USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 784 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 36 SER OG : rot 180:sc= -0.0317 USER MOD Set 1.2: A 70 MET CE :methyl 170:sc= -0.467 (180deg=-0.922) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -2.33 K(o=-2.3,f=-3.8) USER MOD Single : A 9 THR OG1 : rot 140:sc= -1.81! USER MOD Single : A 11 HIS : no HD1:sc= -3.6! C(o=-3.6!,f=-4.1!) USER MOD Single : A 12 GLN : amide:sc= -0.0993 K(o=-0.099,f=-0.91) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -5.93! C(o=-5.9!,f=-8.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -163:sc= 0.00094 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -1.03 USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= -1.11 (180deg=-1.81!) USER MOD Single : A 45 SER OG : rot 180:sc=-0.00152 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0296 X(o=-0.03,f=-0.34) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.509 X(o=-0.51,f=-0.14) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.34) USER MOD Single : A 58 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.37) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -67:sc= 0.107 USER MOD Single : A 64 GLN : amide:sc= -1.1 K(o=-1.1,f=-2!) USER MOD Single : A 68 HIS : no HD1:sc= -0.564 X(o=-0.56,f=-0.21) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HE2:sc= 0.00404 F(o=-0.67,f=0.004) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 153:sc= -6.05! (180deg=-9.54!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 90:sc= -6.51! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.36) USER MOD Single : A 90 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.159) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.0045) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 8.901 3.946 13.364 1.00 0.00 N ATOM 2 CA ARG A 1 9.706 5.139 13.734 1.00 0.00 C ATOM 3 C ARG A 1 9.970 6.026 12.521 1.00 0.00 C ATOM 4 O ARG A 1 9.743 7.235 12.563 1.00 0.00 O ATOM 5 CB ARG A 1 11.029 4.666 14.340 1.00 0.00 C ATOM 6 CG ARG A 1 11.751 5.740 15.137 1.00 0.00 C ATOM 7 CD ARG A 1 13.241 5.454 15.234 1.00 0.00 C ATOM 8 NE ARG A 1 13.959 6.517 15.932 1.00 0.00 N ATOM 9 CZ ARG A 1 15.284 6.561 16.054 1.00 0.00 C ATOM 10 NH1 ARG A 1 16.038 5.605 15.526 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.856 7.564 16.706 1.00 0.00 N ATOM 0 H1 ARG A 1 8.738 3.362 14.209 1.00 0.00 H new ATOM 0 H2 ARG A 1 7.987 4.252 12.972 1.00 0.00 H new ATOM 0 H3 ARG A 1 9.414 3.388 12.652 1.00 0.00 H new ATOM 0 HA ARG A 1 9.151 5.733 14.460 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.837 3.811 14.989 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.682 4.318 13.540 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.596 6.711 14.666 1.00 0.00 H new ATOM 0 HG3 ARG A 1 11.325 5.800 16.138 1.00 0.00 H new ATOM 0 HD2 ARG A 1 13.395 4.509 15.756 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.653 5.336 14.232 1.00 0.00 H new ATOM 0 HE ARG A 1 13.413 7.270 16.351 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.603 4.831 15.024 1.00 0.00 H new ATOM 0 HH12 ARG A 1 17.053 5.644 15.623 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.281 8.301 17.114 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.871 7.598 16.800 1.00 0.00 H new ATOM 27 N GLU A 2 10.452 5.417 11.443 1.00 0.00 N ATOM 28 CA GLU A 2 10.748 6.152 10.218 1.00 0.00 C ATOM 29 C GLU A 2 10.023 5.540 9.024 1.00 0.00 C ATOM 30 O GLU A 2 10.504 5.606 7.893 1.00 0.00 O ATOM 31 CB GLU A 2 12.256 6.168 9.960 1.00 0.00 C ATOM 32 CG GLU A 2 13.079 6.520 11.188 1.00 0.00 C ATOM 33 CD GLU A 2 14.214 7.476 10.876 1.00 0.00 C ATOM 34 OE1 GLU A 2 14.797 7.367 9.777 1.00 0.00 O ATOM 35 OE2 GLU A 2 14.520 8.333 11.732 1.00 0.00 O ATOM 0 H GLU A 2 10.646 4.417 11.392 1.00 0.00 H new ATOM 0 HA GLU A 2 10.396 7.176 10.346 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.564 5.188 9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.473 6.886 9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.429 6.967 11.940 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.487 5.607 11.621 1.00 0.00 H new ATOM 42 N TRP A 3 8.862 4.946 9.283 1.00 0.00 N ATOM 43 CA TRP A 3 8.071 4.324 8.227 1.00 0.00 C ATOM 44 C TRP A 3 6.929 5.239 7.800 1.00 0.00 C ATOM 45 O TRP A 3 6.836 5.630 6.637 1.00 0.00 O ATOM 46 CB TRP A 3 7.513 2.979 8.699 1.00 0.00 C ATOM 47 CG TRP A 3 8.494 2.167 9.490 1.00 0.00 C ATOM 48 CD1 TRP A 3 9.854 2.291 9.488 1.00 0.00 C ATOM 49 CD2 TRP A 3 8.189 1.104 10.400 1.00 0.00 C ATOM 50 NE1 TRP A 3 10.413 1.371 10.342 1.00 0.00 N ATOM 51 CE2 TRP A 3 9.411 0.630 10.913 1.00 0.00 C ATOM 52 CE3 TRP A 3 7.001 0.507 10.832 1.00 0.00 C ATOM 53 CZ2 TRP A 3 9.478 -0.412 11.835 1.00 0.00 C ATOM 54 CZ3 TRP A 3 7.069 -0.527 11.747 1.00 0.00 C ATOM 55 CH2 TRP A 3 8.300 -0.977 12.240 1.00 0.00 C ATOM 0 H TRP A 3 8.449 4.882 10.213 1.00 0.00 H new ATOM 0 HA TRP A 3 8.722 4.155 7.370 1.00 0.00 H new ATOM 0 HB2 TRP A 3 6.626 3.156 9.308 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.193 2.403 7.831 1.00 0.00 H new ATOM 0 HD1 TRP A 3 10.409 3.008 8.901 1.00 0.00 H new ATOM 0 HE1 TRP A 3 11.411 1.258 10.522 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.047 0.848 10.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.426 -0.761 12.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 6.157 -0.996 12.087 1.00 0.00 H new ATOM 0 HH2 TRP A 3 8.320 -1.787 12.955 1.00 0.00 H new ATOM 66 N TYR A 4 6.063 5.577 8.750 1.00 0.00 N ATOM 67 CA TYR A 4 4.926 6.450 8.473 1.00 0.00 C ATOM 68 C TYR A 4 5.164 7.850 9.030 1.00 0.00 C ATOM 69 O TYR A 4 5.020 8.087 10.229 1.00 0.00 O ATOM 70 CB TYR A 4 3.637 5.864 9.061 1.00 0.00 C ATOM 71 CG TYR A 4 3.832 5.147 10.379 1.00 0.00 C ATOM 72 CD1 TYR A 4 3.799 5.841 11.582 1.00 0.00 C ATOM 73 CD2 TYR A 4 4.048 3.775 10.419 1.00 0.00 C ATOM 74 CE1 TYR A 4 3.975 5.188 12.787 1.00 0.00 C ATOM 75 CE2 TYR A 4 4.225 3.115 11.620 1.00 0.00 C ATOM 76 CZ TYR A 4 4.188 3.826 12.801 1.00 0.00 C ATOM 77 OH TYR A 4 4.364 3.172 13.999 1.00 0.00 O ATOM 0 H TYR A 4 6.126 5.260 9.718 1.00 0.00 H new ATOM 0 HA TYR A 4 4.818 6.522 7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 4 2.915 6.668 9.200 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.205 5.169 8.341 1.00 0.00 H new ATOM 0 HD1 TYR A 4 3.633 6.908 11.575 1.00 0.00 H new ATOM 0 HD2 TYR A 4 4.078 3.215 9.496 1.00 0.00 H new ATOM 0 HE1 TYR A 4 3.946 5.742 13.714 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.391 2.048 11.634 1.00 0.00 H new ATOM 0 HH TYR A 4 4.501 2.216 13.833 1.00 0.00 H new ATOM 87 N TYR A 5 5.529 8.774 8.147 1.00 0.00 N ATOM 88 CA TYR A 5 5.789 10.155 8.539 1.00 0.00 C ATOM 89 C TYR A 5 4.719 11.094 7.980 1.00 0.00 C ATOM 90 O TYR A 5 4.577 12.229 8.435 1.00 0.00 O ATOM 91 CB TYR A 5 7.171 10.587 8.046 1.00 0.00 C ATOM 92 CG TYR A 5 7.649 11.898 8.630 1.00 0.00 C ATOM 93 CD1 TYR A 5 7.536 12.159 9.990 1.00 0.00 C ATOM 94 CD2 TYR A 5 8.215 12.875 7.820 1.00 0.00 C ATOM 95 CE1 TYR A 5 7.973 13.355 10.526 1.00 0.00 C ATOM 96 CE2 TYR A 5 8.656 14.073 8.348 1.00 0.00 C ATOM 97 CZ TYR A 5 8.532 14.309 9.701 1.00 0.00 C ATOM 98 OH TYR A 5 8.969 15.501 10.230 1.00 0.00 O ATOM 0 H TYR A 5 5.652 8.590 7.151 1.00 0.00 H new ATOM 0 HA TYR A 5 5.760 10.212 9.627 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.893 9.807 8.290 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.148 10.672 6.960 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.099 11.414 10.639 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.312 12.695 6.760 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.877 13.542 11.585 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.096 14.821 7.705 1.00 0.00 H new ATOM 0 HH TYR A 5 9.337 16.061 9.515 1.00 0.00 H new ATOM 108 N GLY A 6 3.972 10.613 6.989 1.00 0.00 N ATOM 109 CA GLY A 6 2.927 11.416 6.378 1.00 0.00 C ATOM 110 C GLY A 6 2.931 11.304 4.869 1.00 0.00 C ATOM 111 O GLY A 6 1.914 11.524 4.212 1.00 0.00 O ATOM 0 H GLY A 6 4.073 9.677 6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.957 11.100 6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.059 12.460 6.664 1.00 0.00 H new ATOM 115 N ASN A 7 4.084 10.948 4.334 1.00 0.00 N ATOM 116 CA ASN A 7 4.261 10.780 2.897 1.00 0.00 C ATOM 117 C ASN A 7 5.450 9.866 2.623 1.00 0.00 C ATOM 118 O ASN A 7 6.600 10.254 2.828 1.00 0.00 O ATOM 119 CB ASN A 7 4.472 12.136 2.222 1.00 0.00 C ATOM 120 CG ASN A 7 3.275 13.053 2.380 1.00 0.00 C ATOM 121 OD1 ASN A 7 2.167 12.724 1.956 1.00 0.00 O ATOM 122 ND2 ASN A 7 3.492 14.211 2.993 1.00 0.00 N ATOM 0 H ASN A 7 4.926 10.766 4.880 1.00 0.00 H new ATOM 0 HA ASN A 7 3.360 10.325 2.485 1.00 0.00 H new ATOM 0 HB2 ASN A 7 5.353 12.617 2.647 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.672 11.984 1.161 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.724 14.868 3.128 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.427 14.443 3.329 1.00 0.00 H new ATOM 129 N VAL A 8 5.170 8.645 2.179 1.00 0.00 N ATOM 130 CA VAL A 8 6.224 7.680 1.905 1.00 0.00 C ATOM 131 C VAL A 8 5.857 6.694 0.787 1.00 0.00 C ATOM 132 O VAL A 8 5.533 5.536 1.050 1.00 0.00 O ATOM 133 CB VAL A 8 6.602 6.876 3.172 1.00 0.00 C ATOM 134 CG1 VAL A 8 7.968 7.303 3.686 1.00 0.00 C ATOM 135 CG2 VAL A 8 5.545 7.031 4.260 1.00 0.00 C ATOM 0 H VAL A 8 4.225 8.303 2.002 1.00 0.00 H new ATOM 0 HA VAL A 8 7.077 8.272 1.574 1.00 0.00 H new ATOM 0 HB VAL A 8 6.648 5.822 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.218 6.727 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.719 7.124 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.948 8.364 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.839 6.455 5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.453 8.083 4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.586 6.666 3.891 1.00 0.00 H new ATOM 145 N THR A 9 5.955 7.149 -0.461 1.00 0.00 N ATOM 146 CA THR A 9 5.687 6.297 -1.621 1.00 0.00 C ATOM 147 C THR A 9 5.814 7.085 -2.917 1.00 0.00 C ATOM 148 O THR A 9 5.942 8.308 -2.898 1.00 0.00 O ATOM 149 CB THR A 9 4.338 5.559 -1.523 1.00 0.00 C ATOM 150 OG1 THR A 9 4.546 4.160 -1.459 1.00 0.00 O ATOM 151 CG2 THR A 9 3.389 5.814 -2.683 1.00 0.00 C ATOM 0 H THR A 9 6.219 8.106 -0.696 1.00 0.00 H new ATOM 0 HA THR A 9 6.450 5.519 -1.627 1.00 0.00 H new ATOM 0 HB THR A 9 3.877 5.954 -0.618 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.925 3.766 -0.811 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.467 5.254 -2.528 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.162 6.879 -2.740 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.857 5.492 -3.613 1.00 0.00 H new ATOM 159 N ARG A 10 5.813 6.362 -4.036 1.00 0.00 N ATOM 160 CA ARG A 10 5.968 6.959 -5.357 1.00 0.00 C ATOM 161 C ARG A 10 7.390 7.496 -5.511 1.00 0.00 C ATOM 162 O ARG A 10 8.116 7.117 -6.431 1.00 0.00 O ATOM 163 CB ARG A 10 4.936 8.065 -5.568 1.00 0.00 C ATOM 164 CG ARG A 10 5.277 9.034 -6.695 1.00 0.00 C ATOM 165 CD ARG A 10 5.709 8.301 -7.958 1.00 0.00 C ATOM 166 NE ARG A 10 4.930 8.708 -9.126 1.00 0.00 N ATOM 167 CZ ARG A 10 4.890 8.020 -10.265 1.00 0.00 C ATOM 168 NH1 ARG A 10 5.579 6.892 -10.391 1.00 0.00 N ATOM 169 NH2 ARG A 10 4.159 8.459 -11.280 1.00 0.00 N ATOM 0 H ARG A 10 5.705 5.348 -4.050 1.00 0.00 H new ATOM 0 HA ARG A 10 5.798 6.198 -6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.969 7.608 -5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.829 8.628 -4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.410 9.656 -6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.075 9.702 -6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.766 8.492 -8.144 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.601 7.227 -7.808 1.00 0.00 H new ATOM 0 HE ARG A 10 4.386 9.569 -9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.142 6.549 -9.613 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.545 6.369 -11.266 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.627 9.324 -11.189 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.129 7.931 -12.152 1.00 0.00 H new ATOM 183 N HIS A 11 7.788 8.354 -4.580 1.00 0.00 N ATOM 184 CA HIS A 11 9.130 8.922 -4.569 1.00 0.00 C ATOM 185 C HIS A 11 9.896 8.365 -3.376 1.00 0.00 C ATOM 186 O HIS A 11 11.033 7.905 -3.496 1.00 0.00 O ATOM 187 CB HIS A 11 9.084 10.454 -4.491 1.00 0.00 C ATOM 188 CG HIS A 11 7.835 11.061 -5.055 1.00 0.00 C ATOM 189 ND1 HIS A 11 6.649 11.130 -4.354 1.00 0.00 N ATOM 190 CD2 HIS A 11 7.594 11.639 -6.256 1.00 0.00 C ATOM 191 CE1 HIS A 11 5.733 11.723 -5.099 1.00 0.00 C ATOM 192 NE2 HIS A 11 6.282 12.042 -6.257 1.00 0.00 N ATOM 0 H HIS A 11 7.194 8.674 -3.816 1.00 0.00 H new ATOM 0 HA HIS A 11 9.633 8.649 -5.497 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.183 10.757 -3.449 1.00 0.00 H new ATOM 0 HB3 HIS A 11 9.944 10.860 -5.024 1.00 0.00 H new ATOM 0 HD2 HIS A 11 8.302 11.760 -7.062 1.00 0.00 H new ATOM 0 HE1 HIS A 11 4.710 11.914 -4.810 1.00 0.00 H new ATOM 0 HE2 HIS A 11 5.807 12.512 -7.028 1.00 0.00 H new ATOM 201 N GLN A 12 9.247 8.392 -2.219 1.00 0.00 N ATOM 202 CA GLN A 12 9.845 7.874 -1.002 1.00 0.00 C ATOM 203 C GLN A 12 9.874 6.353 -1.043 1.00 0.00 C ATOM 204 O GLN A 12 10.858 5.732 -0.642 1.00 0.00 O ATOM 205 CB GLN A 12 9.062 8.346 0.219 1.00 0.00 C ATOM 206 CG GLN A 12 8.723 9.827 0.194 1.00 0.00 C ATOM 207 CD GLN A 12 9.807 10.684 0.817 1.00 0.00 C ATOM 208 OE1 GLN A 12 10.413 10.307 1.820 1.00 0.00 O ATOM 209 NE2 GLN A 12 10.058 11.846 0.223 1.00 0.00 N ATOM 0 H GLN A 12 8.306 8.768 -2.101 1.00 0.00 H new ATOM 0 HA GLN A 12 10.866 8.249 -0.929 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.138 7.772 0.291 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.642 8.130 1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 12 8.564 10.142 -0.837 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.786 9.990 0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.531 12.119 -0.607 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.777 12.465 0.597 1.00 0.00 H new ATOM 218 N ALA A 13 8.791 5.753 -1.542 1.00 0.00 N ATOM 219 CA ALA A 13 8.716 4.298 -1.639 1.00 0.00 C ATOM 220 C ALA A 13 9.943 3.754 -2.353 1.00 0.00 C ATOM 221 O ALA A 13 10.520 2.760 -1.931 1.00 0.00 O ATOM 222 CB ALA A 13 7.451 3.859 -2.355 1.00 0.00 C ATOM 0 H ALA A 13 7.965 6.247 -1.881 1.00 0.00 H new ATOM 0 HA ALA A 13 8.687 3.894 -0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.424 2.771 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.580 4.216 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.440 4.275 -3.362 1.00 0.00 H new ATOM 228 N GLU A 14 10.371 4.436 -3.409 1.00 0.00 N ATOM 229 CA GLU A 14 11.571 4.014 -4.122 1.00 0.00 C ATOM 230 C GLU A 14 12.768 4.326 -3.253 1.00 0.00 C ATOM 231 O GLU A 14 13.748 3.593 -3.235 1.00 0.00 O ATOM 232 CB GLU A 14 11.726 4.676 -5.498 1.00 0.00 C ATOM 233 CG GLU A 14 10.992 5.994 -5.656 1.00 0.00 C ATOM 234 CD GLU A 14 10.938 6.465 -7.097 1.00 0.00 C ATOM 235 OE1 GLU A 14 10.531 5.668 -7.968 1.00 0.00 O ATOM 236 OE2 GLU A 14 11.304 7.632 -7.354 1.00 0.00 O ATOM 0 H GLU A 14 9.916 5.268 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 14 11.490 2.944 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.786 4.842 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.369 3.984 -6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.976 5.888 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.483 6.754 -5.048 1.00 0.00 H new ATOM 243 N CYS A 15 12.662 5.414 -2.502 1.00 0.00 N ATOM 244 CA CYS A 15 13.726 5.802 -1.590 1.00 0.00 C ATOM 245 C CYS A 15 13.895 4.747 -0.489 1.00 0.00 C ATOM 246 O CYS A 15 14.882 4.760 0.246 1.00 0.00 O ATOM 247 CB CYS A 15 13.423 7.165 -0.966 1.00 0.00 C ATOM 248 SG CYS A 15 14.886 8.045 -0.372 1.00 0.00 S ATOM 0 H CYS A 15 11.856 6.039 -2.507 1.00 0.00 H new ATOM 0 HA CYS A 15 14.655 5.874 -2.155 1.00 0.00 H new ATOM 0 HB2 CYS A 15 12.913 7.785 -1.703 1.00 0.00 H new ATOM 0 HB3 CYS A 15 12.733 7.027 -0.134 1.00 0.00 H new ATOM 0 HG CYS A 15 14.529 9.187 0.137 1.00 0.00 H new ATOM 254 N ALA A 16 12.920 3.834 -0.379 1.00 0.00 N ATOM 255 CA ALA A 16 12.961 2.778 0.632 1.00 0.00 C ATOM 256 C ALA A 16 13.115 1.399 0.003 1.00 0.00 C ATOM 257 O ALA A 16 13.767 0.517 0.563 1.00 0.00 O ATOM 258 CB ALA A 16 11.686 2.806 1.447 1.00 0.00 C ATOM 0 H ALA A 16 12.096 3.809 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 16 13.826 2.963 1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.718 2.018 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.589 3.774 1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.831 2.646 0.790 1.00 0.00 H new ATOM 264 N LEU A 17 12.516 1.224 -1.166 1.00 0.00 N ATOM 265 CA LEU A 17 12.585 -0.043 -1.883 1.00 0.00 C ATOM 266 C LEU A 17 13.443 0.116 -3.125 1.00 0.00 C ATOM 267 O LEU A 17 13.401 -0.713 -4.031 1.00 0.00 O ATOM 268 CB LEU A 17 11.187 -0.527 -2.269 1.00 0.00 C ATOM 269 CG LEU A 17 10.065 0.026 -1.398 1.00 0.00 C ATOM 270 CD1 LEU A 17 8.710 -0.236 -2.019 1.00 0.00 C ATOM 271 CD2 LEU A 17 10.142 -0.557 -0.001 1.00 0.00 C ATOM 0 H LEU A 17 11.974 1.946 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 17 13.034 -0.788 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.994 -0.252 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.166 -1.616 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 17 10.192 1.106 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.930 0.170 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.659 0.243 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.564 -1.310 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.334 -0.151 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.048 -1.642 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.100 -0.298 0.449 1.00 0.00 H new ATOM 283 N ASN A 18 14.215 1.203 -3.147 1.00 0.00 N ATOM 284 CA ASN A 18 15.108 1.529 -4.253 1.00 0.00 C ATOM 285 C ASN A 18 15.630 0.270 -4.915 1.00 0.00 C ATOM 286 O ASN A 18 15.735 0.186 -6.139 1.00 0.00 O ATOM 287 CB ASN A 18 16.303 2.348 -3.753 1.00 0.00 C ATOM 288 CG ASN A 18 16.151 2.871 -2.335 1.00 0.00 C ATOM 289 OD1 ASN A 18 15.959 4.068 -2.121 1.00 0.00 O ATOM 290 ND2 ASN A 18 16.240 1.975 -1.358 1.00 0.00 N ATOM 0 H ASN A 18 14.236 1.886 -2.390 1.00 0.00 H new ATOM 0 HA ASN A 18 14.536 2.110 -4.977 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.200 1.731 -3.806 1.00 0.00 H new ATOM 0 HB3 ASN A 18 16.457 3.192 -4.425 1.00 0.00 H new ATOM 0 HD21 ASN A 18 16.148 2.270 -0.386 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.400 0.992 -1.580 1.00 0.00 H new ATOM 297 N GLU A 19 15.951 -0.705 -4.077 1.00 0.00 N ATOM 298 CA GLU A 19 16.467 -1.993 -4.543 1.00 0.00 C ATOM 299 C GLU A 19 15.738 -2.442 -5.808 1.00 0.00 C ATOM 300 O GLU A 19 16.327 -3.068 -6.689 1.00 0.00 O ATOM 301 CB GLU A 19 16.326 -3.051 -3.449 1.00 0.00 C ATOM 302 CG GLU A 19 17.545 -3.155 -2.547 1.00 0.00 C ATOM 303 CD GLU A 19 18.690 -3.905 -3.199 1.00 0.00 C ATOM 304 OE1 GLU A 19 18.749 -5.143 -3.052 1.00 0.00 O ATOM 305 OE2 GLU A 19 19.528 -3.253 -3.857 1.00 0.00 O ATOM 0 H GLU A 19 15.864 -0.632 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 19 17.524 -1.871 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.452 -2.819 -2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.143 -4.020 -3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.879 -2.153 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.266 -3.659 -1.622 1.00 0.00 H new ATOM 312 N ARG A 20 14.452 -2.095 -5.888 1.00 0.00 N ATOM 313 CA ARG A 20 13.614 -2.427 -7.041 1.00 0.00 C ATOM 314 C ARG A 20 13.015 -3.820 -6.909 1.00 0.00 C ATOM 315 O ARG A 20 13.388 -4.739 -7.638 1.00 0.00 O ATOM 316 CB ARG A 20 14.411 -2.318 -8.348 1.00 0.00 C ATOM 317 CG ARG A 20 13.549 -2.040 -9.570 1.00 0.00 C ATOM 318 CD ARG A 20 12.986 -0.628 -9.548 1.00 0.00 C ATOM 319 NE ARG A 20 13.880 0.329 -10.196 1.00 0.00 N ATOM 320 CZ ARG A 20 14.178 0.305 -11.494 1.00 0.00 C ATOM 321 NH1 ARG A 20 13.662 -0.628 -12.284 1.00 0.00 N ATOM 322 NH2 ARG A 20 14.996 1.216 -12.002 1.00 0.00 N ATOM 0 H ARG A 20 13.964 -1.577 -5.157 1.00 0.00 H new ATOM 0 HA ARG A 20 12.798 -1.705 -7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 20 15.150 -1.523 -8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.961 -3.246 -8.506 1.00 0.00 H new ATOM 0 HG2 ARG A 20 14.141 -2.182 -10.474 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.730 -2.758 -9.609 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.018 -0.616 -10.049 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.815 -0.322 -8.516 1.00 0.00 H new ATOM 0 HE ARG A 20 14.301 1.058 -9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.033 -1.332 -11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.894 -0.641 -13.277 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.397 1.935 -11.399 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.225 1.198 -12.996 1.00 0.00 H new ATOM 336 N GLY A 21 12.076 -3.971 -5.979 1.00 0.00 N ATOM 337 CA GLY A 21 11.441 -5.261 -5.784 1.00 0.00 C ATOM 338 C GLY A 21 12.141 -6.101 -4.736 1.00 0.00 C ATOM 339 O GLY A 21 12.684 -7.163 -5.042 1.00 0.00 O ATOM 0 H GLY A 21 11.746 -3.229 -5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.402 -5.110 -5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.428 -5.803 -6.730 1.00 0.00 H new ATOM 343 N VAL A 22 12.134 -5.622 -3.498 1.00 0.00 N ATOM 344 CA VAL A 22 12.778 -6.333 -2.401 1.00 0.00 C ATOM 345 C VAL A 22 11.770 -6.725 -1.325 1.00 0.00 C ATOM 346 O VAL A 22 11.094 -5.871 -0.752 1.00 0.00 O ATOM 347 CB VAL A 22 13.893 -5.483 -1.758 1.00 0.00 C ATOM 348 CG1 VAL A 22 15.231 -5.774 -2.418 1.00 0.00 C ATOM 349 CG2 VAL A 22 13.560 -3.999 -1.837 1.00 0.00 C ATOM 0 H VAL A 22 11.690 -4.744 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 22 13.216 -7.235 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 22 13.965 -5.754 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.006 -5.166 -1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.475 -6.829 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.172 -5.536 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.362 -3.421 -1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.454 -3.705 -2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.626 -3.807 -1.309 1.00 0.00 H new ATOM 359 N GLU A 23 11.680 -8.026 -1.054 1.00 0.00 N ATOM 360 CA GLU A 23 10.760 -8.546 -0.044 1.00 0.00 C ATOM 361 C GLU A 23 9.360 -7.957 -0.208 1.00 0.00 C ATOM 362 O GLU A 23 9.085 -7.236 -1.167 1.00 0.00 O ATOM 363 CB GLU A 23 11.293 -8.249 1.360 1.00 0.00 C ATOM 364 CG GLU A 23 11.352 -9.474 2.259 1.00 0.00 C ATOM 365 CD GLU A 23 12.212 -10.581 1.681 1.00 0.00 C ATOM 366 OE1 GLU A 23 11.684 -11.390 0.888 1.00 0.00 O ATOM 367 OE2 GLU A 23 13.412 -10.639 2.020 1.00 0.00 O ATOM 0 H GLU A 23 12.236 -8.742 -1.522 1.00 0.00 H new ATOM 0 HA GLU A 23 10.690 -9.625 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.292 -7.820 1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.660 -7.495 1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.744 -9.186 3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.342 -9.850 2.421 1.00 0.00 H new ATOM 374 N GLY A 24 8.479 -8.271 0.737 1.00 0.00 N ATOM 375 CA GLY A 24 7.120 -7.766 0.682 1.00 0.00 C ATOM 376 C GLY A 24 6.976 -6.421 1.367 1.00 0.00 C ATOM 377 O GLY A 24 6.221 -6.284 2.330 1.00 0.00 O ATOM 0 H GLY A 24 8.683 -8.866 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.811 -7.676 -0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.449 -8.484 1.153 1.00 0.00 H new ATOM 381 N ASP A 25 7.704 -5.426 0.870 1.00 0.00 N ATOM 382 CA ASP A 25 7.660 -4.084 1.439 1.00 0.00 C ATOM 383 C ASP A 25 6.502 -3.282 0.851 1.00 0.00 C ATOM 384 O ASP A 25 6.465 -3.021 -0.350 1.00 0.00 O ATOM 385 CB ASP A 25 8.983 -3.359 1.179 1.00 0.00 C ATOM 386 CG ASP A 25 9.539 -2.691 2.422 1.00 0.00 C ATOM 387 OD1 ASP A 25 8.933 -2.845 3.503 1.00 0.00 O ATOM 388 OD2 ASP A 25 10.582 -2.014 2.314 1.00 0.00 O ATOM 0 H ASP A 25 8.333 -5.524 0.073 1.00 0.00 H new ATOM 0 HA ASP A 25 7.506 -4.174 2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.714 -4.072 0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.834 -2.608 0.403 1.00 0.00 H new ATOM 393 N PHE A 26 5.563 -2.891 1.710 1.00 0.00 N ATOM 394 CA PHE A 26 4.393 -2.120 1.288 1.00 0.00 C ATOM 395 C PHE A 26 4.226 -0.913 2.187 1.00 0.00 C ATOM 396 O PHE A 26 4.337 -1.012 3.409 1.00 0.00 O ATOM 397 CB PHE A 26 3.122 -2.979 1.367 1.00 0.00 C ATOM 398 CG PHE A 26 2.239 -2.954 0.137 1.00 0.00 C ATOM 399 CD1 PHE A 26 2.226 -1.863 -0.710 1.00 0.00 C ATOM 400 CD2 PHE A 26 1.406 -4.028 -0.158 1.00 0.00 C ATOM 401 CE1 PHE A 26 1.404 -1.835 -1.826 1.00 0.00 C ATOM 402 CE2 PHE A 26 0.583 -4.009 -1.269 1.00 0.00 C ATOM 403 CZ PHE A 26 0.580 -2.909 -2.105 1.00 0.00 C ATOM 0 H PHE A 26 5.589 -3.096 2.709 1.00 0.00 H new ATOM 0 HA PHE A 26 4.546 -1.801 0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.414 -4.011 1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.533 -2.647 2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.866 -1.019 -0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.402 -4.891 0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.408 -0.974 -2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.056 -4.853 -1.483 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.063 -2.888 -2.972 1.00 0.00 H new ATOM 413 N LEU A 27 3.964 0.225 1.577 1.00 0.00 N ATOM 414 CA LEU A 27 3.786 1.457 2.341 1.00 0.00 C ATOM 415 C LEU A 27 2.660 2.316 1.783 1.00 0.00 C ATOM 416 O LEU A 27 2.581 2.550 0.578 1.00 0.00 O ATOM 417 CB LEU A 27 5.089 2.268 2.394 1.00 0.00 C ATOM 418 CG LEU A 27 6.059 2.061 1.226 1.00 0.00 C ATOM 419 CD1 LEU A 27 7.023 3.234 1.123 1.00 0.00 C ATOM 420 CD2 LEU A 27 6.817 0.751 1.389 1.00 0.00 C ATOM 0 H LEU A 27 3.869 0.329 0.567 1.00 0.00 H new ATOM 0 HA LEU A 27 3.513 1.162 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.833 3.326 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.609 2.022 3.320 1.00 0.00 H new ATOM 0 HG LEU A 27 5.484 2.009 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.705 3.072 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.461 4.153 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.594 3.318 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.501 0.620 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.383 0.772 2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.110 -0.078 1.413 1.00 0.00 H new ATOM 432 N ILE A 28 1.800 2.790 2.687 1.00 0.00 N ATOM 433 CA ILE A 28 0.669 3.642 2.327 1.00 0.00 C ATOM 434 C ILE A 28 0.874 5.036 2.898 1.00 0.00 C ATOM 435 O ILE A 28 1.369 5.189 4.015 1.00 0.00 O ATOM 436 CB ILE A 28 -0.670 3.067 2.844 1.00 0.00 C ATOM 437 CG1 ILE A 28 -0.608 1.546 2.862 1.00 0.00 C ATOM 438 CG2 ILE A 28 -1.839 3.533 1.981 1.00 0.00 C ATOM 439 CD1 ILE A 28 -1.895 0.886 2.424 1.00 0.00 C ATOM 0 H ILE A 28 1.869 2.594 3.686 1.00 0.00 H new ATOM 0 HA ILE A 28 0.620 3.685 1.239 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.830 3.434 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.201 1.215 2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.362 1.212 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.767 3.113 2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.896 4.621 2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.690 3.198 0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.779 -0.197 2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.704 1.188 3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.132 1.191 1.405 1.00 0.00 H new ATOM 451 N ARG A 29 0.520 6.052 2.126 1.00 0.00 N ATOM 452 CA ARG A 29 0.702 7.428 2.567 1.00 0.00 C ATOM 453 C ARG A 29 -0.463 8.313 2.148 1.00 0.00 C ATOM 454 O ARG A 29 -1.121 8.056 1.144 1.00 0.00 O ATOM 455 CB ARG A 29 2.009 7.985 2.000 1.00 0.00 C ATOM 456 CG ARG A 29 2.531 7.214 0.789 1.00 0.00 C ATOM 457 CD ARG A 29 3.243 8.124 -0.214 1.00 0.00 C ATOM 458 NE ARG A 29 2.487 9.345 -0.486 1.00 0.00 N ATOM 459 CZ ARG A 29 2.962 10.372 -1.187 1.00 0.00 C ATOM 460 NH1 ARG A 29 4.187 10.328 -1.695 1.00 0.00 N ATOM 461 NH2 ARG A 29 2.207 11.445 -1.384 1.00 0.00 N ATOM 0 H ARG A 29 0.108 5.952 1.198 1.00 0.00 H new ATOM 0 HA ARG A 29 0.743 7.427 3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.858 9.027 1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.768 7.973 2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.219 6.437 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.700 6.712 0.294 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.228 8.387 0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.401 7.581 -1.146 1.00 0.00 H new ATOM 0 HE ARG A 29 1.539 9.414 -0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.770 9.504 -1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.545 11.118 -2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.263 11.482 -0.998 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.570 12.232 -1.921 1.00 0.00 H new ATOM 475 N ASP A 30 -0.702 9.363 2.925 1.00 0.00 N ATOM 476 CA ASP A 30 -1.782 10.298 2.636 1.00 0.00 C ATOM 477 C ASP A 30 -1.352 11.306 1.577 1.00 0.00 C ATOM 478 O ASP A 30 -0.183 11.685 1.506 1.00 0.00 O ATOM 479 CB ASP A 30 -2.204 11.032 3.909 1.00 0.00 C ATOM 480 CG ASP A 30 -3.648 11.491 3.860 1.00 0.00 C ATOM 481 OD1 ASP A 30 -4.508 10.700 3.420 1.00 0.00 O ATOM 482 OD2 ASP A 30 -3.918 12.643 4.263 1.00 0.00 O ATOM 0 H ASP A 30 -0.162 9.588 3.760 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.631 9.730 2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.063 10.375 4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.556 11.896 4.059 1.00 0.00 H new ATOM 487 N SER A 31 -2.304 11.739 0.760 1.00 0.00 N ATOM 488 CA SER A 31 -2.021 12.707 -0.291 1.00 0.00 C ATOM 489 C SER A 31 -2.421 14.111 0.148 1.00 0.00 C ATOM 490 O SER A 31 -3.591 14.485 0.068 1.00 0.00 O ATOM 491 CB SER A 31 -2.761 12.329 -1.576 1.00 0.00 C ATOM 492 OG SER A 31 -2.026 12.722 -2.722 1.00 0.00 O ATOM 0 H SER A 31 -3.277 11.436 0.805 1.00 0.00 H new ATOM 0 HA SER A 31 -0.948 12.696 -0.485 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.929 11.252 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.742 12.805 -1.588 1.00 0.00 H new ATOM 0 HG SER A 31 -2.519 12.468 -3.530 1.00 0.00 H new ATOM 498 N GLU A 32 -1.442 14.883 0.616 1.00 0.00 N ATOM 499 CA GLU A 32 -1.684 16.251 1.076 1.00 0.00 C ATOM 500 C GLU A 32 -2.623 16.999 0.130 1.00 0.00 C ATOM 501 O GLU A 32 -3.394 17.859 0.556 1.00 0.00 O ATOM 502 CB GLU A 32 -0.362 17.011 1.199 1.00 0.00 C ATOM 503 CG GLU A 32 0.468 16.600 2.404 1.00 0.00 C ATOM 504 CD GLU A 32 1.749 17.402 2.530 1.00 0.00 C ATOM 505 OE1 GLU A 32 2.182 17.993 1.519 1.00 0.00 O ATOM 506 OE2 GLU A 32 2.319 17.439 3.641 1.00 0.00 O ATOM 0 H GLU A 32 -0.470 14.584 0.687 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.160 16.192 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.224 16.852 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.571 18.079 1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.126 16.726 3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.713 15.541 2.328 1.00 0.00 H new ATOM 513 N SER A 33 -2.552 16.664 -1.154 1.00 0.00 N ATOM 514 CA SER A 33 -3.396 17.302 -2.159 1.00 0.00 C ATOM 515 C SER A 33 -4.874 17.098 -1.837 1.00 0.00 C ATOM 516 O SER A 33 -5.696 17.987 -2.058 1.00 0.00 O ATOM 517 CB SER A 33 -3.083 16.741 -3.547 1.00 0.00 C ATOM 518 OG SER A 33 -3.723 17.499 -4.560 1.00 0.00 O ATOM 0 H SER A 33 -1.919 15.955 -1.524 1.00 0.00 H new ATOM 0 HA SER A 33 -3.185 18.371 -2.150 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.005 16.747 -3.710 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.409 15.702 -3.605 1.00 0.00 H new ATOM 0 HG SER A 33 -3.506 17.121 -5.438 1.00 0.00 H new ATOM 524 N SER A 34 -5.203 15.921 -1.315 1.00 0.00 N ATOM 525 CA SER A 34 -6.581 15.597 -0.962 1.00 0.00 C ATOM 526 C SER A 34 -6.707 15.302 0.532 1.00 0.00 C ATOM 527 O SER A 34 -5.736 14.913 1.180 1.00 0.00 O ATOM 528 CB SER A 34 -7.068 14.396 -1.775 1.00 0.00 C ATOM 529 OG SER A 34 -8.038 14.786 -2.731 1.00 0.00 O ATOM 0 H SER A 34 -4.534 15.175 -1.127 1.00 0.00 H new ATOM 0 HA SER A 34 -7.203 16.461 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.223 13.928 -2.280 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.493 13.648 -1.106 1.00 0.00 H new ATOM 0 HG SER A 34 -8.528 13.996 -3.041 1.00 0.00 H new ATOM 535 N PRO A 35 -7.909 15.490 1.099 1.00 0.00 N ATOM 536 CA PRO A 35 -8.158 15.248 2.522 1.00 0.00 C ATOM 537 C PRO A 35 -8.316 13.766 2.848 1.00 0.00 C ATOM 538 O PRO A 35 -8.016 13.331 3.960 1.00 0.00 O ATOM 539 CB PRO A 35 -9.468 15.991 2.771 1.00 0.00 C ATOM 540 CG PRO A 35 -10.184 15.934 1.466 1.00 0.00 C ATOM 541 CD PRO A 35 -9.121 15.961 0.399 1.00 0.00 C ATOM 0 HA PRO A 35 -7.329 15.583 3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.048 15.518 3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.288 17.021 3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.786 15.028 1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.864 16.779 1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.378 15.312 -0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.985 16.964 -0.006 1.00 0.00 H new ATOM 549 N SER A 36 -8.792 12.994 1.876 1.00 0.00 N ATOM 550 CA SER A 36 -8.990 11.563 2.070 1.00 0.00 C ATOM 551 C SER A 36 -8.341 10.761 0.945 1.00 0.00 C ATOM 552 O SER A 36 -8.962 9.871 0.363 1.00 0.00 O ATOM 553 CB SER A 36 -10.484 11.241 2.149 1.00 0.00 C ATOM 554 OG SER A 36 -10.750 10.304 3.177 1.00 0.00 O ATOM 0 H SER A 36 -9.047 13.335 0.949 1.00 0.00 H new ATOM 0 HA SER A 36 -8.514 11.281 3.009 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.047 12.156 2.332 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.824 10.843 1.193 1.00 0.00 H new ATOM 0 HG SER A 36 -11.711 10.116 3.208 1.00 0.00 H new ATOM 560 N ASP A 37 -7.086 11.079 0.646 1.00 0.00 N ATOM 561 CA ASP A 37 -6.351 10.386 -0.407 1.00 0.00 C ATOM 562 C ASP A 37 -5.181 9.601 0.176 1.00 0.00 C ATOM 563 O ASP A 37 -4.423 10.118 0.997 1.00 0.00 O ATOM 564 CB ASP A 37 -5.844 11.385 -1.447 1.00 0.00 C ATOM 565 CG ASP A 37 -6.801 11.538 -2.612 1.00 0.00 C ATOM 566 OD1 ASP A 37 -8.004 11.766 -2.366 1.00 0.00 O ATOM 567 OD2 ASP A 37 -6.347 11.430 -3.771 1.00 0.00 O ATOM 0 H ASP A 37 -6.556 11.812 1.118 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.031 9.685 -0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.694 12.355 -0.973 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.873 11.058 -1.818 1.00 0.00 H new ATOM 572 N PHE A 38 -5.038 8.350 -0.252 1.00 0.00 N ATOM 573 CA PHE A 38 -3.959 7.498 0.233 1.00 0.00 C ATOM 574 C PHE A 38 -3.357 6.675 -0.905 1.00 0.00 C ATOM 575 O PHE A 38 -4.073 6.196 -1.778 1.00 0.00 O ATOM 576 CB PHE A 38 -4.472 6.569 1.335 1.00 0.00 C ATOM 577 CG PHE A 38 -4.699 7.262 2.648 1.00 0.00 C ATOM 578 CD1 PHE A 38 -3.627 7.690 3.414 1.00 0.00 C ATOM 579 CD2 PHE A 38 -5.984 7.485 3.117 1.00 0.00 C ATOM 580 CE1 PHE A 38 -3.831 8.328 4.622 1.00 0.00 C ATOM 581 CE2 PHE A 38 -6.195 8.122 4.325 1.00 0.00 C ATOM 582 CZ PHE A 38 -5.117 8.544 5.079 1.00 0.00 C ATOM 0 H PHE A 38 -5.655 7.905 -0.932 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.179 8.141 0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.406 6.113 1.008 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.756 5.760 1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.620 7.523 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.830 7.157 2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.986 8.658 5.209 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.201 8.290 4.679 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.279 9.042 6.024 1.00 0.00 H new ATOM 592 N SER A 39 -2.036 6.518 -0.885 1.00 0.00 N ATOM 593 CA SER A 39 -1.332 5.752 -1.913 1.00 0.00 C ATOM 594 C SER A 39 -0.403 4.726 -1.280 1.00 0.00 C ATOM 595 O SER A 39 0.222 5.005 -0.260 1.00 0.00 O ATOM 596 CB SER A 39 -0.512 6.680 -2.802 1.00 0.00 C ATOM 597 OG SER A 39 -0.785 6.453 -4.173 1.00 0.00 O ATOM 0 H SER A 39 -1.429 6.912 -0.166 1.00 0.00 H new ATOM 0 HA SER A 39 -2.081 5.237 -2.515 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.734 7.717 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.550 6.526 -2.610 1.00 0.00 H new ATOM 0 HG SER A 39 -0.247 7.063 -4.719 1.00 0.00 H new ATOM 603 N VAL A 40 -0.299 3.546 -1.888 1.00 0.00 N ATOM 604 CA VAL A 40 0.578 2.510 -1.355 1.00 0.00 C ATOM 605 C VAL A 40 1.215 1.663 -2.463 1.00 0.00 C ATOM 606 O VAL A 40 0.552 1.265 -3.420 1.00 0.00 O ATOM 607 CB VAL A 40 -0.170 1.609 -0.351 1.00 0.00 C ATOM 608 CG1 VAL A 40 -1.539 1.214 -0.877 1.00 0.00 C ATOM 609 CG2 VAL A 40 0.643 0.376 -0.014 1.00 0.00 C ATOM 0 H VAL A 40 -0.803 3.287 -2.736 1.00 0.00 H new ATOM 0 HA VAL A 40 1.384 3.022 -0.830 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.312 2.187 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.040 0.579 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.135 2.110 -1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.425 0.669 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.091 -0.241 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.830 -0.196 -0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.593 0.676 0.428 1.00 0.00 H new ATOM 619 N SER A 41 2.521 1.410 -2.318 1.00 0.00 N ATOM 620 CA SER A 41 3.282 0.625 -3.299 1.00 0.00 C ATOM 621 C SER A 41 3.965 -0.596 -2.666 1.00 0.00 C ATOM 622 O SER A 41 4.539 -0.498 -1.575 1.00 0.00 O ATOM 623 CB SER A 41 4.332 1.509 -3.977 1.00 0.00 C ATOM 624 OG SER A 41 4.081 1.623 -5.367 1.00 0.00 O ATOM 0 H SER A 41 3.075 1.739 -1.527 1.00 0.00 H new ATOM 0 HA SER A 41 2.571 0.257 -4.039 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.328 2.499 -3.521 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.325 1.088 -3.817 1.00 0.00 H new ATOM 0 HG SER A 41 4.764 2.194 -5.777 1.00 0.00 H new ATOM 630 N LEU A 42 3.908 -1.741 -3.368 1.00 0.00 N ATOM 631 CA LEU A 42 4.536 -2.983 -2.894 1.00 0.00 C ATOM 632 C LEU A 42 5.630 -3.439 -3.852 1.00 0.00 C ATOM 633 O LEU A 42 5.644 -3.056 -5.022 1.00 0.00 O ATOM 634 CB LEU A 42 3.512 -4.118 -2.742 1.00 0.00 C ATOM 635 CG LEU A 42 3.962 -5.297 -1.880 1.00 0.00 C ATOM 636 CD1 LEU A 42 4.484 -4.803 -0.544 1.00 0.00 C ATOM 637 CD2 LEU A 42 2.810 -6.267 -1.668 1.00 0.00 C ATOM 0 H LEU A 42 3.433 -1.830 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 42 4.967 -2.761 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.598 -3.705 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.259 -4.491 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 42 4.766 -5.819 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.801 -5.653 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.332 -4.138 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.694 -4.262 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.146 -7.101 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.989 -5.753 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.468 -6.642 -2.633 1.00 0.00 H new ATOM 649 N LYS A 43 6.540 -4.264 -3.343 1.00 0.00 N ATOM 650 CA LYS A 43 7.646 -4.787 -4.139 1.00 0.00 C ATOM 651 C LYS A 43 7.378 -6.219 -4.592 1.00 0.00 C ATOM 652 O LYS A 43 6.668 -6.974 -3.927 1.00 0.00 O ATOM 653 CB LYS A 43 8.942 -4.734 -3.328 1.00 0.00 C ATOM 654 CG LYS A 43 9.502 -3.335 -3.123 1.00 0.00 C ATOM 655 CD LYS A 43 9.603 -2.563 -4.427 1.00 0.00 C ATOM 656 CE LYS A 43 8.285 -1.897 -4.771 1.00 0.00 C ATOM 657 NZ LYS A 43 8.466 -0.719 -5.663 1.00 0.00 N ATOM 0 H LYS A 43 6.533 -4.587 -2.375 1.00 0.00 H new ATOM 0 HA LYS A 43 7.744 -4.164 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.764 -5.187 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.694 -5.343 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.865 -2.789 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.489 -3.404 -2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.385 -1.808 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.893 -3.239 -5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.630 -2.621 -5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.788 -1.583 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.547 -0.441 -6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.861 0.073 -5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.118 -0.965 -6.435 1.00 0.00 H new ATOM 671 N ALA A 44 7.959 -6.579 -5.731 1.00 0.00 N ATOM 672 CA ALA A 44 7.803 -7.914 -6.294 1.00 0.00 C ATOM 673 C ALA A 44 9.071 -8.328 -7.029 1.00 0.00 C ATOM 674 O ALA A 44 10.074 -7.616 -6.991 1.00 0.00 O ATOM 675 CB ALA A 44 6.605 -7.956 -7.232 1.00 0.00 C ATOM 0 H ALA A 44 8.547 -5.958 -6.286 1.00 0.00 H new ATOM 0 HA ALA A 44 7.629 -8.618 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.501 -8.959 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.702 -7.695 -6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.753 -7.243 -8.043 1.00 0.00 H new ATOM 681 N SER A 45 9.026 -9.476 -7.697 1.00 0.00 N ATOM 682 CA SER A 45 10.183 -9.967 -8.438 1.00 0.00 C ATOM 683 C SER A 45 10.575 -8.980 -9.534 1.00 0.00 C ATOM 684 O SER A 45 10.221 -9.156 -10.700 1.00 0.00 O ATOM 685 CB SER A 45 9.880 -11.336 -9.049 1.00 0.00 C ATOM 686 OG SER A 45 10.900 -11.730 -9.951 1.00 0.00 O ATOM 0 H SER A 45 8.206 -10.081 -7.741 1.00 0.00 H new ATOM 0 HA SER A 45 11.018 -10.067 -7.745 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.785 -12.078 -8.256 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.923 -11.301 -9.570 1.00 0.00 H new ATOM 0 HG SER A 45 10.683 -12.609 -10.326 1.00 0.00 H new ATOM 692 N GLY A 46 11.306 -7.938 -9.147 1.00 0.00 N ATOM 693 CA GLY A 46 11.736 -6.927 -10.097 1.00 0.00 C ATOM 694 C GLY A 46 10.611 -6.005 -10.538 1.00 0.00 C ATOM 695 O GLY A 46 10.833 -5.077 -11.316 1.00 0.00 O ATOM 0 H GLY A 46 11.609 -7.776 -8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.531 -6.331 -9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.160 -7.417 -10.973 1.00 0.00 H new ATOM 699 N LYS A 47 9.405 -6.258 -10.043 1.00 0.00 N ATOM 700 CA LYS A 47 8.245 -5.450 -10.388 1.00 0.00 C ATOM 701 C LYS A 47 7.793 -4.600 -9.201 1.00 0.00 C ATOM 702 O LYS A 47 8.170 -4.861 -8.059 1.00 0.00 O ATOM 703 CB LYS A 47 7.106 -6.360 -10.848 1.00 0.00 C ATOM 704 CG LYS A 47 6.752 -6.204 -12.318 1.00 0.00 C ATOM 705 CD LYS A 47 6.225 -4.811 -12.623 1.00 0.00 C ATOM 706 CE LYS A 47 4.856 -4.584 -12.004 1.00 0.00 C ATOM 707 NZ LYS A 47 4.085 -3.539 -12.733 1.00 0.00 N ATOM 0 H LYS A 47 9.206 -7.022 -9.397 1.00 0.00 H new ATOM 0 HA LYS A 47 8.522 -4.775 -11.198 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.383 -7.397 -10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.221 -6.151 -10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.634 -6.401 -12.928 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.002 -6.945 -12.593 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.924 -4.066 -12.244 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.165 -4.672 -13.702 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.295 -5.519 -12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.973 -4.288 -10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.157 -3.413 -12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.608 -2.640 -12.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.951 -3.833 -13.722 1.00 0.00 H new ATOM 721 N ASN A 48 6.972 -3.592 -9.479 1.00 0.00 N ATOM 722 CA ASN A 48 6.452 -2.713 -8.435 1.00 0.00 C ATOM 723 C ASN A 48 4.950 -2.514 -8.607 1.00 0.00 C ATOM 724 O ASN A 48 4.500 -1.930 -9.594 1.00 0.00 O ATOM 725 CB ASN A 48 7.166 -1.360 -8.459 1.00 0.00 C ATOM 726 CG ASN A 48 7.342 -0.817 -9.865 1.00 0.00 C ATOM 727 OD1 ASN A 48 6.454 -0.157 -10.404 1.00 0.00 O ATOM 728 ND2 ASN A 48 8.493 -1.093 -10.466 1.00 0.00 N ATOM 0 H ASN A 48 6.652 -3.363 -10.420 1.00 0.00 H new ATOM 0 HA ASN A 48 6.638 -3.185 -7.470 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.598 -0.643 -7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.144 -1.461 -7.988 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.669 -0.754 -11.412 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.202 -1.644 -9.982 1.00 0.00 H new ATOM 735 N LYS A 49 4.177 -3.012 -7.647 1.00 0.00 N ATOM 736 CA LYS A 49 2.723 -2.898 -7.699 1.00 0.00 C ATOM 737 C LYS A 49 2.232 -1.693 -6.902 1.00 0.00 C ATOM 738 O LYS A 49 2.261 -1.695 -5.671 1.00 0.00 O ATOM 739 CB LYS A 49 2.070 -4.175 -7.164 1.00 0.00 C ATOM 740 CG LYS A 49 2.798 -5.450 -7.562 1.00 0.00 C ATOM 741 CD LYS A 49 1.827 -6.539 -7.991 1.00 0.00 C ATOM 742 CE LYS A 49 1.790 -6.691 -9.505 1.00 0.00 C ATOM 743 NZ LYS A 49 2.155 -8.070 -9.934 1.00 0.00 N ATOM 0 H LYS A 49 4.533 -3.498 -6.824 1.00 0.00 H new ATOM 0 HA LYS A 49 2.438 -2.757 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.022 -4.119 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.043 -4.226 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.489 -5.236 -8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.396 -5.805 -6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.118 -7.486 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.828 -6.302 -7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.792 -6.450 -9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.477 -5.976 -9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.118 -8.132 -10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.117 -8.292 -9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.485 -8.750 -9.522 1.00 0.00 H new ATOM 757 N HIS A 50 1.773 -0.669 -7.614 1.00 0.00 N ATOM 758 CA HIS A 50 1.264 0.541 -6.977 1.00 0.00 C ATOM 759 C HIS A 50 -0.256 0.597 -7.070 1.00 0.00 C ATOM 760 O HIS A 50 -0.841 0.184 -8.071 1.00 0.00 O ATOM 761 CB HIS A 50 1.874 1.788 -7.625 1.00 0.00 C ATOM 762 CG HIS A 50 2.003 1.692 -9.114 1.00 0.00 C ATOM 763 ND1 HIS A 50 3.184 1.933 -9.785 1.00 0.00 N ATOM 764 CD2 HIS A 50 1.091 1.376 -10.064 1.00 0.00 C ATOM 765 CE1 HIS A 50 2.992 1.771 -11.083 1.00 0.00 C ATOM 766 NE2 HIS A 50 1.731 1.433 -11.278 1.00 0.00 N ATOM 0 H HIS A 50 1.743 -0.653 -8.633 1.00 0.00 H new ATOM 0 HA HIS A 50 1.550 0.517 -5.925 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.258 2.653 -7.378 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.860 1.965 -7.195 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.054 1.126 -9.898 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.740 1.894 -11.853 1.00 0.00 H new ATOM 0 HE2 HIS A 50 1.301 1.245 -12.184 1.00 0.00 H new ATOM 775 N PHE A 51 -0.893 1.105 -6.021 1.00 0.00 N ATOM 776 CA PHE A 51 -2.347 1.207 -5.991 1.00 0.00 C ATOM 777 C PHE A 51 -2.794 2.514 -5.345 1.00 0.00 C ATOM 778 O PHE A 51 -2.112 3.054 -4.473 1.00 0.00 O ATOM 779 CB PHE A 51 -2.947 0.020 -5.235 1.00 0.00 C ATOM 780 CG PHE A 51 -2.482 -1.314 -5.748 1.00 0.00 C ATOM 781 CD1 PHE A 51 -2.626 -1.644 -7.086 1.00 0.00 C ATOM 782 CD2 PHE A 51 -1.902 -2.237 -4.892 1.00 0.00 C ATOM 783 CE1 PHE A 51 -2.199 -2.869 -7.561 1.00 0.00 C ATOM 784 CE2 PHE A 51 -1.474 -3.464 -5.362 1.00 0.00 C ATOM 785 CZ PHE A 51 -1.622 -3.781 -6.698 1.00 0.00 C ATOM 0 H PHE A 51 -0.427 1.452 -5.183 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.705 1.194 -7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.690 0.104 -4.179 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.034 0.068 -5.303 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.077 -0.936 -7.765 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.783 -1.995 -3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.316 -3.114 -8.606 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.024 -4.175 -4.685 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.288 -4.739 -7.067 1.00 0.00 H new ATOM 795 N LYS A 52 -3.946 3.015 -5.780 1.00 0.00 N ATOM 796 CA LYS A 52 -4.490 4.258 -5.246 1.00 0.00 C ATOM 797 C LYS A 52 -5.634 3.980 -4.277 1.00 0.00 C ATOM 798 O LYS A 52 -6.490 3.134 -4.534 1.00 0.00 O ATOM 799 CB LYS A 52 -4.978 5.158 -6.383 1.00 0.00 C ATOM 800 CG LYS A 52 -4.940 6.640 -6.044 1.00 0.00 C ATOM 801 CD LYS A 52 -5.543 7.482 -7.158 1.00 0.00 C ATOM 802 CE LYS A 52 -5.564 8.957 -6.792 1.00 0.00 C ATOM 803 NZ LYS A 52 -6.616 9.700 -7.539 1.00 0.00 N ATOM 0 H LYS A 52 -4.521 2.579 -6.501 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.694 4.769 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.364 4.980 -7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.999 4.879 -6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.486 6.816 -5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.909 6.948 -5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.968 7.341 -8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.558 7.142 -7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.736 9.063 -5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.589 9.397 -7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.597 10.702 -7.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.438 9.621 -8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.549 9.297 -7.318 1.00 0.00 H new ATOM 817 N VAL A 53 -5.641 4.702 -3.163 1.00 0.00 N ATOM 818 CA VAL A 53 -6.677 4.542 -2.149 1.00 0.00 C ATOM 819 C VAL A 53 -7.469 5.839 -1.983 1.00 0.00 C ATOM 820 O VAL A 53 -6.960 6.832 -1.461 1.00 0.00 O ATOM 821 CB VAL A 53 -6.050 4.129 -0.799 1.00 0.00 C ATOM 822 CG1 VAL A 53 -7.105 3.999 0.289 1.00 0.00 C ATOM 823 CG2 VAL A 53 -5.275 2.828 -0.953 1.00 0.00 C ATOM 0 H VAL A 53 -4.938 5.406 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.358 3.756 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.360 4.916 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.628 3.707 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.610 4.956 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.833 3.241 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.838 2.549 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.950 2.040 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.481 2.962 -1.688 1.00 0.00 H new ATOM 833 N GLN A 54 -8.716 5.820 -2.447 1.00 0.00 N ATOM 834 CA GLN A 54 -9.593 6.988 -2.373 1.00 0.00 C ATOM 835 C GLN A 54 -10.905 6.668 -1.662 1.00 0.00 C ATOM 836 O GLN A 54 -11.439 5.565 -1.779 1.00 0.00 O ATOM 837 CB GLN A 54 -9.883 7.520 -3.777 1.00 0.00 C ATOM 838 CG GLN A 54 -10.361 8.962 -3.794 1.00 0.00 C ATOM 839 CD GLN A 54 -11.370 9.229 -4.893 1.00 0.00 C ATOM 840 OE1 GLN A 54 -12.549 8.901 -4.762 1.00 0.00 O ATOM 841 NE2 GLN A 54 -10.911 9.827 -5.986 1.00 0.00 N ATOM 0 H GLN A 54 -9.145 5.003 -2.881 1.00 0.00 H new ATOM 0 HA GLN A 54 -9.074 7.751 -1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.980 7.438 -4.381 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.638 6.890 -4.246 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.807 9.204 -2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.504 9.623 -3.924 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.926 10.082 -6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.544 10.032 -6.759 1.00 0.00 H new ATOM 850 N LEU A 55 -11.422 7.653 -0.938 1.00 0.00 N ATOM 851 CA LEU A 55 -12.677 7.508 -0.217 1.00 0.00 C ATOM 852 C LEU A 55 -13.847 7.874 -1.138 1.00 0.00 C ATOM 853 O LEU A 55 -14.019 9.030 -1.519 1.00 0.00 O ATOM 854 CB LEU A 55 -12.624 8.374 1.060 1.00 0.00 C ATOM 855 CG LEU A 55 -13.850 9.237 1.400 1.00 0.00 C ATOM 856 CD1 LEU A 55 -13.882 10.484 0.532 1.00 0.00 C ATOM 857 CD2 LEU A 55 -15.143 8.442 1.273 1.00 0.00 C ATOM 0 H LEU A 55 -10.985 8.569 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.831 6.474 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.438 7.711 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.762 9.036 0.978 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.764 9.549 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.757 11.082 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.979 11.070 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.933 10.195 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.990 9.082 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.249 8.080 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.117 7.594 1.957 1.00 0.00 H new ATOM 869 N VAL A 56 -14.633 6.868 -1.517 1.00 0.00 N ATOM 870 CA VAL A 56 -15.769 7.075 -2.409 1.00 0.00 C ATOM 871 C VAL A 56 -17.106 6.877 -1.688 1.00 0.00 C ATOM 872 O VAL A 56 -17.279 5.919 -0.941 1.00 0.00 O ATOM 873 CB VAL A 56 -15.689 6.129 -3.627 1.00 0.00 C ATOM 874 CG1 VAL A 56 -16.889 5.199 -3.671 1.00 0.00 C ATOM 875 CG2 VAL A 56 -15.577 6.926 -4.919 1.00 0.00 C ATOM 0 H VAL A 56 -14.503 5.901 -1.219 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.719 8.108 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.793 5.518 -3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.809 4.543 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -16.917 4.598 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -17.803 5.788 -3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -15.522 6.241 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -16.451 7.568 -5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -14.677 7.541 -4.890 1.00 0.00 H new ATOM 885 N ASP A 57 -18.048 7.780 -1.951 1.00 0.00 N ATOM 886 CA ASP A 57 -19.393 7.733 -1.362 1.00 0.00 C ATOM 887 C ASP A 57 -19.394 7.141 0.049 1.00 0.00 C ATOM 888 O ASP A 57 -20.080 6.155 0.321 1.00 0.00 O ATOM 889 CB ASP A 57 -20.346 6.939 -2.262 1.00 0.00 C ATOM 890 CG ASP A 57 -19.849 5.536 -2.556 1.00 0.00 C ATOM 891 OD1 ASP A 57 -19.401 4.854 -1.613 1.00 0.00 O ATOM 892 OD2 ASP A 57 -19.912 5.120 -3.732 1.00 0.00 O ATOM 0 H ASP A 57 -17.904 8.570 -2.580 1.00 0.00 H new ATOM 0 HA ASP A 57 -19.739 8.764 -1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -21.324 6.880 -1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -20.482 7.475 -3.201 1.00 0.00 H new ATOM 897 N ASN A 58 -18.627 7.751 0.944 1.00 0.00 N ATOM 898 CA ASN A 58 -18.547 7.280 2.325 1.00 0.00 C ATOM 899 C ASN A 58 -17.983 5.864 2.378 1.00 0.00 C ATOM 900 O ASN A 58 -18.317 5.080 3.266 1.00 0.00 O ATOM 901 CB ASN A 58 -19.929 7.318 2.982 1.00 0.00 C ATOM 902 CG ASN A 58 -19.860 7.138 4.486 1.00 0.00 C ATOM 903 OD1 ASN A 58 -19.214 7.917 5.187 1.00 0.00 O ATOM 904 ND2 ASN A 58 -20.529 6.107 4.990 1.00 0.00 N ATOM 0 H ASN A 58 -18.053 8.570 0.742 1.00 0.00 H new ATOM 0 HA ASN A 58 -17.877 7.942 2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -20.410 8.269 2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -20.554 6.534 2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.520 5.936 5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -21.051 5.487 4.372 1.00 0.00 H new ATOM 911 N VAL A 59 -17.125 5.552 1.415 1.00 0.00 N ATOM 912 CA VAL A 59 -16.498 4.241 1.326 1.00 0.00 C ATOM 913 C VAL A 59 -15.007 4.392 1.052 1.00 0.00 C ATOM 914 O VAL A 59 -14.573 5.399 0.501 1.00 0.00 O ATOM 915 CB VAL A 59 -17.161 3.366 0.229 1.00 0.00 C ATOM 916 CG1 VAL A 59 -16.226 3.129 -0.952 1.00 0.00 C ATOM 917 CG2 VAL A 59 -17.625 2.041 0.815 1.00 0.00 C ATOM 0 H VAL A 59 -16.846 6.198 0.677 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.638 3.736 2.282 1.00 0.00 H new ATOM 0 HB VAL A 59 -18.028 3.911 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -16.729 2.512 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -15.953 4.086 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.326 2.619 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -18.088 1.439 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.769 1.506 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.351 2.227 1.606 1.00 0.00 H new ATOM 927 N TYR A 60 -14.226 3.397 1.440 1.00 0.00 N ATOM 928 CA TYR A 60 -12.786 3.444 1.232 1.00 0.00 C ATOM 929 C TYR A 60 -12.361 2.464 0.141 1.00 0.00 C ATOM 930 O TYR A 60 -12.390 1.249 0.335 1.00 0.00 O ATOM 931 CB TYR A 60 -12.066 3.147 2.547 1.00 0.00 C ATOM 932 CG TYR A 60 -12.473 4.076 3.675 1.00 0.00 C ATOM 933 CD1 TYR A 60 -12.924 5.366 3.416 1.00 0.00 C ATOM 934 CD2 TYR A 60 -12.406 3.662 4.999 1.00 0.00 C ATOM 935 CE1 TYR A 60 -13.295 6.213 4.443 1.00 0.00 C ATOM 936 CE2 TYR A 60 -12.776 4.504 6.032 1.00 0.00 C ATOM 937 CZ TYR A 60 -13.219 5.778 5.748 1.00 0.00 C ATOM 938 OH TYR A 60 -13.588 6.619 6.773 1.00 0.00 O ATOM 0 H TYR A 60 -14.562 2.550 1.899 1.00 0.00 H new ATOM 0 HA TYR A 60 -12.510 4.445 0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.271 2.118 2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.990 3.226 2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.985 5.712 2.395 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.059 2.665 5.226 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.643 7.212 4.224 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.718 4.165 7.056 1.00 0.00 H new ATOM 0 HH TYR A 60 -13.476 6.158 7.631 1.00 0.00 H new ATOM 948 N CYS A 61 -11.986 3.009 -1.014 1.00 0.00 N ATOM 949 CA CYS A 61 -11.574 2.194 -2.153 1.00 0.00 C ATOM 950 C CYS A 61 -10.056 2.015 -2.201 1.00 0.00 C ATOM 951 O CYS A 61 -9.302 2.880 -1.758 1.00 0.00 O ATOM 952 CB CYS A 61 -12.091 2.824 -3.457 1.00 0.00 C ATOM 953 SG CYS A 61 -10.986 4.037 -4.223 1.00 0.00 S ATOM 0 H CYS A 61 -11.959 4.014 -1.185 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.010 1.202 -2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.282 2.027 -4.175 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.047 3.306 -3.254 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.907 5.091 -3.466 1.00 0.00 H new ATOM 959 N ILE A 62 -9.623 0.886 -2.756 1.00 0.00 N ATOM 960 CA ILE A 62 -8.197 0.580 -2.881 1.00 0.00 C ATOM 961 C ILE A 62 -7.907 -0.054 -4.238 1.00 0.00 C ATOM 962 O ILE A 62 -8.320 -1.181 -4.506 1.00 0.00 O ATOM 963 CB ILE A 62 -7.706 -0.378 -1.769 1.00 0.00 C ATOM 964 CG1 ILE A 62 -8.463 -0.121 -0.462 1.00 0.00 C ATOM 965 CG2 ILE A 62 -6.198 -0.234 -1.557 1.00 0.00 C ATOM 966 CD1 ILE A 62 -8.089 1.181 0.206 1.00 0.00 C ATOM 0 H ILE A 62 -10.240 0.164 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.663 1.525 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.909 -1.401 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.534 -0.121 -0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -8.270 -0.943 0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.874 -0.916 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.676 -0.473 -2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.968 0.791 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.664 1.297 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.025 1.177 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.308 2.011 -0.466 1.00 0.00 H new ATOM 978 N GLY A 63 -7.199 0.678 -5.091 1.00 0.00 N ATOM 979 CA GLY A 63 -6.873 0.167 -6.410 1.00 0.00 C ATOM 980 C GLY A 63 -8.046 0.246 -7.368 1.00 0.00 C ATOM 981 O GLY A 63 -8.259 1.271 -8.014 1.00 0.00 O ATOM 0 H GLY A 63 -6.845 1.614 -4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.035 0.732 -6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.547 -0.869 -6.324 1.00 0.00 H new ATOM 985 N GLN A 64 -8.810 -0.838 -7.459 1.00 0.00 N ATOM 986 CA GLN A 64 -9.969 -0.887 -8.345 1.00 0.00 C ATOM 987 C GLN A 64 -11.133 -1.616 -7.679 1.00 0.00 C ATOM 988 O GLN A 64 -11.801 -2.442 -8.301 1.00 0.00 O ATOM 989 CB GLN A 64 -9.602 -1.577 -9.660 1.00 0.00 C ATOM 990 CG GLN A 64 -8.320 -1.052 -10.283 1.00 0.00 C ATOM 991 CD GLN A 64 -8.476 0.350 -10.839 1.00 0.00 C ATOM 992 OE1 GLN A 64 -7.753 1.268 -10.450 1.00 0.00 O ATOM 993 NE2 GLN A 64 -9.423 0.522 -11.753 1.00 0.00 N ATOM 0 H GLN A 64 -8.648 -1.695 -6.930 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.279 0.137 -8.555 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.499 -2.648 -9.483 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.420 -1.449 -10.369 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.528 -1.056 -9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.007 -1.724 -11.082 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.999 -0.267 -12.046 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.575 1.444 -12.163 1.00 0.00 H new ATOM 1002 N ARG A 65 -11.366 -1.303 -6.409 1.00 0.00 N ATOM 1003 CA ARG A 65 -12.446 -1.924 -5.649 1.00 0.00 C ATOM 1004 C ARG A 65 -12.817 -1.065 -4.445 1.00 0.00 C ATOM 1005 O ARG A 65 -12.089 -0.141 -4.086 1.00 0.00 O ATOM 1006 CB ARG A 65 -12.038 -3.325 -5.189 1.00 0.00 C ATOM 1007 CG ARG A 65 -12.659 -4.441 -6.014 1.00 0.00 C ATOM 1008 CD ARG A 65 -14.084 -4.737 -5.572 1.00 0.00 C ATOM 1009 NE ARG A 65 -15.021 -4.708 -6.693 1.00 0.00 N ATOM 1010 CZ ARG A 65 -16.339 -4.582 -6.554 1.00 0.00 C ATOM 1011 NH1 ARG A 65 -16.879 -4.471 -5.346 1.00 0.00 N ATOM 1012 NH2 ARG A 65 -17.120 -4.565 -7.626 1.00 0.00 N ATOM 0 H ARG A 65 -10.820 -0.621 -5.883 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.317 -2.008 -6.299 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.952 -3.412 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -12.324 -3.453 -4.145 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.655 -4.161 -7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -12.054 -5.343 -5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -14.120 -5.716 -5.095 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -14.391 -4.006 -4.824 1.00 0.00 H new ATOM 0 HE ARG A 65 -14.643 -4.789 -7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -16.283 -4.482 -4.518 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -17.890 -4.375 -5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -16.711 -4.648 -8.557 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.130 -4.468 -7.520 1.00 0.00 H new ATOM 1026 N ARG A 66 -13.956 -1.368 -3.829 1.00 0.00 N ATOM 1027 CA ARG A 66 -14.421 -0.614 -2.677 1.00 0.00 C ATOM 1028 C ARG A 66 -14.482 -1.495 -1.435 1.00 0.00 C ATOM 1029 O ARG A 66 -14.999 -2.611 -1.471 1.00 0.00 O ATOM 1030 CB ARG A 66 -15.796 -0.021 -2.972 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.927 0.553 -4.376 1.00 0.00 C ATOM 1032 CD ARG A 66 -14.783 1.501 -4.710 1.00 0.00 C ATOM 1033 NE ARG A 66 -14.526 1.561 -6.147 1.00 0.00 N ATOM 1034 CZ ARG A 66 -15.299 2.214 -7.012 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -16.375 2.866 -6.589 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -14.994 2.216 -8.302 1.00 0.00 N ATOM 0 H ARG A 66 -14.572 -2.131 -4.111 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.714 0.192 -2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.552 -0.793 -2.833 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.006 0.765 -2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.948 -0.261 -5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.875 1.083 -4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.020 2.499 -4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.880 1.176 -4.193 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.706 1.074 -6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.613 2.868 -5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.964 3.365 -7.256 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.167 1.717 -8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.586 2.716 -8.965 1.00 0.00 H new ATOM 1050 N PHE A 67 -13.928 -0.983 -0.342 1.00 0.00 N ATOM 1051 CA PHE A 67 -13.886 -1.707 0.919 1.00 0.00 C ATOM 1052 C PHE A 67 -14.255 -0.795 2.085 1.00 0.00 C ATOM 1053 O PHE A 67 -14.194 0.429 1.970 1.00 0.00 O ATOM 1054 CB PHE A 67 -12.500 -2.307 1.128 1.00 0.00 C ATOM 1055 CG PHE A 67 -11.990 -3.050 -0.074 1.00 0.00 C ATOM 1056 CD1 PHE A 67 -12.640 -4.185 -0.531 1.00 0.00 C ATOM 1057 CD2 PHE A 67 -10.866 -2.609 -0.751 1.00 0.00 C ATOM 1058 CE1 PHE A 67 -12.175 -4.867 -1.640 1.00 0.00 C ATOM 1059 CE2 PHE A 67 -10.396 -3.285 -1.861 1.00 0.00 C ATOM 1060 CZ PHE A 67 -11.052 -4.417 -2.305 1.00 0.00 C ATOM 0 H PHE A 67 -13.498 -0.059 -0.307 1.00 0.00 H new ATOM 0 HA PHE A 67 -14.619 -2.513 0.879 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -11.800 -1.510 1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -12.529 -2.985 1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -13.520 -4.541 -0.015 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -10.350 -1.725 -0.407 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -12.690 -5.751 -1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.518 -2.929 -2.380 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.687 -4.949 -3.171 1.00 0.00 H new ATOM 1070 N HIS A 68 -14.650 -1.398 3.204 1.00 0.00 N ATOM 1071 CA HIS A 68 -15.043 -0.639 4.389 1.00 0.00 C ATOM 1072 C HIS A 68 -13.833 -0.104 5.157 1.00 0.00 C ATOM 1073 O HIS A 68 -13.973 0.389 6.276 1.00 0.00 O ATOM 1074 CB HIS A 68 -15.891 -1.513 5.311 1.00 0.00 C ATOM 1075 CG HIS A 68 -15.232 -2.804 5.685 1.00 0.00 C ATOM 1076 ND1 HIS A 68 -14.417 -2.941 6.790 1.00 0.00 N ATOM 1077 CD2 HIS A 68 -15.270 -4.022 5.095 1.00 0.00 C ATOM 1078 CE1 HIS A 68 -13.982 -4.187 6.862 1.00 0.00 C ATOM 1079 NE2 HIS A 68 -14.486 -4.864 5.845 1.00 0.00 N ATOM 0 H HIS A 68 -14.706 -2.410 3.315 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.626 0.217 4.049 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -16.119 -0.955 6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -16.841 -1.728 4.822 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -15.816 -4.283 4.200 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -13.326 -4.584 7.623 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.320 -5.851 5.649 1.00 0.00 H new ATOM 1088 N THR A 69 -12.650 -0.203 4.560 1.00 0.00 N ATOM 1089 CA THR A 69 -11.432 0.272 5.201 1.00 0.00 C ATOM 1090 C THR A 69 -10.539 0.993 4.187 1.00 0.00 C ATOM 1091 O THR A 69 -10.645 0.763 2.983 1.00 0.00 O ATOM 1092 CB THR A 69 -10.708 -0.912 5.852 1.00 0.00 C ATOM 1093 OG1 THR A 69 -11.050 -1.008 7.223 1.00 0.00 O ATOM 1094 CG2 THR A 69 -9.198 -0.845 5.767 1.00 0.00 C ATOM 0 H THR A 69 -12.510 -0.608 3.634 1.00 0.00 H new ATOM 0 HA THR A 69 -11.683 0.993 5.979 1.00 0.00 H new ATOM 0 HB THR A 69 -11.038 -1.783 5.285 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.581 -1.769 7.624 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.767 -1.721 6.252 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.893 -0.823 4.721 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.845 0.057 6.267 1.00 0.00 H new ATOM 1102 N MET A 70 -9.668 1.874 4.680 1.00 0.00 N ATOM 1103 CA MET A 70 -8.775 2.635 3.807 1.00 0.00 C ATOM 1104 C MET A 70 -7.307 2.399 4.161 1.00 0.00 C ATOM 1105 O MET A 70 -6.610 1.649 3.480 1.00 0.00 O ATOM 1106 CB MET A 70 -9.101 4.131 3.894 1.00 0.00 C ATOM 1107 CG MET A 70 -8.928 4.871 2.579 1.00 0.00 C ATOM 1108 SD MET A 70 -10.079 6.246 2.392 1.00 0.00 S ATOM 1109 CE MET A 70 -10.003 6.983 4.023 1.00 0.00 C ATOM 0 H MET A 70 -9.562 2.077 5.674 1.00 0.00 H new ATOM 0 HA MET A 70 -8.933 2.288 2.786 1.00 0.00 H new ATOM 0 HB2 MET A 70 -10.129 4.250 4.235 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.460 4.590 4.646 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.907 5.246 2.511 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.067 4.173 1.754 1.00 0.00 H new ATOM 0 HE1 MET A 70 -10.520 7.942 4.013 1.00 0.00 H new ATOM 0 HE2 MET A 70 -10.481 6.320 4.744 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.961 7.135 4.305 1.00 0.00 H new ATOM 1119 N ASP A 71 -6.843 3.043 5.228 1.00 0.00 N ATOM 1120 CA ASP A 71 -5.459 2.902 5.668 1.00 0.00 C ATOM 1121 C ASP A 71 -5.353 1.912 6.822 1.00 0.00 C ATOM 1122 O ASP A 71 -4.298 1.779 7.442 1.00 0.00 O ATOM 1123 CB ASP A 71 -4.902 4.258 6.095 1.00 0.00 C ATOM 1124 CG ASP A 71 -4.177 4.966 4.967 1.00 0.00 C ATOM 1125 OD1 ASP A 71 -4.570 4.777 3.797 1.00 0.00 O ATOM 1126 OD2 ASP A 71 -3.215 5.710 5.255 1.00 0.00 O ATOM 0 H ASP A 71 -7.406 3.668 5.804 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.874 2.521 4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.718 4.887 6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.218 4.120 6.932 1.00 0.00 H new ATOM 1131 N GLU A 72 -6.446 1.210 7.095 1.00 0.00 N ATOM 1132 CA GLU A 72 -6.466 0.222 8.164 1.00 0.00 C ATOM 1133 C GLU A 72 -6.268 -1.175 7.591 1.00 0.00 C ATOM 1134 O GLU A 72 -5.917 -2.109 8.311 1.00 0.00 O ATOM 1135 CB GLU A 72 -7.786 0.290 8.938 1.00 0.00 C ATOM 1136 CG GLU A 72 -7.914 1.522 9.821 1.00 0.00 C ATOM 1137 CD GLU A 72 -8.975 2.487 9.329 1.00 0.00 C ATOM 1138 OE1 GLU A 72 -10.078 2.023 8.970 1.00 0.00 O ATOM 1139 OE2 GLU A 72 -8.703 3.705 9.302 1.00 0.00 O ATOM 0 H GLU A 72 -7.328 1.307 6.592 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.650 0.443 8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.614 0.274 8.229 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.880 -0.602 9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.154 1.212 10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.953 2.035 9.863 1.00 0.00 H new ATOM 1146 N LEU A 73 -6.492 -1.309 6.285 1.00 0.00 N ATOM 1147 CA LEU A 73 -6.332 -2.591 5.618 1.00 0.00 C ATOM 1148 C LEU A 73 -4.874 -2.996 5.535 1.00 0.00 C ATOM 1149 O LEU A 73 -4.560 -4.145 5.254 1.00 0.00 O ATOM 1150 CB LEU A 73 -6.953 -2.571 4.211 1.00 0.00 C ATOM 1151 CG LEU A 73 -6.583 -1.381 3.295 1.00 0.00 C ATOM 1152 CD1 LEU A 73 -5.287 -0.704 3.711 1.00 0.00 C ATOM 1153 CD2 LEU A 73 -6.461 -1.841 1.853 1.00 0.00 C ATOM 0 H LEU A 73 -6.783 -0.546 5.673 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.860 -3.330 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.667 -3.491 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.037 -2.590 4.319 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.388 -0.653 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.075 0.124 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.385 -0.325 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.470 -1.425 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.200 -0.992 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.684 -2.601 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.412 -2.260 1.523 1.00 0.00 H new ATOM 1165 N VAL A 74 -3.985 -2.062 5.800 1.00 0.00 N ATOM 1166 CA VAL A 74 -2.565 -2.359 5.770 1.00 0.00 C ATOM 1167 C VAL A 74 -2.150 -3.013 7.079 1.00 0.00 C ATOM 1168 O VAL A 74 -1.040 -3.527 7.213 1.00 0.00 O ATOM 1169 CB VAL A 74 -1.704 -1.099 5.551 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -0.616 -1.370 4.523 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -2.541 0.098 5.124 1.00 0.00 C ATOM 0 H VAL A 74 -4.216 -1.097 6.037 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.397 -3.032 4.929 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.242 -0.854 6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.018 -0.470 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.024 -2.179 4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.073 -1.655 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.893 0.963 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.052 -0.131 4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.278 0.320 5.896 1.00 0.00 H new ATOM 1181 N GLU A 75 -3.057 -2.981 8.043 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.804 -3.563 9.355 1.00 0.00 C ATOM 1183 C GLU A 75 -3.129 -5.054 9.365 1.00 0.00 C ATOM 1184 O GLU A 75 -2.511 -5.826 10.098 1.00 0.00 O ATOM 1185 CB GLU A 75 -3.625 -2.841 10.425 1.00 0.00 C ATOM 1186 CG GLU A 75 -3.305 -1.359 10.543 1.00 0.00 C ATOM 1187 CD GLU A 75 -2.062 -1.095 11.371 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -1.852 -1.812 12.372 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -1.300 -0.170 11.019 1.00 0.00 O ATOM 0 H GLU A 75 -3.979 -2.557 7.942 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.744 -3.442 9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.685 -2.958 10.198 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.451 -3.319 11.389 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.169 -0.940 9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.153 -0.843 10.993 1.00 0.00 H new ATOM 1196 N HIS A 76 -4.103 -5.455 8.552 1.00 0.00 N ATOM 1197 CA HIS A 76 -4.502 -6.857 8.480 1.00 0.00 C ATOM 1198 C HIS A 76 -4.762 -7.297 7.039 1.00 0.00 C ATOM 1199 O HIS A 76 -5.331 -8.364 6.809 1.00 0.00 O ATOM 1200 CB HIS A 76 -5.758 -7.088 9.323 1.00 0.00 C ATOM 1201 CG HIS A 76 -5.466 -7.453 10.745 1.00 0.00 C ATOM 1202 ND1 HIS A 76 -4.732 -6.819 11.690 1.00 0.00 N flip ATOM 1203 CD2 HIS A 76 -5.955 -8.595 11.345 1.00 0.00 C flip ATOM 1204 CE1 HIS A 76 -4.791 -7.582 12.830 1.00 0.00 C flip ATOM 1205 NE2 HIS A 76 -5.535 -8.647 12.596 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.628 -4.833 7.937 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.680 -7.455 8.872 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.368 -6.185 9.306 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.351 -7.881 8.867 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -4.229 -5.939 11.576 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.583 -9.332 10.866 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.307 -7.349 13.767 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.338 -6.475 6.075 1.00 0.00 N ATOM 1215 CA TYR A 77 -4.519 -6.773 4.655 1.00 0.00 C ATOM 1216 C TYR A 77 -5.832 -7.514 4.386 1.00 0.00 C ATOM 1217 O TYR A 77 -5.846 -8.556 3.731 1.00 0.00 O ATOM 1218 CB TYR A 77 -3.325 -7.570 4.121 1.00 0.00 C ATOM 1219 CG TYR A 77 -2.506 -8.252 5.195 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -2.967 -9.404 5.819 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -1.275 -7.740 5.588 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -2.224 -10.028 6.804 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -0.527 -8.358 6.572 1.00 0.00 C ATOM 1224 CZ TYR A 77 -1.006 -9.501 7.176 1.00 0.00 C ATOM 1225 OH TYR A 77 -0.265 -10.119 8.158 1.00 0.00 O ATOM 0 H TYR A 77 -3.863 -5.591 6.257 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.574 -5.822 4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.688 -8.324 3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.677 -6.899 3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.921 -9.819 5.530 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.897 -6.845 5.117 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.596 -10.924 7.279 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.428 -7.948 6.866 1.00 0.00 H new ATOM 0 HH TYR A 77 0.568 -9.622 8.301 1.00 0.00 H new ATOM 1235 N LYS A 78 -6.936 -6.954 4.884 1.00 0.00 N ATOM 1236 CA LYS A 78 -8.252 -7.529 4.688 1.00 0.00 C ATOM 1237 C LYS A 78 -8.577 -7.552 3.192 1.00 0.00 C ATOM 1238 O LYS A 78 -7.786 -8.067 2.402 1.00 0.00 O ATOM 1239 CB LYS A 78 -9.266 -6.697 5.464 1.00 0.00 C ATOM 1240 CG LYS A 78 -9.139 -5.209 5.201 1.00 0.00 C ATOM 1241 CD LYS A 78 -10.498 -4.551 5.002 1.00 0.00 C ATOM 1242 CE LYS A 78 -10.737 -4.188 3.542 1.00 0.00 C ATOM 1243 NZ LYS A 78 -10.623 -2.725 3.301 1.00 0.00 N ATOM 0 H LYS A 78 -6.935 -6.093 5.431 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.286 -8.555 5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.272 -7.022 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.140 -6.884 6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.625 -4.735 6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.524 -5.048 4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.283 -5.226 5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.561 -3.653 5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.017 -4.715 2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.728 -4.528 3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.337 -2.557 2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.542 -2.272 3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.910 -2.322 3.942 1.00 0.00 H new ATOM 1257 N LYS A 79 -9.706 -6.966 2.780 1.00 0.00 N ATOM 1258 CA LYS A 79 -10.032 -6.919 1.362 1.00 0.00 C ATOM 1259 C LYS A 79 -9.148 -5.868 0.698 1.00 0.00 C ATOM 1260 O LYS A 79 -9.621 -4.849 0.199 1.00 0.00 O ATOM 1261 CB LYS A 79 -11.510 -6.586 1.157 1.00 0.00 C ATOM 1262 CG LYS A 79 -12.453 -7.607 1.774 1.00 0.00 C ATOM 1263 CD LYS A 79 -13.511 -8.068 0.780 1.00 0.00 C ATOM 1264 CE LYS A 79 -14.913 -7.928 1.350 1.00 0.00 C ATOM 1265 NZ LYS A 79 -15.363 -6.509 1.374 1.00 0.00 N ATOM 0 H LYS A 79 -10.391 -6.529 3.396 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.850 -7.894 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.717 -5.606 1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.713 -6.514 0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.881 -8.467 2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.939 -7.173 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.430 -7.483 -0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.329 -9.108 0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.608 -8.519 0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.936 -8.333 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.323 -6.456 1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.714 -5.949 1.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.366 -6.129 0.406 1.00 0.00 H new ATOM 1279 N ALA A 80 -7.850 -6.140 0.725 1.00 0.00 N ATOM 1280 CA ALA A 80 -6.830 -5.265 0.166 1.00 0.00 C ATOM 1281 C ALA A 80 -6.310 -5.814 -1.152 1.00 0.00 C ATOM 1282 O ALA A 80 -6.374 -7.020 -1.388 1.00 0.00 O ATOM 1283 CB ALA A 80 -5.687 -5.090 1.155 1.00 0.00 C ATOM 0 H ALA A 80 -7.471 -6.989 1.143 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.281 -4.291 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.931 -4.433 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.068 -4.650 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.243 -6.061 1.373 1.00 0.00 H new ATOM 1289 N PRO A 81 -5.771 -4.948 -2.030 1.00 0.00 N ATOM 1290 CA PRO A 81 -5.214 -5.372 -3.323 1.00 0.00 C ATOM 1291 C PRO A 81 -4.154 -6.468 -3.174 1.00 0.00 C ATOM 1292 O PRO A 81 -3.446 -6.789 -4.129 1.00 0.00 O ATOM 1293 CB PRO A 81 -4.568 -4.096 -3.881 1.00 0.00 C ATOM 1294 CG PRO A 81 -4.449 -3.182 -2.711 1.00 0.00 C ATOM 1295 CD PRO A 81 -5.622 -3.502 -1.830 1.00 0.00 C ATOM 0 HA PRO A 81 -5.984 -5.796 -3.967 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.592 -4.306 -4.319 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.181 -3.654 -4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.508 -3.340 -2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.467 -2.138 -3.025 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.428 -3.253 -0.787 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.517 -2.955 -2.128 1.00 0.00 H new ATOM 1303 N ILE A 82 -4.059 -7.047 -1.979 1.00 0.00 N ATOM 1304 CA ILE A 82 -3.116 -8.098 -1.706 1.00 0.00 C ATOM 1305 C ILE A 82 -3.389 -9.282 -2.621 1.00 0.00 C ATOM 1306 O ILE A 82 -4.541 -9.655 -2.844 1.00 0.00 O ATOM 1307 CB ILE A 82 -3.224 -8.585 -0.248 1.00 0.00 C ATOM 1308 CG1 ILE A 82 -3.140 -7.447 0.782 1.00 0.00 C ATOM 1309 CG2 ILE A 82 -2.167 -9.640 0.019 1.00 0.00 C ATOM 1310 CD1 ILE A 82 -2.236 -6.295 0.419 1.00 0.00 C ATOM 0 H ILE A 82 -4.640 -6.791 -1.180 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.117 -7.697 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.216 -9.021 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.145 -7.057 0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.801 -7.865 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.247 -9.982 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.316 -10.483 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.178 -9.214 -0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.255 -5.553 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.217 -6.660 0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.582 -5.839 -0.509 1.00 0.00 H new ATOM 1322 N PHE A 83 -2.330 -9.856 -3.158 1.00 0.00 N ATOM 1323 CA PHE A 83 -2.481 -11.007 -4.080 1.00 0.00 C ATOM 1324 C PHE A 83 -1.367 -12.050 -3.919 1.00 0.00 C ATOM 1325 O PHE A 83 -0.200 -11.702 -3.776 1.00 0.00 O ATOM 1326 CB PHE A 83 -2.557 -10.512 -5.531 1.00 0.00 C ATOM 1327 CG PHE A 83 -2.389 -11.592 -6.566 1.00 0.00 C ATOM 1328 CD1 PHE A 83 -1.126 -11.962 -7.002 1.00 0.00 C ATOM 1329 CD2 PHE A 83 -3.493 -12.230 -7.108 1.00 0.00 C ATOM 1330 CE1 PHE A 83 -0.968 -12.947 -7.957 1.00 0.00 C ATOM 1331 CE2 PHE A 83 -3.341 -13.216 -8.065 1.00 0.00 C ATOM 1332 CZ PHE A 83 -2.077 -13.575 -8.490 1.00 0.00 C ATOM 0 H PHE A 83 -1.367 -9.565 -2.988 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.413 -11.509 -3.819 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.519 -10.024 -5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.788 -9.755 -5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.255 -11.474 -6.590 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.484 -11.954 -6.779 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.022 -13.226 -8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.210 -13.705 -8.480 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.956 -14.345 -9.237 1.00 0.00 H new ATOM 1342 N THR A 84 -1.731 -13.335 -3.951 1.00 0.00 N ATOM 1343 CA THR A 84 -0.741 -14.405 -3.799 1.00 0.00 C ATOM 1344 C THR A 84 -0.192 -14.916 -5.121 1.00 0.00 C ATOM 1345 O THR A 84 -0.879 -14.940 -6.142 1.00 0.00 O ATOM 1346 CB THR A 84 -1.302 -15.595 -3.028 1.00 0.00 C ATOM 1347 OG1 THR A 84 -2.324 -15.196 -2.138 1.00 0.00 O ATOM 1348 CG2 THR A 84 -0.233 -16.319 -2.233 1.00 0.00 C ATOM 0 H THR A 84 -2.690 -13.657 -4.079 1.00 0.00 H new ATOM 0 HA THR A 84 0.073 -13.944 -3.240 1.00 0.00 H new ATOM 0 HB THR A 84 -1.707 -16.273 -3.779 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.190 -15.235 -2.595 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.681 -17.158 -1.701 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.537 -16.688 -2.911 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.214 -15.632 -1.515 1.00 0.00 H new ATOM 1356 N SER A 85 1.059 -15.362 -5.062 1.00 0.00 N ATOM 1357 CA SER A 85 1.752 -15.925 -6.208 1.00 0.00 C ATOM 1358 C SER A 85 2.064 -17.394 -5.938 1.00 0.00 C ATOM 1359 O SER A 85 2.272 -17.777 -4.783 1.00 0.00 O ATOM 1360 CB SER A 85 3.050 -15.162 -6.458 1.00 0.00 C ATOM 1361 OG SER A 85 3.900 -15.872 -7.342 1.00 0.00 O ATOM 0 H SER A 85 1.621 -15.341 -4.211 1.00 0.00 H new ATOM 0 HA SER A 85 1.117 -15.842 -7.090 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.824 -14.181 -6.876 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.564 -14.994 -5.512 1.00 0.00 H new ATOM 0 HG SER A 85 4.723 -15.360 -7.486 1.00 0.00 H new ATOM 1367 N GLU A 86 2.098 -18.210 -6.997 1.00 0.00 N ATOM 1368 CA GLU A 86 2.387 -19.645 -6.869 1.00 0.00 C ATOM 1369 C GLU A 86 3.320 -19.920 -5.691 1.00 0.00 C ATOM 1370 O GLU A 86 2.951 -20.607 -4.738 1.00 0.00 O ATOM 1371 CB GLU A 86 3.010 -20.177 -8.162 1.00 0.00 C ATOM 1372 CG GLU A 86 3.376 -21.651 -8.103 1.00 0.00 C ATOM 1373 CD GLU A 86 2.214 -22.526 -7.675 1.00 0.00 C ATOM 1374 OE1 GLU A 86 1.122 -22.395 -8.268 1.00 0.00 O ATOM 1375 OE2 GLU A 86 2.396 -23.342 -6.747 1.00 0.00 O ATOM 0 H GLU A 86 1.929 -17.902 -7.954 1.00 0.00 H new ATOM 0 HA GLU A 86 1.444 -20.160 -6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.312 -20.018 -8.984 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.906 -19.598 -8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.726 -21.974 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.204 -21.788 -7.408 1.00 0.00 H new ATOM 1382 N HIS A 87 4.518 -19.356 -5.757 1.00 0.00 N ATOM 1383 CA HIS A 87 5.500 -19.510 -4.692 1.00 0.00 C ATOM 1384 C HIS A 87 5.990 -18.140 -4.237 1.00 0.00 C ATOM 1385 O HIS A 87 7.097 -18.001 -3.715 1.00 0.00 O ATOM 1386 CB HIS A 87 6.676 -20.369 -5.162 1.00 0.00 C ATOM 1387 CG HIS A 87 6.617 -21.781 -4.665 1.00 0.00 C ATOM 1388 ND1 HIS A 87 6.397 -22.104 -3.342 1.00 0.00 N ATOM 1389 CD2 HIS A 87 6.745 -22.958 -5.321 1.00 0.00 C ATOM 1390 CE1 HIS A 87 6.394 -23.418 -3.206 1.00 0.00 C ATOM 1391 NE2 HIS A 87 6.602 -23.960 -4.392 1.00 0.00 N ATOM 0 H HIS A 87 4.835 -18.785 -6.541 1.00 0.00 H new ATOM 0 HA HIS A 87 5.027 -20.014 -3.850 1.00 0.00 H new ATOM 0 HB2 HIS A 87 6.699 -20.376 -6.252 1.00 0.00 H new ATOM 0 HB3 HIS A 87 7.607 -19.912 -4.827 1.00 0.00 H new ATOM 0 HD2 HIS A 87 6.926 -23.086 -6.378 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.247 -23.957 -2.282 1.00 0.00 H new ATOM 0 HE2 HIS A 87 6.649 -24.960 -4.587 1.00 0.00 H new ATOM 1400 N GLY A 88 5.149 -17.129 -4.447 1.00 0.00 N ATOM 1401 CA GLY A 88 5.491 -15.774 -4.065 1.00 0.00 C ATOM 1402 C GLY A 88 4.700 -15.287 -2.875 1.00 0.00 C ATOM 1403 O GLY A 88 5.036 -14.264 -2.278 1.00 0.00 O ATOM 0 H GLY A 88 4.230 -17.229 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.555 -15.724 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.316 -15.108 -4.910 1.00 0.00 H new ATOM 1407 N GLU A 89 3.643 -16.013 -2.535 1.00 0.00 N ATOM 1408 CA GLU A 89 2.795 -15.650 -1.411 1.00 0.00 C ATOM 1409 C GLU A 89 1.978 -14.407 -1.720 1.00 0.00 C ATOM 1410 O GLU A 89 2.032 -13.870 -2.826 1.00 0.00 O ATOM 1411 CB GLU A 89 3.623 -15.442 -0.141 1.00 0.00 C ATOM 1412 CG GLU A 89 3.784 -16.712 0.667 1.00 0.00 C ATOM 1413 CD GLU A 89 5.199 -16.912 1.172 1.00 0.00 C ATOM 1414 OE1 GLU A 89 6.147 -16.618 0.414 1.00 0.00 O ATOM 1415 OE2 GLU A 89 5.360 -17.363 2.325 1.00 0.00 O ATOM 0 H GLU A 89 3.353 -16.860 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 89 2.106 -16.477 -1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.608 -15.062 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.147 -14.681 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.101 -16.686 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.498 -17.566 0.053 1.00 0.00 H new ATOM 1422 N LYS A 90 1.205 -13.978 -0.735 1.00 0.00 N ATOM 1423 CA LYS A 90 0.330 -12.820 -0.877 1.00 0.00 C ATOM 1424 C LYS A 90 1.086 -11.498 -0.850 1.00 0.00 C ATOM 1425 O LYS A 90 1.943 -11.276 0.006 1.00 0.00 O ATOM 1426 CB LYS A 90 -0.691 -12.809 0.266 1.00 0.00 C ATOM 1427 CG LYS A 90 -2.042 -13.398 -0.096 1.00 0.00 C ATOM 1428 CD LYS A 90 -2.228 -14.776 0.521 1.00 0.00 C ATOM 1429 CE LYS A 90 -3.647 -15.291 0.338 1.00 0.00 C ATOM 1430 NZ LYS A 90 -4.632 -14.510 1.137 1.00 0.00 N ATOM 0 H LYS A 90 1.165 -14.420 0.184 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.156 -12.911 -1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.280 -13.364 1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.834 -11.781 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.835 -12.733 0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.132 -13.468 -1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.526 -15.475 0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.991 -14.733 1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.917 -15.243 -0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.693 -16.340 0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.539 -15.018 1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.276 -14.390 2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.770 -13.576 0.701 1.00 0.00 H new ATOM 1444 N LEU A 91 0.690 -10.588 -1.737 1.00 0.00 N ATOM 1445 CA LEU A 91 1.252 -9.253 -1.750 1.00 0.00 C ATOM 1446 C LEU A 91 0.611 -8.573 -0.581 1.00 0.00 C ATOM 1447 O LEU A 91 -0.491 -8.043 -0.719 1.00 0.00 O ATOM 1448 CB LEU A 91 0.896 -8.500 -3.028 1.00 0.00 C ATOM 1449 CG LEU A 91 1.304 -9.188 -4.316 1.00 0.00 C ATOM 1450 CD1 LEU A 91 0.339 -8.810 -5.420 1.00 0.00 C ATOM 1451 CD2 LEU A 91 2.728 -8.812 -4.680 1.00 0.00 C ATOM 0 H LEU A 91 -0.017 -10.757 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 91 2.341 -9.280 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.182 -8.337 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.366 -7.517 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 91 1.267 -10.269 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.633 -9.305 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.668 -9.123 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.357 -7.730 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.011 -9.312 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.796 -7.732 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.402 -9.121 -3.881 1.00 0.00 H new ATOM 1463 N TYR A 92 1.266 -8.685 0.569 1.00 0.00 N ATOM 1464 CA TYR A 92 0.735 -8.171 1.823 1.00 0.00 C ATOM 1465 C TYR A 92 1.079 -6.722 2.068 1.00 0.00 C ATOM 1466 O TYR A 92 2.215 -6.285 1.884 1.00 0.00 O ATOM 1467 CB TYR A 92 1.221 -9.022 3.001 1.00 0.00 C ATOM 1468 CG TYR A 92 2.677 -9.425 2.912 1.00 0.00 C ATOM 1469 CD1 TYR A 92 3.687 -8.534 3.251 1.00 0.00 C ATOM 1470 CD2 TYR A 92 3.039 -10.699 2.491 1.00 0.00 C ATOM 1471 CE1 TYR A 92 5.017 -8.901 3.173 1.00 0.00 C ATOM 1472 CE2 TYR A 92 4.367 -11.073 2.410 1.00 0.00 C ATOM 1473 CZ TYR A 92 5.352 -10.170 2.752 1.00 0.00 C ATOM 1474 OH TYR A 92 6.675 -10.538 2.671 1.00 0.00 O ATOM 0 H TYR A 92 2.178 -9.134 0.657 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.350 -8.232 1.740 1.00 0.00 H new ATOM 0 HB2 TYR A 92 1.065 -8.467 3.926 1.00 0.00 H new ATOM 0 HB3 TYR A 92 0.609 -9.922 3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 92 3.429 -7.539 3.581 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.270 -11.408 2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 92 5.791 -8.197 3.441 1.00 0.00 H new ATOM 0 HE2 TYR A 92 4.632 -12.067 2.081 1.00 0.00 H new ATOM 0 HH TYR A 92 6.738 -11.465 2.359 1.00 0.00 H new ATOM 1484 N LEU A 93 0.070 -5.997 2.516 1.00 0.00 N ATOM 1485 CA LEU A 93 0.197 -4.596 2.835 1.00 0.00 C ATOM 1486 C LEU A 93 0.748 -4.443 4.247 1.00 0.00 C ATOM 1487 O LEU A 93 -0.006 -4.433 5.218 1.00 0.00 O ATOM 1488 CB LEU A 93 -1.174 -3.934 2.707 1.00 0.00 C ATOM 1489 CG LEU A 93 -1.499 -3.376 1.320 1.00 0.00 C ATOM 1490 CD1 LEU A 93 -2.970 -3.010 1.221 1.00 0.00 C ATOM 1491 CD2 LEU A 93 -0.634 -2.176 1.006 1.00 0.00 C ATOM 0 H LEU A 93 -0.866 -6.372 2.668 1.00 0.00 H new ATOM 0 HA LEU A 93 0.888 -4.111 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.939 -4.663 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.237 -3.122 3.432 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.286 -4.152 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.181 -2.615 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.578 -3.898 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.208 -2.254 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.883 -1.797 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.810 -1.397 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.416 -2.468 1.029 1.00 0.00 H new ATOM 1503 N VAL A 94 2.070 -4.347 4.356 1.00 0.00 N ATOM 1504 CA VAL A 94 2.718 -4.216 5.655 1.00 0.00 C ATOM 1505 C VAL A 94 3.220 -2.785 5.890 1.00 0.00 C ATOM 1506 O VAL A 94 2.419 -1.879 6.118 1.00 0.00 O ATOM 1507 CB VAL A 94 3.867 -5.241 5.804 1.00 0.00 C ATOM 1508 CG1 VAL A 94 4.816 -5.172 4.618 1.00 0.00 C ATOM 1509 CG2 VAL A 94 4.608 -5.053 7.125 1.00 0.00 C ATOM 0 H VAL A 94 2.711 -4.357 3.563 1.00 0.00 H new ATOM 0 HA VAL A 94 1.972 -4.431 6.420 1.00 0.00 H new ATOM 0 HB VAL A 94 3.427 -6.238 5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.614 -5.903 4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.269 -5.391 3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.246 -4.172 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.410 -5.788 7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.031 -4.049 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.913 -5.187 7.954 1.00 0.00 H new ATOM 1519 N ARG A 95 4.535 -2.579 5.846 1.00 0.00 N ATOM 1520 CA ARG A 95 5.104 -1.256 6.070 1.00 0.00 C ATOM 1521 C ARG A 95 6.410 -1.064 5.326 1.00 0.00 C ATOM 1522 O ARG A 95 6.931 -1.976 4.684 1.00 0.00 O ATOM 1523 CB ARG A 95 5.349 -0.982 7.550 1.00 0.00 C ATOM 1524 CG ARG A 95 4.129 -0.454 8.287 1.00 0.00 C ATOM 1525 CD ARG A 95 3.373 -1.568 8.997 1.00 0.00 C ATOM 1526 NE ARG A 95 4.264 -2.436 9.764 1.00 0.00 N ATOM 1527 CZ ARG A 95 3.948 -3.672 10.146 1.00 0.00 C ATOM 1528 NH1 ARG A 95 2.764 -4.188 9.836 1.00 0.00 N ATOM 1529 NH2 ARG A 95 4.818 -4.394 10.839 1.00 0.00 N ATOM 0 H ARG A 95 5.222 -3.309 5.658 1.00 0.00 H new ATOM 0 HA ARG A 95 4.364 -0.552 5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.682 -1.902 8.030 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.161 -0.261 7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.440 0.296 9.015 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.465 0.044 7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.629 -1.132 9.664 1.00 0.00 H new ATOM 0 HD3 ARG A 95 2.832 -2.164 8.262 1.00 0.00 H new ATOM 0 HE ARG A 95 5.182 -2.074 10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.091 -3.637 9.303 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.527 -5.135 10.131 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.729 -4.003 11.079 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.576 -5.341 11.132 1.00 0.00 H new ATOM 1543 N ALA A 96 6.922 0.150 5.431 1.00 0.00 N ATOM 1544 CA ALA A 96 8.163 0.534 4.793 1.00 0.00 C ATOM 1545 C ALA A 96 9.367 -0.034 5.541 1.00 0.00 C ATOM 1546 O ALA A 96 9.479 0.112 6.758 1.00 0.00 O ATOM 1547 CB ALA A 96 8.237 2.045 4.762 1.00 0.00 C ATOM 0 H ALA A 96 6.483 0.900 5.966 1.00 0.00 H new ATOM 0 HA ALA A 96 8.185 0.132 3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.167 2.354 4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.391 2.439 4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.207 2.432 5.781 1.00 0.00 H new ATOM 1553 N LEU A 97 10.262 -0.683 4.799 1.00 0.00 N ATOM 1554 CA LEU A 97 11.466 -1.284 5.373 1.00 0.00 C ATOM 1555 C LEU A 97 11.139 -2.115 6.614 1.00 0.00 C ATOM 1556 O LEU A 97 9.972 -2.297 6.963 1.00 0.00 O ATOM 1557 CB LEU A 97 12.502 -0.198 5.702 1.00 0.00 C ATOM 1558 CG LEU A 97 12.421 0.404 7.112 1.00 0.00 C ATOM 1559 CD1 LEU A 97 13.539 -0.137 7.990 1.00 0.00 C ATOM 1560 CD2 LEU A 97 12.480 1.923 7.047 1.00 0.00 C ATOM 0 H LEU A 97 10.175 -0.807 3.790 1.00 0.00 H new ATOM 0 HA LEU A 97 11.892 -1.958 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 97 13.498 -0.620 5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 97 12.396 0.609 4.977 1.00 0.00 H new ATOM 0 HG LEU A 97 11.468 0.115 7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 97 13.465 0.301 8.985 1.00 0.00 H new ATOM 0 HD12 LEU A 97 13.452 -1.221 8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 97 14.503 0.120 7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.421 2.333 8.055 1.00 0.00 H new ATOM 0 HD22 LEU A 97 13.417 2.231 6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.644 2.295 6.455 1.00 0.00 H new ATOM 1572 N GLN A 98 12.177 -2.619 7.273 1.00 0.00 N ATOM 1573 CA GLN A 98 12.001 -3.432 8.471 1.00 0.00 C ATOM 1574 C GLN A 98 11.449 -2.594 9.621 1.00 0.00 C ATOM 1575 O GLN A 98 12.260 -1.990 10.355 1.00 0.00 O ATOM 1576 CB GLN A 98 13.332 -4.072 8.878 1.00 0.00 C ATOM 1577 CG GLN A 98 13.268 -5.587 8.988 1.00 0.00 C ATOM 1578 CD GLN A 98 13.396 -6.275 7.643 1.00 0.00 C ATOM 1579 OE1 GLN A 98 12.526 -7.048 7.243 1.00 0.00 O ATOM 1580 NE2 GLN A 98 14.487 -5.997 6.937 1.00 0.00 N ATOM 1581 OXT GLN A 98 10.211 -2.547 9.777 1.00 0.00 O ATOM 0 H GLN A 98 13.149 -2.479 6.998 1.00 0.00 H new ATOM 0 HA GLN A 98 11.283 -4.220 8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.095 -3.801 8.148 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.647 -3.659 9.836 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.064 -5.934 9.647 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.324 -5.874 9.451 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.183 -5.350 7.307 1.00 0.00 H new ATOM 0 HE22 GLN A 98 14.628 -6.431 6.025 1.00 0.00 H new TER 1590 GLN A 98