USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 GLN : amide:sc= 0.18 K(o=0.37,f=-1.8) USER MOD Set 1.2: A 49 LYS NZ :NH3+ -122:sc= 0.187 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -110:sc= 0.33 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0445 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 K(o=0,f=-1) USER MOD Single : A 46 SER OG : rot 68:sc= 1.08 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.330 0.551 -3.184 1.00 0.00 N ATOM 2 CA MET A 1 2.705 1.085 -1.939 1.00 0.00 C ATOM 3 C MET A 1 1.183 1.438 -2.050 1.00 0.00 C ATOM 4 O MET A 1 0.461 1.274 -1.065 1.00 0.00 O ATOM 5 CB MET A 1 3.609 2.231 -1.409 1.00 0.00 C ATOM 6 CG MET A 1 3.427 2.595 0.080 1.00 0.00 C ATOM 7 SD MET A 1 2.223 3.923 0.284 1.00 0.00 S ATOM 8 CE MET A 1 2.785 4.585 1.866 1.00 0.00 C ATOM 0 H1 MET A 1 4.335 0.349 -3.009 1.00 0.00 H new ATOM 0 H2 MET A 1 2.845 -0.324 -3.468 1.00 0.00 H new ATOM 0 H3 MET A 1 3.246 1.256 -3.944 1.00 0.00 H new ATOM 0 HA MET A 1 2.666 0.288 -1.196 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.650 1.952 -1.571 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.422 3.123 -2.007 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.100 1.716 0.635 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.384 2.900 0.502 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.151 5.423 2.155 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.728 3.807 2.627 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.816 4.925 1.772 1.00 0.00 H new ATOM 18 N TYR A 2 0.691 1.886 -3.226 1.00 0.00 N ATOM 19 CA TYR A 2 -0.768 2.024 -3.535 1.00 0.00 C ATOM 20 C TYR A 2 -1.515 3.134 -2.717 1.00 0.00 C ATOM 21 O TYR A 2 -2.147 2.883 -1.688 1.00 0.00 O ATOM 22 CB TYR A 2 -1.530 0.664 -3.515 1.00 0.00 C ATOM 23 CG TYR A 2 -1.048 -0.431 -4.486 1.00 0.00 C ATOM 24 CD1 TYR A 2 -1.122 -0.253 -5.873 1.00 0.00 C ATOM 25 CD2 TYR A 2 -0.533 -1.627 -3.975 1.00 0.00 C ATOM 26 CE1 TYR A 2 -0.678 -1.255 -6.735 1.00 0.00 C ATOM 27 CE2 TYR A 2 -0.095 -2.629 -4.838 1.00 0.00 C ATOM 28 CZ TYR A 2 -0.165 -2.441 -6.215 1.00 0.00 C ATOM 29 OH TYR A 2 0.275 -3.432 -7.052 1.00 0.00 O ATOM 0 H TYR A 2 1.292 2.167 -4.001 1.00 0.00 H new ATOM 0 HA TYR A 2 -0.781 2.381 -4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.478 0.263 -2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -2.581 0.863 -3.726 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -1.525 0.664 -6.277 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.475 -1.774 -2.907 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.732 -1.112 -7.804 1.00 0.00 H new ATOM 0 HE2 TYR A 2 0.299 -3.552 -4.438 1.00 0.00 H new ATOM 0 HH TYR A 2 0.602 -4.188 -6.521 1.00 0.00 H new ATOM 39 N LEU A 3 -1.451 4.371 -3.217 1.00 0.00 N ATOM 40 CA LEU A 3 -2.039 5.570 -2.574 1.00 0.00 C ATOM 41 C LEU A 3 -3.484 5.875 -3.110 1.00 0.00 C ATOM 42 O LEU A 3 -3.731 5.916 -4.319 1.00 0.00 O ATOM 43 CB LEU A 3 -0.996 6.686 -2.884 1.00 0.00 C ATOM 44 CG LEU A 3 -1.210 8.067 -2.230 1.00 0.00 C ATOM 45 CD1 LEU A 3 -1.022 8.022 -0.701 1.00 0.00 C ATOM 46 CD2 LEU A 3 -0.218 9.082 -2.824 1.00 0.00 C ATOM 0 H LEU A 3 -0.981 4.581 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.200 5.459 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.014 6.321 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.966 6.827 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.237 8.367 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.183 9.017 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.740 7.327 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.010 7.691 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.372 10.056 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.802 8.747 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.380 9.163 -3.899 1.00 0.00 H new ATOM 58 N THR A 4 -4.439 6.127 -2.196 1.00 0.00 N ATOM 59 CA THR A 4 -5.868 6.444 -2.536 1.00 0.00 C ATOM 60 C THR A 4 -6.052 7.753 -3.392 1.00 0.00 C ATOM 61 O THR A 4 -5.269 8.694 -3.264 1.00 0.00 O ATOM 62 CB THR A 4 -6.637 6.497 -1.171 1.00 0.00 C ATOM 63 OG1 THR A 4 -6.547 5.238 -0.508 1.00 0.00 O ATOM 64 CG2 THR A 4 -8.145 6.795 -1.232 1.00 0.00 C ATOM 0 H THR A 4 -4.256 6.120 -1.193 1.00 0.00 H new ATOM 0 HA THR A 4 -6.274 5.672 -3.190 1.00 0.00 H new ATOM 0 HB THR A 4 -6.148 7.326 -0.660 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.423 4.800 -0.518 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.555 6.803 -0.222 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.305 7.768 -1.697 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.644 6.025 -1.820 1.00 0.00 H new ATOM 72 N LEU A 5 -7.108 7.841 -4.230 1.00 0.00 N ATOM 73 CA LEU A 5 -7.365 9.009 -5.142 1.00 0.00 C ATOM 74 C LEU A 5 -7.355 10.432 -4.491 1.00 0.00 C ATOM 75 O LEU A 5 -6.645 11.321 -4.973 1.00 0.00 O ATOM 76 CB LEU A 5 -8.667 8.695 -5.945 1.00 0.00 C ATOM 77 CG LEU A 5 -9.022 9.598 -7.166 1.00 0.00 C ATOM 78 CD1 LEU A 5 -9.952 8.856 -8.146 1.00 0.00 C ATOM 79 CD2 LEU A 5 -9.716 10.920 -6.784 1.00 0.00 C ATOM 0 H LEU A 5 -7.815 7.110 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.506 9.098 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.597 7.667 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.504 8.735 -5.248 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.062 9.834 -7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.185 9.506 -8.989 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.455 7.956 -8.508 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.874 8.580 -7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.931 11.492 -7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.648 10.704 -6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.061 11.500 -6.134 1.00 0.00 H new ATOM 91 N GLN A 6 -8.101 10.633 -3.389 1.00 0.00 N ATOM 92 CA GLN A 6 -7.998 11.871 -2.554 1.00 0.00 C ATOM 93 C GLN A 6 -6.570 12.177 -1.982 1.00 0.00 C ATOM 94 O GLN A 6 -6.087 13.309 -2.086 1.00 0.00 O ATOM 95 CB GLN A 6 -9.066 11.783 -1.426 1.00 0.00 C ATOM 96 CG GLN A 6 -9.347 13.118 -0.682 1.00 0.00 C ATOM 97 CD GLN A 6 -9.960 12.956 0.712 1.00 0.00 C ATOM 98 OE1 GLN A 6 -9.271 12.979 1.724 1.00 0.00 O ATOM 99 NE2 GLN A 6 -11.256 12.796 0.825 1.00 0.00 N ATOM 0 H GLN A 6 -8.786 9.960 -3.046 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.189 12.720 -3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.999 11.422 -1.858 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.743 11.040 -0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.412 13.671 -0.591 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.018 13.724 -1.291 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.842 12.775 -0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.679 12.693 1.748 1.00 0.00 H new ATOM 108 N GLU A 7 -5.897 11.159 -1.419 1.00 0.00 N ATOM 109 CA GLU A 7 -4.471 11.237 -1.022 1.00 0.00 C ATOM 110 C GLU A 7 -3.465 11.539 -2.189 1.00 0.00 C ATOM 111 O GLU A 7 -2.610 12.412 -2.035 1.00 0.00 O ATOM 112 CB GLU A 7 -4.149 9.941 -0.216 1.00 0.00 C ATOM 113 CG GLU A 7 -3.560 10.168 1.194 1.00 0.00 C ATOM 114 CD GLU A 7 -4.578 10.659 2.229 1.00 0.00 C ATOM 115 OE1 GLU A 7 -5.481 9.954 2.669 1.00 0.00 O ATOM 116 OE2 GLU A 7 -4.362 11.956 2.600 1.00 0.00 O ATOM 0 H GLU A 7 -6.324 10.253 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.325 12.116 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.064 9.357 -0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.446 9.340 -0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.122 9.235 1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.750 10.894 1.125 1.00 0.00 H new ATOM 123 N TRP A 8 -3.603 10.891 -3.364 1.00 0.00 N ATOM 124 CA TRP A 8 -2.875 11.265 -4.613 1.00 0.00 C ATOM 125 C TRP A 8 -3.094 12.746 -5.071 1.00 0.00 C ATOM 126 O TRP A 8 -2.104 13.454 -5.254 1.00 0.00 O ATOM 127 CB TRP A 8 -3.207 10.206 -5.703 1.00 0.00 C ATOM 128 CG TRP A 8 -2.350 10.305 -6.977 1.00 0.00 C ATOM 129 CD1 TRP A 8 -1.077 9.724 -7.158 1.00 0.00 C ATOM 130 CD2 TRP A 8 -2.608 11.000 -8.151 1.00 0.00 C ATOM 131 NE1 TRP A 8 -0.549 10.017 -8.428 1.00 0.00 N ATOM 132 CE2 TRP A 8 -1.504 10.819 -9.022 1.00 0.00 C ATOM 133 CE3 TRP A 8 -3.685 11.841 -8.528 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -1.462 11.492 -10.271 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -3.616 12.495 -9.759 1.00 0.00 C ATOM 136 CH2 TRP A 8 -2.524 12.326 -10.615 1.00 0.00 C ATOM 0 H TRP A 8 -4.223 10.090 -3.483 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.804 11.246 -4.413 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.083 9.212 -5.274 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.257 10.305 -5.979 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.571 9.128 -6.413 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.339 9.707 -8.822 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.538 11.972 -7.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.625 11.360 -10.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.424 13.146 -10.057 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.503 12.851 -11.559 1.00 0.00 H new ATOM 147 N ASN A 9 -4.348 13.232 -5.185 1.00 0.00 N ATOM 148 CA ASN A 9 -4.649 14.685 -5.371 1.00 0.00 C ATOM 149 C ASN A 9 -3.958 15.663 -4.348 1.00 0.00 C ATOM 150 O ASN A 9 -3.347 16.648 -4.770 1.00 0.00 O ATOM 151 CB ASN A 9 -6.200 14.814 -5.385 1.00 0.00 C ATOM 152 CG ASN A 9 -6.762 16.169 -5.843 1.00 0.00 C ATOM 153 OD1 ASN A 9 -6.283 16.814 -6.769 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.808 16.644 -5.212 1.00 0.00 N ATOM 0 H ASN A 9 -5.180 12.642 -5.152 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.210 15.015 -6.313 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.603 14.038 -6.036 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.570 14.611 -4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.211 17.538 -5.494 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.219 16.120 -4.439 1.00 0.00 H new ATOM 161 N ALA A 10 -4.000 15.362 -3.033 1.00 0.00 N ATOM 162 CA ALA A 10 -3.178 16.065 -2.008 1.00 0.00 C ATOM 163 C ALA A 10 -1.619 16.008 -2.150 1.00 0.00 C ATOM 164 O ALA A 10 -0.953 17.001 -1.847 1.00 0.00 O ATOM 165 CB ALA A 10 -3.662 15.543 -0.641 1.00 0.00 C ATOM 0 H ALA A 10 -4.598 14.631 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.342 17.134 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.093 16.025 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.721 15.770 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.514 14.464 -0.590 1.00 0.00 H new ATOM 171 N ARG A 11 -1.037 14.890 -2.621 1.00 0.00 N ATOM 172 CA ARG A 11 0.407 14.816 -2.992 1.00 0.00 C ATOM 173 C ARG A 11 0.814 15.459 -4.374 1.00 0.00 C ATOM 174 O ARG A 11 2.011 15.682 -4.578 1.00 0.00 O ATOM 175 CB ARG A 11 0.880 13.335 -2.847 1.00 0.00 C ATOM 176 CG ARG A 11 1.254 12.849 -1.416 1.00 0.00 C ATOM 177 CD ARG A 11 0.065 12.512 -0.493 1.00 0.00 C ATOM 178 NE ARG A 11 0.517 11.991 0.829 1.00 0.00 N ATOM 179 CZ ARG A 11 0.570 12.688 1.966 1.00 0.00 C ATOM 180 NH1 ARG A 11 0.306 13.969 2.047 1.00 0.00 N ATOM 181 NH2 ARG A 11 0.909 12.062 3.056 1.00 0.00 N ATOM 0 H ARG A 11 -1.541 14.014 -2.758 1.00 0.00 H new ATOM 0 HA ARG A 11 0.939 15.460 -2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.090 12.688 -3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.748 13.192 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.883 11.963 -1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.856 13.620 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.542 13.405 -0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.571 11.771 -0.977 1.00 0.00 H new ATOM 0 HE ARG A 11 0.812 11.015 0.868 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.042 14.489 1.210 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.364 14.446 2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.125 11.066 3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.958 12.568 3.940 1.00 0.00 H new ATOM 195 N GLN A 12 -0.108 15.813 -5.298 1.00 0.00 N ATOM 196 CA GLN A 12 0.239 16.515 -6.573 1.00 0.00 C ATOM 197 C GLN A 12 0.324 18.075 -6.415 1.00 0.00 C ATOM 198 O GLN A 12 -0.475 18.814 -7.002 1.00 0.00 O ATOM 199 CB GLN A 12 -0.785 16.104 -7.679 1.00 0.00 C ATOM 200 CG GLN A 12 -0.787 14.641 -8.182 1.00 0.00 C ATOM 201 CD GLN A 12 0.539 14.120 -8.743 1.00 0.00 C ATOM 202 OE1 GLN A 12 1.053 14.587 -9.755 1.00 0.00 O ATOM 203 NE2 GLN A 12 1.119 13.136 -8.102 1.00 0.00 N ATOM 0 H GLN A 12 -1.105 15.627 -5.191 1.00 0.00 H new ATOM 0 HA GLN A 12 1.240 16.201 -6.867 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.784 16.326 -7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.618 16.750 -8.541 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.088 13.995 -7.357 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.548 14.545 -8.956 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.688 12.751 -7.261 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.001 12.755 -8.443 1.00 0.00 H new ATOM 212 N ARG A 13 1.303 18.593 -5.640 1.00 0.00 N ATOM 213 CA ARG A 13 1.457 20.059 -5.327 1.00 0.00 C ATOM 214 C ARG A 13 0.320 20.699 -4.454 1.00 0.00 C ATOM 215 O ARG A 13 0.596 21.277 -3.401 1.00 0.00 O ATOM 216 CB ARG A 13 1.788 20.945 -6.573 1.00 0.00 C ATOM 217 CG ARG A 13 3.115 20.634 -7.304 1.00 0.00 C ATOM 218 CD ARG A 13 3.218 21.364 -8.661 1.00 0.00 C ATOM 219 NE ARG A 13 4.427 20.960 -9.437 1.00 0.00 N ATOM 220 CZ ARG A 13 4.542 19.853 -10.177 1.00 0.00 C ATOM 221 NH1 ARG A 13 3.615 18.931 -10.249 1.00 0.00 N ATOM 222 NH2 ARG A 13 5.636 19.674 -10.858 1.00 0.00 N ATOM 0 H ARG A 13 2.021 18.014 -5.204 1.00 0.00 H new ATOM 0 HA ARG A 13 2.338 20.057 -4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.972 20.846 -7.289 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.809 21.987 -6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.953 20.926 -6.672 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.196 19.559 -7.465 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.325 21.155 -9.251 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.243 22.440 -8.490 1.00 0.00 H new ATOM 0 HE ARG A 13 5.235 21.582 -9.399 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.748 19.037 -9.722 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.760 18.106 -10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.381 20.370 -10.819 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.749 18.838 -11.431 1.00 0.00 H new ATOM 236 N ARG A 14 -0.934 20.661 -4.934 1.00 0.00 N ATOM 237 CA ARG A 14 -2.104 21.313 -4.288 1.00 0.00 C ATOM 238 C ARG A 14 -3.434 20.565 -4.678 1.00 0.00 C ATOM 239 O ARG A 14 -3.678 20.392 -5.886 1.00 0.00 O ATOM 240 CB ARG A 14 -2.139 22.842 -4.587 1.00 0.00 C ATOM 241 CG ARG A 14 -2.230 23.281 -6.075 1.00 0.00 C ATOM 242 CD ARG A 14 -1.637 24.676 -6.367 1.00 0.00 C ATOM 243 NE ARG A 14 -2.649 25.771 -6.408 1.00 0.00 N ATOM 244 CZ ARG A 14 -2.976 26.574 -5.395 1.00 0.00 C ATOM 245 NH1 ARG A 14 -2.555 26.400 -4.168 1.00 0.00 N ATOM 246 NH2 ARG A 14 -3.759 27.585 -5.638 1.00 0.00 N ATOM 0 H ARG A 14 -1.176 20.171 -5.795 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.005 21.229 -3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.991 23.269 -4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.242 23.289 -4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.714 22.544 -6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.277 23.274 -6.380 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.894 24.910 -5.604 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.113 24.644 -7.322 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.136 25.919 -7.292 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.942 25.616 -3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.840 27.049 -3.434 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.105 27.746 -6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.026 28.216 -4.883 1.00 0.00 H new ATOM 260 N PRO A 15 -4.323 20.130 -3.727 1.00 0.00 N ATOM 261 CA PRO A 15 -5.575 19.399 -4.064 1.00 0.00 C ATOM 262 C PRO A 15 -6.707 20.324 -4.607 1.00 0.00 C ATOM 263 O PRO A 15 -7.496 20.908 -3.859 1.00 0.00 O ATOM 264 CB PRO A 15 -5.927 18.703 -2.735 1.00 0.00 C ATOM 265 CG PRO A 15 -5.318 19.576 -1.637 1.00 0.00 C ATOM 266 CD PRO A 15 -4.077 20.206 -2.272 1.00 0.00 C ATOM 0 HA PRO A 15 -5.449 18.696 -4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.007 18.616 -2.612 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.520 17.692 -2.702 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.021 20.339 -1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.055 18.982 -0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.945 21.238 -1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.172 19.666 -1.994 1.00 0.00 H new ATOM 274 N ARG A 16 -6.768 20.437 -5.938 1.00 0.00 N ATOM 275 CA ARG A 16 -7.758 21.306 -6.636 1.00 0.00 C ATOM 276 C ARG A 16 -9.198 20.703 -6.718 1.00 0.00 C ATOM 277 O ARG A 16 -10.140 21.329 -6.228 1.00 0.00 O ATOM 278 CB ARG A 16 -7.130 21.788 -7.975 1.00 0.00 C ATOM 279 CG ARG A 16 -6.850 20.720 -9.073 1.00 0.00 C ATOM 280 CD ARG A 16 -5.611 21.000 -9.943 1.00 0.00 C ATOM 281 NE ARG A 16 -4.369 20.700 -9.173 1.00 0.00 N ATOM 282 CZ ARG A 16 -3.151 20.588 -9.693 1.00 0.00 C ATOM 283 NH1 ARG A 16 -2.864 20.862 -10.942 1.00 0.00 N ATOM 284 NH2 ARG A 16 -2.195 20.185 -8.914 1.00 0.00 N ATOM 0 H ARG A 16 -6.143 19.938 -6.570 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.956 22.194 -6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.791 22.542 -8.402 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.188 22.285 -7.743 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.728 19.749 -8.593 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.723 20.648 -9.721 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.645 20.390 -10.846 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.608 22.042 -10.262 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.462 20.570 -8.166 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.597 21.182 -11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.908 20.756 -11.281 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.391 19.966 -7.937 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.247 20.087 -9.278 1.00 0.00 H new ATOM 298 N SER A 17 -9.374 19.503 -7.305 1.00 0.00 N ATOM 299 CA SER A 17 -10.669 18.771 -7.293 1.00 0.00 C ATOM 300 C SER A 17 -10.455 17.263 -7.617 1.00 0.00 C ATOM 301 O SER A 17 -9.671 16.876 -8.492 1.00 0.00 O ATOM 302 CB SER A 17 -11.684 19.422 -8.270 1.00 0.00 C ATOM 303 OG SER A 17 -12.957 18.775 -8.214 1.00 0.00 O ATOM 0 H SER A 17 -8.630 19.011 -7.800 1.00 0.00 H new ATOM 0 HA SER A 17 -11.089 18.838 -6.289 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.801 20.478 -8.024 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.294 19.372 -9.287 1.00 0.00 H new ATOM 0 HG SER A 17 -13.573 19.210 -8.840 1.00 0.00 H new ATOM 309 N LEU A 18 -11.236 16.408 -6.942 1.00 0.00 N ATOM 310 CA LEU A 18 -11.370 14.967 -7.304 1.00 0.00 C ATOM 311 C LEU A 18 -12.032 14.702 -8.705 1.00 0.00 C ATOM 312 O LEU A 18 -11.605 13.784 -9.410 1.00 0.00 O ATOM 313 CB LEU A 18 -12.106 14.219 -6.156 1.00 0.00 C ATOM 314 CG LEU A 18 -11.349 14.057 -4.804 1.00 0.00 C ATOM 315 CD1 LEU A 18 -11.404 15.295 -3.888 1.00 0.00 C ATOM 316 CD2 LEU A 18 -11.928 12.866 -4.020 1.00 0.00 C ATOM 0 H LEU A 18 -11.794 16.681 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.361 14.570 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.041 14.743 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.368 13.224 -6.516 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.306 13.902 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.852 15.093 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.957 16.147 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.442 15.521 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.394 12.758 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.985 13.041 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.815 11.954 -4.607 1.00 0.00 H new ATOM 328 N GLU A 19 -13.004 15.534 -9.146 1.00 0.00 N ATOM 329 CA GLU A 19 -13.428 15.611 -10.577 1.00 0.00 C ATOM 330 C GLU A 19 -12.296 15.956 -11.609 1.00 0.00 C ATOM 331 O GLU A 19 -12.276 15.355 -12.686 1.00 0.00 O ATOM 332 CB GLU A 19 -14.616 16.603 -10.723 1.00 0.00 C ATOM 333 CG GLU A 19 -15.952 16.151 -10.079 1.00 0.00 C ATOM 334 CD GLU A 19 -17.117 17.093 -10.388 1.00 0.00 C ATOM 335 OE1 GLU A 19 -17.603 17.213 -11.509 1.00 0.00 O ATOM 336 OE2 GLU A 19 -17.548 17.774 -9.284 1.00 0.00 O ATOM 0 H GLU A 19 -13.516 16.168 -8.533 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.731 14.597 -10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.326 17.557 -10.282 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.788 16.782 -11.784 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.198 15.150 -10.433 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.823 16.084 -8.999 1.00 0.00 H new ATOM 343 N THR A 20 -11.348 16.864 -11.288 1.00 0.00 N ATOM 344 CA THR A 20 -10.109 17.089 -12.100 1.00 0.00 C ATOM 345 C THR A 20 -9.222 15.807 -12.291 1.00 0.00 C ATOM 346 O THR A 20 -8.908 15.449 -13.430 1.00 0.00 O ATOM 347 CB THR A 20 -9.328 18.333 -11.567 1.00 0.00 C ATOM 348 OG1 THR A 20 -10.163 19.484 -11.513 1.00 0.00 O ATOM 349 CG2 THR A 20 -8.132 18.749 -12.431 1.00 0.00 C ATOM 0 H THR A 20 -11.410 17.464 -10.465 1.00 0.00 H new ATOM 0 HA THR A 20 -10.427 17.317 -13.118 1.00 0.00 H new ATOM 0 HB THR A 20 -8.981 18.011 -10.585 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.648 20.246 -11.174 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.648 19.620 -11.988 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.419 17.926 -12.486 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.477 18.997 -13.435 1.00 0.00 H new ATOM 357 N VAL A 21 -8.899 15.074 -11.210 1.00 0.00 N ATOM 358 CA VAL A 21 -8.286 13.706 -11.299 1.00 0.00 C ATOM 359 C VAL A 21 -9.143 12.659 -12.104 1.00 0.00 C ATOM 360 O VAL A 21 -8.592 11.941 -12.943 1.00 0.00 O ATOM 361 CB VAL A 21 -7.867 13.203 -9.871 1.00 0.00 C ATOM 362 CG1 VAL A 21 -7.190 11.810 -9.885 1.00 0.00 C ATOM 363 CG2 VAL A 21 -6.920 14.179 -9.128 1.00 0.00 C ATOM 0 H VAL A 21 -9.047 15.395 -10.253 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.383 13.804 -11.901 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.816 13.141 -9.338 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.926 11.523 -8.867 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.878 11.075 -10.302 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.288 11.850 -10.496 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.671 13.770 -8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.007 14.313 -9.708 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.415 15.142 -9.003 1.00 0.00 H new ATOM 373 N ARG A 22 -10.472 12.594 -11.892 1.00 0.00 N ATOM 374 CA ARG A 22 -11.398 11.750 -12.703 1.00 0.00 C ATOM 375 C ARG A 22 -11.393 12.042 -14.249 1.00 0.00 C ATOM 376 O ARG A 22 -11.318 11.091 -15.034 1.00 0.00 O ATOM 377 CB ARG A 22 -12.811 11.864 -12.057 1.00 0.00 C ATOM 378 CG ARG A 22 -13.787 10.672 -12.208 1.00 0.00 C ATOM 379 CD ARG A 22 -14.165 10.271 -13.650 1.00 0.00 C ATOM 380 NE ARG A 22 -15.511 9.626 -13.687 1.00 0.00 N ATOM 381 CZ ARG A 22 -16.658 10.244 -13.990 1.00 0.00 C ATOM 382 NH1 ARG A 22 -16.733 11.496 -14.371 1.00 0.00 N ATOM 383 NH2 ARG A 22 -17.769 9.570 -13.897 1.00 0.00 N ATOM 0 H ARG A 22 -10.942 13.121 -11.156 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.044 10.720 -12.672 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.675 12.049 -10.991 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.297 12.746 -12.474 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.345 9.805 -11.717 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.704 10.911 -11.669 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.162 11.153 -14.290 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.417 9.585 -14.049 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.560 8.632 -13.463 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.885 12.057 -14.450 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.640 11.910 -14.588 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.750 8.595 -13.599 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.657 10.018 -14.122 1.00 0.00 H new ATOM 397 N ARG A 23 -11.432 13.319 -14.697 1.00 0.00 N ATOM 398 CA ARG A 23 -11.146 13.675 -16.123 1.00 0.00 C ATOM 399 C ARG A 23 -9.707 13.361 -16.655 1.00 0.00 C ATOM 400 O ARG A 23 -9.574 12.974 -17.816 1.00 0.00 O ATOM 401 CB ARG A 23 -11.597 15.115 -16.482 1.00 0.00 C ATOM 402 CG ARG A 23 -10.895 16.288 -15.764 1.00 0.00 C ATOM 403 CD ARG A 23 -11.244 17.697 -16.305 1.00 0.00 C ATOM 404 NE ARG A 23 -10.059 18.404 -16.879 1.00 0.00 N ATOM 405 CZ ARG A 23 -9.477 18.119 -18.046 1.00 0.00 C ATOM 406 NH1 ARG A 23 -9.929 17.211 -18.866 1.00 0.00 N ATOM 407 NH2 ARG A 23 -8.402 18.766 -18.385 1.00 0.00 N ATOM 0 H ARG A 23 -11.656 14.119 -14.105 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.773 12.971 -16.670 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.463 15.250 -17.555 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.666 15.191 -16.282 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.150 16.250 -14.705 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.817 16.145 -15.838 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.014 17.607 -17.071 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.665 18.297 -15.498 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.662 19.169 -16.333 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.766 16.679 -18.627 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.445 17.033 -19.746 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.017 19.477 -17.763 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.943 18.562 -19.273 1.00 0.00 H new ATOM 421 N TRP A 24 -8.650 13.485 -15.835 1.00 0.00 N ATOM 422 CA TRP A 24 -7.282 12.988 -16.184 1.00 0.00 C ATOM 423 C TRP A 24 -7.150 11.436 -16.389 1.00 0.00 C ATOM 424 O TRP A 24 -6.462 11.005 -17.320 1.00 0.00 O ATOM 425 CB TRP A 24 -6.289 13.507 -15.113 1.00 0.00 C ATOM 426 CG TRP A 24 -6.069 15.024 -14.958 1.00 0.00 C ATOM 427 CD1 TRP A 24 -6.629 16.090 -15.709 1.00 0.00 C ATOM 428 CD2 TRP A 24 -5.298 15.629 -13.982 1.00 0.00 C ATOM 429 NE1 TRP A 24 -6.167 17.343 -15.257 1.00 0.00 N ATOM 430 CE2 TRP A 24 -5.349 17.030 -14.182 1.00 0.00 C ATOM 431 CE3 TRP A 24 -4.597 15.086 -12.873 1.00 0.00 C ATOM 432 CZ2 TRP A 24 -4.686 17.899 -13.282 1.00 0.00 C ATOM 433 CZ3 TRP A 24 -3.968 15.962 -11.988 1.00 0.00 C ATOM 434 CH2 TRP A 24 -4.007 17.347 -12.192 1.00 0.00 C ATOM 0 H TRP A 24 -8.704 13.926 -14.917 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.047 13.387 -17.171 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.620 13.124 -14.148 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.319 13.055 -15.320 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -7.323 15.958 -16.526 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.384 18.266 -15.633 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.552 14.018 -12.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.705 18.968 -13.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.442 15.566 -11.132 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.503 18.000 -11.495 1.00 0.00 H new ATOM 445 N VAL A 25 -7.838 10.611 -15.571 1.00 0.00 N ATOM 446 CA VAL A 25 -8.034 9.148 -15.839 1.00 0.00 C ATOM 447 C VAL A 25 -8.882 8.875 -17.135 1.00 0.00 C ATOM 448 O VAL A 25 -8.439 8.116 -17.999 1.00 0.00 O ATOM 449 CB VAL A 25 -8.596 8.433 -14.555 1.00 0.00 C ATOM 450 CG1 VAL A 25 -8.847 6.915 -14.739 1.00 0.00 C ATOM 451 CG2 VAL A 25 -7.680 8.554 -13.310 1.00 0.00 C ATOM 0 H VAL A 25 -8.276 10.927 -14.706 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.061 8.707 -16.056 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.534 8.966 -14.398 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.234 6.495 -13.810 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.573 6.760 -15.537 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.911 6.420 -14.999 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.139 8.035 -12.469 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.710 8.106 -13.527 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.546 9.606 -13.058 1.00 0.00 H new ATOM 461 N ARG A 26 -10.064 9.501 -17.292 1.00 0.00 N ATOM 462 CA ARG A 26 -10.872 9.439 -18.550 1.00 0.00 C ATOM 463 C ARG A 26 -10.195 9.935 -19.875 1.00 0.00 C ATOM 464 O ARG A 26 -10.418 9.313 -20.916 1.00 0.00 O ATOM 465 CB ARG A 26 -12.221 10.161 -18.275 1.00 0.00 C ATOM 466 CG ARG A 26 -13.276 9.303 -17.529 1.00 0.00 C ATOM 467 CD ARG A 26 -14.202 8.559 -18.511 1.00 0.00 C ATOM 468 NE ARG A 26 -15.179 7.704 -17.784 1.00 0.00 N ATOM 469 CZ ARG A 26 -16.214 7.075 -18.349 1.00 0.00 C ATOM 470 NH1 ARG A 26 -16.511 7.164 -19.623 1.00 0.00 N ATOM 471 NH2 ARG A 26 -16.972 6.330 -17.599 1.00 0.00 N ATOM 0 H ARG A 26 -10.495 10.065 -16.560 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.006 8.380 -18.772 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.024 11.059 -17.690 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.644 10.486 -19.226 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.771 8.581 -16.887 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.873 9.943 -16.880 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.736 9.280 -19.130 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.605 7.943 -19.183 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.049 7.589 -16.779 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.938 7.738 -20.241 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -17.315 6.659 -19.996 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.770 6.236 -16.604 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -17.768 5.840 -18.006 1.00 0.00 H new ATOM 485 N GLU A 27 -9.355 10.989 -19.858 1.00 0.00 N ATOM 486 CA GLU A 27 -8.427 11.294 -20.997 1.00 0.00 C ATOM 487 C GLU A 27 -7.154 10.375 -21.138 1.00 0.00 C ATOM 488 O GLU A 27 -6.384 10.569 -22.084 1.00 0.00 O ATOM 489 CB GLU A 27 -8.016 12.798 -20.938 1.00 0.00 C ATOM 490 CG GLU A 27 -9.155 13.817 -21.202 1.00 0.00 C ATOM 491 CD GLU A 27 -8.688 15.220 -21.600 1.00 0.00 C ATOM 492 OE1 GLU A 27 -8.259 16.063 -20.814 1.00 0.00 O ATOM 493 OE2 GLU A 27 -8.825 15.445 -22.937 1.00 0.00 O ATOM 0 H GLU A 27 -9.290 11.646 -19.081 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.002 11.068 -21.895 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.592 13.002 -19.955 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.225 12.968 -21.668 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.796 13.426 -21.992 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.768 13.895 -20.304 1.00 0.00 H new ATOM 500 N SER A 28 -6.917 9.399 -20.234 1.00 0.00 N ATOM 501 CA SER A 28 -5.720 8.507 -20.220 1.00 0.00 C ATOM 502 C SER A 28 -4.327 9.224 -20.216 1.00 0.00 C ATOM 503 O SER A 28 -3.462 8.961 -21.056 1.00 0.00 O ATOM 504 CB SER A 28 -5.889 7.384 -21.272 1.00 0.00 C ATOM 505 OG SER A 28 -4.964 6.325 -21.022 1.00 0.00 O ATOM 0 H SER A 28 -7.565 9.199 -19.472 1.00 0.00 H new ATOM 0 HA SER A 28 -5.689 8.035 -19.238 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.909 7.000 -21.242 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.729 7.787 -22.272 1.00 0.00 H new ATOM 0 HG SER A 28 -5.083 5.621 -21.694 1.00 0.00 H new ATOM 511 N ARG A 29 -4.114 10.137 -19.248 1.00 0.00 N ATOM 512 CA ARG A 29 -2.820 10.868 -19.105 1.00 0.00 C ATOM 513 C ARG A 29 -2.259 10.823 -17.644 1.00 0.00 C ATOM 514 O ARG A 29 -1.838 11.847 -17.103 1.00 0.00 O ATOM 515 CB ARG A 29 -2.968 12.304 -19.694 1.00 0.00 C ATOM 516 CG ARG A 29 -3.207 12.376 -21.230 1.00 0.00 C ATOM 517 CD ARG A 29 -2.701 13.655 -21.931 1.00 0.00 C ATOM 518 NE ARG A 29 -3.358 14.906 -21.455 1.00 0.00 N ATOM 519 CZ ARG A 29 -4.489 15.425 -21.934 1.00 0.00 C ATOM 520 NH1 ARG A 29 -5.198 14.865 -22.882 1.00 0.00 N ATOM 521 NH2 ARG A 29 -4.909 16.549 -21.430 1.00 0.00 N ATOM 0 H ARG A 29 -4.814 10.392 -18.551 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.054 10.357 -19.688 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.798 12.801 -19.191 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.067 12.870 -19.457 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.725 11.516 -21.694 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.277 12.281 -21.417 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.625 13.740 -21.777 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.863 13.557 -23.004 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.901 15.410 -20.695 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.892 13.984 -23.295 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.056 15.310 -23.208 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.376 17.007 -20.690 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.771 16.972 -21.775 1.00 0.00 H new ATOM 535 N ILE A 30 -2.180 9.626 -17.026 1.00 0.00 N ATOM 536 CA ILE A 30 -1.470 9.393 -15.727 1.00 0.00 C ATOM 537 C ILE A 30 -0.725 8.019 -15.872 1.00 0.00 C ATOM 538 O ILE A 30 -1.361 6.993 -16.141 1.00 0.00 O ATOM 539 CB ILE A 30 -2.414 9.452 -14.464 1.00 0.00 C ATOM 540 CG1 ILE A 30 -3.130 10.825 -14.276 1.00 0.00 C ATOM 541 CG2 ILE A 30 -1.638 9.111 -13.159 1.00 0.00 C ATOM 542 CD1 ILE A 30 -4.319 10.826 -13.301 1.00 0.00 C ATOM 0 H ILE A 30 -2.606 8.781 -17.408 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.763 10.201 -15.539 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.181 8.702 -14.655 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.397 11.552 -13.927 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.481 11.168 -15.249 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.317 9.161 -12.308 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.224 8.106 -13.234 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.829 9.827 -13.019 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.743 11.829 -13.245 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.080 10.130 -13.654 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.979 10.520 -12.312 1.00 0.00 H new ATOM 554 N PHE A 31 0.610 7.996 -15.675 1.00 0.00 N ATOM 555 CA PHE A 31 1.423 6.747 -15.769 1.00 0.00 C ATOM 556 C PHE A 31 2.315 6.508 -14.488 1.00 0.00 C ATOM 557 O PHE A 31 2.996 7.453 -14.068 1.00 0.00 O ATOM 558 CB PHE A 31 2.261 6.803 -17.079 1.00 0.00 C ATOM 559 CG PHE A 31 3.031 5.515 -17.424 1.00 0.00 C ATOM 560 CD1 PHE A 31 2.393 4.461 -18.089 1.00 0.00 C ATOM 561 CD2 PHE A 31 4.357 5.360 -17.007 1.00 0.00 C ATOM 562 CE1 PHE A 31 3.068 3.263 -18.313 1.00 0.00 C ATOM 563 CE2 PHE A 31 5.029 4.161 -17.231 1.00 0.00 C ATOM 564 CZ PHE A 31 4.384 3.113 -17.882 1.00 0.00 C ATOM 0 H PHE A 31 1.157 8.827 -15.449 1.00 0.00 H new ATOM 0 HA PHE A 31 0.756 5.886 -15.808 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.594 7.041 -17.908 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.975 7.623 -16.999 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.375 4.577 -18.429 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.862 6.174 -16.509 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.571 2.450 -18.821 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.050 4.044 -16.900 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.905 2.182 -18.053 1.00 0.00 H new ATOM 574 N PRO A 32 2.409 5.278 -13.883 1.00 0.00 N ATOM 575 CA PRO A 32 1.613 4.075 -14.274 1.00 0.00 C ATOM 576 C PRO A 32 0.077 4.120 -13.919 1.00 0.00 C ATOM 577 O PRO A 32 -0.306 4.856 -13.000 1.00 0.00 O ATOM 578 CB PRO A 32 2.376 2.926 -13.581 1.00 0.00 C ATOM 579 CG PRO A 32 3.095 3.572 -12.399 1.00 0.00 C ATOM 580 CD PRO A 32 3.486 4.951 -12.925 1.00 0.00 C ATOM 0 HA PRO A 32 1.552 3.972 -15.357 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.692 2.146 -13.246 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.085 2.457 -14.264 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.446 3.645 -11.527 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.970 2.995 -12.098 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.543 5.685 -12.121 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.462 4.933 -13.410 1.00 0.00 H new ATOM 588 N PRO A 33 -0.838 3.383 -14.623 1.00 0.00 N ATOM 589 CA PRO A 33 -2.307 3.509 -14.407 1.00 0.00 C ATOM 590 C PRO A 33 -2.856 2.955 -13.035 1.00 0.00 C ATOM 591 O PRO A 33 -2.330 1.947 -12.546 1.00 0.00 O ATOM 592 CB PRO A 33 -2.876 2.764 -15.633 1.00 0.00 C ATOM 593 CG PRO A 33 -1.802 1.745 -16.019 1.00 0.00 C ATOM 594 CD PRO A 33 -0.489 2.472 -15.734 1.00 0.00 C ATOM 0 HA PRO A 33 -2.613 4.552 -14.327 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.818 2.271 -15.392 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.078 3.453 -16.453 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.889 0.831 -15.432 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.881 1.459 -17.068 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.302 1.777 -15.451 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.135 3.020 -16.607 1.00 0.00 H new ATOM 602 N PRO A 34 -3.905 3.551 -12.389 1.00 0.00 N ATOM 603 CA PRO A 34 -4.393 3.091 -11.058 1.00 0.00 C ATOM 604 C PRO A 34 -5.228 1.769 -11.052 1.00 0.00 C ATOM 605 O PRO A 34 -6.015 1.495 -11.964 1.00 0.00 O ATOM 606 CB PRO A 34 -5.224 4.305 -10.600 1.00 0.00 C ATOM 607 CG PRO A 34 -5.739 4.939 -11.896 1.00 0.00 C ATOM 608 CD PRO A 34 -4.568 4.784 -12.860 1.00 0.00 C ATOM 0 HA PRO A 34 -3.567 2.813 -10.403 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.048 4.000 -9.955 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.616 5.008 -10.030 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.631 4.432 -12.264 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.004 5.986 -11.752 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.906 4.691 -13.892 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.897 5.642 -12.820 1.00 0.00 H new ATOM 616 N VAL A 35 -5.086 0.979 -9.974 1.00 0.00 N ATOM 617 CA VAL A 35 -5.840 -0.302 -9.804 1.00 0.00 C ATOM 618 C VAL A 35 -7.174 0.003 -9.039 1.00 0.00 C ATOM 619 O VAL A 35 -7.164 0.321 -7.846 1.00 0.00 O ATOM 620 CB VAL A 35 -4.950 -1.402 -9.118 1.00 0.00 C ATOM 621 CG1 VAL A 35 -5.692 -2.744 -8.900 1.00 0.00 C ATOM 622 CG2 VAL A 35 -3.650 -1.734 -9.892 1.00 0.00 C ATOM 0 H VAL A 35 -4.458 1.194 -9.199 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.102 -0.723 -10.775 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.702 -0.943 -8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.020 -3.458 -8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.560 -2.580 -8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.018 -3.140 -9.862 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.092 -2.501 -9.354 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.902 -2.100 -10.887 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.039 -0.835 -9.980 1.00 0.00 H new ATOM 632 N LYS A 36 -8.330 -0.116 -9.716 1.00 0.00 N ATOM 633 CA LYS A 36 -9.665 0.042 -9.070 1.00 0.00 C ATOM 634 C LYS A 36 -10.021 -1.204 -8.190 1.00 0.00 C ATOM 635 O LYS A 36 -10.246 -2.305 -8.704 1.00 0.00 O ATOM 636 CB LYS A 36 -10.684 0.379 -10.194 1.00 0.00 C ATOM 637 CG LYS A 36 -12.135 0.677 -9.736 1.00 0.00 C ATOM 638 CD LYS A 36 -13.048 -0.573 -9.639 1.00 0.00 C ATOM 639 CE LYS A 36 -13.725 -0.736 -8.271 1.00 0.00 C ATOM 640 NZ LYS A 36 -14.550 -1.960 -8.258 1.00 0.00 N ATOM 0 H LYS A 36 -8.377 -0.322 -10.714 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.680 0.865 -8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.314 1.244 -10.744 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.710 -0.456 -10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.102 1.164 -8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.584 1.386 -10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.816 -0.512 -10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.455 -1.463 -9.850 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.970 -0.788 -7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.347 0.134 -8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.005 -2.062 -7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.281 -1.894 -8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.947 -2.787 -8.441 1.00 0.00 H new ATOM 653 N ASP A 37 -10.039 -1.021 -6.857 1.00 0.00 N ATOM 654 CA ASP A 37 -10.107 -2.145 -5.884 1.00 0.00 C ATOM 655 C ASP A 37 -11.134 -1.794 -4.763 1.00 0.00 C ATOM 656 O ASP A 37 -10.892 -0.893 -3.954 1.00 0.00 O ATOM 657 CB ASP A 37 -8.671 -2.401 -5.326 1.00 0.00 C ATOM 658 CG ASP A 37 -8.240 -3.863 -5.352 1.00 0.00 C ATOM 659 OD1 ASP A 37 -8.770 -4.578 -4.316 1.00 0.00 O ATOM 660 OD2 ASP A 37 -7.505 -4.332 -6.216 1.00 0.00 O ATOM 0 H ASP A 37 -10.007 -0.100 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.452 -3.063 -6.359 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.959 -1.814 -5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.623 -2.038 -4.299 1.00 0.00 H new ATOM 665 N GLY A 38 -12.295 -2.477 -4.727 1.00 0.00 N ATOM 666 CA GLY A 38 -13.376 -2.176 -3.734 1.00 0.00 C ATOM 667 C GLY A 38 -14.000 -0.754 -3.717 1.00 0.00 C ATOM 668 O GLY A 38 -14.253 -0.210 -2.643 1.00 0.00 O ATOM 0 H GLY A 38 -12.519 -3.240 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.184 -2.889 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.975 -2.373 -2.740 1.00 0.00 H new ATOM 672 N ARG A 39 -14.220 -0.152 -4.900 1.00 0.00 N ATOM 673 CA ARG A 39 -14.504 1.315 -5.050 1.00 0.00 C ATOM 674 C ARG A 39 -13.429 2.327 -4.498 1.00 0.00 C ATOM 675 O ARG A 39 -13.758 3.459 -4.134 1.00 0.00 O ATOM 676 CB ARG A 39 -15.995 1.615 -4.694 1.00 0.00 C ATOM 677 CG ARG A 39 -16.998 1.139 -5.778 1.00 0.00 C ATOM 678 CD ARG A 39 -18.453 1.025 -5.282 1.00 0.00 C ATOM 679 NE ARG A 39 -19.365 0.590 -6.382 1.00 0.00 N ATOM 680 CZ ARG A 39 -19.527 -0.664 -6.816 1.00 0.00 C ATOM 681 NH1 ARG A 39 -18.896 -1.694 -6.307 1.00 0.00 N ATOM 682 NH2 ARG A 39 -20.351 -0.877 -7.801 1.00 0.00 N ATOM 0 H ARG A 39 -14.209 -0.655 -5.787 1.00 0.00 H new ATOM 0 HA ARG A 39 -14.374 1.538 -6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.239 1.132 -3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.116 2.688 -4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -16.965 1.833 -6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -16.676 0.168 -6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -18.505 0.312 -4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -18.783 1.987 -4.891 1.00 0.00 H new ATOM 0 HE ARG A 39 -19.914 1.315 -6.844 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -18.240 -1.561 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -19.061 -2.629 -6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -20.855 -0.097 -8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -20.493 -1.824 -8.151 1.00 0.00 H new ATOM 696 N GLU A 40 -12.133 1.960 -4.558 1.00 0.00 N ATOM 697 CA GLU A 40 -10.992 2.887 -4.336 1.00 0.00 C ATOM 698 C GLU A 40 -9.970 2.709 -5.502 1.00 0.00 C ATOM 699 O GLU A 40 -9.484 1.605 -5.774 1.00 0.00 O ATOM 700 CB GLU A 40 -10.334 2.625 -2.948 1.00 0.00 C ATOM 701 CG GLU A 40 -10.960 3.454 -1.798 1.00 0.00 C ATOM 702 CD GLU A 40 -10.386 3.183 -0.407 1.00 0.00 C ATOM 703 OE1 GLU A 40 -9.066 3.526 -0.312 1.00 0.00 O ATOM 704 OE2 GLU A 40 -11.052 2.731 0.520 1.00 0.00 O ATOM 0 H GLU A 40 -11.841 1.005 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.345 3.918 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.420 1.565 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.270 2.852 -3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.833 4.513 -2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.032 3.259 -1.774 1.00 0.00 H new ATOM 711 N TYR A 41 -9.612 3.820 -6.167 1.00 0.00 N ATOM 712 CA TYR A 41 -8.528 3.835 -7.189 1.00 0.00 C ATOM 713 C TYR A 41 -7.130 3.896 -6.495 1.00 0.00 C ATOM 714 O TYR A 41 -6.766 4.891 -5.859 1.00 0.00 O ATOM 715 CB TYR A 41 -8.743 5.030 -8.158 1.00 0.00 C ATOM 716 CG TYR A 41 -9.789 4.828 -9.269 1.00 0.00 C ATOM 717 CD1 TYR A 41 -11.155 4.989 -9.007 1.00 0.00 C ATOM 718 CD2 TYR A 41 -9.374 4.526 -10.568 1.00 0.00 C ATOM 719 CE1 TYR A 41 -12.088 4.850 -10.034 1.00 0.00 C ATOM 720 CE2 TYR A 41 -10.305 4.399 -11.596 1.00 0.00 C ATOM 721 CZ TYR A 41 -11.662 4.561 -11.327 1.00 0.00 C ATOM 722 OH TYR A 41 -12.572 4.438 -12.342 1.00 0.00 O ATOM 0 H TYR A 41 -10.054 4.728 -6.021 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.561 2.915 -7.773 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -9.033 5.900 -7.569 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.788 5.267 -8.627 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -11.487 5.222 -8.006 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.323 4.390 -10.777 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.141 4.967 -9.826 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.975 4.175 -12.600 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.103 4.236 -13.179 1.00 0.00 H new ATOM 732 N LEU A 42 -6.366 2.805 -6.633 1.00 0.00 N ATOM 733 CA LEU A 42 -5.024 2.655 -6.019 1.00 0.00 C ATOM 734 C LEU A 42 -3.931 3.201 -6.987 1.00 0.00 C ATOM 735 O LEU A 42 -3.474 2.501 -7.899 1.00 0.00 O ATOM 736 CB LEU A 42 -4.818 1.146 -5.704 1.00 0.00 C ATOM 737 CG LEU A 42 -5.737 0.453 -4.660 1.00 0.00 C ATOM 738 CD1 LEU A 42 -5.322 -1.022 -4.513 1.00 0.00 C ATOM 739 CD2 LEU A 42 -5.731 1.131 -3.278 1.00 0.00 C ATOM 0 H LEU A 42 -6.656 1.992 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.945 3.230 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.918 0.599 -6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.789 1.019 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.756 0.538 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.966 -1.510 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.420 -1.525 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.286 -1.077 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.396 0.590 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.719 1.123 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.074 2.161 -3.377 1.00 0.00 H new ATOM 751 N PHE A 43 -3.510 4.459 -6.783 1.00 0.00 N ATOM 752 CA PHE A 43 -2.422 5.086 -7.578 1.00 0.00 C ATOM 753 C PHE A 43 -1.062 4.726 -6.924 1.00 0.00 C ATOM 754 O PHE A 43 -0.793 5.139 -5.794 1.00 0.00 O ATOM 755 CB PHE A 43 -2.601 6.630 -7.591 1.00 0.00 C ATOM 756 CG PHE A 43 -3.751 7.194 -8.435 1.00 0.00 C ATOM 757 CD1 PHE A 43 -5.047 7.250 -7.911 1.00 0.00 C ATOM 758 CD2 PHE A 43 -3.509 7.678 -9.725 1.00 0.00 C ATOM 759 CE1 PHE A 43 -6.087 7.770 -8.675 1.00 0.00 C ATOM 760 CE2 PHE A 43 -4.553 8.203 -10.482 1.00 0.00 C ATOM 761 CZ PHE A 43 -5.839 8.257 -9.954 1.00 0.00 C ATOM 0 H PHE A 43 -3.905 5.073 -6.070 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.454 4.719 -8.604 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.742 6.963 -6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.671 7.075 -7.946 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.240 6.889 -6.912 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.510 7.644 -10.135 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.089 7.796 -8.274 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.364 8.569 -11.480 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.645 8.677 -10.537 1.00 0.00 H new ATOM 771 N HIS A 44 -0.172 3.990 -7.609 1.00 0.00 N ATOM 772 CA HIS A 44 1.182 3.681 -7.058 1.00 0.00 C ATOM 773 C HIS A 44 1.999 4.983 -6.720 1.00 0.00 C ATOM 774 O HIS A 44 1.950 5.958 -7.478 1.00 0.00 O ATOM 775 CB HIS A 44 1.889 2.751 -8.082 1.00 0.00 C ATOM 776 CG HIS A 44 3.228 2.189 -7.608 1.00 0.00 C ATOM 777 ND1 HIS A 44 4.419 2.873 -7.734 1.00 0.00 N ATOM 778 CD2 HIS A 44 3.423 1.029 -6.839 1.00 0.00 C ATOM 779 CE1 HIS A 44 5.236 2.082 -6.977 1.00 0.00 C ATOM 780 NE2 HIS A 44 4.741 0.937 -6.407 1.00 0.00 N ATOM 0 H HIS A 44 -0.350 3.597 -8.533 1.00 0.00 H new ATOM 0 HA HIS A 44 1.102 3.168 -6.100 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.224 1.920 -8.319 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.049 3.305 -9.007 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.653 0.306 -6.614 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.269 2.358 -6.828 1.00 0.00 H new ATOM 0 HE2 HIS A 44 5.203 0.229 -5.836 1.00 0.00 H new ATOM 788 N GLU A 45 2.710 5.019 -5.575 1.00 0.00 N ATOM 789 CA GLU A 45 3.376 6.262 -5.084 1.00 0.00 C ATOM 790 C GLU A 45 4.661 6.617 -5.916 1.00 0.00 C ATOM 791 O GLU A 45 5.777 6.184 -5.616 1.00 0.00 O ATOM 792 CB GLU A 45 3.600 6.112 -3.555 1.00 0.00 C ATOM 793 CG GLU A 45 3.891 7.458 -2.851 1.00 0.00 C ATOM 794 CD GLU A 45 3.981 7.363 -1.329 1.00 0.00 C ATOM 795 OE1 GLU A 45 2.995 7.288 -0.600 1.00 0.00 O ATOM 796 OE2 GLU A 45 5.272 7.391 -0.882 1.00 0.00 O ATOM 0 H GLU A 45 2.843 4.210 -4.969 1.00 0.00 H new ATOM 0 HA GLU A 45 2.738 7.132 -5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.716 5.658 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.432 5.430 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.829 7.860 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.108 8.169 -3.114 1.00 0.00 H new ATOM 803 N SER A 46 4.435 7.367 -7.007 1.00 0.00 N ATOM 804 CA SER A 46 5.287 7.442 -8.244 1.00 0.00 C ATOM 805 C SER A 46 4.436 7.855 -9.504 1.00 0.00 C ATOM 806 O SER A 46 4.977 8.525 -10.386 1.00 0.00 O ATOM 807 CB SER A 46 6.126 6.189 -8.629 1.00 0.00 C ATOM 808 OG SER A 46 7.135 5.919 -7.660 1.00 0.00 O ATOM 0 H SER A 46 3.618 7.974 -7.071 1.00 0.00 H new ATOM 0 HA SER A 46 6.014 8.201 -7.956 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.469 5.324 -8.722 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.588 6.345 -9.604 1.00 0.00 H new ATOM 0 HG SER A 46 6.715 5.640 -6.819 1.00 0.00 H new ATOM 814 N ALA A 47 3.141 7.463 -9.620 1.00 0.00 N ATOM 815 CA ALA A 47 2.234 7.872 -10.723 1.00 0.00 C ATOM 816 C ALA A 47 2.086 9.410 -10.935 1.00 0.00 C ATOM 817 O ALA A 47 1.797 10.165 -10.001 1.00 0.00 O ATOM 818 CB ALA A 47 0.886 7.173 -10.459 1.00 0.00 C ATOM 0 H ALA A 47 2.693 6.847 -8.942 1.00 0.00 H new ATOM 0 HA ALA A 47 2.671 7.558 -11.671 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.178 7.440 -11.244 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.031 6.093 -10.453 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.494 7.491 -9.493 1.00 0.00 H new ATOM 824 N VAL A 48 2.340 9.861 -12.170 1.00 0.00 N ATOM 825 CA VAL A 48 2.400 11.313 -12.524 1.00 0.00 C ATOM 826 C VAL A 48 1.717 11.564 -13.910 1.00 0.00 C ATOM 827 O VAL A 48 1.516 10.649 -14.717 1.00 0.00 O ATOM 828 CB VAL A 48 3.856 11.907 -12.444 1.00 0.00 C ATOM 829 CG1 VAL A 48 4.365 12.075 -10.996 1.00 0.00 C ATOM 830 CG2 VAL A 48 4.923 11.160 -13.279 1.00 0.00 C ATOM 0 H VAL A 48 2.512 9.242 -12.962 1.00 0.00 H new ATOM 0 HA VAL A 48 1.834 11.860 -11.769 1.00 0.00 H new ATOM 0 HB VAL A 48 3.732 12.890 -12.898 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.373 12.488 -11.010 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.704 12.751 -10.454 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.378 11.105 -10.500 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.890 11.648 -13.155 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.992 10.126 -12.940 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.640 11.178 -14.331 1.00 0.00 H new ATOM 840 N LYS A 49 1.345 12.830 -14.182 1.00 0.00 N ATOM 841 CA LYS A 49 0.517 13.195 -15.363 1.00 0.00 C ATOM 842 C LYS A 49 1.320 13.132 -16.708 1.00 0.00 C ATOM 843 O LYS A 49 2.105 14.033 -17.024 1.00 0.00 O ATOM 844 CB LYS A 49 -0.151 14.587 -15.164 1.00 0.00 C ATOM 845 CG LYS A 49 -1.086 14.789 -13.942 1.00 0.00 C ATOM 846 CD LYS A 49 -0.406 15.338 -12.669 1.00 0.00 C ATOM 847 CE LYS A 49 -0.133 16.853 -12.710 1.00 0.00 C ATOM 848 NZ LYS A 49 0.642 17.232 -11.514 1.00 0.00 N ATOM 0 H LYS A 49 1.604 13.626 -13.599 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.271 12.446 -15.441 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.644 15.330 -15.101 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.726 14.811 -16.063 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.887 15.471 -14.228 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.552 13.833 -13.701 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.036 15.116 -11.808 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.537 14.813 -12.518 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.418 17.112 -13.614 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.073 17.405 -12.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.121 17.954 -10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.788 16.394 -10.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.564 17.615 -11.805 1.00 0.00 H new ATOM 861 N VAL A 50 1.128 12.059 -17.500 1.00 0.00 N ATOM 862 CA VAL A 50 1.925 11.816 -18.740 1.00 0.00 C ATOM 863 C VAL A 50 1.326 12.600 -19.953 1.00 0.00 C ATOM 864 O VAL A 50 0.206 12.344 -20.405 1.00 0.00 O ATOM 865 CB VAL A 50 2.165 10.286 -18.985 1.00 0.00 C ATOM 866 CG1 VAL A 50 0.931 9.457 -19.414 1.00 0.00 C ATOM 867 CG2 VAL A 50 3.297 10.031 -20.006 1.00 0.00 C ATOM 0 H VAL A 50 0.429 11.340 -17.311 1.00 0.00 H new ATOM 0 HA VAL A 50 2.927 12.225 -18.606 1.00 0.00 H new ATOM 0 HB VAL A 50 2.443 9.936 -17.991 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.222 8.416 -19.553 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.164 9.519 -18.642 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.536 9.851 -20.350 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.428 8.958 -20.144 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.037 10.490 -20.960 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.226 10.465 -19.635 1.00 0.00 H new ATOM 877 N ASP A 51 2.080 13.581 -20.468 1.00 0.00 N ATOM 878 CA ASP A 51 1.711 14.337 -21.695 1.00 0.00 C ATOM 879 C ASP A 51 2.972 14.643 -22.569 1.00 0.00 C ATOM 880 O ASP A 51 4.117 14.432 -22.150 1.00 0.00 O ATOM 881 CB ASP A 51 0.823 15.556 -21.303 1.00 0.00 C ATOM 882 CG ASP A 51 1.419 16.692 -20.469 1.00 0.00 C ATOM 883 OD1 ASP A 51 1.792 16.286 -19.219 1.00 0.00 O ATOM 884 OD2 ASP A 51 1.502 17.847 -20.878 1.00 0.00 O ATOM 0 H ASP A 51 2.963 13.880 -20.054 1.00 0.00 H new ATOM 0 HA ASP A 51 1.090 13.735 -22.359 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.445 15.994 -22.227 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.038 15.169 -20.758 1.00 0.00 H new ATOM 889 N LEU A 52 2.778 15.126 -23.812 1.00 0.00 N ATOM 890 CA LEU A 52 3.916 15.476 -24.715 1.00 0.00 C ATOM 891 C LEU A 52 4.479 16.894 -24.359 1.00 0.00 C ATOM 892 O LEU A 52 4.113 17.911 -24.955 1.00 0.00 O ATOM 893 CB LEU A 52 3.455 15.252 -26.187 1.00 0.00 C ATOM 894 CG LEU A 52 4.583 15.143 -27.255 1.00 0.00 C ATOM 895 CD1 LEU A 52 4.133 14.274 -28.445 1.00 0.00 C ATOM 896 CD2 LEU A 52 5.034 16.512 -27.795 1.00 0.00 C ATOM 0 H LEU A 52 1.857 15.285 -24.220 1.00 0.00 H new ATOM 0 HA LEU A 52 4.779 14.824 -24.576 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.860 14.340 -26.224 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.796 16.074 -26.468 1.00 0.00 H new ATOM 0 HG LEU A 52 5.428 14.681 -26.744 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.939 14.214 -29.177 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.888 13.272 -28.092 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.254 14.720 -28.909 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.821 16.370 -28.535 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.187 17.017 -28.259 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.414 17.120 -26.974 1.00 0.00 H new ATOM 908 N ASN A 53 5.349 16.937 -23.333 1.00 0.00 N ATOM 909 CA ASN A 53 5.861 18.203 -22.745 1.00 0.00 C ATOM 910 C ASN A 53 7.317 18.001 -22.216 1.00 0.00 C ATOM 911 O ASN A 53 7.557 17.177 -21.327 1.00 0.00 O ATOM 912 CB ASN A 53 4.885 18.747 -21.654 1.00 0.00 C ATOM 913 CG ASN A 53 4.728 17.950 -20.342 1.00 0.00 C ATOM 914 OD1 ASN A 53 4.669 16.726 -20.307 1.00 0.00 O ATOM 915 ND2 ASN A 53 4.632 18.610 -19.214 1.00 0.00 N ATOM 0 H ASN A 53 5.720 16.100 -22.884 1.00 0.00 H new ATOM 0 HA ASN A 53 5.906 18.967 -23.521 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.208 19.755 -21.393 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.898 18.837 -22.107 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.511 18.105 -18.336 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.678 19.629 -19.214 1.00 0.00 H new ATOM 922 N ARG A 54 8.295 18.772 -22.723 1.00 0.00 N ATOM 923 CA ARG A 54 9.646 18.836 -22.099 1.00 0.00 C ATOM 924 C ARG A 54 10.277 20.253 -22.339 1.00 0.00 C ATOM 925 O ARG A 54 11.004 20.405 -23.328 1.00 0.00 O ATOM 926 CB ARG A 54 10.545 17.658 -22.586 1.00 0.00 C ATOM 927 CG ARG A 54 11.682 17.297 -21.594 1.00 0.00 C ATOM 928 CD ARG A 54 12.877 16.517 -22.180 1.00 0.00 C ATOM 929 NE ARG A 54 12.524 15.156 -22.685 1.00 0.00 N ATOM 930 CZ ARG A 54 12.404 14.809 -23.969 1.00 0.00 C ATOM 931 NH1 ARG A 54 12.465 15.663 -24.962 1.00 0.00 N ATOM 932 NH2 ARG A 54 12.211 13.554 -24.255 1.00 0.00 N ATOM 0 H ARG A 54 8.187 19.356 -23.552 1.00 0.00 H new ATOM 0 HA ARG A 54 9.559 18.708 -21.020 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.922 16.779 -22.748 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.983 17.920 -23.549 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.059 18.221 -21.154 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.254 16.709 -20.782 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.310 17.095 -22.996 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.646 16.421 -21.414 1.00 0.00 H new ATOM 0 HE ARG A 54 12.360 14.429 -21.989 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.612 16.655 -24.774 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.366 15.336 -25.923 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.155 12.863 -23.507 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.116 13.261 -25.227 1.00 0.00 H new ATOM 946 N PRO A 55 10.065 21.307 -21.492 1.00 0.00 N ATOM 947 CA PRO A 55 10.718 22.634 -21.693 1.00 0.00 C ATOM 948 C PRO A 55 12.256 22.662 -21.394 1.00 0.00 C ATOM 949 O PRO A 55 13.044 22.986 -22.285 1.00 0.00 O ATOM 950 CB PRO A 55 9.834 23.560 -20.831 1.00 0.00 C ATOM 951 CG PRO A 55 9.245 22.669 -19.733 1.00 0.00 C ATOM 952 CD PRO A 55 9.080 21.295 -20.388 1.00 0.00 C ATOM 0 HA PRO A 55 10.752 22.954 -22.735 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.420 24.373 -20.403 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.046 24.016 -21.429 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.907 22.618 -18.868 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.289 23.056 -19.380 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.281 20.489 -19.682 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.066 21.148 -20.759 1.00 0.00 H new ATOM 960 N VAL A 56 12.680 22.301 -20.170 1.00 0.00 N ATOM 961 CA VAL A 56 14.117 22.115 -19.809 1.00 0.00 C ATOM 962 C VAL A 56 14.232 21.073 -18.641 1.00 0.00 C ATOM 963 O VAL A 56 13.407 21.045 -17.720 1.00 0.00 O ATOM 964 CB VAL A 56 14.837 23.487 -19.543 1.00 0.00 C ATOM 965 CG1 VAL A 56 14.377 24.243 -18.275 1.00 0.00 C ATOM 966 CG2 VAL A 56 16.376 23.364 -19.524 1.00 0.00 C ATOM 0 H VAL A 56 12.042 22.127 -19.393 1.00 0.00 H new ATOM 0 HA VAL A 56 14.660 21.695 -20.655 1.00 0.00 H new ATOM 0 HB VAL A 56 14.525 24.085 -20.399 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.935 25.175 -18.185 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.312 24.463 -18.349 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.559 23.624 -17.396 1.00 0.00 H new ATOM 0 HG21 VAL A 56 16.817 24.343 -19.336 1.00 0.00 H new ATOM 0 HG22 VAL A 56 16.676 22.674 -18.736 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.723 22.989 -20.487 1.00 0.00 H new ATOM 976 N THR A 57 15.273 20.219 -18.669 1.00 0.00 N ATOM 977 CA THR A 57 15.585 19.286 -17.542 1.00 0.00 C ATOM 978 C THR A 57 16.386 19.987 -16.387 1.00 0.00 C ATOM 979 O THR A 57 17.356 20.713 -16.633 1.00 0.00 O ATOM 980 CB THR A 57 16.258 17.990 -18.094 1.00 0.00 C ATOM 981 OG1 THR A 57 16.341 17.014 -17.059 1.00 0.00 O ATOM 982 CG2 THR A 57 17.678 18.132 -18.672 1.00 0.00 C ATOM 0 H THR A 57 15.919 20.147 -19.455 1.00 0.00 H new ATOM 0 HA THR A 57 14.652 18.980 -17.069 1.00 0.00 H new ATOM 0 HB THR A 57 15.610 17.710 -18.925 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.762 16.201 -17.409 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.028 17.160 -19.020 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.663 18.832 -19.507 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.350 18.504 -17.899 1.00 0.00 H new ATOM 990 N GLY A 58 15.967 19.768 -15.127 1.00 0.00 N ATOM 991 CA GLY A 58 16.629 20.371 -13.938 1.00 0.00 C ATOM 992 C GLY A 58 17.612 19.426 -13.211 1.00 0.00 C ATOM 993 O GLY A 58 17.240 18.312 -12.834 1.00 0.00 O ATOM 0 H GLY A 58 15.169 19.176 -14.897 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.167 21.266 -14.251 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.862 20.691 -13.233 1.00 0.00 H new ATOM 997 N SER A 59 18.854 19.885 -12.989 1.00 0.00 N ATOM 998 CA SER A 59 19.905 19.091 -12.284 1.00 0.00 C ATOM 999 C SER A 59 20.745 19.959 -11.285 1.00 0.00 C ATOM 1000 O SER A 59 20.868 21.180 -11.435 1.00 0.00 O ATOM 1001 CB SER A 59 20.789 18.410 -13.358 1.00 0.00 C ATOM 1002 OG SER A 59 21.632 17.417 -12.773 1.00 0.00 O ATOM 0 H SER A 59 19.169 20.809 -13.286 1.00 0.00 H new ATOM 0 HA SER A 59 19.431 18.331 -11.663 1.00 0.00 H new ATOM 0 HB2 SER A 59 20.156 17.953 -14.118 1.00 0.00 H new ATOM 0 HB3 SER A 59 21.400 19.160 -13.861 1.00 0.00 H new ATOM 0 HG SER A 59 22.179 17.000 -13.471 1.00 0.00 H new ATOM 1008 N LEU A 60 21.326 19.313 -10.256 1.00 0.00 N ATOM 1009 CA LEU A 60 22.162 19.989 -9.219 1.00 0.00 C ATOM 1010 C LEU A 60 23.504 19.210 -9.023 1.00 0.00 C ATOM 1011 O LEU A 60 23.503 17.997 -8.789 1.00 0.00 O ATOM 1012 CB LEU A 60 21.305 20.121 -7.923 1.00 0.00 C ATOM 1013 CG LEU A 60 21.928 20.918 -6.738 1.00 0.00 C ATOM 1014 CD1 LEU A 60 20.838 21.626 -5.914 1.00 0.00 C ATOM 1015 CD2 LEU A 60 22.749 20.024 -5.787 1.00 0.00 C ATOM 0 H LEU A 60 21.235 18.307 -10.111 1.00 0.00 H new ATOM 0 HA LEU A 60 22.454 20.994 -9.523 1.00 0.00 H new ATOM 0 HB2 LEU A 60 20.360 20.594 -8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 60 21.070 19.117 -7.569 1.00 0.00 H new ATOM 0 HG LEU A 60 22.596 21.650 -7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 60 21.301 22.175 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 60 20.292 22.321 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 60 20.148 20.885 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 60 23.159 20.631 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.105 19.251 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 60 23.564 19.557 -6.340 1.00 0.00 H new ATOM 1027 N LEU A 61 24.645 19.924 -9.082 1.00 0.00 N ATOM 1028 CA LEU A 61 25.993 19.343 -8.811 1.00 0.00 C ATOM 1029 C LEU A 61 26.727 20.147 -7.687 1.00 0.00 C ATOM 1030 O LEU A 61 26.796 21.380 -7.720 1.00 0.00 O ATOM 1031 CB LEU A 61 26.787 19.311 -10.150 1.00 0.00 C ATOM 1032 CG LEU A 61 28.216 18.699 -10.118 1.00 0.00 C ATOM 1033 CD1 LEU A 61 28.231 17.207 -9.738 1.00 0.00 C ATOM 1034 CD2 LEU A 61 28.899 18.878 -11.484 1.00 0.00 C ATOM 0 H LEU A 61 24.668 20.916 -9.317 1.00 0.00 H new ATOM 0 HA LEU A 61 25.905 18.323 -8.437 1.00 0.00 H new ATOM 0 HB2 LEU A 61 26.198 18.754 -10.878 1.00 0.00 H new ATOM 0 HB3 LEU A 61 26.866 20.333 -10.520 1.00 0.00 H new ATOM 0 HG LEU A 61 28.761 19.237 -9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 61 29.258 16.843 -9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 61 27.797 17.080 -8.746 1.00 0.00 H new ATOM 0 HD13 LEU A 61 27.648 16.641 -10.464 1.00 0.00 H new ATOM 0 HD21 LEU A 61 29.899 18.446 -11.450 1.00 0.00 H new ATOM 0 HD22 LEU A 61 28.312 18.375 -12.253 1.00 0.00 H new ATOM 0 HD23 LEU A 61 28.970 19.940 -11.719 1.00 0.00 H new ATOM 1046 N LYS A 62 27.311 19.425 -6.715 1.00 0.00 N ATOM 1047 CA LYS A 62 28.121 20.021 -5.614 1.00 0.00 C ATOM 1048 C LYS A 62 29.644 19.717 -5.819 1.00 0.00 C ATOM 1049 O LYS A 62 30.012 18.586 -6.160 1.00 0.00 O ATOM 1050 CB LYS A 62 27.583 19.425 -4.278 1.00 0.00 C ATOM 1051 CG LYS A 62 27.708 20.326 -3.029 1.00 0.00 C ATOM 1052 CD LYS A 62 26.691 21.495 -3.018 1.00 0.00 C ATOM 1053 CE LYS A 62 26.463 22.144 -1.641 1.00 0.00 C ATOM 1054 NZ LYS A 62 25.608 21.296 -0.782 1.00 0.00 N ATOM 0 H LYS A 62 27.240 18.409 -6.662 1.00 0.00 H new ATOM 0 HA LYS A 62 28.028 21.107 -5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 62 26.531 19.173 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.112 18.492 -4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 62 27.565 19.719 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 62 28.719 20.731 -2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 62 27.034 22.262 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 62 25.735 21.129 -3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 62 27.423 22.310 -1.152 1.00 0.00 H new ATOM 0 HE3 LYS A 62 25.997 23.121 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 25.473 21.760 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 24.684 21.158 -1.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 26.065 20.373 -0.641 1.00 0.00 H new ATOM 1067 N ARG A 63 30.537 20.702 -5.591 1.00 0.00 N ATOM 1068 CA ARG A 63 32.013 20.487 -5.683 1.00 0.00 C ATOM 1069 C ARG A 63 32.747 21.017 -4.410 1.00 0.00 C ATOM 1070 O ARG A 63 32.705 22.212 -4.101 1.00 0.00 O ATOM 1071 CB ARG A 63 32.562 21.124 -6.992 1.00 0.00 C ATOM 1072 CG ARG A 63 34.054 20.794 -7.300 1.00 0.00 C ATOM 1073 CD ARG A 63 35.018 22.003 -7.259 1.00 0.00 C ATOM 1074 NE ARG A 63 35.140 22.666 -8.592 1.00 0.00 N ATOM 1075 CZ ARG A 63 35.999 22.319 -9.556 1.00 0.00 C ATOM 1076 NH1 ARG A 63 36.864 21.341 -9.439 1.00 0.00 N ATOM 1077 NH2 ARG A 63 35.974 22.980 -10.677 1.00 0.00 N ATOM 0 H ARG A 63 30.272 21.655 -5.342 1.00 0.00 H new ATOM 0 HA ARG A 63 32.211 19.416 -5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 63 31.949 20.788 -7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 63 32.449 22.206 -6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 63 34.400 20.049 -6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 63 34.112 20.337 -8.288 1.00 0.00 H new ATOM 0 HD2 ARG A 63 34.662 22.726 -6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 63 36.002 21.671 -6.928 1.00 0.00 H new ATOM 0 HE ARG A 63 34.515 23.449 -8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 63 36.906 20.798 -8.577 1.00 0.00 H new ATOM 0 HH12 ARG A 63 37.495 21.123 -10.210 1.00 0.00 H new ATOM 0 HH21 ARG A 63 35.309 23.743 -10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 63 36.619 22.735 -11.428 1.00 0.00 H new ATOM 1091 N ILE A 64 33.485 20.126 -3.722 1.00 0.00 N ATOM 1092 CA ILE A 64 34.418 20.512 -2.620 1.00 0.00 C ATOM 1093 C ILE A 64 35.802 21.020 -3.169 1.00 0.00 C ATOM 1094 O ILE A 64 36.315 20.529 -4.182 1.00 0.00 O ATOM 1095 CB ILE A 64 34.498 19.332 -1.580 1.00 0.00 C ATOM 1096 CG1 ILE A 64 35.027 19.738 -0.175 1.00 0.00 C ATOM 1097 CG2 ILE A 64 35.298 18.095 -2.070 1.00 0.00 C ATOM 1098 CD1 ILE A 64 34.131 20.721 0.602 1.00 0.00 C ATOM 0 H ILE A 64 33.460 19.123 -3.904 1.00 0.00 H new ATOM 0 HA ILE A 64 34.031 21.377 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 64 33.448 19.053 -1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 64 35.154 18.836 0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 64 36.014 20.185 -0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 64 35.302 17.332 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 64 34.832 17.693 -2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 64 36.323 18.390 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 64 34.585 20.942 1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 64 34.023 21.644 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 64 33.149 20.274 0.757 1.00 0.00 H new ATOM 1110 N ARG A 65 36.400 22.015 -2.489 1.00 0.00 N ATOM 1111 CA ARG A 65 37.728 22.588 -2.860 1.00 0.00 C ATOM 1112 C ARG A 65 38.711 22.540 -1.646 1.00 0.00 C ATOM 1113 O ARG A 65 38.430 23.101 -0.582 1.00 0.00 O ATOM 1114 CB ARG A 65 37.562 24.011 -3.474 1.00 0.00 C ATOM 1115 CG ARG A 65 36.898 25.107 -2.594 1.00 0.00 C ATOM 1116 CD ARG A 65 36.712 26.469 -3.298 1.00 0.00 C ATOM 1117 NE ARG A 65 37.947 27.308 -3.274 1.00 0.00 N ATOM 1118 CZ ARG A 65 38.289 28.160 -2.303 1.00 0.00 C ATOM 1119 NH1 ARG A 65 37.607 28.305 -1.193 1.00 0.00 N ATOM 1120 NH2 ARG A 65 39.359 28.884 -2.462 1.00 0.00 N ATOM 0 H ARG A 65 35.985 22.451 -1.666 1.00 0.00 H new ATOM 0 HA ARG A 65 38.180 21.973 -3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 65 38.550 24.368 -3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 65 36.976 23.915 -4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 65 35.924 24.748 -2.262 1.00 0.00 H new ATOM 0 HG3 ARG A 65 37.504 25.254 -1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 65 36.414 26.300 -4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 65 35.899 27.013 -2.817 1.00 0.00 H new ATOM 0 HE ARG A 65 38.584 27.224 -4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 65 36.766 27.750 -1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 65 37.918 28.972 -0.487 1.00 0.00 H new ATOM 0 HH21 ARG A 65 39.914 28.793 -3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 65 39.642 29.542 -1.736 1.00 0.00 H new ATOM 1134 N ASN A 66 39.871 21.878 -1.812 1.00 0.00 N ATOM 1135 CA ASN A 66 40.940 21.837 -0.771 1.00 0.00 C ATOM 1136 C ASN A 66 41.899 23.082 -0.799 1.00 0.00 C ATOM 1137 O ASN A 66 42.057 23.753 -1.825 1.00 0.00 O ATOM 1138 CB ASN A 66 41.662 20.458 -0.850 1.00 0.00 C ATOM 1139 CG ASN A 66 42.526 20.169 -2.088 1.00 0.00 C ATOM 1140 OD1 ASN A 66 43.658 20.620 -2.206 1.00 0.00 O ATOM 1141 ND2 ASN A 66 42.041 19.403 -3.036 1.00 0.00 N ATOM 0 H ASN A 66 40.102 21.358 -2.659 1.00 0.00 H new ATOM 0 HA ASN A 66 40.481 21.921 0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 66 42.297 20.362 0.031 1.00 0.00 H new ATOM 0 HB3 ASN A 66 40.903 19.679 -0.782 1.00 0.00 H new ATOM 0 HD21 ASN A 66 42.606 19.190 -3.858 1.00 0.00 H new ATOM 0 HD22 ASN A 66 41.099 19.020 -2.951 1.00 0.00 H new ATOM 1148 N GLY A 67 42.537 23.382 0.346 1.00 0.00 N ATOM 1149 CA GLY A 67 43.486 24.523 0.469 1.00 0.00 C ATOM 1150 C GLY A 67 44.578 24.304 1.544 1.00 0.00 C ATOM 1151 O GLY A 67 44.341 23.652 2.565 1.00 0.00 O ATOM 0 H GLY A 67 42.417 22.852 1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 67 43.965 24.692 -0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 67 42.926 25.427 0.710 1.00 0.00 H new ATOM 1155 N LYS A 68 45.785 24.853 1.313 1.00 0.00 N ATOM 1156 CA LYS A 68 46.975 24.585 2.179 1.00 0.00 C ATOM 1157 C LYS A 68 47.887 25.854 2.289 1.00 0.00 C ATOM 1158 O LYS A 68 48.194 26.511 1.289 1.00 0.00 O ATOM 1159 CB LYS A 68 47.738 23.342 1.618 1.00 0.00 C ATOM 1160 CG LYS A 68 48.378 22.391 2.658 1.00 0.00 C ATOM 1161 CD LYS A 68 49.667 22.903 3.330 1.00 0.00 C ATOM 1162 CE LYS A 68 50.281 21.860 4.276 1.00 0.00 C ATOM 1163 NZ LYS A 68 51.496 22.411 4.904 1.00 0.00 N ATOM 0 H LYS A 68 45.974 25.487 0.536 1.00 0.00 H new ATOM 0 HA LYS A 68 46.653 24.358 3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 68 47.044 22.763 1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 68 48.525 23.698 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 68 47.642 22.185 3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 68 48.598 21.442 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 68 50.394 23.168 2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 68 49.447 23.813 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 68 49.558 21.581 5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 68 50.525 20.953 3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 51.908 21.702 5.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 52.187 22.656 4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 51.250 23.264 5.446 1.00 0.00 H new ATOM 1176 N LYS A 69 48.339 26.186 3.512 1.00 0.00 N ATOM 1177 CA LYS A 69 49.281 27.315 3.768 1.00 0.00 C ATOM 1178 C LYS A 69 50.772 27.055 3.344 1.00 0.00 C ATOM 1179 O LYS A 69 51.278 25.931 3.439 1.00 0.00 O ATOM 1180 CB LYS A 69 49.142 27.688 5.275 1.00 0.00 C ATOM 1181 CG LYS A 69 49.762 26.702 6.309 1.00 0.00 C ATOM 1182 CD LYS A 69 48.925 26.463 7.581 1.00 0.00 C ATOM 1183 CE LYS A 69 47.705 25.556 7.339 1.00 0.00 C ATOM 1184 NZ LYS A 69 47.020 25.279 8.616 1.00 0.00 N ATOM 0 H LYS A 69 48.067 25.685 4.358 1.00 0.00 H new ATOM 0 HA LYS A 69 49.002 28.150 3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 69 49.598 28.667 5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 69 48.081 27.793 5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 69 49.926 25.743 5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 69 50.741 27.080 6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 69 49.558 26.014 8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 69 48.585 27.423 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 69 47.016 26.037 6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 69 48.023 24.621 6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 46.198 24.666 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 47.677 24.802 9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 46.702 26.174 9.040 1.00 0.00 H new ATOM 1197 N ALA A 70 51.480 28.119 2.921 1.00 0.00 N ATOM 1198 CA ALA A 70 52.922 28.054 2.558 1.00 0.00 C ATOM 1199 C ALA A 70 53.795 29.007 3.437 1.00 0.00 C ATOM 1200 O ALA A 70 53.447 30.178 3.626 1.00 0.00 O ATOM 1201 CB ALA A 70 53.023 28.430 1.066 1.00 0.00 C ATOM 0 H ALA A 70 51.076 29.050 2.819 1.00 0.00 H new ATOM 0 HA ALA A 70 53.308 27.051 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 70 54.066 28.396 0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 70 52.443 27.724 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 70 52.632 29.436 0.917 1.00 0.00 H new ATOM 1207 N LYS A 71 54.955 28.525 3.931 1.00 0.00 N ATOM 1208 CA LYS A 71 55.970 29.398 4.595 1.00 0.00 C ATOM 1209 C LYS A 71 57.012 29.948 3.558 1.00 0.00 C ATOM 1210 O LYS A 71 56.928 31.118 3.179 1.00 0.00 O ATOM 1211 CB LYS A 71 56.579 28.656 5.824 1.00 0.00 C ATOM 1212 CG LYS A 71 57.451 29.559 6.739 1.00 0.00 C ATOM 1213 CD LYS A 71 58.513 28.822 7.581 1.00 0.00 C ATOM 1214 CE LYS A 71 57.952 27.953 8.717 1.00 0.00 C ATOM 1215 NZ LYS A 71 59.069 27.382 9.497 1.00 0.00 N ATOM 0 H LYS A 71 55.220 27.541 3.887 1.00 0.00 H new ATOM 0 HA LYS A 71 55.496 30.294 4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 71 55.769 28.230 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 71 57.186 27.823 5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 71 57.955 30.298 6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 71 56.793 30.106 7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 71 59.105 28.190 6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 71 59.192 29.560 8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 71 57.311 28.551 9.364 1.00 0.00 H new ATOM 0 HE3 LYS A 71 57.335 27.154 8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 58.690 26.794 10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 59.664 26.798 8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 59.641 28.152 9.900 1.00 0.00 H new ATOM 1228 N SER A 72 58.000 29.136 3.125 1.00 0.00 N ATOM 1229 CA SER A 72 59.085 29.587 2.210 1.00 0.00 C ATOM 1230 C SER A 72 59.609 28.404 1.360 1.00 0.00 C ATOM 1231 O SER A 72 60.028 27.372 1.891 1.00 0.00 O ATOM 1232 CB SER A 72 60.215 30.262 3.024 1.00 0.00 C ATOM 1233 OG SER A 72 61.207 30.803 2.151 1.00 0.00 O ATOM 1234 OXT SER A 72 59.615 28.482 0.131 1.00 0.00 O ATOM 0 H SER A 72 58.073 28.155 3.394 1.00 0.00 H new ATOM 0 HA SER A 72 58.686 30.327 1.516 1.00 0.00 H new ATOM 0 HB2 SER A 72 59.799 31.054 3.646 1.00 0.00 H new ATOM 0 HB3 SER A 72 60.671 29.535 3.696 1.00 0.00 H new ATOM 0 HG SER A 72 61.913 31.228 2.682 1.00 0.00 H new TER 1240 SER A 72