USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 633 hydrogens (5 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 75 LYS NZ :NH3+ -121:sc= -0.219 (180deg=-0.541) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -172:sc= -0.097 (180deg=-0.0775) USER MOD Set 2.1: A 44 ASN : amide:sc= -1.29 X(o=-2.2,f=-2.5) USER MOD Set 2.2: A 51 LYS NZ :NH3+ -130:sc= -0.952 (180deg=-4.04!) USER MOD Set 3.1: A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 38 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.449) USER MOD Single : A 3 ASN : amide:sc= -0.0786 X(o=-0.079,f=-0.079) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.186 (180deg=-0.857) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -7:sc= 0.45 USER MOD Single : A 19 TYR OH : rot 15:sc= 0.483 USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= -0.0959 (180deg=-0.566) USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.0497 (180deg=-0.418) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= -0.176 (180deg=-0.908) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.155 F(o=-0.76,f=-0.15) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.88 X(o=-1.9,f=-2.2!) USER MOD Single : A 54 TYR OH : rot -39:sc= 0.161 USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= -0.0246 (180deg=-0.377) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= -0.0897 (180deg=-0.538) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 30:sc= 0.0838 USER MOD Single : A 82 BME O1 : rot -112:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 -4.187 -9.118 7.266 1.00 0.00 N ATOM 2 CA ASN A 3 -4.643 -9.955 6.118 1.00 0.00 C ATOM 3 C ASN A 3 -4.407 -9.265 4.751 1.00 0.00 C ATOM 4 O ASN A 3 -5.357 -8.841 4.119 1.00 0.00 O ATOM 5 CB ASN A 3 -6.145 -10.267 6.345 1.00 0.00 C ATOM 6 CG ASN A 3 -6.655 -11.221 5.253 1.00 0.00 C ATOM 7 OD1 ASN A 3 -6.214 -12.347 5.137 1.00 0.00 O ATOM 8 ND2 ASN A 3 -7.580 -10.810 4.429 1.00 0.00 N ATOM 0 HA ASN A 3 -4.060 -10.875 6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -6.287 -10.717 7.328 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -6.723 -9.343 6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -7.925 -11.432 3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.958 -9.867 4.516 1.00 0.00 H new ATOM 15 N ALA A 4 -3.151 -9.170 4.365 1.00 0.00 N ATOM 16 CA ALA A 4 -2.668 -8.549 3.081 1.00 0.00 C ATOM 17 C ALA A 4 -2.252 -7.093 3.316 1.00 0.00 C ATOM 18 O ALA A 4 -2.980 -6.354 3.948 1.00 0.00 O ATOM 19 CB ALA A 4 -3.749 -8.536 1.963 1.00 0.00 C ATOM 0 H ALA A 4 -2.385 -9.527 4.936 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.829 -9.165 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.338 -8.076 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.054 -9.558 1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.614 -7.965 2.300 1.00 0.00 H new ATOM 25 N PRO A 5 -1.102 -6.702 2.810 1.00 0.00 N ATOM 26 CA PRO A 5 -0.782 -5.274 2.557 1.00 0.00 C ATOM 27 C PRO A 5 -1.559 -4.811 1.310 1.00 0.00 C ATOM 28 O PRO A 5 -1.238 -5.177 0.195 1.00 0.00 O ATOM 29 CB PRO A 5 0.733 -5.279 2.406 1.00 0.00 C ATOM 30 CG PRO A 5 0.975 -6.631 1.676 1.00 0.00 C ATOM 31 CD PRO A 5 0.036 -7.597 2.433 1.00 0.00 C ATOM 0 HA PRO A 5 -1.073 -4.571 3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.089 -4.430 1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.240 -5.238 3.370 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.725 -6.570 0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.017 -6.945 1.740 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.289 -8.425 1.804 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.519 -8.032 3.308 1.00 0.00 H new ATOM 39 N LYS A 6 -2.566 -4.016 1.551 1.00 0.00 N ATOM 40 CA LYS A 6 -3.421 -3.478 0.450 1.00 0.00 C ATOM 41 C LYS A 6 -2.909 -2.069 0.155 1.00 0.00 C ATOM 42 O LYS A 6 -3.076 -1.167 0.956 1.00 0.00 O ATOM 43 CB LYS A 6 -4.900 -3.391 0.897 1.00 0.00 C ATOM 44 CG LYS A 6 -5.804 -3.057 -0.336 1.00 0.00 C ATOM 45 CD LYS A 6 -7.101 -2.321 0.114 1.00 0.00 C ATOM 46 CE LYS A 6 -6.998 -0.798 -0.172 1.00 0.00 C ATOM 47 NZ LYS A 6 -5.713 -0.229 0.329 1.00 0.00 N ATOM 0 H LYS A 6 -2.839 -3.709 2.485 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.370 -4.127 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.211 -4.335 1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.014 -2.624 1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.252 -2.434 -1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.065 -3.976 -0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.961 -2.737 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.267 -2.485 1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.080 -0.623 -1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.834 -0.282 0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.802 0.803 0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.490 -0.640 1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.950 -0.453 -0.341 1.00 0.00 H new ATOM 61 N ARG A 7 -2.299 -1.966 -0.997 1.00 0.00 N ATOM 62 CA ARG A 7 -1.704 -0.703 -1.535 1.00 0.00 C ATOM 63 C ARG A 7 -1.835 0.551 -0.626 1.00 0.00 C ATOM 64 O ARG A 7 -2.805 1.277 -0.726 1.00 0.00 O ATOM 65 CB ARG A 7 -2.360 -0.462 -2.920 1.00 0.00 C ATOM 66 CG ARG A 7 -1.669 0.715 -3.648 1.00 0.00 C ATOM 67 CD ARG A 7 -2.063 0.684 -5.135 1.00 0.00 C ATOM 68 NE ARG A 7 -1.323 1.776 -5.837 1.00 0.00 N ATOM 69 CZ ARG A 7 -1.962 2.620 -6.601 1.00 0.00 C ATOM 70 NH1 ARG A 7 -2.734 3.519 -6.058 1.00 0.00 N ATOM 71 NH2 ARG A 7 -1.800 2.529 -7.893 1.00 0.00 N ATOM 0 H ARG A 7 -2.183 -2.760 -1.626 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.625 -0.844 -1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.287 -1.365 -3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.421 -0.247 -2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.967 1.663 -3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.587 0.639 -3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.818 -0.284 -5.573 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.139 0.821 -5.246 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.314 1.862 -5.719 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.835 3.559 -5.044 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.237 4.182 -6.647 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.187 1.812 -8.281 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.287 3.175 -8.515 1.00 0.00 H new ATOM 85 N PRO A 8 -0.863 0.768 0.238 1.00 0.00 N ATOM 86 CA PRO A 8 -0.891 1.878 1.244 1.00 0.00 C ATOM 87 C PRO A 8 -0.682 3.247 0.537 1.00 0.00 C ATOM 88 O PRO A 8 -0.491 3.248 -0.664 1.00 0.00 O ATOM 89 CB PRO A 8 0.226 1.475 2.221 1.00 0.00 C ATOM 90 CG PRO A 8 1.260 0.803 1.297 1.00 0.00 C ATOM 91 CD PRO A 8 0.392 -0.037 0.345 1.00 0.00 C ATOM 0 HA PRO A 8 -1.836 2.010 1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.645 2.340 2.736 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.135 0.791 2.989 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.854 1.539 0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.958 0.182 1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.870 -0.171 -0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.200 -1.032 0.746 1.00 0.00 H new ATOM 99 N PRO A 9 -0.727 4.354 1.264 1.00 0.00 N ATOM 100 CA PRO A 9 -0.424 5.733 0.773 1.00 0.00 C ATOM 101 C PRO A 9 0.387 5.937 -0.503 1.00 0.00 C ATOM 102 O PRO A 9 1.190 5.131 -0.933 1.00 0.00 O ATOM 103 CB PRO A 9 0.225 6.417 2.005 1.00 0.00 C ATOM 104 CG PRO A 9 0.028 5.413 3.190 1.00 0.00 C ATOM 105 CD PRO A 9 -1.066 4.447 2.708 1.00 0.00 C ATOM 0 HA PRO A 9 -1.357 6.168 0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.282 6.617 1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.250 7.375 2.218 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.953 4.882 3.417 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.274 5.930 4.101 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.016 3.480 3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.069 4.840 2.874 1.00 0.00 H new ATOM 113 N SER A 10 0.109 7.091 -1.039 1.00 0.00 N ATOM 114 CA SER A 10 0.736 7.570 -2.287 1.00 0.00 C ATOM 115 C SER A 10 1.783 8.604 -1.876 1.00 0.00 C ATOM 116 O SER A 10 2.633 8.326 -1.054 1.00 0.00 O ATOM 117 CB SER A 10 -0.393 8.166 -3.166 1.00 0.00 C ATOM 118 OG SER A 10 -1.282 7.080 -3.380 1.00 0.00 O ATOM 0 H SER A 10 -0.561 7.747 -0.637 1.00 0.00 H new ATOM 0 HA SER A 10 1.231 6.790 -2.866 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.892 8.995 -2.664 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.002 8.552 -4.108 1.00 0.00 H new ATOM 0 HG SER A 10 -2.034 7.377 -3.933 1.00 0.00 H new ATOM 124 N ALA A 11 1.666 9.764 -2.456 1.00 0.00 N ATOM 125 CA ALA A 11 2.590 10.900 -2.200 1.00 0.00 C ATOM 126 C ALA A 11 1.757 12.050 -1.673 1.00 0.00 C ATOM 127 O ALA A 11 2.154 12.741 -0.756 1.00 0.00 O ATOM 128 CB ALA A 11 3.274 11.290 -3.502 1.00 0.00 C ATOM 0 H ALA A 11 0.931 9.979 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 11 3.359 10.632 -1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.953 12.123 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.837 10.439 -3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.522 11.587 -4.233 1.00 0.00 H new ATOM 134 N PHE A 12 0.604 12.224 -2.269 1.00 0.00 N ATOM 135 CA PHE A 12 -0.263 13.318 -1.809 1.00 0.00 C ATOM 136 C PHE A 12 -1.098 12.778 -0.663 1.00 0.00 C ATOM 137 O PHE A 12 -1.933 13.478 -0.147 1.00 0.00 O ATOM 138 CB PHE A 12 -1.105 13.781 -3.003 1.00 0.00 C ATOM 139 CG PHE A 12 -2.479 13.175 -3.263 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.547 13.524 -2.468 1.00 0.00 C ATOM 141 CD2 PHE A 12 -2.676 12.308 -4.312 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.798 13.023 -2.705 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.929 11.803 -4.559 1.00 0.00 C ATOM 144 CZ PHE A 12 -4.999 12.155 -3.758 1.00 0.00 C ATOM 0 H PHE A 12 0.242 11.661 -3.039 1.00 0.00 H new ATOM 0 HA PHE A 12 0.290 14.184 -1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.242 14.858 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.507 13.619 -3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.395 14.205 -1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.846 12.024 -4.941 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.625 13.306 -2.070 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.080 11.125 -5.386 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.983 11.754 -3.955 1.00 0.00 H new ATOM 154 N PHE A 13 -0.856 11.552 -0.263 1.00 0.00 N ATOM 155 CA PHE A 13 -1.651 10.991 0.861 1.00 0.00 C ATOM 156 C PHE A 13 -1.210 11.769 2.111 1.00 0.00 C ATOM 157 O PHE A 13 -2.025 12.204 2.897 1.00 0.00 O ATOM 158 CB PHE A 13 -1.337 9.515 1.032 1.00 0.00 C ATOM 159 CG PHE A 13 -2.386 8.913 1.979 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.625 8.558 1.481 1.00 0.00 C ATOM 161 CD2 PHE A 13 -2.120 8.729 3.321 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.588 8.026 2.310 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.083 8.197 4.154 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.317 7.844 3.649 1.00 0.00 C ATOM 0 H PHE A 13 -0.154 10.929 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.723 11.083 0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.358 9.007 0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.335 9.383 1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.840 8.699 0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.155 9.002 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.554 7.752 1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.870 8.057 5.203 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.069 7.426 4.301 1.00 0.00 H new ATOM 174 N LEU A 14 0.086 11.923 2.236 1.00 0.00 N ATOM 175 CA LEU A 14 0.670 12.656 3.395 1.00 0.00 C ATOM 176 C LEU A 14 0.017 14.057 3.402 1.00 0.00 C ATOM 177 O LEU A 14 -0.618 14.479 4.350 1.00 0.00 O ATOM 178 CB LEU A 14 2.223 12.746 3.205 1.00 0.00 C ATOM 179 CG LEU A 14 3.009 11.371 3.021 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.546 10.219 3.951 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.089 10.873 1.552 1.00 0.00 C ATOM 0 H LEU A 14 0.772 11.565 1.571 1.00 0.00 H new ATOM 0 HA LEU A 14 0.482 12.155 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.422 13.370 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.641 13.262 4.069 1.00 0.00 H new ATOM 0 HG LEU A 14 4.016 11.644 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.140 9.328 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.678 10.516 4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.494 10.003 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.640 9.933 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.082 10.719 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.602 11.617 0.943 1.00 0.00 H new ATOM 193 N PHE A 15 0.211 14.730 2.301 1.00 0.00 N ATOM 194 CA PHE A 15 -0.336 16.108 2.072 1.00 0.00 C ATOM 195 C PHE A 15 -1.843 16.154 2.434 1.00 0.00 C ATOM 196 O PHE A 15 -2.292 16.953 3.230 1.00 0.00 O ATOM 197 CB PHE A 15 0.010 16.376 0.595 1.00 0.00 C ATOM 198 CG PHE A 15 -0.870 17.343 -0.202 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.996 16.863 -0.846 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.532 18.677 -0.319 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.774 17.706 -1.605 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.311 19.521 -1.079 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.429 19.034 -1.722 1.00 0.00 C ATOM 0 H PHE A 15 0.750 14.368 1.514 1.00 0.00 H new ATOM 0 HA PHE A 15 0.084 16.893 2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.032 16.752 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.004 15.418 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.266 15.821 -0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.343 19.058 0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.652 17.328 -2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.046 20.564 -1.171 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.037 19.697 -2.320 1.00 0.00 H new ATOM 213 N CYS A 16 -2.579 15.272 1.818 1.00 0.00 N ATOM 214 CA CYS A 16 -4.052 15.139 2.030 1.00 0.00 C ATOM 215 C CYS A 16 -4.375 15.181 3.512 1.00 0.00 C ATOM 216 O CYS A 16 -5.144 16.005 3.964 1.00 0.00 O ATOM 217 CB CYS A 16 -4.542 13.794 1.446 1.00 0.00 C ATOM 218 SG CYS A 16 -6.236 13.287 1.847 1.00 0.00 S ATOM 0 H CYS A 16 -2.202 14.606 1.144 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.553 15.967 1.528 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.452 13.844 0.361 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.865 13.011 1.787 1.00 0.00 H new ATOM 223 N SER A 17 -3.753 14.265 4.210 1.00 0.00 N ATOM 224 CA SER A 17 -3.958 14.163 5.672 1.00 0.00 C ATOM 225 C SER A 17 -3.738 15.507 6.356 1.00 0.00 C ATOM 226 O SER A 17 -4.613 15.998 7.042 1.00 0.00 O ATOM 227 CB SER A 17 -2.985 13.140 6.243 1.00 0.00 C ATOM 228 OG SER A 17 -3.310 11.928 5.576 1.00 0.00 O ATOM 0 H SER A 17 -3.107 13.580 3.818 1.00 0.00 H new ATOM 0 HA SER A 17 -4.986 13.852 5.855 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.951 13.430 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.100 13.042 7.322 1.00 0.00 H new ATOM 0 HG SER A 17 -4.121 12.057 5.040 1.00 0.00 H new ATOM 234 N GLU A 18 -2.561 16.033 6.118 1.00 0.00 N ATOM 235 CA GLU A 18 -2.110 17.340 6.675 1.00 0.00 C ATOM 236 C GLU A 18 -3.261 18.333 6.811 1.00 0.00 C ATOM 237 O GLU A 18 -3.399 18.952 7.849 1.00 0.00 O ATOM 238 CB GLU A 18 -1.008 17.895 5.756 1.00 0.00 C ATOM 239 CG GLU A 18 -0.317 19.108 6.412 1.00 0.00 C ATOM 240 CD GLU A 18 0.901 19.527 5.565 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.696 19.846 4.403 1.00 0.00 O ATOM 242 OE2 GLU A 18 1.978 19.501 6.138 1.00 0.00 O ATOM 0 H GLU A 18 -1.862 15.581 5.528 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.721 17.186 7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.272 17.117 5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.438 18.188 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.018 19.938 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.000 18.856 7.424 1.00 0.00 H new ATOM 249 N TYR A 19 -4.052 18.460 5.764 1.00 0.00 N ATOM 250 CA TYR A 19 -5.191 19.426 5.856 1.00 0.00 C ATOM 251 C TYR A 19 -6.527 18.862 5.364 1.00 0.00 C ATOM 252 O TYR A 19 -7.323 19.537 4.739 1.00 0.00 O ATOM 253 CB TYR A 19 -4.788 20.689 5.072 1.00 0.00 C ATOM 254 CG TYR A 19 -4.712 20.517 3.554 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.781 19.702 2.935 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.608 21.225 2.782 1.00 0.00 C ATOM 257 CE1 TYR A 19 -3.758 19.613 1.555 1.00 0.00 C ATOM 258 CE2 TYR A 19 -5.586 21.137 1.414 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.662 20.335 0.791 1.00 0.00 C ATOM 260 OH TYR A 19 -4.652 20.286 -0.585 1.00 0.00 O ATOM 0 H TYR A 19 -3.961 17.955 4.882 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.368 19.654 6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.503 21.480 5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.816 21.026 5.432 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.075 19.138 3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.339 21.859 3.262 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.032 18.978 1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.296 21.699 0.826 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.115 19.522 -0.881 1.00 0.00 H new ATOM 270 N ARG A 20 -6.741 17.615 5.689 1.00 0.00 N ATOM 271 CA ARG A 20 -8.001 16.943 5.282 1.00 0.00 C ATOM 272 C ARG A 20 -9.148 17.612 6.064 1.00 0.00 C ATOM 273 O ARG A 20 -10.104 18.004 5.433 1.00 0.00 O ATOM 274 CB ARG A 20 -7.848 15.405 5.585 1.00 0.00 C ATOM 275 CG ARG A 20 -9.194 14.619 5.572 1.00 0.00 C ATOM 276 CD ARG A 20 -9.946 14.718 6.926 1.00 0.00 C ATOM 277 NE ARG A 20 -9.034 14.250 8.016 1.00 0.00 N ATOM 278 CZ ARG A 20 -9.375 13.245 8.774 1.00 0.00 C ATOM 279 NH1 ARG A 20 -9.252 12.032 8.308 1.00 0.00 N ATOM 280 NH2 ARG A 20 -9.828 13.485 9.973 1.00 0.00 N ATOM 0 H ARG A 20 -6.093 17.034 6.221 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.221 17.041 4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.175 14.965 4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.377 15.282 6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.831 15.006 4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.998 13.571 5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.259 15.746 7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.850 14.109 6.902 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.141 14.719 8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.894 11.882 7.365 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.514 11.234 8.887 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.911 14.446 10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.100 12.711 10.580 1.00 0.00 H new ATOM 294 N PRO A 21 -9.063 17.763 7.374 1.00 0.00 N ATOM 295 CA PRO A 21 -10.195 18.289 8.199 1.00 0.00 C ATOM 296 C PRO A 21 -10.669 19.652 7.668 1.00 0.00 C ATOM 297 O PRO A 21 -11.843 19.960 7.646 1.00 0.00 O ATOM 298 CB PRO A 21 -9.625 18.348 9.623 1.00 0.00 C ATOM 299 CG PRO A 21 -8.551 17.235 9.598 1.00 0.00 C ATOM 300 CD PRO A 21 -7.885 17.459 8.238 1.00 0.00 C ATOM 0 HA PRO A 21 -11.088 17.665 8.165 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.194 19.324 9.848 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.390 18.157 10.375 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.842 17.335 10.420 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.992 16.241 9.677 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.171 18.282 8.262 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.343 16.577 7.897 1.00 0.00 H new ATOM 308 N LYS A 22 -9.692 20.413 7.257 1.00 0.00 N ATOM 309 CA LYS A 22 -9.896 21.784 6.701 1.00 0.00 C ATOM 310 C LYS A 22 -10.798 21.831 5.452 1.00 0.00 C ATOM 311 O LYS A 22 -11.690 22.658 5.367 1.00 0.00 O ATOM 312 CB LYS A 22 -8.503 22.364 6.362 1.00 0.00 C ATOM 313 CG LYS A 22 -8.406 23.884 6.635 1.00 0.00 C ATOM 314 CD LYS A 22 -8.464 24.125 8.168 1.00 0.00 C ATOM 315 CE LYS A 22 -8.005 25.551 8.519 1.00 0.00 C ATOM 316 NZ LYS A 22 -6.572 25.737 8.156 1.00 0.00 N ATOM 0 H LYS A 22 -8.714 20.126 7.286 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.416 22.373 7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.745 21.845 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.280 22.173 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.477 24.282 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.223 24.409 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.481 23.968 8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.831 23.399 8.678 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.619 26.279 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.144 25.733 9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.168 26.511 8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.049 24.859 8.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.497 25.971 7.145 1.00 0.00 H new ATOM 330 N ILE A 23 -10.577 20.935 4.517 1.00 0.00 N ATOM 331 CA ILE A 23 -11.418 20.960 3.280 1.00 0.00 C ATOM 332 C ILE A 23 -12.684 20.185 3.541 1.00 0.00 C ATOM 333 O ILE A 23 -13.736 20.497 3.033 1.00 0.00 O ATOM 334 CB ILE A 23 -10.630 20.340 2.077 1.00 0.00 C ATOM 335 CG1 ILE A 23 -10.033 18.940 2.404 1.00 0.00 C ATOM 336 CG2 ILE A 23 -9.502 21.328 1.684 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.604 18.248 1.093 1.00 0.00 C ATOM 0 H ILE A 23 -9.867 20.204 4.555 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.668 21.989 3.023 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.324 20.187 1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.177 19.044 3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.771 18.330 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.936 20.920 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.940 22.284 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.836 21.476 2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.186 17.267 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.471 18.131 0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.852 18.856 0.590 1.00 0.00 H new ATOM 349 N LYS A 24 -12.518 19.183 4.347 1.00 0.00 N ATOM 350 CA LYS A 24 -13.610 18.277 4.766 1.00 0.00 C ATOM 351 C LYS A 24 -14.670 19.132 5.493 1.00 0.00 C ATOM 352 O LYS A 24 -15.855 18.864 5.438 1.00 0.00 O ATOM 353 CB LYS A 24 -12.946 17.273 5.660 1.00 0.00 C ATOM 354 CG LYS A 24 -13.950 16.200 6.147 1.00 0.00 C ATOM 355 CD LYS A 24 -13.597 15.767 7.588 1.00 0.00 C ATOM 356 CE LYS A 24 -13.875 16.919 8.590 1.00 0.00 C ATOM 357 NZ LYS A 24 -15.327 17.267 8.594 1.00 0.00 N ATOM 0 H LYS A 24 -11.614 18.944 4.755 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.122 17.762 3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.128 16.792 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.509 17.781 6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.965 16.597 6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.925 15.337 5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.182 14.890 7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.547 15.479 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.563 16.622 9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.285 17.795 8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.560 17.773 9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.541 17.874 7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.893 16.396 8.536 1.00 0.00 H new ATOM 371 N GLY A 25 -14.163 20.145 6.156 1.00 0.00 N ATOM 372 CA GLY A 25 -15.003 21.098 6.933 1.00 0.00 C ATOM 373 C GLY A 25 -15.824 21.943 5.965 1.00 0.00 C ATOM 374 O GLY A 25 -17.014 22.116 6.145 1.00 0.00 O ATOM 0 H GLY A 25 -13.165 20.353 6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.662 20.553 7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.373 21.738 7.550 1.00 0.00 H new ATOM 378 N GLU A 26 -15.139 22.445 4.972 1.00 0.00 N ATOM 379 CA GLU A 26 -15.787 23.293 3.924 1.00 0.00 C ATOM 380 C GLU A 26 -16.824 22.486 3.125 1.00 0.00 C ATOM 381 O GLU A 26 -17.929 22.931 2.883 1.00 0.00 O ATOM 382 CB GLU A 26 -14.692 23.814 2.979 1.00 0.00 C ATOM 383 CG GLU A 26 -13.654 24.664 3.743 1.00 0.00 C ATOM 384 CD GLU A 26 -14.210 26.068 4.051 1.00 0.00 C ATOM 385 OE1 GLU A 26 -15.063 26.153 4.919 1.00 0.00 O ATOM 386 OE2 GLU A 26 -13.746 26.983 3.390 1.00 0.00 O ATOM 0 H GLU A 26 -14.138 22.301 4.839 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.307 24.123 4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.193 22.973 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.145 24.412 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.383 24.164 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.743 24.751 3.151 1.00 0.00 H new ATOM 393 N HIS A 27 -16.394 21.312 2.746 1.00 0.00 N ATOM 394 CA HIS A 27 -17.190 20.338 1.958 1.00 0.00 C ATOM 395 C HIS A 27 -17.375 19.036 2.766 1.00 0.00 C ATOM 396 O HIS A 27 -16.681 18.067 2.543 1.00 0.00 O ATOM 397 CB HIS A 27 -16.429 20.061 0.641 1.00 0.00 C ATOM 398 CG HIS A 27 -16.016 21.390 0.006 1.00 0.00 C ATOM 399 ND1 HIS A 27 -16.828 22.252 -0.508 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.761 21.956 -0.154 1.00 0.00 C ATOM 401 CE1 HIS A 27 -16.155 23.266 -0.953 1.00 0.00 C ATOM 402 NE2 HIS A 27 -14.869 23.126 -0.753 1.00 0.00 N ATOM 0 H HIS A 27 -15.458 20.974 2.970 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.180 20.737 1.737 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.548 19.450 0.838 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.061 19.498 -0.046 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.832 21.506 0.165 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -16.602 24.125 -1.432 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -14.122 23.773 -1.003 1.00 0.00 H new ATOM 410 N PRO A 28 -18.304 19.036 3.692 1.00 0.00 N ATOM 411 CA PRO A 28 -18.794 17.792 4.347 1.00 0.00 C ATOM 412 C PRO A 28 -19.844 17.127 3.431 1.00 0.00 C ATOM 413 O PRO A 28 -20.879 16.677 3.884 1.00 0.00 O ATOM 414 CB PRO A 28 -19.333 18.310 5.674 1.00 0.00 C ATOM 415 CG PRO A 28 -19.981 19.662 5.248 1.00 0.00 C ATOM 416 CD PRO A 28 -18.975 20.248 4.223 1.00 0.00 C ATOM 0 HA PRO A 28 -18.054 17.010 4.517 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.061 17.628 6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.542 18.450 6.410 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.964 19.511 4.802 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -20.116 20.327 6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.480 20.809 3.436 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -18.267 20.929 4.695 1.00 0.00 H new ATOM 424 N GLY A 29 -19.516 17.101 2.164 1.00 0.00 N ATOM 425 CA GLY A 29 -20.398 16.504 1.125 1.00 0.00 C ATOM 426 C GLY A 29 -19.640 15.614 0.133 1.00 0.00 C ATOM 427 O GLY A 29 -20.249 15.105 -0.787 1.00 0.00 O ATOM 0 H GLY A 29 -18.643 17.483 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.176 15.915 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.898 17.303 0.578 1.00 0.00 H new ATOM 431 N LEU A 30 -18.351 15.441 0.328 1.00 0.00 N ATOM 432 CA LEU A 30 -17.539 14.594 -0.589 1.00 0.00 C ATOM 433 C LEU A 30 -17.241 13.200 -0.025 1.00 0.00 C ATOM 434 O LEU A 30 -17.439 12.930 1.145 1.00 0.00 O ATOM 435 CB LEU A 30 -16.207 15.346 -0.904 1.00 0.00 C ATOM 436 CG LEU A 30 -15.692 16.277 0.214 1.00 0.00 C ATOM 437 CD1 LEU A 30 -15.545 15.568 1.593 1.00 0.00 C ATOM 438 CD2 LEU A 30 -14.374 16.947 -0.239 1.00 0.00 C ATOM 0 H LEU A 30 -17.826 15.859 1.096 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.121 14.431 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.436 14.608 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.348 15.937 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.447 17.047 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.179 16.281 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.514 15.183 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.839 14.743 1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.010 17.605 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.628 16.180 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.554 17.530 -1.142 1.00 0.00 H new ATOM 450 N SER A 31 -16.766 12.368 -0.915 1.00 0.00 N ATOM 451 CA SER A 31 -16.403 10.957 -0.606 1.00 0.00 C ATOM 452 C SER A 31 -14.920 10.726 -0.876 1.00 0.00 C ATOM 453 O SER A 31 -14.204 11.639 -1.222 1.00 0.00 O ATOM 454 CB SER A 31 -17.256 10.030 -1.483 1.00 0.00 C ATOM 455 OG SER A 31 -18.590 10.331 -1.103 1.00 0.00 O ATOM 0 H SER A 31 -16.609 12.626 -1.889 1.00 0.00 H new ATOM 0 HA SER A 31 -16.593 10.746 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.090 10.220 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.017 8.981 -1.306 1.00 0.00 H new ATOM 0 HG SER A 31 -19.211 9.778 -1.622 1.00 0.00 H new ATOM 461 N ILE A 32 -14.499 9.500 -0.720 1.00 0.00 N ATOM 462 CA ILE A 32 -13.070 9.113 -0.948 1.00 0.00 C ATOM 463 C ILE A 32 -12.638 9.215 -2.420 1.00 0.00 C ATOM 464 O ILE A 32 -11.534 8.875 -2.793 1.00 0.00 O ATOM 465 CB ILE A 32 -12.930 7.685 -0.415 1.00 0.00 C ATOM 466 CG1 ILE A 32 -11.472 7.154 -0.477 1.00 0.00 C ATOM 467 CG2 ILE A 32 -13.842 6.715 -1.216 1.00 0.00 C ATOM 468 CD1 ILE A 32 -10.493 8.096 0.254 1.00 0.00 C ATOM 0 H ILE A 32 -15.101 8.727 -0.436 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.408 9.805 -0.428 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.232 7.724 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.426 6.162 -0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.167 7.048 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.730 5.704 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -14.881 7.029 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -13.555 6.731 -2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.483 7.692 0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.520 9.081 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.784 8.181 1.301 1.00 0.00 H new ATOM 480 N GLY A 33 -13.558 9.692 -3.196 1.00 0.00 N ATOM 481 CA GLY A 33 -13.349 9.882 -4.665 1.00 0.00 C ATOM 482 C GLY A 33 -13.375 11.374 -5.008 1.00 0.00 C ATOM 483 O GLY A 33 -12.967 11.782 -6.078 1.00 0.00 O ATOM 0 H GLY A 33 -14.483 9.971 -2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.395 9.448 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.126 9.359 -5.222 1.00 0.00 H new ATOM 487 N ASP A 34 -13.840 12.150 -4.068 1.00 0.00 N ATOM 488 CA ASP A 34 -13.942 13.622 -4.250 1.00 0.00 C ATOM 489 C ASP A 34 -12.780 14.236 -3.509 1.00 0.00 C ATOM 490 O ASP A 34 -12.069 15.063 -4.037 1.00 0.00 O ATOM 491 CB ASP A 34 -15.293 14.050 -3.684 1.00 0.00 C ATOM 492 CG ASP A 34 -16.433 13.409 -4.495 1.00 0.00 C ATOM 493 OD1 ASP A 34 -16.538 13.743 -5.664 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.140 12.613 -3.897 1.00 0.00 O ATOM 0 H ASP A 34 -14.161 11.815 -3.160 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.893 13.942 -5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.369 13.753 -2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.381 15.136 -3.714 1.00 0.00 H new ATOM 499 N VAL A 35 -12.618 13.803 -2.295 1.00 0.00 N ATOM 500 CA VAL A 35 -11.510 14.288 -1.422 1.00 0.00 C ATOM 501 C VAL A 35 -10.217 13.925 -2.174 1.00 0.00 C ATOM 502 O VAL A 35 -9.251 14.662 -2.205 1.00 0.00 O ATOM 503 CB VAL A 35 -11.607 13.534 -0.078 1.00 0.00 C ATOM 504 CG1 VAL A 35 -10.446 13.930 0.845 1.00 0.00 C ATOM 505 CG2 VAL A 35 -12.906 13.883 0.649 1.00 0.00 C ATOM 0 H VAL A 35 -13.225 13.111 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.545 15.358 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.574 12.468 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.530 13.389 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.499 13.680 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.483 15.002 1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.952 13.340 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.937 14.955 0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.757 13.603 0.028 1.00 0.00 H new ATOM 515 N ALA A 36 -10.306 12.766 -2.775 1.00 0.00 N ATOM 516 CA ALA A 36 -9.200 12.171 -3.560 1.00 0.00 C ATOM 517 C ALA A 36 -8.931 12.914 -4.847 1.00 0.00 C ATOM 518 O ALA A 36 -7.780 13.137 -5.158 1.00 0.00 O ATOM 519 CB ALA A 36 -9.561 10.729 -3.851 1.00 0.00 C ATOM 0 H ALA A 36 -11.145 12.187 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.282 12.237 -2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.763 10.264 -4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.691 10.190 -2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.490 10.694 -4.421 1.00 0.00 H new ATOM 525 N LYS A 37 -9.956 13.275 -5.577 1.00 0.00 N ATOM 526 CA LYS A 37 -9.665 14.015 -6.838 1.00 0.00 C ATOM 527 C LYS A 37 -9.303 15.472 -6.534 1.00 0.00 C ATOM 528 O LYS A 37 -8.474 16.034 -7.219 1.00 0.00 O ATOM 529 CB LYS A 37 -10.891 13.939 -7.758 1.00 0.00 C ATOM 530 CG LYS A 37 -10.969 12.479 -8.265 1.00 0.00 C ATOM 531 CD LYS A 37 -12.124 12.298 -9.274 1.00 0.00 C ATOM 532 CE LYS A 37 -11.769 12.971 -10.619 1.00 0.00 C ATOM 533 NZ LYS A 37 -10.530 12.358 -11.182 1.00 0.00 N ATOM 0 H LYS A 37 -10.939 13.099 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.811 13.558 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.798 14.212 -7.219 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.794 14.635 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.025 12.204 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.112 11.805 -7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.317 11.237 -9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.039 12.733 -8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.594 12.856 -11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.622 14.041 -10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.521 12.479 -12.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.695 12.823 -10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.509 11.344 -10.952 1.00 0.00 H new ATOM 547 N LYS A 38 -9.900 16.062 -5.525 1.00 0.00 N ATOM 548 CA LYS A 38 -9.586 17.474 -5.187 1.00 0.00 C ATOM 549 C LYS A 38 -8.126 17.515 -4.807 1.00 0.00 C ATOM 550 O LYS A 38 -7.371 18.245 -5.404 1.00 0.00 O ATOM 551 CB LYS A 38 -10.454 17.950 -3.999 1.00 0.00 C ATOM 552 CG LYS A 38 -11.849 18.330 -4.518 1.00 0.00 C ATOM 553 CD LYS A 38 -12.715 18.830 -3.338 1.00 0.00 C ATOM 554 CE LYS A 38 -14.045 19.395 -3.875 1.00 0.00 C ATOM 555 NZ LYS A 38 -14.886 19.895 -2.750 1.00 0.00 N ATOM 0 H LYS A 38 -10.593 15.618 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.794 18.130 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.533 17.161 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.988 18.806 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.767 19.106 -5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.321 17.469 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.910 18.012 -2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.180 19.599 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.847 20.204 -4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.582 18.621 -4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.854 19.528 -2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.485 19.572 -1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.906 20.935 -2.767 1.00 0.00 H new ATOM 569 N LEU A 39 -7.750 16.724 -3.839 1.00 0.00 N ATOM 570 CA LEU A 39 -6.322 16.715 -3.413 1.00 0.00 C ATOM 571 C LEU A 39 -5.497 16.159 -4.535 1.00 0.00 C ATOM 572 O LEU A 39 -4.473 16.706 -4.860 1.00 0.00 O ATOM 573 CB LEU A 39 -6.199 15.854 -2.193 1.00 0.00 C ATOM 574 CG LEU A 39 -6.911 16.560 -1.071 1.00 0.00 C ATOM 575 CD1 LEU A 39 -7.124 15.569 0.062 1.00 0.00 C ATOM 576 CD2 LEU A 39 -6.061 17.730 -0.534 1.00 0.00 C ATOM 0 H LEU A 39 -8.364 16.089 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.973 17.720 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.639 14.873 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.151 15.692 -1.941 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.859 16.949 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.639 16.063 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.727 14.733 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.159 15.199 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.595 18.226 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.110 17.348 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.876 18.444 -1.337 1.00 0.00 H new ATOM 588 N GLY A 40 -5.979 15.084 -5.084 1.00 0.00 N ATOM 589 CA GLY A 40 -5.280 14.408 -6.226 1.00 0.00 C ATOM 590 C GLY A 40 -4.820 15.436 -7.261 1.00 0.00 C ATOM 591 O GLY A 40 -3.831 15.237 -7.936 1.00 0.00 O ATOM 0 H GLY A 40 -6.844 14.631 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.421 13.849 -5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.950 13.687 -6.694 1.00 0.00 H new ATOM 595 N GLU A 41 -5.569 16.509 -7.330 1.00 0.00 N ATOM 596 CA GLU A 41 -5.269 17.614 -8.282 1.00 0.00 C ATOM 597 C GLU A 41 -4.421 18.680 -7.585 1.00 0.00 C ATOM 598 O GLU A 41 -3.328 18.966 -8.032 1.00 0.00 O ATOM 599 CB GLU A 41 -6.584 18.215 -8.746 1.00 0.00 C ATOM 600 CG GLU A 41 -7.330 17.229 -9.674 1.00 0.00 C ATOM 601 CD GLU A 41 -8.758 17.748 -9.948 1.00 0.00 C ATOM 602 OE1 GLU A 41 -8.849 18.816 -10.536 1.00 0.00 O ATOM 603 OE2 GLU A 41 -9.680 17.051 -9.552 1.00 0.00 O ATOM 0 H GLU A 41 -6.394 16.665 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.712 17.234 -9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.206 18.454 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.398 19.150 -9.274 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.787 17.117 -10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.374 16.243 -9.212 1.00 0.00 H new ATOM 610 N MET A 42 -4.941 19.236 -6.516 1.00 0.00 N ATOM 611 CA MET A 42 -4.223 20.293 -5.728 1.00 0.00 C ATOM 612 C MET A 42 -2.746 19.934 -5.552 1.00 0.00 C ATOM 613 O MET A 42 -1.864 20.755 -5.692 1.00 0.00 O ATOM 614 CB MET A 42 -4.847 20.410 -4.371 1.00 0.00 C ATOM 615 CG MET A 42 -6.282 20.973 -4.440 1.00 0.00 C ATOM 616 SD MET A 42 -6.526 22.686 -4.974 1.00 0.00 S ATOM 617 CE MET A 42 -7.788 22.402 -6.244 1.00 0.00 C ATOM 0 H MET A 42 -5.860 18.994 -6.146 1.00 0.00 H new ATOM 0 HA MET A 42 -4.300 21.235 -6.271 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.865 19.430 -3.895 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.233 21.058 -3.745 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.855 20.334 -5.112 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.724 20.871 -3.449 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.071 23.353 -6.695 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.388 21.741 -7.013 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.665 21.941 -5.789 1.00 0.00 H new ATOM 627 N TRP A 43 -2.570 18.680 -5.229 1.00 0.00 N ATOM 628 CA TRP A 43 -1.254 18.048 -5.002 1.00 0.00 C ATOM 629 C TRP A 43 -0.353 18.290 -6.185 1.00 0.00 C ATOM 630 O TRP A 43 0.763 18.746 -6.039 1.00 0.00 O ATOM 631 CB TRP A 43 -1.520 16.581 -4.796 1.00 0.00 C ATOM 632 CG TRP A 43 -0.222 15.807 -4.932 1.00 0.00 C ATOM 633 CD1 TRP A 43 0.041 14.979 -5.965 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.816 15.827 -4.079 1.00 0.00 C ATOM 635 NE1 TRP A 43 1.247 14.542 -5.671 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.806 14.983 -4.558 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.990 16.514 -2.885 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.985 14.819 -3.837 1.00 0.00 C ATOM 639 CZ3 TRP A 43 2.162 16.349 -2.161 1.00 0.00 C ATOM 640 CH2 TRP A 43 3.159 15.501 -2.640 1.00 0.00 C ATOM 0 H TRP A 43 -3.349 18.033 -5.108 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.746 18.466 -4.133 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.954 16.414 -3.810 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.246 16.226 -5.528 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.579 14.737 -6.815 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.733 13.885 -6.281 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.216 17.174 -2.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.761 14.165 -4.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.301 16.876 -1.229 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.072 15.374 -2.077 1.00 0.00 H new ATOM 651 N ASN A 44 -0.907 17.978 -7.329 1.00 0.00 N ATOM 652 CA ASN A 44 -0.118 18.161 -8.581 1.00 0.00 C ATOM 653 C ASN A 44 0.293 19.626 -8.757 1.00 0.00 C ATOM 654 O ASN A 44 1.145 19.941 -9.565 1.00 0.00 O ATOM 655 CB ASN A 44 -0.952 17.676 -9.798 1.00 0.00 C ATOM 656 CG ASN A 44 -1.121 16.151 -9.697 1.00 0.00 C ATOM 657 OD1 ASN A 44 -0.198 15.432 -9.367 1.00 0.00 O ATOM 658 ND2 ASN A 44 -2.273 15.610 -9.976 1.00 0.00 N ATOM 0 H ASN A 44 -1.852 17.612 -7.449 1.00 0.00 H new ATOM 0 HA ASN A 44 0.793 17.566 -8.514 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.926 18.165 -9.809 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.452 17.941 -10.730 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.389 14.598 -9.916 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.058 16.198 -10.255 1.00 0.00 H new ATOM 665 N ASN A 45 -0.342 20.465 -7.976 1.00 0.00 N ATOM 666 CA ASN A 45 -0.079 21.933 -7.996 1.00 0.00 C ATOM 667 C ASN A 45 0.247 22.405 -6.555 1.00 0.00 C ATOM 668 O ASN A 45 -0.217 23.450 -6.140 1.00 0.00 O ATOM 669 CB ASN A 45 -1.342 22.642 -8.525 1.00 0.00 C ATOM 670 CG ASN A 45 -1.931 21.837 -9.681 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.058 21.218 -9.460 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.385 21.759 -10.763 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.055 20.180 -7.304 1.00 0.00 H new ATOM 0 HA ASN A 45 0.767 22.170 -8.642 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.077 22.743 -7.726 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.094 23.650 -8.859 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.504 22.247 -10.926 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.807 21.206 -11.509 1.00 0.00 H new ATOM 679 N THR A 46 1.032 21.645 -5.825 1.00 0.00 N ATOM 680 CA THR A 46 1.374 22.057 -4.422 1.00 0.00 C ATOM 681 C THR A 46 2.650 22.905 -4.439 1.00 0.00 C ATOM 682 O THR A 46 2.681 23.949 -3.818 1.00 0.00 O ATOM 683 CB THR A 46 1.571 20.771 -3.527 1.00 0.00 C ATOM 684 OG1 THR A 46 1.716 21.289 -2.210 1.00 0.00 O ATOM 685 CG2 THR A 46 2.905 20.007 -3.722 1.00 0.00 C ATOM 0 H THR A 46 1.447 20.766 -6.135 1.00 0.00 H new ATOM 0 HA THR A 46 0.563 22.652 -4.001 1.00 0.00 H new ATOM 0 HB THR A 46 0.746 20.096 -3.756 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.843 20.549 -1.580 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.930 19.144 -3.057 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.984 19.671 -4.756 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.740 20.668 -3.490 1.00 0.00 H new ATOM 693 N ALA A 47 3.643 22.426 -5.149 1.00 0.00 N ATOM 694 CA ALA A 47 4.957 23.134 -5.269 1.00 0.00 C ATOM 695 C ALA A 47 6.000 22.274 -5.982 1.00 0.00 C ATOM 696 O ALA A 47 6.868 22.810 -6.643 1.00 0.00 O ATOM 697 CB ALA A 47 5.536 23.485 -3.878 1.00 0.00 C ATOM 0 H ALA A 47 3.595 21.548 -5.665 1.00 0.00 H new ATOM 0 HA ALA A 47 4.756 24.039 -5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.490 23.998 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.840 24.135 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.687 22.570 -3.305 1.00 0.00 H new ATOM 703 N ALA A 48 5.883 20.974 -5.826 1.00 0.00 N ATOM 704 CA ALA A 48 6.847 19.997 -6.454 1.00 0.00 C ATOM 705 C ALA A 48 8.268 20.304 -5.931 1.00 0.00 C ATOM 706 O ALA A 48 9.278 19.912 -6.479 1.00 0.00 O ATOM 707 CB ALA A 48 6.817 20.133 -7.977 1.00 0.00 C ATOM 0 H ALA A 48 5.143 20.535 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 48 6.562 18.978 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.516 19.423 -8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.811 19.926 -8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.103 21.147 -8.257 1.00 0.00 H new ATOM 713 N ASP A 49 8.211 21.028 -4.849 1.00 0.00 N ATOM 714 CA ASP A 49 9.333 21.537 -4.028 1.00 0.00 C ATOM 715 C ASP A 49 8.929 21.203 -2.571 1.00 0.00 C ATOM 716 O ASP A 49 9.755 21.110 -1.684 1.00 0.00 O ATOM 717 CB ASP A 49 9.457 23.055 -4.246 1.00 0.00 C ATOM 718 CG ASP A 49 10.498 23.654 -3.284 1.00 0.00 C ATOM 719 OD1 ASP A 49 11.653 23.291 -3.432 1.00 0.00 O ATOM 720 OD2 ASP A 49 10.074 24.439 -2.450 1.00 0.00 O ATOM 0 H ASP A 49 7.311 21.316 -4.465 1.00 0.00 H new ATOM 0 HA ASP A 49 10.298 21.098 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.747 23.258 -5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.490 23.531 -4.087 1.00 0.00 H new ATOM 725 N ASP A 50 7.634 21.040 -2.409 1.00 0.00 N ATOM 726 CA ASP A 50 6.976 20.712 -1.108 1.00 0.00 C ATOM 727 C ASP A 50 6.413 19.283 -1.281 1.00 0.00 C ATOM 728 O ASP A 50 5.709 18.775 -0.431 1.00 0.00 O ATOM 729 CB ASP A 50 5.840 21.731 -0.864 1.00 0.00 C ATOM 730 CG ASP A 50 5.399 21.761 0.614 1.00 0.00 C ATOM 731 OD1 ASP A 50 4.768 20.811 1.045 1.00 0.00 O ATOM 732 OD2 ASP A 50 5.725 22.752 1.245 1.00 0.00 O ATOM 0 H ASP A 50 6.971 21.128 -3.179 1.00 0.00 H new ATOM 0 HA ASP A 50 7.656 20.759 -0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.174 22.725 -1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.986 21.479 -1.492 1.00 0.00 H new ATOM 737 N LYS A 51 6.758 18.668 -2.388 1.00 0.00 N ATOM 738 CA LYS A 51 6.285 17.288 -2.673 1.00 0.00 C ATOM 739 C LYS A 51 7.394 16.403 -2.191 1.00 0.00 C ATOM 740 O LYS A 51 7.116 15.473 -1.475 1.00 0.00 O ATOM 741 CB LYS A 51 6.103 16.999 -4.168 1.00 0.00 C ATOM 742 CG LYS A 51 4.821 17.620 -4.712 1.00 0.00 C ATOM 743 CD LYS A 51 4.600 17.051 -6.126 1.00 0.00 C ATOM 744 CE LYS A 51 3.279 17.547 -6.688 1.00 0.00 C ATOM 745 NZ LYS A 51 3.085 17.015 -8.065 1.00 0.00 N ATOM 0 H LYS A 51 7.354 19.073 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 51 5.316 17.134 -2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.958 17.388 -4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.082 15.921 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.975 17.383 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.904 18.706 -4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.418 17.353 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.604 15.962 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.458 17.228 -6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.266 18.637 -6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.834 17.794 -8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.965 16.568 -8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.320 16.310 -8.060 1.00 0.00 H new ATOM 759 N GLN A 52 8.600 16.712 -2.604 1.00 0.00 N ATOM 760 CA GLN A 52 9.800 15.909 -2.195 1.00 0.00 C ATOM 761 C GLN A 52 9.641 15.135 -0.864 1.00 0.00 C ATOM 762 O GLN A 52 9.687 13.926 -0.894 1.00 0.00 O ATOM 763 CB GLN A 52 11.027 16.874 -2.124 1.00 0.00 C ATOM 764 CG GLN A 52 11.715 16.916 -3.502 1.00 0.00 C ATOM 765 CD GLN A 52 10.759 17.526 -4.525 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.686 18.727 -4.667 1.00 0.00 O ATOM 767 NE2 GLN A 52 10.010 16.735 -5.243 1.00 0.00 N ATOM 0 H GLN A 52 8.808 17.500 -3.218 1.00 0.00 H new ATOM 0 HA GLN A 52 9.939 15.133 -2.948 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.703 17.874 -1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.729 16.534 -1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.631 17.505 -3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.001 15.910 -3.809 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.073 15.724 -5.122 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.361 17.127 -5.925 1.00 0.00 H new ATOM 776 N PRO A 53 9.445 15.810 0.249 1.00 0.00 N ATOM 777 CA PRO A 53 9.274 15.169 1.591 1.00 0.00 C ATOM 778 C PRO A 53 8.247 14.028 1.638 1.00 0.00 C ATOM 779 O PRO A 53 8.452 12.995 2.245 1.00 0.00 O ATOM 780 CB PRO A 53 8.899 16.330 2.512 1.00 0.00 C ATOM 781 CG PRO A 53 8.349 17.404 1.539 1.00 0.00 C ATOM 782 CD PRO A 53 9.324 17.290 0.369 1.00 0.00 C ATOM 0 HA PRO A 53 10.189 14.660 1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.150 16.033 3.247 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.762 16.696 3.067 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.322 17.196 1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.356 18.400 1.982 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.934 17.748 -0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.281 17.767 0.581 1.00 0.00 H new ATOM 790 N TYR A 54 7.166 14.291 0.960 1.00 0.00 N ATOM 791 CA TYR A 54 6.017 13.337 0.867 1.00 0.00 C ATOM 792 C TYR A 54 6.260 12.262 -0.208 1.00 0.00 C ATOM 793 O TYR A 54 6.069 11.081 0.007 1.00 0.00 O ATOM 794 CB TYR A 54 4.757 14.144 0.527 1.00 0.00 C ATOM 795 CG TYR A 54 4.452 15.273 1.532 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.445 15.056 2.899 1.00 0.00 C ATOM 797 CD2 TYR A 54 4.158 16.538 1.063 1.00 0.00 C ATOM 798 CE1 TYR A 54 4.148 16.084 3.773 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.862 17.564 1.935 1.00 0.00 C ATOM 800 CZ TYR A 54 3.853 17.346 3.295 1.00 0.00 C ATOM 801 OH TYR A 54 3.555 18.381 4.156 1.00 0.00 O ATOM 0 H TYR A 54 7.024 15.160 0.446 1.00 0.00 H new ATOM 0 HA TYR A 54 5.901 12.820 1.820 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.871 14.576 -0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.904 13.467 0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.674 14.074 3.286 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.160 16.726 -0.000 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.146 15.900 4.837 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.635 18.547 1.549 1.00 0.00 H new ATOM 0 HH TYR A 54 3.006 18.044 4.895 1.00 0.00 H new ATOM 811 N GLU A 55 6.674 12.709 -1.358 1.00 0.00 N ATOM 812 CA GLU A 55 6.957 11.792 -2.503 1.00 0.00 C ATOM 813 C GLU A 55 7.990 10.726 -2.117 1.00 0.00 C ATOM 814 O GLU A 55 7.803 9.547 -2.345 1.00 0.00 O ATOM 815 CB GLU A 55 7.461 12.659 -3.680 1.00 0.00 C ATOM 816 CG GLU A 55 6.539 12.469 -4.900 1.00 0.00 C ATOM 817 CD GLU A 55 7.064 13.300 -6.084 1.00 0.00 C ATOM 818 OE1 GLU A 55 8.129 12.953 -6.566 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.373 14.240 -6.444 1.00 0.00 O ATOM 0 H GLU A 55 6.833 13.696 -1.561 1.00 0.00 H new ATOM 0 HA GLU A 55 6.052 11.256 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.481 13.709 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.483 12.380 -3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.496 11.415 -5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.523 12.775 -4.651 1.00 0.00 H new ATOM 826 N LYS A 56 9.067 11.186 -1.542 1.00 0.00 N ATOM 827 CA LYS A 56 10.175 10.294 -1.095 1.00 0.00 C ATOM 828 C LYS A 56 9.573 9.147 -0.246 1.00 0.00 C ATOM 829 O LYS A 56 9.970 7.998 -0.316 1.00 0.00 O ATOM 830 CB LYS A 56 11.151 11.143 -0.262 1.00 0.00 C ATOM 831 CG LYS A 56 12.495 10.423 -0.050 1.00 0.00 C ATOM 832 CD LYS A 56 13.311 11.208 1.009 1.00 0.00 C ATOM 833 CE LYS A 56 14.771 10.722 1.027 1.00 0.00 C ATOM 834 NZ LYS A 56 15.455 11.130 -0.235 1.00 0.00 N ATOM 0 H LYS A 56 9.230 12.176 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 56 10.707 9.856 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.324 12.095 -0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.703 11.369 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.328 9.399 0.283 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.047 10.367 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.278 12.274 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.864 11.075 1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.293 11.142 1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.802 9.638 1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.485 11.129 -0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.213 10.460 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.145 12.085 -0.505 1.00 0.00 H new ATOM 848 N LYS A 57 8.588 9.541 0.530 1.00 0.00 N ATOM 849 CA LYS A 57 7.867 8.597 1.440 1.00 0.00 C ATOM 850 C LYS A 57 7.171 7.550 0.562 1.00 0.00 C ATOM 851 O LYS A 57 7.398 6.366 0.706 1.00 0.00 O ATOM 852 CB LYS A 57 6.825 9.400 2.279 1.00 0.00 C ATOM 853 CG LYS A 57 7.022 9.221 3.800 1.00 0.00 C ATOM 854 CD LYS A 57 8.307 9.953 4.264 1.00 0.00 C ATOM 855 CE LYS A 57 8.400 9.889 5.798 1.00 0.00 C ATOM 856 NZ LYS A 57 9.607 10.630 6.265 1.00 0.00 N ATOM 0 H LYS A 57 8.248 10.502 0.569 1.00 0.00 H new ATOM 0 HA LYS A 57 8.552 8.102 2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.901 10.458 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.820 9.079 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.158 9.615 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.091 8.161 4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.186 9.490 3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.289 10.991 3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.503 10.320 6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.451 8.850 6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.664 10.583 7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.459 10.201 5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.541 11.624 5.967 1.00 0.00 H new ATOM 870 N ALA A 58 6.333 8.048 -0.315 1.00 0.00 N ATOM 871 CA ALA A 58 5.560 7.188 -1.272 1.00 0.00 C ATOM 872 C ALA A 58 6.399 6.008 -1.778 1.00 0.00 C ATOM 873 O ALA A 58 6.013 4.860 -1.679 1.00 0.00 O ATOM 874 CB ALA A 58 5.117 8.021 -2.483 1.00 0.00 C ATOM 0 H ALA A 58 6.146 9.046 -0.411 1.00 0.00 H new ATOM 0 HA ALA A 58 4.695 6.801 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.557 7.390 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.485 8.843 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.995 8.422 -2.989 1.00 0.00 H new ATOM 880 N ALA A 59 7.540 6.365 -2.315 1.00 0.00 N ATOM 881 CA ALA A 59 8.493 5.350 -2.867 1.00 0.00 C ATOM 882 C ALA A 59 8.742 4.217 -1.866 1.00 0.00 C ATOM 883 O ALA A 59 8.451 3.066 -2.137 1.00 0.00 O ATOM 884 CB ALA A 59 9.821 6.060 -3.211 1.00 0.00 C ATOM 0 H ALA A 59 7.857 7.331 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 59 8.060 4.904 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.527 5.335 -3.615 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.636 6.838 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.238 6.509 -2.309 1.00 0.00 H new ATOM 890 N LYS A 60 9.273 4.593 -0.732 1.00 0.00 N ATOM 891 CA LYS A 60 9.579 3.608 0.344 1.00 0.00 C ATOM 892 C LYS A 60 8.350 2.758 0.662 1.00 0.00 C ATOM 893 O LYS A 60 8.436 1.552 0.733 1.00 0.00 O ATOM 894 CB LYS A 60 10.057 4.397 1.579 1.00 0.00 C ATOM 895 CG LYS A 60 10.452 3.406 2.708 1.00 0.00 C ATOM 896 CD LYS A 60 11.223 4.120 3.845 1.00 0.00 C ATOM 897 CE LYS A 60 12.640 4.510 3.367 1.00 0.00 C ATOM 898 NZ LYS A 60 13.405 5.140 4.479 1.00 0.00 N ATOM 0 H LYS A 60 9.511 5.558 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 60 10.361 2.919 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.910 5.023 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.267 5.063 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.555 2.938 3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.068 2.608 2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.679 5.011 4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.292 3.466 4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.167 3.625 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.571 5.201 2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.355 5.397 4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.908 5.995 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.486 4.468 5.269 1.00 0.00 H new ATOM 912 N LEU A 61 7.234 3.411 0.845 1.00 0.00 N ATOM 913 CA LEU A 61 5.976 2.674 1.160 1.00 0.00 C ATOM 914 C LEU A 61 5.722 1.572 0.126 1.00 0.00 C ATOM 915 O LEU A 61 5.649 0.418 0.500 1.00 0.00 O ATOM 916 CB LEU A 61 4.822 3.696 1.196 1.00 0.00 C ATOM 917 CG LEU A 61 5.003 4.744 2.366 1.00 0.00 C ATOM 918 CD1 LEU A 61 3.710 4.750 3.178 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.194 4.453 3.344 1.00 0.00 C ATOM 0 H LEU A 61 7.139 4.425 0.790 1.00 0.00 H new ATOM 0 HA LEU A 61 6.056 2.182 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.771 4.221 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.875 3.171 1.321 1.00 0.00 H new ATOM 0 HG LEU A 61 5.232 5.700 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.798 5.464 3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.878 5.036 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.530 3.754 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.234 5.228 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.047 3.482 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.130 4.447 2.786 1.00 0.00 H new ATOM 931 N LYS A 62 5.596 1.934 -1.132 1.00 0.00 N ATOM 932 CA LYS A 62 5.353 0.885 -2.179 1.00 0.00 C ATOM 933 C LYS A 62 6.337 -0.282 -1.995 1.00 0.00 C ATOM 934 O LYS A 62 5.950 -1.430 -1.907 1.00 0.00 O ATOM 935 CB LYS A 62 5.574 1.425 -3.595 1.00 0.00 C ATOM 936 CG LYS A 62 4.531 2.480 -3.993 1.00 0.00 C ATOM 937 CD LYS A 62 4.746 2.887 -5.480 1.00 0.00 C ATOM 938 CE LYS A 62 4.569 1.669 -6.426 1.00 0.00 C ATOM 939 NZ LYS A 62 4.632 2.106 -7.847 1.00 0.00 N ATOM 0 H LYS A 62 5.650 2.893 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 62 4.318 0.565 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.571 1.861 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.539 0.599 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.525 2.083 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.619 3.355 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.037 3.668 -5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.745 3.306 -5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.347 0.932 -6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.613 1.183 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.512 1.281 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.874 2.793 -8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.554 2.549 -8.033 1.00 0.00 H new ATOM 953 N GLU A 63 7.593 0.084 -1.945 1.00 0.00 N ATOM 954 CA GLU A 63 8.713 -0.884 -1.776 1.00 0.00 C ATOM 955 C GLU A 63 8.408 -1.865 -0.633 1.00 0.00 C ATOM 956 O GLU A 63 8.438 -3.066 -0.816 1.00 0.00 O ATOM 957 CB GLU A 63 10.001 -0.042 -1.500 1.00 0.00 C ATOM 958 CG GLU A 63 11.309 -0.838 -1.737 1.00 0.00 C ATOM 959 CD GLU A 63 12.503 0.086 -1.398 1.00 0.00 C ATOM 960 OE1 GLU A 63 12.637 0.391 -0.223 1.00 0.00 O ATOM 961 OE2 GLU A 63 13.210 0.441 -2.327 1.00 0.00 O ATOM 0 H GLU A 63 7.896 1.055 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 63 8.853 -1.493 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.997 0.839 -2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.981 0.315 -0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.330 -1.731 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.369 -1.172 -2.773 1.00 0.00 H new ATOM 968 N LYS A 64 8.107 -1.309 0.516 1.00 0.00 N ATOM 969 CA LYS A 64 7.795 -2.149 1.712 1.00 0.00 C ATOM 970 C LYS A 64 6.689 -3.154 1.384 1.00 0.00 C ATOM 971 O LYS A 64 6.848 -4.348 1.546 1.00 0.00 O ATOM 972 CB LYS A 64 7.387 -1.182 2.852 1.00 0.00 C ATOM 973 CG LYS A 64 6.872 -1.946 4.092 1.00 0.00 C ATOM 974 CD LYS A 64 6.677 -0.933 5.245 1.00 0.00 C ATOM 975 CE LYS A 64 5.965 -1.615 6.422 1.00 0.00 C ATOM 976 NZ LYS A 64 4.579 -1.993 6.023 1.00 0.00 N ATOM 0 H LYS A 64 8.064 -0.303 0.676 1.00 0.00 H new ATOM 0 HA LYS A 64 8.659 -2.737 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.243 -0.568 3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.612 -0.504 2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.931 -2.447 3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.583 -2.719 4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.643 -0.545 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.092 -0.081 4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.519 -2.502 6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.936 -0.943 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.994 -2.117 6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.172 -1.242 5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.603 -2.884 5.487 1.00 0.00 H new ATOM 990 N TYR A 65 5.600 -2.617 0.912 1.00 0.00 N ATOM 991 CA TYR A 65 4.421 -3.441 0.543 1.00 0.00 C ATOM 992 C TYR A 65 4.823 -4.618 -0.324 1.00 0.00 C ATOM 993 O TYR A 65 4.612 -5.758 0.028 1.00 0.00 O ATOM 994 CB TYR A 65 3.412 -2.486 -0.169 1.00 0.00 C ATOM 995 CG TYR A 65 2.461 -3.207 -1.155 1.00 0.00 C ATOM 996 CD1 TYR A 65 1.856 -4.409 -0.844 1.00 0.00 C ATOM 997 CD2 TYR A 65 2.202 -2.642 -2.389 1.00 0.00 C ATOM 998 CE1 TYR A 65 1.015 -5.030 -1.743 1.00 0.00 C ATOM 999 CE2 TYR A 65 1.360 -3.263 -3.290 1.00 0.00 C ATOM 1000 CZ TYR A 65 0.760 -4.463 -2.970 1.00 0.00 C ATOM 1001 OH TYR A 65 -0.084 -5.094 -3.858 1.00 0.00 O ATOM 0 H TYR A 65 5.477 -1.615 0.764 1.00 0.00 H new ATOM 0 HA TYR A 65 3.955 -3.882 1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.817 -1.973 0.586 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.969 -1.721 -0.710 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.044 -4.868 0.115 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.664 -1.702 -2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.552 -5.970 -1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.170 -2.807 -4.250 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.157 -4.560 -4.676 1.00 0.00 H new ATOM 1011 N GLU A 66 5.404 -4.277 -1.433 1.00 0.00 N ATOM 1012 CA GLU A 66 5.868 -5.282 -2.425 1.00 0.00 C ATOM 1013 C GLU A 66 6.687 -6.445 -1.839 1.00 0.00 C ATOM 1014 O GLU A 66 6.667 -7.536 -2.370 1.00 0.00 O ATOM 1015 CB GLU A 66 6.702 -4.563 -3.450 1.00 0.00 C ATOM 1016 CG GLU A 66 5.861 -3.473 -4.177 1.00 0.00 C ATOM 1017 CD GLU A 66 5.240 -4.035 -5.470 1.00 0.00 C ATOM 1018 OE1 GLU A 66 4.474 -4.979 -5.356 1.00 0.00 O ATOM 1019 OE2 GLU A 66 5.568 -3.484 -6.508 1.00 0.00 O ATOM 0 H GLU A 66 5.583 -3.310 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 66 4.975 -5.741 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.564 -4.102 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.088 -5.277 -4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.073 -3.114 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.493 -2.617 -4.414 1.00 0.00 H new ATOM 1026 N LYS A 67 7.372 -6.177 -0.757 1.00 0.00 N ATOM 1027 CA LYS A 67 8.215 -7.225 -0.098 1.00 0.00 C ATOM 1028 C LYS A 67 7.473 -8.139 0.861 1.00 0.00 C ATOM 1029 O LYS A 67 7.814 -9.293 1.043 1.00 0.00 O ATOM 1030 CB LYS A 67 9.358 -6.559 0.693 1.00 0.00 C ATOM 1031 CG LYS A 67 10.634 -6.441 -0.142 1.00 0.00 C ATOM 1032 CD LYS A 67 10.518 -5.385 -1.255 1.00 0.00 C ATOM 1033 CE LYS A 67 11.832 -5.375 -2.054 1.00 0.00 C ATOM 1034 NZ LYS A 67 11.783 -4.318 -3.105 1.00 0.00 N ATOM 0 H LYS A 67 7.385 -5.267 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 67 8.576 -7.843 -0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.044 -5.567 1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.564 -7.140 1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.468 -6.185 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.863 -7.409 -0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.678 -5.615 -1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.328 -4.401 -0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.673 -5.195 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.995 -6.350 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.675 -4.319 -3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.991 -4.508 -3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.649 -3.389 -2.657 1.00 0.00 H new ATOM 1048 N ASP A 68 6.467 -7.567 1.429 1.00 0.00 N ATOM 1049 CA ASP A 68 5.615 -8.268 2.402 1.00 0.00 C ATOM 1050 C ASP A 68 4.553 -9.009 1.656 1.00 0.00 C ATOM 1051 O ASP A 68 4.036 -9.990 2.153 1.00 0.00 O ATOM 1052 CB ASP A 68 4.967 -7.267 3.313 1.00 0.00 C ATOM 1053 CG ASP A 68 6.019 -6.509 4.145 1.00 0.00 C ATOM 1054 OD1 ASP A 68 6.747 -7.179 4.859 1.00 0.00 O ATOM 1055 OD2 ASP A 68 6.038 -5.294 4.022 1.00 0.00 O ATOM 0 H ASP A 68 6.190 -6.602 1.250 1.00 0.00 H new ATOM 0 HA ASP A 68 6.216 -8.959 2.993 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.386 -6.558 2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.270 -7.775 3.979 1.00 0.00 H new ATOM 1060 N ILE A 69 4.254 -8.527 0.482 1.00 0.00 N ATOM 1061 CA ILE A 69 3.201 -9.230 -0.285 1.00 0.00 C ATOM 1062 C ILE A 69 3.883 -10.393 -0.977 1.00 0.00 C ATOM 1063 O ILE A 69 3.366 -11.486 -1.052 1.00 0.00 O ATOM 1064 CB ILE A 69 2.550 -8.234 -1.284 1.00 0.00 C ATOM 1065 CG1 ILE A 69 1.498 -8.951 -2.131 1.00 0.00 C ATOM 1066 CG2 ILE A 69 3.564 -7.662 -2.258 1.00 0.00 C ATOM 1067 CD1 ILE A 69 0.625 -9.863 -1.274 1.00 0.00 C ATOM 0 H ILE A 69 4.675 -7.711 0.038 1.00 0.00 H new ATOM 0 HA ILE A 69 2.396 -9.608 0.345 1.00 0.00 H new ATOM 0 HB ILE A 69 2.115 -7.436 -0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.873 -8.216 -2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.990 -9.538 -2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.066 -6.971 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.340 -7.132 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.015 -8.472 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.113 -10.358 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.249 -10.613 -0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.114 -9.270 -0.515 1.00 0.00 H new ATOM 1079 N ALA A 70 5.050 -10.101 -1.460 1.00 0.00 N ATOM 1080 CA ALA A 70 5.861 -11.136 -2.162 1.00 0.00 C ATOM 1081 C ALA A 70 6.055 -12.293 -1.170 1.00 0.00 C ATOM 1082 O ALA A 70 6.061 -13.448 -1.543 1.00 0.00 O ATOM 1083 CB ALA A 70 7.215 -10.547 -2.557 1.00 0.00 C ATOM 0 H ALA A 70 5.486 -9.181 -1.400 1.00 0.00 H new ATOM 0 HA ALA A 70 5.366 -11.481 -3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.806 -11.306 -3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.062 -9.696 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.744 -10.219 -1.662 1.00 0.00 H new ATOM 1089 N ALA A 71 6.192 -11.916 0.083 1.00 0.00 N ATOM 1090 CA ALA A 71 6.392 -12.906 1.176 1.00 0.00 C ATOM 1091 C ALA A 71 5.052 -13.595 1.443 1.00 0.00 C ATOM 1092 O ALA A 71 4.988 -14.798 1.608 1.00 0.00 O ATOM 1093 CB ALA A 71 6.885 -12.164 2.425 1.00 0.00 C ATOM 0 H ALA A 71 6.172 -10.944 0.392 1.00 0.00 H new ATOM 0 HA ALA A 71 7.133 -13.657 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.036 -12.877 3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.827 -11.662 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.143 -11.425 2.726 1.00 0.00 H new ATOM 1099 N TYR A 72 4.019 -12.791 1.487 1.00 0.00 N ATOM 1100 CA TYR A 72 2.637 -13.318 1.730 1.00 0.00 C ATOM 1101 C TYR A 72 2.320 -14.465 0.757 1.00 0.00 C ATOM 1102 O TYR A 72 1.869 -15.521 1.158 1.00 0.00 O ATOM 1103 CB TYR A 72 1.616 -12.205 1.509 1.00 0.00 C ATOM 1104 CG TYR A 72 0.877 -11.837 2.795 1.00 0.00 C ATOM 1105 CD1 TYR A 72 1.545 -11.245 3.848 1.00 0.00 C ATOM 1106 CD2 TYR A 72 -0.474 -12.087 2.907 1.00 0.00 C ATOM 1107 CE1 TYR A 72 0.869 -10.907 4.998 1.00 0.00 C ATOM 1108 CE2 TYR A 72 -1.152 -11.747 4.056 1.00 0.00 C ATOM 1109 CZ TYR A 72 -0.484 -11.155 5.107 1.00 0.00 C ATOM 1110 OH TYR A 72 -1.166 -10.812 6.254 1.00 0.00 O ATOM 0 H TYR A 72 4.073 -11.780 1.364 1.00 0.00 H new ATOM 0 HA TYR A 72 2.586 -13.683 2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 72 2.122 -11.323 1.117 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.895 -12.520 0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.604 -11.046 3.769 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.004 -12.552 2.089 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.399 -10.446 5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.211 -11.945 4.134 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.741 -10.031 6.666 1.00 0.00 H new ATOM 1120 N ARG A 73 2.596 -14.171 -0.493 1.00 0.00 N ATOM 1121 CA ARG A 73 2.363 -15.119 -1.610 1.00 0.00 C ATOM 1122 C ARG A 73 3.439 -16.179 -1.672 1.00 0.00 C ATOM 1123 O ARG A 73 3.288 -17.164 -2.370 1.00 0.00 O ATOM 1124 CB ARG A 73 2.332 -14.363 -2.954 1.00 0.00 C ATOM 1125 CG ARG A 73 1.028 -13.546 -3.063 1.00 0.00 C ATOM 1126 CD ARG A 73 0.762 -13.231 -4.551 1.00 0.00 C ATOM 1127 NE ARG A 73 -0.672 -12.828 -4.705 1.00 0.00 N ATOM 1128 CZ ARG A 73 -1.006 -11.670 -5.217 1.00 0.00 C ATOM 1129 NH1 ARG A 73 -0.399 -11.238 -6.289 1.00 0.00 N ATOM 1130 NH2 ARG A 73 -1.947 -10.986 -4.632 1.00 0.00 N ATOM 0 H ARG A 73 2.988 -13.276 -0.786 1.00 0.00 H new ATOM 0 HA ARG A 73 1.403 -15.603 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.194 -13.701 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.400 -15.070 -3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.194 -14.107 -2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.112 -12.622 -2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.419 -12.430 -4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.978 -14.104 -5.167 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.405 -13.470 -4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.332 -11.802 -6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.655 -10.337 -6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.403 -11.356 -3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.228 -10.081 -5.008 1.00 0.00 H new ATOM 1144 N ALA A 74 4.497 -15.949 -0.939 1.00 0.00 N ATOM 1145 CA ALA A 74 5.609 -16.942 -0.922 1.00 0.00 C ATOM 1146 C ALA A 74 5.270 -18.051 0.107 1.00 0.00 C ATOM 1147 O ALA A 74 6.124 -18.606 0.773 1.00 0.00 O ATOM 1148 CB ALA A 74 6.897 -16.212 -0.536 1.00 0.00 C ATOM 0 H ALA A 74 4.638 -15.124 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 74 5.742 -17.405 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.725 -16.920 -0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.105 -15.430 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.780 -15.765 0.451 1.00 0.00 H new ATOM 1154 N LYS A 75 3.984 -18.313 0.177 1.00 0.00 N ATOM 1155 CA LYS A 75 3.349 -19.328 1.062 1.00 0.00 C ATOM 1156 C LYS A 75 3.587 -18.966 2.521 1.00 0.00 C ATOM 1157 O LYS A 75 4.228 -19.666 3.283 1.00 0.00 O ATOM 1158 CB LYS A 75 3.917 -20.734 0.742 1.00 0.00 C ATOM 1159 CG LYS A 75 2.980 -21.766 1.425 1.00 0.00 C ATOM 1160 CD LYS A 75 3.442 -23.188 1.057 1.00 0.00 C ATOM 1161 CE LYS A 75 2.399 -24.214 1.532 1.00 0.00 C ATOM 1162 NZ LYS A 75 1.116 -24.024 0.789 1.00 0.00 N ATOM 0 H LYS A 75 3.302 -17.816 -0.396 1.00 0.00 H new ATOM 0 HA LYS A 75 2.274 -19.342 0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.954 -20.900 -0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.937 -20.832 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.999 -21.633 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.951 -21.610 1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.579 -23.268 -0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.407 -23.397 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.774 -25.225 1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.228 -24.102 2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.351 -23.823 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.213 -23.227 0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.891 -24.889 0.258 1.00 0.00 H new ATOM 1176 N GLY A 76 3.031 -17.831 2.828 1.00 0.00 N ATOM 1177 CA GLY A 76 3.111 -17.258 4.183 1.00 0.00 C ATOM 1178 C GLY A 76 1.687 -17.393 4.714 1.00 0.00 C ATOM 1179 O GLY A 76 1.461 -17.936 5.780 1.00 0.00 O ATOM 0 H GLY A 76 2.506 -17.261 2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.824 -17.799 4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.433 -16.217 4.160 1.00 0.00 H new ATOM 1183 N LYS A 77 0.769 -16.892 3.920 1.00 0.00 N ATOM 1184 CA LYS A 77 -0.696 -16.916 4.250 1.00 0.00 C ATOM 1185 C LYS A 77 -0.995 -16.389 5.680 1.00 0.00 C ATOM 1186 O LYS A 77 -0.081 -16.015 6.394 1.00 0.00 O ATOM 1187 CB LYS A 77 -1.190 -18.387 4.063 1.00 0.00 C ATOM 1188 CG LYS A 77 -0.961 -18.840 2.592 1.00 0.00 C ATOM 1189 CD LYS A 77 -1.852 -20.065 2.228 1.00 0.00 C ATOM 1190 CE LYS A 77 -1.523 -21.310 3.073 1.00 0.00 C ATOM 1191 NZ LYS A 77 -0.136 -21.780 2.813 1.00 0.00 N ATOM 0 H LYS A 77 0.982 -16.452 3.025 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.233 -16.243 3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.655 -19.049 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.248 -18.459 4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.183 -18.014 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.089 -19.096 2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.900 -19.802 2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.722 -20.303 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.639 -21.077 4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.230 -22.107 2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.016 -22.693 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.006 -21.894 1.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.542 -21.082 3.180 1.00 0.00 H new ATOM 1205 N PRO A 78 -2.245 -16.346 6.089 1.00 0.00 N ATOM 1206 CA PRO A 78 -2.607 -15.997 7.491 1.00 0.00 C ATOM 1207 C PRO A 78 -2.257 -17.093 8.521 1.00 0.00 C ATOM 1208 O PRO A 78 -2.878 -17.147 9.568 1.00 0.00 O ATOM 1209 CB PRO A 78 -4.123 -15.694 7.415 1.00 0.00 C ATOM 1210 CG PRO A 78 -4.378 -15.496 5.895 1.00 0.00 C ATOM 1211 CD PRO A 78 -3.467 -16.567 5.274 1.00 0.00 C ATOM 0 HA PRO A 78 -2.029 -15.149 7.858 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.717 -16.514 7.818 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.383 -14.802 7.985 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.425 -15.650 5.634 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.111 -14.492 5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.868 -17.574 5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.296 -16.407 4.209 1.00 0.00 H new ATOM 1219 N ASP A 79 -1.290 -17.932 8.223 1.00 0.00 N ATOM 1220 CA ASP A 79 -0.904 -19.019 9.185 1.00 0.00 C ATOM 1221 C ASP A 79 0.611 -19.064 9.424 1.00 0.00 C ATOM 1222 O ASP A 79 1.201 -20.120 9.565 1.00 0.00 O ATOM 1223 CB ASP A 79 -1.435 -20.355 8.606 1.00 0.00 C ATOM 1224 CG ASP A 79 -1.067 -20.466 7.117 1.00 0.00 C ATOM 1225 OD1 ASP A 79 0.116 -20.553 6.823 1.00 0.00 O ATOM 1226 OD2 ASP A 79 -2.017 -20.450 6.355 1.00 0.00 O ATOM 0 H ASP A 79 -0.752 -17.912 7.357 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.346 -18.828 10.163 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.011 -21.194 9.157 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.517 -20.409 8.727 1.00 0.00 H new ATOM 1231 N ALA A 80 1.190 -17.891 9.458 1.00 0.00 N ATOM 1232 CA ALA A 80 2.663 -17.753 9.686 1.00 0.00 C ATOM 1233 C ALA A 80 2.945 -16.762 10.825 1.00 0.00 C ATOM 1234 O ALA A 80 3.414 -17.147 11.878 1.00 0.00 O ATOM 1235 CB ALA A 80 3.315 -17.268 8.384 1.00 0.00 C ATOM 0 H ALA A 80 0.696 -17.007 9.335 1.00 0.00 H new ATOM 0 HA ALA A 80 3.080 -18.718 9.974 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.390 -17.162 8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.128 -17.993 7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.891 -16.304 8.102 1.00 0.00 H new ATOM 1241 N ALA A 81 2.643 -15.514 10.565 1.00 0.00 N ATOM 1242 CA ALA A 81 2.858 -14.421 11.571 1.00 0.00 C ATOM 1243 C ALA A 81 1.577 -13.583 11.767 1.00 0.00 C ATOM 1244 O ALA A 81 0.630 -13.829 11.036 1.00 0.00 O ATOM 1245 CB ALA A 81 4.016 -13.531 11.074 1.00 0.00 C ATOM 1246 OXT ALA A 81 1.615 -12.733 12.644 1.00 0.00 O ATOM 0 H ALA A 81 2.248 -15.198 9.679 1.00 0.00 H new ATOM 0 HA ALA A 81 3.107 -14.859 12.538 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.191 -12.728 11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.920 -14.132 10.975 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.756 -13.103 10.106 1.00 0.00 H new TER 1252 ALA A 81 HETATM 1253 C1 BME A 82 -7.912 10.160 3.374 1.00 0.00 C HETATM 1254 C2 BME A 82 -7.724 11.603 3.863 1.00 0.00 C HETATM 1255 O1 BME A 82 -6.961 9.399 4.105 1.00 0.00 O HETATM 1256 S2 BME A 82 -6.109 12.391 3.654 1.00 0.00 S HETATM 0 HO1 BME A 82 -6.271 9.064 3.495 1.00 0.00 H new HETATM 0 H22 BME A 82 -8.462 12.223 3.354 1.00 0.00 H new HETATM 0 H21 BME A 82 -7.967 11.626 4.925 1.00 0.00 H new HETATM 0 H12 BME A 82 -8.927 9.809 3.561 1.00 0.00 H new HETATM 0 H11 BME A 82 -7.740 10.081 2.301 1.00 0.00 H new