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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.00777 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.439! C(o=-0.44!,f=-2.9!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -52:sc= 0.0156 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= 0.0257 K(o=0.026,f=-0.96) USER MOD Single : A 46 SER OG : rot -35:sc= 1.1 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) 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=-0.48) 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 0.937 -1.708 -0.283 1.00 0.00 N ATOM 2 CA MET A 1 1.339 -0.924 -1.482 1.00 0.00 C ATOM 3 C MET A 1 0.201 0.004 -2.017 1.00 0.00 C ATOM 4 O MET A 1 -0.990 -0.200 -1.761 1.00 0.00 O ATOM 5 CB MET A 1 1.877 -1.893 -2.575 1.00 0.00 C ATOM 6 CG MET A 1 3.282 -2.474 -2.315 1.00 0.00 C ATOM 7 SD MET A 1 4.533 -1.180 -2.487 1.00 0.00 S ATOM 8 CE MET A 1 5.064 -0.957 -0.780 1.00 0.00 C ATOM 0 H1 MET A 1 1.458 -1.363 0.548 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.084 -1.597 -0.122 1.00 0.00 H new ATOM 0 H3 MET A 1 1.156 -2.713 -0.436 1.00 0.00 H new ATOM 0 HA MET A 1 2.139 -0.243 -1.190 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.175 -2.720 -2.680 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.892 -1.365 -3.528 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.327 -2.903 -1.314 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.485 -3.282 -3.017 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.835 -0.187 -0.736 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.213 -0.653 -0.171 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.466 -1.895 -0.399 1.00 0.00 H new ATOM 18 N TYR A 2 0.604 1.024 -2.806 1.00 0.00 N ATOM 19 CA TYR A 2 -0.321 1.967 -3.511 1.00 0.00 C ATOM 20 C TYR A 2 -0.881 3.094 -2.568 1.00 0.00 C ATOM 21 O TYR A 2 -1.385 2.861 -1.466 1.00 0.00 O ATOM 22 CB TYR A 2 -1.452 1.301 -4.356 1.00 0.00 C ATOM 23 CG TYR A 2 -1.024 0.276 -5.423 1.00 0.00 C ATOM 24 CD1 TYR A 2 -0.539 0.697 -6.664 1.00 0.00 C ATOM 25 CD2 TYR A 2 -1.117 -1.094 -5.154 1.00 0.00 C ATOM 26 CE1 TYR A 2 -0.126 -0.234 -7.614 1.00 0.00 C ATOM 27 CE2 TYR A 2 -0.707 -2.025 -6.105 1.00 0.00 C ATOM 28 CZ TYR A 2 -0.208 -1.597 -7.329 1.00 0.00 C ATOM 29 OH TYR A 2 0.180 -2.520 -8.262 1.00 0.00 O ATOM 0 H TYR A 2 1.589 1.226 -2.979 1.00 0.00 H new ATOM 0 HA TYR A 2 0.325 2.441 -4.250 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -2.140 0.807 -3.670 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -2.012 2.093 -4.854 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -0.484 1.752 -6.888 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -1.508 -1.431 -4.205 1.00 0.00 H new ATOM 0 HE1 TYR A 2 0.256 0.098 -8.568 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -0.777 -3.081 -5.891 1.00 0.00 H new ATOM 0 HH TYR A 2 0.058 -3.422 -7.900 1.00 0.00 H new ATOM 39 N LEU A 3 -0.796 4.337 -3.052 1.00 0.00 N ATOM 40 CA LEU A 3 -1.345 5.547 -2.398 1.00 0.00 C ATOM 41 C LEU A 3 -2.847 5.807 -2.784 1.00 0.00 C ATOM 42 O LEU A 3 -3.253 5.671 -3.942 1.00 0.00 O ATOM 43 CB LEU A 3 -0.390 6.682 -2.884 1.00 0.00 C ATOM 44 CG LEU A 3 -0.542 8.069 -2.218 1.00 0.00 C ATOM 45 CD1 LEU A 3 -0.138 8.037 -0.730 1.00 0.00 C ATOM 46 CD2 LEU A 3 0.337 9.104 -2.944 1.00 0.00 C ATOM 0 H LEU A 3 -0.331 4.544 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.375 5.465 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.636 6.347 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.532 6.806 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.594 8.346 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.259 9.031 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.773 7.330 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.904 7.728 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.222 10.077 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.381 8.795 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.031 9.173 -3.988 1.00 0.00 H new ATOM 58 N THR A 4 -3.672 6.233 -1.814 1.00 0.00 N ATOM 59 CA THR A 4 -5.119 6.565 -2.038 1.00 0.00 C ATOM 60 C THR A 4 -5.340 7.815 -2.969 1.00 0.00 C ATOM 61 O THR A 4 -4.526 8.738 -2.962 1.00 0.00 O ATOM 62 CB THR A 4 -5.756 6.757 -0.619 1.00 0.00 C ATOM 63 OG1 THR A 4 -5.526 5.621 0.211 1.00 0.00 O ATOM 64 CG2 THR A 4 -7.277 6.968 -0.584 1.00 0.00 C ATOM 0 H THR A 4 -3.371 6.362 -0.848 1.00 0.00 H new ATOM 0 HA THR A 4 -5.606 5.753 -2.579 1.00 0.00 H new ATOM 0 HB THR A 4 -5.265 7.666 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.933 5.770 1.090 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.604 7.089 0.449 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.534 7.862 -1.153 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.774 6.103 -1.023 1.00 0.00 H new ATOM 72 N LEU A 5 -6.457 7.888 -3.731 1.00 0.00 N ATOM 73 CA LEU A 5 -6.785 9.065 -4.613 1.00 0.00 C ATOM 74 C LEU A 5 -6.748 10.475 -3.922 1.00 0.00 C ATOM 75 O LEU A 5 -6.072 11.386 -4.411 1.00 0.00 O ATOM 76 CB LEU A 5 -8.128 8.744 -5.347 1.00 0.00 C ATOM 77 CG LEU A 5 -8.549 9.629 -6.562 1.00 0.00 C ATOM 78 CD1 LEU A 5 -9.626 8.915 -7.403 1.00 0.00 C ATOM 79 CD2 LEU A 5 -9.113 11.006 -6.187 1.00 0.00 C ATOM 0 H LEU A 5 -7.158 7.148 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.979 9.181 -5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.077 7.711 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.928 8.794 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.623 9.783 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.908 9.547 -8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.230 7.970 -7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.503 8.723 -6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.378 11.550 -7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.001 10.879 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.361 11.569 -5.633 1.00 0.00 H new ATOM 91 N GLN A 6 -7.422 10.631 -2.768 1.00 0.00 N ATOM 92 CA GLN A 6 -7.266 11.826 -1.882 1.00 0.00 C ATOM 93 C GLN A 6 -5.819 12.140 -1.376 1.00 0.00 C ATOM 94 O GLN A 6 -5.399 13.299 -1.442 1.00 0.00 O ATOM 95 CB GLN A 6 -8.289 11.724 -0.706 1.00 0.00 C ATOM 96 CG GLN A 6 -9.630 12.475 -0.926 1.00 0.00 C ATOM 97 CD GLN A 6 -9.697 13.930 -0.433 1.00 0.00 C ATOM 98 OE1 GLN A 6 -10.507 14.281 0.416 1.00 0.00 O ATOM 99 NE2 GLN A 6 -8.887 14.833 -0.935 1.00 0.00 N ATOM 0 H GLN A 6 -8.088 9.944 -2.415 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.481 12.689 -2.512 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.507 10.671 -0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -7.819 12.112 0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.853 12.467 -1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.421 11.911 -0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.203 14.567 -1.643 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.942 15.800 -0.617 1.00 0.00 H new ATOM 108 N GLU A 7 -5.058 11.129 -0.917 1.00 0.00 N ATOM 109 CA GLU A 7 -3.605 11.290 -0.620 1.00 0.00 C ATOM 110 C GLU A 7 -2.695 11.590 -1.857 1.00 0.00 C ATOM 111 O GLU A 7 -1.811 12.436 -1.734 1.00 0.00 O ATOM 112 CB GLU A 7 -3.097 10.067 0.190 1.00 0.00 C ATOM 113 CG GLU A 7 -3.507 10.021 1.684 1.00 0.00 C ATOM 114 CD GLU A 7 -2.776 11.038 2.565 1.00 0.00 C ATOM 115 OE1 GLU A 7 -3.139 12.199 2.719 1.00 0.00 O ATOM 116 OE2 GLU A 7 -1.664 10.513 3.152 1.00 0.00 O ATOM 0 H GLU A 7 -5.416 10.190 -0.741 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.521 12.195 -0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.460 9.160 -0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.009 10.045 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.580 10.195 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.318 9.020 2.071 1.00 0.00 H new ATOM 123 N TRP A 8 -2.913 10.982 -3.041 1.00 0.00 N ATOM 124 CA TRP A 8 -2.283 11.424 -4.322 1.00 0.00 C ATOM 125 C TRP A 8 -2.511 12.940 -4.646 1.00 0.00 C ATOM 126 O TRP A 8 -1.534 13.668 -4.830 1.00 0.00 O ATOM 127 CB TRP A 8 -2.736 10.449 -5.453 1.00 0.00 C ATOM 128 CG TRP A 8 -2.049 10.664 -6.814 1.00 0.00 C ATOM 129 CD1 TRP A 8 -0.816 10.104 -7.213 1.00 0.00 C ATOM 130 CD2 TRP A 8 -2.403 11.539 -7.836 1.00 0.00 C ATOM 131 NE1 TRP A 8 -0.388 10.616 -8.453 1.00 0.00 N ATOM 132 CE2 TRP A 8 -1.374 11.517 -8.810 1.00 0.00 C ATOM 133 CE3 TRP A 8 -3.490 12.442 -7.967 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -1.408 12.419 -9.902 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -3.496 13.327 -9.044 1.00 0.00 C ATOM 136 CH2 TRP A 8 -2.471 13.317 -9.997 1.00 0.00 C ATOM 0 H TRP A 8 -3.526 10.174 -3.146 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.199 11.365 -4.228 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.549 9.426 -5.126 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.813 10.548 -5.587 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.268 9.372 -6.638 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.458 10.376 -8.970 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.295 12.443 -7.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.626 12.411 -10.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.307 14.033 -9.145 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.504 14.016 -10.820 1.00 0.00 H new ATOM 147 N ASN A 9 -3.771 13.412 -4.663 1.00 0.00 N ATOM 148 CA ASN A 9 -4.101 14.846 -4.891 1.00 0.00 C ATOM 149 C ASN A 9 -3.574 15.848 -3.798 1.00 0.00 C ATOM 150 O ASN A 9 -3.051 16.904 -4.159 1.00 0.00 O ATOM 151 CB ASN A 9 -5.633 14.892 -5.134 1.00 0.00 C ATOM 152 CG ASN A 9 -6.164 16.152 -5.822 1.00 0.00 C ATOM 153 OD1 ASN A 9 -5.455 16.956 -6.420 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.459 16.332 -5.787 1.00 0.00 N ATOM 0 H ASN A 9 -4.590 12.821 -4.521 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.559 15.219 -5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.912 14.028 -5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.137 14.786 -4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.875 17.137 -6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.053 15.667 -5.292 1.00 0.00 H new ATOM 161 N ALA A 10 -3.637 15.507 -2.493 1.00 0.00 N ATOM 162 CA ALA A 10 -2.878 16.226 -1.429 1.00 0.00 C ATOM 163 C ALA A 10 -1.307 16.183 -1.492 1.00 0.00 C ATOM 164 O ALA A 10 -0.661 17.152 -1.089 1.00 0.00 O ATOM 165 CB ALA A 10 -3.411 15.694 -0.085 1.00 0.00 C ATOM 0 H ALA A 10 -4.206 14.736 -2.143 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.057 17.291 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.889 16.188 0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.479 15.899 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.243 14.619 -0.027 1.00 0.00 H new ATOM 171 N ARG A 11 -0.688 15.095 -1.991 1.00 0.00 N ATOM 172 CA ARG A 11 0.764 15.064 -2.351 1.00 0.00 C ATOM 173 C ARG A 11 1.185 15.883 -3.621 1.00 0.00 C ATOM 174 O ARG A 11 2.323 16.361 -3.654 1.00 0.00 O ATOM 175 CB ARG A 11 1.252 13.582 -2.434 1.00 0.00 C ATOM 176 CG ARG A 11 1.811 12.978 -1.120 1.00 0.00 C ATOM 177 CD ARG A 11 0.754 12.603 -0.060 1.00 0.00 C ATOM 178 NE ARG A 11 1.388 12.353 1.265 1.00 0.00 N ATOM 179 CZ ARG A 11 1.606 13.278 2.204 1.00 0.00 C ATOM 180 NH1 ARG A 11 1.261 14.537 2.077 1.00 0.00 N ATOM 181 NH2 ARG A 11 2.201 12.914 3.303 1.00 0.00 N ATOM 0 H ARG A 11 -1.168 14.211 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 11 1.270 15.591 -1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.419 12.964 -2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.026 13.517 -3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.386 12.085 -1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.506 13.693 -0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.023 13.407 0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.212 11.713 -0.381 1.00 0.00 H new ATOM 0 HE ARG A 11 1.679 11.398 1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.799 14.856 1.225 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.454 15.197 2.830 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.488 11.944 3.430 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.380 13.599 4.037 1.00 0.00 H new ATOM 195 N GLN A 12 0.325 16.068 -4.644 1.00 0.00 N ATOM 196 CA GLN A 12 0.599 17.013 -5.767 1.00 0.00 C ATOM 197 C GLN A 12 0.684 18.508 -5.296 1.00 0.00 C ATOM 198 O GLN A 12 -0.100 18.950 -4.451 1.00 0.00 O ATOM 199 CB GLN A 12 -0.487 16.868 -6.876 1.00 0.00 C ATOM 200 CG GLN A 12 -0.638 15.505 -7.604 1.00 0.00 C ATOM 201 CD GLN A 12 0.609 14.937 -8.291 1.00 0.00 C ATOM 202 OE1 GLN A 12 0.951 15.286 -9.416 1.00 0.00 O ATOM 203 NE2 GLN A 12 1.308 14.027 -7.655 1.00 0.00 N ATOM 0 H GLN A 12 -0.567 15.580 -4.723 1.00 0.00 H new ATOM 0 HA GLN A 12 1.576 16.745 -6.170 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.450 17.111 -6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.288 17.626 -7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.988 14.771 -6.878 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.421 15.608 -8.356 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.030 13.732 -6.719 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.130 13.615 -8.096 1.00 0.00 H new ATOM 212 N ARG A 13 1.627 19.290 -5.866 1.00 0.00 N ATOM 213 CA ARG A 13 1.876 20.710 -5.454 1.00 0.00 C ATOM 214 C ARG A 13 0.630 21.665 -5.388 1.00 0.00 C ATOM 215 O ARG A 13 0.499 22.421 -4.422 1.00 0.00 O ATOM 216 CB ARG A 13 2.998 21.280 -6.374 1.00 0.00 C ATOM 217 CG ARG A 13 3.571 22.657 -5.940 1.00 0.00 C ATOM 218 CD ARG A 13 4.381 23.350 -7.050 1.00 0.00 C ATOM 219 NE ARG A 13 4.784 24.705 -6.580 1.00 0.00 N ATOM 220 CZ ARG A 13 5.132 25.728 -7.363 1.00 0.00 C ATOM 221 NH1 ARG A 13 5.221 25.648 -8.668 1.00 0.00 N ATOM 222 NH2 ARG A 13 5.399 26.871 -6.800 1.00 0.00 N ATOM 0 H ARG A 13 2.237 18.969 -6.618 1.00 0.00 H new ATOM 0 HA ARG A 13 2.180 20.676 -4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.815 20.560 -6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.605 21.371 -7.387 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.750 23.307 -5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.207 22.520 -5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.263 22.759 -7.298 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.784 23.428 -7.959 1.00 0.00 H new ATOM 0 HE ARG A 13 4.795 24.865 -5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.019 24.767 -9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.493 26.467 -9.212 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.339 26.966 -5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.668 27.671 -7.373 1.00 0.00 H new ATOM 236 N ARG A 14 -0.258 21.639 -6.399 1.00 0.00 N ATOM 237 CA ARG A 14 -1.583 22.298 -6.307 1.00 0.00 C ATOM 238 C ARG A 14 -2.680 21.212 -6.018 1.00 0.00 C ATOM 239 O ARG A 14 -2.923 20.400 -6.922 1.00 0.00 O ATOM 240 CB ARG A 14 -1.854 23.091 -7.621 1.00 0.00 C ATOM 241 CG ARG A 14 -2.842 24.274 -7.454 1.00 0.00 C ATOM 242 CD ARG A 14 -2.142 25.560 -6.958 1.00 0.00 C ATOM 243 NE ARG A 14 -3.105 26.626 -6.561 1.00 0.00 N ATOM 244 CZ ARG A 14 -3.661 27.525 -7.376 1.00 0.00 C ATOM 245 NH1 ARG A 14 -3.519 27.508 -8.678 1.00 0.00 N ATOM 246 NH2 ARG A 14 -4.388 28.468 -6.850 1.00 0.00 N ATOM 0 H ARG A 14 -0.087 21.171 -7.289 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.607 23.013 -5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.908 23.473 -8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.248 22.406 -8.372 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.330 24.474 -8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.624 23.994 -6.748 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.506 25.317 -6.107 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.491 25.940 -7.745 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.363 26.673 -5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.959 26.780 -9.120 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.969 28.223 -9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.520 28.506 -5.839 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.825 29.169 -7.448 1.00 0.00 H new ATOM 260 N PRO A 15 -3.383 21.154 -4.846 1.00 0.00 N ATOM 261 CA PRO A 15 -4.489 20.182 -4.628 1.00 0.00 C ATOM 262 C PRO A 15 -5.774 20.576 -5.428 1.00 0.00 C ATOM 263 O PRO A 15 -6.521 21.491 -5.067 1.00 0.00 O ATOM 264 CB PRO A 15 -4.635 20.194 -3.094 1.00 0.00 C ATOM 265 CG PRO A 15 -4.173 21.586 -2.658 1.00 0.00 C ATOM 266 CD PRO A 15 -3.054 21.941 -3.639 1.00 0.00 C ATOM 0 HA PRO A 15 -4.298 19.175 -5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.667 20.010 -2.795 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.026 19.415 -2.634 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.988 22.308 -2.707 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.813 21.581 -1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.032 23.010 -3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.074 21.675 -3.242 1.00 0.00 H new ATOM 274 N ARG A 16 -5.971 19.900 -6.567 1.00 0.00 N ATOM 275 CA ARG A 16 -7.057 20.215 -7.535 1.00 0.00 C ATOM 276 C ARG A 16 -8.421 19.543 -7.153 1.00 0.00 C ATOM 277 O ARG A 16 -8.565 18.899 -6.109 1.00 0.00 O ATOM 278 CB ARG A 16 -6.504 19.815 -8.942 1.00 0.00 C ATOM 279 CG ARG A 16 -5.451 20.791 -9.529 1.00 0.00 C ATOM 280 CD ARG A 16 -4.876 20.296 -10.868 1.00 0.00 C ATOM 281 NE ARG A 16 -3.927 21.284 -11.460 1.00 0.00 N ATOM 282 CZ ARG A 16 -4.246 22.247 -12.330 1.00 0.00 C ATOM 283 NH1 ARG A 16 -5.472 22.497 -12.718 1.00 0.00 N ATOM 284 NH2 ARG A 16 -3.289 22.984 -12.816 1.00 0.00 N ATOM 0 H ARG A 16 -5.386 19.115 -6.854 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.309 21.275 -7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.060 18.822 -8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.340 19.743 -9.638 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.907 21.770 -9.672 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.639 20.919 -8.813 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.364 19.346 -10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.691 20.110 -11.567 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.950 21.219 -11.176 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.246 21.942 -12.352 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.653 23.247 -13.386 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.324 22.819 -12.531 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.505 23.726 -13.482 1.00 0.00 H new ATOM 298 N SER A 17 -9.457 19.696 -7.996 1.00 0.00 N ATOM 299 CA SER A 17 -10.758 19.003 -7.789 1.00 0.00 C ATOM 300 C SER A 17 -10.684 17.473 -8.109 1.00 0.00 C ATOM 301 O SER A 17 -10.199 17.062 -9.170 1.00 0.00 O ATOM 302 CB SER A 17 -11.830 19.715 -8.642 1.00 0.00 C ATOM 303 OG SER A 17 -12.012 21.067 -8.225 1.00 0.00 O ATOM 0 H SER A 17 -9.428 20.289 -8.826 1.00 0.00 H new ATOM 0 HA SER A 17 -11.025 19.063 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.536 19.693 -9.691 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.775 19.178 -8.564 1.00 0.00 H new ATOM 0 HG SER A 17 -12.695 21.493 -8.784 1.00 0.00 H new ATOM 309 N LEU A 18 -11.211 16.637 -7.197 1.00 0.00 N ATOM 310 CA LEU A 18 -11.261 15.146 -7.364 1.00 0.00 C ATOM 311 C LEU A 18 -11.995 14.634 -8.659 1.00 0.00 C ATOM 312 O LEU A 18 -11.493 13.739 -9.343 1.00 0.00 O ATOM 313 CB LEU A 18 -11.867 14.513 -6.073 1.00 0.00 C ATOM 314 CG LEU A 18 -11.141 14.774 -4.720 1.00 0.00 C ATOM 315 CD1 LEU A 18 -12.047 14.399 -3.534 1.00 0.00 C ATOM 316 CD2 LEU A 18 -9.815 14.008 -4.591 1.00 0.00 C ATOM 0 H LEU A 18 -11.618 16.960 -6.319 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.232 14.817 -7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.892 14.870 -5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.918 13.434 -6.222 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.916 15.840 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.520 14.589 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.956 14.999 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.308 13.342 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.358 14.232 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.005 12.937 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.140 14.311 -5.392 1.00 0.00 H new ATOM 328 N GLU A 19 -13.131 15.255 -9.031 1.00 0.00 N ATOM 329 CA GLU A 19 -13.741 15.141 -10.389 1.00 0.00 C ATOM 330 C GLU A 19 -12.833 15.452 -11.635 1.00 0.00 C ATOM 331 O GLU A 19 -12.912 14.724 -12.626 1.00 0.00 O ATOM 332 CB GLU A 19 -15.066 15.959 -10.390 1.00 0.00 C ATOM 333 CG GLU A 19 -14.940 17.501 -10.238 1.00 0.00 C ATOM 334 CD GLU A 19 -16.271 18.240 -10.224 1.00 0.00 C ATOM 335 OE1 GLU A 19 -16.683 18.598 -11.474 1.00 0.00 O ATOM 336 OE2 GLU A 19 -16.897 18.494 -9.202 1.00 0.00 O ATOM 0 H GLU A 19 -13.662 15.856 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.921 14.077 -10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.592 15.752 -11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.694 15.588 -9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.406 17.721 -9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.332 17.887 -11.057 1.00 0.00 H new ATOM 343 N THR A 20 -11.975 16.492 -11.590 1.00 0.00 N ATOM 344 CA THR A 20 -10.933 16.754 -12.637 1.00 0.00 C ATOM 345 C THR A 20 -9.814 15.658 -12.702 1.00 0.00 C ATOM 346 O THR A 20 -9.515 15.163 -13.791 1.00 0.00 O ATOM 347 CB THR A 20 -10.370 18.203 -12.463 1.00 0.00 C ATOM 348 OG1 THR A 20 -11.416 19.167 -12.543 1.00 0.00 O ATOM 349 CG2 THR A 20 -9.342 18.641 -13.521 1.00 0.00 C ATOM 0 H THR A 20 -11.974 17.178 -10.835 1.00 0.00 H new ATOM 0 HA THR A 20 -11.415 16.687 -13.612 1.00 0.00 H new ATOM 0 HB THR A 20 -9.884 18.163 -11.488 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.042 20.066 -12.430 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.015 19.659 -13.311 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.483 17.971 -13.493 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.799 18.604 -14.510 1.00 0.00 H new ATOM 357 N VAL A 21 -9.247 15.243 -11.554 1.00 0.00 N ATOM 358 CA VAL A 21 -8.377 14.024 -11.438 1.00 0.00 C ATOM 359 C VAL A 21 -9.032 12.702 -11.995 1.00 0.00 C ATOM 360 O VAL A 21 -8.394 11.981 -12.766 1.00 0.00 O ATOM 361 CB VAL A 21 -7.858 13.945 -9.953 1.00 0.00 C ATOM 362 CG1 VAL A 21 -7.134 12.635 -9.564 1.00 0.00 C ATOM 363 CG2 VAL A 21 -6.902 15.113 -9.598 1.00 0.00 C ATOM 0 H VAL A 21 -9.371 15.735 -10.669 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.517 14.123 -12.100 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.787 13.999 -9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.820 12.689 -8.522 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.812 11.792 -9.695 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.259 12.500 -10.200 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.573 15.012 -8.564 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.036 15.088 -10.259 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.425 16.061 -9.721 1.00 0.00 H new ATOM 373 N ARG A 22 -10.308 12.415 -11.671 1.00 0.00 N ATOM 374 CA ARG A 22 -11.098 11.325 -12.319 1.00 0.00 C ATOM 375 C ARG A 22 -11.325 11.478 -13.870 1.00 0.00 C ATOM 376 O ARG A 22 -11.209 10.486 -14.594 1.00 0.00 O ATOM 377 CB ARG A 22 -12.408 11.192 -11.489 1.00 0.00 C ATOM 378 CG ARG A 22 -13.229 9.888 -11.645 1.00 0.00 C ATOM 379 CD ARG A 22 -14.016 9.736 -12.971 1.00 0.00 C ATOM 380 NE ARG A 22 -15.421 9.281 -12.750 1.00 0.00 N ATOM 381 CZ ARG A 22 -16.449 10.072 -12.428 1.00 0.00 C ATOM 382 NH1 ARG A 22 -16.357 11.377 -12.346 1.00 0.00 N ATOM 383 NH2 ARG A 22 -17.602 9.523 -12.177 1.00 0.00 N ATOM 0 H ARG A 22 -10.828 12.925 -10.956 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.526 10.397 -12.297 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.150 11.302 -10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.056 12.029 -11.748 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.550 9.041 -11.549 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.935 9.825 -10.817 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.025 10.691 -13.497 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.503 9.022 -13.615 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.612 8.284 -12.853 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.467 11.838 -12.533 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.176 11.931 -12.096 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.706 8.510 -12.228 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.401 10.106 -11.929 1.00 0.00 H new ATOM 397 N ARG A 23 -11.617 12.689 -14.394 1.00 0.00 N ATOM 398 CA ARG A 23 -11.551 12.980 -15.863 1.00 0.00 C ATOM 399 C ARG A 23 -10.140 12.784 -16.530 1.00 0.00 C ATOM 400 O ARG A 23 -10.070 12.202 -17.615 1.00 0.00 O ATOM 401 CB ARG A 23 -12.133 14.393 -16.161 1.00 0.00 C ATOM 402 CG ARG A 23 -13.662 14.556 -15.938 1.00 0.00 C ATOM 403 CD ARG A 23 -14.252 15.905 -16.409 1.00 0.00 C ATOM 404 NE ARG A 23 -13.819 17.072 -15.581 1.00 0.00 N ATOM 405 CZ ARG A 23 -14.497 17.607 -14.562 1.00 0.00 C ATOM 406 NH1 ARG A 23 -15.601 17.103 -14.072 1.00 0.00 N ATOM 407 NH2 ARG A 23 -14.040 18.695 -14.018 1.00 0.00 N ATOM 0 H ARG A 23 -11.902 13.489 -13.829 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.171 12.218 -16.335 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.614 15.118 -15.534 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.907 14.647 -17.197 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.178 13.750 -16.459 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.874 14.435 -14.876 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.960 16.077 -17.445 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.340 15.842 -16.391 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.923 17.499 -15.816 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.993 16.250 -14.471 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.069 17.563 -13.291 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.183 19.120 -14.371 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.539 19.124 -13.238 1.00 0.00 H new ATOM 421 N TRP A 24 -9.030 13.195 -15.881 1.00 0.00 N ATOM 422 CA TRP A 24 -7.646 12.773 -16.269 1.00 0.00 C ATOM 423 C TRP A 24 -7.389 11.223 -16.318 1.00 0.00 C ATOM 424 O TRP A 24 -6.733 10.757 -17.252 1.00 0.00 O ATOM 425 CB TRP A 24 -6.607 13.476 -15.349 1.00 0.00 C ATOM 426 CG TRP A 24 -6.442 15.008 -15.412 1.00 0.00 C ATOM 427 CD1 TRP A 24 -7.120 15.945 -16.231 1.00 0.00 C ATOM 428 CD2 TRP A 24 -5.588 15.767 -14.628 1.00 0.00 C ATOM 429 NE1 TRP A 24 -6.701 17.266 -15.980 1.00 0.00 N ATOM 430 CE2 TRP A 24 -5.755 17.131 -14.977 1.00 0.00 C ATOM 431 CE3 TRP A 24 -4.666 15.395 -13.615 1.00 0.00 C ATOM 432 CZ2 TRP A 24 -4.998 18.130 -14.316 1.00 0.00 C ATOM 433 CZ3 TRP A 24 -3.951 16.398 -12.963 1.00 0.00 C ATOM 434 CH2 TRP A 24 -4.103 17.743 -13.318 1.00 0.00 C ATOM 0 H TRP A 24 -9.055 13.824 -15.078 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.529 13.092 -17.305 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.856 13.218 -14.320 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.633 13.035 -15.561 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -7.869 15.678 -16.961 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.020 18.123 -16.432 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.522 14.357 -13.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.112 19.171 -14.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.268 16.133 -12.170 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.517 18.495 -12.810 1.00 0.00 H new ATOM 445 N VAL A 25 -7.924 10.425 -15.370 1.00 0.00 N ATOM 446 CA VAL A 25 -7.964 8.928 -15.472 1.00 0.00 C ATOM 447 C VAL A 25 -8.829 8.407 -16.678 1.00 0.00 C ATOM 448 O VAL A 25 -8.345 7.556 -17.428 1.00 0.00 O ATOM 449 CB VAL A 25 -8.347 8.284 -14.090 1.00 0.00 C ATOM 450 CG1 VAL A 25 -8.465 6.738 -14.116 1.00 0.00 C ATOM 451 CG2 VAL A 25 -7.345 8.608 -12.958 1.00 0.00 C ATOM 0 H VAL A 25 -8.341 10.786 -14.512 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.955 8.591 -15.709 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.320 8.735 -13.895 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.732 6.377 -13.123 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.236 6.444 -14.829 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.510 6.305 -14.415 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.673 8.131 -12.034 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.357 8.235 -13.228 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.297 9.687 -12.812 1.00 0.00 H new ATOM 461 N ARG A 26 -10.061 8.917 -16.900 1.00 0.00 N ATOM 462 CA ARG A 26 -10.849 8.619 -18.140 1.00 0.00 C ATOM 463 C ARG A 26 -10.146 8.935 -19.506 1.00 0.00 C ATOM 464 O ARG A 26 -10.235 8.113 -20.421 1.00 0.00 O ATOM 465 CB ARG A 26 -12.256 9.281 -18.092 1.00 0.00 C ATOM 466 CG ARG A 26 -13.236 8.755 -17.006 1.00 0.00 C ATOM 467 CD ARG A 26 -14.694 8.545 -17.473 1.00 0.00 C ATOM 468 NE ARG A 26 -15.361 9.824 -17.865 1.00 0.00 N ATOM 469 CZ ARG A 26 -16.464 10.343 -17.327 1.00 0.00 C ATOM 470 NH1 ARG A 26 -17.080 9.831 -16.292 1.00 0.00 N ATOM 471 NH2 ARG A 26 -16.960 11.421 -17.862 1.00 0.00 N ATOM 0 H ARG A 26 -10.539 9.536 -16.245 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.940 7.533 -18.123 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.123 10.352 -17.941 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.727 9.152 -19.067 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.855 7.808 -16.625 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.237 9.457 -16.172 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.705 7.859 -18.320 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.264 8.073 -16.673 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.928 10.353 -18.621 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -16.718 8.986 -15.850 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -17.922 10.277 -15.927 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.505 11.845 -18.671 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -17.804 11.842 -17.473 1.00 0.00 H new ATOM 485 N GLU A 27 -9.429 10.068 -19.646 1.00 0.00 N ATOM 486 CA GLU A 27 -8.517 10.301 -20.814 1.00 0.00 C ATOM 487 C GLU A 27 -7.060 9.701 -20.695 1.00 0.00 C ATOM 488 O GLU A 27 -6.167 10.121 -21.436 1.00 0.00 O ATOM 489 CB GLU A 27 -8.520 11.830 -21.113 1.00 0.00 C ATOM 490 CG GLU A 27 -9.827 12.369 -21.751 1.00 0.00 C ATOM 491 CD GLU A 27 -9.754 13.840 -22.155 1.00 0.00 C ATOM 492 OE1 GLU A 27 -9.132 14.251 -23.129 1.00 0.00 O ATOM 493 OE2 GLU A 27 -10.465 14.649 -21.322 1.00 0.00 O ATOM 0 H GLU A 27 -9.454 10.838 -18.978 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.914 9.733 -21.656 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.339 12.368 -20.182 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.688 12.057 -21.779 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.064 11.771 -22.631 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.647 12.236 -21.045 1.00 0.00 H new ATOM 500 N SER A 28 -6.814 8.699 -19.818 1.00 0.00 N ATOM 501 CA SER A 28 -5.492 8.018 -19.630 1.00 0.00 C ATOM 502 C SER A 28 -4.216 8.919 -19.444 1.00 0.00 C ATOM 503 O SER A 28 -3.156 8.681 -20.030 1.00 0.00 O ATOM 504 CB SER A 28 -5.362 6.901 -20.699 1.00 0.00 C ATOM 505 OG SER A 28 -4.385 5.932 -20.319 1.00 0.00 O ATOM 0 H SER A 28 -7.539 8.327 -19.204 1.00 0.00 H new ATOM 0 HA SER A 28 -5.511 7.578 -18.633 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.327 6.413 -20.838 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.087 7.342 -21.657 1.00 0.00 H new ATOM 0 HG SER A 28 -3.547 6.385 -20.090 1.00 0.00 H new ATOM 511 N ARG A 29 -4.329 9.957 -18.598 1.00 0.00 N ATOM 512 CA ARG A 29 -3.278 11.003 -18.436 1.00 0.00 C ATOM 513 C ARG A 29 -2.356 10.790 -17.191 1.00 0.00 C ATOM 514 O ARG A 29 -1.147 10.999 -17.306 1.00 0.00 O ATOM 515 CB ARG A 29 -3.980 12.395 -18.468 1.00 0.00 C ATOM 516 CG ARG A 29 -3.174 13.516 -19.168 1.00 0.00 C ATOM 517 CD ARG A 29 -3.961 14.839 -19.269 1.00 0.00 C ATOM 518 NE ARG A 29 -3.429 15.694 -20.371 1.00 0.00 N ATOM 519 CZ ARG A 29 -3.999 16.821 -20.803 1.00 0.00 C ATOM 520 NH1 ARG A 29 -4.968 17.429 -20.164 1.00 0.00 N ATOM 521 NH2 ARG A 29 -3.581 17.350 -21.917 1.00 0.00 N ATOM 0 H ARG A 29 -5.145 10.104 -18.004 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.575 10.934 -19.266 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.941 12.290 -18.972 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.189 12.704 -17.444 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.248 13.689 -18.619 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.895 13.187 -20.169 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.016 14.627 -19.445 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.898 15.377 -18.323 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.567 15.395 -20.827 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.323 17.043 -19.290 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.367 18.289 -20.541 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.830 16.903 -22.444 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.004 18.211 -22.263 1.00 0.00 H new ATOM 535 N ILE A 30 -2.888 10.377 -16.020 1.00 0.00 N ATOM 536 CA ILE A 30 -2.055 9.984 -14.838 1.00 0.00 C ATOM 537 C ILE A 30 -1.507 8.535 -15.058 1.00 0.00 C ATOM 538 O ILE A 30 -2.281 7.575 -15.151 1.00 0.00 O ATOM 539 CB ILE A 30 -2.809 10.162 -13.474 1.00 0.00 C ATOM 540 CG1 ILE A 30 -3.382 11.594 -13.236 1.00 0.00 C ATOM 541 CG2 ILE A 30 -1.875 9.799 -12.284 1.00 0.00 C ATOM 542 CD1 ILE A 30 -4.560 11.635 -12.248 1.00 0.00 C ATOM 0 H ILE A 30 -3.892 10.303 -15.857 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.207 10.664 -14.764 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.659 9.482 -13.531 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.585 12.237 -12.863 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.706 12.009 -14.191 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.414 9.928 -11.346 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.553 8.762 -12.378 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.002 10.452 -12.294 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.904 12.663 -12.134 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.375 11.020 -12.628 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.237 11.251 -11.280 1.00 0.00 H new ATOM 554 N PHE A 31 -0.171 8.405 -15.147 1.00 0.00 N ATOM 555 CA PHE A 31 0.500 7.139 -15.541 1.00 0.00 C ATOM 556 C PHE A 31 1.595 6.705 -14.491 1.00 0.00 C ATOM 557 O PHE A 31 2.373 7.570 -14.059 1.00 0.00 O ATOM 558 CB PHE A 31 1.055 7.307 -16.994 1.00 0.00 C ATOM 559 CG PHE A 31 0.661 6.159 -17.936 1.00 0.00 C ATOM 560 CD1 PHE A 31 -0.593 6.167 -18.559 1.00 0.00 C ATOM 561 CD2 PHE A 31 1.524 5.078 -18.145 1.00 0.00 C ATOM 562 CE1 PHE A 31 -0.979 5.105 -19.373 1.00 0.00 C ATOM 563 CE2 PHE A 31 1.133 4.014 -18.955 1.00 0.00 C ATOM 564 CZ PHE A 31 -0.118 4.028 -19.568 1.00 0.00 C ATOM 0 H PHE A 31 0.477 9.167 -14.950 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.217 6.318 -15.543 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.690 8.247 -17.407 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.142 7.377 -16.954 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.263 7.000 -18.408 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.497 5.068 -17.677 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.946 5.117 -19.853 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.800 3.178 -19.108 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.420 3.202 -20.195 1.00 0.00 H new ATOM 574 N PRO A 32 1.719 5.410 -14.052 1.00 0.00 N ATOM 575 CA PRO A 32 0.842 4.279 -14.473 1.00 0.00 C ATOM 576 C PRO A 32 -0.639 4.331 -13.939 1.00 0.00 C ATOM 577 O PRO A 32 -0.873 4.936 -12.885 1.00 0.00 O ATOM 578 CB PRO A 32 1.630 3.054 -13.965 1.00 0.00 C ATOM 579 CG PRO A 32 2.411 3.556 -12.751 1.00 0.00 C ATOM 580 CD PRO A 32 2.792 4.987 -13.127 1.00 0.00 C ATOM 0 HA PRO A 32 0.663 4.282 -15.548 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.959 2.239 -13.692 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.301 2.671 -14.734 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.804 3.529 -11.846 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.293 2.944 -12.562 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.840 5.631 -12.249 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.771 5.027 -13.605 1.00 0.00 H new ATOM 588 N PRO A 33 -1.665 3.753 -14.635 1.00 0.00 N ATOM 589 CA PRO A 33 -3.088 3.910 -14.234 1.00 0.00 C ATOM 590 C PRO A 33 -3.478 3.236 -12.865 1.00 0.00 C ATOM 591 O PRO A 33 -2.960 2.152 -12.567 1.00 0.00 O ATOM 592 CB PRO A 33 -3.837 3.317 -15.446 1.00 0.00 C ATOM 593 CG PRO A 33 -2.862 2.315 -16.067 1.00 0.00 C ATOM 594 CD PRO A 33 -1.492 2.965 -15.874 1.00 0.00 C ATOM 0 HA PRO A 33 -3.342 4.949 -14.024 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.761 2.828 -15.137 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.110 4.095 -16.159 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.917 1.345 -15.572 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.079 2.148 -17.122 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.703 2.220 -15.771 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.224 3.598 -16.720 1.00 0.00 H new ATOM 602 N PRO A 34 -4.372 3.816 -12.010 1.00 0.00 N ATOM 603 CA PRO A 34 -4.676 3.251 -10.667 1.00 0.00 C ATOM 604 C PRO A 34 -5.430 1.881 -10.642 1.00 0.00 C ATOM 605 O PRO A 34 -6.287 1.588 -11.482 1.00 0.00 O ATOM 606 CB PRO A 34 -5.492 4.389 -10.027 1.00 0.00 C ATOM 607 CG PRO A 34 -6.121 5.147 -11.197 1.00 0.00 C ATOM 608 CD PRO A 34 -5.028 5.116 -12.259 1.00 0.00 C ATOM 0 HA PRO A 34 -3.764 2.977 -10.136 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.257 3.995 -9.358 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.854 5.043 -9.433 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.034 4.665 -11.545 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.385 6.168 -10.920 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.440 5.176 -13.266 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.333 5.948 -12.149 1.00 0.00 H new ATOM 616 N VAL A 35 -5.118 1.061 -9.625 1.00 0.00 N ATOM 617 CA VAL A 35 -5.715 -0.296 -9.451 1.00 0.00 C ATOM 618 C VAL A 35 -7.149 -0.149 -8.840 1.00 0.00 C ATOM 619 O VAL A 35 -7.319 0.247 -7.679 1.00 0.00 O ATOM 620 CB VAL A 35 -4.769 -1.226 -8.610 1.00 0.00 C ATOM 621 CG1 VAL A 35 -5.348 -2.643 -8.372 1.00 0.00 C ATOM 622 CG2 VAL A 35 -3.374 -1.435 -9.248 1.00 0.00 C ATOM 0 H VAL A 35 -4.448 1.308 -8.897 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.818 -0.787 -10.418 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.680 -0.683 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.642 -3.231 -7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.292 -2.564 -7.832 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.518 -3.132 -9.331 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.777 -2.088 -8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.488 -1.892 -10.231 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.873 -0.472 -9.352 1.00 0.00 H new ATOM 632 N LYS A 36 -8.176 -0.481 -9.640 1.00 0.00 N ATOM 633 CA LYS A 36 -9.598 -0.343 -9.231 1.00 0.00 C ATOM 634 C LYS A 36 -10.049 -1.568 -8.372 1.00 0.00 C ATOM 635 O LYS A 36 -10.338 -2.651 -8.892 1.00 0.00 O ATOM 636 CB LYS A 36 -10.432 -0.103 -10.520 1.00 0.00 C ATOM 637 CG LYS A 36 -11.834 0.515 -10.293 1.00 0.00 C ATOM 638 CD LYS A 36 -12.988 -0.474 -10.014 1.00 0.00 C ATOM 639 CE LYS A 36 -13.809 -0.932 -11.234 1.00 0.00 C ATOM 640 NZ LYS A 36 -13.071 -1.882 -12.086 1.00 0.00 N ATOM 0 H LYS A 36 -8.054 -0.851 -10.583 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.754 0.512 -8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.867 0.552 -11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.552 -1.054 -11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.769 1.208 -9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.094 1.103 -11.173 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.571 -1.358 -9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.668 -0.012 -9.299 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.733 -1.398 -10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.091 -0.061 -11.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.666 -2.160 -12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.202 -1.431 -12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.824 -2.726 -11.531 1.00 0.00 H new ATOM 653 N ASP A 37 -10.093 -1.384 -7.042 1.00 0.00 N ATOM 654 CA ASP A 37 -10.497 -2.456 -6.087 1.00 0.00 C ATOM 655 C ASP A 37 -12.038 -2.417 -5.847 1.00 0.00 C ATOM 656 O ASP A 37 -12.526 -1.782 -4.904 1.00 0.00 O ATOM 657 CB ASP A 37 -9.653 -2.285 -4.791 1.00 0.00 C ATOM 658 CG ASP A 37 -8.328 -3.043 -4.799 1.00 0.00 C ATOM 659 OD1 ASP A 37 -7.381 -2.420 -5.558 1.00 0.00 O ATOM 660 OD2 ASP A 37 -8.154 -4.097 -4.194 1.00 0.00 O ATOM 0 H ASP A 37 -9.854 -0.501 -6.591 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.294 -3.448 -6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.450 -1.225 -4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.245 -2.620 -3.939 1.00 0.00 H new ATOM 665 N GLY A 38 -12.812 -3.061 -6.746 1.00 0.00 N ATOM 666 CA GLY A 38 -14.304 -3.003 -6.713 1.00 0.00 C ATOM 667 C GLY A 38 -14.944 -1.677 -7.191 1.00 0.00 C ATOM 668 O GLY A 38 -15.662 -1.641 -8.190 1.00 0.00 O ATOM 0 H GLY A 38 -12.437 -3.629 -7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.693 -3.814 -7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.632 -3.194 -5.691 1.00 0.00 H new ATOM 672 N ARG A 39 -14.674 -0.601 -6.442 1.00 0.00 N ATOM 673 CA ARG A 39 -15.075 0.792 -6.800 1.00 0.00 C ATOM 674 C ARG A 39 -13.957 1.872 -6.558 1.00 0.00 C ATOM 675 O ARG A 39 -13.817 2.786 -7.374 1.00 0.00 O ATOM 676 CB ARG A 39 -16.454 1.112 -6.153 1.00 0.00 C ATOM 677 CG ARG A 39 -16.466 1.339 -4.622 1.00 0.00 C ATOM 678 CD ARG A 39 -17.866 1.241 -4.001 1.00 0.00 C ATOM 679 NE ARG A 39 -17.779 1.660 -2.576 1.00 0.00 N ATOM 680 CZ ARG A 39 -18.802 1.697 -1.723 1.00 0.00 C ATOM 681 NH1 ARG A 39 -20.000 1.247 -2.008 1.00 0.00 N ATOM 682 NH2 ARG A 39 -18.600 2.206 -0.543 1.00 0.00 N ATOM 0 H ARG A 39 -14.167 -0.659 -5.559 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.200 0.847 -7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.856 2.004 -6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -17.136 0.293 -6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -15.815 0.605 -4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -16.049 2.322 -4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -18.566 1.878 -4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -18.242 0.221 -4.074 1.00 0.00 H new ATOM 0 HE ARG A 39 -16.864 1.941 -2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -20.188 0.841 -2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -20.744 1.303 -1.313 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.678 2.563 -0.293 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -19.364 2.248 0.132 1.00 0.00 H new ATOM 696 N GLU A 40 -13.173 1.794 -5.459 1.00 0.00 N ATOM 697 CA GLU A 40 -12.083 2.763 -5.149 1.00 0.00 C ATOM 698 C GLU A 40 -10.776 2.533 -5.988 1.00 0.00 C ATOM 699 O GLU A 40 -10.350 1.402 -6.245 1.00 0.00 O ATOM 700 CB GLU A 40 -11.803 2.713 -3.613 1.00 0.00 C ATOM 701 CG GLU A 40 -12.577 3.724 -2.725 1.00 0.00 C ATOM 702 CD GLU A 40 -14.102 3.559 -2.649 1.00 0.00 C ATOM 703 OE1 GLU A 40 -14.665 2.573 -2.176 1.00 0.00 O ATOM 704 OE2 GLU A 40 -14.764 4.640 -3.158 1.00 0.00 O ATOM 0 H GLU A 40 -13.274 1.060 -4.758 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.420 3.758 -5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.030 1.707 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.736 2.872 -3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.178 3.660 -1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.363 4.729 -3.089 1.00 0.00 H new ATOM 711 N TYR A 41 -10.132 3.646 -6.378 1.00 0.00 N ATOM 712 CA TYR A 41 -8.925 3.642 -7.252 1.00 0.00 C ATOM 713 C TYR A 41 -7.622 3.875 -6.421 1.00 0.00 C ATOM 714 O TYR A 41 -7.435 4.937 -5.814 1.00 0.00 O ATOM 715 CB TYR A 41 -9.106 4.759 -8.321 1.00 0.00 C ATOM 716 CG TYR A 41 -10.075 4.447 -9.473 1.00 0.00 C ATOM 717 CD1 TYR A 41 -9.629 3.747 -10.598 1.00 0.00 C ATOM 718 CD2 TYR A 41 -11.396 4.909 -9.430 1.00 0.00 C ATOM 719 CE1 TYR A 41 -10.479 3.548 -11.684 1.00 0.00 C ATOM 720 CE2 TYR A 41 -12.250 4.690 -10.509 1.00 0.00 C ATOM 721 CZ TYR A 41 -11.789 4.020 -11.638 1.00 0.00 C ATOM 722 OH TYR A 41 -12.634 3.812 -12.695 1.00 0.00 O ATOM 0 H TYR A 41 -10.427 4.582 -6.100 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.822 2.670 -7.734 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -9.452 5.662 -7.818 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.129 4.986 -8.747 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.622 3.359 -10.625 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -11.754 5.436 -8.558 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.123 3.028 -12.561 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.271 5.041 -10.469 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.509 4.205 -12.496 1.00 0.00 H new ATOM 732 N LEU A 42 -6.713 2.886 -6.429 1.00 0.00 N ATOM 733 CA LEU A 42 -5.415 2.965 -5.703 1.00 0.00 C ATOM 734 C LEU A 42 -4.249 3.345 -6.675 1.00 0.00 C ATOM 735 O LEU A 42 -3.853 2.558 -7.540 1.00 0.00 O ATOM 736 CB LEU A 42 -5.174 1.599 -4.999 1.00 0.00 C ATOM 737 CG LEU A 42 -6.007 1.275 -3.730 1.00 0.00 C ATOM 738 CD1 LEU A 42 -5.704 -0.161 -3.266 1.00 0.00 C ATOM 739 CD2 LEU A 42 -5.708 2.238 -2.563 1.00 0.00 C ATOM 0 H LEU A 42 -6.847 2.010 -6.933 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.448 3.754 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.357 0.811 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.119 1.544 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.056 1.388 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.290 -0.387 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.965 -0.862 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.643 -0.252 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.318 1.966 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.653 2.171 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.942 3.259 -2.865 1.00 0.00 H new ATOM 751 N PHE A 43 -3.688 4.556 -6.524 1.00 0.00 N ATOM 752 CA PHE A 43 -2.574 5.063 -7.381 1.00 0.00 C ATOM 753 C PHE A 43 -1.202 4.511 -6.910 1.00 0.00 C ATOM 754 O PHE A 43 -1.014 4.219 -5.734 1.00 0.00 O ATOM 755 CB PHE A 43 -2.567 6.624 -7.302 1.00 0.00 C ATOM 756 CG PHE A 43 -3.682 7.330 -8.088 1.00 0.00 C ATOM 757 CD1 PHE A 43 -4.993 7.322 -7.601 1.00 0.00 C ATOM 758 CD2 PHE A 43 -3.412 7.936 -9.320 1.00 0.00 C ATOM 759 CE1 PHE A 43 -6.020 7.877 -8.352 1.00 0.00 C ATOM 760 CE2 PHE A 43 -4.444 8.518 -10.053 1.00 0.00 C ATOM 761 CZ PHE A 43 -5.743 8.505 -9.560 1.00 0.00 C ATOM 0 H PHE A 43 -3.985 5.220 -5.809 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.732 4.727 -8.406 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.642 6.918 -6.255 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.605 6.985 -7.666 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.207 6.883 -6.638 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.402 7.953 -9.703 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.038 7.820 -7.996 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.234 8.980 -11.006 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.537 8.983 -10.115 1.00 0.00 H new ATOM 771 N HIS A 44 -0.185 4.425 -7.775 1.00 0.00 N ATOM 772 CA HIS A 44 1.213 4.217 -7.296 1.00 0.00 C ATOM 773 C HIS A 44 1.776 5.543 -6.671 1.00 0.00 C ATOM 774 O HIS A 44 1.581 6.633 -7.218 1.00 0.00 O ATOM 775 CB HIS A 44 2.050 3.692 -8.499 1.00 0.00 C ATOM 776 CG HIS A 44 3.382 2.991 -8.199 1.00 0.00 C ATOM 777 ND1 HIS A 44 4.184 3.186 -7.090 1.00 0.00 N ATOM 778 CD2 HIS A 44 3.993 2.053 -9.051 1.00 0.00 C ATOM 779 CE1 HIS A 44 5.207 2.325 -7.365 1.00 0.00 C ATOM 780 NE2 HIS A 44 5.194 1.597 -8.524 1.00 0.00 N ATOM 0 H HIS A 44 -0.284 4.492 -8.788 1.00 0.00 H new ATOM 0 HA HIS A 44 1.260 3.476 -6.498 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.426 2.997 -9.062 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.258 4.537 -9.155 1.00 0.00 H new ATOM 0 HD2 HIS A 44 3.580 1.729 -9.995 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.026 2.218 -6.669 1.00 0.00 H new ATOM 0 HE2 HIS A 44 5.865 0.922 -8.891 1.00 0.00 H new ATOM 788 N GLU A 45 2.532 5.457 -5.560 1.00 0.00 N ATOM 789 CA GLU A 45 3.388 6.592 -5.079 1.00 0.00 C ATOM 790 C GLU A 45 4.324 7.306 -6.129 1.00 0.00 C ATOM 791 O GLU A 45 4.522 8.518 -6.028 1.00 0.00 O ATOM 792 CB GLU A 45 4.146 6.168 -3.790 1.00 0.00 C ATOM 793 CG GLU A 45 5.211 5.042 -3.921 1.00 0.00 C ATOM 794 CD GLU A 45 6.079 4.797 -2.685 1.00 0.00 C ATOM 795 OE1 GLU A 45 5.909 5.323 -1.589 1.00 0.00 O ATOM 796 OE2 GLU A 45 7.080 3.912 -2.944 1.00 0.00 O ATOM 0 H GLU A 45 2.577 4.625 -4.972 1.00 0.00 H new ATOM 0 HA GLU A 45 2.680 7.391 -4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.639 7.051 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.407 5.848 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.700 4.113 -4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.865 5.283 -4.759 1.00 0.00 H new ATOM 803 N SER A 46 4.838 6.584 -7.146 1.00 0.00 N ATOM 804 CA SER A 46 5.488 7.197 -8.339 1.00 0.00 C ATOM 805 C SER A 46 4.560 7.477 -9.589 1.00 0.00 C ATOM 806 O SER A 46 5.066 7.497 -10.717 1.00 0.00 O ATOM 807 CB SER A 46 6.677 6.260 -8.673 1.00 0.00 C ATOM 808 OG SER A 46 7.426 6.776 -9.773 1.00 0.00 O ATOM 0 H SER A 46 4.818 5.564 -7.171 1.00 0.00 H new ATOM 0 HA SER A 46 5.798 8.212 -8.091 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.323 6.158 -7.801 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.306 5.264 -8.913 1.00 0.00 H new ATOM 0 HG SER A 46 6.818 7.206 -10.410 1.00 0.00 H new ATOM 814 N ALA A 47 3.245 7.741 -9.424 1.00 0.00 N ATOM 815 CA ALA A 47 2.330 8.088 -10.546 1.00 0.00 C ATOM 816 C ALA A 47 2.243 9.621 -10.818 1.00 0.00 C ATOM 817 O ALA A 47 2.056 10.424 -9.897 1.00 0.00 O ATOM 818 CB ALA A 47 0.949 7.482 -10.232 1.00 0.00 C ATOM 0 H ALA A 47 2.784 7.721 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 47 2.728 7.667 -11.469 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.255 7.720 -11.038 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.039 6.400 -10.139 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.574 7.897 -9.296 1.00 0.00 H new ATOM 824 N VAL A 48 2.373 10.022 -12.094 1.00 0.00 N ATOM 825 CA VAL A 48 2.396 11.464 -12.506 1.00 0.00 C ATOM 826 C VAL A 48 1.553 11.686 -13.806 1.00 0.00 C ATOM 827 O VAL A 48 1.410 10.787 -14.643 1.00 0.00 O ATOM 828 CB VAL A 48 3.853 12.043 -12.644 1.00 0.00 C ATOM 829 CG1 VAL A 48 4.592 12.173 -11.294 1.00 0.00 C ATOM 830 CG2 VAL A 48 4.769 11.307 -13.651 1.00 0.00 C ATOM 0 H VAL A 48 2.466 9.372 -12.875 1.00 0.00 H new ATOM 0 HA VAL A 48 1.930 12.030 -11.699 1.00 0.00 H new ATOM 0 HB VAL A 48 3.664 13.036 -13.051 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.590 12.578 -11.463 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.035 12.842 -10.637 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.673 11.191 -10.828 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.748 11.785 -13.669 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.879 10.266 -13.349 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.325 11.351 -14.646 1.00 0.00 H new ATOM 840 N LYS A 49 1.010 12.906 -14.003 1.00 0.00 N ATOM 841 CA LYS A 49 0.294 13.264 -15.260 1.00 0.00 C ATOM 842 C LYS A 49 1.249 13.575 -16.459 1.00 0.00 C ATOM 843 O LYS A 49 1.984 14.567 -16.456 1.00 0.00 O ATOM 844 CB LYS A 49 -0.831 14.310 -15.035 1.00 0.00 C ATOM 845 CG LYS A 49 -0.475 15.757 -14.620 1.00 0.00 C ATOM 846 CD LYS A 49 -0.287 15.965 -13.101 1.00 0.00 C ATOM 847 CE LYS A 49 -0.237 17.449 -12.693 1.00 0.00 C ATOM 848 NZ LYS A 49 1.129 17.990 -12.848 1.00 0.00 N ATOM 0 H LYS A 49 1.050 13.660 -13.317 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.229 12.362 -15.577 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.406 14.371 -15.959 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.497 13.909 -14.271 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.443 16.051 -15.130 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.262 16.425 -14.970 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.104 15.476 -12.570 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.635 15.477 -12.785 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.932 18.023 -13.306 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.561 17.557 -11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.140 18.991 -12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.785 17.454 -12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.425 17.906 -13.841 1.00 0.00 H new ATOM 861 N VAL A 50 1.214 12.720 -17.499 1.00 0.00 N ATOM 862 CA VAL A 50 1.942 12.957 -18.780 1.00 0.00 C ATOM 863 C VAL A 50 1.158 13.977 -19.675 1.00 0.00 C ATOM 864 O VAL A 50 -0.047 13.825 -19.912 1.00 0.00 O ATOM 865 CB VAL A 50 2.284 11.588 -19.468 1.00 0.00 C ATOM 866 CG1 VAL A 50 1.082 10.754 -19.977 1.00 0.00 C ATOM 867 CG2 VAL A 50 3.289 11.747 -20.632 1.00 0.00 C ATOM 0 H VAL A 50 0.686 11.847 -17.485 1.00 0.00 H new ATOM 0 HA VAL A 50 2.905 13.432 -18.591 1.00 0.00 H new ATOM 0 HB VAL A 50 2.725 11.028 -18.643 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.445 9.832 -20.432 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.427 10.512 -19.140 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.527 11.330 -20.718 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.492 10.771 -21.073 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.867 12.407 -21.389 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.218 12.175 -20.255 1.00 0.00 H new ATOM 877 N ASP A 51 1.836 15.031 -20.169 1.00 0.00 N ATOM 878 CA ASP A 51 1.168 16.136 -20.914 1.00 0.00 C ATOM 879 C ASP A 51 0.763 15.719 -22.371 1.00 0.00 C ATOM 880 O ASP A 51 1.476 15.979 -23.345 1.00 0.00 O ATOM 881 CB ASP A 51 2.091 17.382 -20.831 1.00 0.00 C ATOM 882 CG ASP A 51 1.414 18.687 -21.254 1.00 0.00 C ATOM 883 OD1 ASP A 51 1.364 19.094 -22.410 1.00 0.00 O ATOM 884 OD2 ASP A 51 0.857 19.344 -20.200 1.00 0.00 O ATOM 0 H ASP A 51 2.844 15.148 -20.070 1.00 0.00 H new ATOM 0 HA ASP A 51 0.211 16.386 -20.456 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.452 17.487 -19.808 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.965 17.217 -21.461 1.00 0.00 H new ATOM 889 N LEU A 52 -0.417 15.084 -22.498 1.00 0.00 N ATOM 890 CA LEU A 52 -0.937 14.616 -23.814 1.00 0.00 C ATOM 891 C LEU A 52 -1.504 15.814 -24.645 1.00 0.00 C ATOM 892 O LEU A 52 -2.641 16.249 -24.437 1.00 0.00 O ATOM 893 CB LEU A 52 -1.999 13.494 -23.593 1.00 0.00 C ATOM 894 CG LEU A 52 -1.539 12.172 -22.918 1.00 0.00 C ATOM 895 CD1 LEU A 52 -2.744 11.252 -22.652 1.00 0.00 C ATOM 896 CD2 LEU A 52 -0.497 11.404 -23.753 1.00 0.00 C ATOM 0 H LEU A 52 -1.034 14.879 -21.712 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.119 14.191 -24.395 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.805 13.912 -22.991 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.424 13.242 -24.564 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.068 12.459 -21.978 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.402 10.332 -22.179 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.450 11.758 -21.993 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.235 11.014 -23.595 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.214 10.490 -23.231 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.924 11.150 -24.723 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.385 12.028 -23.897 1.00 0.00 H new ATOM 908 N ASN A 53 -0.674 16.375 -25.541 1.00 0.00 N ATOM 909 CA ASN A 53 -1.032 17.559 -26.369 1.00 0.00 C ATOM 910 C ASN A 53 -0.292 17.469 -27.745 1.00 0.00 C ATOM 911 O ASN A 53 0.928 17.279 -27.796 1.00 0.00 O ATOM 912 CB ASN A 53 -0.675 18.851 -25.581 1.00 0.00 C ATOM 913 CG ASN A 53 -1.235 20.134 -26.203 1.00 0.00 C ATOM 914 OD1 ASN A 53 -2.440 20.339 -26.276 1.00 0.00 O ATOM 915 ND2 ASN A 53 -0.400 21.024 -26.683 1.00 0.00 N ATOM 0 H ASN A 53 0.268 16.026 -25.718 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.102 17.584 -26.577 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.051 18.759 -24.562 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.410 18.935 -25.514 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.756 21.878 -27.112 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.606 20.862 -26.627 1.00 0.00 H new ATOM 922 N ARG A 54 -1.029 17.625 -28.859 1.00 0.00 N ATOM 923 CA ARG A 54 -0.449 17.523 -30.227 1.00 0.00 C ATOM 924 C ARG A 54 -0.080 18.939 -30.806 1.00 0.00 C ATOM 925 O ARG A 54 -1.010 19.706 -31.083 1.00 0.00 O ATOM 926 CB ARG A 54 -1.465 16.747 -31.115 1.00 0.00 C ATOM 927 CG ARG A 54 -0.948 16.284 -32.501 1.00 0.00 C ATOM 928 CD ARG A 54 0.079 15.132 -32.431 1.00 0.00 C ATOM 929 NE ARG A 54 0.466 14.643 -33.784 1.00 0.00 N ATOM 930 CZ ARG A 54 1.468 15.119 -34.528 1.00 0.00 C ATOM 931 NH1 ARG A 54 2.155 16.192 -34.221 1.00 0.00 N ATOM 932 NH2 ARG A 54 1.774 14.486 -35.624 1.00 0.00 N ATOM 0 H ARG A 54 -2.030 17.823 -28.848 1.00 0.00 H new ATOM 0 HA ARG A 54 0.493 16.975 -30.204 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.801 15.869 -30.564 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.339 17.380 -31.269 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.796 15.966 -33.107 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.493 17.133 -33.011 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.969 15.472 -31.901 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.340 14.308 -31.854 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.082 13.878 -34.177 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.935 16.713 -33.372 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.910 16.506 -34.831 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.253 13.651 -35.893 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.534 14.825 -36.213 1.00 0.00 H new ATOM 946 N PRO A 55 1.209 19.332 -31.046 1.00 0.00 N ATOM 947 CA PRO A 55 1.543 20.663 -31.630 1.00 0.00 C ATOM 948 C PRO A 55 1.278 20.764 -33.168 1.00 0.00 C ATOM 949 O PRO A 55 1.600 19.849 -33.937 1.00 0.00 O ATOM 950 CB PRO A 55 3.036 20.796 -31.272 1.00 0.00 C ATOM 951 CG PRO A 55 3.553 19.357 -31.272 1.00 0.00 C ATOM 952 CD PRO A 55 2.406 18.559 -30.651 1.00 0.00 C ATOM 0 HA PRO A 55 0.919 21.467 -31.240 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.567 21.410 -32.000 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.171 21.268 -30.299 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.780 19.013 -32.281 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.469 19.261 -30.689 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.371 17.539 -31.033 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.503 18.491 -29.567 1.00 0.00 H new ATOM 960 N VAL A 56 0.692 21.892 -33.607 1.00 0.00 N ATOM 961 CA VAL A 56 0.340 22.120 -35.040 1.00 0.00 C ATOM 962 C VAL A 56 0.377 23.651 -35.377 1.00 0.00 C ATOM 963 O VAL A 56 -0.233 24.470 -34.681 1.00 0.00 O ATOM 964 CB VAL A 56 -1.003 21.390 -35.407 1.00 0.00 C ATOM 965 CG1 VAL A 56 -2.289 21.992 -34.793 1.00 0.00 C ATOM 966 CG2 VAL A 56 -1.182 21.237 -36.929 1.00 0.00 C ATOM 0 H VAL A 56 0.447 22.670 -32.995 1.00 0.00 H new ATOM 0 HA VAL A 56 1.092 21.666 -35.686 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.882 20.411 -34.943 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.153 21.409 -35.113 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.218 21.969 -33.706 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.403 23.023 -35.127 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.123 20.727 -37.135 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.193 22.222 -37.395 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.356 20.653 -37.336 1.00 0.00 H new ATOM 976 N THR A 57 1.088 24.037 -36.454 1.00 0.00 N ATOM 977 CA THR A 57 1.157 25.454 -36.931 1.00 0.00 C ATOM 978 C THR A 57 1.341 25.510 -38.486 1.00 0.00 C ATOM 979 O THR A 57 2.077 24.706 -39.069 1.00 0.00 O ATOM 980 CB THR A 57 2.222 26.283 -36.141 1.00 0.00 C ATOM 981 OG1 THR A 57 2.129 27.653 -36.506 1.00 0.00 O ATOM 982 CG2 THR A 57 3.697 25.881 -36.312 1.00 0.00 C ATOM 0 H THR A 57 1.632 23.388 -37.023 1.00 0.00 H new ATOM 0 HA THR A 57 0.203 25.937 -36.717 1.00 0.00 H new ATOM 0 HB THR A 57 1.969 26.077 -35.101 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.796 28.170 -36.008 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.325 26.537 -35.710 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.833 24.850 -35.987 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.979 25.971 -37.361 1.00 0.00 H new ATOM 990 N GLY A 58 0.683 26.473 -39.157 1.00 0.00 N ATOM 991 CA GLY A 58 0.741 26.597 -40.639 1.00 0.00 C ATOM 992 C GLY A 58 0.307 27.981 -41.172 1.00 0.00 C ATOM 993 O GLY A 58 -0.722 28.522 -40.761 1.00 0.00 O ATOM 0 H GLY A 58 0.104 27.180 -38.704 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.759 26.395 -40.971 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.103 25.832 -41.082 1.00 0.00 H new ATOM 997 N SER A 59 1.087 28.541 -42.112 1.00 0.00 N ATOM 998 CA SER A 59 0.784 29.853 -42.757 1.00 0.00 C ATOM 999 C SER A 59 1.210 29.845 -44.262 1.00 0.00 C ATOM 1000 O SER A 59 2.258 29.295 -44.618 1.00 0.00 O ATOM 1001 CB SER A 59 1.504 30.973 -41.967 1.00 0.00 C ATOM 1002 OG SER A 59 1.095 32.265 -42.416 1.00 0.00 O ATOM 0 H SER A 59 1.945 28.108 -42.453 1.00 0.00 H new ATOM 0 HA SER A 59 -0.290 30.036 -42.734 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.287 30.869 -40.904 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.583 30.869 -42.084 1.00 0.00 H new ATOM 0 HG SER A 59 1.563 32.954 -41.900 1.00 0.00 H new ATOM 1008 N LEU A 60 0.398 30.454 -45.151 1.00 0.00 N ATOM 1009 CA LEU A 60 0.674 30.476 -46.620 1.00 0.00 C ATOM 1010 C LEU A 60 0.352 31.893 -47.199 1.00 0.00 C ATOM 1011 O LEU A 60 -0.772 32.391 -47.076 1.00 0.00 O ATOM 1012 CB LEU A 60 -0.105 29.307 -47.298 1.00 0.00 C ATOM 1013 CG LEU A 60 0.473 28.785 -48.644 1.00 0.00 C ATOM 1014 CD1 LEU A 60 0.030 27.332 -48.897 1.00 0.00 C ATOM 1015 CD2 LEU A 60 0.066 29.645 -49.854 1.00 0.00 C ATOM 0 H LEU A 60 -0.458 30.941 -44.886 1.00 0.00 H new ATOM 0 HA LEU A 60 1.730 30.308 -46.831 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.148 28.473 -46.598 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.131 29.633 -47.469 1.00 0.00 H new ATOM 0 HG LEU A 60 1.557 28.843 -48.544 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.444 26.985 -49.843 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.390 26.696 -48.088 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.058 27.285 -48.939 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.502 29.226 -50.761 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.020 29.655 -49.945 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.427 30.664 -49.714 1.00 0.00 H new ATOM 1027 N LEU A 61 1.355 32.544 -47.818 1.00 0.00 N ATOM 1028 CA LEU A 61 1.281 33.975 -48.237 1.00 0.00 C ATOM 1029 C LEU A 61 1.596 34.099 -49.764 1.00 0.00 C ATOM 1030 O LEU A 61 2.746 33.933 -50.183 1.00 0.00 O ATOM 1031 CB LEU A 61 2.256 34.797 -47.324 1.00 0.00 C ATOM 1032 CG LEU A 61 1.574 35.839 -46.397 1.00 0.00 C ATOM 1033 CD1 LEU A 61 2.422 36.113 -45.143 1.00 0.00 C ATOM 1034 CD2 LEU A 61 1.312 37.162 -47.139 1.00 0.00 C ATOM 0 H LEU A 61 2.245 32.101 -48.046 1.00 0.00 H new ATOM 0 HA LEU A 61 0.279 34.383 -48.107 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.823 34.101 -46.706 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.973 35.315 -47.960 1.00 0.00 H new ATOM 0 HG LEU A 61 0.619 35.413 -46.090 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.917 36.847 -44.515 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.555 35.187 -44.584 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.397 36.500 -45.440 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.834 37.870 -46.462 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.258 37.576 -47.489 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.659 36.978 -47.992 1.00 0.00 H new ATOM 1046 N LYS A 62 0.576 34.377 -50.603 1.00 0.00 N ATOM 1047 CA LYS A 62 0.735 34.427 -52.087 1.00 0.00 C ATOM 1048 C LYS A 62 0.918 35.889 -52.612 1.00 0.00 C ATOM 1049 O LYS A 62 0.104 36.774 -52.332 1.00 0.00 O ATOM 1050 CB LYS A 62 -0.474 33.693 -52.730 1.00 0.00 C ATOM 1051 CG LYS A 62 -0.305 33.391 -54.242 1.00 0.00 C ATOM 1052 CD LYS A 62 -1.303 32.347 -54.801 1.00 0.00 C ATOM 1053 CE LYS A 62 -2.535 32.897 -55.543 1.00 0.00 C ATOM 1054 NZ LYS A 62 -3.513 33.514 -54.626 1.00 0.00 N ATOM 0 H LYS A 62 -0.373 34.572 -50.284 1.00 0.00 H new ATOM 0 HA LYS A 62 1.652 33.915 -52.379 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.639 32.755 -52.200 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.369 34.299 -52.590 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.419 34.320 -54.801 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.710 33.036 -54.418 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.762 31.689 -55.481 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.652 31.731 -53.972 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.214 33.635 -56.278 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.016 32.088 -56.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.324 33.869 -55.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.841 32.805 -53.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.064 34.304 -54.120 1.00 0.00 H new ATOM 1067 N ARG A 63 1.986 36.133 -53.397 1.00 0.00 N ATOM 1068 CA ARG A 63 2.324 37.497 -53.896 1.00 0.00 C ATOM 1069 C ARG A 63 1.487 37.969 -55.133 1.00 0.00 C ATOM 1070 O ARG A 63 1.278 37.225 -56.099 1.00 0.00 O ATOM 1071 CB ARG A 63 3.870 37.617 -54.072 1.00 0.00 C ATOM 1072 CG ARG A 63 4.631 36.764 -55.130 1.00 0.00 C ATOM 1073 CD ARG A 63 4.662 37.313 -56.576 1.00 0.00 C ATOM 1074 NE ARG A 63 3.632 36.651 -57.424 1.00 0.00 N ATOM 1075 CZ ARG A 63 3.849 35.770 -58.401 1.00 0.00 C ATOM 1076 NH1 ARG A 63 5.039 35.364 -58.769 1.00 0.00 N ATOM 1077 NH2 ARG A 63 2.816 35.281 -59.022 1.00 0.00 N ATOM 0 H ARG A 63 2.635 35.408 -53.704 1.00 0.00 H new ATOM 0 HA ARG A 63 2.017 38.215 -53.136 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.085 38.663 -54.292 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.319 37.397 -53.103 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.660 36.641 -54.791 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.182 35.771 -55.153 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.490 38.389 -56.563 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.650 37.153 -57.008 1.00 0.00 H new ATOM 0 HE ARG A 63 2.660 36.897 -57.238 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.869 35.725 -58.299 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.135 34.687 -59.525 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.876 35.574 -58.757 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.946 34.605 -59.774 1.00 0.00 H new ATOM 1091 N ILE A 64 1.053 39.241 -55.112 1.00 0.00 N ATOM 1092 CA ILE A 64 0.350 39.900 -56.256 1.00 0.00 C ATOM 1093 C ILE A 64 1.190 41.148 -56.708 1.00 0.00 C ATOM 1094 O ILE A 64 0.934 42.277 -56.283 1.00 0.00 O ATOM 1095 CB ILE A 64 -1.164 40.150 -55.891 1.00 0.00 C ATOM 1096 CG1 ILE A 64 -2.028 40.576 -57.117 1.00 0.00 C ATOM 1097 CG2 ILE A 64 -1.427 41.124 -54.710 1.00 0.00 C ATOM 1098 CD1 ILE A 64 -2.588 39.394 -57.927 1.00 0.00 C ATOM 0 H ILE A 64 1.174 39.853 -54.305 1.00 0.00 H new ATOM 0 HA ILE A 64 0.294 39.262 -57.138 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.478 39.164 -55.549 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.858 41.190 -56.768 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.424 41.201 -57.775 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.501 41.220 -54.549 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.958 40.735 -53.806 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.007 42.102 -54.945 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.177 39.772 -58.762 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.764 38.791 -58.308 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.220 38.780 -57.285 1.00 0.00 H new ATOM 1110 N ARG A 65 2.229 40.947 -57.548 1.00 0.00 N ATOM 1111 CA ARG A 65 3.142 42.047 -57.985 1.00 0.00 C ATOM 1112 C ARG A 65 2.921 42.409 -59.487 1.00 0.00 C ATOM 1113 O ARG A 65 2.954 41.534 -60.358 1.00 0.00 O ATOM 1114 CB ARG A 65 4.610 41.641 -57.670 1.00 0.00 C ATOM 1115 CG ARG A 65 5.591 42.841 -57.632 1.00 0.00 C ATOM 1116 CD ARG A 65 7.011 42.462 -57.152 1.00 0.00 C ATOM 1117 NE ARG A 65 7.712 43.622 -56.526 1.00 0.00 N ATOM 1118 CZ ARG A 65 7.566 44.022 -55.257 1.00 0.00 C ATOM 1119 NH1 ARG A 65 6.740 43.454 -54.412 1.00 0.00 N ATOM 1120 NH2 ARG A 65 8.270 45.032 -54.836 1.00 0.00 N ATOM 0 H ARG A 65 2.463 40.036 -57.942 1.00 0.00 H new ATOM 0 HA ARG A 65 2.914 42.957 -57.429 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.638 41.129 -56.708 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.950 40.928 -58.421 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.657 43.277 -58.629 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.187 43.610 -56.974 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.946 41.645 -56.433 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.595 42.097 -57.997 1.00 0.00 H new ATOM 0 HE ARG A 65 8.355 44.153 -57.113 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.167 42.665 -54.711 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.670 43.801 -53.456 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.917 45.502 -55.469 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.175 45.354 -53.873 1.00 0.00 H new ATOM 1134 N ASN A 66 2.712 43.706 -59.776 1.00 0.00 N ATOM 1135 CA ASN A 66 2.459 44.210 -61.157 1.00 0.00 C ATOM 1136 C ASN A 66 3.655 45.066 -61.714 1.00 0.00 C ATOM 1137 O ASN A 66 4.560 45.478 -60.977 1.00 0.00 O ATOM 1138 CB ASN A 66 1.101 44.978 -61.101 1.00 0.00 C ATOM 1139 CG ASN A 66 0.324 44.965 -62.423 1.00 0.00 C ATOM 1140 OD1 ASN A 66 0.672 45.633 -63.389 1.00 0.00 O ATOM 1141 ND2 ASN A 66 -0.722 44.183 -62.531 1.00 0.00 N ATOM 0 H ASN A 66 2.712 44.440 -59.068 1.00 0.00 H new ATOM 0 HA ASN A 66 2.388 43.389 -61.871 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.479 44.539 -60.321 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.291 46.012 -60.813 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.235 44.136 -63.411 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.023 43.621 -61.735 1.00 0.00 H new ATOM 1148 N GLY A 67 3.643 45.333 -63.032 1.00 0.00 N ATOM 1149 CA GLY A 67 4.626 46.248 -63.679 1.00 0.00 C ATOM 1150 C GLY A 67 4.097 47.672 -63.983 1.00 0.00 C ATOM 1151 O GLY A 67 3.051 48.103 -63.490 1.00 0.00 O ATOM 0 H GLY A 67 2.965 44.931 -63.679 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.500 46.332 -63.033 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.961 45.795 -64.612 1.00 0.00 H new ATOM 1155 N LYS A 68 4.851 48.411 -64.812 1.00 0.00 N ATOM 1156 CA LYS A 68 4.458 49.775 -65.271 1.00 0.00 C ATOM 1157 C LYS A 68 4.855 49.967 -66.770 1.00 0.00 C ATOM 1158 O LYS A 68 6.006 49.743 -67.161 1.00 0.00 O ATOM 1159 CB LYS A 68 5.094 50.843 -64.332 1.00 0.00 C ATOM 1160 CG LYS A 68 4.727 52.326 -64.611 1.00 0.00 C ATOM 1161 CD LYS A 68 3.244 52.719 -64.417 1.00 0.00 C ATOM 1162 CE LYS A 68 2.805 52.800 -62.945 1.00 0.00 C ATOM 1163 NZ LYS A 68 1.378 53.169 -62.867 1.00 0.00 N ATOM 0 H LYS A 68 5.745 48.093 -65.187 1.00 0.00 H new ATOM 0 HA LYS A 68 3.377 49.899 -65.214 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.807 50.609 -63.307 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.178 50.744 -64.390 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.334 52.956 -63.961 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.010 52.560 -65.637 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.070 53.685 -64.891 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.616 51.993 -64.933 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.969 51.841 -62.454 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.410 53.537 -62.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.087 53.222 -61.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.233 54.094 -63.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.807 52.451 -63.356 1.00 0.00 H new ATOM 1176 N LYS A 69 3.894 50.411 -67.598 1.00 0.00 N ATOM 1177 CA LYS A 69 4.099 50.655 -69.052 1.00 0.00 C ATOM 1178 C LYS A 69 3.815 52.155 -69.387 1.00 0.00 C ATOM 1179 O LYS A 69 2.660 52.591 -69.434 1.00 0.00 O ATOM 1180 CB LYS A 69 3.290 49.634 -69.913 1.00 0.00 C ATOM 1181 CG LYS A 69 1.758 49.480 -69.698 1.00 0.00 C ATOM 1182 CD LYS A 69 1.370 48.425 -68.638 1.00 0.00 C ATOM 1183 CE LYS A 69 -0.148 48.350 -68.416 1.00 0.00 C ATOM 1184 NZ LYS A 69 -0.463 47.333 -67.395 1.00 0.00 N ATOM 0 H LYS A 69 2.945 50.614 -67.284 1.00 0.00 H new ATOM 0 HA LYS A 69 5.142 50.478 -69.315 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.446 49.897 -70.959 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.739 48.653 -69.760 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.345 50.445 -69.402 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.294 49.212 -70.647 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.738 47.448 -68.950 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.861 48.664 -67.695 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.525 49.323 -68.100 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.648 48.103 -69.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.492 47.291 -67.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.119 46.404 -67.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.000 47.586 -66.499 1.00 0.00 H new ATOM 1197 N ALA A 70 4.879 52.954 -69.600 1.00 0.00 N ATOM 1198 CA ALA A 70 4.761 54.407 -69.900 1.00 0.00 C ATOM 1199 C ALA A 70 5.866 54.891 -70.894 1.00 0.00 C ATOM 1200 O ALA A 70 7.029 54.482 -70.816 1.00 0.00 O ATOM 1201 CB ALA A 70 4.828 55.179 -68.564 1.00 0.00 C ATOM 0 H ALA A 70 5.842 52.619 -69.571 1.00 0.00 H new ATOM 0 HA ALA A 70 3.809 54.598 -70.394 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.744 56.248 -68.757 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.009 54.861 -67.919 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.779 54.973 -68.072 1.00 0.00 H new ATOM 1207 N LYS A 71 5.499 55.803 -71.814 1.00 0.00 N ATOM 1208 CA LYS A 71 6.463 56.445 -72.755 1.00 0.00 C ATOM 1209 C LYS A 71 7.271 57.606 -72.084 1.00 0.00 C ATOM 1210 O LYS A 71 6.706 58.493 -71.437 1.00 0.00 O ATOM 1211 CB LYS A 71 5.672 56.929 -74.008 1.00 0.00 C ATOM 1212 CG LYS A 71 5.596 55.885 -75.148 1.00 0.00 C ATOM 1213 CD LYS A 71 4.444 56.150 -76.141 1.00 0.00 C ATOM 1214 CE LYS A 71 4.517 55.302 -77.425 1.00 0.00 C ATOM 1215 NZ LYS A 71 5.406 55.922 -78.429 1.00 0.00 N ATOM 0 H LYS A 71 4.537 56.120 -71.933 1.00 0.00 H new ATOM 0 HA LYS A 71 7.213 55.713 -73.055 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.659 57.195 -73.705 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.139 57.836 -74.391 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.541 55.880 -75.691 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.472 54.892 -74.715 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.495 55.954 -75.642 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.449 57.205 -76.414 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.879 54.303 -77.183 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.517 55.186 -77.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.434 55.328 -79.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.045 56.866 -78.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.365 56.010 -78.036 1.00 0.00 H new ATOM 1228 N SER A 72 8.603 57.600 -72.266 1.00 0.00 N ATOM 1229 CA SER A 72 9.516 58.605 -71.657 1.00 0.00 C ATOM 1230 C SER A 72 9.518 59.988 -72.362 1.00 0.00 C ATOM 1231 O SER A 72 9.547 61.016 -71.684 1.00 0.00 O ATOM 1232 CB SER A 72 10.934 57.989 -71.591 1.00 0.00 C ATOM 1233 OG SER A 72 11.475 57.733 -72.891 1.00 0.00 O ATOM 1234 OXT SER A 72 9.502 60.089 -73.591 1.00 0.00 O ATOM 0 H SER A 72 9.084 56.904 -72.836 1.00 0.00 H new ATOM 0 HA SER A 72 9.145 58.827 -70.656 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.597 58.665 -71.051 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.898 57.058 -71.025 1.00 0.00 H new ATOM 0 HG SER A 72 12.371 57.346 -72.802 1.00 0.00 H new TER 1240 SER A 72