USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 799 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 39 TYR OH : rot 149:sc= -0.43 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -175:sc= 0.722 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -137:sc= -0.792 (180deg=-2.07!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0.178 USER MOD Single : A 14 MET CE :methyl -167:sc= -3.08 (180deg=-4.37!) USER MOD Single : A 15 MET CE :methyl -146:sc= -5.41 (180deg=-7.57!) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0122) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 172:sc=-0.00073 (180deg=-0.12) USER MOD Single : A 34 ASN : amide:sc= -0.634 K(o=-0.63,f=-3.7!) USER MOD Single : A 37 SER OG : rot 45:sc= 1.02 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0853 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -120:sc= -2.02 (180deg=-5.29!) USER MOD Single : A 56 ASN : amide:sc= -7.92! C(o=-7.9!,f=-13!) USER MOD Single : A 58 CYS SG : rot 24:sc= 0.724 USER MOD Single : A 61 SER OG : rot 30:sc= 0.07 USER MOD Single : A 65 LYS NZ :NH3+ -160:sc= -0.0139 (180deg=-0.188) USER MOD Single : A 68 LYS NZ :NH3+ -168:sc=-0.00457 (180deg=-0.124) USER MOD Single : A 69 LYS NZ :NH3+ -106:sc= 1.21 (180deg=-0.0456) USER MOD Single : A 70 CYS SG : rot 160:sc= -1.14 USER MOD Single : A 75 LYS NZ :NH3+ -146:sc= -0.108 (180deg=-1.37) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -174:sc= -1.19 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -164:sc=-0.00356 (180deg=-0.113) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 156:sc= -0.0926 (180deg=-0.472) USER MOD Single : A 92 GLN : amide:sc= -0.0512 K(o=-0.051,f=-1.8!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 84:sc= 1.16 USER MOD Single : A 101 THR OG1 : rot 72:sc= 0.683 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.745 F(o=-2.1!,f=-0.74) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -12.122 8.465 -1.936 1.00 0.00 N ATOM 67 CA VAL A 8 -10.774 8.858 -1.544 1.00 0.00 C ATOM 68 C VAL A 8 -10.710 9.195 -0.058 1.00 0.00 C ATOM 69 O VAL A 8 -11.232 10.221 0.380 1.00 0.00 O ATOM 70 CB VAL A 8 -10.284 10.072 -2.356 1.00 0.00 C ATOM 71 CG1 VAL A 8 -8.898 10.498 -1.897 1.00 0.00 C ATOM 72 CG2 VAL A 8 -10.288 9.753 -3.844 1.00 0.00 C ATOM 0 HA VAL A 8 -10.124 8.007 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.968 10.903 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.569 11.357 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.932 10.769 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.199 9.674 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.939 10.621 -4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.627 8.908 -4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.301 9.501 -4.159 1.00 0.00 H new ATOM 82 N LEU A 9 -10.067 8.325 0.713 1.00 0.00 N ATOM 83 CA LEU A 9 -9.934 8.530 2.151 1.00 0.00 C ATOM 84 C LEU A 9 -8.702 9.372 2.469 1.00 0.00 C ATOM 85 O LEU A 9 -8.796 10.401 3.139 1.00 0.00 O ATOM 86 CB LEU A 9 -9.845 7.184 2.872 1.00 0.00 C ATOM 87 CG LEU A 9 -10.871 6.131 2.454 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.553 4.791 3.099 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.278 6.581 2.822 1.00 0.00 C ATOM 0 H LEU A 9 -9.630 7.471 0.367 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.817 9.065 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.848 6.774 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.950 7.360 3.943 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.820 6.012 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.294 4.054 2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.562 4.463 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.575 4.895 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.995 5.819 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.342 6.729 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.505 7.518 2.313 1.00 0.00 H new ATOM 101 N LYS A 10 -7.548 8.931 1.981 1.00 0.00 N ATOM 102 CA LYS A 10 -6.297 9.644 2.210 1.00 0.00 C ATOM 103 C LYS A 10 -5.615 9.983 0.888 1.00 0.00 C ATOM 104 O LYS A 10 -5.804 9.293 -0.113 1.00 0.00 O ATOM 105 CB LYS A 10 -5.358 8.805 3.080 1.00 0.00 C ATOM 106 CG LYS A 10 -4.459 9.634 3.980 1.00 0.00 C ATOM 107 CD LYS A 10 -3.477 8.762 4.744 1.00 0.00 C ATOM 108 CE LYS A 10 -3.124 9.370 6.093 1.00 0.00 C ATOM 109 NZ LYS A 10 -4.273 9.324 7.039 1.00 0.00 N ATOM 0 H LYS A 10 -7.453 8.082 1.424 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.528 10.574 2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.953 8.131 3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.738 8.183 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.911 10.360 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.069 10.199 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.907 7.771 4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.570 8.631 4.154 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.278 8.834 6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.809 10.404 5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.343 10.230 7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.152 9.155 6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.128 8.555 7.724 1.00 0.00 H new ATOM 123 N GLN A 11 -4.821 11.049 0.894 1.00 0.00 N ATOM 124 CA GLN A 11 -4.110 11.478 -0.305 1.00 0.00 C ATOM 125 C GLN A 11 -2.907 12.343 0.055 1.00 0.00 C ATOM 126 O GLN A 11 -3.030 13.319 0.794 1.00 0.00 O ATOM 127 CB GLN A 11 -5.050 12.252 -1.231 1.00 0.00 C ATOM 128 CG GLN A 11 -5.640 13.500 -0.595 1.00 0.00 C ATOM 129 CD GLN A 11 -6.818 14.052 -1.374 1.00 0.00 C ATOM 130 OE1 GLN A 11 -7.921 14.183 -0.842 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.590 14.378 -2.640 1.00 0.00 N ATOM 0 H GLN A 11 -4.654 11.631 1.715 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.752 10.588 -0.822 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.506 12.536 -2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.862 11.595 -1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.958 13.269 0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.867 14.265 -0.521 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.660 14.253 -3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.345 14.754 -3.214 1.00 0.00 H new ATOM 140 N GLY A 12 -1.742 11.977 -0.472 1.00 0.00 N ATOM 141 CA GLY A 12 -0.533 12.730 -0.194 1.00 0.00 C ATOM 142 C GLY A 12 0.657 12.230 -0.989 1.00 0.00 C ATOM 143 O GLY A 12 0.636 11.119 -1.519 1.00 0.00 O ATOM 0 H GLY A 12 -1.614 11.173 -1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.703 13.782 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.307 12.668 0.870 1.00 0.00 H new ATOM 147 N TYR A 13 1.697 13.052 -1.075 1.00 0.00 N ATOM 148 CA TYR A 13 2.899 12.689 -1.815 1.00 0.00 C ATOM 149 C TYR A 13 3.813 11.806 -0.970 1.00 0.00 C ATOM 150 O TYR A 13 4.380 12.254 0.026 1.00 0.00 O ATOM 151 CB TYR A 13 3.651 13.946 -2.255 1.00 0.00 C ATOM 152 CG TYR A 13 3.226 14.462 -3.611 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.178 13.618 -4.714 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.873 15.794 -3.790 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.791 14.085 -5.955 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.483 16.269 -5.027 1.00 0.00 C ATOM 157 CZ TYR A 13 2.444 15.411 -6.107 1.00 0.00 C ATOM 158 OH TYR A 13 2.057 15.880 -7.341 1.00 0.00 O ATOM 0 H TYR A 13 1.731 13.974 -0.641 1.00 0.00 H new ATOM 0 HA TYR A 13 2.596 12.127 -2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.497 14.730 -1.513 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.719 13.731 -2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.448 12.579 -4.599 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.904 16.469 -2.948 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.760 13.415 -6.802 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.210 17.307 -5.148 1.00 0.00 H new ATOM 0 HH TYR A 13 1.845 16.835 -7.276 1.00 0.00 H new ATOM 168 N MET A 14 3.951 10.548 -1.377 1.00 0.00 N ATOM 169 CA MET A 14 4.797 9.602 -0.660 1.00 0.00 C ATOM 170 C MET A 14 5.883 9.043 -1.574 1.00 0.00 C ATOM 171 O MET A 14 5.741 9.047 -2.796 1.00 0.00 O ATOM 172 CB MET A 14 3.953 8.458 -0.094 1.00 0.00 C ATOM 173 CG MET A 14 3.012 8.891 1.019 1.00 0.00 C ATOM 174 SD MET A 14 2.410 7.502 1.999 1.00 0.00 S ATOM 175 CE MET A 14 1.352 6.682 0.811 1.00 0.00 C ATOM 0 H MET A 14 3.488 10.161 -2.199 1.00 0.00 H new ATOM 0 HA MET A 14 5.276 10.133 0.163 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.369 8.014 -0.901 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.617 7.680 0.284 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.528 9.595 1.672 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.163 9.420 0.586 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.732 5.946 1.323 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.713 7.418 0.323 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.966 6.181 0.062 1.00 0.00 H new ATOM 185 N MET A 15 6.967 8.563 -0.972 1.00 0.00 N ATOM 186 CA MET A 15 8.076 8.001 -1.733 1.00 0.00 C ATOM 187 C MET A 15 7.974 6.480 -1.799 1.00 0.00 C ATOM 188 O MET A 15 7.941 5.804 -0.771 1.00 0.00 O ATOM 189 CB MET A 15 9.411 8.407 -1.105 1.00 0.00 C ATOM 190 CG MET A 15 9.853 9.814 -1.472 1.00 0.00 C ATOM 191 SD MET A 15 11.632 10.050 -1.302 1.00 0.00 S ATOM 192 CE MET A 15 12.109 10.268 -3.015 1.00 0.00 C ATOM 0 H MET A 15 7.100 8.552 0.039 1.00 0.00 H new ATOM 0 HA MET A 15 8.025 8.396 -2.748 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.331 8.332 -0.021 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.180 7.700 -1.418 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.559 10.026 -2.500 1.00 0.00 H new ATOM 0 HG3 MET A 15 9.333 10.531 -0.837 1.00 0.00 H new ATOM 0 HE1 MET A 15 13.098 9.839 -3.175 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.388 9.767 -3.660 1.00 0.00 H new ATOM 0 HE3 MET A 15 12.132 11.331 -3.254 1.00 0.00 H new ATOM 202 N LYS A 16 7.923 5.948 -3.016 1.00 0.00 N ATOM 203 CA LYS A 16 7.826 4.507 -3.218 1.00 0.00 C ATOM 204 C LYS A 16 9.114 3.953 -3.817 1.00 0.00 C ATOM 205 O LYS A 16 9.605 4.452 -4.830 1.00 0.00 O ATOM 206 CB LYS A 16 6.643 4.178 -4.131 1.00 0.00 C ATOM 207 CG LYS A 16 6.772 2.839 -4.836 1.00 0.00 C ATOM 208 CD LYS A 16 5.412 2.241 -5.151 1.00 0.00 C ATOM 209 CE LYS A 16 4.808 2.858 -6.404 1.00 0.00 C ATOM 210 NZ LYS A 16 5.426 2.311 -7.644 1.00 0.00 N ATOM 0 H LYS A 16 7.947 6.494 -3.877 1.00 0.00 H new ATOM 0 HA LYS A 16 7.668 4.039 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.727 4.181 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.542 4.965 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.337 2.966 -5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.337 2.150 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.509 1.164 -5.285 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.740 2.398 -4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.734 2.671 -6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.942 3.939 -6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.910 2.665 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.420 2.613 -7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.381 1.272 -7.625 1.00 0.00 H new ATOM 224 N LYS A 17 9.658 2.917 -3.187 1.00 0.00 N ATOM 225 CA LYS A 17 10.887 2.293 -3.659 1.00 0.00 C ATOM 226 C LYS A 17 10.667 1.602 -5.001 1.00 0.00 C ATOM 227 O LYS A 17 9.869 0.671 -5.107 1.00 0.00 O ATOM 228 CB LYS A 17 11.397 1.281 -2.630 1.00 0.00 C ATOM 229 CG LYS A 17 12.896 1.044 -2.701 1.00 0.00 C ATOM 230 CD LYS A 17 13.422 0.416 -1.422 1.00 0.00 C ATOM 231 CE LYS A 17 14.939 0.496 -1.345 1.00 0.00 C ATOM 232 NZ LYS A 17 15.593 -0.357 -2.376 1.00 0.00 N ATOM 0 H LYS A 17 9.266 2.492 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 17 11.634 3.076 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.140 1.631 -1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.880 0.333 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.123 0.395 -3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.407 1.990 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.986 0.922 -0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.108 -0.627 -1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.255 1.531 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.269 0.185 -0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.626 -0.275 -2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.312 -1.348 -2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.298 -0.044 -3.323 1.00 0.00 H new ATOM 355 N TRP A 24 14.421 6.318 -4.609 1.00 0.00 N ATOM 356 CA TRP A 24 13.141 6.768 -4.074 1.00 0.00 C ATOM 357 C TRP A 24 12.592 7.937 -4.885 1.00 0.00 C ATOM 358 O TRP A 24 13.338 8.828 -5.292 1.00 0.00 O ATOM 359 CB TRP A 24 13.293 7.176 -2.608 1.00 0.00 C ATOM 360 CG TRP A 24 13.664 6.035 -1.710 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.923 5.669 -1.327 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.768 5.110 -1.083 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.863 4.572 -0.501 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.553 4.211 -0.335 1.00 0.00 C ATOM 365 CE3 TRP A 24 11.379 4.956 -1.080 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.993 3.174 0.406 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.825 3.925 -0.344 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.631 3.046 0.391 1.00 0.00 C ATOM 0 HA TRP A 24 12.436 5.940 -4.143 1.00 0.00 H new ATOM 0 HB2 TRP A 24 14.055 7.952 -2.531 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.357 7.613 -2.261 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.832 6.168 -1.629 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.665 4.103 -0.080 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.750 5.630 -1.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.612 2.494 0.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.753 3.795 -0.336 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.168 2.251 0.957 1.00 0.00 H new ATOM 379 N THR A 25 11.284 7.928 -5.118 1.00 0.00 N ATOM 380 CA THR A 25 10.636 8.987 -5.881 1.00 0.00 C ATOM 381 C THR A 25 9.268 9.326 -5.299 1.00 0.00 C ATOM 382 O THR A 25 8.524 8.439 -4.883 1.00 0.00 O ATOM 383 CB THR A 25 10.467 8.591 -7.360 1.00 0.00 C ATOM 384 OG1 THR A 25 9.820 7.317 -7.456 1.00 0.00 O ATOM 385 CG2 THR A 25 11.816 8.533 -8.062 1.00 0.00 C ATOM 0 H THR A 25 10.652 7.198 -4.789 1.00 0.00 H new ATOM 0 HA THR A 25 11.282 9.862 -5.818 1.00 0.00 H new ATOM 0 HB THR A 25 9.853 9.348 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.715 7.074 -8.399 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.672 8.251 -9.105 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.294 9.511 -8.013 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.450 7.795 -7.571 1.00 0.00 H new ATOM 393 N GLU A 26 8.944 10.615 -5.275 1.00 0.00 N ATOM 394 CA GLU A 26 7.665 11.071 -4.743 1.00 0.00 C ATOM 395 C GLU A 26 6.526 10.732 -5.701 1.00 0.00 C ATOM 396 O GLU A 26 6.650 10.901 -6.914 1.00 0.00 O ATOM 397 CB GLU A 26 7.701 12.579 -4.489 1.00 0.00 C ATOM 398 CG GLU A 26 6.739 13.037 -3.405 1.00 0.00 C ATOM 399 CD GLU A 26 7.369 13.029 -2.026 1.00 0.00 C ATOM 400 OE1 GLU A 26 7.445 11.943 -1.415 1.00 0.00 O ATOM 401 OE2 GLU A 26 7.784 14.109 -1.557 1.00 0.00 O ATOM 0 H GLU A 26 9.549 11.361 -5.617 1.00 0.00 H new ATOM 0 HA GLU A 26 7.489 10.556 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.714 12.868 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.465 13.101 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.390 14.044 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.863 12.389 -3.404 1.00 0.00 H new ATOM 408 N ARG A 27 5.417 10.253 -5.146 1.00 0.00 N ATOM 409 CA ARG A 27 4.257 9.888 -5.950 1.00 0.00 C ATOM 410 C ARG A 27 2.963 10.123 -5.176 1.00 0.00 C ATOM 411 O ARG A 27 2.896 9.876 -3.972 1.00 0.00 O ATOM 412 CB ARG A 27 4.348 8.423 -6.380 1.00 0.00 C ATOM 413 CG ARG A 27 5.127 8.214 -7.668 1.00 0.00 C ATOM 414 CD ARG A 27 4.234 8.363 -8.890 1.00 0.00 C ATOM 415 NE ARG A 27 3.649 7.089 -9.299 1.00 0.00 N ATOM 416 CZ ARG A 27 4.335 6.125 -9.903 1.00 0.00 C ATOM 417 NH1 ARG A 27 5.624 6.289 -10.166 1.00 0.00 N ATOM 418 NH2 ARG A 27 3.731 4.994 -10.244 1.00 0.00 N ATOM 0 H ARG A 27 5.298 10.109 -4.143 1.00 0.00 H new ATOM 0 HA ARG A 27 4.249 10.520 -6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.819 7.848 -5.583 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.340 8.027 -6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.943 8.935 -7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.578 7.222 -7.665 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.437 9.074 -8.672 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.814 8.777 -9.715 1.00 0.00 H new ATOM 0 HE ARG A 27 2.659 6.931 -9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.091 7.157 -9.904 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.148 5.547 -10.630 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.740 4.864 -10.042 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.258 4.254 -10.708 1.00 0.00 H new ATOM 432 N TRP A 28 1.940 10.601 -5.874 1.00 0.00 N ATOM 433 CA TRP A 28 0.649 10.870 -5.252 1.00 0.00 C ATOM 434 C TRP A 28 -0.127 9.576 -5.028 1.00 0.00 C ATOM 435 O TRP A 28 -0.351 8.806 -5.962 1.00 0.00 O ATOM 436 CB TRP A 28 -0.170 11.827 -6.120 1.00 0.00 C ATOM 437 CG TRP A 28 -1.306 12.470 -5.385 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.640 12.257 -5.590 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.209 13.433 -4.330 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.377 13.030 -4.725 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.523 13.759 -3.941 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.140 14.049 -3.674 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.793 14.675 -2.928 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.410 14.958 -2.669 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.727 15.263 -2.303 1.00 0.00 C ATOM 0 H TRP A 28 1.979 10.810 -6.871 1.00 0.00 H new ATOM 0 HA TRP A 28 0.830 11.336 -4.283 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.487 12.604 -6.511 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.564 11.282 -6.978 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.054 11.581 -6.323 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.395 13.056 -4.675 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.879 13.819 -3.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.808 14.913 -2.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.409 15.442 -2.157 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.905 15.976 -1.512 1.00 0.00 H new ATOM 456 N PHE A 29 -0.536 9.344 -3.785 1.00 0.00 N ATOM 457 CA PHE A 29 -1.287 8.142 -3.440 1.00 0.00 C ATOM 458 C PHE A 29 -2.742 8.481 -3.130 1.00 0.00 C ATOM 459 O PHE A 29 -3.045 9.560 -2.621 1.00 0.00 O ATOM 460 CB PHE A 29 -0.647 7.444 -2.238 1.00 0.00 C ATOM 461 CG PHE A 29 0.483 6.526 -2.610 1.00 0.00 C ATOM 462 CD1 PHE A 29 1.774 7.012 -2.736 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.253 5.178 -2.833 1.00 0.00 C ATOM 464 CE1 PHE A 29 2.816 6.170 -3.078 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.291 4.332 -3.174 1.00 0.00 C ATOM 466 CZ PHE A 29 2.574 4.829 -3.298 1.00 0.00 C ATOM 0 H PHE A 29 -0.360 9.972 -3.000 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.264 7.469 -4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.278 8.199 -1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.411 6.872 -1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.969 8.060 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.748 4.784 -2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.818 6.561 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.099 3.283 -3.343 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.386 4.170 -3.567 1.00 0.00 H new ATOM 476 N VAL A 30 -3.639 7.551 -3.442 1.00 0.00 N ATOM 477 CA VAL A 30 -5.062 7.749 -3.197 1.00 0.00 C ATOM 478 C VAL A 30 -5.680 6.527 -2.528 1.00 0.00 C ATOM 479 O VAL A 30 -6.201 5.634 -3.198 1.00 0.00 O ATOM 480 CB VAL A 30 -5.821 8.042 -4.505 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.308 8.210 -4.234 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.252 9.279 -5.185 1.00 0.00 C ATOM 0 H VAL A 30 -3.405 6.653 -3.865 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.152 8.608 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.692 7.193 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.827 8.416 -5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.703 7.295 -3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.461 9.040 -3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.800 9.472 -6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.349 10.137 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.199 9.116 -5.416 1.00 0.00 H new ATOM 492 N LEU A 31 -5.620 6.492 -1.201 1.00 0.00 N ATOM 493 CA LEU A 31 -6.174 5.379 -0.438 1.00 0.00 C ATOM 494 C LEU A 31 -7.687 5.297 -0.617 1.00 0.00 C ATOM 495 O LEU A 31 -8.441 6.011 0.045 1.00 0.00 O ATOM 496 CB LEU A 31 -5.831 5.530 1.045 1.00 0.00 C ATOM 497 CG LEU A 31 -6.637 4.661 2.012 1.00 0.00 C ATOM 498 CD1 LEU A 31 -6.626 3.209 1.560 1.00 0.00 C ATOM 499 CD2 LEU A 31 -6.087 4.787 3.425 1.00 0.00 C ATOM 0 H LEU A 31 -5.193 7.222 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.731 4.456 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.774 5.302 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.969 6.574 1.325 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.669 5.011 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.204 2.606 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.067 3.134 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.599 2.845 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.672 4.162 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.046 4.463 3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.148 5.826 3.748 1.00 0.00 H new ATOM 511 N LYS A 32 -8.125 4.419 -1.513 1.00 0.00 N ATOM 512 CA LYS A 32 -9.548 4.240 -1.777 1.00 0.00 C ATOM 513 C LYS A 32 -10.186 3.336 -0.726 1.00 0.00 C ATOM 514 O LYS A 32 -9.505 2.615 0.003 1.00 0.00 O ATOM 515 CB LYS A 32 -9.758 3.646 -3.171 1.00 0.00 C ATOM 516 CG LYS A 32 -9.867 4.692 -4.267 1.00 0.00 C ATOM 517 CD LYS A 32 -11.215 5.392 -4.239 1.00 0.00 C ATOM 518 CE LYS A 32 -11.269 6.538 -5.238 1.00 0.00 C ATOM 519 NZ LYS A 32 -11.037 6.069 -6.632 1.00 0.00 N ATOM 0 H LYS A 32 -7.515 3.820 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.027 5.218 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.929 2.976 -3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.665 3.041 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.072 5.428 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.722 4.219 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.004 4.674 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.408 5.773 -3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.241 7.028 -5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.519 7.284 -4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.215 6.850 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.053 5.748 -6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.681 5.281 -6.845 1.00 0.00 H new ATOM 533 N PRO A 33 -11.524 3.373 -0.647 1.00 0.00 N ATOM 534 CA PRO A 33 -12.283 2.561 0.309 1.00 0.00 C ATOM 535 C PRO A 33 -12.247 1.076 -0.033 1.00 0.00 C ATOM 536 O PRO A 33 -12.397 0.224 0.841 1.00 0.00 O ATOM 537 CB PRO A 33 -13.709 3.104 0.182 1.00 0.00 C ATOM 538 CG PRO A 33 -13.775 3.676 -1.192 1.00 0.00 C ATOM 539 CD PRO A 33 -12.400 4.209 -1.486 1.00 0.00 C ATOM 0 HA PRO A 33 -11.873 2.630 1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.447 2.314 0.318 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.912 3.863 0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.062 2.915 -1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.521 4.469 -1.249 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.151 4.117 -2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.315 5.265 -1.229 1.00 0.00 H new ATOM 547 N ASN A 34 -12.045 0.773 -1.312 1.00 0.00 N ATOM 548 CA ASN A 34 -11.988 -0.611 -1.770 1.00 0.00 C ATOM 549 C ASN A 34 -10.817 -0.821 -2.724 1.00 0.00 C ATOM 550 O ASN A 34 -10.847 -1.711 -3.573 1.00 0.00 O ATOM 551 CB ASN A 34 -13.298 -0.995 -2.460 1.00 0.00 C ATOM 552 CG ASN A 34 -14.478 -0.989 -1.507 1.00 0.00 C ATOM 553 OD1 ASN A 34 -14.778 0.026 -0.880 1.00 0.00 O ATOM 554 ND2 ASN A 34 -15.153 -2.127 -1.395 1.00 0.00 N ATOM 0 H ASN A 34 -11.918 1.467 -2.049 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.842 -1.250 -0.899 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.492 -0.301 -3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.196 -1.987 -2.901 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.956 -2.184 -0.769 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.868 -2.944 -1.935 1.00 0.00 H new ATOM 561 N ILE A 35 -9.786 0.005 -2.577 1.00 0.00 N ATOM 562 CA ILE A 35 -8.604 -0.092 -3.424 1.00 0.00 C ATOM 563 C ILE A 35 -7.571 0.966 -3.049 1.00 0.00 C ATOM 564 O ILE A 35 -7.790 1.767 -2.140 1.00 0.00 O ATOM 565 CB ILE A 35 -8.964 0.064 -4.913 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.915 -0.624 -5.789 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.084 1.536 -5.278 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.491 -1.266 -7.031 1.00 0.00 C ATOM 0 H ILE A 35 -9.746 0.748 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.181 -1.083 -3.263 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.928 -0.414 -5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.163 0.108 -6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.404 -1.386 -5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.339 1.629 -6.334 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.865 1.998 -4.674 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.134 2.036 -5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.690 -1.734 -7.603 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.222 -2.022 -6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.977 -0.505 -7.642 1.00 0.00 H new ATOM 580 N ILE A 36 -6.447 0.964 -3.757 1.00 0.00 N ATOM 581 CA ILE A 36 -5.382 1.926 -3.501 1.00 0.00 C ATOM 582 C ILE A 36 -4.622 2.258 -4.780 1.00 0.00 C ATOM 583 O ILE A 36 -3.820 1.459 -5.264 1.00 0.00 O ATOM 584 CB ILE A 36 -4.388 1.398 -2.449 1.00 0.00 C ATOM 585 CG1 ILE A 36 -5.076 1.261 -1.089 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.183 2.321 -2.348 1.00 0.00 C ATOM 587 CD1 ILE A 36 -4.160 0.752 0.002 1.00 0.00 C ATOM 0 H ILE A 36 -6.250 0.307 -4.512 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.858 2.829 -3.119 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.041 0.413 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.476 2.231 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.924 0.583 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.490 1.934 -1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.682 2.373 -3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.512 3.318 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.714 0.680 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.780 -0.232 -0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.325 1.441 0.127 1.00 0.00 H new ATOM 599 N SER A 37 -4.878 3.444 -5.323 1.00 0.00 N ATOM 600 CA SER A 37 -4.220 3.883 -6.548 1.00 0.00 C ATOM 601 C SER A 37 -3.214 4.993 -6.257 1.00 0.00 C ATOM 602 O SER A 37 -3.170 5.531 -5.150 1.00 0.00 O ATOM 603 CB SER A 37 -5.256 4.370 -7.562 1.00 0.00 C ATOM 604 OG SER A 37 -4.781 4.219 -8.889 1.00 0.00 O ATOM 0 H SER A 37 -5.537 4.118 -4.934 1.00 0.00 H new ATOM 0 HA SER A 37 -3.684 3.032 -6.968 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.182 3.809 -7.438 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.490 5.418 -7.373 1.00 0.00 H new ATOM 0 HG SER A 37 -4.376 3.333 -8.993 1.00 0.00 H new ATOM 610 N TYR A 38 -2.409 5.330 -7.258 1.00 0.00 N ATOM 611 CA TYR A 38 -1.401 6.373 -7.110 1.00 0.00 C ATOM 612 C TYR A 38 -1.143 7.073 -8.441 1.00 0.00 C ATOM 613 O TYR A 38 -0.692 6.453 -9.404 1.00 0.00 O ATOM 614 CB TYR A 38 -0.098 5.781 -6.570 1.00 0.00 C ATOM 615 CG TYR A 38 0.312 4.497 -7.255 1.00 0.00 C ATOM 616 CD1 TYR A 38 -0.490 3.365 -7.189 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.502 4.417 -7.968 1.00 0.00 C ATOM 618 CE1 TYR A 38 -0.118 2.189 -7.812 1.00 0.00 C ATOM 619 CE2 TYR A 38 1.881 3.246 -8.595 1.00 0.00 C ATOM 620 CZ TYR A 38 1.068 2.135 -8.514 1.00 0.00 C ATOM 621 OH TYR A 38 1.441 0.966 -9.137 1.00 0.00 O ATOM 0 H TYR A 38 -2.435 4.896 -8.181 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.778 7.109 -6.400 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.700 6.515 -6.684 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.209 5.594 -5.502 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.420 3.405 -6.642 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.141 5.285 -8.033 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.752 1.317 -7.750 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.809 3.201 -9.146 1.00 0.00 H new ATOM 0 HH TYR A 38 2.301 1.096 -9.588 1.00 0.00 H new ATOM 631 N TYR A 39 -1.431 8.369 -8.486 1.00 0.00 N ATOM 632 CA TYR A 39 -1.231 9.155 -9.698 1.00 0.00 C ATOM 633 C TYR A 39 0.153 9.796 -9.710 1.00 0.00 C ATOM 634 O TYR A 39 0.696 10.149 -8.663 1.00 0.00 O ATOM 635 CB TYR A 39 -2.308 10.235 -9.813 1.00 0.00 C ATOM 636 CG TYR A 39 -3.717 9.687 -9.829 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.266 9.096 -8.698 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.499 9.760 -10.976 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.553 8.593 -8.708 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.787 9.261 -10.994 1.00 0.00 C ATOM 641 CZ TYR A 39 -6.309 8.679 -9.858 1.00 0.00 C ATOM 642 OH TYR A 39 -7.591 8.179 -9.873 1.00 0.00 O ATOM 0 H TYR A 39 -1.804 8.898 -7.697 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.307 8.483 -10.553 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.206 10.928 -8.978 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.140 10.808 -10.725 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.677 9.029 -7.795 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.093 10.214 -11.868 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.964 8.135 -7.820 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.382 9.326 -11.893 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.140 8.704 -10.492 1.00 0.00 H new ATOM 652 N VAL A 40 0.718 9.944 -10.904 1.00 0.00 N ATOM 653 CA VAL A 40 2.039 10.545 -11.055 1.00 0.00 C ATOM 654 C VAL A 40 2.081 11.941 -10.444 1.00 0.00 C ATOM 655 O VAL A 40 3.154 12.488 -10.195 1.00 0.00 O ATOM 656 CB VAL A 40 2.449 10.633 -12.537 1.00 0.00 C ATOM 657 CG1 VAL A 40 1.313 11.202 -13.373 1.00 0.00 C ATOM 658 CG2 VAL A 40 3.708 11.472 -12.692 1.00 0.00 C ATOM 0 H VAL A 40 0.282 9.656 -11.780 1.00 0.00 H new ATOM 0 HA VAL A 40 2.742 9.900 -10.528 1.00 0.00 H new ATOM 0 HB VAL A 40 2.664 9.627 -12.897 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.622 11.257 -14.417 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.439 10.557 -13.286 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.063 12.201 -13.016 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.983 11.524 -13.745 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.523 12.478 -12.315 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.521 11.016 -12.126 1.00 0.00 H new ATOM 668 N SER A 41 0.904 12.511 -10.203 1.00 0.00 N ATOM 669 CA SER A 41 0.806 13.846 -9.623 1.00 0.00 C ATOM 670 C SER A 41 -0.468 13.986 -8.796 1.00 0.00 C ATOM 671 O SER A 41 -1.300 13.080 -8.761 1.00 0.00 O ATOM 672 CB SER A 41 0.832 14.907 -10.725 1.00 0.00 C ATOM 673 OG SER A 41 -0.266 14.751 -11.608 1.00 0.00 O ATOM 0 H SER A 41 0.006 12.070 -10.400 1.00 0.00 H new ATOM 0 HA SER A 41 1.663 13.994 -8.966 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.805 15.901 -10.278 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.765 14.833 -11.283 1.00 0.00 H new ATOM 0 HG SER A 41 -0.228 15.442 -12.302 1.00 0.00 H new ATOM 679 N GLU A 42 -0.612 15.128 -8.131 1.00 0.00 N ATOM 680 CA GLU A 42 -1.784 15.387 -7.303 1.00 0.00 C ATOM 681 C GLU A 42 -2.911 15.998 -8.131 1.00 0.00 C ATOM 682 O GLU A 42 -3.738 16.748 -7.614 1.00 0.00 O ATOM 683 CB GLU A 42 -1.422 16.321 -6.146 1.00 0.00 C ATOM 684 CG GLU A 42 -1.237 17.769 -6.568 1.00 0.00 C ATOM 685 CD GLU A 42 -0.530 18.598 -5.513 1.00 0.00 C ATOM 686 OE1 GLU A 42 -0.726 18.322 -4.311 1.00 0.00 O ATOM 687 OE2 GLU A 42 0.218 19.524 -5.891 1.00 0.00 O ATOM 0 H GLU A 42 0.068 15.888 -8.149 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.129 14.435 -6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.205 16.269 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.503 15.967 -5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.665 17.803 -7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.212 18.210 -6.778 1.00 0.00 H new ATOM 694 N ASP A 43 -2.935 15.671 -9.418 1.00 0.00 N ATOM 695 CA ASP A 43 -3.960 16.187 -10.319 1.00 0.00 C ATOM 696 C ASP A 43 -5.027 15.131 -10.588 1.00 0.00 C ATOM 697 O ASP A 43 -6.096 15.435 -11.119 1.00 0.00 O ATOM 698 CB ASP A 43 -3.330 16.640 -11.637 1.00 0.00 C ATOM 699 CG ASP A 43 -2.452 17.865 -11.468 1.00 0.00 C ATOM 700 OD1 ASP A 43 -2.744 18.686 -10.573 1.00 0.00 O ATOM 701 OD2 ASP A 43 -1.472 18.002 -12.230 1.00 0.00 O ATOM 0 H ASP A 43 -2.257 15.051 -9.861 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.434 17.043 -9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.736 15.825 -12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.119 16.858 -12.357 1.00 0.00 H new ATOM 706 N LEU A 44 -4.731 13.890 -10.219 1.00 0.00 N ATOM 707 CA LEU A 44 -5.665 12.788 -10.421 1.00 0.00 C ATOM 708 C LEU A 44 -6.129 12.726 -11.873 1.00 0.00 C ATOM 709 O LEU A 44 -7.326 12.657 -12.151 1.00 0.00 O ATOM 710 CB LEU A 44 -6.872 12.940 -9.494 1.00 0.00 C ATOM 711 CG LEU A 44 -6.559 13.229 -8.026 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.824 13.620 -7.277 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.902 12.021 -7.373 1.00 0.00 C ATOM 0 H LEU A 44 -3.851 13.621 -9.778 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.148 11.858 -10.184 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.499 13.745 -9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.462 12.025 -9.546 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.862 14.066 -7.981 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.581 13.822 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.253 14.514 -7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.545 12.805 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.686 12.245 -6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.575 11.166 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.973 11.786 -7.893 1.00 0.00 H new ATOM 725 N LYS A 45 -5.172 12.750 -12.795 1.00 0.00 N ATOM 726 CA LYS A 45 -5.481 12.693 -14.219 1.00 0.00 C ATOM 727 C LYS A 45 -4.659 11.610 -14.911 1.00 0.00 C ATOM 728 O LYS A 45 -5.155 10.911 -15.795 1.00 0.00 O ATOM 729 CB LYS A 45 -5.212 14.050 -14.875 1.00 0.00 C ATOM 730 CG LYS A 45 -6.035 15.183 -14.287 1.00 0.00 C ATOM 731 CD LYS A 45 -6.318 16.260 -15.321 1.00 0.00 C ATOM 732 CE LYS A 45 -7.494 15.886 -16.209 1.00 0.00 C ATOM 733 NZ LYS A 45 -7.422 16.555 -17.537 1.00 0.00 N ATOM 0 H LYS A 45 -4.176 12.809 -12.581 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.537 12.447 -14.327 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.154 14.290 -14.773 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.421 13.976 -15.942 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.976 14.789 -13.903 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.503 15.620 -13.441 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.527 17.204 -14.817 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.432 16.417 -15.936 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.515 14.805 -16.348 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.425 16.162 -15.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.242 16.274 -18.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.428 17.587 -17.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.546 16.272 -18.021 1.00 0.00 H new ATOM 747 N ASP A 46 -3.402 11.476 -14.502 1.00 0.00 N ATOM 748 CA ASP A 46 -2.513 10.476 -15.082 1.00 0.00 C ATOM 749 C ASP A 46 -2.287 9.322 -14.110 1.00 0.00 C ATOM 750 O ASP A 46 -1.308 9.307 -13.363 1.00 0.00 O ATOM 751 CB ASP A 46 -1.173 11.111 -15.458 1.00 0.00 C ATOM 752 CG ASP A 46 -1.188 11.709 -16.852 1.00 0.00 C ATOM 753 OD1 ASP A 46 -2.262 12.175 -17.286 1.00 0.00 O ATOM 754 OD2 ASP A 46 -0.125 11.712 -17.507 1.00 0.00 O ATOM 0 H ASP A 46 -2.976 12.047 -13.772 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.986 10.083 -15.982 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.927 11.888 -14.735 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.387 10.358 -15.397 1.00 0.00 H new ATOM 759 N LYS A 47 -3.199 8.356 -14.124 1.00 0.00 N ATOM 760 CA LYS A 47 -3.101 7.197 -13.245 1.00 0.00 C ATOM 761 C LYS A 47 -1.860 6.372 -13.570 1.00 0.00 C ATOM 762 O LYS A 47 -1.484 6.228 -14.733 1.00 0.00 O ATOM 763 CB LYS A 47 -4.354 6.327 -13.373 1.00 0.00 C ATOM 764 CG LYS A 47 -4.443 5.232 -12.324 1.00 0.00 C ATOM 765 CD LYS A 47 -5.887 4.892 -11.995 1.00 0.00 C ATOM 766 CE LYS A 47 -6.552 6.002 -11.196 1.00 0.00 C ATOM 767 NZ LYS A 47 -8.026 6.030 -11.407 1.00 0.00 N ATOM 0 H LYS A 47 -4.015 8.353 -14.735 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.019 7.555 -12.219 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.237 6.962 -13.299 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.371 5.872 -14.363 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.931 4.340 -12.684 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.928 5.552 -11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.442 4.724 -12.918 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.923 3.962 -11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.339 5.864 -10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.125 6.963 -11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.432 6.851 -10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.230 6.102 -12.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.447 5.157 -11.030 1.00 0.00 H new ATOM 781 N LYS A 48 -1.228 5.830 -12.534 1.00 0.00 N ATOM 782 CA LYS A 48 -0.031 5.016 -12.709 1.00 0.00 C ATOM 783 C LYS A 48 -0.368 3.530 -12.635 1.00 0.00 C ATOM 784 O LYS A 48 0.145 2.728 -13.414 1.00 0.00 O ATOM 785 CB LYS A 48 1.009 5.368 -11.643 1.00 0.00 C ATOM 786 CG LYS A 48 1.481 6.810 -11.706 1.00 0.00 C ATOM 787 CD LYS A 48 2.740 6.949 -12.544 1.00 0.00 C ATOM 788 CE LYS A 48 2.415 7.035 -14.028 1.00 0.00 C ATOM 789 NZ LYS A 48 1.406 8.092 -14.315 1.00 0.00 N ATOM 0 H LYS A 48 -1.525 5.940 -11.564 1.00 0.00 H new ATOM 0 HA LYS A 48 0.382 5.228 -13.695 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.586 5.176 -10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.869 4.708 -11.755 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.692 7.434 -12.127 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.672 7.175 -10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.286 7.841 -12.238 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.395 6.097 -12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.327 7.242 -14.588 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.040 6.072 -14.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.568 7.662 -14.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.130 8.558 -13.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.815 8.795 -14.963 1.00 0.00 H new ATOM 803 N GLY A 49 -1.235 3.170 -11.693 1.00 0.00 N ATOM 804 CA GLY A 49 -1.626 1.782 -11.537 1.00 0.00 C ATOM 805 C GLY A 49 -2.798 1.613 -10.590 1.00 0.00 C ATOM 806 O GLY A 49 -3.619 2.518 -10.441 1.00 0.00 O ATOM 0 H GLY A 49 -1.673 3.815 -11.036 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.888 1.370 -12.511 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.777 1.208 -11.166 1.00 0.00 H new ATOM 810 N ASP A 50 -2.878 0.451 -9.952 1.00 0.00 N ATOM 811 CA ASP A 50 -3.959 0.165 -9.015 1.00 0.00 C ATOM 812 C ASP A 50 -3.608 -1.023 -8.126 1.00 0.00 C ATOM 813 O ASP A 50 -3.073 -2.027 -8.598 1.00 0.00 O ATOM 814 CB ASP A 50 -5.258 -0.115 -9.773 1.00 0.00 C ATOM 815 CG ASP A 50 -5.429 0.786 -10.980 1.00 0.00 C ATOM 816 OD1 ASP A 50 -4.702 0.588 -11.976 1.00 0.00 O ATOM 817 OD2 ASP A 50 -6.290 1.690 -10.929 1.00 0.00 O ATOM 0 H ASP A 50 -2.207 -0.309 -10.066 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.099 1.041 -8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.270 -1.156 -10.096 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.105 0.020 -9.100 1.00 0.00 H new ATOM 822 N ILE A 51 -3.911 -0.902 -6.838 1.00 0.00 N ATOM 823 CA ILE A 51 -3.628 -1.966 -5.883 1.00 0.00 C ATOM 824 C ILE A 51 -4.916 -2.550 -5.312 1.00 0.00 C ATOM 825 O ILE A 51 -5.422 -2.084 -4.291 1.00 0.00 O ATOM 826 CB ILE A 51 -2.747 -1.463 -4.724 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.380 -1.019 -5.249 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.589 -2.548 -3.670 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.580 -0.216 -4.247 1.00 0.00 C ATOM 0 H ILE A 51 -4.353 -0.077 -6.432 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.090 -2.743 -6.427 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.234 -0.604 -4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.807 -1.900 -5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.522 -0.422 -6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.964 -2.178 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.569 -2.821 -3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.121 -3.425 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.377 0.065 -4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.133 0.684 -3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.407 -0.817 -3.354 1.00 0.00 H new ATOM 841 N LEU A 52 -5.440 -3.573 -5.977 1.00 0.00 N ATOM 842 CA LEU A 52 -6.669 -4.223 -5.535 1.00 0.00 C ATOM 843 C LEU A 52 -6.577 -4.619 -4.065 1.00 0.00 C ATOM 844 O LEU A 52 -5.903 -5.588 -3.712 1.00 0.00 O ATOM 845 CB LEU A 52 -6.952 -5.459 -6.391 1.00 0.00 C ATOM 846 CG LEU A 52 -6.885 -5.257 -7.905 1.00 0.00 C ATOM 847 CD1 LEU A 52 -6.957 -6.594 -8.626 1.00 0.00 C ATOM 848 CD2 LEU A 52 -8.004 -4.336 -8.370 1.00 0.00 C ATOM 0 H LEU A 52 -5.034 -3.970 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.488 -3.513 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.240 -6.237 -6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.944 -5.832 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.931 -4.788 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.908 -6.430 -9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.120 -7.220 -8.316 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.894 -7.092 -8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.941 -4.203 -9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.968 -4.776 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.906 -3.368 -7.879 1.00 0.00 H new ATOM 860 N LEU A 53 -7.261 -3.866 -3.211 1.00 0.00 N ATOM 861 CA LEU A 53 -7.259 -4.139 -1.778 1.00 0.00 C ATOM 862 C LEU A 53 -8.062 -5.397 -1.462 1.00 0.00 C ATOM 863 O LEU A 53 -9.095 -5.657 -2.079 1.00 0.00 O ATOM 864 CB LEU A 53 -7.834 -2.947 -1.010 1.00 0.00 C ATOM 865 CG LEU A 53 -6.838 -1.854 -0.623 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.550 -0.705 0.074 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.742 -2.423 0.267 1.00 0.00 C ATOM 0 H LEU A 53 -7.824 -3.061 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.227 -4.301 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.621 -2.496 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.305 -3.320 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.377 -1.470 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.825 0.063 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.298 -0.280 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.038 -1.073 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.042 -1.631 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.186 -2.834 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.212 -3.212 -0.267 1.00 0.00 H new ATOM 879 N ASP A 54 -7.581 -6.172 -0.496 1.00 0.00 N ATOM 880 CA ASP A 54 -8.256 -7.402 -0.096 1.00 0.00 C ATOM 881 C ASP A 54 -7.688 -7.930 1.218 1.00 0.00 C ATOM 882 O ASP A 54 -6.531 -7.677 1.550 1.00 0.00 O ATOM 883 CB ASP A 54 -8.119 -8.463 -1.188 1.00 0.00 C ATOM 884 CG ASP A 54 -8.612 -9.824 -0.738 1.00 0.00 C ATOM 885 OD1 ASP A 54 -9.828 -10.082 -0.855 1.00 0.00 O ATOM 886 OD2 ASP A 54 -7.782 -10.631 -0.269 1.00 0.00 O ATOM 0 H ASP A 54 -6.727 -5.971 0.024 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.313 -7.177 0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.681 -8.149 -2.068 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.074 -8.539 -1.487 1.00 0.00 H new ATOM 891 N GLU A 55 -8.511 -8.663 1.960 1.00 0.00 N ATOM 892 CA GLU A 55 -8.091 -9.225 3.239 1.00 0.00 C ATOM 893 C GLU A 55 -6.639 -9.691 3.177 1.00 0.00 C ATOM 894 O GLU A 55 -5.828 -9.345 4.034 1.00 0.00 O ATOM 895 CB GLU A 55 -8.997 -10.394 3.631 1.00 0.00 C ATOM 896 CG GLU A 55 -9.119 -11.457 2.552 1.00 0.00 C ATOM 897 CD GLU A 55 -10.424 -12.226 2.636 1.00 0.00 C ATOM 898 OE1 GLU A 55 -11.473 -11.592 2.872 1.00 0.00 O ATOM 899 OE2 GLU A 55 -10.394 -13.463 2.466 1.00 0.00 O ATOM 0 H GLU A 55 -9.472 -8.882 1.698 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.172 -8.443 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.610 -10.854 4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.990 -10.011 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.042 -10.986 1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.285 -12.154 2.637 1.00 0.00 H new ATOM 906 N ASN A 56 -6.320 -10.480 2.155 1.00 0.00 N ATOM 907 CA ASN A 56 -4.967 -10.995 1.981 1.00 0.00 C ATOM 908 C ASN A 56 -3.940 -9.872 2.080 1.00 0.00 C ATOM 909 O ASN A 56 -2.933 -9.995 2.778 1.00 0.00 O ATOM 910 CB ASN A 56 -4.838 -11.701 0.630 1.00 0.00 C ATOM 911 CG ASN A 56 -4.404 -10.759 -0.476 1.00 0.00 C ATOM 912 OD1 ASN A 56 -3.288 -10.855 -0.987 1.00 0.00 O ATOM 913 ND2 ASN A 56 -5.287 -9.841 -0.851 1.00 0.00 N ATOM 0 H ASN A 56 -6.980 -10.776 1.436 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.773 -11.712 2.779 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.116 -12.514 0.715 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.795 -12.151 0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.052 -9.179 -1.590 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.201 -9.798 -0.400 1.00 0.00 H new ATOM 920 N CYS A 57 -4.202 -8.775 1.377 1.00 0.00 N ATOM 921 CA CYS A 57 -3.301 -7.628 1.385 1.00 0.00 C ATOM 922 C CYS A 57 -3.230 -7.002 2.775 1.00 0.00 C ATOM 923 O CYS A 57 -4.240 -6.893 3.471 1.00 0.00 O ATOM 924 CB CYS A 57 -3.763 -6.584 0.367 1.00 0.00 C ATOM 925 SG CYS A 57 -3.547 -7.092 -1.369 1.00 0.00 S ATOM 0 H CYS A 57 -5.031 -8.656 0.795 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.305 -7.977 1.112 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.816 -6.363 0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.211 -5.659 0.535 1.00 0.00 H new ATOM 930 N CYS A 58 -2.030 -6.594 3.172 1.00 0.00 N ATOM 931 CA CYS A 58 -1.825 -5.979 4.479 1.00 0.00 C ATOM 932 C CYS A 58 -0.578 -5.101 4.479 1.00 0.00 C ATOM 933 O CYS A 58 0.252 -5.184 3.573 1.00 0.00 O ATOM 934 CB CYS A 58 -1.706 -7.055 5.559 1.00 0.00 C ATOM 935 SG CYS A 58 -3.291 -7.733 6.105 1.00 0.00 S ATOM 0 H CYS A 58 -1.184 -6.678 2.608 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.689 -5.350 4.696 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.087 -7.868 5.180 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.187 -6.634 6.420 1.00 0.00 H new ATOM 0 HG CYS A 58 -4.180 -7.565 5.171 1.00 0.00 H new ATOM 941 N VAL A 59 -0.453 -4.259 5.499 1.00 0.00 N ATOM 942 CA VAL A 59 0.693 -3.365 5.616 1.00 0.00 C ATOM 943 C VAL A 59 1.658 -3.846 6.694 1.00 0.00 C ATOM 944 O VAL A 59 1.247 -4.461 7.678 1.00 0.00 O ATOM 945 CB VAL A 59 0.251 -1.926 5.943 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.601 -1.902 7.203 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.462 -1.018 6.092 1.00 0.00 C ATOM 0 H VAL A 59 -1.131 -4.177 6.257 1.00 0.00 H new ATOM 0 HA VAL A 59 1.199 -3.371 4.651 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.355 -1.554 5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.904 -0.877 7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.487 -2.519 7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.023 -2.293 8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.131 -0.005 6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.095 -1.386 6.899 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.028 -1.011 5.161 1.00 0.00 H new ATOM 957 N GLU A 60 2.942 -3.561 6.502 1.00 0.00 N ATOM 958 CA GLU A 60 3.965 -3.965 7.458 1.00 0.00 C ATOM 959 C GLU A 60 4.972 -2.841 7.686 1.00 0.00 C ATOM 960 O GLU A 60 5.567 -2.325 6.740 1.00 0.00 O ATOM 961 CB GLU A 60 4.689 -5.220 6.965 1.00 0.00 C ATOM 962 CG GLU A 60 3.755 -6.376 6.648 1.00 0.00 C ATOM 963 CD GLU A 60 4.431 -7.726 6.784 1.00 0.00 C ATOM 964 OE1 GLU A 60 5.639 -7.817 6.480 1.00 0.00 O ATOM 965 OE2 GLU A 60 3.753 -8.691 7.194 1.00 0.00 O ATOM 0 H GLU A 60 3.298 -3.052 5.693 1.00 0.00 H new ATOM 0 HA GLU A 60 3.473 -4.186 8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.262 -4.971 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.404 -5.539 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.894 -6.336 7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.376 -6.264 5.632 1.00 0.00 H new ATOM 972 N SER A 61 5.156 -2.467 8.948 1.00 0.00 N ATOM 973 CA SER A 61 6.086 -1.401 9.301 1.00 0.00 C ATOM 974 C SER A 61 7.530 -1.881 9.189 1.00 0.00 C ATOM 975 O SER A 61 7.892 -2.928 9.728 1.00 0.00 O ATOM 976 CB SER A 61 5.811 -0.904 10.722 1.00 0.00 C ATOM 977 OG SER A 61 5.778 -1.982 11.642 1.00 0.00 O ATOM 0 H SER A 61 4.673 -2.886 9.743 1.00 0.00 H new ATOM 0 HA SER A 61 5.939 -0.578 8.601 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.582 -0.193 11.018 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.860 -0.371 10.747 1.00 0.00 H new ATOM 0 HG SER A 61 6.368 -2.699 11.328 1.00 0.00 H new ATOM 983 N LEU A 62 8.351 -1.108 8.487 1.00 0.00 N ATOM 984 CA LEU A 62 9.756 -1.453 8.303 1.00 0.00 C ATOM 985 C LEU A 62 10.663 -0.371 8.880 1.00 0.00 C ATOM 986 O LEU A 62 10.379 0.824 8.791 1.00 0.00 O ATOM 987 CB LEU A 62 10.063 -1.652 6.817 1.00 0.00 C ATOM 988 CG LEU A 62 9.166 -2.642 6.074 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.533 -2.691 4.599 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.267 -4.026 6.697 1.00 0.00 C ATOM 0 H LEU A 62 8.068 -0.238 8.036 1.00 0.00 H new ATOM 0 HA LEU A 62 9.948 -2.384 8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.993 -0.685 6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.096 -1.986 6.721 1.00 0.00 H new ATOM 0 HG LEU A 62 8.134 -2.302 6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.884 -3.401 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.407 -1.701 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.571 -3.006 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.622 -4.717 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.298 -4.375 6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.954 -3.979 7.740 1.00 0.00 H new ATOM 1002 N PRO A 63 11.782 -0.796 9.485 1.00 0.00 N ATOM 1003 CA PRO A 63 12.754 0.121 10.087 1.00 0.00 C ATOM 1004 C PRO A 63 13.511 0.931 9.040 1.00 0.00 C ATOM 1005 O PRO A 63 13.098 1.009 7.883 1.00 0.00 O ATOM 1006 CB PRO A 63 13.709 -0.814 10.833 1.00 0.00 C ATOM 1007 CG PRO A 63 13.604 -2.115 10.115 1.00 0.00 C ATOM 1008 CD PRO A 63 12.184 -2.206 9.629 1.00 0.00 C ATOM 0 HA PRO A 63 12.274 0.861 10.727 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.730 -0.433 10.815 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.425 -0.916 11.880 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.305 -2.159 9.282 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.844 -2.947 10.777 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.117 -2.742 8.682 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.549 -2.734 10.340 1.00 0.00 H new ATOM 1016 N ASP A 64 14.622 1.532 9.453 1.00 0.00 N ATOM 1017 CA ASP A 64 15.438 2.335 8.550 1.00 0.00 C ATOM 1018 C ASP A 64 16.472 1.470 7.838 1.00 0.00 C ATOM 1019 O ASP A 64 17.349 0.882 8.472 1.00 0.00 O ATOM 1020 CB ASP A 64 16.136 3.456 9.321 1.00 0.00 C ATOM 1021 CG ASP A 64 16.829 2.954 10.573 1.00 0.00 C ATOM 1022 OD1 ASP A 64 17.874 2.283 10.443 1.00 0.00 O ATOM 1023 OD2 ASP A 64 16.326 3.232 11.682 1.00 0.00 O ATOM 0 H ASP A 64 14.978 1.478 10.407 1.00 0.00 H new ATOM 0 HA ASP A 64 14.781 2.775 7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.868 3.938 8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.404 4.216 9.594 1.00 0.00 H new ATOM 1028 N LYS A 65 16.364 1.394 6.516 1.00 0.00 N ATOM 1029 CA LYS A 65 17.289 0.601 5.715 1.00 0.00 C ATOM 1030 C LYS A 65 18.002 1.471 4.685 1.00 0.00 C ATOM 1031 O LYS A 65 19.122 1.170 4.273 1.00 0.00 O ATOM 1032 CB LYS A 65 16.543 -0.534 5.011 1.00 0.00 C ATOM 1033 CG LYS A 65 15.548 -0.053 3.968 1.00 0.00 C ATOM 1034 CD LYS A 65 14.165 0.144 4.566 1.00 0.00 C ATOM 1035 CE LYS A 65 13.324 -1.118 4.454 1.00 0.00 C ATOM 1036 NZ LYS A 65 12.906 -1.383 3.049 1.00 0.00 N ATOM 0 H LYS A 65 15.644 1.873 5.976 1.00 0.00 H new ATOM 0 HA LYS A 65 18.037 0.176 6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.268 -1.192 4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.016 -1.129 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.896 0.886 3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.494 -0.776 3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.258 0.429 5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.661 0.965 4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.893 -1.968 4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.440 -1.022 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.085 -2.022 3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.649 -0.487 2.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.691 -1.826 2.531 1.00 0.00 H new ATOM 1050 N ASP A 66 17.346 2.551 4.275 1.00 0.00 N ATOM 1051 CA ASP A 66 17.918 3.467 3.295 1.00 0.00 C ATOM 1052 C ASP A 66 17.864 4.906 3.799 1.00 0.00 C ATOM 1053 O ASP A 66 17.022 5.693 3.370 1.00 0.00 O ATOM 1054 CB ASP A 66 17.175 3.351 1.963 1.00 0.00 C ATOM 1055 CG ASP A 66 18.045 3.729 0.780 1.00 0.00 C ATOM 1056 OD1 ASP A 66 19.040 4.455 0.984 1.00 0.00 O ATOM 1057 OD2 ASP A 66 17.729 3.300 -0.350 1.00 0.00 O ATOM 0 H ASP A 66 16.418 2.814 4.606 1.00 0.00 H new ATOM 0 HA ASP A 66 18.962 3.193 3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.819 2.328 1.837 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.295 3.994 1.984 1.00 0.00 H new ATOM 1062 N GLY A 67 18.769 5.242 4.714 1.00 0.00 N ATOM 1063 CA GLY A 67 18.806 6.585 5.262 1.00 0.00 C ATOM 1064 C GLY A 67 17.423 7.189 5.410 1.00 0.00 C ATOM 1065 O GLY A 67 17.253 8.404 5.301 1.00 0.00 O ATOM 0 H GLY A 67 19.477 4.608 5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.296 6.564 6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.410 7.222 4.615 1.00 0.00 H new ATOM 1069 N LYS A 68 16.432 6.340 5.657 1.00 0.00 N ATOM 1070 CA LYS A 68 15.056 6.796 5.820 1.00 0.00 C ATOM 1071 C LYS A 68 14.554 6.515 7.232 1.00 0.00 C ATOM 1072 O LYS A 68 15.203 5.811 8.005 1.00 0.00 O ATOM 1073 CB LYS A 68 14.146 6.111 4.798 1.00 0.00 C ATOM 1074 CG LYS A 68 14.208 6.735 3.414 1.00 0.00 C ATOM 1075 CD LYS A 68 13.212 7.873 3.270 1.00 0.00 C ATOM 1076 CE LYS A 68 13.366 8.583 1.934 1.00 0.00 C ATOM 1077 NZ LYS A 68 14.639 9.351 1.857 1.00 0.00 N ATOM 0 H LYS A 68 16.555 5.332 5.749 1.00 0.00 H new ATOM 0 HA LYS A 68 15.034 7.873 5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.422 5.059 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.118 6.147 5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.215 7.106 3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.003 5.974 2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.198 7.484 3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.354 8.587 4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.335 7.850 1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.524 9.259 1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.617 9.978 1.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.753 9.922 2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.438 8.691 1.771 1.00 0.00 H new ATOM 1091 N LYS A 69 13.392 7.070 7.563 1.00 0.00 N ATOM 1092 CA LYS A 69 12.800 6.877 8.881 1.00 0.00 C ATOM 1093 C LYS A 69 11.299 6.632 8.773 1.00 0.00 C ATOM 1094 O LYS A 69 10.622 7.226 7.932 1.00 0.00 O ATOM 1095 CB LYS A 69 13.066 8.098 9.766 1.00 0.00 C ATOM 1096 CG LYS A 69 14.541 8.422 9.928 1.00 0.00 C ATOM 1097 CD LYS A 69 15.034 9.342 8.824 1.00 0.00 C ATOM 1098 CE LYS A 69 16.511 9.122 8.532 1.00 0.00 C ATOM 1099 NZ LYS A 69 17.024 10.079 7.514 1.00 0.00 N ATOM 0 H LYS A 69 12.842 7.657 6.936 1.00 0.00 H new ATOM 0 HA LYS A 69 13.262 6.000 9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.557 8.963 9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.630 7.925 10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.707 8.893 10.897 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.120 7.499 9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.453 9.168 7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.870 10.380 9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.083 9.231 9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.664 8.102 8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.163 9.583 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.337 10.849 7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.931 10.474 7.835 1.00 0.00 H new ATOM 1113 N CYS A 70 10.783 5.757 9.629 1.00 0.00 N ATOM 1114 CA CYS A 70 9.361 5.434 9.629 1.00 0.00 C ATOM 1115 C CYS A 70 8.943 4.816 8.299 1.00 0.00 C ATOM 1116 O CYS A 70 7.967 5.245 7.682 1.00 0.00 O ATOM 1117 CB CYS A 70 8.532 6.689 9.905 1.00 0.00 C ATOM 1118 SG CYS A 70 8.521 7.200 11.639 1.00 0.00 S ATOM 0 H CYS A 70 11.328 5.258 10.332 1.00 0.00 H new ATOM 0 HA CYS A 70 9.179 4.706 10.420 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.919 7.508 9.299 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.506 6.512 9.583 1.00 0.00 H new ATOM 0 HG CYS A 70 8.178 8.451 11.720 1.00 0.00 H new ATOM 1124 N LEU A 71 9.689 3.808 7.861 1.00 0.00 N ATOM 1125 CA LEU A 71 9.398 3.131 6.602 1.00 0.00 C ATOM 1126 C LEU A 71 8.315 2.073 6.790 1.00 0.00 C ATOM 1127 O LEU A 71 8.183 1.490 7.867 1.00 0.00 O ATOM 1128 CB LEU A 71 10.666 2.485 6.042 1.00 0.00 C ATOM 1129 CG LEU A 71 11.619 3.416 5.293 1.00 0.00 C ATOM 1130 CD1 LEU A 71 13.057 2.945 5.446 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.237 3.500 3.822 1.00 0.00 C ATOM 0 H LEU A 71 10.500 3.441 8.359 1.00 0.00 H new ATOM 0 HA LEU A 71 9.034 3.875 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.211 2.027 6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.372 1.680 5.368 1.00 0.00 H new ATOM 0 HG LEU A 71 11.537 4.413 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.720 3.620 4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.327 2.938 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.155 1.938 5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.926 4.167 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.289 2.507 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.222 3.886 3.731 1.00 0.00 H new ATOM 1143 N PHE A 72 7.544 1.829 5.736 1.00 0.00 N ATOM 1144 CA PHE A 72 6.473 0.840 5.785 1.00 0.00 C ATOM 1145 C PHE A 72 6.228 0.236 4.405 1.00 0.00 C ATOM 1146 O PHE A 72 6.171 0.950 3.403 1.00 0.00 O ATOM 1147 CB PHE A 72 5.185 1.477 6.311 1.00 0.00 C ATOM 1148 CG PHE A 72 4.586 2.483 5.369 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.689 2.086 4.390 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.919 3.824 5.464 1.00 0.00 C ATOM 1151 CE1 PHE A 72 3.135 3.008 3.523 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.368 4.751 4.599 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.476 4.343 3.627 1.00 0.00 C ATOM 0 H PHE A 72 7.640 2.302 4.838 1.00 0.00 H new ATOM 0 HA PHE A 72 6.779 0.043 6.463 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.454 0.692 6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.392 1.962 7.265 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.420 1.044 4.304 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.616 4.149 6.222 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.436 2.686 2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.635 5.794 4.683 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.046 5.066 2.950 1.00 0.00 H new ATOM 1163 N LEU A 73 6.084 -1.084 4.362 1.00 0.00 N ATOM 1164 CA LEU A 73 5.845 -1.787 3.106 1.00 0.00 C ATOM 1165 C LEU A 73 4.547 -2.586 3.167 1.00 0.00 C ATOM 1166 O LEU A 73 4.206 -3.158 4.202 1.00 0.00 O ATOM 1167 CB LEU A 73 7.017 -2.718 2.789 1.00 0.00 C ATOM 1168 CG LEU A 73 6.803 -3.696 1.633 1.00 0.00 C ATOM 1169 CD1 LEU A 73 8.125 -4.015 0.953 1.00 0.00 C ATOM 1170 CD2 LEU A 73 6.135 -4.970 2.129 1.00 0.00 C ATOM 0 H LEU A 73 6.129 -1.689 5.182 1.00 0.00 H new ATOM 0 HA LEU A 73 5.755 -1.044 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.891 -2.106 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.252 -3.292 3.685 1.00 0.00 H new ATOM 0 HG LEU A 73 6.146 -3.226 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.953 -4.712 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.564 -3.097 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.806 -4.465 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.991 -5.654 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.767 -5.443 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.168 -4.726 2.569 1.00 0.00 H new ATOM 1182 N VAL A 74 3.828 -2.622 2.050 1.00 0.00 N ATOM 1183 CA VAL A 74 2.569 -3.353 1.975 1.00 0.00 C ATOM 1184 C VAL A 74 2.736 -4.657 1.201 1.00 0.00 C ATOM 1185 O VAL A 74 3.364 -4.688 0.143 1.00 0.00 O ATOM 1186 CB VAL A 74 1.468 -2.509 1.305 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.196 -3.327 1.137 1.00 0.00 C ATOM 1188 CG2 VAL A 74 1.199 -1.248 2.112 1.00 0.00 C ATOM 0 H VAL A 74 4.096 -2.153 1.185 1.00 0.00 H new ATOM 0 HA VAL A 74 2.272 -3.577 3.000 1.00 0.00 H new ATOM 0 HB VAL A 74 1.813 -2.212 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.570 -2.714 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.403 -4.197 0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.157 -3.656 2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.419 -0.664 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.874 -1.521 3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.111 -0.655 2.175 1.00 0.00 H new ATOM 1198 N LYS A 75 2.169 -5.733 1.737 1.00 0.00 N ATOM 1199 CA LYS A 75 2.252 -7.040 1.097 1.00 0.00 C ATOM 1200 C LYS A 75 0.890 -7.472 0.562 1.00 0.00 C ATOM 1201 O LYS A 75 -0.113 -7.418 1.273 1.00 0.00 O ATOM 1202 CB LYS A 75 2.776 -8.083 2.087 1.00 0.00 C ATOM 1203 CG LYS A 75 4.225 -7.865 2.489 1.00 0.00 C ATOM 1204 CD LYS A 75 4.522 -8.468 3.852 1.00 0.00 C ATOM 1205 CE LYS A 75 4.793 -9.961 3.753 1.00 0.00 C ATOM 1206 NZ LYS A 75 3.536 -10.744 3.594 1.00 0.00 N ATOM 0 H LYS A 75 1.647 -5.725 2.613 1.00 0.00 H new ATOM 0 HA LYS A 75 2.944 -6.963 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.153 -8.068 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.675 -9.074 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.882 -8.311 1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.442 -6.797 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.385 -7.969 4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.678 -8.294 4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.451 -10.155 2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.318 -10.295 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.633 -11.658 4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.742 -10.214 4.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.354 -10.907 2.583 1.00 0.00 H new ATOM 1220 N CYS A 76 0.863 -7.902 -0.695 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.374 -8.344 -1.326 1.00 0.00 C ATOM 1222 C CYS A 76 -0.230 -9.761 -1.873 1.00 0.00 C ATOM 1223 O CYS A 76 0.847 -10.355 -1.812 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.766 -7.388 -2.455 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.835 -6.011 -1.925 1.00 0.00 S ATOM 0 H CYS A 76 1.685 -7.954 -1.297 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.158 -8.343 -0.569 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.140 -6.979 -2.902 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.278 -7.953 -3.234 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.322 -10.298 -2.407 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.318 -11.646 -2.964 1.00 0.00 C ATOM 1232 C PHE A 77 0.049 -11.989 -3.547 1.00 0.00 C ATOM 1233 O PHE A 77 0.796 -12.785 -2.979 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.394 -11.777 -4.044 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.743 -12.156 -3.503 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -3.915 -13.336 -2.797 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.840 -11.333 -3.702 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -5.155 -13.687 -2.298 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -6.082 -11.679 -3.205 1.00 0.00 C ATOM 1240 CZ PHE A 77 -6.240 -12.858 -2.503 1.00 0.00 C ATOM 0 H PHE A 77 -2.221 -9.820 -2.466 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.535 -12.347 -2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.478 -10.831 -4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.079 -12.526 -4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.070 -13.989 -2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.723 -10.411 -4.252 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.275 -14.609 -1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.929 -11.028 -3.365 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.210 -13.131 -2.115 1.00 0.00 H new ATOM 1250 N ASP A 78 0.369 -11.382 -4.685 1.00 0.00 N ATOM 1251 CA ASP A 78 1.646 -11.622 -5.347 1.00 0.00 C ATOM 1252 C ASP A 78 2.404 -10.315 -5.556 1.00 0.00 C ATOM 1253 O ASP A 78 3.634 -10.297 -5.596 1.00 0.00 O ATOM 1254 CB ASP A 78 1.426 -12.319 -6.690 1.00 0.00 C ATOM 1255 CG ASP A 78 2.679 -12.343 -7.542 1.00 0.00 C ATOM 1256 OD1 ASP A 78 3.788 -12.324 -6.968 1.00 0.00 O ATOM 1257 OD2 ASP A 78 2.552 -12.382 -8.784 1.00 0.00 O ATOM 0 H ASP A 78 -0.238 -10.720 -5.168 1.00 0.00 H new ATOM 0 HA ASP A 78 2.244 -12.269 -4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.090 -13.341 -6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.630 -11.810 -7.234 1.00 0.00 H new ATOM 1262 N LYS A 79 1.661 -9.222 -5.691 1.00 0.00 N ATOM 1263 CA LYS A 79 2.261 -7.909 -5.896 1.00 0.00 C ATOM 1264 C LYS A 79 2.707 -7.301 -4.570 1.00 0.00 C ATOM 1265 O LYS A 79 2.133 -7.588 -3.519 1.00 0.00 O ATOM 1266 CB LYS A 79 1.268 -6.974 -6.589 1.00 0.00 C ATOM 1267 CG LYS A 79 1.340 -7.027 -8.106 1.00 0.00 C ATOM 1268 CD LYS A 79 -0.010 -6.731 -8.739 1.00 0.00 C ATOM 1269 CE LYS A 79 -0.973 -7.895 -8.566 1.00 0.00 C ATOM 1270 NZ LYS A 79 -0.875 -8.867 -9.690 1.00 0.00 N ATOM 0 H LYS A 79 0.641 -9.219 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 79 3.138 -8.034 -6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.257 -7.232 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.454 -5.952 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.076 -6.306 -8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.682 -8.013 -8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.436 -5.835 -8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.123 -6.522 -9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.762 -8.404 -7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.993 -7.516 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.547 -9.646 -9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.101 -8.387 -10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.092 -9.248 -9.736 1.00 0.00 H new ATOM 1284 N THR A 80 3.734 -6.458 -4.626 1.00 0.00 N ATOM 1285 CA THR A 80 4.256 -5.809 -3.430 1.00 0.00 C ATOM 1286 C THR A 80 4.493 -4.323 -3.670 1.00 0.00 C ATOM 1287 O THR A 80 4.840 -3.910 -4.776 1.00 0.00 O ATOM 1288 CB THR A 80 5.574 -6.460 -2.968 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.477 -6.575 -4.073 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.318 -7.835 -2.370 1.00 0.00 C ATOM 0 H THR A 80 4.220 -6.209 -5.487 1.00 0.00 H new ATOM 0 HA THR A 80 3.505 -5.933 -2.650 1.00 0.00 H new ATOM 0 HB THR A 80 6.018 -5.825 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.313 -6.988 -3.771 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.263 -8.275 -2.051 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.654 -7.740 -1.511 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.854 -8.477 -3.119 1.00 0.00 H new ATOM 1298 N PHE A 81 4.305 -3.522 -2.626 1.00 0.00 N ATOM 1299 CA PHE A 81 4.498 -2.080 -2.723 1.00 0.00 C ATOM 1300 C PHE A 81 5.230 -1.545 -1.496 1.00 0.00 C ATOM 1301 O PHE A 81 4.856 -1.839 -0.361 1.00 0.00 O ATOM 1302 CB PHE A 81 3.150 -1.373 -2.876 1.00 0.00 C ATOM 1303 CG PHE A 81 2.482 -1.634 -4.195 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.896 -2.862 -4.459 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.440 -0.652 -5.172 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.280 -3.105 -5.672 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.825 -0.890 -6.387 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.246 -2.118 -6.638 1.00 0.00 C ATOM 0 H PHE A 81 4.019 -3.848 -1.703 1.00 0.00 H new ATOM 0 HA PHE A 81 5.108 -1.879 -3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.487 -1.694 -2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.297 -0.299 -2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.921 -3.638 -3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.893 0.310 -4.982 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.826 -4.066 -5.865 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.797 -0.116 -7.139 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.767 -2.307 -7.588 1.00 0.00 H new ATOM 1318 N GLU A 82 6.276 -0.759 -1.734 1.00 0.00 N ATOM 1319 CA GLU A 82 7.061 -0.185 -0.647 1.00 0.00 C ATOM 1320 C GLU A 82 6.990 1.339 -0.672 1.00 0.00 C ATOM 1321 O GLU A 82 7.289 1.969 -1.687 1.00 0.00 O ATOM 1322 CB GLU A 82 8.518 -0.640 -0.746 1.00 0.00 C ATOM 1323 CG GLU A 82 9.328 -0.365 0.510 1.00 0.00 C ATOM 1324 CD GLU A 82 8.853 0.869 1.252 1.00 0.00 C ATOM 1325 OE1 GLU A 82 9.012 1.984 0.712 1.00 0.00 O ATOM 1326 OE2 GLU A 82 8.322 0.719 2.372 1.00 0.00 O ATOM 0 H GLU A 82 6.599 -0.506 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 82 6.641 -0.536 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.542 -1.709 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.990 -0.137 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.268 -1.228 1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.377 -0.241 0.241 1.00 0.00 H new ATOM 1333 N ILE A 83 6.592 1.925 0.452 1.00 0.00 N ATOM 1334 CA ILE A 83 6.482 3.375 0.560 1.00 0.00 C ATOM 1335 C ILE A 83 7.218 3.892 1.792 1.00 0.00 C ATOM 1336 O ILE A 83 7.421 3.158 2.759 1.00 0.00 O ATOM 1337 CB ILE A 83 5.011 3.824 0.628 1.00 0.00 C ATOM 1338 CG1 ILE A 83 4.192 3.132 -0.463 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.912 5.336 0.494 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.743 2.917 -0.087 1.00 0.00 C ATOM 0 H ILE A 83 6.340 1.418 1.301 1.00 0.00 H new ATOM 0 HA ILE A 83 6.940 3.794 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 83 4.604 3.537 1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.238 3.729 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.647 2.168 -0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.866 5.638 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.466 5.810 1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.333 5.645 -0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.224 2.422 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.687 2.294 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.272 3.880 0.112 1.00 0.00 H new ATOM 1352 N SER A 84 7.613 5.160 1.749 1.00 0.00 N ATOM 1353 CA SER A 84 8.328 5.775 2.861 1.00 0.00 C ATOM 1354 C SER A 84 7.506 6.903 3.479 1.00 0.00 C ATOM 1355 O SER A 84 6.656 7.500 2.818 1.00 0.00 O ATOM 1356 CB SER A 84 9.680 6.314 2.390 1.00 0.00 C ATOM 1357 OG SER A 84 9.595 7.691 2.066 1.00 0.00 O ATOM 0 H SER A 84 7.450 5.781 0.957 1.00 0.00 H new ATOM 0 HA SER A 84 8.494 5.011 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.426 6.166 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.015 5.752 1.518 1.00 0.00 H new ATOM 0 HG SER A 84 10.445 7.989 1.679 1.00 0.00 H new ATOM 1363 N ALA A 85 7.765 7.187 4.751 1.00 0.00 N ATOM 1364 CA ALA A 85 7.051 8.244 5.458 1.00 0.00 C ATOM 1365 C ALA A 85 8.012 9.317 5.956 1.00 0.00 C ATOM 1366 O ALA A 85 9.184 9.043 6.216 1.00 0.00 O ATOM 1367 CB ALA A 85 6.260 7.660 6.619 1.00 0.00 C ATOM 0 H ALA A 85 8.463 6.700 5.313 1.00 0.00 H new ATOM 0 HA ALA A 85 6.358 8.711 4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.732 8.460 7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.539 6.935 6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.941 7.166 7.312 1.00 0.00 H new ATOM 1373 N SER A 86 7.510 10.541 6.086 1.00 0.00 N ATOM 1374 CA SER A 86 8.326 11.657 6.549 1.00 0.00 C ATOM 1375 C SER A 86 8.421 11.666 8.071 1.00 0.00 C ATOM 1376 O SER A 86 9.515 11.673 8.636 1.00 0.00 O ATOM 1377 CB SER A 86 7.742 12.983 6.055 1.00 0.00 C ATOM 1378 OG SER A 86 8.589 14.069 6.388 1.00 0.00 O ATOM 0 H SER A 86 6.542 10.785 5.877 1.00 0.00 H new ATOM 0 HA SER A 86 9.329 11.535 6.141 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.604 12.943 4.974 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.757 13.137 6.496 1.00 0.00 H new ATOM 0 HG SER A 86 8.195 14.904 6.060 1.00 0.00 H new ATOM 1384 N ASP A 87 7.267 11.666 8.730 1.00 0.00 N ATOM 1385 CA ASP A 87 7.218 11.673 10.187 1.00 0.00 C ATOM 1386 C ASP A 87 6.407 10.491 10.709 1.00 0.00 C ATOM 1387 O ASP A 87 5.820 9.735 9.934 1.00 0.00 O ATOM 1388 CB ASP A 87 6.615 12.984 10.692 1.00 0.00 C ATOM 1389 CG ASP A 87 5.480 13.476 9.815 1.00 0.00 C ATOM 1390 OD1 ASP A 87 4.863 12.641 9.121 1.00 0.00 O ATOM 1391 OD2 ASP A 87 5.211 14.695 9.821 1.00 0.00 O ATOM 0 H ASP A 87 6.353 11.661 8.278 1.00 0.00 H new ATOM 0 HA ASP A 87 8.238 11.584 10.561 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.250 12.844 11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.393 13.746 10.735 1.00 0.00 H new ATOM 1396 N LYS A 88 6.379 10.336 12.028 1.00 0.00 N ATOM 1397 CA LYS A 88 5.640 9.247 12.656 1.00 0.00 C ATOM 1398 C LYS A 88 4.149 9.352 12.348 1.00 0.00 C ATOM 1399 O LYS A 88 3.450 8.342 12.262 1.00 0.00 O ATOM 1400 CB LYS A 88 5.860 9.259 14.170 1.00 0.00 C ATOM 1401 CG LYS A 88 7.208 8.699 14.593 1.00 0.00 C ATOM 1402 CD LYS A 88 7.223 8.339 16.069 1.00 0.00 C ATOM 1403 CE LYS A 88 7.339 9.578 16.944 1.00 0.00 C ATOM 1404 NZ LYS A 88 6.798 9.343 18.312 1.00 0.00 N ATOM 0 H LYS A 88 6.860 10.952 12.684 1.00 0.00 H new ATOM 0 HA LYS A 88 6.013 8.307 12.248 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.771 10.283 14.534 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.069 8.681 14.648 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.438 7.814 13.999 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.988 9.432 14.388 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.311 7.798 16.322 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.058 7.669 16.273 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.385 9.877 17.013 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.802 10.404 16.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.895 10.210 18.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.793 9.082 18.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.327 8.572 18.767 1.00 0.00 H new ATOM 1418 N LYS A 89 3.670 10.579 12.181 1.00 0.00 N ATOM 1419 CA LYS A 89 2.263 10.817 11.879 1.00 0.00 C ATOM 1420 C LYS A 89 1.873 10.168 10.555 1.00 0.00 C ATOM 1421 O LYS A 89 1.054 9.250 10.519 1.00 0.00 O ATOM 1422 CB LYS A 89 1.979 12.320 11.826 1.00 0.00 C ATOM 1423 CG LYS A 89 0.683 12.669 11.115 1.00 0.00 C ATOM 1424 CD LYS A 89 0.689 14.105 10.618 1.00 0.00 C ATOM 1425 CE LYS A 89 0.050 15.046 11.628 1.00 0.00 C ATOM 1426 NZ LYS A 89 -1.430 14.883 11.679 1.00 0.00 N ATOM 0 H LYS A 89 4.235 11.425 12.250 1.00 0.00 H new ATOM 0 HA LYS A 89 1.666 10.368 12.673 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.942 12.710 12.843 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.806 12.820 11.322 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.535 11.992 10.273 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.157 12.522 11.794 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.714 14.420 10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.152 14.166 9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.470 14.858 12.616 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.293 16.076 11.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.853 15.702 12.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.806 14.817 10.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.666 14.015 12.202 1.00 0.00 H new ATOM 1440 N LYS A 90 2.466 10.651 9.468 1.00 0.00 N ATOM 1441 CA LYS A 90 2.183 10.117 8.141 1.00 0.00 C ATOM 1442 C LYS A 90 2.233 8.592 8.146 1.00 0.00 C ATOM 1443 O LYS A 90 1.244 7.927 7.839 1.00 0.00 O ATOM 1444 CB LYS A 90 3.185 10.667 7.123 1.00 0.00 C ATOM 1445 CG LYS A 90 2.859 12.071 6.646 1.00 0.00 C ATOM 1446 CD LYS A 90 3.572 12.398 5.345 1.00 0.00 C ATOM 1447 CE LYS A 90 3.405 13.862 4.970 1.00 0.00 C ATOM 1448 NZ LYS A 90 3.836 14.130 3.570 1.00 0.00 N ATOM 0 H LYS A 90 3.146 11.411 9.480 1.00 0.00 H new ATOM 0 HA LYS A 90 1.178 10.429 7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.180 10.665 7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.220 9.999 6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.782 12.168 6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.147 12.792 7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.632 12.165 5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.179 11.770 4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.361 14.150 5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.987 14.480 5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.706 15.139 3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.839 13.879 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.264 13.559 2.915 1.00 0.00 H new ATOM 1462 N LYS A 91 3.391 8.044 8.499 1.00 0.00 N ATOM 1463 CA LYS A 91 3.570 6.597 8.548 1.00 0.00 C ATOM 1464 C LYS A 91 2.371 5.923 9.207 1.00 0.00 C ATOM 1465 O LYS A 91 1.637 5.174 8.562 1.00 0.00 O ATOM 1466 CB LYS A 91 4.849 6.246 9.310 1.00 0.00 C ATOM 1467 CG LYS A 91 5.094 4.752 9.432 1.00 0.00 C ATOM 1468 CD LYS A 91 4.208 4.127 10.496 1.00 0.00 C ATOM 1469 CE LYS A 91 4.844 2.880 11.089 1.00 0.00 C ATOM 1470 NZ LYS A 91 6.080 3.199 11.856 1.00 0.00 N ATOM 0 H LYS A 91 4.220 8.580 8.756 1.00 0.00 H new ATOM 0 HA LYS A 91 3.653 6.231 7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.700 6.705 8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.798 6.680 10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.905 4.272 8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.141 4.573 9.678 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.021 4.853 11.287 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.241 3.872 10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.128 2.384 11.744 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.084 2.179 10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.256 2.451 12.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.888 3.259 11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.961 4.110 12.344 1.00 0.00 H new ATOM 1484 N GLN A 92 2.179 6.194 10.494 1.00 0.00 N ATOM 1485 CA GLN A 92 1.068 5.614 11.239 1.00 0.00 C ATOM 1486 C GLN A 92 -0.262 5.919 10.560 1.00 0.00 C ATOM 1487 O GLN A 92 -0.948 5.016 10.083 1.00 0.00 O ATOM 1488 CB GLN A 92 1.056 6.144 12.674 1.00 0.00 C ATOM 1489 CG GLN A 92 -0.189 5.758 13.455 1.00 0.00 C ATOM 1490 CD GLN A 92 -0.404 6.626 14.679 1.00 0.00 C ATOM 1491 OE1 GLN A 92 0.151 7.720 14.783 1.00 0.00 O ATOM 1492 NE2 GLN A 92 -1.213 6.142 15.614 1.00 0.00 N ATOM 0 H GLN A 92 2.778 6.811 11.042 1.00 0.00 H new ATOM 0 HA GLN A 92 1.204 4.533 11.260 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.935 5.768 13.198 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.138 7.231 12.652 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.060 5.834 12.804 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.111 4.715 13.763 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.652 5.230 15.486 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.395 6.682 16.460 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.621 7.199 10.520 1.00 0.00 N ATOM 1502 CA GLU A 93 -1.871 7.623 9.900 1.00 0.00 C ATOM 1503 C GLU A 93 -2.166 6.796 8.651 1.00 0.00 C ATOM 1504 O GLU A 93 -3.295 6.352 8.441 1.00 0.00 O ATOM 1505 CB GLU A 93 -1.809 9.108 9.538 1.00 0.00 C ATOM 1506 CG GLU A 93 -1.918 10.032 10.740 1.00 0.00 C ATOM 1507 CD GLU A 93 -2.336 11.438 10.358 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -1.875 11.931 9.308 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -3.126 12.047 11.110 1.00 0.00 O ATOM 0 H GLU A 93 -0.064 7.960 10.909 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.675 7.465 10.619 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.871 9.308 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.614 9.337 8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.640 9.621 11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.957 10.069 11.253 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.144 6.595 7.827 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.294 5.823 6.599 1.00 0.00 C ATOM 1518 C TRP A 94 -1.580 4.358 6.909 1.00 0.00 C ATOM 1519 O TRP A 94 -2.609 3.818 6.502 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.032 5.938 5.743 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.079 7.074 4.766 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.521 8.294 4.898 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.764 7.095 3.509 1.00 0.00 C ATOM 1524 NE1 TRP A 94 0.250 9.072 3.798 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.535 8.360 2.931 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.546 6.169 2.814 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.063 8.719 1.694 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.069 6.527 1.586 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.825 7.792 1.036 1.00 0.00 C ATOM 0 H TRP A 94 -0.203 6.956 7.987 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.140 6.230 6.044 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.831 6.065 6.396 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.115 5.005 5.198 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.120 8.602 5.742 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.580 10.026 3.651 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.738 5.191 3.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -0.878 9.694 1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.676 5.819 1.041 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.247 8.041 0.073 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.665 3.720 7.630 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.821 2.317 7.995 1.00 0.00 C ATOM 1542 C ILE A 95 -2.177 2.067 8.647 1.00 0.00 C ATOM 1543 O ILE A 95 -2.954 1.233 8.183 1.00 0.00 O ATOM 1544 CB ILE A 95 0.291 1.858 8.957 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.660 1.987 8.286 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.046 0.425 9.404 1.00 0.00 C ATOM 1547 CD1 ILE A 95 2.729 1.130 8.927 1.00 0.00 C ATOM 0 H ILE A 95 0.193 4.152 7.973 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.752 1.741 7.072 1.00 0.00 H new ATOM 0 HB ILE A 95 0.278 2.499 9.838 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.568 1.713 7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.974 3.030 8.317 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.840 0.115 10.083 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.914 0.363 9.916 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.036 -0.231 8.534 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.673 1.271 8.401 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.849 1.419 9.971 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.436 0.081 8.872 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.454 2.796 9.723 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.717 2.653 10.438 1.00 0.00 C ATOM 1561 C GLN A 96 -4.898 2.722 9.475 1.00 0.00 C ATOM 1562 O GLN A 96 -5.855 1.959 9.596 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.849 3.740 11.505 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.226 3.362 12.840 1.00 0.00 C ATOM 1565 CD GLN A 96 -4.104 2.428 13.649 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -3.911 1.212 13.639 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -5.075 2.992 14.357 1.00 0.00 N ATOM 0 H GLN A 96 -1.821 3.491 10.119 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.723 1.677 10.922 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.380 4.654 11.141 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.905 3.962 11.656 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.261 2.887 12.665 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.036 4.267 13.417 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.199 4.004 14.336 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.697 2.413 14.922 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.823 3.644 8.520 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.885 3.812 7.536 1.00 0.00 C ATOM 1578 C ALA A 97 -6.000 2.585 6.638 1.00 0.00 C ATOM 1579 O ALA A 97 -7.032 1.913 6.619 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.637 5.059 6.700 1.00 0.00 C ATOM 0 H ALA A 97 -4.038 4.285 8.407 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.828 3.928 8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.438 5.172 5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.612 5.934 7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.683 4.965 6.181 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.937 2.299 5.895 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.920 1.152 4.995 1.00 0.00 C ATOM 1588 C ILE A 98 -5.355 -0.119 5.716 1.00 0.00 C ATOM 1589 O ILE A 98 -6.257 -0.824 5.264 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.521 0.933 4.390 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -3.051 2.195 3.664 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.536 -0.256 3.440 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.547 2.357 3.646 1.00 0.00 C ATOM 0 H ILE A 98 -4.076 2.846 5.898 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.624 1.370 4.192 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.821 0.720 5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.418 2.172 2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.497 3.067 4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.540 -0.399 3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.832 -1.153 3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.246 -0.069 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.286 3.273 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.175 2.412 4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.095 1.503 3.141 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.708 -0.405 6.842 1.00 0.00 N ATOM 1606 CA HIS A 99 -5.030 -1.591 7.628 1.00 0.00 C ATOM 1607 C HIS A 99 -6.533 -1.693 7.866 1.00 0.00 C ATOM 1608 O HIS A 99 -7.146 -2.724 7.590 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.291 -1.557 8.966 1.00 0.00 C ATOM 1610 CG HIS A 99 -3.966 -2.916 9.506 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.756 -3.225 10.090 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.703 -4.051 9.548 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -2.762 -4.491 10.468 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -3.933 -5.014 10.151 1.00 0.00 N ATOM 0 H HIS A 99 -3.958 0.168 7.230 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.709 -2.468 7.066 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.367 -0.992 8.847 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.900 -1.022 9.695 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.709 -4.175 9.176 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.948 -5.010 10.953 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.219 -5.977 10.326 1.00 0.00 H new ATOM 1623 N SER A 100 -7.121 -0.618 8.381 1.00 0.00 N ATOM 1624 CA SER A 100 -8.552 -0.589 8.660 1.00 0.00 C ATOM 1625 C SER A 100 -9.359 -0.813 7.385 1.00 0.00 C ATOM 1626 O SER A 100 -10.279 -1.631 7.354 1.00 0.00 O ATOM 1627 CB SER A 100 -8.941 0.747 9.296 1.00 0.00 C ATOM 1628 OG SER A 100 -8.257 0.948 10.521 1.00 0.00 O ATOM 0 H SER A 100 -6.628 0.244 8.614 1.00 0.00 H new ATOM 0 HA SER A 100 -8.778 -1.395 9.358 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.710 1.561 8.609 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.017 0.771 9.469 1.00 0.00 H new ATOM 0 HG SER A 100 -7.371 1.327 10.343 1.00 0.00 H new ATOM 1634 N THR A 101 -9.008 -0.080 6.333 1.00 0.00 N ATOM 1635 CA THR A 101 -9.699 -0.197 5.056 1.00 0.00 C ATOM 1636 C THR A 101 -9.831 -1.656 4.633 1.00 0.00 C ATOM 1637 O THR A 101 -10.880 -2.078 4.147 1.00 0.00 O ATOM 1638 CB THR A 101 -8.966 0.582 3.947 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.811 1.953 4.333 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.730 0.503 2.634 1.00 0.00 C ATOM 0 H THR A 101 -8.249 0.601 6.341 1.00 0.00 H new ATOM 0 HA THR A 101 -10.692 0.230 5.195 1.00 0.00 H new ATOM 0 HB THR A 101 -7.984 0.131 3.805 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.143 2.018 5.047 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.193 1.060 1.866 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.821 -0.539 2.328 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.724 0.931 2.765 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.761 -2.421 4.822 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.759 -3.833 4.462 1.00 0.00 C ATOM 1650 C ILE A 102 -9.731 -4.623 5.332 1.00 0.00 C ATOM 1651 O ILE A 102 -10.526 -5.419 4.829 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.353 -4.446 4.596 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.372 -3.737 3.659 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.395 -5.937 4.297 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.931 -3.836 4.107 1.00 0.00 C ATOM 0 H ILE A 102 -7.885 -2.086 5.222 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.075 -3.894 3.421 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.010 -4.310 5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.464 -4.163 2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.649 -2.686 3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.394 -6.356 4.396 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.066 -6.430 5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.755 -6.094 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.292 -3.312 3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.825 -3.384 5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.636 -4.884 4.155 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.663 -4.398 6.640 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.539 -5.088 7.581 1.00 0.00 C ATOM 1669 C HIS A 103 -11.969 -5.145 7.050 1.00 0.00 C ATOM 1670 O HIS A 103 -12.628 -6.183 7.123 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.515 -4.388 8.940 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.496 -4.951 9.921 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.844 -5.059 9.862 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -11.123 -5.486 11.136 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -13.256 -5.653 11.030 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -12.199 -5.900 11.781 1.00 0.00 N flip ATOM 0 H HIS A 103 -9.011 -3.744 7.073 1.00 0.00 H new ATOM 0 HA HIS A 103 -10.173 -6.108 7.700 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.512 -4.461 9.359 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.724 -3.328 8.797 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.110 -5.556 11.503 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -14.279 -5.881 11.291 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -12.211 -6.336 12.703 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.442 -4.024 6.517 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.794 -3.946 5.974 1.00 0.00 C ATOM 1687 C LEU A 104 -14.023 -5.031 4.927 1.00 0.00 C ATOM 1688 O LEU A 104 -15.115 -5.594 4.829 1.00 0.00 O ATOM 1689 CB LEU A 104 -14.039 -2.567 5.360 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.888 -1.375 6.304 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.944 -0.068 5.528 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.966 -1.405 7.378 1.00 0.00 C ATOM 0 H LEU A 104 -11.910 -3.157 6.449 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.498 -4.102 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.349 -2.435 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -15.047 -2.550 4.945 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.915 -1.444 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.835 0.769 6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.136 -0.044 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.902 0.009 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.843 -0.549 8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.949 -1.362 6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.880 -2.326 7.955 1.00 0.00 H new ATOM 1704 N LEU A 105 -12.988 -5.322 4.147 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.076 -6.341 3.107 1.00 0.00 C ATOM 1706 C LEU A 105 -13.039 -7.741 3.713 1.00 0.00 C ATOM 1707 O LEU A 105 -13.661 -8.669 3.196 1.00 0.00 O ATOM 1708 CB LEU A 105 -11.931 -6.176 2.106 1.00 0.00 C ATOM 1709 CG LEU A 105 -12.103 -5.068 1.067 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.769 -4.731 0.419 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -13.121 -5.479 0.013 1.00 0.00 C ATOM 0 H LEU A 105 -12.078 -4.867 4.215 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.026 -6.214 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.013 -5.986 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.795 -7.121 1.581 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.473 -4.176 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.912 -3.940 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.069 -4.393 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.369 -5.618 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.231 -4.678 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.780 -6.385 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.082 -5.669 0.490 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.308 -7.885 4.813 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.192 -9.170 5.492 1.00 0.00 C ATOM 1725 C LYS A 106 -13.566 -9.705 5.882 1.00 0.00 C ATOM 1726 O LYS A 106 -13.847 -10.894 5.727 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.313 -9.034 6.738 1.00 0.00 C ATOM 1728 CG LYS A 106 -9.849 -8.776 6.425 1.00 0.00 C ATOM 1729 CD LYS A 106 -9.032 -8.593 7.693 1.00 0.00 C ATOM 1730 CE LYS A 106 -7.688 -7.943 7.400 1.00 0.00 C ATOM 1731 NZ LYS A 106 -6.703 -8.191 8.489 1.00 0.00 N ATOM 0 H LYS A 106 -11.787 -7.127 5.254 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.729 -9.876 4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.693 -8.219 7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.394 -9.945 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.447 -9.609 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.760 -7.886 5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.588 -7.978 8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.874 -9.561 8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.295 -8.330 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.824 -6.869 7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.800 -7.732 8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.066 -7.800 9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.553 -9.215 8.595 1.00 0.00 H new