USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 858 hydrogens (32 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 NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 107 HECFE :(H bumps) USER MOD NoAdj-H: A 107 HEC HAC : A 107 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC HAB : A 107 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC H2A : A 107 HEC O2A : A 107 HEC CGA :(short bond) USER MOD Set 1.1: A 72 MET CE :methyl -121:sc=-0.00654 (180deg=0) USER MOD Set 1.2: A 107 HEC O2D : rot 178:sc= 0.0487 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0835 X(o=-0.083,f=-0.38) USER MOD Single : A 8 THR OG1 : rot -73:sc= 1.26 USER MOD Single : A 11 SER OG : rot 66:sc= 1.05 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 103:sc= 1.26 USER MOD Single : A 18 ASN : amide:sc= 0.396 K(o=0.4,f=-0.9) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot -29:sc= 0.269 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 52 MET CE :methyl -122:sc= 0 (180deg=-0.00585) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -156:sc= -0.0968 (180deg=-0.685) USER MOD Single : A 66 GLN : amide:sc= 0.295 X(o=0.29,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0817 K(o=-0.082,f=-0.73) USER MOD Single : A 74 ASN : amide:sc= 1.02 K(o=1,f=-2.5!) USER MOD Single : A 75 MET CE :methyl 165:sc= 0 (180deg=-0.134) USER MOD Single : A 83 SER OG : rot -160:sc= 1.37 USER MOD Single : A 87 SER OG : rot 79:sc= 0.125 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 80:sc= 1.5 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 158:sc= 1.23 USER MOD Single : A 102 ASN : amide:sc=-0.00828 K(o=-0.0083,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.345 6.597 6.787 1.00 2.20 N ATOM 2 CA SER A 1 12.422 6.709 5.652 1.00 2.35 C ATOM 3 C SER A 1 11.261 5.720 5.771 1.00 1.76 C ATOM 4 O SER A 1 11.473 4.538 6.039 1.00 2.76 O ATOM 5 CB SER A 1 13.167 6.413 4.343 1.00 3.21 C ATOM 6 OG SER A 1 14.167 7.380 4.081 1.00 4.01 O ATOM 0 H1 SER A 1 14.120 7.282 6.673 1.00 2.20 H new ATOM 0 H2 SER A 1 12.834 6.796 7.671 1.00 2.20 H new ATOM 0 H3 SER A 1 13.737 5.634 6.822 1.00 2.20 H new ATOM 0 HA SER A 1 12.028 7.725 5.654 1.00 2.35 H new ATOM 0 HB2 SER A 1 13.622 5.424 4.399 1.00 3.21 H new ATOM 0 HB3 SER A 1 12.457 6.391 3.517 1.00 3.21 H new ATOM 0 HG SER A 1 14.623 7.160 3.242 1.00 4.01 H new ATOM 12 N GLY A 2 10.027 6.196 5.578 1.00 1.51 N ATOM 13 CA GLY A 2 8.812 5.377 5.651 1.00 0.93 C ATOM 14 C GLY A 2 8.365 5.022 7.076 1.00 0.67 C ATOM 15 O GLY A 2 7.167 4.992 7.337 1.00 0.62 O ATOM 0 H GLY A 2 9.841 7.176 5.363 1.00 1.51 H new ATOM 0 HA2 GLY A 2 8.001 5.908 5.152 1.00 0.93 H new ATOM 0 HA3 GLY A 2 8.978 4.454 5.096 1.00 0.93 H new ATOM 19 N GLU A 3 9.298 4.805 8.008 1.00 0.86 N ATOM 20 CA GLU A 3 9.016 4.347 9.375 1.00 0.99 C ATOM 21 C GLU A 3 8.115 5.313 10.159 1.00 0.86 C ATOM 22 O GLU A 3 7.090 4.897 10.707 1.00 0.96 O ATOM 23 CB GLU A 3 10.351 4.114 10.112 1.00 1.50 C ATOM 24 CG GLU A 3 10.163 3.559 11.530 1.00 1.82 C ATOM 25 CD GLU A 3 11.510 3.213 12.173 1.00 2.82 C ATOM 26 OE1 GLU A 3 12.242 4.119 12.638 1.00 3.60 O ATOM 27 OE2 GLU A 3 11.881 2.019 12.199 1.00 3.49 O ATOM 0 H GLU A 3 10.293 4.945 7.831 1.00 0.86 H new ATOM 0 HA GLU A 3 8.459 3.413 9.307 1.00 0.99 H new ATOM 0 HB2 GLU A 3 10.963 3.421 9.534 1.00 1.50 H new ATOM 0 HB3 GLU A 3 10.899 5.055 10.165 1.00 1.50 H new ATOM 0 HG2 GLU A 3 9.642 4.293 12.144 1.00 1.82 H new ATOM 0 HG3 GLU A 3 9.535 2.669 11.495 1.00 1.82 H new ATOM 34 N GLN A 4 8.458 6.605 10.194 1.00 0.81 N ATOM 35 CA GLN A 4 7.660 7.616 10.893 1.00 0.81 C ATOM 36 C GLN A 4 6.440 8.049 10.070 1.00 0.77 C ATOM 37 O GLN A 4 5.403 8.368 10.651 1.00 0.90 O ATOM 38 CB GLN A 4 8.528 8.810 11.334 1.00 0.97 C ATOM 39 CG GLN A 4 9.750 8.405 12.186 1.00 2.03 C ATOM 40 CD GLN A 4 9.402 7.505 13.372 1.00 3.25 C ATOM 41 OE1 GLN A 4 8.439 7.709 14.103 1.00 3.95 O ATOM 42 NE2 GLN A 4 10.181 6.484 13.636 1.00 4.65 N ATOM 0 H GLN A 4 9.292 6.977 9.741 1.00 0.81 H new ATOM 0 HA GLN A 4 7.269 7.157 11.801 1.00 0.81 H new ATOM 0 HB2 GLN A 4 8.874 9.344 10.449 1.00 0.97 H new ATOM 0 HB3 GLN A 4 7.912 9.505 11.905 1.00 0.97 H new ATOM 0 HG2 GLN A 4 10.471 7.891 11.550 1.00 2.03 H new ATOM 0 HG3 GLN A 4 10.238 9.306 12.556 1.00 2.03 H new ATOM 0 HE21 GLN A 4 10.989 6.292 13.043 1.00 4.65 H new ATOM 0 HE22 GLN A 4 9.979 5.881 14.434 1.00 4.65 H new ATOM 51 N ILE A 5 6.491 7.958 8.732 1.00 0.68 N ATOM 52 CA ILE A 5 5.299 8.127 7.881 1.00 0.66 C ATOM 53 C ILE A 5 4.250 7.056 8.234 1.00 0.68 C ATOM 54 O ILE A 5 3.084 7.382 8.449 1.00 0.78 O ATOM 55 CB ILE A 5 5.648 8.130 6.370 1.00 0.70 C ATOM 56 CG1 ILE A 5 6.714 9.201 6.030 1.00 0.79 C ATOM 57 CG2 ILE A 5 4.373 8.409 5.549 1.00 0.83 C ATOM 58 CD1 ILE A 5 7.196 9.179 4.572 1.00 1.01 C ATOM 0 H ILE A 5 7.348 7.768 8.213 1.00 0.68 H new ATOM 0 HA ILE A 5 4.871 9.108 8.085 1.00 0.66 H new ATOM 0 HB ILE A 5 6.057 7.151 6.120 1.00 0.70 H new ATOM 0 HG12 ILE A 5 6.303 10.187 6.249 1.00 0.79 H new ATOM 0 HG13 ILE A 5 7.573 9.061 6.686 1.00 0.79 H new ATOM 0 HG21 ILE A 5 4.617 8.411 4.487 1.00 0.83 H new ATOM 0 HG22 ILE A 5 3.634 7.633 5.750 1.00 0.83 H new ATOM 0 HG23 ILE A 5 3.965 9.380 5.829 1.00 0.83 H new ATOM 0 HD11 ILE A 5 7.940 9.961 4.423 1.00 1.01 H new ATOM 0 HD12 ILE A 5 7.640 8.209 4.350 1.00 1.01 H new ATOM 0 HD13 ILE A 5 6.350 9.352 3.907 1.00 1.01 H new ATOM 70 N PHE A 6 4.658 5.794 8.409 1.00 0.65 N ATOM 71 CA PHE A 6 3.759 4.713 8.821 1.00 0.76 C ATOM 72 C PHE A 6 3.173 4.938 10.226 1.00 0.91 C ATOM 73 O PHE A 6 1.975 4.733 10.438 1.00 1.12 O ATOM 74 CB PHE A 6 4.484 3.362 8.717 1.00 0.73 C ATOM 75 CG PHE A 6 3.550 2.187 8.940 1.00 0.86 C ATOM 76 CD1 PHE A 6 2.778 1.699 7.871 1.00 1.44 C ATOM 77 CD2 PHE A 6 3.389 1.637 10.226 1.00 1.56 C ATOM 78 CE1 PHE A 6 1.815 0.697 8.093 1.00 1.62 C ATOM 79 CE2 PHE A 6 2.431 0.629 10.447 1.00 1.70 C ATOM 80 CZ PHE A 6 1.639 0.167 9.382 1.00 1.32 C ATOM 0 H PHE A 6 5.623 5.494 8.268 1.00 0.65 H new ATOM 0 HA PHE A 6 2.908 4.707 8.140 1.00 0.76 H new ATOM 0 HB2 PHE A 6 4.945 3.275 7.733 1.00 0.73 H new ATOM 0 HB3 PHE A 6 5.289 3.327 9.451 1.00 0.73 H new ATOM 0 HD1 PHE A 6 2.924 2.094 6.877 1.00 1.44 H new ATOM 0 HD2 PHE A 6 4.001 1.989 11.044 1.00 1.56 H new ATOM 0 HE1 PHE A 6 1.212 0.336 7.273 1.00 1.62 H new ATOM 0 HE2 PHE A 6 2.305 0.211 11.435 1.00 1.70 H new ATOM 0 HZ PHE A 6 0.894 -0.596 9.555 1.00 1.32 H new ATOM 90 N ARG A 7 3.989 5.423 11.176 1.00 0.90 N ATOM 91 CA ARG A 7 3.571 5.746 12.559 1.00 1.10 C ATOM 92 C ARG A 7 2.620 6.953 12.645 1.00 1.18 C ATOM 93 O ARG A 7 1.849 7.060 13.600 1.00 1.43 O ATOM 94 CB ARG A 7 4.845 5.960 13.396 1.00 1.17 C ATOM 95 CG ARG A 7 4.599 5.841 14.908 1.00 1.45 C ATOM 96 CD ARG A 7 5.920 5.990 15.673 1.00 2.47 C ATOM 97 NE ARG A 7 5.744 5.808 17.123 1.00 2.99 N ATOM 98 CZ ARG A 7 5.977 4.681 17.823 1.00 3.64 C ATOM 99 NH1 ARG A 7 6.354 3.538 17.228 1.00 4.03 N ATOM 100 NH2 ARG A 7 5.824 4.700 19.154 1.00 4.42 N ATOM 0 H ARG A 7 4.978 5.607 11.006 1.00 0.90 H new ATOM 0 HA ARG A 7 2.990 4.913 12.954 1.00 1.10 H new ATOM 0 HB2 ARG A 7 5.596 5.229 13.097 1.00 1.17 H new ATOM 0 HB3 ARG A 7 5.255 6.946 13.177 1.00 1.17 H new ATOM 0 HG2 ARG A 7 3.895 6.608 15.231 1.00 1.45 H new ATOM 0 HG3 ARG A 7 4.146 4.876 15.135 1.00 1.45 H new ATOM 0 HD2 ARG A 7 6.638 5.259 15.301 1.00 2.47 H new ATOM 0 HD3 ARG A 7 6.341 6.977 15.480 1.00 2.47 H new ATOM 0 HE ARG A 7 5.413 6.616 17.650 1.00 2.99 H new ATOM 0 HH11 ARG A 7 6.472 3.505 16.215 1.00 4.03 H new ATOM 0 HH12 ARG A 7 6.522 2.703 17.789 1.00 4.03 H new ATOM 0 HH21 ARG A 7 5.535 5.559 19.622 1.00 4.42 H new ATOM 0 HH22 ARG A 7 5.996 3.855 19.699 1.00 4.42 H new ATOM 114 N THR A 8 2.642 7.851 11.657 1.00 1.03 N ATOM 115 CA THR A 8 1.836 9.090 11.643 1.00 1.14 C ATOM 116 C THR A 8 0.647 9.094 10.679 1.00 1.19 C ATOM 117 O THR A 8 -0.292 9.856 10.919 1.00 1.39 O ATOM 118 CB THR A 8 2.707 10.330 11.384 1.00 1.12 C ATOM 119 OG1 THR A 8 3.457 10.166 10.203 1.00 1.18 O ATOM 120 CG2 THR A 8 3.700 10.609 12.511 1.00 1.29 C ATOM 0 H THR A 8 3.227 7.743 10.828 1.00 1.03 H new ATOM 0 HA THR A 8 1.410 9.127 12.646 1.00 1.14 H new ATOM 0 HB THR A 8 2.012 11.166 11.308 1.00 1.12 H new ATOM 0 HG1 THR A 8 4.180 9.524 10.361 1.00 1.18 H new ATOM 0 HG21 THR A 8 4.285 11.496 12.269 1.00 1.29 H new ATOM 0 HG22 THR A 8 3.157 10.775 13.441 1.00 1.29 H new ATOM 0 HG23 THR A 8 4.367 9.755 12.628 1.00 1.29 H new ATOM 128 N ARG A 9 0.637 8.270 9.615 1.00 1.11 N ATOM 129 CA ARG A 9 -0.437 8.245 8.598 1.00 1.26 C ATOM 130 C ARG A 9 -1.109 6.880 8.377 1.00 1.25 C ATOM 131 O ARG A 9 -2.142 6.847 7.706 1.00 1.41 O ATOM 132 CB ARG A 9 0.122 8.754 7.254 1.00 1.39 C ATOM 133 CG ARG A 9 0.873 10.090 7.350 1.00 1.56 C ATOM 134 CD ARG A 9 1.210 10.620 5.953 1.00 1.28 C ATOM 135 NE ARG A 9 2.171 11.729 6.027 1.00 1.94 N ATOM 136 CZ ARG A 9 2.408 12.625 5.053 1.00 2.39 C ATOM 137 NH1 ARG A 9 1.707 12.622 3.909 1.00 2.87 N ATOM 138 NH2 ARG A 9 3.369 13.541 5.227 1.00 3.48 N ATOM 0 H ARG A 9 1.380 7.595 9.433 1.00 1.11 H new ATOM 0 HA ARG A 9 -1.219 8.894 8.992 1.00 1.26 H new ATOM 0 HB2 ARG A 9 0.795 8.001 6.844 1.00 1.39 H new ATOM 0 HB3 ARG A 9 -0.702 8.863 6.549 1.00 1.39 H new ATOM 0 HG2 ARG A 9 0.263 10.819 7.884 1.00 1.56 H new ATOM 0 HG3 ARG A 9 1.789 9.958 7.926 1.00 1.56 H new ATOM 0 HD2 ARG A 9 1.624 9.815 5.345 1.00 1.28 H new ATOM 0 HD3 ARG A 9 0.299 10.956 5.458 1.00 1.28 H new ATOM 0 HE ARG A 9 2.704 11.828 6.891 1.00 1.94 H new ATOM 0 HH11 ARG A 9 0.974 11.928 3.762 1.00 2.87 H new ATOM 0 HH12 ARG A 9 1.907 13.313 3.186 1.00 2.87 H new ATOM 0 HH21 ARG A 9 3.911 13.553 6.091 1.00 3.48 H new ATOM 0 HH22 ARG A 9 3.559 14.226 4.496 1.00 3.48 H new ATOM 152 N CYS A 10 -0.566 5.774 8.893 1.00 1.19 N ATOM 153 CA CYS A 10 -0.972 4.414 8.483 1.00 1.23 C ATOM 154 C CYS A 10 -1.284 3.427 9.626 1.00 1.27 C ATOM 155 O CYS A 10 -1.884 2.382 9.367 1.00 1.34 O ATOM 156 CB CYS A 10 0.133 3.797 7.616 1.00 1.26 C ATOM 157 SG CYS A 10 0.876 4.821 6.302 1.00 1.48 S ATOM 0 H CYS A 10 0.165 5.789 9.604 1.00 1.19 H new ATOM 0 HA CYS A 10 -1.910 4.558 7.946 1.00 1.23 H new ATOM 0 HB2 CYS A 10 0.935 3.475 8.280 1.00 1.26 H new ATOM 0 HB3 CYS A 10 -0.273 2.900 7.149 1.00 1.26 H new ATOM 162 N SER A 11 -0.895 3.716 10.873 1.00 1.33 N ATOM 163 CA SER A 11 -0.922 2.756 11.996 1.00 1.45 C ATOM 164 C SER A 11 -2.303 2.530 12.638 1.00 1.68 C ATOM 165 O SER A 11 -2.428 1.680 13.526 1.00 2.67 O ATOM 166 CB SER A 11 0.100 3.174 13.064 1.00 1.55 C ATOM 167 OG SER A 11 1.414 3.082 12.555 1.00 2.20 O ATOM 0 H SER A 11 -0.546 4.636 11.140 1.00 1.33 H new ATOM 0 HA SER A 11 -0.657 1.793 11.559 1.00 1.45 H new ATOM 0 HB2 SER A 11 -0.100 4.196 13.387 1.00 1.55 H new ATOM 0 HB3 SER A 11 -0.002 2.536 13.942 1.00 1.55 H new ATOM 0 HG SER A 11 1.533 3.738 11.836 1.00 2.20 H new ATOM 173 N SER A 12 -3.347 3.247 12.207 1.00 1.36 N ATOM 174 CA SER A 12 -4.727 3.097 12.712 1.00 1.51 C ATOM 175 C SER A 12 -5.552 2.069 11.920 1.00 1.28 C ATOM 176 O SER A 12 -6.538 1.548 12.438 1.00 1.55 O ATOM 177 CB SER A 12 -5.465 4.446 12.747 1.00 1.84 C ATOM 178 OG SER A 12 -4.655 5.480 13.286 1.00 3.06 O ATOM 0 H SER A 12 -3.261 3.962 11.485 1.00 1.36 H new ATOM 0 HA SER A 12 -4.627 2.719 13.729 1.00 1.51 H new ATOM 0 HB2 SER A 12 -5.774 4.717 11.737 1.00 1.84 H new ATOM 0 HB3 SER A 12 -6.372 4.348 13.343 1.00 1.84 H new ATOM 0 HG SER A 12 -5.158 6.321 13.290 1.00 3.06 H new ATOM 184 N CYS A 13 -5.141 1.745 10.687 1.00 0.96 N ATOM 185 CA CYS A 13 -5.803 0.757 9.812 1.00 0.83 C ATOM 186 C CYS A 13 -4.913 -0.446 9.435 1.00 0.83 C ATOM 187 O CYS A 13 -5.369 -1.304 8.677 1.00 1.10 O ATOM 188 CB CYS A 13 -6.286 1.440 8.524 1.00 0.92 C ATOM 189 SG CYS A 13 -7.499 2.797 8.665 1.00 0.97 S ATOM 0 H CYS A 13 -4.320 2.170 10.256 1.00 0.96 H new ATOM 0 HA CYS A 13 -6.640 0.363 10.389 1.00 0.83 H new ATOM 0 HB2 CYS A 13 -5.410 1.830 8.006 1.00 0.92 H new ATOM 0 HB3 CYS A 13 -6.719 0.672 7.883 1.00 0.92 H new ATOM 194 N HIS A 14 -3.656 -0.509 9.906 1.00 0.93 N ATOM 195 CA HIS A 14 -2.662 -1.518 9.507 1.00 0.91 C ATOM 196 C HIS A 14 -1.606 -1.869 10.580 1.00 0.90 C ATOM 197 O HIS A 14 -1.499 -1.255 11.646 1.00 1.15 O ATOM 198 CB HIS A 14 -1.933 -1.025 8.243 1.00 1.22 C ATOM 199 CG HIS A 14 -2.784 -0.980 7.016 1.00 0.68 C ATOM 200 ND1 HIS A 14 -3.456 -2.029 6.446 1.00 1.60 N ATOM 201 CD2 HIS A 14 -2.914 0.097 6.207 1.00 1.20 C ATOM 202 CE1 HIS A 14 -3.992 -1.580 5.296 1.00 1.80 C ATOM 203 NE2 HIS A 14 -3.684 -0.275 5.093 1.00 0.76 N ATOM 0 H HIS A 14 -3.295 0.156 10.590 1.00 0.93 H new ATOM 0 HA HIS A 14 -3.228 -2.434 9.337 1.00 0.91 H new ATOM 0 HB2 HIS A 14 -1.538 -0.027 8.433 1.00 1.22 H new ATOM 0 HB3 HIS A 14 -1.079 -1.676 8.054 1.00 1.22 H new ATOM 0 HD1 HIS A 14 -3.535 -2.974 6.823 1.00 1.60 H new ATOM 0 HD2 HIS A 14 -2.496 1.077 6.387 1.00 1.20 H new ATOM 0 HE1 HIS A 14 -4.588 -2.179 4.624 1.00 1.80 H new ATOM 211 N THR A 15 -0.780 -2.846 10.201 1.00 0.84 N ATOM 212 CA THR A 15 0.396 -3.403 10.900 1.00 0.90 C ATOM 213 C THR A 15 1.450 -3.872 9.884 1.00 0.80 C ATOM 214 O THR A 15 1.107 -4.187 8.743 1.00 0.79 O ATOM 215 CB THR A 15 0.017 -4.600 11.795 1.00 1.10 C ATOM 216 OG1 THR A 15 -0.809 -5.508 11.101 1.00 1.54 O ATOM 217 CG2 THR A 15 -0.725 -4.197 13.069 1.00 1.36 C ATOM 0 H THR A 15 -0.926 -3.319 9.309 1.00 0.84 H new ATOM 0 HA THR A 15 0.799 -2.607 11.526 1.00 0.90 H new ATOM 0 HB THR A 15 0.968 -5.056 12.070 1.00 1.10 H new ATOM 0 HG1 THR A 15 -0.279 -6.282 10.818 1.00 1.54 H new ATOM 0 HG21 THR A 15 -0.960 -5.088 13.650 1.00 1.36 H new ATOM 0 HG22 THR A 15 -0.096 -3.533 13.662 1.00 1.36 H new ATOM 0 HG23 THR A 15 -1.649 -3.682 12.805 1.00 1.36 H new ATOM 225 N VAL A 16 2.732 -3.944 10.269 1.00 0.89 N ATOM 226 CA VAL A 16 3.805 -4.548 9.446 1.00 0.85 C ATOM 227 C VAL A 16 4.425 -5.743 10.173 1.00 0.93 C ATOM 228 O VAL A 16 5.514 -5.663 10.752 1.00 1.27 O ATOM 229 CB VAL A 16 4.865 -3.526 8.967 1.00 1.00 C ATOM 230 CG1 VAL A 16 5.746 -4.146 7.867 1.00 1.47 C ATOM 231 CG2 VAL A 16 4.231 -2.259 8.376 1.00 1.32 C ATOM 0 H VAL A 16 3.062 -3.584 11.165 1.00 0.89 H new ATOM 0 HA VAL A 16 3.341 -4.912 8.529 1.00 0.85 H new ATOM 0 HB VAL A 16 5.451 -3.261 9.848 1.00 1.00 H new ATOM 0 HG11 VAL A 16 6.487 -3.416 7.540 1.00 1.47 H new ATOM 0 HG12 VAL A 16 6.253 -5.027 8.261 1.00 1.47 H new ATOM 0 HG13 VAL A 16 5.122 -4.434 7.021 1.00 1.47 H new ATOM 0 HG21 VAL A 16 5.016 -1.575 8.055 1.00 1.32 H new ATOM 0 HG22 VAL A 16 3.612 -2.527 7.520 1.00 1.32 H new ATOM 0 HG23 VAL A 16 3.614 -1.774 9.132 1.00 1.32 H new ATOM 241 N GLY A 17 3.715 -6.871 10.151 1.00 0.88 N ATOM 242 CA GLY A 17 4.174 -8.171 10.671 1.00 1.12 C ATOM 243 C GLY A 17 3.572 -8.621 12.010 1.00 1.46 C ATOM 244 O GLY A 17 4.135 -9.513 12.649 1.00 1.79 O ATOM 0 H GLY A 17 2.774 -6.913 9.760 1.00 0.88 H new ATOM 0 HA2 GLY A 17 3.955 -8.934 9.924 1.00 1.12 H new ATOM 0 HA3 GLY A 17 5.258 -8.132 10.779 1.00 1.12 H new ATOM 248 N ASN A 18 2.444 -8.047 12.437 1.00 1.86 N ATOM 249 CA ASN A 18 1.783 -8.353 13.714 1.00 2.44 C ATOM 250 C ASN A 18 0.264 -8.489 13.538 1.00 2.55 C ATOM 251 O ASN A 18 -0.400 -7.511 13.214 1.00 3.14 O ATOM 252 CB ASN A 18 2.112 -7.234 14.722 1.00 2.78 C ATOM 253 CG ASN A 18 1.332 -7.370 16.023 1.00 3.84 C ATOM 254 OD1 ASN A 18 1.711 -8.104 16.922 1.00 4.88 O ATOM 255 ND2 ASN A 18 0.213 -6.696 16.141 1.00 4.45 N ATOM 0 H ASN A 18 1.951 -7.339 11.893 1.00 1.86 H new ATOM 0 HA ASN A 18 2.152 -9.309 14.086 1.00 2.44 H new ATOM 0 HB2 ASN A 18 3.180 -7.249 14.940 1.00 2.78 H new ATOM 0 HB3 ASN A 18 1.892 -6.267 14.270 1.00 2.78 H new ATOM 0 HD21 ASN A 18 -0.348 -6.783 16.989 1.00 4.45 H new ATOM 0 HD22 ASN A 18 -0.096 -6.085 15.385 1.00 4.45 H new ATOM 262 N THR A 19 -0.308 -9.654 13.852 1.00 3.04 N ATOM 263 CA THR A 19 -1.772 -9.786 13.976 1.00 3.47 C ATOM 264 C THR A 19 -2.271 -9.263 15.324 1.00 3.65 C ATOM 265 O THR A 19 -1.588 -9.390 16.343 1.00 4.12 O ATOM 266 CB THR A 19 -2.261 -11.225 13.770 1.00 4.60 C ATOM 267 OG1 THR A 19 -1.704 -12.102 14.730 1.00 5.51 O ATOM 268 CG2 THR A 19 -1.920 -11.776 12.389 1.00 5.14 C ATOM 0 H THR A 19 0.210 -10.516 14.025 1.00 3.04 H new ATOM 0 HA THR A 19 -2.191 -9.175 13.177 1.00 3.47 H new ATOM 0 HB THR A 19 -3.345 -11.175 13.877 1.00 4.60 H new ATOM 0 HG1 THR A 19 -2.036 -13.011 14.574 1.00 5.51 H new ATOM 0 HG21 THR A 19 -2.291 -12.797 12.303 1.00 5.14 H new ATOM 0 HG22 THR A 19 -2.386 -11.155 11.624 1.00 5.14 H new ATOM 0 HG23 THR A 19 -0.839 -11.770 12.252 1.00 5.14 H new ATOM 276 N GLU A 20 -3.481 -8.711 15.357 1.00 4.06 N ATOM 277 CA GLU A 20 -4.131 -8.180 16.564 1.00 4.75 C ATOM 278 C GLU A 20 -5.396 -8.989 16.906 1.00 5.14 C ATOM 279 O GLU A 20 -6.176 -9.284 15.990 1.00 5.16 O ATOM 280 CB GLU A 20 -4.487 -6.698 16.352 1.00 5.38 C ATOM 281 CG GLU A 20 -3.282 -5.760 16.188 1.00 5.61 C ATOM 282 CD GLU A 20 -2.628 -5.420 17.527 1.00 6.35 C ATOM 283 OE1 GLU A 20 -1.971 -6.297 18.135 1.00 6.80 O ATOM 284 OE2 GLU A 20 -2.752 -4.251 17.969 1.00 7.04 O ATOM 0 H GLU A 20 -4.059 -8.615 14.522 1.00 4.06 H new ATOM 0 HA GLU A 20 -3.438 -8.267 17.401 1.00 4.75 H new ATOM 0 HB2 GLU A 20 -5.117 -6.614 15.467 1.00 5.38 H new ATOM 0 HB3 GLU A 20 -5.081 -6.357 17.200 1.00 5.38 H new ATOM 0 HG2 GLU A 20 -2.546 -6.228 15.535 1.00 5.61 H new ATOM 0 HG3 GLU A 20 -3.603 -4.841 15.699 1.00 5.61 H new ATOM 291 N PRO A 21 -5.653 -9.329 18.186 1.00 5.85 N ATOM 292 CA PRO A 21 -6.901 -9.966 18.591 1.00 6.54 C ATOM 293 C PRO A 21 -8.054 -8.949 18.630 1.00 6.67 C ATOM 294 O PRO A 21 -8.004 -7.957 19.367 1.00 6.62 O ATOM 295 CB PRO A 21 -6.609 -10.607 19.953 1.00 7.37 C ATOM 296 CG PRO A 21 -5.519 -9.717 20.547 1.00 7.32 C ATOM 297 CD PRO A 21 -4.740 -9.236 19.320 1.00 6.34 C ATOM 0 HA PRO A 21 -7.232 -10.725 17.882 1.00 6.54 H new ATOM 0 HB2 PRO A 21 -7.497 -10.627 20.584 1.00 7.37 H new ATOM 0 HB3 PRO A 21 -6.270 -11.637 19.846 1.00 7.37 H new ATOM 0 HG2 PRO A 21 -5.943 -8.882 21.106 1.00 7.32 H new ATOM 0 HG3 PRO A 21 -4.881 -10.270 21.236 1.00 7.32 H new ATOM 0 HD2 PRO A 21 -4.395 -8.211 19.457 1.00 6.34 H new ATOM 0 HD3 PRO A 21 -3.855 -9.851 19.157 1.00 6.34 H new ATOM 305 N GLY A 22 -9.106 -9.212 17.852 1.00 7.21 N ATOM 306 CA GLY A 22 -10.277 -8.338 17.704 1.00 7.56 C ATOM 307 C GLY A 22 -10.111 -7.212 16.671 1.00 6.78 C ATOM 308 O GLY A 22 -9.206 -7.235 15.835 1.00 6.44 O ATOM 0 H GLY A 22 -9.171 -10.062 17.291 1.00 7.21 H new ATOM 0 HA2 GLY A 22 -11.135 -8.948 17.422 1.00 7.56 H new ATOM 0 HA3 GLY A 22 -10.506 -7.893 18.672 1.00 7.56 H new ATOM 312 N GLN A 23 -11.014 -6.225 16.719 1.00 7.02 N ATOM 313 CA GLN A 23 -11.054 -5.019 15.867 1.00 6.77 C ATOM 314 C GLN A 23 -10.737 -5.239 14.361 1.00 5.61 C ATOM 315 O GLN A 23 -9.752 -4.680 13.851 1.00 4.96 O ATOM 316 CB GLN A 23 -10.179 -3.908 16.475 1.00 7.36 C ATOM 317 CG GLN A 23 -10.561 -3.550 17.916 1.00 8.45 C ATOM 318 CD GLN A 23 -10.011 -2.187 18.310 1.00 9.56 C ATOM 319 OE1 GLN A 23 -10.757 -1.246 18.550 1.00 10.42 O ATOM 320 NE2 GLN A 23 -8.710 -2.013 18.368 1.00 9.99 N ATOM 0 H GLN A 23 -11.782 -6.243 17.390 1.00 7.02 H new ATOM 0 HA GLN A 23 -12.099 -4.710 15.863 1.00 6.77 H new ATOM 0 HB2 GLN A 23 -9.136 -4.224 16.452 1.00 7.36 H new ATOM 0 HB3 GLN A 23 -10.256 -3.015 15.854 1.00 7.36 H new ATOM 0 HG2 GLN A 23 -11.646 -3.550 18.018 1.00 8.45 H new ATOM 0 HG3 GLN A 23 -10.177 -4.310 18.596 1.00 8.45 H new ATOM 0 HE21 GLN A 23 -8.082 -2.792 18.169 1.00 9.99 H new ATOM 0 HE22 GLN A 23 -8.328 -1.099 18.612 1.00 9.99 H new ATOM 329 N PRO A 24 -11.539 -6.044 13.629 1.00 5.92 N ATOM 330 CA PRO A 24 -11.253 -6.438 12.245 1.00 5.49 C ATOM 331 C PRO A 24 -11.740 -5.454 11.167 1.00 4.91 C ATOM 332 O PRO A 24 -11.567 -5.717 9.972 1.00 5.17 O ATOM 333 CB PRO A 24 -11.921 -7.810 12.101 1.00 6.88 C ATOM 334 CG PRO A 24 -13.186 -7.641 12.942 1.00 7.95 C ATOM 335 CD PRO A 24 -12.697 -6.789 14.116 1.00 7.37 C ATOM 0 HA PRO A 24 -10.176 -6.453 12.076 1.00 5.49 H new ATOM 0 HB2 PRO A 24 -12.151 -8.044 11.062 1.00 6.88 H new ATOM 0 HB3 PRO A 24 -11.287 -8.613 12.476 1.00 6.88 H new ATOM 0 HG2 PRO A 24 -13.980 -7.144 12.384 1.00 7.95 H new ATOM 0 HG3 PRO A 24 -13.582 -8.600 13.275 1.00 7.95 H new ATOM 0 HD2 PRO A 24 -13.480 -6.111 14.457 1.00 7.37 H new ATOM 0 HD3 PRO A 24 -12.426 -7.416 14.965 1.00 7.37 H new ATOM 343 N GLY A 25 -12.342 -4.329 11.560 1.00 4.82 N ATOM 344 CA GLY A 25 -13.016 -3.376 10.666 1.00 4.76 C ATOM 345 C GLY A 25 -12.070 -2.725 9.653 1.00 3.49 C ATOM 346 O GLY A 25 -12.367 -2.687 8.459 1.00 3.97 O ATOM 0 H GLY A 25 -12.377 -4.045 12.539 1.00 4.82 H new ATOM 0 HA2 GLY A 25 -13.812 -3.892 10.130 1.00 4.76 H new ATOM 0 HA3 GLY A 25 -13.488 -2.597 11.265 1.00 4.76 H new ATOM 350 N ILE A 26 -10.883 -2.323 10.116 1.00 2.26 N ATOM 351 CA ILE A 26 -9.694 -2.098 9.285 1.00 1.47 C ATOM 352 C ILE A 26 -8.427 -2.462 10.066 1.00 2.51 C ATOM 353 O ILE A 26 -8.133 -1.869 11.104 1.00 4.53 O ATOM 354 CB ILE A 26 -9.589 -0.671 8.674 1.00 1.31 C ATOM 355 CG1 ILE A 26 -10.671 0.373 9.042 1.00 1.91 C ATOM 356 CG2 ILE A 26 -9.570 -0.837 7.145 1.00 1.49 C ATOM 357 CD1 ILE A 26 -10.597 0.862 10.491 1.00 1.31 C ATOM 0 H ILE A 26 -10.717 -2.140 11.106 1.00 2.26 H new ATOM 0 HA ILE A 26 -9.800 -2.760 8.426 1.00 1.47 H new ATOM 0 HB ILE A 26 -8.683 -0.250 9.111 1.00 1.31 H new ATOM 0 HG12 ILE A 26 -10.576 1.230 8.375 1.00 1.91 H new ATOM 0 HG13 ILE A 26 -11.655 -0.061 8.866 1.00 1.91 H new ATOM 0 HG21 ILE A 26 -9.497 0.143 6.673 1.00 1.49 H new ATOM 0 HG22 ILE A 26 -8.712 -1.444 6.856 1.00 1.49 H new ATOM 0 HG23 ILE A 26 -10.488 -1.328 6.821 1.00 1.49 H new ATOM 0 HD11 ILE A 26 -11.388 1.591 10.670 1.00 1.31 H new ATOM 0 HD12 ILE A 26 -10.723 0.016 11.167 1.00 1.31 H new ATOM 0 HD13 ILE A 26 -9.628 1.327 10.669 1.00 1.31 H new ATOM 369 N GLY A 27 -7.689 -3.451 9.567 1.00 1.77 N ATOM 370 CA GLY A 27 -6.421 -3.918 10.129 1.00 2.98 C ATOM 371 C GLY A 27 -5.510 -4.823 9.270 1.00 2.06 C ATOM 372 O GLY A 27 -4.696 -5.499 9.900 1.00 1.93 O ATOM 0 H GLY A 27 -7.965 -3.968 8.732 1.00 1.77 H new ATOM 0 HA2 GLY A 27 -5.841 -3.038 10.409 1.00 2.98 H new ATOM 0 HA3 GLY A 27 -6.647 -4.457 11.049 1.00 2.98 H new ATOM 376 N PRO A 28 -5.572 -4.924 7.913 1.00 1.91 N ATOM 377 CA PRO A 28 -4.745 -5.901 7.184 1.00 1.55 C ATOM 378 C PRO A 28 -3.237 -5.746 7.420 1.00 1.26 C ATOM 379 O PRO A 28 -2.708 -4.633 7.320 1.00 1.29 O ATOM 380 CB PRO A 28 -5.064 -5.723 5.695 1.00 2.24 C ATOM 381 CG PRO A 28 -6.462 -5.123 5.707 1.00 2.63 C ATOM 382 CD PRO A 28 -6.434 -4.238 6.953 1.00 2.52 C ATOM 0 HA PRO A 28 -4.987 -6.899 7.550 1.00 1.55 H new ATOM 0 HB2 PRO A 28 -4.347 -5.063 5.206 1.00 2.24 H new ATOM 0 HB3 PRO A 28 -5.038 -6.673 5.162 1.00 2.24 H new ATOM 0 HG2 PRO A 28 -6.663 -4.546 4.804 1.00 2.63 H new ATOM 0 HG3 PRO A 28 -7.232 -5.891 5.773 1.00 2.63 H new ATOM 0 HD2 PRO A 28 -6.046 -3.247 6.719 1.00 2.52 H new ATOM 0 HD3 PRO A 28 -7.437 -4.101 7.357 1.00 2.52 H new ATOM 390 N ASP A 29 -2.545 -6.858 7.671 1.00 1.24 N ATOM 391 CA ASP A 29 -1.099 -6.889 7.900 1.00 1.11 C ATOM 392 C ASP A 29 -0.287 -6.854 6.592 1.00 1.05 C ATOM 393 O ASP A 29 -0.646 -7.517 5.611 1.00 1.35 O ATOM 394 CB ASP A 29 -0.738 -8.128 8.724 1.00 1.39 C ATOM 395 CG ASP A 29 0.709 -8.058 9.184 1.00 1.81 C ATOM 396 OD1 ASP A 29 1.001 -7.181 10.027 1.00 2.99 O ATOM 397 OD2 ASP A 29 1.549 -8.836 8.665 1.00 2.32 O ATOM 0 H ASP A 29 -2.981 -7.779 7.722 1.00 1.24 H new ATOM 0 HA ASP A 29 -0.834 -5.987 8.451 1.00 1.11 H new ATOM 0 HB2 ASP A 29 -1.398 -8.202 9.589 1.00 1.39 H new ATOM 0 HB3 ASP A 29 -0.893 -9.027 8.127 1.00 1.39 H new ATOM 402 N LEU A 30 0.813 -6.090 6.588 1.00 0.84 N ATOM 403 CA LEU A 30 1.533 -5.678 5.373 1.00 0.82 C ATOM 404 C LEU A 30 2.957 -6.239 5.227 1.00 0.79 C ATOM 405 O LEU A 30 3.629 -5.947 4.234 1.00 0.97 O ATOM 406 CB LEU A 30 1.582 -4.142 5.299 1.00 0.83 C ATOM 407 CG LEU A 30 0.244 -3.421 5.517 1.00 0.87 C ATOM 408 CD1 LEU A 30 0.480 -1.914 5.391 1.00 0.94 C ATOM 409 CD2 LEU A 30 -0.808 -3.813 4.473 1.00 1.20 C ATOM 0 H LEU A 30 1.237 -5.733 7.445 1.00 0.84 H new ATOM 0 HA LEU A 30 0.966 -6.106 4.546 1.00 0.82 H new ATOM 0 HB2 LEU A 30 2.292 -3.783 6.044 1.00 0.83 H new ATOM 0 HB3 LEU A 30 1.973 -3.856 4.322 1.00 0.83 H new ATOM 0 HG LEU A 30 -0.126 -3.703 6.503 1.00 0.87 H new ATOM 0 HD11 LEU A 30 -0.461 -1.384 5.543 1.00 0.94 H new ATOM 0 HD12 LEU A 30 1.202 -1.595 6.143 1.00 0.94 H new ATOM 0 HD13 LEU A 30 0.867 -1.688 4.397 1.00 0.94 H new ATOM 0 HD21 LEU A 30 -1.735 -3.276 4.672 1.00 1.20 H new ATOM 0 HD22 LEU A 30 -0.446 -3.556 3.477 1.00 1.20 H new ATOM 0 HD23 LEU A 30 -0.992 -4.886 4.527 1.00 1.20 H new ATOM 421 N LEU A 31 3.447 -7.036 6.182 1.00 0.78 N ATOM 422 CA LEU A 31 4.719 -7.739 5.987 1.00 0.79 C ATOM 423 C LEU A 31 4.594 -8.725 4.817 1.00 0.99 C ATOM 424 O LEU A 31 3.543 -9.333 4.622 1.00 1.73 O ATOM 425 CB LEU A 31 5.179 -8.375 7.296 1.00 0.86 C ATOM 426 CG LEU A 31 6.586 -8.987 7.172 1.00 1.21 C ATOM 427 CD1 LEU A 31 7.406 -8.678 8.416 1.00 2.14 C ATOM 428 CD2 LEU A 31 6.504 -10.492 6.950 1.00 2.04 C ATOM 0 H LEU A 31 2.994 -7.208 7.079 1.00 0.78 H new ATOM 0 HA LEU A 31 5.504 -7.036 5.710 1.00 0.79 H new ATOM 0 HB2 LEU A 31 5.178 -7.623 8.085 1.00 0.86 H new ATOM 0 HB3 LEU A 31 4.471 -9.149 7.592 1.00 0.86 H new ATOM 0 HG LEU A 31 7.079 -8.542 6.308 1.00 1.21 H new ATOM 0 HD11 LEU A 31 8.399 -9.116 8.316 1.00 2.14 H new ATOM 0 HD12 LEU A 31 7.496 -7.598 8.533 1.00 2.14 H new ATOM 0 HD13 LEU A 31 6.911 -9.098 9.292 1.00 2.14 H new ATOM 0 HD21 LEU A 31 7.510 -10.903 6.865 1.00 2.04 H new ATOM 0 HD22 LEU A 31 5.992 -10.957 7.793 1.00 2.04 H new ATOM 0 HD23 LEU A 31 5.951 -10.695 6.033 1.00 2.04 H new ATOM 440 N GLY A 32 5.659 -8.852 4.030 1.00 0.87 N ATOM 441 CA GLY A 32 5.689 -9.711 2.836 1.00 1.06 C ATOM 442 C GLY A 32 5.014 -9.122 1.587 1.00 0.90 C ATOM 443 O GLY A 32 5.229 -9.643 0.494 1.00 0.99 O ATOM 0 H GLY A 32 6.536 -8.360 4.199 1.00 0.87 H new ATOM 0 HA2 GLY A 32 6.728 -9.935 2.596 1.00 1.06 H new ATOM 0 HA3 GLY A 32 5.206 -10.658 3.077 1.00 1.06 H new ATOM 447 N VAL A 33 4.299 -7.991 1.674 1.00 0.79 N ATOM 448 CA VAL A 33 3.675 -7.337 0.497 1.00 0.88 C ATOM 449 C VAL A 33 4.722 -6.950 -0.565 1.00 0.79 C ATOM 450 O VAL A 33 4.473 -7.090 -1.762 1.00 0.96 O ATOM 451 CB VAL A 33 2.815 -6.137 0.944 1.00 1.13 C ATOM 452 CG1 VAL A 33 2.239 -5.338 -0.229 1.00 2.03 C ATOM 453 CG2 VAL A 33 1.612 -6.614 1.768 1.00 2.15 C ATOM 0 H VAL A 33 4.133 -7.500 2.553 1.00 0.79 H new ATOM 0 HA VAL A 33 3.012 -8.056 0.016 1.00 0.88 H new ATOM 0 HB VAL A 33 3.488 -5.504 1.523 1.00 1.13 H new ATOM 0 HG11 VAL A 33 1.644 -4.508 0.153 1.00 2.03 H new ATOM 0 HG12 VAL A 33 3.054 -4.950 -0.840 1.00 2.03 H new ATOM 0 HG13 VAL A 33 1.608 -5.987 -0.836 1.00 2.03 H new ATOM 0 HG21 VAL A 33 1.017 -5.754 2.075 1.00 2.15 H new ATOM 0 HG22 VAL A 33 0.999 -7.282 1.163 1.00 2.15 H new ATOM 0 HG23 VAL A 33 1.964 -7.145 2.652 1.00 2.15 H new ATOM 463 N THR A 34 5.939 -6.607 -0.123 1.00 0.78 N ATOM 464 CA THR A 34 7.156 -6.373 -0.936 1.00 1.07 C ATOM 465 C THR A 34 7.609 -7.561 -1.813 1.00 0.93 C ATOM 466 O THR A 34 8.498 -7.416 -2.657 1.00 1.41 O ATOM 467 CB THR A 34 8.305 -5.964 0.009 1.00 1.54 C ATOM 468 OG1 THR A 34 9.464 -5.579 -0.692 1.00 2.17 O ATOM 469 CG2 THR A 34 8.703 -7.094 0.960 1.00 2.63 C ATOM 0 H THR A 34 6.119 -6.475 0.872 1.00 0.78 H new ATOM 0 HA THR A 34 6.898 -5.584 -1.643 1.00 1.07 H new ATOM 0 HB THR A 34 7.913 -5.119 0.574 1.00 1.54 H new ATOM 0 HG1 THR A 34 9.505 -6.060 -1.545 1.00 2.17 H new ATOM 0 HG21 THR A 34 9.515 -6.758 1.605 1.00 2.63 H new ATOM 0 HG22 THR A 34 7.845 -7.373 1.572 1.00 2.63 H new ATOM 0 HG23 THR A 34 9.032 -7.957 0.382 1.00 2.63 H new ATOM 477 N ARG A 35 7.030 -8.752 -1.610 1.00 0.72 N ATOM 478 CA ARG A 35 7.255 -9.961 -2.420 1.00 0.95 C ATOM 479 C ARG A 35 5.960 -10.537 -3.011 1.00 1.16 C ATOM 480 O ARG A 35 5.952 -10.968 -4.165 1.00 1.80 O ATOM 481 CB ARG A 35 8.132 -10.989 -1.678 1.00 1.21 C ATOM 482 CG ARG A 35 7.672 -11.362 -0.262 1.00 1.82 C ATOM 483 CD ARG A 35 8.639 -12.358 0.382 1.00 2.61 C ATOM 484 NE ARG A 35 8.266 -12.617 1.783 1.00 3.88 N ATOM 485 CZ ARG A 35 9.111 -12.734 2.825 1.00 4.95 C ATOM 486 NH1 ARG A 35 10.443 -12.640 2.678 1.00 5.16 N ATOM 487 NH2 ARG A 35 8.606 -12.950 4.047 1.00 6.37 N ATOM 0 H ARG A 35 6.368 -8.908 -0.850 1.00 0.72 H new ATOM 0 HA ARG A 35 7.833 -9.662 -3.295 1.00 0.95 H new ATOM 0 HB2 ARG A 35 8.177 -11.899 -2.276 1.00 1.21 H new ATOM 0 HB3 ARG A 35 9.147 -10.596 -1.618 1.00 1.21 H new ATOM 0 HG2 ARG A 35 7.607 -10.464 0.352 1.00 1.82 H new ATOM 0 HG3 ARG A 35 6.672 -11.794 -0.302 1.00 1.82 H new ATOM 0 HD2 ARG A 35 8.633 -13.292 -0.179 1.00 2.61 H new ATOM 0 HD3 ARG A 35 9.655 -11.966 0.338 1.00 2.61 H new ATOM 0 HE ARG A 35 7.271 -12.718 1.984 1.00 3.88 H new ATOM 0 HH11 ARG A 35 10.844 -12.475 1.755 1.00 5.16 H new ATOM 0 HH12 ARG A 35 11.054 -12.734 3.490 1.00 5.16 H new ATOM 0 HH21 ARG A 35 7.597 -13.023 4.176 1.00 6.37 H new ATOM 0 HH22 ARG A 35 9.231 -13.041 4.848 1.00 6.37 H new ATOM 501 N GLN A 36 4.842 -10.404 -2.292 1.00 1.01 N ATOM 502 CA GLN A 36 3.488 -10.748 -2.744 1.00 1.35 C ATOM 503 C GLN A 36 3.046 -9.999 -4.019 1.00 1.26 C ATOM 504 O GLN A 36 2.306 -10.564 -4.832 1.00 1.54 O ATOM 505 CB GLN A 36 2.517 -10.420 -1.599 1.00 1.80 C ATOM 506 CG GLN A 36 1.151 -11.114 -1.735 1.00 3.40 C ATOM 507 CD GLN A 36 0.097 -10.578 -0.766 1.00 4.80 C ATOM 508 OE1 GLN A 36 0.243 -9.539 -0.131 1.00 5.56 O ATOM 509 NE2 GLN A 36 -1.017 -11.254 -0.623 1.00 5.84 N ATOM 0 H GLN A 36 4.854 -10.039 -1.340 1.00 1.01 H new ATOM 0 HA GLN A 36 3.484 -11.807 -3.001 1.00 1.35 H new ATOM 0 HB2 GLN A 36 2.972 -10.713 -0.653 1.00 1.80 H new ATOM 0 HB3 GLN A 36 2.365 -9.341 -1.560 1.00 1.80 H new ATOM 0 HG2 GLN A 36 0.790 -10.992 -2.756 1.00 3.40 H new ATOM 0 HG3 GLN A 36 1.277 -12.184 -1.567 1.00 3.40 H new ATOM 0 HE21 GLN A 36 -1.158 -12.121 -1.142 1.00 5.84 H new ATOM 0 HE22 GLN A 36 -1.743 -10.913 0.007 1.00 5.84 H new ATOM 518 N ARG A 37 3.467 -8.734 -4.189 1.00 1.13 N ATOM 519 CA ARG A 37 3.049 -7.832 -5.283 1.00 1.36 C ATOM 520 C ARG A 37 4.232 -7.336 -6.122 1.00 1.39 C ATOM 521 O ARG A 37 5.353 -7.202 -5.623 1.00 1.93 O ATOM 522 CB ARG A 37 2.294 -6.615 -4.700 1.00 1.65 C ATOM 523 CG ARG A 37 1.109 -6.939 -3.778 1.00 1.88 C ATOM 524 CD ARG A 37 0.010 -7.766 -4.453 1.00 1.56 C ATOM 525 NE ARG A 37 -1.085 -8.039 -3.511 1.00 1.35 N ATOM 526 CZ ARG A 37 -1.822 -9.162 -3.453 1.00 1.39 C ATOM 527 NH1 ARG A 37 -1.646 -10.174 -4.314 1.00 1.91 N ATOM 528 NH2 ARG A 37 -2.756 -9.275 -2.502 1.00 1.57 N ATOM 0 H ARG A 37 4.129 -8.294 -3.550 1.00 1.13 H new ATOM 0 HA ARG A 37 2.397 -8.408 -5.939 1.00 1.36 H new ATOM 0 HB2 ARG A 37 3.005 -6.003 -4.145 1.00 1.65 H new ATOM 0 HB3 ARG A 37 1.929 -6.007 -5.528 1.00 1.65 H new ATOM 0 HG2 ARG A 37 1.476 -7.482 -2.907 1.00 1.88 H new ATOM 0 HG3 ARG A 37 0.678 -6.006 -3.414 1.00 1.88 H new ATOM 0 HD2 ARG A 37 -0.375 -7.230 -5.321 1.00 1.56 H new ATOM 0 HD3 ARG A 37 0.426 -8.705 -4.817 1.00 1.56 H new ATOM 0 HE ARG A 37 -1.307 -7.306 -2.837 1.00 1.35 H new ATOM 0 HH11 ARG A 37 -0.935 -10.106 -5.042 1.00 1.91 H new ATOM 0 HH12 ARG A 37 -2.223 -11.012 -4.241 1.00 1.91 H new ATOM 0 HH21 ARG A 37 -2.900 -8.516 -1.836 1.00 1.57 H new ATOM 0 HH22 ARG A 37 -3.324 -10.120 -2.443 1.00 1.57 H new ATOM 542 N ASP A 38 3.958 -6.978 -7.376 1.00 1.34 N ATOM 543 CA ASP A 38 4.886 -6.240 -8.243 1.00 1.44 C ATOM 544 C ASP A 38 5.206 -4.848 -7.680 1.00 1.42 C ATOM 545 O ASP A 38 4.317 -4.120 -7.241 1.00 1.46 O ATOM 546 CB ASP A 38 4.288 -6.102 -9.648 1.00 1.58 C ATOM 547 CG ASP A 38 5.215 -5.334 -10.587 1.00 2.96 C ATOM 548 OD1 ASP A 38 6.177 -5.942 -11.111 1.00 3.41 O ATOM 549 OD2 ASP A 38 4.993 -4.123 -10.825 1.00 4.25 O ATOM 0 H ASP A 38 3.070 -7.195 -7.829 1.00 1.34 H new ATOM 0 HA ASP A 38 5.817 -6.806 -8.289 1.00 1.44 H new ATOM 0 HB2 ASP A 38 4.094 -7.093 -10.059 1.00 1.58 H new ATOM 0 HB3 ASP A 38 3.328 -5.589 -9.586 1.00 1.58 H new ATOM 554 N ALA A 39 6.481 -4.463 -7.725 1.00 1.51 N ATOM 555 CA ALA A 39 6.967 -3.250 -7.082 1.00 1.56 C ATOM 556 C ALA A 39 6.431 -1.949 -7.714 1.00 1.45 C ATOM 557 O ALA A 39 6.168 -0.986 -6.986 1.00 1.63 O ATOM 558 CB ALA A 39 8.494 -3.315 -7.084 1.00 1.83 C ATOM 0 H ALA A 39 7.207 -4.989 -8.212 1.00 1.51 H new ATOM 0 HA ALA A 39 6.586 -3.212 -6.061 1.00 1.56 H new ATOM 0 HB1 ALA A 39 8.897 -2.421 -6.609 1.00 1.83 H new ATOM 0 HB2 ALA A 39 8.821 -4.197 -6.534 1.00 1.83 H new ATOM 0 HB3 ALA A 39 8.854 -3.374 -8.111 1.00 1.83 H new ATOM 564 N ASN A 40 6.236 -1.889 -9.039 1.00 1.34 N ATOM 565 CA ASN A 40 5.624 -0.719 -9.677 1.00 1.25 C ATOM 566 C ASN A 40 4.115 -0.657 -9.397 1.00 1.06 C ATOM 567 O ASN A 40 3.616 0.400 -9.013 1.00 1.11 O ATOM 568 CB ASN A 40 5.939 -0.682 -11.184 1.00 1.39 C ATOM 569 CG ASN A 40 5.375 0.574 -11.824 1.00 2.78 C ATOM 570 OD1 ASN A 40 4.360 0.546 -12.508 1.00 4.09 O ATOM 571 ND2 ASN A 40 5.978 1.710 -11.577 1.00 3.64 N ATOM 0 H ASN A 40 6.493 -2.635 -9.686 1.00 1.34 H new ATOM 0 HA ASN A 40 6.064 0.176 -9.236 1.00 1.25 H new ATOM 0 HB2 ASN A 40 7.018 -0.719 -11.335 1.00 1.39 H new ATOM 0 HB3 ASN A 40 5.519 -1.563 -11.669 1.00 1.39 H new ATOM 0 HD21 ASN A 40 5.602 2.580 -11.955 1.00 3.64 H new ATOM 0 HD22 ASN A 40 6.823 1.725 -11.006 1.00 3.64 H new ATOM 578 N TRP A 41 3.406 -1.787 -9.510 1.00 0.94 N ATOM 579 CA TRP A 41 1.969 -1.856 -9.206 1.00 0.80 C ATOM 580 C TRP A 41 1.676 -1.456 -7.752 1.00 0.74 C ATOM 581 O TRP A 41 0.769 -0.666 -7.501 1.00 0.69 O ATOM 582 CB TRP A 41 1.441 -3.266 -9.511 1.00 0.76 C ATOM 583 CG TRP A 41 -0.053 -3.412 -9.491 1.00 0.65 C ATOM 584 CD1 TRP A 41 -0.864 -3.372 -10.575 1.00 0.67 C ATOM 585 CD2 TRP A 41 -0.941 -3.604 -8.343 1.00 0.72 C ATOM 586 NE1 TRP A 41 -2.183 -3.534 -10.185 1.00 0.76 N ATOM 587 CE2 TRP A 41 -2.288 -3.651 -8.816 1.00 0.76 C ATOM 588 CE3 TRP A 41 -0.749 -3.735 -6.947 1.00 0.92 C ATOM 589 CZ2 TRP A 41 -3.382 -3.799 -7.953 1.00 0.97 C ATOM 590 CZ3 TRP A 41 -1.846 -3.876 -6.072 1.00 1.07 C ATOM 591 CH2 TRP A 41 -3.159 -3.901 -6.571 1.00 1.09 C ATOM 0 H TRP A 41 3.808 -2.674 -9.813 1.00 0.94 H new ATOM 0 HA TRP A 41 1.449 -1.139 -9.841 1.00 0.80 H new ATOM 0 HB2 TRP A 41 1.806 -3.568 -10.493 1.00 0.76 H new ATOM 0 HB3 TRP A 41 1.867 -3.960 -8.786 1.00 0.76 H new ATOM 0 HD1 TRP A 41 -0.531 -3.234 -11.593 1.00 0.67 H new ATOM 0 HE1 TRP A 41 -2.974 -3.563 -10.828 1.00 0.76 H new ATOM 0 HE3 TRP A 41 0.254 -3.727 -6.545 1.00 0.92 H new ATOM 0 HZ2 TRP A 41 -4.387 -3.834 -8.347 1.00 0.97 H new ATOM 0 HZ3 TRP A 41 -1.675 -3.966 -5.009 1.00 1.07 H new ATOM 0 HH2 TRP A 41 -3.994 -3.998 -5.893 1.00 1.09 H new ATOM 602 N LEU A 42 2.487 -1.929 -6.797 1.00 0.80 N ATOM 603 CA LEU A 42 2.368 -1.626 -5.367 1.00 0.79 C ATOM 604 C LEU A 42 2.535 -0.128 -5.056 1.00 0.79 C ATOM 605 O LEU A 42 1.751 0.440 -4.294 1.00 0.77 O ATOM 606 CB LEU A 42 3.416 -2.489 -4.635 1.00 0.88 C ATOM 607 CG LEU A 42 3.524 -2.268 -3.118 1.00 1.40 C ATOM 608 CD1 LEU A 42 2.208 -2.550 -2.391 1.00 1.81 C ATOM 609 CD2 LEU A 42 4.611 -3.183 -2.549 1.00 1.99 C ATOM 0 H LEU A 42 3.267 -2.552 -7.006 1.00 0.80 H new ATOM 0 HA LEU A 42 1.362 -1.866 -5.022 1.00 0.79 H new ATOM 0 HB2 LEU A 42 3.184 -3.539 -4.814 1.00 0.88 H new ATOM 0 HB3 LEU A 42 4.392 -2.298 -5.081 1.00 0.88 H new ATOM 0 HG LEU A 42 3.774 -1.219 -2.959 1.00 1.40 H new ATOM 0 HD11 LEU A 42 2.339 -2.379 -1.322 1.00 1.81 H new ATOM 0 HD12 LEU A 42 1.432 -1.886 -2.773 1.00 1.81 H new ATOM 0 HD13 LEU A 42 1.914 -3.586 -2.559 1.00 1.81 H new ATOM 0 HD21 LEU A 42 4.690 -3.029 -1.473 1.00 1.99 H new ATOM 0 HD22 LEU A 42 4.352 -4.223 -2.748 1.00 1.99 H new ATOM 0 HD23 LEU A 42 5.566 -2.950 -3.020 1.00 1.99 H new ATOM 621 N VAL A 43 3.536 0.526 -5.657 1.00 0.86 N ATOM 622 CA VAL A 43 3.761 1.973 -5.493 1.00 0.90 C ATOM 623 C VAL A 43 2.665 2.783 -6.197 1.00 0.86 C ATOM 624 O VAL A 43 2.139 3.718 -5.597 1.00 0.97 O ATOM 625 CB VAL A 43 5.185 2.353 -5.948 1.00 1.04 C ATOM 626 CG1 VAL A 43 5.401 3.862 -6.111 1.00 1.42 C ATOM 627 CG2 VAL A 43 6.207 1.834 -4.925 1.00 1.58 C ATOM 0 H VAL A 43 4.213 0.071 -6.270 1.00 0.86 H new ATOM 0 HA VAL A 43 3.693 2.227 -4.435 1.00 0.90 H new ATOM 0 HB VAL A 43 5.319 1.894 -6.928 1.00 1.04 H new ATOM 0 HG11 VAL A 43 6.425 4.050 -6.433 1.00 1.42 H new ATOM 0 HG12 VAL A 43 4.709 4.250 -6.858 1.00 1.42 H new ATOM 0 HG13 VAL A 43 5.223 4.360 -5.158 1.00 1.42 H new ATOM 0 HG21 VAL A 43 7.213 2.103 -5.247 1.00 1.58 H new ATOM 0 HG22 VAL A 43 6.006 2.281 -3.951 1.00 1.58 H new ATOM 0 HG23 VAL A 43 6.128 0.749 -4.850 1.00 1.58 H new ATOM 637 N ARG A 44 2.246 2.405 -7.413 1.00 0.81 N ATOM 638 CA ARG A 44 1.121 3.055 -8.116 1.00 0.80 C ATOM 639 C ARG A 44 -0.199 2.938 -7.352 1.00 0.75 C ATOM 640 O ARG A 44 -0.910 3.933 -7.224 1.00 0.84 O ATOM 641 CB ARG A 44 0.945 2.461 -9.521 1.00 0.81 C ATOM 642 CG ARG A 44 1.994 2.962 -10.525 1.00 1.77 C ATOM 643 CD ARG A 44 1.785 2.340 -11.913 1.00 1.99 C ATOM 644 NE ARG A 44 0.492 2.727 -12.511 1.00 2.55 N ATOM 645 CZ ARG A 44 -0.531 1.906 -12.818 1.00 3.48 C ATOM 646 NH1 ARG A 44 -0.463 0.577 -12.632 1.00 4.40 N ATOM 647 NH2 ARG A 44 -1.653 2.432 -13.325 1.00 4.50 N ATOM 0 H ARG A 44 2.673 1.643 -7.939 1.00 0.81 H new ATOM 0 HA ARG A 44 1.374 4.113 -8.187 1.00 0.80 H new ATOM 0 HB2 ARG A 44 1.001 1.374 -9.459 1.00 0.81 H new ATOM 0 HB3 ARG A 44 -0.050 2.708 -9.891 1.00 0.81 H new ATOM 0 HG2 ARG A 44 1.939 4.048 -10.600 1.00 1.77 H new ATOM 0 HG3 ARG A 44 2.992 2.718 -10.162 1.00 1.77 H new ATOM 0 HD2 ARG A 44 2.595 2.649 -12.573 1.00 1.99 H new ATOM 0 HD3 ARG A 44 1.836 1.254 -11.834 1.00 1.99 H new ATOM 0 HE ARG A 44 0.360 3.718 -12.712 1.00 2.55 H new ATOM 0 HH11 ARG A 44 0.384 0.159 -12.247 1.00 4.40 H new ATOM 0 HH12 ARG A 44 -1.258 -0.013 -12.876 1.00 4.40 H new ATOM 0 HH21 ARG A 44 -1.723 3.439 -13.473 1.00 4.50 H new ATOM 0 HH22 ARG A 44 -2.438 1.826 -13.563 1.00 4.50 H new ATOM 661 N TRP A 45 -0.493 1.771 -6.774 1.00 0.72 N ATOM 662 CA TRP A 45 -1.682 1.560 -5.945 1.00 0.74 C ATOM 663 C TRP A 45 -1.691 2.471 -4.720 1.00 0.80 C ATOM 664 O TRP A 45 -2.709 3.077 -4.413 1.00 0.85 O ATOM 665 CB TRP A 45 -1.765 0.090 -5.516 1.00 0.77 C ATOM 666 CG TRP A 45 -2.990 -0.253 -4.725 1.00 0.79 C ATOM 667 CD1 TRP A 45 -3.031 -0.596 -3.415 1.00 1.15 C ATOM 668 CD2 TRP A 45 -4.379 -0.230 -5.176 1.00 0.84 C ATOM 669 NE1 TRP A 45 -4.342 -0.870 -3.057 1.00 1.30 N ATOM 670 CE2 TRP A 45 -5.205 -0.696 -4.114 1.00 1.17 C ATOM 671 CE3 TRP A 45 -5.033 0.160 -6.366 1.00 0.99 C ATOM 672 CZ2 TRP A 45 -6.590 -0.857 -4.254 1.00 1.52 C ATOM 673 CZ3 TRP A 45 -6.433 0.073 -6.492 1.00 1.39 C ATOM 674 CH2 TRP A 45 -7.210 -0.465 -5.451 1.00 1.63 C ATOM 0 H TRP A 45 0.091 0.940 -6.869 1.00 0.72 H new ATOM 0 HA TRP A 45 -2.556 1.813 -6.545 1.00 0.74 H new ATOM 0 HB2 TRP A 45 -1.734 -0.538 -6.406 1.00 0.77 H new ATOM 0 HB3 TRP A 45 -0.884 -0.154 -4.923 1.00 0.77 H new ATOM 0 HD1 TRP A 45 -2.178 -0.648 -2.755 1.00 1.15 H new ATOM 0 HE1 TRP A 45 -4.631 -1.164 -2.124 1.00 1.30 H new ATOM 0 HE3 TRP A 45 -4.448 0.532 -7.195 1.00 0.99 H new ATOM 0 HZ2 TRP A 45 -7.174 -1.278 -3.449 1.00 1.52 H new ATOM 0 HZ3 TRP A 45 -6.913 0.422 -7.394 1.00 1.39 H new ATOM 0 HH2 TRP A 45 -8.277 -0.576 -5.572 1.00 1.63 H new ATOM 685 N LEU A 46 -0.550 2.632 -4.045 1.00 0.88 N ATOM 686 CA LEU A 46 -0.440 3.523 -2.888 1.00 1.07 C ATOM 687 C LEU A 46 -0.372 5.021 -3.268 1.00 1.08 C ATOM 688 O LEU A 46 -0.695 5.881 -2.444 1.00 1.31 O ATOM 689 CB LEU A 46 0.725 3.011 -2.033 1.00 1.23 C ATOM 690 CG LEU A 46 0.873 3.666 -0.649 1.00 1.72 C ATOM 691 CD1 LEU A 46 -0.409 3.661 0.190 1.00 3.02 C ATOM 692 CD2 LEU A 46 1.915 2.866 0.130 1.00 2.58 C ATOM 0 H LEU A 46 0.318 2.152 -4.283 1.00 0.88 H new ATOM 0 HA LEU A 46 -1.351 3.491 -2.290 1.00 1.07 H new ATOM 0 HB2 LEU A 46 0.606 1.936 -1.895 1.00 1.23 H new ATOM 0 HB3 LEU A 46 1.652 3.161 -2.587 1.00 1.23 H new ATOM 0 HG LEU A 46 1.147 4.707 -0.822 1.00 1.72 H new ATOM 0 HD11 LEU A 46 -0.218 4.141 1.150 1.00 3.02 H new ATOM 0 HD12 LEU A 46 -1.192 4.205 -0.338 1.00 3.02 H new ATOM 0 HD13 LEU A 46 -0.731 2.633 0.356 1.00 3.02 H new ATOM 0 HD21 LEU A 46 2.045 3.304 1.119 1.00 2.58 H new ATOM 0 HD22 LEU A 46 1.580 1.834 0.232 1.00 2.58 H new ATOM 0 HD23 LEU A 46 2.865 2.888 -0.404 1.00 2.58 H new ATOM 704 N LYS A 47 -0.023 5.349 -4.522 1.00 0.93 N ATOM 705 CA LYS A 47 -0.199 6.690 -5.105 1.00 1.00 C ATOM 706 C LYS A 47 -1.680 6.992 -5.373 1.00 0.87 C ATOM 707 O LYS A 47 -2.192 7.952 -4.797 1.00 1.08 O ATOM 708 CB LYS A 47 0.666 6.877 -6.371 1.00 1.12 C ATOM 709 CG LYS A 47 2.153 7.078 -6.035 1.00 1.24 C ATOM 710 CD LYS A 47 3.050 7.146 -7.282 1.00 1.36 C ATOM 711 CE LYS A 47 4.497 7.389 -6.832 1.00 2.45 C ATOM 712 NZ LYS A 47 5.425 7.591 -7.966 1.00 2.80 N ATOM 0 H LYS A 47 0.395 4.681 -5.169 1.00 0.93 H new ATOM 0 HA LYS A 47 0.151 7.417 -4.372 1.00 1.00 H new ATOM 0 HB2 LYS A 47 0.556 6.005 -7.016 1.00 1.12 H new ATOM 0 HB3 LYS A 47 0.303 7.737 -6.933 1.00 1.12 H new ATOM 0 HG2 LYS A 47 2.268 7.998 -5.461 1.00 1.24 H new ATOM 0 HG3 LYS A 47 2.489 6.260 -5.397 1.00 1.24 H new ATOM 0 HD2 LYS A 47 2.981 6.217 -7.849 1.00 1.36 H new ATOM 0 HD3 LYS A 47 2.720 7.948 -7.942 1.00 1.36 H new ATOM 0 HE2 LYS A 47 4.528 8.264 -6.183 1.00 2.45 H new ATOM 0 HE3 LYS A 47 4.835 6.540 -6.239 1.00 2.45 H new ATOM 0 HZ1 LYS A 47 6.387 7.750 -7.603 1.00 2.80 H new ATOM 0 HZ2 LYS A 47 5.420 6.747 -8.574 1.00 2.80 H new ATOM 0 HZ3 LYS A 47 5.122 8.418 -8.519 1.00 2.80 H new ATOM 726 N VAL A 48 -2.379 6.216 -6.209 1.00 0.76 N ATOM 727 CA VAL A 48 -3.673 6.638 -6.794 1.00 0.71 C ATOM 728 C VAL A 48 -4.738 5.514 -6.899 1.00 0.66 C ATOM 729 O VAL A 48 -5.266 5.222 -7.977 1.00 0.71 O ATOM 730 CB VAL A 48 -3.383 7.426 -8.095 1.00 0.84 C ATOM 731 CG1 VAL A 48 -2.966 6.583 -9.311 1.00 1.40 C ATOM 732 CG2 VAL A 48 -4.532 8.384 -8.409 1.00 1.83 C ATOM 0 H VAL A 48 -2.075 5.287 -6.501 1.00 0.76 H new ATOM 0 HA VAL A 48 -4.178 7.312 -6.102 1.00 0.71 H new ATOM 0 HB VAL A 48 -2.484 8.006 -7.885 1.00 0.84 H new ATOM 0 HG11 VAL A 48 -2.789 7.238 -10.164 1.00 1.40 H new ATOM 0 HG12 VAL A 48 -2.053 6.035 -9.078 1.00 1.40 H new ATOM 0 HG13 VAL A 48 -3.760 5.877 -9.554 1.00 1.40 H new ATOM 0 HG21 VAL A 48 -4.311 8.929 -9.327 1.00 1.83 H new ATOM 0 HG22 VAL A 48 -5.454 7.817 -8.537 1.00 1.83 H new ATOM 0 HG23 VAL A 48 -4.652 9.090 -7.587 1.00 1.83 H new ATOM 742 N PRO A 49 -5.129 4.880 -5.776 1.00 0.66 N ATOM 743 CA PRO A 49 -5.940 3.655 -5.801 1.00 0.70 C ATOM 744 C PRO A 49 -7.349 3.875 -6.368 1.00 0.80 C ATOM 745 O PRO A 49 -7.833 3.068 -7.158 1.00 1.16 O ATOM 746 CB PRO A 49 -5.990 3.172 -4.345 1.00 0.75 C ATOM 747 CG PRO A 49 -5.783 4.447 -3.525 1.00 0.80 C ATOM 748 CD PRO A 49 -4.883 5.313 -4.406 1.00 0.74 C ATOM 0 HA PRO A 49 -5.495 2.915 -6.467 1.00 0.70 H new ATOM 0 HB2 PRO A 49 -6.945 2.699 -4.114 1.00 0.75 H new ATOM 0 HB3 PRO A 49 -5.212 2.436 -4.142 1.00 0.75 H new ATOM 0 HG2 PRO A 49 -6.730 4.943 -3.313 1.00 0.80 H new ATOM 0 HG3 PRO A 49 -5.314 4.232 -2.565 1.00 0.80 H new ATOM 0 HD2 PRO A 49 -5.117 6.371 -4.283 1.00 0.74 H new ATOM 0 HD3 PRO A 49 -3.834 5.185 -4.138 1.00 0.74 H new ATOM 756 N ASP A 50 -7.988 5.007 -6.051 1.00 0.68 N ATOM 757 CA ASP A 50 -9.340 5.337 -6.523 1.00 0.77 C ATOM 758 C ASP A 50 -9.420 5.528 -8.052 1.00 0.78 C ATOM 759 O ASP A 50 -10.490 5.342 -8.639 1.00 0.90 O ATOM 760 CB ASP A 50 -9.819 6.594 -5.782 1.00 0.93 C ATOM 761 CG ASP A 50 -11.288 6.920 -6.068 1.00 1.38 C ATOM 762 OD1 ASP A 50 -12.180 6.192 -5.560 1.00 2.20 O ATOM 763 OD2 ASP A 50 -11.563 7.903 -6.797 1.00 2.30 O ATOM 0 H ASP A 50 -7.579 5.726 -5.455 1.00 0.68 H new ATOM 0 HA ASP A 50 -9.994 4.493 -6.303 1.00 0.77 H new ATOM 0 HB2 ASP A 50 -9.684 6.453 -4.710 1.00 0.93 H new ATOM 0 HB3 ASP A 50 -9.199 7.442 -6.073 1.00 0.93 H new ATOM 768 N GLN A 51 -8.297 5.858 -8.702 1.00 0.79 N ATOM 769 CA GLN A 51 -8.167 5.956 -10.158 1.00 0.83 C ATOM 770 C GLN A 51 -7.852 4.587 -10.779 1.00 0.76 C ATOM 771 O GLN A 51 -8.499 4.206 -11.750 1.00 0.82 O ATOM 772 CB GLN A 51 -7.103 7.014 -10.482 1.00 0.93 C ATOM 773 CG GLN A 51 -7.023 7.380 -11.968 1.00 1.38 C ATOM 774 CD GLN A 51 -6.000 8.487 -12.244 1.00 1.78 C ATOM 775 OE1 GLN A 51 -5.835 9.430 -11.478 1.00 2.08 O ATOM 776 NE2 GLN A 51 -5.286 8.415 -13.342 1.00 2.78 N ATOM 0 H GLN A 51 -7.428 6.070 -8.212 1.00 0.79 H new ATOM 0 HA GLN A 51 -9.113 6.270 -10.600 1.00 0.83 H new ATOM 0 HB2 GLN A 51 -7.314 7.915 -9.907 1.00 0.93 H new ATOM 0 HB3 GLN A 51 -6.130 6.648 -10.155 1.00 0.93 H new ATOM 0 HG2 GLN A 51 -6.758 6.493 -12.544 1.00 1.38 H new ATOM 0 HG3 GLN A 51 -8.005 7.703 -12.313 1.00 1.38 H new ATOM 0 HE21 GLN A 51 -5.417 7.634 -13.985 1.00 2.78 H new ATOM 0 HE22 GLN A 51 -4.600 9.140 -13.553 1.00 2.78 H new ATOM 785 N MET A 52 -6.950 3.796 -10.182 1.00 0.73 N ATOM 786 CA MET A 52 -6.675 2.414 -10.596 1.00 0.69 C ATOM 787 C MET A 52 -7.899 1.483 -10.477 1.00 0.64 C ATOM 788 O MET A 52 -8.071 0.565 -11.282 1.00 0.74 O ATOM 789 CB MET A 52 -5.517 1.874 -9.739 1.00 0.75 C ATOM 790 CG MET A 52 -4.188 2.072 -10.455 1.00 1.76 C ATOM 791 SD MET A 52 -2.719 1.631 -9.496 1.00 2.18 S ATOM 792 CE MET A 52 -2.865 -0.172 -9.518 1.00 1.18 C ATOM 0 H MET A 52 -6.385 4.101 -9.390 1.00 0.73 H new ATOM 0 HA MET A 52 -6.412 2.430 -11.654 1.00 0.69 H new ATOM 0 HB2 MET A 52 -5.499 2.386 -8.777 1.00 0.75 H new ATOM 0 HB3 MET A 52 -5.672 0.815 -9.533 1.00 0.75 H new ATOM 0 HG2 MET A 52 -4.195 1.480 -11.370 1.00 1.76 H new ATOM 0 HG3 MET A 52 -4.107 3.117 -10.753 1.00 1.76 H new ATOM 0 HE1 MET A 52 -2.908 -0.546 -8.495 1.00 1.18 H new ATOM 0 HE2 MET A 52 -3.774 -0.457 -10.047 1.00 1.18 H new ATOM 0 HE3 MET A 52 -2.001 -0.601 -10.025 1.00 1.18 H new ATOM 802 N LEU A 53 -8.774 1.728 -9.500 1.00 0.63 N ATOM 803 CA LEU A 53 -10.044 1.020 -9.357 1.00 0.67 C ATOM 804 C LEU A 53 -11.110 1.539 -10.348 1.00 0.71 C ATOM 805 O LEU A 53 -11.874 0.745 -10.898 1.00 0.82 O ATOM 806 CB LEU A 53 -10.460 1.094 -7.874 1.00 0.80 C ATOM 807 CG LEU A 53 -11.603 0.150 -7.459 1.00 1.03 C ATOM 808 CD1 LEU A 53 -11.289 -1.324 -7.724 1.00 2.13 C ATOM 809 CD2 LEU A 53 -11.878 0.311 -5.958 1.00 1.96 C ATOM 0 H LEU A 53 -8.617 2.432 -8.779 1.00 0.63 H new ATOM 0 HA LEU A 53 -9.935 -0.031 -9.626 1.00 0.67 H new ATOM 0 HB2 LEU A 53 -9.588 0.873 -7.259 1.00 0.80 H new ATOM 0 HB3 LEU A 53 -10.758 2.118 -7.649 1.00 0.80 H new ATOM 0 HG LEU A 53 -12.468 0.426 -8.062 1.00 1.03 H new ATOM 0 HD11 LEU A 53 -12.133 -1.938 -7.410 1.00 2.13 H new ATOM 0 HD12 LEU A 53 -11.109 -1.472 -8.789 1.00 2.13 H new ATOM 0 HD13 LEU A 53 -10.401 -1.614 -7.162 1.00 2.13 H new ATOM 0 HD21 LEU A 53 -12.687 -0.357 -5.663 1.00 1.96 H new ATOM 0 HD22 LEU A 53 -10.979 0.063 -5.395 1.00 1.96 H new ATOM 0 HD23 LEU A 53 -12.164 1.342 -5.749 1.00 1.96 H new ATOM 821 N ALA A 54 -11.127 2.844 -10.651 1.00 0.71 N ATOM 822 CA ALA A 54 -12.029 3.438 -11.649 1.00 0.86 C ATOM 823 C ALA A 54 -11.682 3.061 -13.103 1.00 0.94 C ATOM 824 O ALA A 54 -12.595 2.859 -13.910 1.00 1.17 O ATOM 825 CB ALA A 54 -12.044 4.960 -11.473 1.00 0.94 C ATOM 0 H ALA A 54 -10.510 3.524 -10.207 1.00 0.71 H new ATOM 0 HA ALA A 54 -13.022 3.025 -11.470 1.00 0.86 H new ATOM 0 HB1 ALA A 54 -12.712 5.405 -12.211 1.00 0.94 H new ATOM 0 HB2 ALA A 54 -12.395 5.207 -10.471 1.00 0.94 H new ATOM 0 HB3 ALA A 54 -11.037 5.352 -11.612 1.00 0.94 H new ATOM 831 N GLU A 55 -10.394 2.919 -13.439 1.00 0.86 N ATOM 832 CA GLU A 55 -9.922 2.476 -14.765 1.00 0.98 C ATOM 833 C GLU A 55 -10.144 0.972 -15.013 1.00 0.97 C ATOM 834 O GLU A 55 -9.987 0.493 -16.142 1.00 1.16 O ATOM 835 CB GLU A 55 -8.442 2.873 -14.976 1.00 1.08 C ATOM 836 CG GLU A 55 -7.423 1.959 -14.292 1.00 1.26 C ATOM 837 CD GLU A 55 -5.981 2.305 -14.686 1.00 1.72 C ATOM 838 OE1 GLU A 55 -5.500 3.419 -14.379 1.00 2.56 O ATOM 839 OE2 GLU A 55 -5.307 1.465 -15.337 1.00 2.69 O ATOM 0 H GLU A 55 -9.633 3.111 -12.787 1.00 0.86 H new ATOM 0 HA GLU A 55 -10.530 2.994 -15.507 1.00 0.98 H new ATOM 0 HB2 GLU A 55 -8.234 2.887 -16.046 1.00 1.08 H new ATOM 0 HB3 GLU A 55 -8.299 3.890 -14.610 1.00 1.08 H new ATOM 0 HG2 GLU A 55 -7.532 2.040 -13.211 1.00 1.26 H new ATOM 0 HG3 GLU A 55 -7.632 0.922 -14.556 1.00 1.26 H new ATOM 846 N LYS A 56 -10.501 0.228 -13.956 1.00 0.95 N ATOM 847 CA LYS A 56 -10.606 -1.236 -13.907 1.00 0.98 C ATOM 848 C LYS A 56 -9.296 -1.911 -14.322 1.00 1.02 C ATOM 849 O LYS A 56 -9.188 -2.528 -15.386 1.00 1.62 O ATOM 850 CB LYS A 56 -11.871 -1.731 -14.638 1.00 1.37 C ATOM 851 CG LYS A 56 -13.128 -1.047 -14.073 1.00 2.17 C ATOM 852 CD LYS A 56 -14.428 -1.725 -14.511 1.00 2.89 C ATOM 853 CE LYS A 56 -15.587 -1.049 -13.773 1.00 4.04 C ATOM 854 NZ LYS A 56 -16.890 -1.657 -14.113 1.00 4.89 N ATOM 0 H LYS A 56 -10.738 0.657 -13.062 1.00 0.95 H new ATOM 0 HA LYS A 56 -10.748 -1.548 -12.873 1.00 0.98 H new ATOM 0 HB2 LYS A 56 -11.786 -1.523 -15.705 1.00 1.37 H new ATOM 0 HB3 LYS A 56 -11.960 -2.812 -14.530 1.00 1.37 H new ATOM 0 HG2 LYS A 56 -13.075 -1.045 -12.984 1.00 2.17 H new ATOM 0 HG3 LYS A 56 -13.143 -0.005 -14.393 1.00 2.17 H new ATOM 0 HD2 LYS A 56 -14.559 -1.636 -15.589 1.00 2.89 H new ATOM 0 HD3 LYS A 56 -14.399 -2.790 -14.280 1.00 2.89 H new ATOM 0 HE2 LYS A 56 -15.423 -1.121 -12.698 1.00 4.04 H new ATOM 0 HE3 LYS A 56 -15.606 0.012 -14.022 1.00 4.04 H new ATOM 0 HZ1 LYS A 56 -17.647 -1.170 -13.592 1.00 4.89 H new ATOM 0 HZ2 LYS A 56 -17.059 -1.566 -15.135 1.00 4.89 H new ATOM 0 HZ3 LYS A 56 -16.882 -2.664 -13.852 1.00 4.89 H new ATOM 868 N ASP A 57 -8.292 -1.757 -13.461 1.00 0.80 N ATOM 869 CA ASP A 57 -7.106 -2.605 -13.386 1.00 0.86 C ATOM 870 C ASP A 57 -7.568 -3.870 -12.663 1.00 0.84 C ATOM 871 O ASP A 57 -8.037 -3.807 -11.521 1.00 0.85 O ATOM 872 CB ASP A 57 -5.965 -1.891 -12.643 1.00 0.92 C ATOM 873 CG ASP A 57 -4.644 -2.657 -12.776 1.00 1.25 C ATOM 874 OD1 ASP A 57 -4.432 -3.671 -12.069 1.00 2.48 O ATOM 875 OD2 ASP A 57 -3.818 -2.262 -13.631 1.00 1.90 O ATOM 0 H ASP A 57 -8.283 -1.008 -12.769 1.00 0.80 H new ATOM 0 HA ASP A 57 -6.701 -2.842 -14.370 1.00 0.86 H new ATOM 0 HB2 ASP A 57 -5.844 -0.883 -13.041 1.00 0.92 H new ATOM 0 HB3 ASP A 57 -6.223 -1.789 -11.589 1.00 0.92 H new ATOM 880 N PRO A 58 -7.563 -5.014 -13.345 1.00 0.90 N ATOM 881 CA PRO A 58 -8.359 -6.159 -12.918 1.00 1.02 C ATOM 882 C PRO A 58 -7.827 -6.849 -11.662 1.00 1.12 C ATOM 883 O PRO A 58 -8.587 -7.482 -10.926 1.00 1.89 O ATOM 884 CB PRO A 58 -8.357 -7.039 -14.150 1.00 1.14 C ATOM 885 CG PRO A 58 -7.037 -6.728 -14.853 1.00 1.10 C ATOM 886 CD PRO A 58 -6.973 -5.232 -14.661 1.00 0.96 C ATOM 0 HA PRO A 58 -9.363 -5.881 -12.598 1.00 1.02 H new ATOM 0 HB2 PRO A 58 -8.423 -8.094 -13.882 1.00 1.14 H new ATOM 0 HB3 PRO A 58 -9.209 -6.819 -14.794 1.00 1.14 H new ATOM 0 HG2 PRO A 58 -6.192 -7.242 -14.395 1.00 1.10 H new ATOM 0 HG3 PRO A 58 -7.050 -7.011 -15.905 1.00 1.10 H new ATOM 0 HD2 PRO A 58 -5.946 -4.869 -14.702 1.00 0.96 H new ATOM 0 HD3 PRO A 58 -7.528 -4.707 -15.438 1.00 0.96 H new ATOM 894 N LEU A 59 -6.543 -6.661 -11.370 1.00 0.70 N ATOM 895 CA LEU A 59 -5.952 -7.037 -10.084 1.00 0.66 C ATOM 896 C LEU A 59 -6.482 -6.160 -8.933 1.00 0.63 C ATOM 897 O LEU A 59 -6.744 -6.678 -7.854 1.00 0.68 O ATOM 898 CB LEU A 59 -4.420 -6.996 -10.202 1.00 0.72 C ATOM 899 CG LEU A 59 -3.674 -7.439 -8.925 1.00 0.88 C ATOM 900 CD1 LEU A 59 -4.027 -8.862 -8.486 1.00 1.17 C ATOM 901 CD2 LEU A 59 -2.170 -7.391 -9.180 1.00 1.59 C ATOM 0 H LEU A 59 -5.878 -6.242 -12.020 1.00 0.70 H new ATOM 0 HA LEU A 59 -6.250 -8.056 -9.835 1.00 0.66 H new ATOM 0 HB2 LEU A 59 -4.113 -7.637 -11.029 1.00 0.72 H new ATOM 0 HB3 LEU A 59 -4.113 -5.981 -10.455 1.00 0.72 H new ATOM 0 HG LEU A 59 -3.978 -6.755 -8.133 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -3.470 -9.113 -7.583 1.00 1.17 H new ATOM 0 HD12 LEU A 59 -5.096 -8.925 -8.282 1.00 1.17 H new ATOM 0 HD13 LEU A 59 -3.767 -9.563 -9.279 1.00 1.17 H new ATOM 0 HD21 LEU A 59 -1.638 -7.703 -8.281 1.00 1.59 H new ATOM 0 HD22 LEU A 59 -1.919 -8.062 -10.001 1.00 1.59 H new ATOM 0 HD23 LEU A 59 -1.877 -6.374 -9.440 1.00 1.59 H new ATOM 913 N ALA A 60 -6.716 -4.862 -9.149 1.00 0.65 N ATOM 914 CA ALA A 60 -7.292 -3.982 -8.129 1.00 0.72 C ATOM 915 C ALA A 60 -8.774 -4.290 -7.852 1.00 0.68 C ATOM 916 O ALA A 60 -9.190 -4.372 -6.696 1.00 0.73 O ATOM 917 CB ALA A 60 -7.120 -2.527 -8.558 1.00 0.84 C ATOM 0 H ALA A 60 -6.512 -4.394 -10.032 1.00 0.65 H new ATOM 0 HA ALA A 60 -6.757 -4.160 -7.196 1.00 0.72 H new ATOM 0 HB1 ALA A 60 -7.548 -1.871 -7.800 1.00 0.84 H new ATOM 0 HB2 ALA A 60 -6.059 -2.305 -8.673 1.00 0.84 H new ATOM 0 HB3 ALA A 60 -7.630 -2.365 -9.508 1.00 0.84 H new ATOM 923 N MET A 61 -9.556 -4.532 -8.910 1.00 0.66 N ATOM 924 CA MET A 61 -10.955 -4.974 -8.838 1.00 0.66 C ATOM 925 C MET A 61 -11.126 -6.256 -8.006 1.00 0.63 C ATOM 926 O MET A 61 -12.129 -6.423 -7.309 1.00 0.70 O ATOM 927 CB MET A 61 -11.432 -5.232 -10.272 1.00 0.82 C ATOM 928 CG MET A 61 -11.482 -3.961 -11.131 1.00 0.80 C ATOM 929 SD MET A 61 -12.894 -2.878 -10.805 1.00 1.59 S ATOM 930 CE MET A 61 -14.191 -3.951 -11.469 1.00 1.95 C ATOM 0 H MET A 61 -9.224 -4.423 -9.868 1.00 0.66 H new ATOM 0 HA MET A 61 -11.542 -4.198 -8.347 1.00 0.66 H new ATOM 0 HB2 MET A 61 -10.768 -5.956 -10.744 1.00 0.82 H new ATOM 0 HB3 MET A 61 -12.424 -5.682 -10.242 1.00 0.82 H new ATOM 0 HG2 MET A 61 -10.564 -3.395 -10.971 1.00 0.80 H new ATOM 0 HG3 MET A 61 -11.499 -4.250 -12.182 1.00 0.80 H new ATOM 0 HE1 MET A 61 -15.050 -3.346 -11.760 1.00 1.95 H new ATOM 0 HE2 MET A 61 -13.811 -4.485 -12.340 1.00 1.95 H new ATOM 0 HE3 MET A 61 -14.494 -4.669 -10.707 1.00 1.95 H new ATOM 940 N LEU A 62 -10.131 -7.144 -8.053 1.00 0.65 N ATOM 941 CA LEU A 62 -10.021 -8.335 -7.213 1.00 0.75 C ATOM 942 C LEU A 62 -9.588 -7.987 -5.782 1.00 0.81 C ATOM 943 O LEU A 62 -10.221 -8.434 -4.823 1.00 0.95 O ATOM 944 CB LEU A 62 -8.996 -9.256 -7.888 1.00 0.86 C ATOM 945 CG LEU A 62 -9.136 -10.756 -7.569 1.00 1.40 C ATOM 946 CD1 LEU A 62 -8.338 -11.568 -8.590 1.00 2.19 C ATOM 947 CD2 LEU A 62 -8.618 -11.141 -6.180 1.00 2.88 C ATOM 0 H LEU A 62 -9.351 -7.048 -8.703 1.00 0.65 H new ATOM 0 HA LEU A 62 -10.991 -8.824 -7.122 1.00 0.75 H new ATOM 0 HB2 LEU A 62 -9.071 -9.124 -8.967 1.00 0.86 H new ATOM 0 HB3 LEU A 62 -7.997 -8.933 -7.596 1.00 0.86 H new ATOM 0 HG LEU A 62 -10.204 -10.971 -7.605 1.00 1.40 H new ATOM 0 HD11 LEU A 62 -8.435 -12.630 -8.366 1.00 2.19 H new ATOM 0 HD12 LEU A 62 -8.722 -11.371 -9.591 1.00 2.19 H new ATOM 0 HD13 LEU A 62 -7.287 -11.282 -8.541 1.00 2.19 H new ATOM 0 HD21 LEU A 62 -8.750 -12.212 -6.027 1.00 2.88 H new ATOM 0 HD22 LEU A 62 -7.560 -10.891 -6.104 1.00 2.88 H new ATOM 0 HD23 LEU A 62 -9.176 -10.594 -5.419 1.00 2.88 H new ATOM 959 N LEU A 63 -8.518 -7.193 -5.634 1.00 0.82 N ATOM 960 CA LEU A 63 -7.820 -6.977 -4.368 1.00 1.02 C ATOM 961 C LEU A 63 -8.692 -6.202 -3.377 1.00 1.04 C ATOM 962 O LEU A 63 -8.711 -6.510 -2.185 1.00 1.22 O ATOM 963 CB LEU A 63 -6.490 -6.274 -4.720 1.00 1.24 C ATOM 964 CG LEU A 63 -5.499 -5.925 -3.596 1.00 1.23 C ATOM 965 CD1 LEU A 63 -5.855 -4.631 -2.869 1.00 2.40 C ATOM 966 CD2 LEU A 63 -5.346 -7.062 -2.592 1.00 1.94 C ATOM 0 H LEU A 63 -8.108 -6.674 -6.411 1.00 0.82 H new ATOM 0 HA LEU A 63 -7.605 -7.914 -3.854 1.00 1.02 H new ATOM 0 HB2 LEU A 63 -5.964 -6.908 -5.434 1.00 1.24 H new ATOM 0 HB3 LEU A 63 -6.737 -5.347 -5.238 1.00 1.24 H new ATOM 0 HG LEU A 63 -4.542 -5.771 -4.094 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -5.120 -4.438 -2.088 1.00 2.40 H new ATOM 0 HD12 LEU A 63 -5.856 -3.803 -3.578 1.00 2.40 H new ATOM 0 HD13 LEU A 63 -6.844 -4.726 -2.421 1.00 2.40 H new ATOM 0 HD21 LEU A 63 -4.637 -6.770 -1.817 1.00 1.94 H new ATOM 0 HD22 LEU A 63 -6.313 -7.278 -2.137 1.00 1.94 H new ATOM 0 HD23 LEU A 63 -4.979 -7.952 -3.103 1.00 1.94 H new ATOM 978 N PHE A 64 -9.479 -5.251 -3.875 1.00 0.87 N ATOM 979 CA PHE A 64 -10.367 -4.468 -3.001 1.00 0.83 C ATOM 980 C PHE A 64 -11.571 -5.299 -2.519 1.00 0.80 C ATOM 981 O PHE A 64 -11.965 -5.231 -1.353 1.00 0.90 O ATOM 982 CB PHE A 64 -10.716 -3.116 -3.644 1.00 0.78 C ATOM 983 CG PHE A 64 -12.152 -2.932 -4.098 1.00 0.70 C ATOM 984 CD1 PHE A 64 -12.609 -3.545 -5.278 1.00 1.87 C ATOM 985 CD2 PHE A 64 -13.019 -2.116 -3.351 1.00 1.75 C ATOM 986 CE1 PHE A 64 -13.922 -3.316 -5.729 1.00 1.87 C ATOM 987 CE2 PHE A 64 -14.324 -1.868 -3.809 1.00 1.79 C ATOM 988 CZ PHE A 64 -14.771 -2.459 -5.005 1.00 0.78 C ATOM 0 H PHE A 64 -9.525 -5.002 -4.863 1.00 0.87 H new ATOM 0 HA PHE A 64 -9.835 -4.216 -2.083 1.00 0.83 H new ATOM 0 HB2 PHE A 64 -10.481 -2.328 -2.929 1.00 0.78 H new ATOM 0 HB3 PHE A 64 -10.065 -2.970 -4.506 1.00 0.78 H new ATOM 0 HD1 PHE A 64 -11.951 -4.192 -5.839 1.00 1.87 H new ATOM 0 HD2 PHE A 64 -12.681 -1.679 -2.423 1.00 1.75 H new ATOM 0 HE1 PHE A 64 -14.277 -3.797 -6.629 1.00 1.87 H new ATOM 0 HE2 PHE A 64 -14.983 -1.225 -3.244 1.00 1.79 H new ATOM 0 HZ PHE A 64 -15.767 -2.254 -5.368 1.00 0.78 H new ATOM 998 N GLU A 65 -12.121 -6.172 -3.370 1.00 0.76 N ATOM 999 CA GLU A 65 -13.162 -7.112 -3.010 1.00 0.86 C ATOM 1000 C GLU A 65 -12.663 -8.278 -2.128 1.00 1.04 C ATOM 1001 O GLU A 65 -13.442 -8.820 -1.341 1.00 1.21 O ATOM 1002 CB GLU A 65 -13.862 -7.511 -4.314 1.00 0.92 C ATOM 1003 CG GLU A 65 -15.154 -8.238 -3.984 1.00 1.64 C ATOM 1004 CD GLU A 65 -16.139 -8.261 -5.155 1.00 1.77 C ATOM 1005 OE1 GLU A 65 -15.740 -8.701 -6.262 1.00 2.14 O ATOM 1006 OE2 GLU A 65 -17.300 -7.813 -4.974 1.00 2.93 O ATOM 0 H GLU A 65 -11.841 -6.238 -4.349 1.00 0.76 H new ATOM 0 HA GLU A 65 -13.896 -6.653 -2.347 1.00 0.86 H new ATOM 0 HB2 GLU A 65 -14.072 -6.626 -4.914 1.00 0.92 H new ATOM 0 HB3 GLU A 65 -13.211 -8.152 -4.909 1.00 0.92 H new ATOM 0 HG2 GLU A 65 -14.924 -9.262 -3.689 1.00 1.64 H new ATOM 0 HG3 GLU A 65 -15.627 -7.758 -3.127 1.00 1.64 H new ATOM 1013 N GLN A 66 -11.363 -8.603 -2.149 1.00 1.13 N ATOM 1014 CA GLN A 66 -10.744 -9.601 -1.259 1.00 1.38 C ATOM 1015 C GLN A 66 -10.838 -9.193 0.222 1.00 1.08 C ATOM 1016 O GLN A 66 -11.047 -10.035 1.099 1.00 1.23 O ATOM 1017 CB GLN A 66 -9.273 -9.803 -1.681 1.00 1.96 C ATOM 1018 CG GLN A 66 -8.547 -10.948 -0.952 1.00 3.30 C ATOM 1019 CD GLN A 66 -7.032 -10.894 -1.144 1.00 5.09 C ATOM 1020 OE1 GLN A 66 -6.419 -11.712 -1.824 1.00 5.44 O ATOM 1021 NE2 GLN A 66 -6.364 -9.952 -0.519 1.00 6.97 N ATOM 0 H GLN A 66 -10.700 -8.174 -2.794 1.00 1.13 H new ATOM 0 HA GLN A 66 -11.290 -10.539 -1.357 1.00 1.38 H new ATOM 0 HB2 GLN A 66 -9.240 -9.994 -2.754 1.00 1.96 H new ATOM 0 HB3 GLN A 66 -8.728 -8.875 -1.506 1.00 1.96 H new ATOM 0 HG2 GLN A 66 -8.777 -10.901 0.112 1.00 3.30 H new ATOM 0 HG3 GLN A 66 -8.923 -11.904 -1.318 1.00 3.30 H new ATOM 0 HE21 GLN A 66 -6.861 -9.266 0.049 1.00 6.97 H new ATOM 0 HE22 GLN A 66 -5.348 -9.906 -0.602 1.00 6.97 H new ATOM 1030 N TYR A 67 -10.743 -7.894 0.513 1.00 0.92 N ATOM 1031 CA TYR A 67 -10.938 -7.334 1.854 1.00 0.95 C ATOM 1032 C TYR A 67 -12.407 -6.907 2.073 1.00 1.09 C ATOM 1033 O TYR A 67 -12.692 -5.800 2.524 1.00 1.58 O ATOM 1034 CB TYR A 67 -9.864 -6.263 2.115 1.00 1.15 C ATOM 1035 CG TYR A 67 -8.454 -6.838 2.225 1.00 1.35 C ATOM 1036 CD1 TYR A 67 -8.073 -7.533 3.393 1.00 2.36 C ATOM 1037 CD2 TYR A 67 -7.525 -6.699 1.170 1.00 2.10 C ATOM 1038 CE1 TYR A 67 -6.779 -8.077 3.513 1.00 2.65 C ATOM 1039 CE2 TYR A 67 -6.223 -7.230 1.293 1.00 2.28 C ATOM 1040 CZ TYR A 67 -5.845 -7.922 2.467 1.00 2.01 C ATOM 1041 OH TYR A 67 -4.586 -8.430 2.579 1.00 2.40 O ATOM 0 H TYR A 67 -10.524 -7.188 -0.189 1.00 0.92 H new ATOM 0 HA TYR A 67 -10.785 -8.089 2.625 1.00 0.95 H new ATOM 0 HB2 TYR A 67 -9.888 -5.530 1.309 1.00 1.15 H new ATOM 0 HB3 TYR A 67 -10.106 -5.732 3.036 1.00 1.15 H new ATOM 0 HD1 TYR A 67 -8.780 -7.649 4.202 1.00 2.36 H new ATOM 0 HD2 TYR A 67 -7.812 -6.184 0.265 1.00 2.10 H new ATOM 0 HE1 TYR A 67 -6.501 -8.614 4.408 1.00 2.65 H new ATOM 0 HE2 TYR A 67 -5.513 -7.107 0.488 1.00 2.28 H new ATOM 0 HH TYR A 67 -4.079 -8.231 1.764 1.00 2.40 H new ATOM 1051 N ASN A 68 -13.346 -7.802 1.729 1.00 1.20 N ATOM 1052 CA ASN A 68 -14.811 -7.640 1.795 1.00 1.69 C ATOM 1053 C ASN A 68 -15.323 -6.318 1.177 1.00 1.47 C ATOM 1054 O ASN A 68 -16.111 -5.583 1.786 1.00 1.52 O ATOM 1055 CB ASN A 68 -15.325 -7.938 3.218 1.00 2.29 C ATOM 1056 CG ASN A 68 -16.844 -8.062 3.306 1.00 3.09 C ATOM 1057 OD1 ASN A 68 -17.559 -8.248 2.325 1.00 3.60 O ATOM 1058 ND2 ASN A 68 -17.393 -7.963 4.492 1.00 3.51 N ATOM 0 H ASN A 68 -13.086 -8.722 1.373 1.00 1.20 H new ATOM 0 HA ASN A 68 -15.258 -8.391 1.144 1.00 1.69 H new ATOM 0 HB2 ASN A 68 -14.872 -8.864 3.572 1.00 2.29 H new ATOM 0 HB3 ASN A 68 -14.994 -7.145 3.888 1.00 2.29 H new ATOM 0 HD21 ASN A 68 -18.405 -8.040 4.594 1.00 3.51 H new ATOM 0 HD22 ASN A 68 -16.808 -7.809 5.313 1.00 3.51 H new ATOM 1065 N ARG A 69 -14.846 -6.016 -0.040 1.00 1.31 N ATOM 1066 CA ARG A 69 -15.210 -4.831 -0.846 1.00 1.22 C ATOM 1067 C ARG A 69 -15.119 -3.487 -0.105 1.00 1.16 C ATOM 1068 O ARG A 69 -15.992 -2.622 -0.245 1.00 1.66 O ATOM 1069 CB ARG A 69 -16.568 -5.091 -1.531 1.00 1.51 C ATOM 1070 CG ARG A 69 -16.751 -4.290 -2.830 1.00 2.05 C ATOM 1071 CD ARG A 69 -18.135 -4.538 -3.440 1.00 2.00 C ATOM 1072 NE ARG A 69 -18.392 -3.649 -4.584 1.00 3.26 N ATOM 1073 CZ ARG A 69 -18.052 -3.874 -5.868 1.00 4.27 C ATOM 1074 NH1 ARG A 69 -17.415 -4.992 -6.250 1.00 4.54 N ATOM 1075 NH2 ARG A 69 -18.352 -2.950 -6.792 1.00 5.72 N ATOM 0 H ARG A 69 -14.168 -6.613 -0.513 1.00 1.31 H new ATOM 0 HA ARG A 69 -14.450 -4.704 -1.617 1.00 1.22 H new ATOM 0 HB2 ARG A 69 -16.659 -6.155 -1.751 1.00 1.51 H new ATOM 0 HB3 ARG A 69 -17.371 -4.838 -0.839 1.00 1.51 H new ATOM 0 HG2 ARG A 69 -16.625 -3.227 -2.626 1.00 2.05 H new ATOM 0 HG3 ARG A 69 -15.979 -4.571 -3.546 1.00 2.05 H new ATOM 0 HD2 ARG A 69 -18.210 -5.577 -3.762 1.00 2.00 H new ATOM 0 HD3 ARG A 69 -18.901 -4.384 -2.680 1.00 2.00 H new ATOM 0 HE ARG A 69 -18.877 -2.774 -4.385 1.00 3.26 H new ATOM 0 HH11 ARG A 69 -17.174 -5.703 -5.559 1.00 4.54 H new ATOM 0 HH12 ARG A 69 -17.172 -5.131 -7.231 1.00 4.54 H new ATOM 0 HH21 ARG A 69 -18.831 -2.092 -6.518 1.00 5.72 H new ATOM 0 HH22 ARG A 69 -18.101 -3.105 -7.768 1.00 5.72 H new ATOM 1089 N LEU A 70 -14.060 -3.309 0.681 1.00 1.07 N ATOM 1090 CA LEU A 70 -13.698 -2.046 1.330 1.00 1.08 C ATOM 1091 C LEU A 70 -12.503 -1.427 0.589 1.00 1.49 C ATOM 1092 O LEU A 70 -11.468 -2.072 0.440 1.00 3.38 O ATOM 1093 CB LEU A 70 -13.410 -2.327 2.816 1.00 1.22 C ATOM 1094 CG LEU A 70 -13.136 -1.083 3.681 1.00 1.17 C ATOM 1095 CD1 LEU A 70 -14.374 -0.198 3.837 1.00 2.35 C ATOM 1096 CD2 LEU A 70 -12.705 -1.526 5.077 1.00 2.22 C ATOM 0 H LEU A 70 -13.407 -4.063 0.892 1.00 1.07 H new ATOM 0 HA LEU A 70 -14.510 -1.320 1.285 1.00 1.08 H new ATOM 0 HB2 LEU A 70 -14.260 -2.863 3.239 1.00 1.22 H new ATOM 0 HB3 LEU A 70 -12.549 -2.992 2.883 1.00 1.22 H new ATOM 0 HG LEU A 70 -12.357 -0.509 3.179 1.00 1.17 H new ATOM 0 HD11 LEU A 70 -14.128 0.665 4.455 1.00 2.35 H new ATOM 0 HD12 LEU A 70 -14.705 0.141 2.855 1.00 2.35 H new ATOM 0 HD13 LEU A 70 -15.172 -0.769 4.312 1.00 2.35 H new ATOM 0 HD21 LEU A 70 -12.510 -0.648 5.693 1.00 2.22 H new ATOM 0 HD22 LEU A 70 -13.498 -2.119 5.532 1.00 2.22 H new ATOM 0 HD23 LEU A 70 -11.799 -2.127 5.004 1.00 2.22 H new ATOM 1108 N ALA A 71 -12.661 -0.196 0.106 1.00 0.69 N ATOM 1109 CA ALA A 71 -11.649 0.515 -0.676 1.00 0.69 C ATOM 1110 C ALA A 71 -10.646 1.267 0.228 1.00 0.94 C ATOM 1111 O ALA A 71 -10.866 1.427 1.433 1.00 1.85 O ATOM 1112 CB ALA A 71 -12.392 1.463 -1.626 1.00 0.86 C ATOM 0 H ALA A 71 -13.513 0.347 0.250 1.00 0.69 H new ATOM 0 HA ALA A 71 -11.047 -0.192 -1.247 1.00 0.69 H new ATOM 0 HB1 ALA A 71 -11.670 2.014 -2.229 1.00 0.86 H new ATOM 0 HB2 ALA A 71 -13.045 0.885 -2.280 1.00 0.86 H new ATOM 0 HB3 ALA A 71 -12.990 2.165 -1.045 1.00 0.86 H new ATOM 1118 N MET A 72 -9.579 1.799 -0.365 1.00 0.60 N ATOM 1119 CA MET A 72 -8.653 2.755 0.248 1.00 0.66 C ATOM 1120 C MET A 72 -8.661 4.062 -0.575 1.00 0.59 C ATOM 1121 O MET A 72 -8.570 3.999 -1.806 1.00 0.57 O ATOM 1122 CB MET A 72 -7.257 2.116 0.356 1.00 0.86 C ATOM 1123 CG MET A 72 -6.242 3.026 1.063 1.00 1.09 C ATOM 1124 SD MET A 72 -4.679 2.229 1.562 1.00 1.10 S ATOM 1125 CE MET A 72 -3.936 1.898 -0.057 1.00 1.02 C ATOM 0 H MET A 72 -9.324 1.568 -1.325 1.00 0.60 H new ATOM 0 HA MET A 72 -8.963 3.010 1.261 1.00 0.66 H new ATOM 0 HB2 MET A 72 -7.334 1.174 0.899 1.00 0.86 H new ATOM 0 HB3 MET A 72 -6.892 1.879 -0.643 1.00 0.86 H new ATOM 0 HG2 MET A 72 -6.008 3.861 0.402 1.00 1.09 H new ATOM 0 HG3 MET A 72 -6.715 3.445 1.951 1.00 1.09 H new ATOM 0 HE1 MET A 72 -3.761 0.828 -0.165 1.00 1.02 H new ATOM 0 HE2 MET A 72 -4.611 2.237 -0.843 1.00 1.02 H new ATOM 0 HE3 MET A 72 -2.988 2.430 -0.138 1.00 1.02 H new ATOM 1135 N PRO A 73 -8.777 5.246 0.056 1.00 0.73 N ATOM 1136 CA PRO A 73 -8.740 6.519 -0.659 1.00 0.85 C ATOM 1137 C PRO A 73 -7.311 6.894 -1.077 1.00 0.91 C ATOM 1138 O PRO A 73 -6.328 6.427 -0.502 1.00 0.91 O ATOM 1139 CB PRO A 73 -9.347 7.536 0.312 1.00 0.97 C ATOM 1140 CG PRO A 73 -8.939 6.990 1.679 1.00 0.97 C ATOM 1141 CD PRO A 73 -9.011 5.475 1.477 1.00 0.85 C ATOM 0 HA PRO A 73 -9.299 6.479 -1.594 1.00 0.85 H new ATOM 0 HB2 PRO A 73 -8.954 8.539 0.144 1.00 0.97 H new ATOM 0 HB3 PRO A 73 -10.430 7.597 0.208 1.00 0.97 H new ATOM 0 HG2 PRO A 73 -7.937 7.313 1.960 1.00 0.97 H new ATOM 0 HG3 PRO A 73 -9.615 7.325 2.466 1.00 0.97 H new ATOM 0 HD2 PRO A 73 -8.262 4.965 2.083 1.00 0.85 H new ATOM 0 HD3 PRO A 73 -9.984 5.087 1.779 1.00 0.85 H new ATOM 1149 N ASN A 74 -7.181 7.809 -2.041 1.00 1.05 N ATOM 1150 CA ASN A 74 -5.924 8.529 -2.258 1.00 1.16 C ATOM 1151 C ASN A 74 -5.610 9.398 -1.019 1.00 1.19 C ATOM 1152 O ASN A 74 -6.500 10.059 -0.474 1.00 2.03 O ATOM 1153 CB ASN A 74 -6.028 9.344 -3.563 1.00 1.29 C ATOM 1154 CG ASN A 74 -4.961 10.418 -3.671 1.00 1.46 C ATOM 1155 OD1 ASN A 74 -5.119 11.520 -3.175 1.00 2.29 O ATOM 1156 ND2 ASN A 74 -3.815 10.140 -4.233 1.00 1.67 N ATOM 0 H ASN A 74 -7.930 8.068 -2.683 1.00 1.05 H new ATOM 0 HA ASN A 74 -5.090 7.837 -2.378 1.00 1.16 H new ATOM 0 HB2 ASN A 74 -5.946 8.669 -4.415 1.00 1.29 H new ATOM 0 HB3 ASN A 74 -7.012 9.809 -3.618 1.00 1.29 H new ATOM 0 HD21 ASN A 74 -3.073 10.839 -4.251 1.00 1.67 H new ATOM 0 HD22 ASN A 74 -3.662 9.223 -4.654 1.00 1.67 H new ATOM 1163 N MET A 75 -4.345 9.427 -0.591 1.00 1.09 N ATOM 1164 CA MET A 75 -3.868 10.178 0.584 1.00 1.19 C ATOM 1165 C MET A 75 -2.904 11.315 0.187 1.00 1.24 C ATOM 1166 O MET A 75 -2.036 11.706 0.968 1.00 2.05 O ATOM 1167 CB MET A 75 -3.292 9.207 1.633 1.00 1.42 C ATOM 1168 CG MET A 75 -4.336 8.185 2.116 1.00 1.57 C ATOM 1169 SD MET A 75 -3.781 7.054 3.428 1.00 2.38 S ATOM 1170 CE MET A 75 -3.696 8.201 4.831 1.00 2.89 C ATOM 0 H MET A 75 -3.599 8.915 -1.063 1.00 1.09 H new ATOM 0 HA MET A 75 -4.713 10.682 1.052 1.00 1.19 H new ATOM 0 HB2 MET A 75 -2.439 8.679 1.207 1.00 1.42 H new ATOM 0 HB3 MET A 75 -2.921 9.775 2.486 1.00 1.42 H new ATOM 0 HG2 MET A 75 -5.210 8.728 2.475 1.00 1.57 H new ATOM 0 HG3 MET A 75 -4.659 7.591 1.261 1.00 1.57 H new ATOM 0 HE1 MET A 75 -3.633 7.635 5.760 1.00 2.89 H new ATOM 0 HE2 MET A 75 -2.814 8.834 4.731 1.00 2.89 H new ATOM 0 HE3 MET A 75 -4.590 8.824 4.846 1.00 2.89 H new ATOM 1180 N ARG A 76 -3.045 11.817 -1.052 1.00 1.47 N ATOM 1181 CA ARG A 76 -2.250 12.889 -1.689 1.00 1.63 C ATOM 1182 C ARG A 76 -0.726 12.691 -1.596 1.00 1.37 C ATOM 1183 O ARG A 76 0.036 13.650 -1.453 1.00 1.61 O ATOM 1184 CB ARG A 76 -2.730 14.288 -1.252 1.00 2.19 C ATOM 1185 CG ARG A 76 -4.216 14.526 -1.580 1.00 3.06 C ATOM 1186 CD ARG A 76 -4.598 16.014 -1.567 1.00 3.74 C ATOM 1187 NE ARG A 76 -4.409 16.635 -0.244 1.00 3.97 N ATOM 1188 CZ ARG A 76 -5.329 17.329 0.452 1.00 4.93 C ATOM 1189 NH1 ARG A 76 -6.588 17.490 0.016 1.00 5.51 N ATOM 1190 NH2 ARG A 76 -4.972 17.883 1.620 1.00 5.98 N ATOM 0 H ARG A 76 -3.766 11.462 -1.680 1.00 1.47 H new ATOM 0 HA ARG A 76 -2.445 12.815 -2.759 1.00 1.63 H new ATOM 0 HB2 ARG A 76 -2.574 14.404 -0.180 1.00 2.19 H new ATOM 0 HB3 ARG A 76 -2.125 15.048 -1.746 1.00 2.19 H new ATOM 0 HG2 ARG A 76 -4.438 14.107 -2.561 1.00 3.06 H new ATOM 0 HG3 ARG A 76 -4.833 13.991 -0.858 1.00 3.06 H new ATOM 0 HD2 ARG A 76 -3.996 16.546 -2.304 1.00 3.74 H new ATOM 0 HD3 ARG A 76 -5.640 16.121 -1.869 1.00 3.74 H new ATOM 0 HE ARG A 76 -3.491 16.529 0.187 1.00 3.97 H new ATOM 0 HH11 ARG A 76 -6.877 17.079 -0.872 1.00 5.51 H new ATOM 0 HH12 ARG A 76 -7.256 18.023 0.573 1.00 5.51 H new ATOM 0 HH21 ARG A 76 -4.018 17.775 1.966 1.00 5.98 H new ATOM 0 HH22 ARG A 76 -5.654 18.413 2.163 1.00 5.98 H new ATOM 1204 N LEU A 77 -0.274 11.436 -1.674 1.00 1.22 N ATOM 1205 CA LEU A 77 1.139 11.050 -1.581 1.00 1.26 C ATOM 1206 C LEU A 77 1.851 11.116 -2.948 1.00 1.65 C ATOM 1207 O LEU A 77 1.275 10.754 -3.981 1.00 1.87 O ATOM 1208 CB LEU A 77 1.258 9.634 -0.978 1.00 1.19 C ATOM 1209 CG LEU A 77 0.520 9.370 0.348 1.00 1.16 C ATOM 1210 CD1 LEU A 77 0.683 7.908 0.768 1.00 1.55 C ATOM 1211 CD2 LEU A 77 1.050 10.243 1.483 1.00 2.14 C ATOM 0 H LEU A 77 -0.896 10.639 -1.807 1.00 1.22 H new ATOM 0 HA LEU A 77 1.636 11.766 -0.926 1.00 1.26 H new ATOM 0 HB2 LEU A 77 0.892 8.920 -1.716 1.00 1.19 H new ATOM 0 HB3 LEU A 77 2.316 9.420 -0.825 1.00 1.19 H new ATOM 0 HG LEU A 77 -0.529 9.609 0.171 1.00 1.16 H new ATOM 0 HD11 LEU A 77 0.156 7.738 1.707 1.00 1.55 H new ATOM 0 HD12 LEU A 77 0.268 7.259 -0.004 1.00 1.55 H new ATOM 0 HD13 LEU A 77 1.741 7.683 0.901 1.00 1.55 H new ATOM 0 HD21 LEU A 77 0.501 10.023 2.398 1.00 2.14 H new ATOM 0 HD22 LEU A 77 2.109 10.036 1.637 1.00 2.14 H new ATOM 0 HD23 LEU A 77 0.919 11.294 1.225 1.00 2.14 H new ATOM 1223 N GLY A 78 3.121 11.521 -2.951 1.00 1.95 N ATOM 1224 CA GLY A 78 4.013 11.476 -4.117 1.00 2.42 C ATOM 1225 C GLY A 78 5.331 10.745 -3.848 1.00 1.66 C ATOM 1226 O GLY A 78 5.476 10.005 -2.871 1.00 1.26 O ATOM 0 H GLY A 78 3.574 11.901 -2.120 1.00 1.95 H new ATOM 0 HA2 GLY A 78 3.496 10.985 -4.942 1.00 2.42 H new ATOM 0 HA3 GLY A 78 4.230 12.495 -4.438 1.00 2.42 H new ATOM 1230 N ASP A 79 6.319 10.943 -4.716 1.00 1.62 N ATOM 1231 CA ASP A 79 7.661 10.390 -4.525 1.00 1.43 C ATOM 1232 C ASP A 79 8.352 10.983 -3.275 1.00 1.20 C ATOM 1233 O ASP A 79 8.041 12.097 -2.838 1.00 3.06 O ATOM 1234 CB ASP A 79 8.484 10.585 -5.808 1.00 1.86 C ATOM 1235 CG ASP A 79 9.804 9.811 -5.789 1.00 3.54 C ATOM 1236 OD1 ASP A 79 9.845 8.710 -5.190 1.00 4.62 O ATOM 1237 OD2 ASP A 79 10.801 10.313 -6.359 1.00 4.51 O ATOM 0 H ASP A 79 6.215 11.490 -5.571 1.00 1.62 H new ATOM 0 HA ASP A 79 7.582 9.319 -4.336 1.00 1.43 H new ATOM 0 HB2 ASP A 79 7.893 10.265 -6.666 1.00 1.86 H new ATOM 0 HB3 ASP A 79 8.692 11.646 -5.943 1.00 1.86 H new ATOM 1242 N ALA A 80 9.257 10.213 -2.667 1.00 1.68 N ATOM 1243 CA ALA A 80 9.810 10.382 -1.312 1.00 1.36 C ATOM 1244 C ALA A 80 8.795 10.312 -0.144 1.00 0.98 C ATOM 1245 O ALA A 80 9.206 10.314 1.017 1.00 1.59 O ATOM 1246 CB ALA A 80 10.740 11.601 -1.251 1.00 1.54 C ATOM 0 H ALA A 80 9.653 9.398 -3.136 1.00 1.68 H new ATOM 0 HA ALA A 80 10.408 9.488 -1.135 1.00 1.36 H new ATOM 0 HB1 ALA A 80 11.136 11.706 -0.241 1.00 1.54 H new ATOM 0 HB2 ALA A 80 11.564 11.466 -1.952 1.00 1.54 H new ATOM 0 HB3 ALA A 80 10.181 12.498 -1.517 1.00 1.54 H new ATOM 1252 N GLU A 81 7.493 10.165 -0.418 1.00 0.92 N ATOM 1253 CA GLU A 81 6.507 9.653 0.547 1.00 1.02 C ATOM 1254 C GLU A 81 6.233 8.166 0.266 1.00 0.89 C ATOM 1255 O GLU A 81 6.509 7.306 1.102 1.00 0.85 O ATOM 1256 CB GLU A 81 5.211 10.485 0.520 1.00 1.36 C ATOM 1257 CG GLU A 81 5.397 11.942 0.972 1.00 1.49 C ATOM 1258 CD GLU A 81 4.213 12.812 0.532 1.00 2.24 C ATOM 1259 OE1 GLU A 81 4.105 13.084 -0.689 1.00 3.46 O ATOM 1260 OE2 GLU A 81 3.398 13.243 1.387 1.00 2.54 O ATOM 0 H GLU A 81 7.088 10.400 -1.324 1.00 0.92 H new ATOM 0 HA GLU A 81 6.918 9.746 1.552 1.00 1.02 H new ATOM 0 HB2 GLU A 81 4.807 10.478 -0.492 1.00 1.36 H new ATOM 0 HB3 GLU A 81 4.471 10.007 1.162 1.00 1.36 H new ATOM 0 HG2 GLU A 81 5.497 11.980 2.057 1.00 1.49 H new ATOM 0 HG3 GLU A 81 6.321 12.341 0.553 1.00 1.49 H new ATOM 1267 N VAL A 82 5.744 7.837 -0.938 1.00 0.91 N ATOM 1268 CA VAL A 82 5.364 6.460 -1.304 1.00 0.99 C ATOM 1269 C VAL A 82 6.574 5.542 -1.478 1.00 1.14 C ATOM 1270 O VAL A 82 6.578 4.437 -0.941 1.00 1.17 O ATOM 1271 CB VAL A 82 4.475 6.420 -2.561 1.00 1.20 C ATOM 1272 CG1 VAL A 82 3.954 4.997 -2.787 1.00 1.59 C ATOM 1273 CG2 VAL A 82 3.241 7.310 -2.399 1.00 1.01 C ATOM 0 H VAL A 82 5.600 8.515 -1.686 1.00 0.91 H new ATOM 0 HA VAL A 82 4.782 6.081 -0.464 1.00 0.99 H new ATOM 0 HB VAL A 82 5.087 6.765 -3.394 1.00 1.20 H new ATOM 0 HG11 VAL A 82 3.326 4.977 -3.678 1.00 1.59 H new ATOM 0 HG12 VAL A 82 4.796 4.318 -2.921 1.00 1.59 H new ATOM 0 HG13 VAL A 82 3.369 4.682 -1.923 1.00 1.59 H new ATOM 0 HG21 VAL A 82 2.635 7.259 -3.303 1.00 1.01 H new ATOM 0 HG22 VAL A 82 2.653 6.966 -1.548 1.00 1.01 H new ATOM 0 HG23 VAL A 82 3.555 8.340 -2.230 1.00 1.01 H new ATOM 1283 N SER A 83 7.623 5.990 -2.173 1.00 1.28 N ATOM 1284 CA SER A 83 8.853 5.201 -2.351 1.00 1.44 C ATOM 1285 C SER A 83 9.566 4.926 -1.021 1.00 1.26 C ATOM 1286 O SER A 83 10.116 3.841 -0.830 1.00 1.25 O ATOM 1287 CB SER A 83 9.789 5.902 -3.341 1.00 1.73 C ATOM 1288 OG SER A 83 9.983 7.266 -3.002 1.00 1.92 O ATOM 0 H SER A 83 7.648 6.903 -2.627 1.00 1.28 H new ATOM 0 HA SER A 83 8.567 4.231 -2.758 1.00 1.44 H new ATOM 0 HB2 SER A 83 10.751 5.390 -3.357 1.00 1.73 H new ATOM 0 HB3 SER A 83 9.374 5.832 -4.346 1.00 1.73 H new ATOM 0 HG SER A 83 10.298 7.757 -3.789 1.00 1.92 H new ATOM 1294 N ALA A 84 9.465 5.860 -0.067 1.00 1.18 N ATOM 1295 CA ALA A 84 9.968 5.709 1.294 1.00 1.03 C ATOM 1296 C ALA A 84 9.141 4.692 2.103 1.00 0.81 C ATOM 1297 O ALA A 84 9.711 3.827 2.765 1.00 0.77 O ATOM 1298 CB ALA A 84 9.989 7.097 1.947 1.00 1.11 C ATOM 0 H ALA A 84 9.019 6.763 -0.230 1.00 1.18 H new ATOM 0 HA ALA A 84 10.980 5.303 1.273 1.00 1.03 H new ATOM 0 HB1 ALA A 84 10.362 7.013 2.968 1.00 1.11 H new ATOM 0 HB2 ALA A 84 10.641 7.758 1.376 1.00 1.11 H new ATOM 0 HB3 ALA A 84 8.979 7.507 1.962 1.00 1.11 H new ATOM 1304 N LEU A 85 7.805 4.731 2.008 1.00 0.75 N ATOM 1305 CA LEU A 85 6.912 3.721 2.598 1.00 0.71 C ATOM 1306 C LEU A 85 7.131 2.316 2.008 1.00 0.80 C ATOM 1307 O LEU A 85 7.086 1.332 2.745 1.00 0.81 O ATOM 1308 CB LEU A 85 5.453 4.163 2.387 1.00 0.82 C ATOM 1309 CG LEU A 85 4.972 5.245 3.370 1.00 1.00 C ATOM 1310 CD1 LEU A 85 3.681 5.864 2.829 1.00 2.39 C ATOM 1311 CD2 LEU A 85 4.697 4.648 4.754 1.00 1.57 C ATOM 0 H LEU A 85 7.307 5.472 1.514 1.00 0.75 H new ATOM 0 HA LEU A 85 7.142 3.651 3.661 1.00 0.71 H new ATOM 0 HB2 LEU A 85 5.342 4.538 1.369 1.00 0.82 H new ATOM 0 HB3 LEU A 85 4.805 3.292 2.478 1.00 0.82 H new ATOM 0 HG LEU A 85 5.752 6.000 3.468 1.00 1.00 H new ATOM 0 HD11 LEU A 85 3.330 6.633 3.517 1.00 2.39 H new ATOM 0 HD12 LEU A 85 3.873 6.311 1.853 1.00 2.39 H new ATOM 0 HD13 LEU A 85 2.920 5.090 2.731 1.00 2.39 H new ATOM 0 HD21 LEU A 85 4.359 5.434 5.429 1.00 1.57 H new ATOM 0 HD22 LEU A 85 3.925 3.882 4.673 1.00 1.57 H new ATOM 0 HD23 LEU A 85 5.611 4.202 5.146 1.00 1.57 H new ATOM 1323 N ILE A 86 7.414 2.214 0.706 1.00 0.97 N ATOM 1324 CA ILE A 86 7.706 0.934 0.043 1.00 1.19 C ATOM 1325 C ILE A 86 9.070 0.394 0.496 1.00 1.12 C ATOM 1326 O ILE A 86 9.181 -0.801 0.772 1.00 1.20 O ATOM 1327 CB ILE A 86 7.455 0.984 -1.482 1.00 1.70 C ATOM 1328 CG1 ILE A 86 6.067 0.351 -1.768 1.00 2.30 C ATOM 1329 CG2 ILE A 86 8.505 0.226 -2.309 1.00 1.71 C ATOM 1330 CD1 ILE A 86 4.891 1.196 -1.270 1.00 1.79 C ATOM 0 H ILE A 86 7.448 3.017 0.078 1.00 0.97 H new ATOM 0 HA ILE A 86 6.987 0.183 0.371 1.00 1.19 H new ATOM 0 HB ILE A 86 7.510 2.032 -1.778 1.00 1.70 H new ATOM 0 HG12 ILE A 86 5.963 0.196 -2.842 1.00 2.30 H new ATOM 0 HG13 ILE A 86 6.022 -0.631 -1.298 1.00 2.30 H new ATOM 0 HG21 ILE A 86 8.261 0.307 -3.368 1.00 1.71 H new ATOM 0 HG22 ILE A 86 9.490 0.657 -2.129 1.00 1.71 H new ATOM 0 HG23 ILE A 86 8.510 -0.824 -2.017 1.00 1.71 H new ATOM 0 HD11 ILE A 86 3.954 0.690 -1.505 1.00 1.79 H new ATOM 0 HD12 ILE A 86 4.970 1.330 -0.191 1.00 1.79 H new ATOM 0 HD13 ILE A 86 4.910 2.170 -1.759 1.00 1.79 H new ATOM 1342 N SER A 87 10.066 1.266 0.691 1.00 1.04 N ATOM 1343 CA SER A 87 11.337 0.908 1.341 1.00 1.03 C ATOM 1344 C SER A 87 11.168 0.507 2.814 1.00 0.85 C ATOM 1345 O SER A 87 11.885 -0.388 3.258 1.00 0.91 O ATOM 1346 CB SER A 87 12.357 2.046 1.214 1.00 1.12 C ATOM 1347 OG SER A 87 12.722 2.238 -0.143 1.00 1.98 O ATOM 0 H SER A 87 10.015 2.243 0.403 1.00 1.04 H new ATOM 0 HA SER A 87 11.711 0.030 0.814 1.00 1.03 H new ATOM 0 HB2 SER A 87 11.935 2.967 1.617 1.00 1.12 H new ATOM 0 HB3 SER A 87 13.243 1.816 1.806 1.00 1.12 H new ATOM 0 HG SER A 87 12.021 2.746 -0.602 1.00 1.98 H new ATOM 1353 N TYR A 88 10.212 1.073 3.570 1.00 0.72 N ATOM 1354 CA TYR A 88 9.959 0.605 4.947 1.00 0.65 C ATOM 1355 C TYR A 88 9.383 -0.820 4.990 1.00 0.71 C ATOM 1356 O TYR A 88 9.887 -1.666 5.727 1.00 0.77 O ATOM 1357 CB TYR A 88 9.071 1.604 5.703 1.00 0.67 C ATOM 1358 CG TYR A 88 8.721 1.202 7.128 1.00 0.75 C ATOM 1359 CD1 TYR A 88 9.743 1.096 8.090 1.00 2.41 C ATOM 1360 CD2 TYR A 88 7.385 0.937 7.498 1.00 1.58 C ATOM 1361 CE1 TYR A 88 9.436 0.725 9.412 1.00 2.73 C ATOM 1362 CE2 TYR A 88 7.074 0.553 8.820 1.00 1.40 C ATOM 1363 CZ TYR A 88 8.105 0.445 9.778 1.00 1.30 C ATOM 1364 OH TYR A 88 7.834 0.090 11.062 1.00 1.67 O ATOM 0 H TYR A 88 9.613 1.839 3.262 1.00 0.72 H new ATOM 0 HA TYR A 88 10.922 0.555 5.455 1.00 0.65 H new ATOM 0 HB2 TYR A 88 9.576 2.570 5.727 1.00 0.67 H new ATOM 0 HB3 TYR A 88 8.146 1.742 5.143 1.00 0.67 H new ATOM 0 HD1 TYR A 88 10.767 1.300 7.812 1.00 2.41 H new ATOM 0 HD2 TYR A 88 6.597 1.029 6.766 1.00 1.58 H new ATOM 0 HE1 TYR A 88 10.223 0.655 10.148 1.00 2.73 H new ATOM 0 HE2 TYR A 88 6.052 0.343 9.097 1.00 1.40 H new ATOM 0 HH TYR A 88 6.872 -0.070 11.161 1.00 1.67 H new ATOM 1374 N LEU A 89 8.383 -1.126 4.153 1.00 0.83 N ATOM 1375 CA LEU A 89 7.820 -2.484 4.039 1.00 0.96 C ATOM 1376 C LEU A 89 8.849 -3.498 3.501 1.00 0.97 C ATOM 1377 O LEU A 89 8.839 -4.664 3.908 1.00 1.18 O ATOM 1378 CB LEU A 89 6.556 -2.438 3.155 1.00 1.12 C ATOM 1379 CG LEU A 89 5.237 -2.227 3.923 1.00 1.39 C ATOM 1380 CD1 LEU A 89 5.208 -0.964 4.788 1.00 2.05 C ATOM 1381 CD2 LEU A 89 4.080 -2.135 2.924 1.00 1.49 C ATOM 0 H LEU A 89 7.941 -0.444 3.537 1.00 0.83 H new ATOM 0 HA LEU A 89 7.548 -2.830 5.036 1.00 0.96 H new ATOM 0 HB2 LEU A 89 6.668 -1.635 2.427 1.00 1.12 H new ATOM 0 HB3 LEU A 89 6.488 -3.370 2.594 1.00 1.12 H new ATOM 0 HG LEU A 89 5.144 -3.082 4.593 1.00 1.39 H new ATOM 0 HD11 LEU A 89 4.245 -0.891 5.294 1.00 2.05 H new ATOM 0 HD12 LEU A 89 6.005 -1.013 5.530 1.00 2.05 H new ATOM 0 HD13 LEU A 89 5.353 -0.087 4.157 1.00 2.05 H new ATOM 0 HD21 LEU A 89 3.145 -1.986 3.463 1.00 1.49 H new ATOM 0 HD22 LEU A 89 4.248 -1.296 2.249 1.00 1.49 H new ATOM 0 HD23 LEU A 89 4.023 -3.058 2.347 1.00 1.49 H new ATOM 1393 N GLU A 90 9.757 -3.062 2.623 1.00 0.85 N ATOM 1394 CA GLU A 90 10.854 -3.877 2.092 1.00 0.85 C ATOM 1395 C GLU A 90 11.913 -4.185 3.167 1.00 0.79 C ATOM 1396 O GLU A 90 12.286 -5.351 3.338 1.00 0.88 O ATOM 1397 CB GLU A 90 11.419 -3.173 0.840 1.00 1.05 C ATOM 1398 CG GLU A 90 12.424 -3.999 0.027 1.00 1.07 C ATOM 1399 CD GLU A 90 12.708 -3.343 -1.333 1.00 1.67 C ATOM 1400 OE1 GLU A 90 13.409 -2.303 -1.374 1.00 2.58 O ATOM 1401 OE2 GLU A 90 12.227 -3.834 -2.384 1.00 2.73 O ATOM 0 H GLU A 90 9.750 -2.111 2.253 1.00 0.85 H new ATOM 0 HA GLU A 90 10.485 -4.858 1.791 1.00 0.85 H new ATOM 0 HB2 GLU A 90 10.588 -2.899 0.190 1.00 1.05 H new ATOM 0 HB3 GLU A 90 11.901 -2.246 1.150 1.00 1.05 H new ATOM 0 HG2 GLU A 90 13.354 -4.100 0.587 1.00 1.07 H new ATOM 0 HG3 GLU A 90 12.033 -5.005 -0.126 1.00 1.07 H new ATOM 1408 N GLU A 91 12.362 -3.194 3.947 1.00 0.74 N ATOM 1409 CA GLU A 91 13.403 -3.405 4.965 1.00 0.83 C ATOM 1410 C GLU A 91 12.893 -4.090 6.250 1.00 0.90 C ATOM 1411 O GLU A 91 13.604 -4.930 6.808 1.00 1.03 O ATOM 1412 CB GLU A 91 14.225 -2.124 5.194 1.00 1.01 C ATOM 1413 CG GLU A 91 13.720 -1.151 6.269 1.00 2.43 C ATOM 1414 CD GLU A 91 14.554 -1.260 7.552 1.00 3.59 C ATOM 1415 OE1 GLU A 91 15.689 -0.725 7.610 1.00 3.78 O ATOM 1416 OE2 GLU A 91 14.117 -1.906 8.530 1.00 4.92 O ATOM 0 H GLU A 91 12.020 -2.234 3.893 1.00 0.74 H new ATOM 0 HA GLU A 91 14.100 -4.141 4.564 1.00 0.83 H new ATOM 0 HB2 GLU A 91 15.242 -2.417 5.454 1.00 1.01 H new ATOM 0 HB3 GLU A 91 14.281 -1.584 4.249 1.00 1.01 H new ATOM 0 HG2 GLU A 91 13.764 -0.130 5.889 1.00 2.43 H new ATOM 0 HG3 GLU A 91 12.674 -1.363 6.493 1.00 2.43 H new ATOM 1423 N GLU A 92 11.645 -3.847 6.674 1.00 0.93 N ATOM 1424 CA GLU A 92 11.015 -4.598 7.772 1.00 1.13 C ATOM 1425 C GLU A 92 10.836 -6.079 7.408 1.00 1.21 C ATOM 1426 O GLU A 92 11.066 -6.950 8.252 1.00 1.38 O ATOM 1427 CB GLU A 92 9.641 -4.001 8.133 1.00 1.28 C ATOM 1428 CG GLU A 92 9.705 -2.738 9.005 1.00 2.24 C ATOM 1429 CD GLU A 92 10.116 -3.033 10.454 1.00 2.43 C ATOM 1430 OE1 GLU A 92 9.372 -3.735 11.187 1.00 2.81 O ATOM 1431 OE2 GLU A 92 11.187 -2.555 10.904 1.00 3.26 O ATOM 0 H GLU A 92 11.045 -3.128 6.269 1.00 0.93 H new ATOM 0 HA GLU A 92 11.681 -4.521 8.631 1.00 1.13 H new ATOM 0 HB2 GLU A 92 9.108 -3.765 7.212 1.00 1.28 H new ATOM 0 HB3 GLU A 92 9.056 -4.758 8.655 1.00 1.28 H new ATOM 0 HG2 GLU A 92 10.415 -2.036 8.567 1.00 2.24 H new ATOM 0 HG3 GLU A 92 8.730 -2.250 9.001 1.00 2.24 H new ATOM 1438 N THR A 93 10.486 -6.385 6.152 1.00 1.17 N ATOM 1439 CA THR A 93 10.389 -7.770 5.656 1.00 1.30 C ATOM 1440 C THR A 93 11.769 -8.439 5.587 1.00 1.26 C ATOM 1441 O THR A 93 11.898 -9.607 5.947 1.00 1.44 O ATOM 1442 CB THR A 93 9.697 -7.816 4.285 1.00 1.41 C ATOM 1443 OG1 THR A 93 8.391 -7.279 4.363 1.00 2.12 O ATOM 1444 CG2 THR A 93 9.550 -9.233 3.738 1.00 1.51 C ATOM 0 H THR A 93 10.261 -5.681 5.448 1.00 1.17 H new ATOM 0 HA THR A 93 9.781 -8.330 6.366 1.00 1.30 H new ATOM 0 HB THR A 93 10.337 -7.233 3.623 1.00 1.41 H new ATOM 0 HG1 THR A 93 8.438 -6.300 4.340 1.00 2.12 H new ATOM 0 HG21 THR A 93 9.054 -9.199 2.768 1.00 1.51 H new ATOM 0 HG22 THR A 93 10.536 -9.684 3.626 1.00 1.51 H new ATOM 0 HG23 THR A 93 8.955 -9.830 4.429 1.00 1.51 H new ATOM 1452 N ALA A 94 12.823 -7.705 5.212 1.00 1.16 N ATOM 1453 CA ALA A 94 14.200 -8.212 5.259 1.00 1.29 C ATOM 1454 C ALA A 94 14.702 -8.490 6.696 1.00 1.43 C ATOM 1455 O ALA A 94 15.607 -9.310 6.886 1.00 1.68 O ATOM 1456 CB ALA A 94 15.109 -7.217 4.525 1.00 1.28 C ATOM 0 H ALA A 94 12.747 -6.747 4.869 1.00 1.16 H new ATOM 0 HA ALA A 94 14.225 -9.181 4.761 1.00 1.29 H new ATOM 0 HB1 ALA A 94 16.137 -7.577 4.550 1.00 1.28 H new ATOM 0 HB2 ALA A 94 14.783 -7.122 3.489 1.00 1.28 H new ATOM 0 HB3 ALA A 94 15.054 -6.244 5.014 1.00 1.28 H new ATOM 1462 N ARG A 95 14.119 -7.835 7.714 1.00 1.41 N ATOM 1463 CA ARG A 95 14.446 -8.046 9.139 1.00 1.69 C ATOM 1464 C ARG A 95 13.599 -9.102 9.846 1.00 1.97 C ATOM 1465 O ARG A 95 14.109 -9.733 10.767 1.00 2.44 O ATOM 1466 CB ARG A 95 14.408 -6.689 9.869 1.00 1.79 C ATOM 1467 CG ARG A 95 15.416 -6.587 11.028 1.00 2.56 C ATOM 1468 CD ARG A 95 16.869 -6.542 10.526 1.00 3.41 C ATOM 1469 NE ARG A 95 17.823 -6.330 11.625 1.00 4.13 N ATOM 1470 CZ ARG A 95 18.379 -5.156 11.984 1.00 4.63 C ATOM 1471 NH1 ARG A 95 18.068 -4.002 11.373 1.00 4.58 N ATOM 1472 NH2 ARG A 95 19.274 -5.146 12.981 1.00 5.82 N ATOM 0 H ARG A 95 13.395 -7.132 7.570 1.00 1.41 H new ATOM 0 HA ARG A 95 15.452 -8.463 9.174 1.00 1.69 H new ATOM 0 HB2 ARG A 95 14.610 -5.894 9.151 1.00 1.79 H new ATOM 0 HB3 ARG A 95 13.403 -6.522 10.256 1.00 1.79 H new ATOM 0 HG2 ARG A 95 15.207 -5.691 11.613 1.00 2.56 H new ATOM 0 HG3 ARG A 95 15.289 -7.440 11.695 1.00 2.56 H new ATOM 0 HD2 ARG A 95 17.106 -7.475 10.015 1.00 3.41 H new ATOM 0 HD3 ARG A 95 16.975 -5.742 9.794 1.00 3.41 H new ATOM 0 HE ARG A 95 18.090 -7.151 12.168 1.00 4.13 H new ATOM 0 HH11 ARG A 95 17.391 -3.995 10.610 1.00 4.58 H new ATOM 0 HH12 ARG A 95 18.509 -3.132 11.671 1.00 4.58 H new ATOM 0 HH21 ARG A 95 19.522 -6.016 13.452 1.00 5.82 H new ATOM 0 HH22 ARG A 95 19.707 -4.268 13.269 1.00 5.82 H new ATOM 1486 N LEU A 96 12.348 -9.300 9.420 1.00 1.89 N ATOM 1487 CA LEU A 96 11.441 -10.386 9.836 1.00 2.33 C ATOM 1488 C LEU A 96 11.408 -10.628 11.371 1.00 2.55 C ATOM 1489 O LEU A 96 11.353 -11.769 11.834 1.00 3.22 O ATOM 1490 CB LEU A 96 11.755 -11.641 8.977 1.00 3.39 C ATOM 1491 CG LEU A 96 10.627 -12.558 8.492 1.00 4.46 C ATOM 1492 CD1 LEU A 96 9.612 -12.869 9.567 1.00 4.29 C ATOM 1493 CD2 LEU A 96 9.917 -11.916 7.315 1.00 5.13 C ATOM 0 H LEU A 96 11.913 -8.677 8.740 1.00 1.89 H new ATOM 0 HA LEU A 96 10.410 -10.091 9.639 1.00 2.33 H new ATOM 0 HB2 LEU A 96 12.293 -11.298 8.093 1.00 3.39 H new ATOM 0 HB3 LEU A 96 12.446 -12.258 9.551 1.00 3.39 H new ATOM 0 HG LEU A 96 11.093 -13.499 8.201 1.00 4.46 H new ATOM 0 HD11 LEU A 96 8.840 -13.522 9.160 1.00 4.29 H new ATOM 0 HD12 LEU A 96 10.106 -13.367 10.401 1.00 4.29 H new ATOM 0 HD13 LEU A 96 9.156 -11.942 9.916 1.00 4.29 H new ATOM 0 HD21 LEU A 96 9.116 -12.571 6.972 1.00 5.13 H new ATOM 0 HD22 LEU A 96 9.497 -10.958 7.622 1.00 5.13 H new ATOM 0 HD23 LEU A 96 10.628 -11.757 6.504 1.00 5.13 H new ATOM 1505 N GLN A 97 11.491 -9.558 12.173 1.00 3.28 N ATOM 1506 CA GLN A 97 11.561 -9.617 13.646 1.00 4.56 C ATOM 1507 C GLN A 97 10.388 -8.912 14.354 1.00 5.50 C ATOM 1508 O GLN A 97 9.700 -8.081 13.755 1.00 6.69 O ATOM 1509 CB GLN A 97 12.915 -9.063 14.131 1.00 5.50 C ATOM 1510 CG GLN A 97 13.076 -7.549 13.909 1.00 6.64 C ATOM 1511 CD GLN A 97 14.335 -6.981 14.552 1.00 7.87 C ATOM 1512 OE1 GLN A 97 15.322 -7.669 14.804 1.00 8.03 O ATOM 1513 NE2 GLN A 97 14.344 -5.708 14.861 1.00 9.20 N ATOM 0 H GLN A 97 11.512 -8.604 11.811 1.00 3.28 H new ATOM 0 HA GLN A 97 11.475 -10.668 13.921 1.00 4.56 H new ATOM 0 HB2 GLN A 97 13.027 -9.280 15.193 1.00 5.50 H new ATOM 0 HB3 GLN A 97 13.719 -9.585 13.612 1.00 5.50 H new ATOM 0 HG2 GLN A 97 13.098 -7.345 12.838 1.00 6.64 H new ATOM 0 HG3 GLN A 97 12.205 -7.034 14.313 1.00 6.64 H new ATOM 0 HE21 GLN A 97 13.530 -5.128 14.656 1.00 9.20 H new ATOM 0 HE22 GLN A 97 15.165 -5.297 15.306 1.00 9.20 H new ATOM 1522 N THR A 98 10.212 -9.191 15.651 1.00 5.73 N ATOM 1523 CA THR A 98 9.299 -8.462 16.561 1.00 6.87 C ATOM 1524 C THR A 98 7.840 -8.424 16.067 1.00 7.32 C ATOM 1525 O THR A 98 7.319 -7.348 15.751 1.00 7.75 O ATOM 1526 CB THR A 98 9.894 -7.085 16.917 1.00 7.39 C ATOM 1527 OG1 THR A 98 11.229 -7.268 17.346 1.00 7.39 O ATOM 1528 CG2 THR A 98 9.180 -6.384 18.074 1.00 8.74 C ATOM 0 H THR A 98 10.711 -9.949 16.116 1.00 5.73 H new ATOM 0 HA THR A 98 9.226 -9.024 17.492 1.00 6.87 H new ATOM 0 HB THR A 98 9.795 -6.474 16.020 1.00 7.39 H new ATOM 0 HG1 THR A 98 11.621 -6.399 17.574 1.00 7.39 H new ATOM 0 HG21 THR A 98 9.655 -5.422 18.266 1.00 8.74 H new ATOM 0 HG22 THR A 98 8.133 -6.226 17.814 1.00 8.74 H new ATOM 0 HG23 THR A 98 9.242 -7.004 18.969 1.00 8.74 H new ATOM 1536 N PRO A 99 7.150 -9.583 16.004 1.00 7.67 N ATOM 1537 CA PRO A 99 5.719 -9.676 15.707 1.00 8.63 C ATOM 1538 C PRO A 99 4.893 -9.272 16.945 1.00 9.76 C ATOM 1539 O PRO A 99 4.276 -10.107 17.615 1.00 10.66 O ATOM 1540 CB PRO A 99 5.516 -11.126 15.251 1.00 8.94 C ATOM 1541 CG PRO A 99 6.526 -11.904 16.090 1.00 8.67 C ATOM 1542 CD PRO A 99 7.691 -10.924 16.231 1.00 7.64 C ATOM 0 HA PRO A 99 5.379 -8.994 14.928 1.00 8.63 H new ATOM 0 HB2 PRO A 99 4.496 -11.465 15.433 1.00 8.94 H new ATOM 0 HB3 PRO A 99 5.705 -11.242 14.184 1.00 8.94 H new ATOM 0 HG2 PRO A 99 6.114 -12.182 17.060 1.00 8.67 H new ATOM 0 HG3 PRO A 99 6.833 -12.827 15.597 1.00 8.67 H new ATOM 0 HD2 PRO A 99 8.139 -10.997 17.222 1.00 7.64 H new ATOM 0 HD3 PRO A 99 8.476 -11.151 15.509 1.00 7.64 H new ATOM 1550 N VAL A 100 4.957 -7.979 17.274 1.00 9.92 N ATOM 1551 CA VAL A 100 4.437 -7.324 18.490 1.00 11.04 C ATOM 1552 C VAL A 100 3.766 -6.000 18.092 1.00 11.80 C ATOM 1553 O VAL A 100 4.264 -5.306 17.193 1.00 11.88 O ATOM 1554 CB VAL A 100 5.595 -7.087 19.490 1.00 11.00 C ATOM 1555 CG1 VAL A 100 5.168 -6.278 20.722 1.00 11.91 C ATOM 1556 CG2 VAL A 100 6.187 -8.404 20.008 1.00 11.14 C ATOM 0 H VAL A 100 5.407 -7.306 16.653 1.00 9.92 H new ATOM 0 HA VAL A 100 3.698 -7.960 18.977 1.00 11.04 H new ATOM 0 HB VAL A 100 6.335 -6.527 18.918 1.00 11.00 H new ATOM 0 HG11 VAL A 100 6.023 -6.146 21.385 1.00 11.91 H new ATOM 0 HG12 VAL A 100 4.799 -5.302 20.406 1.00 11.91 H new ATOM 0 HG13 VAL A 100 4.378 -6.811 21.251 1.00 11.91 H new ATOM 0 HG21 VAL A 100 6.996 -8.190 20.706 1.00 11.14 H new ATOM 0 HG22 VAL A 100 5.411 -8.977 20.516 1.00 11.14 H new ATOM 0 HG23 VAL A 100 6.575 -8.983 19.170 1.00 11.14 H new ATOM 1566 N THR A 101 2.648 -5.621 18.729 1.00 12.60 N ATOM 1567 CA THR A 101 1.919 -4.384 18.388 1.00 13.48 C ATOM 1568 C THR A 101 2.772 -3.130 18.622 1.00 13.61 C ATOM 1569 O THR A 101 3.627 -3.086 19.511 1.00 13.85 O ATOM 1570 CB THR A 101 0.552 -4.304 19.093 1.00 14.45 C ATOM 1571 OG1 THR A 101 -0.286 -3.396 18.405 1.00 14.99 O ATOM 1572 CG2 THR A 101 0.608 -3.859 20.553 1.00 15.15 C ATOM 0 H THR A 101 2.225 -6.155 19.488 1.00 12.60 H new ATOM 0 HA THR A 101 1.713 -4.423 17.318 1.00 13.48 H new ATOM 0 HB THR A 101 0.168 -5.324 19.079 1.00 14.45 H new ATOM 0 HG1 THR A 101 -1.223 -3.595 18.611 1.00 14.99 H new ATOM 0 HG21 THR A 101 -0.401 -3.833 20.964 1.00 15.15 H new ATOM 0 HG22 THR A 101 1.215 -4.561 21.124 1.00 15.15 H new ATOM 0 HG23 THR A 101 1.050 -2.865 20.614 1.00 15.15 H new ATOM 1580 N ASN A 102 2.590 -2.103 17.792 1.00 13.76 N ATOM 1581 CA ASN A 102 3.551 -1.008 17.700 1.00 14.02 C ATOM 1582 C ASN A 102 3.443 0.023 18.845 1.00 14.52 C ATOM 1583 O ASN A 102 4.407 0.743 19.108 1.00 14.59 O ATOM 1584 CB ASN A 102 3.401 -0.371 16.306 1.00 14.68 C ATOM 1585 CG ASN A 102 4.594 0.477 15.910 1.00 14.86 C ATOM 1586 OD1 ASN A 102 5.729 0.239 16.303 1.00 14.69 O ATOM 1587 ND2 ASN A 102 4.386 1.469 15.077 1.00 15.57 N ATOM 0 H ASN A 102 1.784 -2.008 17.174 1.00 13.76 H new ATOM 0 HA ASN A 102 4.556 -1.411 17.823 1.00 14.02 H new ATOM 0 HB2 ASN A 102 3.261 -1.159 15.566 1.00 14.68 H new ATOM 0 HB3 ASN A 102 2.502 0.246 16.289 1.00 14.68 H new ATOM 0 HD21 ASN A 102 5.169 2.040 14.758 1.00 15.57 H new ATOM 0 HD22 ASN A 102 3.441 1.669 14.748 1.00 15.57 H new ATOM 1594 N ARG A 103 2.279 0.121 19.513 1.00 15.15 N ATOM 1595 CA ARG A 103 1.925 1.142 20.527 1.00 15.98 C ATOM 1596 C ARG A 103 2.211 2.595 20.087 1.00 16.38 C ATOM 1597 O ARG A 103 2.434 3.483 20.915 1.00 17.03 O ATOM 1598 CB ARG A 103 2.546 0.792 21.897 1.00 16.30 C ATOM 1599 CG ARG A 103 2.105 -0.580 22.428 1.00 16.26 C ATOM 1600 CD ARG A 103 2.651 -0.808 23.840 1.00 16.87 C ATOM 1601 NE ARG A 103 2.180 -2.083 24.398 1.00 17.06 N ATOM 1602 CZ ARG A 103 2.515 -2.571 25.608 1.00 17.78 C ATOM 1603 NH1 ARG A 103 3.356 -1.919 26.424 1.00 18.39 N ATOM 1604 NH2 ARG A 103 1.994 -3.740 26.007 1.00 18.21 N ATOM 0 H ARG A 103 1.519 -0.541 19.355 1.00 15.15 H new ATOM 0 HA ARG A 103 0.841 1.109 20.635 1.00 15.98 H new ATOM 0 HB2 ARG A 103 3.632 0.809 21.811 1.00 16.30 H new ATOM 0 HB3 ARG A 103 2.271 1.560 22.620 1.00 16.30 H new ATOM 0 HG2 ARG A 103 1.017 -0.640 22.438 1.00 16.26 H new ATOM 0 HG3 ARG A 103 2.461 -1.366 21.762 1.00 16.26 H new ATOM 0 HD2 ARG A 103 3.741 -0.800 23.816 1.00 16.87 H new ATOM 0 HD3 ARG A 103 2.341 0.011 24.488 1.00 16.87 H new ATOM 0 HE ARG A 103 1.550 -2.643 23.824 1.00 17.06 H new ATOM 0 HH11 ARG A 103 3.760 -1.029 26.134 1.00 18.39 H new ATOM 0 HH12 ARG A 103 3.591 -2.313 27.335 1.00 18.39 H new ATOM 0 HH21 ARG A 103 1.353 -4.247 25.397 1.00 18.21 H new ATOM 0 HH22 ARG A 103 2.239 -4.122 26.921 1.00 18.21 H new ATOM 1618 N GLY A 104 2.199 2.837 18.773 1.00 16.26 N ATOM 1619 CA GLY A 104 2.589 4.080 18.092 1.00 16.85 C ATOM 1620 C GLY A 104 1.455 4.796 17.347 1.00 17.21 C ATOM 1621 O GLY A 104 1.686 5.859 16.774 1.00 17.96 O ATOM 0 H GLY A 104 1.897 2.123 18.110 1.00 16.26 H new ATOM 0 HA2 GLY A 104 3.007 4.765 18.830 1.00 16.85 H new ATOM 0 HA3 GLY A 104 3.384 3.853 17.381 1.00 16.85 H new ATOM 1625 N ILE A 105 0.241 4.238 17.359 1.00 16.94 N ATOM 1626 CA ILE A 105 -0.985 4.841 16.813 1.00 17.48 C ATOM 1627 C ILE A 105 -1.209 6.289 17.325 1.00 18.55 C ATOM 1628 O ILE A 105 -0.884 6.574 18.486 1.00 18.61 O ATOM 1629 CB ILE A 105 -2.185 3.911 17.131 1.00 16.99 C ATOM 1630 CG1 ILE A 105 -3.444 4.313 16.336 1.00 17.46 C ATOM 1631 CG2 ILE A 105 -2.469 3.816 18.647 1.00 16.85 C ATOM 1632 CD1 ILE A 105 -4.634 3.358 16.503 1.00 17.64 C ATOM 0 H ILE A 105 0.076 3.317 17.765 1.00 16.94 H new ATOM 0 HA ILE A 105 -0.884 4.932 15.732 1.00 17.48 H new ATOM 0 HB ILE A 105 -1.901 2.910 16.805 1.00 16.99 H new ATOM 0 HG12 ILE A 105 -3.750 5.312 16.646 1.00 17.46 H new ATOM 0 HG13 ILE A 105 -3.187 4.372 15.278 1.00 17.46 H new ATOM 0 HG21 ILE A 105 -3.318 3.154 18.817 1.00 16.85 H new ATOM 0 HG22 ILE A 105 -1.591 3.420 19.157 1.00 16.85 H new ATOM 0 HG23 ILE A 105 -2.699 4.808 19.037 1.00 16.85 H new ATOM 0 HD11 ILE A 105 -5.475 3.717 15.910 1.00 17.64 H new ATOM 0 HD12 ILE A 105 -4.351 2.361 16.165 1.00 17.64 H new ATOM 0 HD13 ILE A 105 -4.923 3.316 17.553 1.00 17.64 H new ATOM 1644 N PRO A 106 -1.734 7.214 16.493 1.00 19.58 N ATOM 1645 CA PRO A 106 -2.171 8.546 16.919 1.00 20.80 C ATOM 1646 C PRO A 106 -3.617 8.549 17.433 1.00 21.09 C ATOM 1647 O PRO A 106 -3.806 8.652 18.665 1.00 21.05 O ATOM 1648 CB PRO A 106 -1.957 9.449 15.702 1.00 21.75 C ATOM 1649 CG PRO A 106 -2.185 8.511 14.519 1.00 21.39 C ATOM 1650 CD PRO A 106 -1.728 7.144 15.036 1.00 19.89 C ATOM 1651 OXT PRO A 106 -4.558 8.444 16.652 1.00 21.55 O ATOM 0 HA PRO A 106 -1.598 8.907 17.773 1.00 20.80 H new ATOM 0 HB2 PRO A 106 -2.658 10.284 15.693 1.00 21.75 H new ATOM 0 HB3 PRO A 106 -0.954 9.875 15.689 1.00 21.75 H new ATOM 0 HG2 PRO A 106 -3.233 8.494 14.219 1.00 21.39 H new ATOM 0 HG3 PRO A 106 -1.609 8.821 13.647 1.00 21.39 H new ATOM 0 HD2 PRO A 106 -2.395 6.357 14.685 1.00 19.89 H new ATOM 0 HD3 PRO A 106 -0.731 6.906 14.666 1.00 19.89 H new TER 1659 PRO A 106 HETATM 1660 FE HEC A 107 -4.045 0.836 3.473 1.00 0.85 FE HETATM 1661 CHA HEC A 107 -4.765 -2.026 1.636 1.00 0.92 C HETATM 1662 CHB HEC A 107 -0.707 0.612 2.546 1.00 1.04 C HETATM 1663 CHC HEC A 107 -3.365 3.783 5.209 1.00 1.15 C HETATM 1664 CHD HEC A 107 -7.368 0.999 4.525 1.00 1.01 C HETATM 1665 NA HEC A 107 -2.944 -0.447 2.271 1.00 0.85 N HETATM 1666 C1A HEC A 107 -3.448 -1.547 1.631 1.00 0.88 C HETATM 1667 C2A HEC A 107 -2.356 -2.154 0.900 1.00 0.91 C HETATM 1668 C3A HEC A 107 -1.218 -1.431 1.182 1.00 0.93 C HETATM 1669 C4A HEC A 107 -1.600 -0.342 2.049 1.00 0.92 C HETATM 1670 CMA HEC A 107 0.180 -1.712 0.674 1.00 1.01 C HETATM 1671 CAA HEC A 107 -2.435 -3.358 -0.017 1.00 0.99 C HETATM 1672 CBA HEC A 107 -1.974 -4.653 0.663 1.00 1.42 C HETATM 1673 CGA HEC A 107 -2.043 -5.848 -0.277 1.00 1.40 C HETATM 1674 O1A HEC A 107 -1.352 -5.824 -1.314 1.00 2.05 O HETATM 1675 O2A HEC A 107 -2.781 -6.795 0.057 1.00 2.38 O HETATM 1676 NB HEC A 107 -2.348 2.011 3.786 1.00 1.02 N HETATM 1677 C1B HEC A 107 -1.096 1.700 3.336 1.00 1.09 C HETATM 1678 C2B HEC A 107 -0.189 2.688 3.873 1.00 1.35 C HETATM 1679 C3B HEC A 107 -0.947 3.642 4.522 1.00 1.27 C HETATM 1680 C4B HEC A 107 -2.311 3.161 4.534 1.00 1.14 C HETATM 1681 CMB HEC A 107 1.321 2.608 3.855 1.00 1.79 C HETATM 1682 CAB HEC A 107 -0.458 4.968 5.085 1.00 1.28 C HETATM 1683 CBB HEC A 107 -0.098 5.946 3.967 1.00 1.39 C HETATM 1684 NC HEC A 107 -5.149 2.127 4.685 1.00 0.94 N HETATM 1685 C1C HEC A 107 -4.649 3.245 5.290 1.00 1.05 C HETATM 1686 C2C HEC A 107 -5.712 3.831 6.064 1.00 1.10 C HETATM 1687 C3C HEC A 107 -6.798 2.985 5.975 1.00 1.03 C HETATM 1688 C4C HEC A 107 -6.472 1.971 4.996 1.00 0.95 C HETATM 1689 CMC HEC A 107 -5.625 5.128 6.841 1.00 1.23 C HETATM 1690 CAC HEC A 107 -7.988 2.954 6.914 1.00 1.07 C HETATM 1691 CBC HEC A 107 -8.990 4.076 6.631 1.00 1.26 C HETATM 1692 ND HEC A 107 -5.783 -0.302 3.113 1.00 0.89 N HETATM 1693 C1D HEC A 107 -7.014 -0.027 3.635 1.00 1.00 C HETATM 1694 C2D HEC A 107 -7.925 -1.017 3.105 1.00 1.19 C HETATM 1695 C3D HEC A 107 -7.213 -1.827 2.247 1.00 1.13 C HETATM 1696 C4D HEC A 107 -5.828 -1.411 2.316 1.00 0.94 C HETATM 1697 CMD HEC A 107 -9.413 -1.126 3.364 1.00 1.50 C HETATM 1698 CAD HEC A 107 -7.828 -2.891 1.348 1.00 1.33 C HETATM 1699 CBD HEC A 107 -7.421 -2.872 -0.138 1.00 2.17 C HETATM 1700 CGD HEC A 107 -7.201 -1.480 -0.715 1.00 3.39 C HETATM 1701 O1D HEC A 107 -8.202 -0.864 -1.132 1.00 4.40 O HETATM 1702 O2D HEC A 107 -6.023 -1.068 -0.765 1.00 4.03 O HETATM 0 HMD3 HEC A 107 -9.588 -1.262 4.431 1.00 1.50 H new HETATM 0 HMD2 HEC A 107 -9.908 -0.215 3.028 1.00 1.50 H new HETATM 0 HMD1 HEC A 107 -9.816 -1.980 2.819 1.00 1.50 H new HETATM 0 HMC3 HEC A 107 -4.841 5.049 7.594 1.00 1.23 H new HETATM 0 HMC2 HEC A 107 -5.392 5.946 6.159 1.00 1.23 H new HETATM 0 HMC1 HEC A 107 -6.579 5.324 7.330 1.00 1.23 H new HETATM 0 HMB3 HEC A 107 1.645 1.719 4.397 1.00 1.79 H new HETATM 0 HMB2 HEC A 107 1.670 2.551 2.824 1.00 1.79 H new HETATM 0 HMB1 HEC A 107 1.738 3.495 4.331 1.00 1.79 H new HETATM 0 HMA3 HEC A 107 0.493 -2.704 1.000 1.00 1.01 H new HETATM 0 HMA2 HEC A 107 0.187 -1.669 -0.415 1.00 1.01 H new HETATM 0 HMA1 HEC A 107 0.868 -0.965 1.071 1.00 1.01 H new HETATM 0 HBD2 HEC A 107 -6.505 -3.450 -0.258 1.00 2.17 H new HETATM 0 HBD1 HEC A 107 -8.194 -3.375 -0.720 1.00 2.17 H new HETATM 0 HBC3 HEC A 107 -8.497 5.041 6.747 1.00 1.26 H new HETATM 0 HBC2 HEC A 107 -9.365 3.980 5.612 1.00 1.26 H new HETATM 0 HBC1 HEC A 107 -9.822 4.006 7.332 1.00 1.26 H new HETATM 0 HBB3 HEC A 107 0.692 5.519 3.350 1.00 1.39 H new HETATM 0 HBB2 HEC A 107 -0.977 6.134 3.351 1.00 1.39 H new HETATM 0 HBB1 HEC A 107 0.248 6.884 4.401 1.00 1.39 H new HETATM 0 HBA2 HEC A 107 -0.951 -4.531 1.019 1.00 1.42 H new HETATM 0 HBA1 HEC A 107 -2.595 -4.844 1.538 1.00 1.42 H new HETATM 0 HAD2 HEC A 107 -7.573 -3.869 1.757 1.00 1.33 H new HETATM 0 HAD1 HEC A 107 -8.912 -2.796 1.403 1.00 1.33 H new HETATM 0 HAA2 HEC A 107 -3.462 -3.480 -0.362 1.00 0.99 H new HETATM 0 HAA1 HEC A 107 -1.821 -3.178 -0.900 1.00 0.99 H new HETATM 0 HHD HEC A 107 -8.401 1.043 4.871 1.00 1.01 H new HETATM 0 HHC HEC A 107 -3.173 4.738 5.698 1.00 1.15 H new HETATM 0 HHB HEC A 107 0.350 0.502 2.305 1.00 1.04 H new HETATM 0 HHA HEC A 107 -4.978 -2.936 1.075 1.00 0.92 H new HETATM 0 H2D HEC A 107 -6.004 -0.183 -1.185 1.00 4.03 H new