24.750 1.00 0.00 H new ATOM 773 N LEU A 93 11.450 13.109 23.562 1.00 0.00 N0 ATOM 774 CA LEU A 93 12.251 11.995 23.074 1.00 0.00 C0 ATOM 775 C LEU A 93 12.383 12.032 21.556 1.00 0.00 C0 ATOM 776 O LEU A 93 11.396 11.880 20.837 1.00 0.00 O0 ATOM 777 CB LEU A 93 11.624 10.662 23.508 1.00 0.00 C0 ATOM 778 CG LEU A 93 12.368 9.400 23.056 1.00 0.00 C0 ATOM 779 CD1 LEU A 93 13.735 9.347 23.726 1.00 0.00 C0 ATOM 780 CD2 LEU A 93 11.543 8.170 23.406 1.00 0.00 C0 ATOM 0 H LEU A 93 10.756 13.451 22.897 1.00 0.00 H new ATOM 0 HA LEU A 93 13.248 12.085 23.506 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.555 10.651 24.596 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.605 10.618 23.123 1.00 0.00 H new ATOM 0 HG LEU A 93 12.514 9.422 21.976 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.263 8.450 23.404 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.312 10.228 23.445 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.609 9.325 24.808 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.072 7.273 23.084 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.386 8.132 24.484 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.579 8.223 22.901 1.00 0.00 H new ATOM 792 N PRO A 94 13.605 12.231 21.080 1.00 0.00 N0 ATOM 793 CA PRO A 94 13.887 12.176 19.649 1.00 0.00 C0 ATOM 794 C PRO A 94 13.481 10.831 19.061 1.00 0.00 C0 ATOM 795 O PRO A 94 13.822 9.778 19.600 1.00 0.00 O0 ATOM 796 CB PRO A 94 15.405 12.386 19.589 1.00 0.00 C0 ATOM 797 CG PRO A 94 15.721 13.126 20.845 1.00 0.00 C0 ATOM 798 CD PRO A 94 14.802 12.525 21.875 1.00 0.00 C0 ATOM 0 HA PRO A 94 13.334 12.915 19.070 1.00 0.00 H new ATOM 0 HB2 PRO A 94 15.937 11.436 19.542 1.00 0.00 H new ATOM 0 HB3 PRO A 94 15.694 12.957 18.707 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.767 13.003 21.126 1.00 0.00 H new ATOM 0 HG3 PRO A 94 15.545 14.196 20.731 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.225 11.626 22.324 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.591 13.219 22.689 1.00 0.00 H new ATOM 806 N VAL A 95 12.753 10.873 17.950 1.00 0.00 N0 ATOM 807 CA VAL A 95 12.320 9.657 17.272 1.00 0.00 C0 ATOM 808 C VAL A 95 12.779 9.642 15.821 1.00 0.00 C0 ATOM 809 O VAL A 95 12.402 10.507 15.030 1.00 0.00 O0 ATOM 810 CB VAL A 95 10.785 9.535 17.324 1.00 0.00 C0 ATOM 811 CG1 VAL A 95 10.321 8.306 16.556 1.00 0.00 C0 ATOM 812 CG2 VAL A 95 10.318 9.475 18.770 1.00 0.00 C0 ATOM 0 H VAL A 95 12.450 11.737 17.500 1.00 0.00 H new ATOM 0 HA VAL A 95 12.772 8.810 17.789 1.00 0.00 H new ATOM 0 HB VAL A 95 10.345 10.414 16.852 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.234 8.236 16.604 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.634 8.388 15.515 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.762 7.413 16.998 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.232 9.389 18.798 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.764 8.610 19.261 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.623 10.384 19.289 1.00 0.00 H new ATOM 822 N LYS A 96 13.597 8.654 15.473 1.00 0.00 N0 ATOM 823 CA LYS A 96 13.980 8.427 14.086 1.00 0.00 C0 ATOM 824 C LYS A 96 12.962 7.550 13.369 1.00 0.00 C0 ATOM 825 O LYS A 96 12.658 6.444 13.813 1.00 0.00 O0 ATOM 826 CB LYS A 96 15.368 7.788 14.012 1.00 0.00 C0 ATOM 827 CG LYS A 96 15.877 7.553 12.596 1.00 0.00 C0 ATOM 828 CD LYS A 96 17.298 7.011 12.602 1.00 0.00 C0 ATOM 829 CE LYS A 96 17.840 6.857 11.189 1.00 0.00 C0 ATOM 830 NZ LYS A 96 17.204 5.721 10.469 1.00 0.00 N0 ATOM 0 H LYS A 96 14.008 7.996 16.136 1.00 0.00 H new ATOM 0 HA LYS A 96 14.008 9.395 13.586 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.077 8.426 14.539 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.344 6.835 14.540 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.220 6.851 12.083 1.00 0.00 H new ATOM 0 HG3 LYS A 96 15.844 8.487 12.036 1.00 0.00 H new ATOM 0 HD2 LYS A 96 17.943 7.682 13.169 1.00 0.00 H new ATOM 0 HD3 LYS A 96 17.319 6.046 13.108 1.00 0.00 H new ATOM 0 HE2 LYS A 96 17.670 7.779 10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 96 18.918 6.703 11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.764 5.489 9.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.163 4.892 11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.240 5.987 10.183 1.00 0.00 H new ATOM 844 N LEU A 97 12.436 8.053 12.256 1.00 0.00 N0 ATOM 845 CA LEU A 97 11.425 7.332 11.494 1.00 0.00 C0 ATOM 846 C LEU A 97 11.916 7.020 10.085 1.00 0.00 C0 ATOM 847 O LEU A 97 12.551 7.854 9.439 1.00 0.00 O0 ATOM 848 CB LEU A 97 10.132 8.152 11.420 1.00 0.00 C0 ATOM 849 CG LEU A 97 9.479 8.486 12.768 1.00 0.00 C0 ATOM 850 CD1 LEU A 97 8.306 9.433 12.544 1.00 0.00 C0 ATOM 851 CD2 LEU A 97 9.024 7.203 13.445 1.00 0.00 C0 ATOM 0 H LEU A 97 12.694 8.958 11.863 1.00 0.00 H new ATOM 0 HA LEU A 97 11.228 6.391 12.007 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.345 9.085 10.899 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.411 7.605 10.813 1.00 0.00 H new ATOM 0 HG LEU A 97 10.201 8.980 13.419 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.842 9.670 13.501 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.663 10.351 12.077 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.573 8.956 11.894 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.560 7.441 14.402 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.301 6.693 12.809 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.884 6.554 13.610 1.00 0.00 H new ATOM 863 N ASP A 98 11.616 5.815 9.614 1.00 0.00 N0 ATOM 864 CA ASP A 98 12.085 5.365 8.309 1.00 0.00 C0 ATOM 865 C ASP A 98 10.924 5.151 7.347 1.00 0.00 C0 ATOM 866 O ASP A 98 9.789 4.915 7.770 1.00 0.00 O0 ATOM 867 CB ASP A 98 12.888 4.067 8.446 1.00 0.00 C0 ATOM 868 CG ASP A 98 14.139 4.232 9.295 1.00 0.00 C0 ATOM 869 OD1 ASP A 98 14.708 5.297 9.282 1.00 0.00 O0 ATOM 870 OD2 ASP A 98 14.516 3.288 9.951 1.00 0.00 O0 ATOM 0 H ASP A 98 11.050 5.132 10.117 1.00 0.00 H new ATOM 0 HA ASP A 98 12.729 6.145 7.903 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.254 3.298 8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.172 3.715 7.454 1.00 0.00 H new ATOM 875 N PRO A 99 11.207 5.234 6.052 1.00 0.00 N0 ATOM 876 CA PRO A 99 10.180 5.086 5.032 1.00 0.00 C0 ATOM 877 C PRO A 99 9.858 3.618 4.783 1.00 0.00 C0 ATOM 878 O PRO A 99 8.801 3.285 4.247 1.00 0.00 O0 ATOM 879 CB PRO A 99 10.819 5.740 3.801 1.00 0.00 C0 ATOM 880 CG PRO A 99 12.276 5.472 3.961 1.00 0.00 C0 ATOM 881 CD PRO A 99 12.520 5.599 5.442 1.00 0.00 C0 ATOM 0 HA PRO A 99 9.229 5.541 5.309 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.434 5.310 2.876 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.612 6.810 3.766 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.539 4.478 3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.876 6.186 3.397 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.315 4.932 5.775 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.819 6.612 5.713 1.00 0.00 H new ATOM 889 N ASP A 100 10.778 2.742 5.172 1.00 0.00 N0 ATOM 890 CA ASP A 100 10.657 1.320 4.876 1.00 0.00 C0 ATOM 891 C ASP A 100 9.974 0.576 6.017 1.00 0.00 C0 ATOM 892 O ASP A 100 9.289 -0.422 5.797 1.00 0.00 O0 ATOM 893 CB ASP A 100 12.035 0.706 4.612 1.00 0.00 C0 ATOM 894 CG ASP A 100 12.716 1.289 3.381 1.00 0.00 C0 ATOM 895 OD1 ASP A 100 12.140 1.218 2.321 1.00 0.00 O0 ATOM 896 OD2 ASP A 100 13.804 1.797 3.513 1.00 0.00 O0 ATOM 0 H ASP A 100 11.617 2.993 5.694 1.00 0.00 H new ATOM 0 HA ASP A 100 10.043 1.221 3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.671 0.865 5.483 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.929 -0.372 4.487 1.00 0.00 H new ATOM 901 N SER A 101 10.164 1.070 7.235 1.00 0.00 N0 ATOM 902 CA SER A 101 9.596 0.431 8.418 1.00 0.00 C0 ATOM 903 C SER A 101 8.778 1.419 9.236 1.00 0.00 C0 ATOM 904 O SER A 101 8.332 2.447 8.723 1.00 0.00 O0 ATOM 905 CB SER A 101 10.699 -0.159 9.274 1.00 0.00 C0 ATOM 906 OG SER A 101 10.167 -0.942 10.307 1.00 0.00 O0 ATOM 0 H SER A 101 10.707 1.911 7.430 1.00 0.00 H new ATOM 0 HA SER A 101 8.933 -0.367 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 101 11.359 -0.767 8.655 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.306 0.643 9.696 1.00 0.00 H new ATOM 0 HG SER A 101 10.897 -1.314 10.845 1.00 0.00 H new ATOM 912 N TYR A 102 8.582 1.105 10.513 1.00 0.00 N0 ATOM 913 CA TYR A 102 7.888 2.006 11.426 1.00 0.00 C0 ATOM 914 C TYR A 102 8.403 1.850 12.851 1.00 0.00 C0 ATOM 915 O TYR A 102 8.994 0.826 13.200 1.00 0.00 O0 ATOM 916 CB TYR A 102 6.379 1.757 11.378 1.00 0.00 C0 ATOM 917 CG TYR A 102 5.959 0.429 11.971 1.00 0.00 C0 ATOM 918 CD1 TYR A 102 5.572 0.355 13.301 1.00 0.00 C0 ATOM 919 CD2 TYR A 102 5.962 -0.713 11.183 1.00 0.00 C0 ATOM 920 CE1 TYR A 102 5.191 -0.858 13.842 1.00 0.00 C0 ATOM 921 CE2 TYR A 102 5.580 -1.926 11.725 1.00 0.00 C0 ATOM 922 CZ TYR A 102 5.195 -2.000 13.048 1.00 0.00 C0 ATOM 923 OH TYR A 102 4.813 -3.208 13.586 1.00 0.00 O0 ATOM 0 H TYR A 102 8.894 0.232 10.939 1.00 0.00 H new ATOM 0 HA TYR A 102 8.087 3.028 11.104 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.871 2.560 11.912 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.046 1.803 10.341 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.568 1.245 13.913 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.262 -0.654 10.147 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.891 -0.919 14.878 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.583 -2.816 11.113 1.00 0.00 H new ATOM 0 HH TYR A 102 4.871 -3.905 12.899 1.00 0.00 H new ATOM 933 N TYR A 103 8.178 2.869 13.671 1.00 0.00 N0 ATOM 934 CA TYR A 103 8.573 2.827 15.075 1.00 0.00 C0 ATOM 935 C TYR A 103 7.398 3.154 15.988 1.00 0.00 C0 ATOM 936 O TYR A 103 6.583 4.020 15.677 1.00 0.00 O0 ATOM 937 CB TYR A 103 9.732 3.791 15.333 1.00 0.00 C0 ATOM 938 CG TYR A 103 10.995 3.447 14.574 1.00 0.00 C0 ATOM 939 CD1 TYR A 103 11.132 3.827 13.246 1.00 0.00 C0 ATOM 940 CD2 TYR A 103 12.016 2.752 15.207 1.00 0.00 C0 ATOM 941 CE1 TYR A 103 12.285 3.512 12.554 1.00 0.00 C0 ATOM 942 CE2 TYR A 103 13.169 2.438 14.514 1.00 0.00 C0 ATOM 943 CZ TYR A 103 13.303 2.815 13.194 1.00 0.00 C0 ATOM 944 OH TYR A 103 14.452 2.502 12.504 1.00 0.00 O0 ATOM 0 H TYR A 103 7.723 3.737 13.388 1.00 0.00 H new ATOM 0 HA TYR A 103 8.903 1.813 15.300 1.00 0.00 H new ATOM 0 HB2 TYR A 103 9.420 4.800 15.062 1.00 0.00 H new ATOM 0 HB3 TYR A 103 9.953 3.801 16.400 1.00 0.00 H new ATOM 0 HD1 TYR A 103 10.338 4.369 12.754 1.00 0.00 H new ATOM 0 HD2 TYR A 103 11.909 2.457 16.240 1.00 0.00 H new ATOM 0 HE1 TYR A 103 12.395 3.806 11.521 1.00 0.00 H new ATOM 0 HE2 TYR A 103 13.965 1.898 15.005 1.00 0.00 H new ATOM 0 HH TYR A 103 14.268 2.511 11.541 1.00 0.00 H new ATOM 954 N THR A 104 7.320 2.457 17.116 1.00 0.00 N0 ATOM 955 CA THR A 104 6.206 2.621 18.043 1.00 0.00 C0 ATOM 956 C THR A 104 6.607 3.475 19.238 1.00 0.00 C0 ATOM 957 O THR A 104 7.501 3.110 20.001 1.00 0.00 O0 ATOM 958 CB THR A 104 5.686 1.256 18.532 1.00 0.00 C0 ATOM 959 OG1 THR A 104 5.216 0.493 17.414 1.00 0.00 O0 ATOM 960 CG2 THR A 104 4.553 1.444 19.527 1.00 0.00 C0 ATOM 0 H THR A 104 8.016 1.772 17.411 1.00 0.00 H new ATOM 0 HA THR A 104 5.407 3.128 17.502 1.00 0.00 H new ATOM 0 HB THR A 104 6.502 0.727 19.023 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.750 -0.307 17.736 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.198 0.470 19.862 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.912 2.014 20.384 1.00 0.00 H new ATOM 0 HG23 THR A 104 3.735 1.984 19.050 1.00 0.00 H new ATOM 968 N LEU A 105 5.940 4.614 19.396 1.00 0.00 N0 ATOM 969 CA LEU A 105 6.235 5.528 20.493 1.00 0.00 C0 ATOM 970 C LEU A 105 5.240 5.357 21.633 1.00 0.00 C0 ATOM 971 O LEU A 105 4.056 5.657 21.486 1.00 0.00 O0 ATOM 972 CB LEU A 105 6.208 6.979 19.995 1.00 0.00 C0 ATOM 973 CG LEU A 105 6.488 8.051 21.055 1.00 0.00 C0 ATOM 974 CD1 LEU A 105 7.904 7.879 21.589 1.00 0.00 C0 ATOM 975 CD2 LEU A 105 6.298 9.432 20.445 1.00 0.00 C0 ATOM 0 H LEU A 105 5.191 4.926 18.778 1.00 0.00 H new ATOM 0 HA LEU A 105 7.231 5.292 20.868 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.942 7.083 19.196 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.230 7.175 19.556 1.00 0.00 H new ATOM 0 HG LEU A 105 5.791 7.944 21.886 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.104 8.641 22.343 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.007 6.890 22.036 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.617 7.983 20.771 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.497 10.193 21.199 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.987 9.559 19.610 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.273 9.534 20.088 1.00 0.00 H new ATOM 987 N VAL A 106 5.729 4.873 22.772 1.00 0.00 N0 ATOM 988 CA VAL A 106 4.894 4.707 23.952 1.00 0.00 C0 ATOM 989 C VAL A 106 4.742 6.022 24.710 1.00 0.00 C0 ATOM 990 O VAL A 106 5.624 6.415 25.474 1.00 0.00 O0 ATOM 991 CB VAL A 106 5.501 3.647 24.892 1.00 0.00 C0 ATOM 992 CG1 VAL A 106 4.652 3.497 26.146 1.00 0.00 C0 ATOM 993 CG2 VAL A 106 5.621 2.318 24.160 1.00 0.00 C0 ATOM 0 H VAL A 106 6.700 4.590 22.900 1.00 0.00 H new ATOM 0 HA VAL A 106 3.910 4.380 23.617 1.00 0.00 H new ATOM 0 HB VAL A 106 6.496 3.971 25.196 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.096 2.745 26.798 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.607 4.451 26.671 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.644 3.188 25.868 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.051 1.572 24.829 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.633 1.990 23.837 1.00 0.00 H new ATOM 0 HG23 VAL A 106 6.266 2.439 23.289 1.00 0.00 H new ATOM 1003 N SER A 107 3.619 6.697 24.493 1.00 0.00 N0 ATOM 1004 CA SER A 107 3.379 8.000 25.101 1.00 0.00 C0 ATOM 1005 C SER A 107 2.798 7.854 26.503 1.00 0.00 C0 ATOM 1006 O SER A 107 1.761 7.223 26.692 1.00 0.00 O0 ATOM 1007 CB SER A 107 2.435 8.813 24.236 1.00 0.00 C0 ATOM 1008 OG SER A 107 2.091 10.017 24.864 1.00 0.00 O0 ATOM 0 H SER A 107 2.860 6.363 23.900 1.00 0.00 H new ATOM 0 HA SER A 107 4.335 8.517 25.178 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.905 9.021 23.275 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.534 8.235 24.032 1.00 0.00 H new ATOM 0 HG SER A 107 1.483 10.525 24.287 1.00 0.00 H new ATOM 1014 N GLN A 108 3.477 8.444 27.480 1.00 0.00 N0 ATOM 1015 CA GLN A 108 3.002 8.429 28.859 1.00 0.00 C0 ATOM 1016 C GLN A 108 2.138 9.647 29.158 1.00 0.00 C0 ATOM 1017 O GLN A 108 2.297 10.700 28.540 1.00 0.00 O0 ATOM 1018 CB GLN A 108 4.183 8.374 29.833 1.00 0.00 C0 ATOM 1019 CG GLN A 108 5.021 7.112 29.724 1.00 0.00 C0 ATOM 1020 CD GLN A 108 4.254 5.871 30.138 1.00 0.00 C0 ATOM 1021 OE1 GLN A 108 3.488 5.891 31.104 1.00 0.00 O0 ATOM 1022 NE2 GLN A 108 4.456 4.780 29.407 1.00 0.00 N0 ATOM 0 H GLN A 108 4.358 8.939 27.343 1.00 0.00 H new ATOM 0 HA GLN A 108 2.391 7.536 28.990 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.824 9.238 29.659 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.804 8.458 30.851 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.367 6.996 28.697 1.00 0.00 H new ATOM 0 HG3 GLN A 108 5.908 7.213 30.349 1.00 0.00 H new ATOM 0 HE21 GLN A 108 5.099 4.808 28.616 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.968 3.914 29.637 1.00 0.00 H new ATOM 1031 N PRO A 109 1.222 9.497 30.107 1.00 0.00 N0 ATOM 1032 CA PRO A 109 0.316 10.579 30.475 1.00 0.00 C0 ATOM 1033 C PRO A 109 1.020 11.619 31.339 1.00 0.00 C0 ATOM 1034 O PRO A 109 0.721 11.760 32.524 1.00 0.00 O0 ATOM 1035 CB PRO A 109 -0.788 9.855 31.252 1.00 0.00 C0 ATOM 1036 CG PRO A 109 -0.093 8.700 31.887 1.00 0.00 C0 ATOM 1037 CD PRO A 109 0.903 8.247 30.851 1.00 0.00 C0 ATOM 0 HA PRO A 109 -0.062 11.135 29.617 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.241 10.506 31.999 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.588 9.523 30.590 1.00 0.00 H new ATOM 0 HG2 PRO A 109 0.402 8.994 32.812 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.794 7.904 32.139 1.00 0.00 H new ATOM 0 HD2 PRO A 109 1.792 7.815 31.311 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.482 7.486 30.195 1.00 0.00 H new ATOM 1045 N GLY A 110 1.958 12.341 30.737 1.00 0.00 N0 ATOM 1046 CA GLY A 110 2.691 13.385 31.444 1.00 0.00 C0 ATOM 1047 C GLY A 110 4.085 12.911 31.834 1.00 0.00 C0 ATOM 1048 O GLY A 110 4.904 13.692 32.318 1.00 0.00 O0 ATOM 0 H GLY A 110 2.229 12.223 29.761 1.00 0.00 H new ATOM 0 HA2 GLY A 110 2.768 14.270 30.813 1.00 0.00 H new ATOM 0 HA3 GLY A 110 2.140 13.678 32.338 1.00 0.00 H new ATOM 1052 N GLY A 111 4.349 11.627 31.620 1.00 0.00 N0 ATOM 1053 CA GLY A 111 5.634 11.039 31.977 1.00 0.00 C0 ATOM 1054 C GLY A 111 6.576 10.997 30.780 1.00 0.00 C0 ATOM 1055 O GLY A 111 6.324 11.636 29.757 1.00 0.00 O0 ATOM 0 H GLY A 111 3.689 10.973 31.200 1.00 0.00 H new ATOM 0 HA2 GLY A 111 6.090 11.617 32.781 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.481 10.029 32.358 1.00 0.00 H new ATOM 1059 N LYS A 112 7.658 10.239 30.909 1.00 0.00 N0 ATOM 1060 CA LYS A 112 8.633 10.104 29.834 1.00 0.00 C0 ATOM 1061 C LYS A 112 8.253 8.975 28.886 1.00 0.00 C0 ATOM 1062 O LYS A 112 8.009 7.847 29.313 1.00 0.00 O0 ATOM 1063 CB LYS A 112 10.031 9.862 30.407 1.00 0.00 C0 ATOM 1064 CG LYS A 112 11.138 9.812 29.364 1.00 0.00 C0 ATOM 1065 CD LYS A 112 12.504 9.651 30.011 1.00 0.00 C0 ATOM 1066 CE LYS A 112 13.610 9.585 28.970 1.00 0.00 C0 ATOM 1067 NZ LYS A 112 14.953 9.432 29.592 1.00 0.00 N0 ATOM 0 H LYS A 112 7.883 9.707 31.750 1.00 0.00 H new ATOM 0 HA LYS A 112 8.639 11.036 29.269 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.259 10.652 31.123 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.026 8.922 30.959 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.958 8.983 28.680 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.121 10.725 28.769 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.688 10.486 30.687 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.517 8.744 30.615 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.425 8.748 28.297 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.592 10.491 28.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.678 9.391 28.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.142 10.243 30.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.979 8.554 30.149 1.00 0.00 H new ATOM 1081 N PRO A 113 8.206 9.286 27.594 1.00 0.00 N0 ATOM 1082 CA PRO A 113 7.810 8.311 26.586 1.00 0.00 C0 ATOM 1083 C PRO A 113 8.930 7.316 26.311 1.00 0.00 C0 ATOM 1084 O PRO A 113 10.094 7.576 26.614 1.00 0.00 O0 ATOM 1085 CB PRO A 113 7.515 9.181 25.361 1.00 0.00 C0 ATOM 1086 CG PRO A 113 8.420 10.358 25.523 1.00 0.00 C0 ATOM 1087 CD PRO A 113 8.418 10.629 27.003 1.00 0.00 C0 ATOM 0 HA PRO A 113 6.959 7.701 26.888 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.719 8.646 24.434 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.468 9.484 25.330 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.424 10.140 25.160 1.00 0.00 H new ATOM 0 HG3 PRO A 113 8.058 11.219 24.961 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.359 11.070 27.333 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.625 11.322 27.284 1.00 0.00 H new ATOM 1095 N GLN A 114 8.570 6.171 25.739 1.00 0.00 N0 ATOM 1096 CA GLN A 114 9.550 5.151 25.386 1.00 0.00 C0 ATOM 1097 C GLN A 114 9.386 4.706 23.939 1.00 0.00 C0 ATOM 1098 O GLN A 114 8.339 4.182 23.554 1.00 0.00 O0 ATOM 1099 CB GLN A 114 9.426 3.944 26.319 1.00 0.00 C0 ATOM 1100 CG GLN A 114 10.334 2.782 25.961 1.00 0.00 C0 ATOM 1101 CD GLN A 114 11.803 3.110 26.159 1.00 0.00 C0 ATOM 1102 OE1 GLN A 114 12.243 3.386 27.279 1.00 0.00 O0 ATOM 1103 NE2 GLN A 114 12.566 3.084 25.075 1.00 0.00 N0 ATOM 0 H GLN A 114 7.606 5.927 25.510 1.00 0.00 H new ATOM 0 HA GLN A 114 10.541 5.590 25.499 1.00 0.00 H new ATOM 0 HB2 GLN A 114 9.648 4.263 27.338 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.392 3.598 26.311 1.00 0.00 H new ATOM 0 HG2 GLN A 114 10.072 1.919 26.573 1.00 0.00 H new ATOM 0 HG3 GLN A 114 10.165 2.500 24.922 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.158 2.850 24.170 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.561 3.298 25.146 1.00 0.00 H new ATOM 1112 N LEU A 115 10.426 4.919 23.139 1.00 0.00 N0 ATOM 1113 CA LEU A 115 10.406 4.521 21.736 1.00 0.00 C0 ATOM 1114 C LEU A 115 10.822 3.065 21.571 1.00 0.00 C0 ATOM 1115 O LEU A 115 11.866 2.646 22.068 1.00 0.00 O0 ATOM 1116 CB LEU A 115 11.339 5.422 20.917 1.00 0.00 C0 ATOM 1117 CG LEU A 115 11.359 5.161 19.406 1.00 0.00 C0 ATOM 1118 CD1 LEU A 115 9.997 5.495 18.815 1.00 0.00 C0 ATOM 1119 CD2 LEU A 115 12.455 5.997 18.761 1.00 0.00 C0 ATOM 0 H LEU A 115 11.293 5.365 23.438 1.00 0.00 H new ATOM 0 HA LEU A 115 9.385 4.630 21.371 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.050 6.460 21.084 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.353 5.308 21.300 1.00 0.00 H new ATOM 0 HG LEU A 115 11.569 4.109 19.212 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.011 5.310 17.741 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.235 4.870 19.281 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.768 6.545 18.999 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.470 5.812 17.687 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.262 7.054 18.944 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.420 5.725 19.189 1.00 0.00 H new ATOM 1131 N VAL A 116 9.996 2.295 20.868 1.00 0.00 N0 ATOM 1132 CA VAL A 116 10.283 0.887 20.625 1.00 0.00 C0 ATOM 1133 C VAL A 116 10.271 0.573 19.134 1.00 0.00 C0 ATOM 1134 O VAL A 116 9.301 0.869 18.435 1.00 0.00 O0 ATOM 1135 CB VAL A 116 9.249 0.001 21.341 1.00 0.00 C0 ATOM 1136 CG1 VAL A 116 9.520 -1.470 21.057 1.00 0.00 C0 ATOM 1137 CG2 VAL A 116 9.278 0.275 22.837 1.00 0.00 C0 ATOM 0 H VAL A 116 9.122 2.624 20.457 1.00 0.00 H new ATOM 0 HA VAL A 116 11.278 0.678 21.018 1.00 0.00 H new ATOM 0 HB VAL A 116 8.256 0.241 20.962 1.00 0.00 H new ATOM 0 HG11 VAL A 116 8.779 -2.082 21.571 1.00 0.00 H new ATOM 0 HG12 VAL A 116 9.458 -1.651 19.984 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.517 -1.732 21.412 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.543 -0.356 23.337 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.271 0.055 23.228 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.040 1.323 23.020 1.00 0.00 H new ATOM 1147 N ALA A 117 11.352 -0.031 18.652 1.00 0.00 N0 ATOM 1148 CA ALA A 117 11.461 -0.400 17.245 1.00 0.00 C0 ATOM 1149 C ALA A 117 10.683 -1.674 16.950 1.00 0.00 C0 ATOM 1150 O ALA A 117 11.270 -2.737 16.742 1.00 0.00 O0 ATOM 1151 CB ALA A 117 12.922 -0.568 16.855 1.00 0.00 C0 ATOM 0 H ALA A 117 12.166 -0.276 19.216 1.00 0.00 H new ATOM 0 HA ALA A 117 11.028 0.404 16.650 1.00 0.00 H new ATOM 0 HB1 ALA A 117 12.988 -0.843 15.802 1.00 0.00 H new ATOM 0 HB2 ALA A 117 13.452 0.370 17.019 1.00 0.00 H new ATOM 0 HB3 ALA A 117 13.373 -1.351 17.464 1.00 0.00 H new ATOM 1157 N GLU A 118 9.360 -1.564 16.932 1.00 0.00 N0 ATOM 1158 CA GLU A 118 8.496 -2.714 16.688 1.00 0.00 C0 ATOM 1159 C GLU A 118 8.643 -3.221 15.260 1.00 0.00 C0 ATOM 1160 O GLU A 118 8.570 -2.448 14.305 1.00 0.00 O0 ATOM 1161 CB GLU A 118 7.035 -2.352 16.963 1.00 0.00 C0 ATOM 1162 CG GLU A 118 6.066 -3.519 16.846 1.00 0.00 C0 ATOM 1163 CD GLU A 118 4.657 -3.149 17.214 1.00 0.00 C0 ATOM 1164 OE1 GLU A 118 4.434 -2.015 17.568 1.00 0.00 O0 ATOM 1165 OE2 GLU A 118 3.801 -3.999 17.143 1.00 0.00 O0 ATOM 0 H GLU A 118 8.860 -0.688 17.084 1.00 0.00 H new ATOM 0 HA GLU A 118 8.802 -3.509 17.368 1.00 0.00 H new ATOM 0 HB2 GLU A 118 6.960 -1.932 17.966 1.00 0.00 H new ATOM 0 HB3 GLU A 118 6.730 -1.571 16.267 1.00 0.00 H new ATOM 0 HG2 GLU A 118 6.082 -3.897 15.824 1.00 0.00 H new ATOM 0 HG3 GLU A 118 6.403 -4.331 17.491 1.00 0.00 H new ATOM 1172 N PRO A 119 8.854 -4.526 15.121 1.00 0.00 N0 ATOM 1173 CA PRO A 119 8.975 -5.145 13.807 1.00 0.00 C0 ATOM 1174 C PRO A 119 7.789 -4.786 12.918 1.00 0.00 C0 ATOM 1175 O PRO A 119 7.758 -3.724 12.361 1.00 0.00 O0 ATOM 1176 CB PRO A 119 9.003 -6.643 14.131 1.00 0.00 C0 ATOM 1177 CG PRO A 119 9.607 -6.708 15.493 1.00 0.00 C0 ATOM 1178 CD PRO A 119 9.035 -5.520 16.215 1.00 0.00 C0 ATOM 0 HA PRO A 119 9.854 -4.814 13.254 1.00 0.00 H new ATOM 0 HB2 PRO A 119 8.001 -7.073 14.118 1.00 0.00 H new ATOM 0 HB3 PRO A 119 9.597 -7.197 13.404 1.00 0.00 H new ATOM 0 HG2 PRO A 119 9.351 -7.640 15.997 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.695 -6.659 15.448 1.00 0.00 H new ATOM 0 HD2 PRO A 119 8.091 -5.760 16.704 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.710 -5.153 16.988 1.00 0.00 H new