USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 470 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 Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -110:sc= -0.228 (180deg=-1.63!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 159:sc= 0 (180deg=-0.0761) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= 0.188 F(o=-3.4!,f=0.19) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.152 K(o=-0.15,f=-1) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= -0.0239 (180deg=-0.442) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.0144 (180deg=-0.276) USER MOD Single : A 54 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 -12.442 -10.005 -11.250 1.00 0.00 N ATOM 2 CA ILE A 5 -11.795 -9.338 -12.420 1.00 0.00 C ATOM 3 C ILE A 5 -10.609 -8.443 -11.916 1.00 0.00 C ATOM 4 O ILE A 5 -10.239 -7.448 -12.537 1.00 0.00 O ATOM 5 CB ILE A 5 -12.912 -8.430 -13.177 1.00 0.00 C ATOM 6 CG1 ILE A 5 -14.168 -9.354 -13.608 1.00 0.00 C ATOM 7 CG2 ILE A 5 -12.286 -7.716 -14.494 1.00 0.00 C ATOM 8 CD1 ILE A 5 -15.397 -8.489 -14.042 1.00 0.00 C ATOM 0 HA ILE A 5 -11.400 -10.079 -13.114 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.245 -7.654 -12.488 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.874 -10.008 -14.429 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.451 -9.997 -12.774 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -13.054 -7.115 -14.982 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -11.455 -7.075 -14.200 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.928 -8.479 -15.186 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -16.221 -9.144 -14.325 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -15.706 -7.854 -13.212 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -15.121 -7.866 -14.892 1.00 0.00 H new ATOM 20 N MET A 6 -10.034 -8.842 -10.745 1.00 0.00 N ATOM 21 CA MET A 6 -8.910 -8.096 -10.086 1.00 0.00 C ATOM 22 C MET A 6 -9.230 -6.557 -10.027 1.00 0.00 C ATOM 23 O MET A 6 -8.329 -5.731 -9.917 1.00 0.00 O ATOM 24 CB MET A 6 -7.570 -8.367 -10.910 1.00 0.00 C ATOM 25 CG MET A 6 -7.158 -9.892 -10.820 1.00 0.00 C ATOM 26 SD MET A 6 -5.646 -10.197 -11.804 1.00 0.00 S ATOM 27 CE MET A 6 -5.622 -12.014 -11.700 1.00 0.00 C ATOM 0 H MET A 6 -10.327 -9.675 -10.235 1.00 0.00 H new ATOM 0 HA MET A 6 -8.784 -8.444 -9.061 1.00 0.00 H new ATOM 0 HB2 MET A 6 -7.715 -8.085 -11.953 1.00 0.00 H new ATOM 0 HB3 MET A 6 -6.765 -7.744 -10.520 1.00 0.00 H new ATOM 0 HG2 MET A 6 -6.986 -10.169 -9.780 1.00 0.00 H new ATOM 0 HG3 MET A 6 -7.972 -10.518 -11.186 1.00 0.00 H new ATOM 0 HE1 MET A 6 -4.761 -12.398 -12.247 1.00 0.00 H new ATOM 0 HE2 MET A 6 -5.554 -12.318 -10.655 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.537 -12.415 -12.136 1.00 0.00 H new ATOM 37 N GLN A 7 -10.554 -6.203 -10.153 1.00 0.00 N ATOM 38 CA GLN A 7 -11.011 -4.782 -10.172 1.00 0.00 C ATOM 39 C GLN A 7 -10.612 -4.067 -8.866 1.00 0.00 C ATOM 40 O GLN A 7 -10.058 -2.964 -8.897 1.00 0.00 O ATOM 41 CB GLN A 7 -12.593 -4.741 -10.373 1.00 0.00 C ATOM 42 CG GLN A 7 -13.135 -3.235 -10.528 1.00 0.00 C ATOM 43 CD GLN A 7 -14.668 -3.204 -10.724 1.00 0.00 C ATOM 44 OE1 GLN A 7 -15.411 -3.635 -9.845 1.00 0.00 O ATOM 45 NE2 GLN A 7 -15.177 -2.721 -11.831 1.00 0.00 N ATOM 0 H GLN A 7 -11.310 -6.881 -10.242 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.530 -4.261 -11.000 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.862 -5.317 -11.258 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.080 -5.217 -9.522 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.868 -2.658 -9.643 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.648 -2.757 -11.378 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.562 -2.363 -12.561 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.188 -2.703 -11.962 1.00 0.00 H new ATOM 54 N ALA A 8 -10.888 -4.726 -7.716 1.00 0.00 N ATOM 55 CA ALA A 8 -10.544 -4.168 -6.387 1.00 0.00 C ATOM 56 C ALA A 8 -9.012 -4.006 -6.268 1.00 0.00 C ATOM 57 O ALA A 8 -8.518 -2.983 -5.763 1.00 0.00 O ATOM 58 CB ALA A 8 -11.083 -5.136 -5.278 1.00 0.00 C ATOM 0 H ALA A 8 -11.344 -5.638 -7.681 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.002 -3.187 -6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.836 -4.736 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.165 -5.229 -5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.623 -6.117 -5.397 1.00 0.00 H new ATOM 64 N LYS A 9 -8.262 -5.042 -6.738 1.00 0.00 N ATOM 65 CA LYS A 9 -6.772 -5.019 -6.690 1.00 0.00 C ATOM 66 C LYS A 9 -6.197 -3.907 -7.615 1.00 0.00 C ATOM 67 O LYS A 9 -5.290 -3.176 -7.221 1.00 0.00 O ATOM 68 CB LYS A 9 -6.200 -6.438 -7.103 1.00 0.00 C ATOM 69 CG LYS A 9 -4.606 -6.496 -6.941 1.00 0.00 C ATOM 70 CD LYS A 9 -4.036 -7.933 -7.332 1.00 0.00 C ATOM 71 CE LYS A 9 -2.472 -7.974 -7.151 1.00 0.00 C ATOM 72 NZ LYS A 9 -1.969 -9.323 -7.515 1.00 0.00 N ATOM 0 H LYS A 9 -8.656 -5.889 -7.147 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.463 -4.793 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.658 -7.210 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.470 -6.654 -8.137 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.146 -5.736 -7.573 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.334 -6.262 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.500 -8.697 -6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.295 -8.165 -8.365 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.002 -7.217 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.208 -7.741 -6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.936 -9.352 -7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.409 -10.036 -6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.209 -9.527 -8.506 1.00 0.00 H new ATOM 86 N GLU A 10 -6.741 -3.793 -8.841 1.00 0.00 N ATOM 87 CA GLU A 10 -6.292 -2.758 -9.824 1.00 0.00 C ATOM 88 C GLU A 10 -6.613 -1.341 -9.287 1.00 0.00 C ATOM 89 O GLU A 10 -5.794 -0.430 -9.394 1.00 0.00 O ATOM 90 CB GLU A 10 -7.012 -3.011 -11.221 1.00 0.00 C ATOM 91 CG GLU A 10 -6.405 -4.281 -11.992 1.00 0.00 C ATOM 92 CD GLU A 10 -4.956 -3.996 -12.480 1.00 0.00 C ATOM 93 OE1 GLU A 10 -4.776 -3.004 -13.166 1.00 0.00 O ATOM 94 OE2 GLU A 10 -4.057 -4.762 -12.146 1.00 0.00 O ATOM 0 H GLU A 10 -7.489 -4.396 -9.184 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.214 -2.830 -9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.079 -3.163 -11.056 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.910 -2.125 -11.847 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.406 -5.147 -11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.037 -4.530 -12.844 1.00 0.00 H new ATOM 101 N ASP A 11 -7.801 -1.194 -8.676 1.00 0.00 N ATOM 102 CA ASP A 11 -8.239 0.112 -8.084 1.00 0.00 C ATOM 103 C ASP A 11 -7.262 0.508 -6.939 1.00 0.00 C ATOM 104 O ASP A 11 -6.902 1.691 -6.793 1.00 0.00 O ATOM 105 CB ASP A 11 -9.709 -0.016 -7.525 1.00 0.00 C ATOM 106 CG ASP A 11 -10.759 -0.163 -8.670 1.00 0.00 C ATOM 107 OD1 ASP A 11 -10.425 0.088 -9.821 1.00 0.00 O ATOM 108 OD2 ASP A 11 -11.881 -0.527 -8.359 1.00 0.00 O ATOM 0 H ASP A 11 -8.480 -1.948 -8.572 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.226 0.884 -8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.771 -0.880 -6.863 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.947 0.863 -6.926 1.00 0.00 H new ATOM 113 N PHE A 12 -6.826 -0.504 -6.141 1.00 0.00 N ATOM 114 CA PHE A 12 -5.870 -0.268 -5.026 1.00 0.00 C ATOM 115 C PHE A 12 -4.503 0.260 -5.576 1.00 0.00 C ATOM 116 O PHE A 12 -3.955 1.231 -5.054 1.00 0.00 O ATOM 117 CB PHE A 12 -5.652 -1.603 -4.206 1.00 0.00 C ATOM 118 CG PHE A 12 -4.791 -1.287 -2.920 1.00 0.00 C ATOM 119 CD1 PHE A 12 -5.416 -0.690 -1.787 1.00 0.00 C ATOM 120 CD2 PHE A 12 -3.391 -1.547 -2.884 1.00 0.00 C ATOM 121 CE1 PHE A 12 -4.657 -0.372 -0.647 1.00 0.00 C ATOM 122 CE2 PHE A 12 -2.649 -1.229 -1.734 1.00 0.00 C ATOM 123 CZ PHE A 12 -3.277 -0.641 -0.622 1.00 0.00 C ATOM 0 H PHE A 12 -7.116 -1.476 -6.247 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.289 0.489 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.613 -2.029 -3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.146 -2.345 -4.824 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.475 -0.481 -1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.901 -1.988 -3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.134 0.079 0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.590 -1.438 -1.704 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.697 -0.395 0.255 1.00 0.00 H new ATOM 133 N LYS A 13 -3.957 -0.410 -6.633 1.00 0.00 N ATOM 134 CA LYS A 13 -2.648 -0.012 -7.235 1.00 0.00 C ATOM 135 C LYS A 13 -2.729 1.409 -7.831 1.00 0.00 C ATOM 136 O LYS A 13 -1.805 2.218 -7.672 1.00 0.00 O ATOM 137 CB LYS A 13 -2.257 -1.048 -8.350 1.00 0.00 C ATOM 138 CG LYS A 13 -1.958 -2.489 -7.709 1.00 0.00 C ATOM 139 CD LYS A 13 -1.638 -3.580 -8.840 1.00 0.00 C ATOM 140 CE LYS A 13 -0.209 -3.354 -9.481 1.00 0.00 C ATOM 141 NZ LYS A 13 0.072 -4.448 -10.437 1.00 0.00 N ATOM 0 H LYS A 13 -4.395 -1.216 -7.080 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.885 -0.007 -6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.065 -1.129 -9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.378 -0.695 -8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.114 -2.415 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.818 -2.813 -7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.689 -4.579 -8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.399 -3.531 -9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.174 -2.391 -9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.553 -3.331 -8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.010 -4.305 -10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.054 -5.360 -9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.650 -4.449 -11.185 1.00 0.00 H new ATOM 155 N LYS A 14 -3.862 1.689 -8.521 1.00 0.00 N ATOM 156 CA LYS A 14 -4.101 3.016 -9.149 1.00 0.00 C ATOM 157 C LYS A 14 -4.089 4.105 -8.068 1.00 0.00 C ATOM 158 O LYS A 14 -3.545 5.186 -8.264 1.00 0.00 O ATOM 159 CB LYS A 14 -5.483 3.012 -9.915 1.00 0.00 C ATOM 160 CG LYS A 14 -5.391 2.163 -11.263 1.00 0.00 C ATOM 161 CD LYS A 14 -6.809 2.098 -11.991 1.00 0.00 C ATOM 162 CE LYS A 14 -6.685 1.364 -13.380 1.00 0.00 C ATOM 163 NZ LYS A 14 -6.171 -0.014 -13.155 1.00 0.00 N ATOM 0 H LYS A 14 -4.620 1.021 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.309 3.223 -9.869 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.258 2.595 -9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.777 4.036 -10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.655 2.611 -11.930 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.046 1.154 -11.039 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.525 1.573 -11.359 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.194 3.107 -12.140 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.656 1.328 -13.875 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.012 1.914 -14.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.199 -0.086 -13.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.176 -0.225 -12.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.778 -0.696 -13.653 1.00 0.00 H new ATOM 177 N MET A 15 -4.698 3.808 -6.914 1.00 0.00 N ATOM 178 CA MET A 15 -4.732 4.776 -5.800 1.00 0.00 C ATOM 179 C MET A 15 -3.284 5.011 -5.244 1.00 0.00 C ATOM 180 O MET A 15 -2.901 6.131 -4.971 1.00 0.00 O ATOM 181 CB MET A 15 -5.690 4.228 -4.658 1.00 0.00 C ATOM 182 CG MET A 15 -5.988 5.334 -3.548 1.00 0.00 C ATOM 183 SD MET A 15 -7.020 6.673 -4.275 1.00 0.00 S ATOM 184 CE MET A 15 -7.154 7.725 -2.823 1.00 0.00 C ATOM 0 H MET A 15 -5.168 2.923 -6.724 1.00 0.00 H new ATOM 0 HA MET A 15 -5.117 5.731 -6.158 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.629 3.896 -5.101 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.233 3.357 -4.189 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.503 4.883 -2.700 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.052 5.746 -3.170 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.752 8.604 -3.064 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.632 7.171 -2.015 1.00 0.00 H new ATOM 0 HE3 MET A 15 -6.159 8.039 -2.508 1.00 0.00 H new ATOM 194 N MET A 16 -2.523 3.900 -5.051 1.00 0.00 N ATOM 195 CA MET A 16 -1.128 3.953 -4.480 1.00 0.00 C ATOM 196 C MET A 16 -0.138 4.732 -5.397 1.00 0.00 C ATOM 197 O MET A 16 0.670 5.533 -4.902 1.00 0.00 O ATOM 198 CB MET A 16 -0.607 2.466 -4.302 1.00 0.00 C ATOM 199 CG MET A 16 -1.309 1.717 -3.086 1.00 0.00 C ATOM 200 SD MET A 16 -0.840 2.475 -1.475 1.00 0.00 S ATOM 201 CE MET A 16 0.601 1.446 -1.073 1.00 0.00 C ATOM 0 H MET A 16 -2.840 2.957 -5.278 1.00 0.00 H new ATOM 0 HA MET A 16 -1.172 4.480 -3.527 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.787 1.909 -5.221 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.471 2.479 -4.143 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.391 1.756 -3.208 1.00 0.00 H new ATOM 0 HG3 MET A 16 -1.026 0.664 -3.092 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.231 1.968 -0.353 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.266 0.501 -0.645 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.173 1.250 -1.980 1.00 0.00 H new ATOM 211 N GLU A 17 -0.201 4.486 -6.729 1.00 0.00 N ATOM 212 CA GLU A 17 0.706 5.173 -7.704 1.00 0.00 C ATOM 213 C GLU A 17 0.316 6.678 -7.814 1.00 0.00 C ATOM 214 O GLU A 17 1.141 7.514 -8.134 1.00 0.00 O ATOM 215 CB GLU A 17 0.684 4.411 -9.111 1.00 0.00 C ATOM 216 CG GLU A 17 -0.615 4.730 -9.932 1.00 0.00 C ATOM 217 CD GLU A 17 -0.762 3.806 -11.160 1.00 0.00 C ATOM 218 OE1 GLU A 17 -0.805 2.606 -10.960 1.00 0.00 O ATOM 219 OE2 GLU A 17 -0.853 4.317 -12.270 1.00 0.00 O ATOM 0 H GLU A 17 -0.856 3.830 -7.155 1.00 0.00 H new ATOM 0 HA GLU A 17 1.736 5.136 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.560 4.698 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.752 3.336 -8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.488 4.619 -9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.591 5.769 -10.260 1.00 0.00 H new ATOM 226 N GLU A 18 -1.005 6.974 -7.584 1.00 0.00 N ATOM 227 CA GLU A 18 -1.564 8.377 -7.657 1.00 0.00 C ATOM 228 C GLU A 18 -1.510 9.069 -6.270 1.00 0.00 C ATOM 229 O GLU A 18 -1.618 10.298 -6.194 1.00 0.00 O ATOM 230 CB GLU A 18 -3.073 8.336 -8.145 1.00 0.00 C ATOM 231 CG GLU A 18 -3.186 7.876 -9.669 1.00 0.00 C ATOM 232 CD GLU A 18 -4.665 7.747 -10.123 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.555 8.026 -9.324 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.878 7.369 -11.259 1.00 0.00 O ATOM 0 H GLU A 18 -1.702 6.268 -7.348 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.956 8.942 -8.364 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.641 7.652 -7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.521 9.323 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.672 8.596 -10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.681 6.919 -9.798 1.00 0.00 H new ATOM 241 N ALA A 19 -1.368 8.266 -5.177 1.00 0.00 N ATOM 242 CA ALA A 19 -1.326 8.801 -3.784 1.00 0.00 C ATOM 243 C ALA A 19 0.121 9.103 -3.371 1.00 0.00 C ATOM 244 O ALA A 19 0.378 9.259 -2.175 1.00 0.00 O ATOM 245 CB ALA A 19 -1.971 7.754 -2.781 1.00 0.00 C ATOM 0 H ALA A 19 -1.281 7.251 -5.233 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.899 9.727 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.936 8.152 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.008 7.571 -3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.413 6.819 -2.823 1.00 0.00 H new ATOM 251 N LYS A 20 1.095 9.089 -4.375 1.00 0.00 N ATOM 252 CA LYS A 20 2.573 9.262 -4.083 1.00 0.00 C ATOM 253 C LYS A 20 2.750 10.018 -2.761 1.00 0.00 C ATOM 254 O LYS A 20 2.297 11.158 -2.627 1.00 0.00 O ATOM 255 CB LYS A 20 3.274 10.065 -5.270 1.00 0.00 C ATOM 256 CG LYS A 20 3.351 9.218 -6.623 1.00 0.00 C ATOM 257 CD LYS A 20 4.490 8.072 -6.570 1.00 0.00 C ATOM 258 CE LYS A 20 4.551 7.263 -7.918 1.00 0.00 C ATOM 259 NZ LYS A 20 5.656 6.267 -7.836 1.00 0.00 N ATOM 0 H LYS A 20 0.881 8.963 -5.364 1.00 0.00 H new ATOM 0 HA LYS A 20 3.040 8.281 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.724 10.988 -5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.281 10.350 -4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.383 8.755 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.554 9.889 -7.457 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.460 8.529 -6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.285 7.391 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.602 6.758 -8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.716 7.940 -8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.704 5.727 -8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.558 6.761 -7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.479 5.616 -7.044 1.00 0.00 H new ATOM 273 N PHE A 21 3.353 9.317 -1.785 1.00 0.00 N ATOM 274 CA PHE A 21 3.550 9.814 -0.421 1.00 0.00 C ATOM 275 C PHE A 21 4.986 9.529 -0.003 1.00 0.00 C ATOM 276 O PHE A 21 5.718 8.827 -0.726 1.00 0.00 O ATOM 277 CB PHE A 21 2.504 9.080 0.509 1.00 0.00 C ATOM 278 CG PHE A 21 2.745 7.517 0.495 1.00 0.00 C ATOM 279 CD1 PHE A 21 2.230 6.704 -0.566 1.00 0.00 C ATOM 280 CD2 PHE A 21 3.493 6.904 1.526 1.00 0.00 C ATOM 281 CE1 PHE A 21 2.460 5.313 -0.564 1.00 0.00 C ATOM 282 CE2 PHE A 21 3.715 5.520 1.517 1.00 0.00 C ATOM 283 CZ PHE A 21 3.200 4.723 0.479 1.00 0.00 C ATOM 0 H PHE A 21 3.721 8.376 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 21 3.391 10.890 -0.347 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.588 9.457 1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.491 9.300 0.171 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.665 7.157 -1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.896 7.506 2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.069 4.700 -1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.285 5.063 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.372 3.657 0.482 1.00 0.00 H new ATOM 293 N ASN A 22 5.390 10.075 1.156 1.00 0.00 N ATOM 294 CA ASN A 22 6.759 9.888 1.685 1.00 0.00 C ATOM 295 C ASN A 22 7.160 8.333 1.665 1.00 0.00 C ATOM 296 O ASN A 22 6.448 7.526 2.267 1.00 0.00 O ATOM 297 CB ASN A 22 6.795 10.463 3.140 1.00 0.00 C ATOM 298 CG ASN A 22 6.551 11.989 3.105 1.00 0.00 C ATOM 299 OD1 ASN A 22 5.408 12.445 2.652 1.00 0.00 O flip ATOM 300 ND2 ASN A 22 7.422 12.775 3.482 1.00 0.00 N flip ATOM 0 H ASN A 22 4.791 10.650 1.748 1.00 0.00 H new ATOM 0 HA ASN A 22 7.483 10.415 1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.035 9.978 3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.759 10.250 3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.311 12.420 3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.254 13.780 3.442 1.00 0.00 H new ATOM 307 N PRO A 23 8.266 7.905 0.961 1.00 0.00 N ATOM 308 CA PRO A 23 8.657 6.431 0.873 1.00 0.00 C ATOM 309 C PRO A 23 9.142 5.874 2.223 1.00 0.00 C ATOM 310 O PRO A 23 9.237 4.650 2.386 1.00 0.00 O ATOM 311 CB PRO A 23 9.790 6.411 -0.234 1.00 0.00 C ATOM 312 CG PRO A 23 10.414 7.790 -0.165 1.00 0.00 C ATOM 313 CD PRO A 23 9.254 8.761 0.198 1.00 0.00 C ATOM 0 HA PRO A 23 7.815 5.789 0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.526 5.632 -0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.376 6.212 -1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.203 7.825 0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.868 8.062 -1.118 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.609 9.594 0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.800 9.189 -0.696 1.00 0.00 H new ATOM 321 N ARG A 24 9.474 6.788 3.174 1.00 0.00 N ATOM 322 CA ARG A 24 9.986 6.392 4.523 1.00 0.00 C ATOM 323 C ARG A 24 8.839 6.234 5.525 1.00 0.00 C ATOM 324 O ARG A 24 9.069 5.799 6.659 1.00 0.00 O ATOM 325 CB ARG A 24 11.018 7.471 5.021 1.00 0.00 C ATOM 326 CG ARG A 24 12.279 7.527 4.046 1.00 0.00 C ATOM 327 CD ARG A 24 13.279 8.651 4.494 1.00 0.00 C ATOM 328 NE ARG A 24 12.628 9.985 4.325 1.00 0.00 N ATOM 329 CZ ARG A 24 13.228 11.147 4.688 1.00 0.00 C ATOM 330 NH1 ARG A 24 14.424 11.146 5.226 1.00 0.00 N ATOM 331 NH2 ARG A 24 12.605 12.277 4.504 1.00 0.00 N ATOM 0 H ARG A 24 9.399 7.796 3.038 1.00 0.00 H new ATOM 0 HA ARG A 24 10.483 5.425 4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.539 8.449 5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.344 7.232 6.033 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.786 6.562 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.947 7.715 3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.568 8.503 5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.191 8.601 3.900 1.00 0.00 H new ATOM 0 HE ARG A 24 11.693 10.024 3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.915 10.265 5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.863 12.027 5.494 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.673 12.284 4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.050 13.154 4.774 1.00 0.00 H new ATOM 345 N ALA A 25 7.594 6.551 5.092 1.00 0.00 N ATOM 346 CA ALA A 25 6.401 6.382 5.960 1.00 0.00 C ATOM 347 C ALA A 25 6.132 4.879 6.103 1.00 0.00 C ATOM 348 O ALA A 25 6.498 4.102 5.218 1.00 0.00 O ATOM 349 CB ALA A 25 5.158 7.091 5.340 1.00 0.00 C ATOM 0 H ALA A 25 7.391 6.919 4.163 1.00 0.00 H new ATOM 0 HA ALA A 25 6.586 6.833 6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.297 6.953 5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.364 8.156 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.944 6.660 4.362 1.00 0.00 H new ATOM 355 N THR A 26 5.505 4.495 7.223 1.00 0.00 N ATOM 356 CA THR A 26 5.167 3.089 7.521 1.00 0.00 C ATOM 357 C THR A 26 3.711 2.833 7.138 1.00 0.00 C ATOM 358 O THR A 26 2.948 3.779 6.893 1.00 0.00 O ATOM 359 CB THR A 26 5.379 2.826 9.060 1.00 0.00 C ATOM 360 OG1 THR A 26 4.466 3.627 9.793 1.00 0.00 O ATOM 361 CG2 THR A 26 6.844 3.200 9.505 1.00 0.00 C ATOM 0 H THR A 26 5.216 5.148 7.951 1.00 0.00 H new ATOM 0 HA THR A 26 5.809 2.417 6.951 1.00 0.00 H new ATOM 0 HB THR A 26 5.213 1.766 9.254 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.589 3.469 10.752 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.960 3.008 10.572 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.559 2.595 8.947 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.027 4.256 9.304 1.00 0.00 H new ATOM 369 N PHE A 27 3.323 1.544 7.121 1.00 0.00 N ATOM 370 CA PHE A 27 1.941 1.136 6.802 1.00 0.00 C ATOM 371 C PHE A 27 0.933 1.741 7.815 1.00 0.00 C ATOM 372 O PHE A 27 -0.133 2.209 7.424 1.00 0.00 O ATOM 373 CB PHE A 27 1.845 -0.436 6.805 1.00 0.00 C ATOM 374 CG PHE A 27 0.351 -0.871 6.579 1.00 0.00 C ATOM 375 CD1 PHE A 27 -0.262 -0.654 5.316 1.00 0.00 C ATOM 376 CD2 PHE A 27 -0.415 -1.448 7.636 1.00 0.00 C ATOM 377 CE1 PHE A 27 -1.596 -1.014 5.113 1.00 0.00 C ATOM 378 CE2 PHE A 27 -1.749 -1.804 7.420 1.00 0.00 C ATOM 379 CZ PHE A 27 -2.343 -1.591 6.166 1.00 0.00 C ATOM 0 H PHE A 27 3.949 0.765 7.325 1.00 0.00 H new ATOM 0 HA PHE A 27 1.684 1.513 5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.478 -0.851 6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.211 -0.831 7.753 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.305 -0.210 4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.037 -1.610 8.604 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.058 -0.851 4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.325 -2.244 8.220 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.374 -1.869 6.005 1.00 0.00 H new ATOM 389 N SER A 28 1.275 1.694 9.110 1.00 0.00 N ATOM 390 CA SER A 28 0.392 2.222 10.191 1.00 0.00 C ATOM 391 C SER A 28 0.068 3.729 9.959 1.00 0.00 C ATOM 392 O SER A 28 -1.079 4.151 10.120 1.00 0.00 O ATOM 393 CB SER A 28 1.109 2.020 11.560 1.00 0.00 C ATOM 394 OG SER A 28 1.358 0.635 11.747 1.00 0.00 O ATOM 0 H SER A 28 2.153 1.299 9.447 1.00 0.00 H new ATOM 0 HA SER A 28 -0.554 1.680 10.185 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.045 2.578 11.581 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.490 2.405 12.370 1.00 0.00 H new ATOM 0 HG SER A 28 1.811 0.497 12.605 1.00 0.00 H new ATOM 400 N GLU A 29 1.085 4.514 9.555 1.00 0.00 N ATOM 401 CA GLU A 29 0.904 5.970 9.273 1.00 0.00 C ATOM 402 C GLU A 29 0.067 6.189 7.981 1.00 0.00 C ATOM 403 O GLU A 29 -0.861 7.023 7.957 1.00 0.00 O ATOM 404 CB GLU A 29 2.336 6.640 9.119 1.00 0.00 C ATOM 405 CG GLU A 29 3.140 6.628 10.502 1.00 0.00 C ATOM 406 CD GLU A 29 2.447 7.532 11.561 1.00 0.00 C ATOM 407 OE1 GLU A 29 2.210 8.687 11.249 1.00 0.00 O ATOM 408 OE2 GLU A 29 2.146 7.047 12.647 1.00 0.00 O ATOM 0 H GLU A 29 2.037 4.177 9.414 1.00 0.00 H new ATOM 0 HA GLU A 29 0.362 6.430 10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.908 6.107 8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.223 7.667 8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.207 5.607 10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.160 6.974 10.336 1.00 0.00 H new ATOM 415 N PHE A 30 0.400 5.428 6.915 1.00 0.00 N ATOM 416 CA PHE A 30 -0.318 5.514 5.616 1.00 0.00 C ATOM 417 C PHE A 30 -1.788 5.026 5.752 1.00 0.00 C ATOM 418 O PHE A 30 -2.724 5.653 5.224 1.00 0.00 O ATOM 419 CB PHE A 30 0.453 4.655 4.550 1.00 0.00 C ATOM 420 CG PHE A 30 -0.222 4.855 3.140 1.00 0.00 C ATOM 421 CD1 PHE A 30 0.056 6.029 2.382 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.169 3.912 2.639 1.00 0.00 C ATOM 423 CE1 PHE A 30 -0.586 6.243 1.154 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.798 4.135 1.404 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.514 5.300 0.666 1.00 0.00 C ATOM 0 H PHE A 30 1.160 4.747 6.925 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.350 6.555 5.295 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.500 4.955 4.511 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.433 3.602 4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.763 6.756 2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.402 3.026 3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.369 7.132 0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.501 3.411 1.019 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.009 5.472 -0.278 1.00 0.00 H new ATOM 435 N ALA A 31 -1.958 3.886 6.453 1.00 0.00 N ATOM 436 CA ALA A 31 -3.285 3.262 6.675 1.00 0.00 C ATOM 437 C ALA A 31 -4.159 4.167 7.548 1.00 0.00 C ATOM 438 O ALA A 31 -5.332 4.314 7.284 1.00 0.00 O ATOM 439 CB ALA A 31 -3.087 1.868 7.350 1.00 0.00 C ATOM 0 H ALA A 31 -1.187 3.373 6.880 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.791 3.129 5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.059 1.403 7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.486 1.231 6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.577 1.995 8.305 1.00 0.00 H new ATOM 445 N ALA A 32 -3.549 4.790 8.574 1.00 0.00 N ATOM 446 CA ALA A 32 -4.273 5.717 9.486 1.00 0.00 C ATOM 447 C ALA A 32 -4.878 6.890 8.678 1.00 0.00 C ATOM 448 O ALA A 32 -5.998 7.347 8.973 1.00 0.00 O ATOM 449 CB ALA A 32 -3.277 6.273 10.569 1.00 0.00 C ATOM 0 H ALA A 32 -2.561 4.674 8.798 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.080 5.176 9.980 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.807 6.952 11.237 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.867 5.444 11.146 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.466 6.809 10.076 1.00 0.00 H new ATOM 455 N LYS A 33 -4.139 7.363 7.651 1.00 0.00 N ATOM 456 CA LYS A 33 -4.625 8.465 6.789 1.00 0.00 C ATOM 457 C LYS A 33 -5.770 7.987 5.843 1.00 0.00 C ATOM 458 O LYS A 33 -6.754 8.720 5.643 1.00 0.00 O ATOM 459 CB LYS A 33 -3.417 9.054 5.951 1.00 0.00 C ATOM 460 CG LYS A 33 -3.860 10.353 5.120 1.00 0.00 C ATOM 461 CD LYS A 33 -2.626 10.975 4.326 1.00 0.00 C ATOM 462 CE LYS A 33 -3.068 12.261 3.533 1.00 0.00 C ATOM 463 NZ LYS A 33 -1.892 12.826 2.825 1.00 0.00 N ATOM 0 H LYS A 33 -3.217 7.006 7.400 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.037 9.247 7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.598 9.311 6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.041 8.293 5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.651 10.087 4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.273 11.099 5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.828 11.228 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.222 10.236 3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.852 12.011 2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.485 13.000 4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.179 13.676 2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.158 13.078 3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.514 12.120 2.162 1.00 0.00 H new ATOM 477 N HIS A 34 -5.601 6.775 5.229 1.00 0.00 N ATOM 478 CA HIS A 34 -6.603 6.213 4.254 1.00 0.00 C ATOM 479 C HIS A 34 -7.580 5.255 4.960 1.00 0.00 C ATOM 480 O HIS A 34 -8.413 4.646 4.306 1.00 0.00 O ATOM 481 CB HIS A 34 -5.835 5.474 3.087 1.00 0.00 C ATOM 482 CG HIS A 34 -5.060 6.498 2.253 1.00 0.00 C ATOM 483 ND1 HIS A 34 -3.794 6.936 2.613 1.00 0.00 N ATOM 484 CD2 HIS A 34 -5.383 7.197 1.108 1.00 0.00 C ATOM 485 CE1 HIS A 34 -3.409 7.856 1.707 1.00 0.00 C ATOM 486 NE2 HIS A 34 -4.340 8.051 0.770 1.00 0.00 N ATOM 0 H HIS A 34 -4.793 6.173 5.386 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.191 7.030 3.836 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.150 4.734 3.500 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.542 4.936 2.456 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.253 6.619 3.417 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.307 7.096 0.558 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.461 8.373 1.735 1.00 0.00 H new ATOM 494 N ALA A 35 -7.430 5.098 6.298 1.00 0.00 N ATOM 495 CA ALA A 35 -8.284 4.165 7.100 1.00 0.00 C ATOM 496 C ALA A 35 -9.772 4.439 6.841 1.00 0.00 C ATOM 497 O ALA A 35 -10.591 3.502 6.850 1.00 0.00 O ATOM 498 CB ALA A 35 -7.975 4.344 8.644 1.00 0.00 C ATOM 0 H ALA A 35 -6.732 5.598 6.849 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.056 3.143 6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.600 3.662 9.221 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.925 4.122 8.833 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.188 5.371 8.941 1.00 0.00 H new ATOM 504 N LYS A 36 -10.124 5.732 6.640 1.00 0.00 N ATOM 505 CA LYS A 36 -11.522 6.136 6.404 1.00 0.00 C ATOM 506 C LYS A 36 -11.925 5.884 4.937 1.00 0.00 C ATOM 507 O LYS A 36 -13.115 5.952 4.608 1.00 0.00 O ATOM 508 CB LYS A 36 -11.673 7.669 6.741 1.00 0.00 C ATOM 509 CG LYS A 36 -11.378 7.939 8.277 1.00 0.00 C ATOM 510 CD LYS A 36 -11.489 9.499 8.607 1.00 0.00 C ATOM 511 CE LYS A 36 -11.167 9.766 10.123 1.00 0.00 C ATOM 512 NZ LYS A 36 -12.125 8.983 10.959 1.00 0.00 N ATOM 0 H LYS A 36 -9.459 6.506 6.637 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.177 5.544 7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.986 8.251 6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.681 8.003 6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.084 7.381 8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.381 7.579 8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.798 10.060 7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.492 9.855 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.141 9.474 10.349 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.252 10.830 10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.112 9.345 11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.084 9.077 10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.847 7.981 10.959 1.00 0.00 H new ATOM 526 N ASP A 37 -10.925 5.589 4.053 1.00 0.00 N ATOM 527 CA ASP A 37 -11.201 5.319 2.613 1.00 0.00 C ATOM 528 C ASP A 37 -12.022 4.007 2.492 1.00 0.00 C ATOM 529 O ASP A 37 -11.754 3.038 3.198 1.00 0.00 O ATOM 530 CB ASP A 37 -9.848 5.214 1.800 1.00 0.00 C ATOM 531 CG ASP A 37 -10.110 5.316 0.275 1.00 0.00 C ATOM 532 OD1 ASP A 37 -10.891 4.521 -0.221 1.00 0.00 O ATOM 533 OD2 ASP A 37 -9.530 6.186 -0.361 1.00 0.00 O ATOM 0 H ASP A 37 -9.939 5.533 4.309 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.778 6.142 2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.170 6.009 2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.356 4.268 2.026 1.00 0.00 H new ATOM 538 N SER A 38 -13.040 4.015 1.611 1.00 0.00 N ATOM 539 CA SER A 38 -13.936 2.847 1.401 1.00 0.00 C ATOM 540 C SER A 38 -13.147 1.615 0.872 1.00 0.00 C ATOM 541 O SER A 38 -13.477 0.466 1.170 1.00 0.00 O ATOM 542 CB SER A 38 -15.080 3.247 0.421 1.00 0.00 C ATOM 543 OG SER A 38 -15.970 4.138 1.093 1.00 0.00 O ATOM 0 H SER A 38 -13.269 4.819 1.027 1.00 0.00 H new ATOM 0 HA SER A 38 -14.370 2.558 2.358 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.666 3.725 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.617 2.360 0.085 1.00 0.00 H new ATOM 0 HG SER A 38 -16.693 4.398 0.485 1.00 0.00 H new ATOM 549 N ARG A 39 -12.116 1.898 0.071 1.00 0.00 N ATOM 550 CA ARG A 39 -11.244 0.849 -0.533 1.00 0.00 C ATOM 551 C ARG A 39 -10.392 0.140 0.540 1.00 0.00 C ATOM 552 O ARG A 39 -9.938 -0.995 0.330 1.00 0.00 O ATOM 553 CB ARG A 39 -10.285 1.520 -1.585 1.00 0.00 C ATOM 554 CG ARG A 39 -11.105 2.085 -2.830 1.00 0.00 C ATOM 555 CD ARG A 39 -10.150 2.763 -3.870 1.00 0.00 C ATOM 556 NE ARG A 39 -10.949 3.283 -5.004 1.00 0.00 N ATOM 557 CZ ARG A 39 -10.390 3.940 -6.048 1.00 0.00 C ATOM 558 NH1 ARG A 39 -9.104 4.156 -6.083 1.00 0.00 N ATOM 559 NH2 ARG A 39 -11.140 4.361 -7.024 1.00 0.00 N ATOM 0 H ARG A 39 -11.851 2.849 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.883 0.107 -1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.731 2.331 -1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.551 0.791 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.652 1.273 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.845 2.807 -2.485 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.597 3.575 -3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.415 2.043 -4.229 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.959 3.141 -4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.511 3.829 -5.320 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.691 4.652 -6.873 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.146 4.196 -7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.722 4.856 -7.812 1.00 0.00 H new ATOM 573 N PHE A 40 -10.145 0.833 1.673 1.00 0.00 N ATOM 574 CA PHE A 40 -9.322 0.258 2.758 1.00 0.00 C ATOM 575 C PHE A 40 -10.063 -0.931 3.453 1.00 0.00 C ATOM 576 O PHE A 40 -9.510 -2.028 3.598 1.00 0.00 O ATOM 577 CB PHE A 40 -8.976 1.376 3.805 1.00 0.00 C ATOM 578 CG PHE A 40 -7.984 0.798 4.866 1.00 0.00 C ATOM 579 CD1 PHE A 40 -6.599 0.735 4.568 1.00 0.00 C ATOM 580 CD2 PHE A 40 -8.459 0.282 6.112 1.00 0.00 C ATOM 581 CE1 PHE A 40 -5.712 0.182 5.488 1.00 0.00 C ATOM 582 CE2 PHE A 40 -7.558 -0.279 7.023 1.00 0.00 C ATOM 583 CZ PHE A 40 -6.187 -0.330 6.716 1.00 0.00 C ATOM 0 H PHE A 40 -10.496 1.773 1.858 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.399 -0.130 2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.531 2.235 3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.885 1.728 4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.232 1.116 3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.512 0.325 6.349 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.657 0.144 5.262 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.916 -0.673 7.963 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.494 -0.763 7.422 1.00 0.00 H new ATOM 593 N LYS A 41 -11.317 -0.666 3.880 1.00 0.00 N ATOM 594 CA LYS A 41 -12.160 -1.679 4.586 1.00 0.00 C ATOM 595 C LYS A 41 -12.676 -2.755 3.608 1.00 0.00 C ATOM 596 O LYS A 41 -13.147 -3.813 4.039 1.00 0.00 O ATOM 597 CB LYS A 41 -13.389 -0.959 5.300 1.00 0.00 C ATOM 598 CG LYS A 41 -14.463 -0.432 4.236 1.00 0.00 C ATOM 599 CD LYS A 41 -15.698 0.284 4.942 1.00 0.00 C ATOM 600 CE LYS A 41 -16.775 0.724 3.872 1.00 0.00 C ATOM 601 NZ LYS A 41 -17.920 1.369 4.555 1.00 0.00 N ATOM 0 H LYS A 41 -11.775 0.237 3.753 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.542 -2.172 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.869 -1.655 5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.025 -0.122 5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.982 0.266 3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.822 -1.269 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.152 -0.393 5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.351 1.156 5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.330 1.415 3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.117 -0.144 3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.627 1.658 3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.350 0.697 5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.587 2.206 5.074 1.00 0.00 H new ATOM 615 N ALA A 42 -12.598 -2.461 2.279 1.00 0.00 N ATOM 616 CA ALA A 42 -13.068 -3.396 1.222 1.00 0.00 C ATOM 617 C ALA A 42 -12.238 -4.683 1.256 1.00 0.00 C ATOM 618 O ALA A 42 -12.776 -5.779 1.012 1.00 0.00 O ATOM 619 CB ALA A 42 -12.961 -2.697 -0.182 1.00 0.00 C ATOM 0 H ALA A 42 -12.215 -1.587 1.918 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.110 -3.658 1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.305 -3.382 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.580 -1.800 -0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.923 -2.424 -0.374 1.00 0.00 H new ATOM 625 N ILE A 43 -10.943 -4.553 1.584 1.00 0.00 N ATOM 626 CA ILE A 43 -10.051 -5.713 1.685 1.00 0.00 C ATOM 627 C ILE A 43 -10.136 -6.229 3.143 1.00 0.00 C ATOM 628 O ILE A 43 -9.792 -5.507 4.091 1.00 0.00 O ATOM 629 CB ILE A 43 -8.563 -5.293 1.340 1.00 0.00 C ATOM 630 CG1 ILE A 43 -8.482 -4.679 -0.151 1.00 0.00 C ATOM 631 CG2 ILE A 43 -7.589 -6.577 1.441 1.00 0.00 C ATOM 632 CD1 ILE A 43 -7.105 -3.977 -0.404 1.00 0.00 C ATOM 0 H ILE A 43 -10.494 -3.659 1.783 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.348 -6.490 0.981 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.245 -4.536 2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.627 -5.474 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.290 -3.962 -0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.568 -6.279 1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.622 -6.980 2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.919 -7.340 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.083 -3.574 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.973 -3.166 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.300 -4.702 -0.284 1.00 0.00 H new ATOM 644 N GLU A 44 -10.580 -7.480 3.296 1.00 0.00 N ATOM 645 CA GLU A 44 -10.715 -8.159 4.609 1.00 0.00 C ATOM 646 C GLU A 44 -9.318 -8.484 5.211 1.00 0.00 C ATOM 647 O GLU A 44 -9.098 -8.329 6.419 1.00 0.00 O ATOM 648 CB GLU A 44 -11.573 -9.505 4.432 1.00 0.00 C ATOM 649 CG GLU A 44 -11.340 -10.143 2.989 1.00 0.00 C ATOM 650 CD GLU A 44 -11.930 -11.563 2.884 1.00 0.00 C ATOM 651 OE1 GLU A 44 -13.032 -11.762 3.369 1.00 0.00 O ATOM 652 OE2 GLU A 44 -11.276 -12.422 2.306 1.00 0.00 O ATOM 0 H GLU A 44 -10.862 -8.065 2.509 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.231 -7.490 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.292 -10.224 5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.632 -9.287 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.795 -9.504 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.272 -10.178 2.776 1.00 0.00 H new ATOM 659 N LYS A 45 -8.399 -9.001 4.341 1.00 0.00 N ATOM 660 CA LYS A 45 -7.034 -9.423 4.771 1.00 0.00 C ATOM 661 C LYS A 45 -6.065 -8.216 4.903 1.00 0.00 C ATOM 662 O LYS A 45 -5.637 -7.625 3.909 1.00 0.00 O ATOM 663 CB LYS A 45 -6.451 -10.445 3.708 1.00 0.00 C ATOM 664 CG LYS A 45 -7.292 -11.805 3.686 1.00 0.00 C ATOM 665 CD LYS A 45 -6.696 -12.821 2.602 1.00 0.00 C ATOM 666 CE LYS A 45 -7.520 -14.161 2.559 1.00 0.00 C ATOM 667 NZ LYS A 45 -6.924 -15.064 1.538 1.00 0.00 N ATOM 0 H LYS A 45 -8.579 -9.134 3.346 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.120 -9.890 5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.465 -9.990 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.409 -10.663 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.273 -12.266 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.335 -11.590 3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.707 -12.353 1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.655 -13.039 2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.510 -14.641 3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.562 -13.954 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.463 -15.953 1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.956 -14.603 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.936 -15.268 1.790 1.00 0.00 H new ATOM 681 N MET A 46 -5.684 -7.929 6.157 1.00 0.00 N ATOM 682 CA MET A 46 -4.717 -6.862 6.507 1.00 0.00 C ATOM 683 C MET A 46 -3.308 -7.231 5.972 1.00 0.00 C ATOM 684 O MET A 46 -2.510 -6.356 5.615 1.00 0.00 O ATOM 685 CB MET A 46 -4.714 -6.698 8.079 1.00 0.00 C ATOM 686 CG MET A 46 -6.111 -6.126 8.578 1.00 0.00 C ATOM 687 SD MET A 46 -6.129 -5.995 10.408 1.00 0.00 S ATOM 688 CE MET A 46 -5.355 -4.355 10.600 1.00 0.00 C ATOM 0 H MET A 46 -6.039 -8.433 6.970 1.00 0.00 H new ATOM 0 HA MET A 46 -5.002 -5.915 6.048 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.518 -7.661 8.551 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.910 -6.026 8.380 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.290 -5.146 8.135 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.918 -6.778 8.245 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.284 -4.108 11.659 1.00 0.00 H new ATOM 0 HE2 MET A 46 -4.357 -4.370 10.163 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.961 -3.605 10.093 1.00 0.00 H new ATOM 698 N LYS A 47 -3.011 -8.555 5.968 1.00 0.00 N ATOM 699 CA LYS A 47 -1.697 -9.090 5.515 1.00 0.00 C ATOM 700 C LYS A 47 -1.442 -8.753 4.023 1.00 0.00 C ATOM 701 O LYS A 47 -0.310 -8.440 3.636 1.00 0.00 O ATOM 702 CB LYS A 47 -1.665 -10.656 5.710 1.00 0.00 C ATOM 703 CG LYS A 47 -1.720 -11.046 7.250 1.00 0.00 C ATOM 704 CD LYS A 47 -1.708 -12.635 7.428 1.00 0.00 C ATOM 705 CE LYS A 47 -1.776 -13.026 8.948 1.00 0.00 C ATOM 706 NZ LYS A 47 -0.574 -12.469 9.641 1.00 0.00 N ATOM 0 H LYS A 47 -3.665 -9.276 6.274 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.915 -8.624 6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.509 -11.107 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.758 -11.062 5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.868 -10.610 7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.619 -10.630 7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.554 -13.071 6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.804 -13.049 6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.688 -12.633 9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.807 -14.110 9.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.478 -12.910 10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.276 -12.669 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.682 -11.441 9.751 1.00 0.00 H new ATOM 720 N ASP A 48 -2.522 -8.826 3.182 1.00 0.00 N ATOM 721 CA ASP A 48 -2.412 -8.516 1.729 1.00 0.00 C ATOM 722 C ASP A 48 -2.057 -7.013 1.543 1.00 0.00 C ATOM 723 O ASP A 48 -1.196 -6.666 0.735 1.00 0.00 O ATOM 724 CB ASP A 48 -3.761 -8.893 1.013 1.00 0.00 C ATOM 725 CG ASP A 48 -3.693 -8.612 -0.513 1.00 0.00 C ATOM 726 OD1 ASP A 48 -2.913 -9.275 -1.177 1.00 0.00 O ATOM 727 OD2 ASP A 48 -4.417 -7.741 -0.982 1.00 0.00 O ATOM 0 H ASP A 48 -3.459 -9.092 3.484 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.615 -9.104 1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.981 -9.947 1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.579 -8.323 1.453 1.00 0.00 H new ATOM 732 N ARG A 49 -2.695 -6.138 2.351 1.00 0.00 N ATOM 733 CA ARG A 49 -2.401 -4.673 2.323 1.00 0.00 C ATOM 734 C ARG A 49 -0.953 -4.401 2.775 1.00 0.00 C ATOM 735 O ARG A 49 -0.241 -3.589 2.163 1.00 0.00 O ATOM 736 CB ARG A 49 -3.437 -3.906 3.232 1.00 0.00 C ATOM 737 CG ARG A 49 -4.867 -3.832 2.532 1.00 0.00 C ATOM 738 CD ARG A 49 -5.956 -3.188 3.474 1.00 0.00 C ATOM 739 NE ARG A 49 -6.401 -4.190 4.488 1.00 0.00 N ATOM 740 CZ ARG A 49 -7.396 -3.940 5.377 1.00 0.00 C ATOM 741 NH1 ARG A 49 -7.911 -2.752 5.484 1.00 0.00 N ATOM 742 NH2 ARG A 49 -7.838 -4.897 6.135 1.00 0.00 N ATOM 0 H ARG A 49 -3.410 -6.408 3.026 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.500 -4.308 1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.525 -4.410 4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.074 -2.898 3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.791 -3.249 1.614 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.183 -4.835 2.247 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.546 -2.310 3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.808 -2.851 2.884 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.939 -5.099 4.514 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.568 -1.993 4.896 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.658 -2.579 6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.438 -5.832 6.061 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.585 -4.714 6.804 1.00 0.00 H new ATOM 756 N GLU A 50 -0.518 -5.102 3.858 1.00 0.00 N ATOM 757 CA GLU A 50 0.864 -4.938 4.388 1.00 0.00 C ATOM 758 C GLU A 50 1.891 -5.446 3.326 1.00 0.00 C ATOM 759 O GLU A 50 2.931 -4.814 3.103 1.00 0.00 O ATOM 760 CB GLU A 50 1.004 -5.741 5.748 1.00 0.00 C ATOM 761 CG GLU A 50 2.428 -5.479 6.439 1.00 0.00 C ATOM 762 CD GLU A 50 2.554 -6.253 7.768 1.00 0.00 C ATOM 763 OE1 GLU A 50 2.254 -7.436 7.765 1.00 0.00 O ATOM 764 OE2 GLU A 50 2.962 -5.656 8.755 1.00 0.00 O ATOM 0 H GLU A 50 -1.091 -5.772 4.371 1.00 0.00 H new ATOM 0 HA GLU A 50 1.068 -3.886 4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.207 -5.446 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.881 -6.807 5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.226 -5.783 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.555 -4.412 6.623 1.00 0.00 H new ATOM 771 N ALA A 51 1.576 -6.602 2.681 1.00 0.00 N ATOM 772 CA ALA A 51 2.455 -7.203 1.635 1.00 0.00 C ATOM 773 C ALA A 51 2.630 -6.219 0.446 1.00 0.00 C ATOM 774 O ALA A 51 3.751 -5.978 -0.028 1.00 0.00 O ATOM 775 CB ALA A 51 1.800 -8.538 1.136 1.00 0.00 C ATOM 0 H ALA A 51 0.726 -7.135 2.864 1.00 0.00 H new ATOM 0 HA ALA A 51 3.439 -7.407 2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.431 -8.989 0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.696 -9.228 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.817 -8.326 0.716 1.00 0.00 H new ATOM 781 N LEU A 52 1.490 -5.644 -0.010 1.00 0.00 N ATOM 782 CA LEU A 52 1.473 -4.660 -1.127 1.00 0.00 C ATOM 783 C LEU A 52 2.249 -3.392 -0.752 1.00 0.00 C ATOM 784 O LEU A 52 2.981 -2.844 -1.571 1.00 0.00 O ATOM 785 CB LEU A 52 -0.030 -4.295 -1.467 1.00 0.00 C ATOM 786 CG LEU A 52 -0.807 -5.522 -2.197 1.00 0.00 C ATOM 787 CD1 LEU A 52 -2.372 -5.285 -2.161 1.00 0.00 C ATOM 788 CD2 LEU A 52 -0.331 -5.665 -3.722 1.00 0.00 C ATOM 0 H LEU A 52 0.568 -5.844 0.378 1.00 0.00 H new ATOM 0 HA LEU A 52 1.955 -5.103 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.555 -4.029 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.052 -3.417 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.567 -6.439 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.877 -6.116 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.706 -5.220 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.611 -4.356 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.863 -6.492 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.547 -4.741 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.741 -5.859 -3.752 1.00 0.00 H new ATOM 800 N PHE A 53 2.049 -2.922 0.503 1.00 0.00 N ATOM 801 CA PHE A 53 2.716 -1.701 1.005 1.00 0.00 C ATOM 802 C PHE A 53 4.256 -1.884 0.975 1.00 0.00 C ATOM 803 O PHE A 53 4.992 -1.018 0.491 1.00 0.00 O ATOM 804 CB PHE A 53 2.223 -1.431 2.473 1.00 0.00 C ATOM 805 CG PHE A 53 2.848 -0.084 2.986 1.00 0.00 C ATOM 806 CD1 PHE A 53 2.210 1.148 2.693 1.00 0.00 C ATOM 807 CD2 PHE A 53 4.081 -0.079 3.703 1.00 0.00 C ATOM 808 CE1 PHE A 53 2.785 2.346 3.106 1.00 0.00 C ATOM 809 CE2 PHE A 53 4.645 1.134 4.111 1.00 0.00 C ATOM 810 CZ PHE A 53 3.998 2.345 3.811 1.00 0.00 C ATOM 0 H PHE A 53 1.433 -3.369 1.182 1.00 0.00 H new ATOM 0 HA PHE A 53 2.464 -0.851 0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.135 -1.375 2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.516 -2.254 3.125 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.277 1.157 2.149 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.578 -1.010 3.930 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.295 3.282 2.883 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.577 1.140 4.656 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.437 3.280 4.125 1.00 0.00 H new ATOM 820 N ASN A 54 4.716 -3.034 1.501 1.00 0.00 N ATOM 821 CA ASN A 54 6.168 -3.364 1.548 1.00 0.00 C ATOM 822 C ASN A 54 6.725 -3.467 0.099 1.00 0.00 C ATOM 823 O ASN A 54 7.830 -2.979 -0.195 1.00 0.00 O ATOM 824 CB ASN A 54 6.366 -4.736 2.299 1.00 0.00 C ATOM 825 CG ASN A 54 6.001 -4.623 3.803 1.00 0.00 C ATOM 826 OD1 ASN A 54 6.223 -3.586 4.435 1.00 0.00 O ATOM 827 ND2 ASN A 54 5.454 -5.642 4.404 1.00 0.00 N ATOM 0 H ASN A 54 4.113 -3.753 1.900 1.00 0.00 H new ATOM 0 HA ASN A 54 6.706 -2.580 2.081 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.746 -5.501 1.830 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.402 -5.060 2.199 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.211 -5.581 5.393 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.269 -6.501 3.886 1.00 0.00 H new ATOM 834 N GLU A 55 5.924 -4.106 -0.802 1.00 0.00 N ATOM 835 CA GLU A 55 6.312 -4.274 -2.225 1.00 0.00 C ATOM 836 C GLU A 55 6.318 -2.902 -2.933 1.00 0.00 C ATOM 837 O GLU A 55 7.187 -2.634 -3.764 1.00 0.00 O ATOM 838 CB GLU A 55 5.301 -5.264 -2.950 1.00 0.00 C ATOM 839 CG GLU A 55 5.767 -5.587 -4.457 1.00 0.00 C ATOM 840 CD GLU A 55 4.791 -6.569 -5.146 1.00 0.00 C ATOM 841 OE1 GLU A 55 3.597 -6.330 -5.069 1.00 0.00 O ATOM 842 OE2 GLU A 55 5.255 -7.535 -5.740 1.00 0.00 O ATOM 0 H GLU A 55 5.016 -4.507 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 55 7.314 -4.699 -2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.231 -6.192 -2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.305 -4.822 -2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.821 -4.661 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.770 -6.014 -4.447 1.00 0.00 H new ATOM 849 N PHE A 56 5.297 -2.048 -2.623 1.00 0.00 N ATOM 850 CA PHE A 56 5.163 -0.716 -3.256 1.00 0.00 C ATOM 851 C PHE A 56 6.386 0.174 -2.927 1.00 0.00 C ATOM 852 O PHE A 56 6.966 0.789 -3.818 1.00 0.00 O ATOM 853 CB PHE A 56 3.834 -0.026 -2.756 1.00 0.00 C ATOM 854 CG PHE A 56 3.699 1.394 -3.436 1.00 0.00 C ATOM 855 CD1 PHE A 56 3.245 1.498 -4.782 1.00 0.00 C ATOM 856 CD2 PHE A 56 4.082 2.581 -2.738 1.00 0.00 C ATOM 857 CE1 PHE A 56 3.166 2.755 -5.406 1.00 0.00 C ATOM 858 CE2 PHE A 56 3.992 3.830 -3.372 1.00 0.00 C ATOM 859 CZ PHE A 56 3.540 3.918 -4.704 1.00 0.00 C ATOM 0 H PHE A 56 4.566 -2.263 -1.945 1.00 0.00 H new ATOM 0 HA PHE A 56 5.119 -0.843 -4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.972 -0.645 -3.005 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.849 0.077 -1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.961 0.609 -5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.441 2.517 -1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.818 2.830 -6.426 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.270 4.726 -2.837 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.480 4.881 -5.189 1.00 0.00 H new ATOM 869 N VAL A 57 6.762 0.226 -1.629 1.00 0.00 N ATOM 870 CA VAL A 57 7.924 1.041 -1.174 1.00 0.00 C ATOM 871 C VAL A 57 9.224 0.501 -1.808 1.00 0.00 C ATOM 872 O VAL A 57 10.066 1.277 -2.290 1.00 0.00 O ATOM 873 CB VAL A 57 7.999 0.989 0.426 1.00 0.00 C ATOM 874 CG1 VAL A 57 9.345 1.661 0.980 1.00 0.00 C ATOM 875 CG2 VAL A 57 6.737 1.749 1.055 1.00 0.00 C ATOM 0 H VAL A 57 6.287 -0.279 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 57 7.802 2.077 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 57 7.993 -0.060 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.358 1.606 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.208 1.130 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.385 2.705 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.794 1.710 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.739 2.789 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.818 1.266 0.722 1.00 0.00 H new ATOM 885 N ALA A 58 9.380 -0.842 -1.786 1.00 0.00 N ATOM 886 CA ALA A 58 10.579 -1.505 -2.351 1.00 0.00 C ATOM 887 C ALA A 58 10.643 -1.307 -3.892 1.00 0.00 C ATOM 888 O ALA A 58 11.715 -1.061 -4.452 1.00 0.00 O ATOM 889 CB ALA A 58 10.539 -3.030 -1.982 1.00 0.00 C ATOM 0 H ALA A 58 8.696 -1.485 -1.386 1.00 0.00 H new ATOM 0 HA ALA A 58 11.477 -1.056 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.417 -3.527 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.533 -3.142 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.638 -3.482 -2.398 1.00 0.00 H new ATOM 895 N ALA A 59 9.461 -1.407 -4.559 1.00 0.00 N ATOM 896 CA ALA A 59 9.350 -1.227 -6.032 1.00 0.00 C ATOM 897 C ALA A 59 9.506 0.265 -6.435 1.00 0.00 C ATOM 898 O ALA A 59 10.137 0.580 -7.455 1.00 0.00 O ATOM 899 CB ALA A 59 7.955 -1.775 -6.500 1.00 0.00 C ATOM 0 H ALA A 59 8.573 -1.611 -4.100 1.00 0.00 H new ATOM 0 HA ALA A 59 10.154 -1.780 -6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.858 -1.650 -7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.877 -2.833 -6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.160 -1.223 -5.998 1.00 0.00 H new ATOM 905 N ALA A 60 8.881 1.179 -5.634 1.00 0.00 N ATOM 906 CA ALA A 60 8.913 2.643 -5.921 1.00 0.00 C ATOM 907 C ALA A 60 10.350 3.202 -5.779 1.00 0.00 C ATOM 908 O ALA A 60 10.786 4.037 -6.588 1.00 0.00 O ATOM 909 CB ALA A 60 7.938 3.387 -4.928 1.00 0.00 C ATOM 0 H ALA A 60 8.356 0.930 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 60 8.588 2.810 -6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.957 4.457 -5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.924 3.010 -5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.258 3.208 -3.902 1.00 0.00 H new ATOM 915 N ARG A 61 11.082 2.724 -4.730 1.00 0.00 N ATOM 916 CA ARG A 61 12.473 3.183 -4.481 1.00 0.00 C ATOM 917 C ARG A 61 13.438 2.606 -5.553 1.00 0.00 C ATOM 918 O ARG A 61 14.347 3.310 -6.024 1.00 0.00 O ATOM 919 CB ARG A 61 12.913 2.761 -3.020 1.00 0.00 C ATOM 920 CG ARG A 61 14.379 3.305 -2.654 1.00 0.00 C ATOM 921 CD ARG A 61 14.778 2.906 -1.184 1.00 0.00 C ATOM 922 NE ARG A 61 13.877 3.598 -0.224 1.00 0.00 N ATOM 923 CZ ARG A 61 13.968 3.437 1.124 1.00 0.00 C ATOM 924 NH1 ARG A 61 14.880 2.651 1.653 1.00 0.00 N ATOM 925 NH2 ARG A 61 13.138 4.073 1.900 1.00 0.00 N ATOM 0 H ARG A 61 10.737 2.037 -4.060 1.00 0.00 H new ATOM 0 HA ARG A 61 12.516 4.270 -4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.192 3.146 -2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.898 1.674 -2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.107 2.898 -3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.405 4.389 -2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 61 14.704 1.826 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.815 3.180 -0.989 1.00 0.00 H new ATOM 0 HE ARG A 61 13.159 4.221 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.533 2.150 1.051 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.934 2.542 2.666 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.429 4.684 1.496 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.197 3.960 2.912 1.00 0.00 H new