USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 630 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 38 LYS NZ :NH3+ 178:sc= 0.404 (180deg=-0.889) USER MOD Set 1.2: A 55 ASN : amide:sc= 1.12 K(o=1.5,f=-14!) USER MOD Single : A 1 PHE N :NH3+ 145:sc= 0.308 (180deg=0.0249) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -170:sc=-0.00464 (180deg=-0.0981) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= -0.0368 (180deg=-0.264) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 1.33 (180deg=1.09) USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.19) USER MOD Single : A 28 SER OG : rot 180:sc= -0.116 USER MOD Single : A 30 MET CE :methyl 175:sc= 0 (180deg=-0.0303) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -110:sc=-0.000663 USER MOD Single : A 34 ASN : amide:sc= -0.0244 X(o=-0.024,f=0.22) USER MOD Single : A 35 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.036) USER MOD Single : A 44 THR OG1 : rot 39:sc= 1.09 USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= -0.0501 (180deg=-0.342) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.307 F(o=-1.3,f=-0.31) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00315) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 172:sc=-0.00806 (180deg=-0.0723) USER MOD Single : A 60 GLN : amide:sc= -0.0741 X(o=-0.074,f=-0.074) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= 0.729 (180deg=0.664) USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= 0.712 (180deg=0.11) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.504 F(o=-2.3!,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -11.057 -4.537 -20.177 1.00 0.00 N ATOM 2 CA PHE A 1 -10.713 -5.822 -19.528 1.00 0.00 C ATOM 3 C PHE A 1 -9.416 -5.677 -18.745 1.00 0.00 C ATOM 4 O PHE A 1 -8.410 -5.203 -19.277 1.00 0.00 O ATOM 5 CB PHE A 1 -10.582 -6.938 -20.569 1.00 0.00 C ATOM 6 CG PHE A 1 -11.859 -7.217 -21.316 1.00 0.00 C ATOM 7 CD1 PHE A 1 -12.830 -8.044 -20.769 1.00 0.00 C ATOM 8 CD2 PHE A 1 -12.094 -6.644 -22.557 1.00 0.00 C ATOM 9 CE1 PHE A 1 -14.007 -8.298 -21.451 1.00 0.00 C ATOM 10 CE2 PHE A 1 -13.268 -6.896 -23.241 1.00 0.00 C ATOM 11 CZ PHE A 1 -14.227 -7.721 -22.685 1.00 0.00 C ATOM 0 H1 PHE A 1 -11.506 -4.722 -21.097 1.00 0.00 H new ATOM 0 H2 PHE A 1 -11.715 -4.007 -19.571 1.00 0.00 H new ATOM 0 H3 PHE A 1 -10.192 -3.978 -20.320 1.00 0.00 H new ATOM 0 HA PHE A 1 -11.516 -6.089 -18.841 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -9.804 -6.668 -21.283 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -10.255 -7.851 -20.072 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -12.665 -8.494 -19.801 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -11.351 -5.993 -22.994 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -14.753 -8.948 -21.018 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -13.436 -6.448 -24.209 1.00 0.00 H new ATOM 0 HZ PHE A 1 -15.148 -7.914 -23.216 1.00 0.00 H new ATOM 23 N PRO A 2 -9.431 -6.076 -17.462 1.00 0.00 N ATOM 24 CA PRO A 2 -8.297 -5.889 -16.553 1.00 0.00 C ATOM 25 C PRO A 2 -7.040 -6.623 -17.005 1.00 0.00 C ATOM 26 O PRO A 2 -6.983 -7.856 -16.999 1.00 0.00 O ATOM 27 CB PRO A 2 -8.794 -6.462 -15.220 1.00 0.00 C ATOM 28 CG PRO A 2 -10.278 -6.514 -15.344 1.00 0.00 C ATOM 29 CD PRO A 2 -10.559 -6.750 -16.798 1.00 0.00 C ATOM 0 HA PRO A 2 -8.005 -4.840 -16.502 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.379 -7.454 -15.039 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.491 -5.832 -14.384 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.694 -7.313 -14.731 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -10.732 -5.583 -15.004 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.592 -7.813 -17.036 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.517 -6.326 -17.099 1.00 0.00 H new ATOM 37 N MET A 3 -6.042 -5.854 -17.413 1.00 0.00 N ATOM 38 CA MET A 3 -4.748 -6.403 -17.784 1.00 0.00 C ATOM 39 C MET A 3 -3.782 -6.294 -16.612 1.00 0.00 C ATOM 40 O MET A 3 -3.828 -5.329 -15.848 1.00 0.00 O ATOM 41 CB MET A 3 -4.172 -5.679 -19.009 1.00 0.00 C ATOM 42 CG MET A 3 -3.867 -4.199 -18.789 1.00 0.00 C ATOM 43 SD MET A 3 -5.352 -3.202 -18.531 1.00 0.00 S ATOM 44 CE MET A 3 -4.630 -1.581 -18.287 1.00 0.00 C ATOM 0 H MET A 3 -6.106 -4.839 -17.496 1.00 0.00 H new ATOM 0 HA MET A 3 -4.884 -7.453 -18.043 1.00 0.00 H new ATOM 0 HB2 MET A 3 -3.255 -6.184 -19.315 1.00 0.00 H new ATOM 0 HB3 MET A 3 -4.878 -5.772 -19.834 1.00 0.00 H new ATOM 0 HG2 MET A 3 -3.211 -4.094 -17.925 1.00 0.00 H new ATOM 0 HG3 MET A 3 -3.323 -3.814 -19.651 1.00 0.00 H new ATOM 0 HE1 MET A 3 -5.422 -0.852 -18.115 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.965 -1.605 -17.424 1.00 0.00 H new ATOM 0 HE3 MET A 3 -4.063 -1.298 -19.174 1.00 0.00 H new ATOM 54 N PHE A 4 -2.922 -7.286 -16.463 1.00 0.00 N ATOM 55 CA PHE A 4 -1.963 -7.305 -15.366 1.00 0.00 C ATOM 56 C PHE A 4 -0.631 -7.904 -15.811 1.00 0.00 C ATOM 57 O PHE A 4 0.428 -7.495 -15.332 1.00 0.00 O ATOM 58 CB PHE A 4 -2.535 -8.079 -14.165 1.00 0.00 C ATOM 59 CG PHE A 4 -3.016 -9.471 -14.490 1.00 0.00 C ATOM 60 CD1 PHE A 4 -4.276 -9.676 -15.033 1.00 0.00 C ATOM 61 CD2 PHE A 4 -2.211 -10.571 -14.248 1.00 0.00 C ATOM 62 CE1 PHE A 4 -4.719 -10.951 -15.328 1.00 0.00 C ATOM 63 CE2 PHE A 4 -2.648 -11.847 -14.541 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.903 -12.039 -15.083 1.00 0.00 C ATOM 0 H PHE A 4 -2.866 -8.091 -17.087 1.00 0.00 H new ATOM 0 HA PHE A 4 -1.779 -6.276 -15.058 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.769 -8.144 -13.393 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.364 -7.511 -13.744 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.918 -8.829 -15.227 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.228 -10.429 -13.824 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.702 -11.097 -15.750 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.008 -12.695 -14.346 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.246 -13.036 -15.315 1.00 0.00 H new ATOM 74 N LYS A 5 -0.700 -8.849 -16.749 1.00 0.00 N ATOM 75 CA LYS A 5 0.476 -9.550 -17.262 1.00 0.00 C ATOM 76 C LYS A 5 1.261 -10.199 -16.121 1.00 0.00 C ATOM 77 O LYS A 5 2.338 -9.731 -15.737 1.00 0.00 O ATOM 78 CB LYS A 5 1.367 -8.603 -18.076 1.00 0.00 C ATOM 79 CG LYS A 5 2.483 -9.310 -18.836 1.00 0.00 C ATOM 80 CD LYS A 5 3.308 -8.331 -19.653 1.00 0.00 C ATOM 81 CE LYS A 5 2.479 -7.669 -20.745 1.00 0.00 C ATOM 82 NZ LYS A 5 2.023 -8.641 -21.775 1.00 0.00 N ATOM 0 H LYS A 5 -1.576 -9.150 -17.175 1.00 0.00 H new ATOM 0 HA LYS A 5 0.135 -10.342 -17.929 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.747 -8.056 -18.786 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.808 -7.866 -17.404 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.130 -9.833 -18.131 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.054 -10.065 -19.495 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.721 -7.566 -18.995 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.152 -8.854 -20.103 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.612 -7.185 -20.296 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.069 -6.887 -21.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.611 -8.127 -22.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.833 -9.205 -22.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.305 -9.272 -21.364 1.00 0.00 H new ATOM 96 N ARG A 6 0.684 -11.267 -15.574 1.00 0.00 N ATOM 97 CA ARG A 6 1.269 -12.002 -14.451 1.00 0.00 C ATOM 98 C ARG A 6 1.431 -11.111 -13.216 1.00 0.00 C ATOM 99 O ARG A 6 0.878 -10.009 -13.143 1.00 0.00 O ATOM 100 CB ARG A 6 2.615 -12.611 -14.858 1.00 0.00 C ATOM 101 CG ARG A 6 2.499 -13.594 -16.012 1.00 0.00 C ATOM 102 CD ARG A 6 3.851 -14.155 -16.420 1.00 0.00 C ATOM 103 NE ARG A 6 3.749 -15.023 -17.595 1.00 0.00 N ATOM 104 CZ ARG A 6 4.793 -15.420 -18.323 1.00 0.00 C ATOM 105 NH1 ARG A 6 6.025 -15.057 -17.975 1.00 0.00 N ATOM 106 NH2 ARG A 6 4.603 -16.178 -19.399 1.00 0.00 N ATOM 0 H ARG A 6 -0.205 -11.649 -15.897 1.00 0.00 H new ATOM 0 HA ARG A 6 0.584 -12.807 -14.186 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.300 -11.810 -15.138 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.052 -13.119 -13.998 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.838 -14.412 -15.726 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.040 -13.097 -16.867 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.536 -13.334 -16.633 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.277 -14.717 -15.589 1.00 0.00 H new ATOM 0 HE ARG A 6 2.822 -15.344 -17.874 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.171 -14.474 -17.151 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.823 -15.361 -18.533 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.659 -16.455 -19.667 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.401 -16.482 -19.956 1.00 0.00 H new ATOM 120 N GLY A 7 2.166 -11.611 -12.236 1.00 0.00 N ATOM 121 CA GLY A 7 2.389 -10.873 -11.011 1.00 0.00 C ATOM 122 C GLY A 7 2.989 -11.760 -9.944 1.00 0.00 C ATOM 123 O GLY A 7 3.126 -12.970 -10.149 1.00 0.00 O ATOM 0 H GLY A 7 2.617 -12.525 -12.268 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.054 -10.032 -11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.446 -10.458 -10.656 1.00 0.00 H new ATOM 127 N ARG A 8 3.356 -11.178 -8.813 1.00 0.00 N ATOM 128 CA ARG A 8 3.955 -11.942 -7.733 1.00 0.00 C ATOM 129 C ARG A 8 3.834 -11.186 -6.416 1.00 0.00 C ATOM 130 O ARG A 8 3.622 -9.975 -6.403 1.00 0.00 O ATOM 131 CB ARG A 8 5.425 -12.251 -8.055 1.00 0.00 C ATOM 132 CG ARG A 8 6.012 -13.395 -7.238 1.00 0.00 C ATOM 133 CD ARG A 8 5.116 -14.626 -7.280 1.00 0.00 C ATOM 134 NE ARG A 8 4.698 -14.957 -8.643 1.00 0.00 N ATOM 135 CZ ARG A 8 4.167 -16.121 -9.004 1.00 0.00 C ATOM 136 NH1 ARG A 8 4.054 -17.107 -8.128 1.00 0.00 N ATOM 137 NH2 ARG A 8 3.765 -16.296 -10.253 1.00 0.00 N ATOM 0 H ARG A 8 3.250 -10.182 -8.621 1.00 0.00 H new ATOM 0 HA ARG A 8 3.420 -12.886 -7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.511 -12.493 -9.114 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.020 -11.354 -7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.000 -13.649 -7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.145 -13.075 -6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.646 -15.475 -6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.234 -14.453 -6.663 1.00 0.00 H new ATOM 0 HE ARG A 8 4.822 -14.247 -9.364 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.375 -16.976 -7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.646 -17.997 -8.412 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.864 -15.540 -10.931 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.357 -17.186 -10.537 1.00 0.00 H new ATOM 151 N CYS A 9 3.960 -11.916 -5.320 1.00 0.00 N ATOM 152 CA CYS A 9 3.812 -11.352 -3.988 1.00 0.00 C ATOM 153 C CYS A 9 5.146 -10.839 -3.452 1.00 0.00 C ATOM 154 O CYS A 9 6.157 -10.866 -4.164 1.00 0.00 O ATOM 155 CB CYS A 9 3.241 -12.419 -3.054 1.00 0.00 C ATOM 156 SG CYS A 9 4.097 -14.018 -3.160 1.00 0.00 S ATOM 0 H CYS A 9 4.167 -12.915 -5.328 1.00 0.00 H new ATOM 0 HA CYS A 9 3.130 -10.503 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.294 -12.056 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.186 -12.566 -3.286 1.00 0.00 H new ATOM 161 N LEU A 10 5.124 -10.379 -2.201 1.00 0.00 N ATOM 162 CA LEU A 10 6.300 -9.848 -1.513 1.00 0.00 C ATOM 163 C LEU A 10 6.635 -8.462 -2.024 1.00 0.00 C ATOM 164 O LEU A 10 7.385 -8.292 -2.989 1.00 0.00 O ATOM 165 CB LEU A 10 7.521 -10.768 -1.636 1.00 0.00 C ATOM 166 CG LEU A 10 8.790 -10.246 -0.956 1.00 0.00 C ATOM 167 CD1 LEU A 10 8.592 -10.159 0.550 1.00 0.00 C ATOM 168 CD2 LEU A 10 9.974 -11.138 -1.293 1.00 0.00 C ATOM 0 H LEU A 10 4.279 -10.365 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 10 6.046 -9.791 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.271 -11.739 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.732 -10.929 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 10 8.997 -9.243 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.504 -9.786 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.768 -9.480 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.361 -11.149 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.869 -10.755 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.776 -12.152 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.127 -11.147 -2.372 1.00 0.00 H new ATOM 180 N CYS A 11 6.054 -7.470 -1.382 1.00 0.00 N ATOM 181 CA CYS A 11 6.285 -6.091 -1.745 1.00 0.00 C ATOM 182 C CYS A 11 6.268 -5.209 -0.500 1.00 0.00 C ATOM 183 O CYS A 11 5.411 -5.365 0.370 1.00 0.00 O ATOM 184 CB CYS A 11 5.219 -5.644 -2.748 1.00 0.00 C ATOM 185 SG CYS A 11 5.244 -3.870 -3.150 1.00 0.00 S ATOM 0 H CYS A 11 5.413 -7.597 -0.599 1.00 0.00 H new ATOM 0 HA CYS A 11 7.266 -5.995 -2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.346 -6.213 -3.669 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.237 -5.898 -2.350 1.00 0.00 H new ATOM 190 N ILE A 12 7.239 -4.312 -0.399 1.00 0.00 N ATOM 191 CA ILE A 12 7.307 -3.377 0.721 1.00 0.00 C ATOM 192 C ILE A 12 8.173 -2.176 0.365 1.00 0.00 C ATOM 193 O ILE A 12 9.182 -2.303 -0.333 1.00 0.00 O ATOM 194 CB ILE A 12 7.847 -4.070 2.002 1.00 0.00 C ATOM 195 CG1 ILE A 12 7.884 -3.095 3.184 1.00 0.00 C ATOM 196 CG2 ILE A 12 9.228 -4.663 1.762 1.00 0.00 C ATOM 197 CD1 ILE A 12 6.516 -2.628 3.638 1.00 0.00 C ATOM 0 H ILE A 12 7.993 -4.210 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 12 6.294 -3.030 0.926 1.00 0.00 H new ATOM 0 HB ILE A 12 7.163 -4.882 2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.390 -3.574 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 12 8.480 -2.226 2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.582 -5.142 2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.173 -5.402 0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.920 -3.870 1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.626 -1.941 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.014 -2.118 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.922 -3.488 3.948 1.00 0.00 H new ATOM 209 N GLY A 13 7.736 -1.013 0.833 1.00 0.00 N ATOM 210 CA GLY A 13 8.424 0.235 0.560 1.00 0.00 C ATOM 211 C GLY A 13 8.625 0.496 -0.917 1.00 0.00 C ATOM 212 O GLY A 13 9.744 0.498 -1.423 1.00 0.00 O ATOM 0 H GLY A 13 6.900 -0.912 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.855 1.058 0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.395 0.223 1.055 1.00 0.00 H new ATOM 216 N PRO A 14 7.526 0.726 -1.607 1.00 0.00 N ATOM 217 CA PRO A 14 7.479 1.017 -3.035 1.00 0.00 C ATOM 218 C PRO A 14 7.512 2.513 -3.304 1.00 0.00 C ATOM 219 O PRO A 14 7.243 2.975 -4.414 1.00 0.00 O ATOM 220 CB PRO A 14 6.118 0.448 -3.402 1.00 0.00 C ATOM 221 CG PRO A 14 5.281 0.778 -2.207 1.00 0.00 C ATOM 222 CD PRO A 14 6.199 0.711 -1.017 1.00 0.00 C ATOM 0 HA PRO A 14 8.319 0.607 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.722 0.903 -4.310 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.164 -0.627 -3.578 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.841 1.770 -2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.457 0.072 -2.103 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.049 1.557 -0.347 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.031 -0.193 -0.432 1.00 0.00 H new ATOM 230 N GLY A 15 7.849 3.255 -2.270 1.00 0.00 N ATOM 231 CA GLY A 15 7.802 4.696 -2.334 1.00 0.00 C ATOM 232 C GLY A 15 6.479 5.245 -1.839 1.00 0.00 C ATOM 233 O GLY A 15 5.569 4.479 -1.516 1.00 0.00 O ATOM 0 H GLY A 15 8.159 2.880 -1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.613 5.112 -1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.966 5.018 -3.362 1.00 0.00 H new ATOM 237 N VAL A 16 6.369 6.567 -1.792 1.00 0.00 N ATOM 238 CA VAL A 16 5.204 7.247 -1.244 1.00 0.00 C ATOM 239 C VAL A 16 5.048 8.587 -1.946 1.00 0.00 C ATOM 240 O VAL A 16 5.948 9.003 -2.679 1.00 0.00 O ATOM 241 CB VAL A 16 5.319 7.495 0.285 1.00 0.00 C ATOM 242 CG1 VAL A 16 5.438 6.183 1.049 1.00 0.00 C ATOM 243 CG2 VAL A 16 6.496 8.408 0.604 1.00 0.00 C ATOM 0 H VAL A 16 7.091 7.201 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 16 4.339 6.604 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 16 4.404 7.992 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.517 6.389 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.555 5.572 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.327 5.648 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.553 8.565 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.420 7.946 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.358 9.367 0.104 1.00 0.00 H new ATOM 253 N LYS A 17 3.925 9.262 -1.727 1.00 0.00 N ATOM 254 CA LYS A 17 3.690 10.558 -2.354 1.00 0.00 C ATOM 255 C LYS A 17 2.407 11.203 -1.844 1.00 0.00 C ATOM 256 O LYS A 17 2.354 12.421 -1.697 1.00 0.00 O ATOM 257 CB LYS A 17 3.619 10.412 -3.876 1.00 0.00 C ATOM 258 CG LYS A 17 3.635 11.735 -4.615 1.00 0.00 C ATOM 259 CD LYS A 17 4.886 12.533 -4.286 1.00 0.00 C ATOM 260 CE LYS A 17 4.932 13.842 -5.057 1.00 0.00 C ATOM 261 NZ LYS A 17 4.981 13.617 -6.524 1.00 0.00 N ATOM 0 H LYS A 17 3.168 8.937 -1.125 1.00 0.00 H new ATOM 0 HA LYS A 17 4.527 11.204 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.460 9.807 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.710 9.870 -4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.587 11.555 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.751 12.314 -4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.916 12.739 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.769 11.940 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.055 14.440 -4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.806 14.415 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.264 14.497 -7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.672 12.869 -6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.041 13.327 -6.862 1.00 0.00 H new ATOM 275 N ALA A 18 1.391 10.377 -1.575 1.00 0.00 N ATOM 276 CA ALA A 18 0.067 10.853 -1.159 1.00 0.00 C ATOM 277 C ALA A 18 -0.678 11.469 -2.340 1.00 0.00 C ATOM 278 O ALA A 18 -0.317 12.537 -2.840 1.00 0.00 O ATOM 279 CB ALA A 18 0.155 11.833 0.008 1.00 0.00 C ATOM 0 H ALA A 18 1.462 9.362 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.498 9.989 -0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.847 12.161 0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.624 11.342 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.751 12.697 -0.286 1.00 0.00 H new ATOM 285 N VAL A 19 -1.714 10.774 -2.786 1.00 0.00 N ATOM 286 CA VAL A 19 -2.476 11.185 -3.959 1.00 0.00 C ATOM 287 C VAL A 19 -3.977 11.187 -3.679 1.00 0.00 C ATOM 288 O VAL A 19 -4.403 11.368 -2.538 1.00 0.00 O ATOM 289 CB VAL A 19 -2.153 10.292 -5.179 1.00 0.00 C ATOM 290 CG1 VAL A 19 -0.749 10.568 -5.689 1.00 0.00 C ATOM 291 CG2 VAL A 19 -2.301 8.826 -4.828 1.00 0.00 C ATOM 0 H VAL A 19 -2.049 9.915 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.177 12.206 -4.196 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.865 10.532 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.542 9.929 -6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.669 11.613 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.027 10.360 -4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.069 8.217 -5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.616 8.575 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.325 8.629 -4.511 1.00 0.00 H new ATOM 301 N LYS A 20 -4.770 11.003 -4.726 1.00 0.00 N ATOM 302 CA LYS A 20 -6.216 11.135 -4.645 1.00 0.00 C ATOM 303 C LYS A 20 -6.835 9.962 -3.897 1.00 0.00 C ATOM 304 O LYS A 20 -7.168 8.960 -4.522 1.00 0.00 O ATOM 305 CB LYS A 20 -6.794 11.178 -6.058 1.00 0.00 C ATOM 306 CG LYS A 20 -6.101 12.168 -6.977 1.00 0.00 C ATOM 307 CD LYS A 20 -6.569 12.022 -8.415 1.00 0.00 C ATOM 308 CE LYS A 20 -8.062 12.263 -8.559 1.00 0.00 C ATOM 309 NZ LYS A 20 -8.529 11.970 -9.939 1.00 0.00 N ATOM 0 H LYS A 20 -4.428 10.758 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.447 12.053 -4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.728 10.183 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.853 11.431 -5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.296 13.183 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.023 12.017 -6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.026 12.727 -9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.328 11.022 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.603 11.637 -7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.291 13.299 -8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.508 12.302 -10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.916 12.458 -10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.490 10.945 -10.108 1.00 0.00 H new ATOM 323 N VAL A 21 -6.983 10.096 -2.574 1.00 0.00 N ATOM 324 CA VAL A 21 -7.545 9.035 -1.723 1.00 0.00 C ATOM 325 C VAL A 21 -9.004 8.741 -2.069 1.00 0.00 C ATOM 326 O VAL A 21 -9.934 9.134 -1.359 1.00 0.00 O ATOM 327 CB VAL A 21 -7.407 9.365 -0.218 1.00 0.00 C ATOM 328 CG1 VAL A 21 -5.973 9.158 0.238 1.00 0.00 C ATOM 329 CG2 VAL A 21 -7.849 10.791 0.076 1.00 0.00 C ATOM 0 H VAL A 21 -6.719 10.938 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.960 8.138 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.058 8.688 0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.891 9.394 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.685 8.120 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.312 9.812 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.740 10.993 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.231 11.488 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.893 10.915 -0.212 1.00 0.00 H new ATOM 339 N ALA A 22 -9.153 8.055 -3.189 1.00 0.00 N ATOM 340 CA ALA A 22 -10.428 7.652 -3.762 1.00 0.00 C ATOM 341 C ALA A 22 -10.159 7.130 -5.159 1.00 0.00 C ATOM 342 O ALA A 22 -10.725 6.129 -5.599 1.00 0.00 O ATOM 343 CB ALA A 22 -11.418 8.811 -3.820 1.00 0.00 C ATOM 0 H ALA A 22 -8.356 7.750 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.878 6.883 -3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.356 8.466 -4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.600 9.185 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.006 9.611 -4.435 1.00 0.00 H new ATOM 349 N ASP A 23 -9.249 7.815 -5.836 1.00 0.00 N ATOM 350 CA ASP A 23 -8.837 7.450 -7.180 1.00 0.00 C ATOM 351 C ASP A 23 -7.678 6.468 -7.102 1.00 0.00 C ATOM 352 O ASP A 23 -7.740 5.356 -7.625 1.00 0.00 O ATOM 353 CB ASP A 23 -8.402 8.702 -7.947 1.00 0.00 C ATOM 354 CG ASP A 23 -8.392 8.501 -9.450 1.00 0.00 C ATOM 355 OD1 ASP A 23 -8.962 7.500 -9.928 1.00 0.00 O ATOM 356 OD2 ASP A 23 -7.837 9.365 -10.161 1.00 0.00 O ATOM 0 H ASP A 23 -8.776 8.640 -5.467 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.674 6.986 -7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.073 9.524 -7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.405 8.995 -7.618 1.00 0.00 H new ATOM 361 N ILE A 24 -6.639 6.884 -6.394 1.00 0.00 N ATOM 362 CA ILE A 24 -5.447 6.089 -6.198 1.00 0.00 C ATOM 363 C ILE A 24 -4.962 6.278 -4.798 1.00 0.00 C ATOM 364 O ILE A 24 -5.290 7.262 -4.149 1.00 0.00 O ATOM 365 CB ILE A 24 -4.303 6.427 -7.184 1.00 0.00 C ATOM 366 CG1 ILE A 24 -4.211 7.939 -7.453 1.00 0.00 C ATOM 367 CG2 ILE A 24 -4.482 5.628 -8.462 1.00 0.00 C ATOM 368 CD1 ILE A 24 -5.092 8.442 -8.575 1.00 0.00 C ATOM 0 H ILE A 24 -6.604 7.795 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.725 5.052 -6.389 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.353 6.143 -6.731 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.472 8.472 -6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.176 8.190 -7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.676 5.866 -9.156 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.459 4.563 -8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.440 5.880 -8.918 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.958 9.518 -8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.819 7.942 -9.504 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.135 8.229 -8.342 1.00 0.00 H new ATOM 380 N GLU A 25 -4.191 5.324 -4.347 1.00 0.00 N ATOM 381 CA GLU A 25 -3.781 5.269 -2.979 1.00 0.00 C ATOM 382 C GLU A 25 -5.022 5.072 -2.124 1.00 0.00 C ATOM 383 O GLU A 25 -5.545 5.972 -1.467 1.00 0.00 O ATOM 384 CB GLU A 25 -2.989 6.521 -2.628 1.00 0.00 C ATOM 385 CG GLU A 25 -2.408 6.523 -1.223 1.00 0.00 C ATOM 386 CD GLU A 25 -1.547 7.736 -0.952 1.00 0.00 C ATOM 387 OE1 GLU A 25 -2.096 8.848 -0.842 1.00 0.00 O ATOM 388 OE2 GLU A 25 -0.312 7.578 -0.833 1.00 0.00 O ATOM 0 H GLU A 25 -3.832 4.564 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.112 4.430 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.176 6.634 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.637 7.390 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.221 6.490 -0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.814 5.621 -1.078 1.00 0.00 H new ATOM 395 N LYS A 26 -5.492 3.850 -2.215 1.00 0.00 N ATOM 396 CA LYS A 26 -6.549 3.321 -1.424 1.00 0.00 C ATOM 397 C LYS A 26 -6.279 1.828 -1.360 1.00 0.00 C ATOM 398 O LYS A 26 -6.177 1.162 -2.390 1.00 0.00 O ATOM 399 CB LYS A 26 -7.933 3.649 -2.019 1.00 0.00 C ATOM 400 CG LYS A 26 -8.167 3.164 -3.447 1.00 0.00 C ATOM 401 CD LYS A 26 -9.645 3.269 -3.815 1.00 0.00 C ATOM 402 CE LYS A 26 -9.942 2.730 -5.209 1.00 0.00 C ATOM 403 NZ LYS A 26 -9.577 3.697 -6.278 1.00 0.00 N ATOM 0 H LYS A 26 -5.120 3.173 -2.881 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.575 3.762 -0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.698 3.213 -1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.073 4.730 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.571 3.757 -4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.835 2.130 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.238 2.720 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.956 4.312 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.394 1.800 -5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.003 2.491 -5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.750 3.267 -7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.155 4.556 -6.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.571 3.945 -6.193 1.00 0.00 H new ATOM 417 N ALA A 27 -6.110 1.318 -0.166 1.00 0.00 N ATOM 418 CA ALA A 27 -5.611 -0.035 0.015 1.00 0.00 C ATOM 419 C ALA A 27 -6.723 -1.052 -0.056 1.00 0.00 C ATOM 420 O ALA A 27 -7.535 -1.178 0.857 1.00 0.00 O ATOM 421 CB ALA A 27 -4.897 -0.165 1.339 1.00 0.00 C ATOM 0 H ALA A 27 -6.309 1.816 0.702 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.911 -0.232 -0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.531 -1.185 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.056 0.528 1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.588 0.068 2.149 1.00 0.00 H new ATOM 427 N SER A 28 -6.747 -1.776 -1.153 1.00 0.00 N ATOM 428 CA SER A 28 -7.799 -2.732 -1.396 1.00 0.00 C ATOM 429 C SER A 28 -7.281 -4.157 -1.480 1.00 0.00 C ATOM 430 O SER A 28 -7.312 -4.777 -2.545 1.00 0.00 O ATOM 431 CB SER A 28 -8.412 -2.380 -2.737 1.00 0.00 C ATOM 432 OG SER A 28 -9.188 -1.199 -2.661 1.00 0.00 O ATOM 0 H SER A 28 -6.046 -1.719 -1.892 1.00 0.00 H new ATOM 0 HA SER A 28 -8.511 -2.686 -0.572 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.622 -2.250 -3.476 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.036 -3.205 -3.080 1.00 0.00 H new ATOM 0 HG SER A 28 -9.567 -0.999 -3.542 1.00 0.00 H new ATOM 438 N ILE A 29 -6.790 -4.673 -0.377 1.00 0.00 N ATOM 439 CA ILE A 29 -6.622 -6.098 -0.216 1.00 0.00 C ATOM 440 C ILE A 29 -6.367 -6.400 1.254 1.00 0.00 C ATOM 441 O ILE A 29 -5.892 -5.529 1.982 1.00 0.00 O ATOM 442 CB ILE A 29 -5.499 -6.656 -1.123 1.00 0.00 C ATOM 443 CG1 ILE A 29 -5.558 -8.185 -1.200 1.00 0.00 C ATOM 444 CG2 ILE A 29 -4.143 -6.201 -0.640 1.00 0.00 C ATOM 445 CD1 ILE A 29 -6.808 -8.705 -1.878 1.00 0.00 C ATOM 0 H ILE A 29 -6.498 -4.121 0.429 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.536 -6.601 -0.531 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.656 -6.262 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.683 -8.548 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.503 -8.595 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.370 -6.606 -1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.098 -5.112 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.981 -6.556 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.785 -9.795 -1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.687 -8.371 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.854 -8.324 -2.898 1.00 0.00 H new ATOM 457 N MET A 30 -6.696 -7.591 1.703 1.00 0.00 N ATOM 458 CA MET A 30 -6.133 -8.091 2.945 1.00 0.00 C ATOM 459 C MET A 30 -6.056 -9.605 2.880 1.00 0.00 C ATOM 460 O MET A 30 -6.867 -10.325 3.463 1.00 0.00 O ATOM 461 CB MET A 30 -6.910 -7.599 4.174 1.00 0.00 C ATOM 462 CG MET A 30 -6.263 -7.991 5.496 1.00 0.00 C ATOM 463 SD MET A 30 -6.870 -7.025 6.900 1.00 0.00 S ATOM 464 CE MET A 30 -8.602 -7.479 6.914 1.00 0.00 C ATOM 0 H MET A 30 -7.342 -8.227 1.236 1.00 0.00 H new ATOM 0 HA MET A 30 -5.125 -7.693 3.061 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.997 -6.513 4.129 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.922 -8.002 4.140 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.448 -9.049 5.684 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.183 -7.865 5.416 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.089 -7.031 7.780 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.080 -7.119 6.003 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.693 -8.564 6.968 1.00 0.00 H new ATOM 474 N TYR A 31 -5.064 -10.060 2.133 1.00 0.00 N ATOM 475 CA TYR A 31 -4.832 -11.471 1.869 1.00 0.00 C ATOM 476 C TYR A 31 -3.348 -11.662 1.639 1.00 0.00 C ATOM 477 O TYR A 31 -2.634 -10.671 1.488 1.00 0.00 O ATOM 478 CB TYR A 31 -5.612 -11.968 0.637 1.00 0.00 C ATOM 479 CG TYR A 31 -7.112 -12.063 0.832 1.00 0.00 C ATOM 480 CD1 TYR A 31 -7.689 -13.220 1.343 1.00 0.00 C ATOM 481 CD2 TYR A 31 -7.948 -11.006 0.495 1.00 0.00 C ATOM 482 CE1 TYR A 31 -9.056 -13.319 1.515 1.00 0.00 C ATOM 483 CE2 TYR A 31 -9.316 -11.097 0.667 1.00 0.00 C ATOM 484 CZ TYR A 31 -9.866 -12.257 1.173 1.00 0.00 C ATOM 485 OH TYR A 31 -11.230 -12.357 1.341 1.00 0.00 O ATOM 0 H TYR A 31 -4.384 -9.447 1.684 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.181 -12.050 2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -5.410 -11.298 -0.199 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -5.233 -12.951 0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.058 -14.055 1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -7.522 -10.099 0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.488 -14.224 1.916 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.952 -10.264 0.407 1.00 0.00 H new ATOM 0 HH TYR A 31 -11.657 -11.523 1.054 1.00 0.00 H new ATOM 495 N PRO A 32 -2.848 -12.906 1.684 1.00 0.00 N ATOM 496 CA PRO A 32 -1.463 -13.236 1.308 1.00 0.00 C ATOM 497 C PRO A 32 -1.143 -12.880 -0.148 1.00 0.00 C ATOM 498 O PRO A 32 -0.674 -13.727 -0.913 1.00 0.00 O ATOM 499 CB PRO A 32 -1.385 -14.753 1.518 1.00 0.00 C ATOM 500 CG PRO A 32 -2.797 -15.216 1.529 1.00 0.00 C ATOM 501 CD PRO A 32 -3.579 -14.093 2.138 1.00 0.00 C ATOM 0 HA PRO A 32 -0.742 -12.671 1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.819 -15.233 0.719 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.883 -14.996 2.455 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.146 -15.436 0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.906 -16.131 2.111 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.613 -14.087 1.794 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.605 -14.161 3.226 1.00 0.00 H new ATOM 509 N SER A 33 -1.372 -11.610 -0.499 1.00 0.00 N ATOM 510 CA SER A 33 -1.222 -11.098 -1.856 1.00 0.00 C ATOM 511 C SER A 33 -2.258 -11.736 -2.775 1.00 0.00 C ATOM 512 O SER A 33 -3.190 -11.072 -3.230 1.00 0.00 O ATOM 513 CB SER A 33 0.197 -11.341 -2.378 1.00 0.00 C ATOM 514 OG SER A 33 0.376 -10.808 -3.678 1.00 0.00 O ATOM 0 H SER A 33 -1.672 -10.900 0.168 1.00 0.00 H new ATOM 0 HA SER A 33 -1.389 -10.021 -1.841 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.918 -10.888 -1.697 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.401 -12.412 -2.393 1.00 0.00 H new ATOM 0 HG SER A 33 0.462 -11.541 -4.323 1.00 0.00 H new ATOM 520 N ASN A 34 -2.108 -13.042 -2.983 1.00 0.00 N ATOM 521 CA ASN A 34 -2.975 -13.821 -3.860 1.00 0.00 C ATOM 522 C ASN A 34 -2.369 -15.208 -4.049 1.00 0.00 C ATOM 523 O ASN A 34 -3.082 -16.192 -4.238 1.00 0.00 O ATOM 524 CB ASN A 34 -3.139 -13.148 -5.233 1.00 0.00 C ATOM 525 CG ASN A 34 -4.356 -13.641 -6.010 1.00 0.00 C ATOM 526 OD1 ASN A 34 -4.814 -14.772 -5.846 1.00 0.00 O ATOM 527 ND2 ASN A 34 -4.884 -12.786 -6.875 1.00 0.00 N ATOM 0 H ASN A 34 -1.373 -13.594 -2.542 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.960 -13.890 -3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.219 -12.070 -5.093 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.242 -13.327 -5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.695 -13.058 -7.430 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.479 -11.856 -6.985 1.00 0.00 H new ATOM 534 N ASN A 35 -1.041 -15.283 -3.972 1.00 0.00 N ATOM 535 CA ASN A 35 -0.329 -16.527 -4.238 1.00 0.00 C ATOM 536 C ASN A 35 0.879 -16.606 -3.317 1.00 0.00 C ATOM 537 O ASN A 35 1.993 -16.923 -3.731 1.00 0.00 O ATOM 538 CB ASN A 35 0.106 -16.585 -5.709 1.00 0.00 C ATOM 539 CG ASN A 35 0.481 -17.987 -6.168 1.00 0.00 C ATOM 540 OD1 ASN A 35 -0.373 -18.752 -6.615 1.00 0.00 O ATOM 541 ND2 ASN A 35 1.754 -18.332 -6.072 1.00 0.00 N ATOM 0 H ASN A 35 -0.439 -14.497 -3.728 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.985 -17.377 -4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.703 -16.209 -6.336 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.958 -15.921 -5.856 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.055 -19.259 -6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.434 -17.672 -5.696 1.00 0.00 H new ATOM 548 N CYS A 36 0.646 -16.301 -2.057 1.00 0.00 N ATOM 549 CA CYS A 36 1.712 -16.255 -1.075 1.00 0.00 C ATOM 550 C CYS A 36 1.234 -16.785 0.257 1.00 0.00 C ATOM 551 O CYS A 36 0.108 -17.264 0.378 1.00 0.00 O ATOM 552 CB CYS A 36 2.225 -14.825 -0.929 1.00 0.00 C ATOM 553 SG CYS A 36 4.012 -14.672 -1.250 1.00 0.00 S ATOM 0 H CYS A 36 -0.278 -16.080 -1.686 1.00 0.00 H new ATOM 0 HA CYS A 36 2.530 -16.889 -1.418 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.681 -14.178 -1.617 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.011 -14.469 0.079 1.00 0.00 H new ATOM 558 N ASP A 37 2.100 -16.702 1.249 1.00 0.00 N ATOM 559 CA ASP A 37 1.761 -17.120 2.601 1.00 0.00 C ATOM 560 C ASP A 37 1.957 -15.946 3.534 1.00 0.00 C ATOM 561 O ASP A 37 1.926 -16.076 4.760 1.00 0.00 O ATOM 562 CB ASP A 37 2.594 -18.330 3.056 1.00 0.00 C ATOM 563 CG ASP A 37 4.086 -18.057 3.109 1.00 0.00 C ATOM 564 OD1 ASP A 37 4.763 -18.207 2.068 1.00 0.00 O ATOM 565 OD2 ASP A 37 4.599 -17.715 4.193 1.00 0.00 O ATOM 0 H ASP A 37 3.050 -16.347 1.145 1.00 0.00 H new ATOM 0 HA ASP A 37 0.719 -17.439 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.255 -18.643 4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.410 -19.163 2.377 1.00 0.00 H new ATOM 570 N LYS A 38 2.132 -14.786 2.928 1.00 0.00 N ATOM 571 CA LYS A 38 2.309 -13.557 3.660 1.00 0.00 C ATOM 572 C LYS A 38 1.246 -12.572 3.213 1.00 0.00 C ATOM 573 O LYS A 38 1.048 -12.352 2.021 1.00 0.00 O ATOM 574 CB LYS A 38 3.707 -12.991 3.420 1.00 0.00 C ATOM 575 CG LYS A 38 3.906 -12.429 2.025 1.00 0.00 C ATOM 576 CD LYS A 38 5.238 -11.709 1.878 1.00 0.00 C ATOM 577 CE LYS A 38 5.392 -10.583 2.891 1.00 0.00 C ATOM 578 NZ LYS A 38 4.338 -9.544 2.743 1.00 0.00 N ATOM 0 H LYS A 38 2.155 -14.675 1.914 1.00 0.00 H new ATOM 0 HA LYS A 38 2.207 -13.744 4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.901 -12.205 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.442 -13.777 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.851 -13.239 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.095 -11.738 1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.052 -12.423 2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.322 -11.304 0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.353 -10.996 3.899 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.373 -10.122 2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.463 -8.816 3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.412 -9.106 1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.401 -9.983 2.848 1.00 0.00 H new ATOM 592 N ILE A 39 0.577 -11.977 4.165 1.00 0.00 N ATOM 593 CA ILE A 39 -0.573 -11.140 3.868 1.00 0.00 C ATOM 594 C ILE A 39 -0.136 -9.702 3.620 1.00 0.00 C ATOM 595 O ILE A 39 0.716 -9.169 4.330 1.00 0.00 O ATOM 596 CB ILE A 39 -1.641 -11.219 4.982 1.00 0.00 C ATOM 597 CG1 ILE A 39 -1.053 -10.866 6.348 1.00 0.00 C ATOM 598 CG2 ILE A 39 -2.239 -12.616 5.013 1.00 0.00 C ATOM 599 CD1 ILE A 39 -2.049 -10.991 7.483 1.00 0.00 C ATOM 0 H ILE A 39 0.803 -12.052 5.157 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.036 -11.519 2.957 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.421 -10.491 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.202 -11.517 6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.673 -9.845 6.319 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.992 -12.672 5.799 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.701 -12.835 4.051 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.453 -13.344 5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.565 -10.726 8.423 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.889 -10.320 7.305 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.411 -12.018 7.538 1.00 0.00 H new ATOM 611 N GLU A 40 -0.699 -9.098 2.584 1.00 0.00 N ATOM 612 CA GLU A 40 -0.209 -7.826 2.071 1.00 0.00 C ATOM 613 C GLU A 40 -1.366 -6.897 1.723 1.00 0.00 C ATOM 614 O GLU A 40 -2.508 -7.342 1.603 1.00 0.00 O ATOM 615 CB GLU A 40 0.652 -8.072 0.828 1.00 0.00 C ATOM 616 CG GLU A 40 1.736 -9.118 1.053 1.00 0.00 C ATOM 617 CD GLU A 40 2.830 -9.124 0.001 1.00 0.00 C ATOM 618 OE1 GLU A 40 2.628 -9.719 -1.077 1.00 0.00 O ATOM 619 OE2 GLU A 40 3.921 -8.574 0.279 1.00 0.00 O ATOM 0 H GLU A 40 -1.502 -9.472 2.078 1.00 0.00 H new ATOM 0 HA GLU A 40 0.392 -7.348 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.011 -8.392 0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.117 -7.134 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.189 -8.949 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.272 -10.104 1.083 1.00 0.00 H new ATOM 626 N VAL A 41 -1.060 -5.609 1.598 1.00 0.00 N ATOM 627 CA VAL A 41 -2.040 -4.600 1.207 1.00 0.00 C ATOM 628 C VAL A 41 -1.619 -3.930 -0.109 1.00 0.00 C ATOM 629 O VAL A 41 -0.426 -3.758 -0.355 1.00 0.00 O ATOM 630 CB VAL A 41 -2.219 -3.546 2.333 1.00 0.00 C ATOM 631 CG1 VAL A 41 -2.212 -2.121 1.790 1.00 0.00 C ATOM 632 CG2 VAL A 41 -3.508 -3.817 3.098 1.00 0.00 C ATOM 0 H VAL A 41 -0.126 -5.235 1.765 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.001 -5.091 1.050 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.370 -3.637 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.340 -1.418 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.263 -1.927 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.028 -1.999 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.626 -3.073 3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.355 -3.760 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.466 -4.812 3.541 1.00 0.00 H new ATOM 642 N ILE A 42 -2.592 -3.566 -0.958 1.00 0.00 N ATOM 643 CA ILE A 42 -2.285 -2.942 -2.229 1.00 0.00 C ATOM 644 C ILE A 42 -2.906 -1.563 -2.292 1.00 0.00 C ATOM 645 O ILE A 42 -4.120 -1.416 -2.447 1.00 0.00 O ATOM 646 CB ILE A 42 -2.783 -3.757 -3.444 1.00 0.00 C ATOM 647 CG1 ILE A 42 -2.309 -5.212 -3.358 1.00 0.00 C ATOM 648 CG2 ILE A 42 -2.267 -3.108 -4.726 1.00 0.00 C ATOM 649 CD1 ILE A 42 -2.827 -6.088 -4.479 1.00 0.00 C ATOM 0 H ILE A 42 -3.588 -3.697 -0.778 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.198 -2.888 -2.286 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.873 -3.761 -3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.219 -5.231 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.626 -5.633 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.615 -3.678 -5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.640 -2.086 -4.792 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.177 -3.096 -4.715 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.450 -7.103 -4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.917 -6.100 -4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.488 -5.693 -5.436 1.00 0.00 H new ATOM 661 N ILE A 43 -2.075 -0.562 -2.128 1.00 0.00 N ATOM 662 CA ILE A 43 -2.499 0.811 -2.283 1.00 0.00 C ATOM 663 C ILE A 43 -1.885 1.360 -3.534 1.00 0.00 C ATOM 664 O ILE A 43 -0.682 1.545 -3.614 1.00 0.00 O ATOM 665 CB ILE A 43 -2.048 1.698 -1.124 1.00 0.00 C ATOM 666 CG1 ILE A 43 -1.948 0.927 0.189 1.00 0.00 C ATOM 667 CG2 ILE A 43 -3.017 2.834 -0.973 1.00 0.00 C ATOM 668 CD1 ILE A 43 -1.271 1.718 1.287 1.00 0.00 C ATOM 0 H ILE A 43 -1.091 -0.674 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.588 0.814 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.051 2.073 -1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.949 0.645 0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.395 0.003 0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.703 3.473 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.041 3.417 -1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.012 2.439 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.230 1.117 2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.259 1.978 0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.836 2.630 1.480 1.00 0.00 H new ATOM 680 N THR A 44 -2.683 1.618 -4.519 1.00 0.00 N ATOM 681 CA THR A 44 -2.124 2.058 -5.762 1.00 0.00 C ATOM 682 C THR A 44 -2.004 3.568 -5.807 1.00 0.00 C ATOM 683 O THR A 44 -2.898 4.238 -6.282 1.00 0.00 O ATOM 684 CB THR A 44 -2.946 1.593 -6.955 1.00 0.00 C ATOM 685 OG1 THR A 44 -4.232 2.213 -6.933 1.00 0.00 O ATOM 686 CG2 THR A 44 -3.104 0.086 -6.963 1.00 0.00 C ATOM 0 H THR A 44 -3.699 1.536 -4.494 1.00 0.00 H new ATOM 0 HA THR A 44 -1.132 1.611 -5.825 1.00 0.00 H new ATOM 0 HB THR A 44 -2.415 1.884 -7.862 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.142 3.143 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.696 -0.213 -7.828 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.121 -0.383 -7.016 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.608 -0.232 -6.051 1.00 0.00 H new ATOM 694 N LEU A 45 -0.910 4.108 -5.320 1.00 0.00 N ATOM 695 CA LEU A 45 -0.744 5.542 -5.309 1.00 0.00 C ATOM 696 C LEU A 45 -0.103 5.968 -6.622 1.00 0.00 C ATOM 697 O LEU A 45 1.111 5.903 -6.808 1.00 0.00 O ATOM 698 CB LEU A 45 0.036 5.993 -4.044 1.00 0.00 C ATOM 699 CG LEU A 45 1.453 6.557 -4.222 1.00 0.00 C ATOM 700 CD1 LEU A 45 1.418 7.977 -4.772 1.00 0.00 C ATOM 701 CD2 LEU A 45 2.200 6.543 -2.907 1.00 0.00 C ATOM 0 H LEU A 45 -0.129 3.581 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.708 6.046 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.562 6.751 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.101 5.138 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 45 1.971 5.920 -4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.436 8.348 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.920 7.980 -5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.873 8.621 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.202 6.946 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.666 7.153 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.271 5.519 -2.540 1.00 0.00 H new ATOM 713 N LYS A 46 -0.951 6.256 -7.591 1.00 0.00 N ATOM 714 CA LYS A 46 -0.467 6.818 -8.847 1.00 0.00 C ATOM 715 C LYS A 46 -1.553 7.581 -9.598 1.00 0.00 C ATOM 716 O LYS A 46 -1.857 8.724 -9.274 1.00 0.00 O ATOM 717 CB LYS A 46 0.185 5.769 -9.757 1.00 0.00 C ATOM 718 CG LYS A 46 0.985 6.382 -10.894 1.00 0.00 C ATOM 719 CD LYS A 46 1.487 5.338 -11.874 1.00 0.00 C ATOM 720 CE LYS A 46 2.359 5.974 -12.947 1.00 0.00 C ATOM 721 NZ LYS A 46 1.700 7.152 -13.577 1.00 0.00 N ATOM 0 H LYS A 46 -1.960 6.115 -7.540 1.00 0.00 H new ATOM 0 HA LYS A 46 0.308 7.530 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.841 5.135 -9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.590 5.124 -10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.364 7.105 -11.423 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.833 6.930 -10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.057 4.577 -11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.640 4.834 -12.340 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.308 6.282 -12.508 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.588 5.234 -13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.187 7.388 -14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.704 6.927 -13.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.748 7.964 -12.929 1.00 0.00 H new ATOM 735 N GLU A 47 -2.135 6.915 -10.599 1.00 0.00 N ATOM 736 CA GLU A 47 -3.192 7.484 -11.436 1.00 0.00 C ATOM 737 C GLU A 47 -4.108 6.366 -11.924 1.00 0.00 C ATOM 738 O GLU A 47 -5.260 6.252 -11.506 1.00 0.00 O ATOM 739 CB GLU A 47 -2.604 8.204 -12.655 1.00 0.00 C ATOM 740 CG GLU A 47 -1.823 9.466 -12.337 1.00 0.00 C ATOM 741 CD GLU A 47 -2.704 10.602 -11.863 1.00 0.00 C ATOM 742 OE1 GLU A 47 -3.887 10.652 -12.263 1.00 0.00 O ATOM 743 OE2 GLU A 47 -2.209 11.464 -11.109 1.00 0.00 O ATOM 0 H GLU A 47 -1.884 5.959 -10.852 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.750 8.204 -10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.949 7.513 -13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.417 8.459 -13.335 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.081 9.244 -11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.277 9.783 -13.226 1.00 0.00 H new ATOM 750 N ASN A 48 -3.572 5.541 -12.817 1.00 0.00 N ATOM 751 CA ASN A 48 -4.277 4.365 -13.326 1.00 0.00 C ATOM 752 C ASN A 48 -3.549 3.115 -12.835 1.00 0.00 C ATOM 753 O ASN A 48 -3.657 2.030 -13.403 1.00 0.00 O ATOM 754 CB ASN A 48 -4.312 4.407 -14.863 1.00 0.00 C ATOM 755 CG ASN A 48 -5.194 3.332 -15.486 1.00 0.00 C ATOM 756 OD1 ASN A 48 -6.286 2.986 -14.823 1.00 0.00 O flip ATOM 757 ND2 ASN A 48 -4.905 2.828 -16.574 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.639 5.666 -13.209 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.305 4.351 -12.964 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.668 5.386 -15.183 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.297 4.297 -15.244 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.056 3.116 -17.060 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.515 2.123 -16.988 1.00 0.00 H new ATOM 764 N LYS A 49 -2.820 3.299 -11.747 1.00 0.00 N ATOM 765 CA LYS A 49 -1.913 2.295 -11.215 1.00 0.00 C ATOM 766 C LYS A 49 -1.411 2.775 -9.852 1.00 0.00 C ATOM 767 O LYS A 49 -1.827 3.835 -9.393 1.00 0.00 O ATOM 768 CB LYS A 49 -0.747 2.096 -12.202 1.00 0.00 C ATOM 769 CG LYS A 49 0.374 1.222 -11.674 1.00 0.00 C ATOM 770 CD LYS A 49 1.543 1.124 -12.637 1.00 0.00 C ATOM 771 CE LYS A 49 1.173 0.395 -13.918 1.00 0.00 C ATOM 772 NZ LYS A 49 2.374 0.115 -14.746 1.00 0.00 N ATOM 0 H LYS A 49 -2.842 4.161 -11.201 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.418 1.337 -11.088 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.135 1.655 -13.120 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.338 3.072 -12.465 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.725 1.623 -10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.013 0.222 -11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.896 2.126 -12.880 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.369 0.605 -12.151 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.671 -0.541 -13.674 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.466 0.996 -14.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.089 -0.383 -15.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.839 1.011 -14.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.036 -0.479 -14.207 1.00 0.00 H new ATOM 786 N GLY A 50 -0.601 1.972 -9.178 1.00 0.00 N ATOM 787 CA GLY A 50 0.171 2.446 -8.058 1.00 0.00 C ATOM 788 C GLY A 50 0.628 1.292 -7.210 1.00 0.00 C ATOM 789 O GLY A 50 0.099 0.188 -7.341 1.00 0.00 O ATOM 0 H GLY A 50 -0.467 0.985 -9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.034 3.007 -8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.429 3.131 -7.459 1.00 0.00 H new ATOM 793 N GLN A 51 1.602 1.520 -6.357 1.00 0.00 N ATOM 794 CA GLN A 51 2.044 0.484 -5.449 1.00 0.00 C ATOM 795 C GLN A 51 2.382 1.037 -4.089 1.00 0.00 C ATOM 796 O GLN A 51 3.177 1.963 -3.941 1.00 0.00 O ATOM 797 CB GLN A 51 3.217 -0.304 -6.030 1.00 0.00 C ATOM 798 CG GLN A 51 4.272 0.553 -6.708 1.00 0.00 C ATOM 799 CD GLN A 51 5.206 -0.274 -7.567 1.00 0.00 C ATOM 800 OE1 GLN A 51 4.945 -0.495 -8.750 1.00 0.00 O ATOM 801 NE2 GLN A 51 6.305 -0.727 -6.987 1.00 0.00 N ATOM 0 H GLN A 51 2.100 2.406 -6.273 1.00 0.00 H new ATOM 0 HA GLN A 51 1.210 -0.206 -5.321 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.688 -0.874 -5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.833 -1.025 -6.751 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.785 1.308 -7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.850 1.084 -5.951 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.485 -0.522 -6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.973 -1.281 -7.523 1.00 0.00 H new ATOM 810 N ARG A 52 1.710 0.468 -3.110 1.00 0.00 N ATOM 811 CA ARG A 52 1.938 0.736 -1.709 1.00 0.00 C ATOM 812 C ARG A 52 1.636 -0.528 -0.962 1.00 0.00 C ATOM 813 O ARG A 52 0.480 -0.819 -0.667 1.00 0.00 O ATOM 814 CB ARG A 52 1.027 1.841 -1.188 1.00 0.00 C ATOM 815 CG ARG A 52 1.285 3.193 -1.784 1.00 0.00 C ATOM 816 CD ARG A 52 2.558 3.787 -1.213 1.00 0.00 C ATOM 817 NE ARG A 52 2.441 3.986 0.231 1.00 0.00 N ATOM 818 CZ ARG A 52 3.344 3.575 1.117 1.00 0.00 C ATOM 819 NH1 ARG A 52 4.494 3.070 0.700 1.00 0.00 N ATOM 820 NH2 ARG A 52 3.113 3.720 2.418 1.00 0.00 N ATOM 0 H ARG A 52 0.969 -0.213 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 52 2.968 1.063 -1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.009 1.563 -1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.140 1.907 -0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.369 3.110 -2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.443 3.855 -1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.399 3.127 -1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.769 4.739 -1.699 1.00 0.00 H new ATOM 0 HE ARG A 52 1.615 4.471 0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.686 2.997 -0.299 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.188 2.754 1.378 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.243 4.146 2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.806 3.405 3.097 1.00 0.00 H new ATOM 834 N CYS A 53 2.652 -1.307 -0.703 1.00 0.00 N ATOM 835 CA CYS A 53 2.428 -2.606 -0.133 1.00 0.00 C ATOM 836 C CYS A 53 2.806 -2.591 1.337 1.00 0.00 C ATOM 837 O CYS A 53 3.986 -2.531 1.683 1.00 0.00 O ATOM 838 CB CYS A 53 3.234 -3.646 -0.899 1.00 0.00 C ATOM 839 SG CYS A 53 3.362 -3.283 -2.682 1.00 0.00 S ATOM 0 H CYS A 53 3.629 -1.069 -0.875 1.00 0.00 H new ATOM 0 HA CYS A 53 1.373 -2.867 -0.210 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.236 -3.706 -0.474 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.773 -4.625 -0.766 1.00 0.00 H new ATOM 844 N LEU A 54 1.802 -2.602 2.194 1.00 0.00 N ATOM 845 CA LEU A 54 2.021 -2.514 3.626 1.00 0.00 C ATOM 846 C LEU A 54 1.562 -3.793 4.308 1.00 0.00 C ATOM 847 O LEU A 54 0.496 -4.324 3.995 1.00 0.00 O ATOM 848 CB LEU A 54 1.275 -1.305 4.201 1.00 0.00 C ATOM 849 CG LEU A 54 1.497 -1.046 5.694 1.00 0.00 C ATOM 850 CD1 LEU A 54 2.964 -0.759 5.980 1.00 0.00 C ATOM 851 CD2 LEU A 54 0.627 0.108 6.165 1.00 0.00 C ATOM 0 H LEU A 54 0.822 -2.671 1.921 1.00 0.00 H new ATOM 0 HA LEU A 54 3.088 -2.386 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.576 -0.416 3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.208 -1.442 4.028 1.00 0.00 H new ATOM 0 HG LEU A 54 1.213 -1.943 6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.098 -0.578 7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.568 -1.615 5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.278 0.122 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.796 0.280 7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.883 1.008 5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.422 -0.136 5.999 1.00 0.00 H new ATOM 863 N ASN A 55 2.370 -4.289 5.231 1.00 0.00 N ATOM 864 CA ASN A 55 2.035 -5.495 5.965 1.00 0.00 C ATOM 865 C ASN A 55 1.147 -5.145 7.154 1.00 0.00 C ATOM 866 O ASN A 55 1.297 -4.075 7.751 1.00 0.00 O ATOM 867 CB ASN A 55 3.304 -6.218 6.436 1.00 0.00 C ATOM 868 CG ASN A 55 4.157 -6.716 5.280 1.00 0.00 C ATOM 869 OD1 ASN A 55 3.958 -7.819 4.773 1.00 0.00 O ATOM 870 ND2 ASN A 55 5.138 -5.922 4.876 1.00 0.00 N ATOM 0 H ASN A 55 3.265 -3.873 5.489 1.00 0.00 H new ATOM 0 HA ASN A 55 1.492 -6.168 5.302 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.895 -5.542 7.054 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.024 -7.062 7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.757 -6.219 4.122 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.274 -5.013 5.319 1.00 0.00 H new ATOM 877 N PRO A 56 0.194 -6.030 7.489 1.00 0.00 N ATOM 878 CA PRO A 56 -0.759 -5.819 8.590 1.00 0.00 C ATOM 879 C PRO A 56 -0.100 -5.735 9.967 1.00 0.00 C ATOM 880 O PRO A 56 1.110 -5.534 10.078 1.00 0.00 O ATOM 881 CB PRO A 56 -1.678 -7.043 8.507 1.00 0.00 C ATOM 882 CG PRO A 56 -1.494 -7.559 7.125 1.00 0.00 C ATOM 883 CD PRO A 56 -0.058 -7.299 6.798 1.00 0.00 C ATOM 0 HA PRO A 56 -1.275 -4.865 8.484 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.406 -7.793 9.249 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.717 -6.772 8.693 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.725 -8.623 7.068 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.156 -7.051 6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.592 -8.095 7.160 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.106 -7.217 5.724 1.00 0.00 H new ATOM 891 N LYS A 57 -0.915 -5.913 11.009 1.00 0.00 N ATOM 892 CA LYS A 57 -0.498 -5.676 12.393 1.00 0.00 C ATOM 893 C LYS A 57 -0.239 -4.189 12.615 1.00 0.00 C ATOM 894 O LYS A 57 0.854 -3.690 12.334 1.00 0.00 O ATOM 895 CB LYS A 57 0.751 -6.486 12.773 1.00 0.00 C ATOM 896 CG LYS A 57 0.560 -7.994 12.741 1.00 0.00 C ATOM 897 CD LYS A 57 1.768 -8.702 13.336 1.00 0.00 C ATOM 898 CE LYS A 57 1.602 -10.214 13.343 1.00 0.00 C ATOM 899 NZ LYS A 57 1.667 -10.793 11.976 1.00 0.00 N ATOM 0 H LYS A 57 -1.882 -6.225 10.917 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.312 -6.009 13.037 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.561 -6.221 12.093 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.067 -6.194 13.775 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.337 -8.264 13.299 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.408 -8.325 11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.659 -8.439 12.766 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.927 -8.351 14.356 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.380 -10.660 13.962 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.646 -10.471 13.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.583 -11.828 12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.888 -10.414 11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.576 -10.543 11.536 1.00 0.00 H new ATOM 913 N SER A 58 -1.267 -3.480 13.086 1.00 0.00 N ATOM 914 CA SER A 58 -1.183 -2.042 13.331 1.00 0.00 C ATOM 915 C SER A 58 -0.861 -1.283 12.039 1.00 0.00 C ATOM 916 O SER A 58 -0.196 -0.247 12.059 1.00 0.00 O ATOM 917 CB SER A 58 -0.132 -1.752 14.411 1.00 0.00 C ATOM 918 OG SER A 58 -0.430 -2.456 15.610 1.00 0.00 O ATOM 0 H SER A 58 -2.176 -3.886 13.307 1.00 0.00 H new ATOM 0 HA SER A 58 -2.153 -1.695 13.686 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.855 -2.041 14.050 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.097 -0.681 14.612 1.00 0.00 H new ATOM 0 HG SER A 58 0.253 -2.258 16.284 1.00 0.00 H new ATOM 924 N LYS A 59 -1.363 -1.794 10.919 1.00 0.00 N ATOM 925 CA LYS A 59 -1.115 -1.180 9.621 1.00 0.00 C ATOM 926 C LYS A 59 -1.975 0.065 9.431 1.00 0.00 C ATOM 927 O LYS A 59 -3.158 0.076 9.781 1.00 0.00 O ATOM 928 CB LYS A 59 -1.377 -2.179 8.483 1.00 0.00 C ATOM 929 CG LYS A 59 -2.775 -2.786 8.484 1.00 0.00 C ATOM 930 CD LYS A 59 -3.031 -3.582 7.210 1.00 0.00 C ATOM 931 CE LYS A 59 -4.352 -4.337 7.261 1.00 0.00 C ATOM 932 NZ LYS A 59 -5.509 -3.435 7.510 1.00 0.00 N ATOM 0 H LYS A 59 -1.944 -2.632 10.885 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.066 -0.884 9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.214 -1.676 7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.645 -2.984 8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.892 -3.436 9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.518 -1.994 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.033 -2.906 6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.216 -4.289 7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.502 -4.866 6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.307 -5.091 8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.395 -3.969 7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.450 -3.053 8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.492 -2.651 6.826 1.00 0.00 H new ATOM 946 N GLN A 60 -1.380 1.107 8.853 1.00 0.00 N ATOM 947 CA GLN A 60 -2.094 2.356 8.581 1.00 0.00 C ATOM 948 C GLN A 60 -3.190 2.139 7.548 1.00 0.00 C ATOM 949 O GLN A 60 -4.079 2.974 7.387 1.00 0.00 O ATOM 950 CB GLN A 60 -1.132 3.433 8.074 1.00 0.00 C ATOM 951 CG GLN A 60 0.007 3.752 9.030 1.00 0.00 C ATOM 952 CD GLN A 60 -0.477 4.134 10.414 1.00 0.00 C ATOM 953 OE1 GLN A 60 -0.595 3.284 11.296 1.00 0.00 O ATOM 954 NE2 GLN A 60 -0.778 5.404 10.605 1.00 0.00 N ATOM 0 H GLN A 60 -0.402 1.112 8.563 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.544 2.688 9.517 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.712 3.110 7.121 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.696 4.346 7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.664 2.886 9.106 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.602 4.568 8.620 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.665 6.075 9.845 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.124 5.715 11.513 1.00 0.00 H new ATOM 963 N ALA A 61 -3.133 0.997 6.868 1.00 0.00 N ATOM 964 CA ALA A 61 -4.123 0.646 5.860 1.00 0.00 C ATOM 965 C ALA A 61 -5.501 0.481 6.488 1.00 0.00 C ATOM 966 O ALA A 61 -6.495 0.336 5.787 1.00 0.00 O ATOM 967 CB ALA A 61 -3.715 -0.624 5.131 1.00 0.00 C ATOM 0 H ALA A 61 -2.405 0.295 7.000 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.174 1.460 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.467 -0.871 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.753 -0.470 4.643 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.632 -1.443 5.845 1.00 0.00 H new ATOM 973 N ARG A 62 -5.544 0.506 7.816 1.00 0.00 N ATOM 974 CA ARG A 62 -6.797 0.477 8.551 1.00 0.00 C ATOM 975 C ARG A 62 -7.642 1.687 8.171 1.00 0.00 C ATOM 976 O ARG A 62 -8.816 1.566 7.829 1.00 0.00 O ATOM 977 CB ARG A 62 -6.514 0.492 10.059 1.00 0.00 C ATOM 978 CG ARG A 62 -7.764 0.439 10.929 1.00 0.00 C ATOM 979 CD ARG A 62 -8.312 -0.974 11.047 1.00 0.00 C ATOM 980 NE ARG A 62 -7.440 -1.839 11.844 1.00 0.00 N ATOM 981 CZ ARG A 62 -7.876 -2.863 12.575 1.00 0.00 C ATOM 982 NH1 ARG A 62 -9.174 -3.148 12.615 1.00 0.00 N ATOM 983 NH2 ARG A 62 -7.016 -3.600 13.267 1.00 0.00 N ATOM 0 H ARG A 62 -4.714 0.547 8.408 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.341 -0.433 8.299 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.876 -0.357 10.306 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.953 1.394 10.303 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.532 0.823 11.922 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.529 1.091 10.506 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.302 -0.941 11.501 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.432 -1.400 10.051 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.439 -1.646 11.839 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.837 -2.582 12.085 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.507 -3.933 13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.020 -3.382 13.239 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.351 -4.384 13.827 1.00 0.00 H new ATOM 997 N LEU A 63 -7.012 2.853 8.205 1.00 0.00 N ATOM 998 CA LEU A 63 -7.689 4.097 7.881 1.00 0.00 C ATOM 999 C LEU A 63 -7.662 4.336 6.386 1.00 0.00 C ATOM 1000 O LEU A 63 -8.300 5.260 5.876 1.00 0.00 O ATOM 1001 CB LEU A 63 -7.050 5.278 8.622 1.00 0.00 C ATOM 1002 CG LEU A 63 -7.287 5.323 10.138 1.00 0.00 C ATOM 1003 CD1 LEU A 63 -8.756 5.087 10.465 1.00 0.00 C ATOM 1004 CD2 LEU A 63 -6.403 4.317 10.859 1.00 0.00 C ATOM 0 H LEU A 63 -6.029 2.962 8.455 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.726 4.014 8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.975 5.257 8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.428 6.203 8.187 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.018 6.319 10.490 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.899 5.124 11.545 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.363 5.860 9.992 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.059 4.109 10.092 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.591 4.370 11.931 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.628 3.312 10.500 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.356 4.547 10.663 1.00 0.00 H new ATOM 1016 N ILE A 64 -6.932 3.487 5.688 1.00 0.00 N ATOM 1017 CA ILE A 64 -6.864 3.563 4.246 1.00 0.00 C ATOM 1018 C ILE A 64 -7.986 2.725 3.631 1.00 0.00 C ATOM 1019 O ILE A 64 -8.317 2.856 2.452 1.00 0.00 O ATOM 1020 CB ILE A 64 -5.483 3.107 3.719 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -4.359 3.864 4.437 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -5.373 3.330 2.217 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -4.431 5.369 4.278 1.00 0.00 C ATOM 0 H ILE A 64 -6.378 2.736 6.100 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.994 4.604 3.950 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.383 2.041 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.390 3.619 5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.399 3.514 4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.393 3.001 1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.148 2.759 1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.499 4.390 1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.602 5.832 4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.368 5.627 3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.375 5.733 4.684 1.00 0.00 H new ATOM 1035 N ILE A 65 -8.596 1.885 4.456 1.00 0.00 N ATOM 1036 CA ILE A 65 -9.788 1.150 4.054 1.00 0.00 C ATOM 1037 C ILE A 65 -10.932 2.120 3.867 1.00 0.00 C ATOM 1038 O ILE A 65 -11.705 2.018 2.919 1.00 0.00 O ATOM 1039 CB ILE A 65 -10.183 0.079 5.094 1.00 0.00 C ATOM 1040 CG1 ILE A 65 -9.214 -1.108 5.041 1.00 0.00 C ATOM 1041 CG2 ILE A 65 -11.617 -0.379 4.868 1.00 0.00 C ATOM 1042 CD1 ILE A 65 -9.179 -1.814 3.702 1.00 0.00 C ATOM 0 H ILE A 65 -8.285 1.695 5.409 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.567 0.637 3.118 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.120 0.522 6.088 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -8.211 -0.756 5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -9.493 -1.826 5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.879 -1.134 5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.290 0.473 4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -11.710 -0.804 3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -8.470 -2.641 3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -10.172 -2.198 3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.870 -1.111 2.928 1.00 0.00 H new ATOM 1054 N LYS A 66 -11.005 3.096 4.754 1.00 0.00 N ATOM 1055 CA LYS A 66 -12.018 4.124 4.654 1.00 0.00 C ATOM 1056 C LYS A 66 -11.664 5.099 3.538 1.00 0.00 C ATOM 1057 O LYS A 66 -12.409 6.033 3.248 1.00 0.00 O ATOM 1058 CB LYS A 66 -12.172 4.857 5.989 1.00 0.00 C ATOM 1059 CG LYS A 66 -12.567 3.940 7.134 1.00 0.00 C ATOM 1060 CD LYS A 66 -13.887 3.236 6.856 1.00 0.00 C ATOM 1061 CE LYS A 66 -14.226 2.234 7.946 1.00 0.00 C ATOM 1062 NZ LYS A 66 -15.530 1.562 7.701 1.00 0.00 N ATOM 0 H LYS A 66 -10.375 3.196 5.550 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.973 3.656 4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -11.232 5.351 6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.924 5.639 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.785 3.198 7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.649 4.519 8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.685 3.975 6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.832 2.725 5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.438 1.484 8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.256 2.743 8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.722 0.887 8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.287 2.274 7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.494 1.054 6.794 1.00 0.00 H new ATOM 1076 N LYS A 67 -10.515 4.867 2.921 1.00 0.00 N ATOM 1077 CA LYS A 67 -10.096 5.652 1.773 1.00 0.00 C ATOM 1078 C LYS A 67 -10.577 4.964 0.514 1.00 0.00 C ATOM 1079 O LYS A 67 -11.001 5.608 -0.441 1.00 0.00 O ATOM 1080 CB LYS A 67 -8.577 5.834 1.741 1.00 0.00 C ATOM 1081 CG LYS A 67 -8.027 6.580 2.946 1.00 0.00 C ATOM 1082 CD LYS A 67 -8.526 8.013 2.993 1.00 0.00 C ATOM 1083 CE LYS A 67 -8.098 8.710 4.275 1.00 0.00 C ATOM 1084 NZ LYS A 67 -8.722 8.091 5.475 1.00 0.00 N ATOM 0 H LYS A 67 -9.856 4.139 3.198 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.535 6.647 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.103 4.854 1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.303 6.374 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.320 6.062 3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.938 6.575 2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.141 8.562 2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.613 8.024 2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.013 8.668 4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.373 9.764 4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.531 8.682 6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.749 8.016 5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.323 7.142 5.624 1.00 0.00 H new ATOM 1098 N VAL A 68 -10.513 3.639 0.534 1.00 0.00 N ATOM 1099 CA VAL A 68 -11.122 2.835 -0.509 1.00 0.00 C ATOM 1100 C VAL A 68 -12.629 2.994 -0.426 1.00 0.00 C ATOM 1101 O VAL A 68 -13.344 2.934 -1.428 1.00 0.00 O ATOM 1102 CB VAL A 68 -10.789 1.336 -0.355 1.00 0.00 C ATOM 1103 CG1 VAL A 68 -11.416 0.521 -1.475 1.00 0.00 C ATOM 1104 CG2 VAL A 68 -9.298 1.117 -0.304 1.00 0.00 C ATOM 0 H VAL A 68 -10.044 3.101 1.263 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.730 3.178 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.213 0.995 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.166 -0.532 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.499 0.643 -1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.033 0.867 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.090 0.053 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.845 1.483 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.880 1.657 0.545 1.00 0.00 H new ATOM 1114 N GLU A 69 -13.091 3.214 0.798 1.00 0.00 N ATOM 1115 CA GLU A 69 -14.503 3.325 1.084 1.00 0.00 C ATOM 1116 C GLU A 69 -15.058 4.632 0.524 1.00 0.00 C ATOM 1117 O GLU A 69 -16.269 4.806 0.393 1.00 0.00 O ATOM 1118 CB GLU A 69 -14.722 3.257 2.596 1.00 0.00 C ATOM 1119 CG GLU A 69 -16.178 3.160 2.991 1.00 0.00 C ATOM 1120 CD GLU A 69 -16.819 1.879 2.508 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -17.158 1.793 1.312 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -16.971 0.942 3.318 1.00 0.00 O ATOM 0 H GLU A 69 -12.492 3.320 1.616 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.032 2.499 0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.188 2.394 2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.287 4.143 3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.263 3.219 4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.721 4.012 2.582 1.00 0.00 H new ATOM 1129 N ARG A 70 -14.161 5.547 0.189 1.00 0.00 N ATOM 1130 CA ARG A 70 -14.558 6.845 -0.326 1.00 0.00 C ATOM 1131 C ARG A 70 -14.822 6.778 -1.827 1.00 0.00 C ATOM 1132 O ARG A 70 -13.897 6.837 -2.638 1.00 0.00 O ATOM 1133 CB ARG A 70 -13.483 7.893 -0.035 1.00 0.00 C ATOM 1134 CG ARG A 70 -13.828 9.280 -0.552 1.00 0.00 C ATOM 1135 CD ARG A 70 -12.690 10.257 -0.323 1.00 0.00 C ATOM 1136 NE ARG A 70 -12.960 11.560 -0.925 1.00 0.00 N ATOM 1137 CZ ARG A 70 -12.044 12.297 -1.549 1.00 0.00 C ATOM 1138 NH1 ARG A 70 -10.795 11.855 -1.665 1.00 0.00 N ATOM 1139 NH2 ARG A 70 -12.384 13.469 -2.067 1.00 0.00 N ATOM 0 H ARG A 70 -13.153 5.413 0.265 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.480 7.135 0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -13.321 7.946 1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -12.543 7.571 -0.483 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.055 9.227 -1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.726 9.643 -0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.526 10.379 0.748 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.771 9.848 -0.741 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.909 11.928 -0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.537 10.949 -1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.096 12.422 -2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.344 13.803 -1.987 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.685 14.037 -2.546 1.00 0.00 H new ATOM 1153 N LYS A 71 -16.089 6.631 -2.187 1.00 0.00 N ATOM 1154 CA LYS A 71 -16.505 6.709 -3.582 1.00 0.00 C ATOM 1155 C LYS A 71 -17.422 7.910 -3.765 1.00 0.00 C ATOM 1156 O LYS A 71 -18.125 8.035 -4.771 1.00 0.00 O ATOM 1157 CB LYS A 71 -17.217 5.422 -4.032 1.00 0.00 C ATOM 1158 CG LYS A 71 -18.457 5.063 -3.222 1.00 0.00 C ATOM 1159 CD LYS A 71 -18.124 4.139 -2.065 1.00 0.00 C ATOM 1160 CE LYS A 71 -19.358 3.824 -1.233 1.00 0.00 C ATOM 1161 NZ LYS A 71 -19.097 2.768 -0.221 1.00 0.00 N ATOM 0 H LYS A 71 -16.850 6.456 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.616 6.824 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.502 5.528 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -16.511 4.594 -3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -18.918 5.974 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -19.190 4.584 -3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.696 3.213 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.366 4.603 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -19.697 4.730 -0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -20.166 3.503 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -19.733 2.901 0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -19.266 1.833 -0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.109 2.830 0.099 1.00 0.00 H new ATOM 1175 N ASN A 72 -17.390 8.797 -2.781 1.00 0.00 N ATOM 1176 CA ASN A 72 -18.244 9.970 -2.765 1.00 0.00 C ATOM 1177 C ASN A 72 -17.592 11.077 -1.948 1.00 0.00 C ATOM 1178 O ASN A 72 -16.936 10.801 -0.943 1.00 0.00 O ATOM 1179 CB ASN A 72 -19.619 9.619 -2.173 1.00 0.00 C ATOM 1180 CG ASN A 72 -19.529 9.041 -0.767 1.00 0.00 C ATOM 1181 OD1 ASN A 72 -19.651 9.894 0.241 1.00 0.00 O flip ATOM 1182 ND2 ASN A 72 -19.366 7.831 -0.589 1.00 0.00 N flip ATOM 0 H ASN A 72 -16.771 8.722 -1.974 1.00 0.00 H new ATOM 0 HA ASN A 72 -18.382 10.318 -3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -20.240 10.515 -2.153 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -20.117 8.901 -2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -19.276 7.205 -1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -19.321 7.456 0.359 1.00 0.00 H new ATOM 1189 N PHE A 73 -17.758 12.318 -2.407 1.00 0.00 N ATOM 1190 CA PHE A 73 -17.263 13.500 -1.696 1.00 0.00 C ATOM 1191 C PHE A 73 -15.741 13.475 -1.555 1.00 0.00 C ATOM 1192 O PHE A 73 -15.054 13.945 -2.485 1.00 0.00 O ATOM 1193 CB PHE A 73 -17.933 13.634 -0.321 1.00 0.00 C ATOM 1194 CG PHE A 73 -19.393 14.002 -0.389 1.00 0.00 C ATOM 1195 CD1 PHE A 73 -20.368 13.026 -0.531 1.00 0.00 C ATOM 1196 CD2 PHE A 73 -19.785 15.330 -0.315 1.00 0.00 C ATOM 1197 CE1 PHE A 73 -21.704 13.368 -0.598 1.00 0.00 C ATOM 1198 CE2 PHE A 73 -21.121 15.677 -0.380 1.00 0.00 C ATOM 1199 CZ PHE A 73 -22.081 14.696 -0.522 1.00 0.00 C ATOM 1200 OXT PHE A 73 -15.232 12.997 -0.518 1.00 0.00 O ATOM 0 H PHE A 73 -18.238 12.533 -3.281 1.00 0.00 H new ATOM 0 HA PHE A 73 -17.526 14.373 -2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -17.830 12.691 0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -17.404 14.390 0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -20.079 11.987 -0.590 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -19.038 16.102 -0.205 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -22.454 12.599 -0.710 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -21.413 16.715 -0.320 1.00 0.00 H new ATOM 0 HZ PHE A 73 -23.126 14.965 -0.574 1.00 0.00 H new TER 1210 PHE A 73