USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 896 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 103 THR OG1 : rot -159:sc= 0.383 USER MOD Set 1.2: A 127 CYS SG : rot -73:sc= -2.12 USER MOD Set 2.1: A 105 THR OG1 : rot 132:sc= 1.11 USER MOD Set 2.2: A 108 THR OG1 : rot -41:sc= -0.217 USER MOD Set 3.1: A 24 TYR OH : rot 150:sc= -0.567 USER MOD Set 3.2: A 104 LYS NZ :NH3+ 154:sc= -0.829 (180deg=-1.67) USER MOD Set 4.1: A 15 THR OG1 : rot 78:sc= 1.21 USER MOD Set 4.2: A 126 LYS NZ :NH3+ -140:sc= -0.121 (180deg=-0.819) USER MOD Set 5.1: A 6 TYR OH : rot -23:sc= -2.79! USER MOD Set 5.2: A 133 HIS :FLIP no HD1:sc= -6.75! C(o=-11!,f=-9.5!) USER MOD Single : A 4 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -6.42! C(o=-11!,f=-6.4!) USER MOD Single : A 11 MET CE :methyl 177:sc= -0.231 (180deg=-0.284) USER MOD Single : A 16 CYS SG : rot -104:sc= -3.96 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 25 LYS NZ :NH3+ -133:sc= -0.0563 (180deg=-2.49!) USER MOD Single : A 27 SER OG : rot 37:sc= 0.266 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 73:sc= 1.13 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.947 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -5.25! C(o=-5.3!,f=-9!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.85 F(o=-4.7!,f=-1.8) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 26:sc= -6.1! USER MOD Single : A 71 SER OG : rot 16:sc= -3.89! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00529 USER MOD Single : A 85 MET CE :methyl -118:sc= -7.94! (180deg=-10.9!) USER MOD Single : A 89 THR OG1 : rot -22:sc= 0.757 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -3.42 K(o=-3.4,f=-4.5!) USER MOD Single : A 101 THR OG1 : rot -34:sc= -0.409 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl -127:sc= -0.307 (180deg=-0.914) USER MOD Single : A 124 ASN : amide:sc= -0.776 K(o=-0.78,f=-1.5!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl -144:sc= -4.48! (180deg=-7.13!) USER MOD Single : A 132 SER OG : rot 44:sc= 1.19 USER MOD Single : A 137 SER OG : rot -38:sc= 0.167 USER MOD Single : A 138 GLN : amide:sc=-0.00301 X(o=-0.003,f=0) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N TRP A 3 -17.781 14.138 0.712 1.00 0.00 N ATOM 21 CA TRP A 3 -17.310 12.977 -0.125 1.00 0.00 C ATOM 22 C TRP A 3 -17.752 13.158 -1.593 1.00 0.00 C ATOM 23 O TRP A 3 -16.979 12.930 -2.515 1.00 0.00 O ATOM 24 CB TRP A 3 -17.908 11.723 0.406 1.00 0.00 C ATOM 25 CG TRP A 3 -17.028 11.070 1.458 1.00 0.00 C ATOM 26 CD1 TRP A 3 -17.378 9.934 2.054 1.00 0.00 C ATOM 27 CD2 TRP A 3 -15.695 11.442 2.044 1.00 0.00 C ATOM 28 NE1 TRP A 3 -16.411 9.558 2.961 1.00 0.00 N ATOM 29 CE2 TRP A 3 -15.360 10.440 2.996 1.00 0.00 C ATOM 30 CE3 TRP A 3 -14.748 12.511 1.867 1.00 0.00 C ATOM 31 CZ2 TRP A 3 -14.183 10.481 3.732 1.00 0.00 C ATOM 32 CZ3 TRP A 3 -13.561 12.530 2.621 1.00 0.00 C ATOM 33 CH2 TRP A 3 -13.286 11.518 3.547 1.00 0.00 C ATOM 0 HA TRP A 3 -16.222 12.928 -0.083 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -18.885 11.942 0.837 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -18.071 11.024 -0.414 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -18.287 9.386 1.856 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -16.470 8.720 3.540 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -14.949 13.298 1.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -13.968 9.703 4.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -12.854 13.335 2.484 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -12.371 11.546 4.119 1.00 0.00 H new ATOM 44 N ASN A 4 -19.010 13.548 -1.805 1.00 0.00 N ATOM 45 CA ASN A 4 -19.549 13.730 -3.205 1.00 0.00 C ATOM 46 C ASN A 4 -18.794 14.841 -3.947 1.00 0.00 C ATOM 47 O ASN A 4 -18.826 14.898 -5.157 1.00 0.00 O ATOM 48 CB ASN A 4 -21.039 14.086 -3.137 1.00 0.00 C ATOM 49 CG ASN A 4 -21.873 12.809 -3.006 1.00 0.00 C ATOM 50 OD1 ASN A 4 -22.623 12.654 -2.064 1.00 0.00 O ATOM 51 ND2 ASN A 4 -21.778 11.881 -3.921 1.00 0.00 N ATOM 0 H ASN A 4 -19.681 13.746 -1.063 1.00 0.00 H new ATOM 0 HA ASN A 4 -19.412 12.796 -3.750 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -21.227 14.742 -2.287 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -21.333 14.633 -4.033 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -22.333 11.029 -3.843 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -21.149 12.009 -4.713 1.00 0.00 H new ATOM 58 N ALA A 5 -18.118 15.707 -3.222 1.00 0.00 N ATOM 59 CA ALA A 5 -17.314 16.828 -3.866 1.00 0.00 C ATOM 60 C ALA A 5 -16.006 16.218 -4.380 1.00 0.00 C ATOM 61 O ALA A 5 -15.539 16.533 -5.474 1.00 0.00 O ATOM 62 CB ALA A 5 -17.017 17.929 -2.834 1.00 0.00 C ATOM 0 H ALA A 5 -18.082 15.693 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.874 17.280 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -16.442 18.725 -3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -17.955 18.335 -2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -16.444 17.508 -2.008 1.00 0.00 H new ATOM 68 N TYR A 6 -15.437 15.292 -3.621 1.00 0.00 N ATOM 69 CA TYR A 6 -14.184 14.591 -4.098 1.00 0.00 C ATOM 70 C TYR A 6 -14.598 13.597 -5.192 1.00 0.00 C ATOM 71 O TYR A 6 -13.787 13.128 -5.951 1.00 0.00 O ATOM 72 CB TYR A 6 -13.464 13.948 -2.928 1.00 0.00 C ATOM 73 CG TYR A 6 -13.481 14.967 -1.839 1.00 0.00 C ATOM 74 CD1 TYR A 6 -12.788 16.169 -1.989 1.00 0.00 C ATOM 75 CD2 TYR A 6 -14.266 14.752 -0.749 1.00 0.00 C ATOM 76 CE1 TYR A 6 -12.896 17.156 -1.015 1.00 0.00 C ATOM 77 CE2 TYR A 6 -14.369 15.722 0.247 1.00 0.00 C ATOM 78 CZ TYR A 6 -13.686 16.929 0.107 1.00 0.00 C ATOM 79 OH TYR A 6 -13.818 17.904 1.058 1.00 0.00 O ATOM 0 H TYR A 6 -15.780 14.996 -2.707 1.00 0.00 H new ATOM 0 HA TYR A 6 -13.467 15.290 -4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -13.964 13.032 -2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.443 13.678 -3.196 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -12.169 16.332 -2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -14.812 13.825 -0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.370 18.092 -1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.975 15.539 1.122 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.053 18.514 1.009 1.00 0.00 H new ATOM 89 N ILE A 7 -15.902 13.376 -5.327 1.00 0.00 N ATOM 90 CA ILE A 7 -16.441 12.557 -6.457 1.00 0.00 C ATOM 91 C ILE A 7 -16.728 13.606 -7.612 1.00 0.00 C ATOM 92 O ILE A 7 -16.623 13.328 -8.836 1.00 0.00 O ATOM 93 CB ILE A 7 -17.700 11.815 -6.016 1.00 0.00 C ATOM 94 CG1 ILE A 7 -17.247 10.615 -5.160 1.00 0.00 C ATOM 95 CG2 ILE A 7 -18.507 11.337 -7.239 1.00 0.00 C ATOM 96 CD1 ILE A 7 -16.674 9.504 -6.039 1.00 0.00 C ATOM 0 H ILE A 7 -16.612 13.737 -4.690 1.00 0.00 H new ATOM 0 HA ILE A 7 -15.751 11.784 -6.795 1.00 0.00 H new ATOM 0 HB ILE A 7 -18.350 12.473 -5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -16.495 10.939 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -18.092 10.232 -4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -19.400 10.811 -6.902 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -18.798 12.197 -7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -17.894 10.665 -7.839 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -16.362 8.669 -5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.436 9.166 -6.741 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -15.815 9.884 -6.592 1.00 0.00 H new ATOM 108 N ASP A 8 -17.016 14.857 -7.201 1.00 0.00 N ATOM 109 CA ASP A 8 -17.217 15.948 -8.170 1.00 0.00 C ATOM 110 C ASP A 8 -15.889 16.171 -8.895 1.00 0.00 C ATOM 111 O ASP A 8 -15.853 16.718 -9.954 1.00 0.00 O ATOM 112 CB ASP A 8 -17.677 17.209 -7.442 1.00 0.00 C ATOM 113 CG ASP A 8 -19.204 17.247 -7.373 1.00 0.00 C ATOM 114 OD1 ASP A 8 -19.828 17.250 -8.423 1.00 0.00 O ATOM 115 OD2 ASP A 8 -19.728 17.278 -6.270 1.00 0.00 O ATOM 0 H ASP A 8 -17.113 15.132 -6.224 1.00 0.00 H new ATOM 0 HA ASP A 8 -17.990 15.694 -8.896 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -17.259 17.231 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -17.306 18.093 -7.960 1.00 0.00 H new ATOM 120 N ASN A 9 -14.789 15.688 -8.298 1.00 0.00 N ATOM 121 CA ASN A 9 -13.435 15.768 -8.884 1.00 0.00 C ATOM 122 C ASN A 9 -13.475 15.195 -10.246 1.00 0.00 C ATOM 123 O ASN A 9 -13.042 15.773 -11.169 1.00 0.00 O ATOM 124 CB ASN A 9 -12.520 14.913 -7.907 1.00 0.00 C ATOM 125 CG ASN A 9 -11.677 13.696 -8.590 1.00 0.00 C ATOM 126 OD1 ASN A 9 -11.863 12.369 -8.158 1.00 0.00 O flip ATOM 127 ND2 ASN A 9 -10.870 13.930 -9.467 1.00 0.00 N flip ATOM 0 H ASN A 9 -14.810 15.227 -7.388 1.00 0.00 H new ATOM 0 HA ASN A 9 -13.054 16.785 -8.978 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.815 15.587 -7.421 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.153 14.494 -7.124 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.728 14.888 -9.787 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.334 13.168 -9.884 1.00 0.00 H new ATOM 134 N LEU A 10 -14.019 14.069 -10.302 1.00 0.00 N ATOM 135 CA LEU A 10 -14.195 13.278 -11.550 1.00 0.00 C ATOM 136 C LEU A 10 -14.976 13.973 -12.528 1.00 0.00 C ATOM 137 O LEU A 10 -14.758 13.871 -13.736 1.00 0.00 O ATOM 138 CB LEU A 10 -15.016 12.056 -11.203 1.00 0.00 C ATOM 139 CG LEU A 10 -14.284 11.108 -10.298 1.00 0.00 C ATOM 140 CD1 LEU A 10 -12.754 11.169 -10.488 1.00 0.00 C ATOM 141 CD2 LEU A 10 -14.650 11.371 -8.799 1.00 0.00 C ATOM 0 H LEU A 10 -14.391 13.599 -9.476 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.202 13.064 -11.944 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.942 12.370 -10.722 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -15.293 11.536 -12.120 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.607 10.105 -10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.275 10.464 -9.809 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.504 10.909 -11.517 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.401 12.177 -10.272 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.107 10.671 -8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.377 12.392 -8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.722 11.233 -8.657 1.00 0.00 H new ATOM 153 N MET A 11 -15.941 14.589 -12.070 1.00 0.00 N ATOM 154 CA MET A 11 -16.848 15.226 -12.976 1.00 0.00 C ATOM 155 C MET A 11 -16.202 16.560 -13.478 1.00 0.00 C ATOM 156 O MET A 11 -16.425 16.990 -14.599 1.00 0.00 O ATOM 157 CB MET A 11 -18.173 15.316 -12.221 1.00 0.00 C ATOM 158 CG MET A 11 -18.550 13.820 -11.694 1.00 0.00 C ATOM 159 SD MET A 11 -19.267 12.875 -13.075 1.00 0.00 S ATOM 160 CE MET A 11 -17.813 11.850 -13.456 1.00 0.00 C ATOM 0 H MET A 11 -16.160 14.691 -11.079 1.00 0.00 H new ATOM 0 HA MET A 11 -17.054 14.690 -13.903 1.00 0.00 H new ATOM 0 HB2 MET A 11 -18.088 16.006 -11.382 1.00 0.00 H new ATOM 0 HB3 MET A 11 -18.958 15.701 -12.872 1.00 0.00 H new ATOM 0 HG2 MET A 11 -17.660 13.318 -11.315 1.00 0.00 H new ATOM 0 HG3 MET A 11 -19.259 13.878 -10.868 1.00 0.00 H new ATOM 0 HE1 MET A 11 -18.060 11.150 -14.254 1.00 0.00 H new ATOM 0 HE2 MET A 11 -16.991 12.490 -13.777 1.00 0.00 H new ATOM 0 HE3 MET A 11 -17.515 11.296 -12.566 1.00 0.00 H new ATOM 170 N ALA A 12 -15.353 17.157 -12.657 1.00 0.00 N ATOM 171 CA ALA A 12 -14.588 18.416 -13.021 1.00 0.00 C ATOM 172 C ALA A 12 -13.267 18.146 -13.833 1.00 0.00 C ATOM 173 O ALA A 12 -12.774 19.012 -14.544 1.00 0.00 O ATOM 174 CB ALA A 12 -14.210 19.137 -11.719 1.00 0.00 C ATOM 0 H ALA A 12 -15.151 16.813 -11.718 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.239 19.011 -13.661 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.658 20.047 -11.954 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.115 19.394 -11.169 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.588 18.483 -11.108 1.00 0.00 H new ATOM 180 N ASP A 13 -12.648 17.008 -13.591 1.00 0.00 N ATOM 181 CA ASP A 13 -11.249 16.685 -14.186 1.00 0.00 C ATOM 182 C ASP A 13 -11.210 16.371 -15.665 1.00 0.00 C ATOM 183 O ASP A 13 -10.122 16.191 -16.166 1.00 0.00 O ATOM 184 CB ASP A 13 -10.598 15.467 -13.423 1.00 0.00 C ATOM 185 CG ASP A 13 -11.595 14.465 -13.002 1.00 0.00 C ATOM 186 OD1 ASP A 13 -12.413 14.110 -13.810 1.00 0.00 O ATOM 187 OD2 ASP A 13 -11.502 14.030 -11.871 1.00 0.00 O ATOM 0 H ASP A 13 -13.034 16.267 -13.006 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.694 17.613 -14.052 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.860 14.991 -14.068 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.065 15.835 -12.546 1.00 0.00 H new ATOM 192 N GLY A 14 -12.342 16.340 -16.392 1.00 0.00 N ATOM 193 CA GLY A 14 -12.314 16.029 -17.931 1.00 0.00 C ATOM 194 C GLY A 14 -11.075 15.144 -18.293 1.00 0.00 C ATOM 195 O GLY A 14 -10.377 15.382 -19.264 1.00 0.00 O ATOM 0 H GLY A 14 -13.272 16.511 -16.010 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.231 15.516 -18.220 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.279 16.961 -18.495 1.00 0.00 H new ATOM 199 N THR A 15 -10.791 14.190 -17.430 1.00 0.00 N ATOM 200 CA THR A 15 -9.601 13.308 -17.554 1.00 0.00 C ATOM 201 C THR A 15 -9.928 11.946 -16.941 1.00 0.00 C ATOM 202 O THR A 15 -9.480 10.910 -17.420 1.00 0.00 O ATOM 203 CB THR A 15 -8.472 13.994 -16.768 1.00 0.00 C ATOM 204 OG1 THR A 15 -8.093 15.182 -17.437 1.00 0.00 O ATOM 205 CG2 THR A 15 -7.297 13.084 -16.670 1.00 0.00 C ATOM 0 H THR A 15 -11.368 13.987 -16.613 1.00 0.00 H new ATOM 0 HA THR A 15 -9.309 13.153 -18.593 1.00 0.00 H new ATOM 0 HB THR A 15 -8.824 14.232 -15.764 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.750 15.886 -17.252 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.501 13.577 -16.112 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.588 12.168 -16.155 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.941 12.840 -17.671 1.00 0.00 H new ATOM 213 N CYS A 16 -10.674 11.963 -15.869 1.00 0.00 N ATOM 214 CA CYS A 16 -11.037 10.735 -15.151 1.00 0.00 C ATOM 215 C CYS A 16 -12.064 9.908 -15.988 1.00 0.00 C ATOM 216 O CYS A 16 -12.380 10.236 -17.120 1.00 0.00 O ATOM 217 CB CYS A 16 -11.656 11.182 -13.796 1.00 0.00 C ATOM 218 SG CYS A 16 -13.459 11.358 -13.941 1.00 0.00 S ATOM 0 H CYS A 16 -11.054 12.815 -15.457 1.00 0.00 H new ATOM 0 HA CYS A 16 -10.169 10.097 -14.986 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -11.418 10.451 -13.023 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -11.217 12.130 -13.485 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.769 12.619 -13.999 1.00 0.00 H new ATOM 224 N GLN A 17 -12.602 8.876 -15.371 1.00 0.00 N ATOM 225 CA GLN A 17 -13.648 8.015 -16.004 1.00 0.00 C ATOM 226 C GLN A 17 -14.485 7.474 -14.823 1.00 0.00 C ATOM 227 O GLN A 17 -15.704 7.523 -14.825 1.00 0.00 O ATOM 228 CB GLN A 17 -12.981 6.889 -16.771 1.00 0.00 C ATOM 229 CG GLN A 17 -13.771 6.483 -17.984 1.00 0.00 C ATOM 230 CD GLN A 17 -14.737 5.352 -17.638 1.00 0.00 C ATOM 231 OE1 GLN A 17 -15.721 5.569 -16.960 1.00 0.00 O ATOM 232 NE2 GLN A 17 -14.496 4.145 -18.067 1.00 0.00 N ATOM 0 H GLN A 17 -12.347 8.591 -14.425 1.00 0.00 H new ATOM 0 HA GLN A 17 -14.272 8.555 -16.716 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.983 7.202 -17.077 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.858 6.028 -16.115 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.326 7.339 -18.367 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.094 6.162 -18.776 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.670 3.962 -18.637 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -15.134 3.384 -17.833 1.00 0.00 H new ATOM 241 N ASP A 18 -13.783 7.003 -13.767 1.00 0.00 N ATOM 242 CA ASP A 18 -14.464 6.505 -12.526 1.00 0.00 C ATOM 243 C ASP A 18 -13.723 7.056 -11.294 1.00 0.00 C ATOM 244 O ASP A 18 -12.809 7.864 -11.423 1.00 0.00 O ATOM 245 CB ASP A 18 -14.532 4.977 -12.522 1.00 0.00 C ATOM 246 CG ASP A 18 -15.789 4.493 -11.762 1.00 0.00 C ATOM 247 OD1 ASP A 18 -16.785 5.212 -11.747 1.00 0.00 O ATOM 248 OD2 ASP A 18 -15.738 3.405 -11.227 1.00 0.00 O ATOM 0 H ASP A 18 -12.765 6.953 -13.737 1.00 0.00 H new ATOM 0 HA ASP A 18 -15.493 6.862 -12.498 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.554 4.605 -13.546 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.637 4.568 -12.053 1.00 0.00 H new ATOM 253 N ALA A 19 -14.171 6.694 -10.106 1.00 0.00 N ATOM 254 CA ALA A 19 -13.577 7.265 -8.841 1.00 0.00 C ATOM 255 C ALA A 19 -14.100 6.515 -7.630 1.00 0.00 C ATOM 256 O ALA A 19 -15.315 6.437 -7.471 1.00 0.00 O ATOM 257 CB ALA A 19 -14.093 8.633 -8.762 1.00 0.00 C ATOM 0 H ALA A 19 -14.926 6.025 -9.957 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.489 7.203 -8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.705 9.117 -7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.777 9.193 -9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -15.182 8.609 -8.719 1.00 0.00 H new ATOM 263 N ALA A 20 -13.247 5.964 -6.740 1.00 0.00 N ATOM 264 CA ALA A 20 -13.868 5.257 -5.539 1.00 0.00 C ATOM 265 C ALA A 20 -13.182 5.520 -4.223 1.00 0.00 C ATOM 266 O ALA A 20 -12.145 4.939 -3.905 1.00 0.00 O ATOM 267 CB ALA A 20 -13.927 3.777 -5.750 1.00 0.00 C ATOM 0 H ALA A 20 -12.228 5.973 -6.791 1.00 0.00 H new ATOM 0 HA ALA A 20 -14.869 5.684 -5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.374 3.303 -4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -14.531 3.559 -6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.919 3.390 -5.897 1.00 0.00 H new ATOM 273 N ILE A 21 -13.850 6.288 -3.398 1.00 0.00 N ATOM 274 CA ILE A 21 -13.372 6.508 -2.019 1.00 0.00 C ATOM 275 C ILE A 21 -13.938 5.308 -1.281 1.00 0.00 C ATOM 276 O ILE A 21 -15.135 5.114 -1.280 1.00 0.00 O ATOM 277 CB ILE A 21 -13.926 7.810 -1.452 1.00 0.00 C ATOM 278 CG1 ILE A 21 -13.512 8.960 -2.403 1.00 0.00 C ATOM 279 CG2 ILE A 21 -13.349 8.026 -0.030 1.00 0.00 C ATOM 280 CD1 ILE A 21 -13.774 10.313 -1.754 1.00 0.00 C ATOM 0 H ILE A 21 -14.716 6.773 -3.634 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.288 6.595 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 21 -15.013 7.780 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.455 8.869 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.069 8.885 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -13.740 8.956 0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -13.639 7.193 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -12.262 8.081 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -13.477 11.108 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -14.836 10.408 -1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.197 10.392 -0.832 1.00 0.00 H new ATOM 292 N VAL A 22 -13.108 4.447 -0.751 1.00 0.00 N ATOM 293 CA VAL A 22 -13.641 3.191 -0.122 1.00 0.00 C ATOM 294 C VAL A 22 -13.181 3.011 1.320 1.00 0.00 C ATOM 295 O VAL A 22 -12.018 2.784 1.557 1.00 0.00 O ATOM 296 CB VAL A 22 -13.119 1.982 -0.935 1.00 0.00 C ATOM 297 CG1 VAL A 22 -13.759 0.680 -0.419 1.00 0.00 C ATOM 298 CG2 VAL A 22 -13.449 2.175 -2.425 1.00 0.00 C ATOM 0 H VAL A 22 -12.094 4.553 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.729 3.260 -0.124 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.038 1.914 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.384 -0.164 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.504 0.541 0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.842 0.740 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.079 1.321 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.529 2.255 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.973 3.086 -2.788 1.00 0.00 H new ATOM 308 N GLY A 23 -14.111 3.042 2.276 1.00 0.00 N ATOM 309 CA GLY A 23 -13.740 2.779 3.723 1.00 0.00 C ATOM 310 C GLY A 23 -13.296 1.302 3.800 1.00 0.00 C ATOM 311 O GLY A 23 -14.082 0.417 4.064 1.00 0.00 O ATOM 0 H GLY A 23 -15.099 3.236 2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.937 3.443 4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.589 2.964 4.381 1.00 0.00 H new ATOM 315 N TYR A 24 -12.045 1.065 3.505 1.00 0.00 N ATOM 316 CA TYR A 24 -11.454 -0.313 3.454 1.00 0.00 C ATOM 317 C TYR A 24 -10.991 -0.805 4.858 1.00 0.00 C ATOM 318 O TYR A 24 -9.999 -1.527 4.965 1.00 0.00 O ATOM 319 CB TYR A 24 -10.252 -0.243 2.456 1.00 0.00 C ATOM 320 CG TYR A 24 -8.984 0.267 3.139 1.00 0.00 C ATOM 321 CD1 TYR A 24 -9.028 1.305 4.085 1.00 0.00 C ATOM 322 CD2 TYR A 24 -7.781 -0.314 2.815 1.00 0.00 C ATOM 323 CE1 TYR A 24 -7.849 1.740 4.691 1.00 0.00 C ATOM 324 CE2 TYR A 24 -6.607 0.112 3.411 1.00 0.00 C ATOM 325 CZ TYR A 24 -6.636 1.143 4.353 1.00 0.00 C ATOM 326 OH TYR A 24 -5.464 1.569 4.947 1.00 0.00 O ATOM 0 H TYR A 24 -11.376 1.803 3.287 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.202 -1.034 3.123 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.068 -1.232 2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.507 0.413 1.624 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.971 1.764 4.342 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -7.752 -1.112 2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.876 2.537 5.420 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.668 -0.353 3.148 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.834 0.820 5.002 1.00 0.00 H new ATOM 336 N LYS A 25 -11.704 -0.446 5.914 1.00 0.00 N ATOM 337 CA LYS A 25 -11.324 -0.908 7.278 1.00 0.00 C ATOM 338 C LYS A 25 -11.524 -2.423 7.324 1.00 0.00 C ATOM 339 O LYS A 25 -11.460 -3.081 6.292 1.00 0.00 O ATOM 340 CB LYS A 25 -12.192 -0.191 8.303 1.00 0.00 C ATOM 341 CG LYS A 25 -11.704 1.252 8.459 1.00 0.00 C ATOM 342 CD LYS A 25 -12.126 2.051 7.252 1.00 0.00 C ATOM 343 CE LYS A 25 -12.174 3.524 7.622 1.00 0.00 C ATOM 344 NZ LYS A 25 -13.219 3.750 8.665 1.00 0.00 N ATOM 0 H LYS A 25 -12.532 0.148 5.877 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.284 -0.680 7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.235 -0.202 7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.146 -0.708 9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.119 1.693 9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.619 1.273 8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.425 1.892 6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.104 1.719 6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.201 3.847 7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.393 4.123 6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.804 4.568 8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.820 2.905 8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.761 3.935 9.581 1.00 0.00 H new ATOM 358 N ASP A 26 -11.771 -2.988 8.494 1.00 0.00 N ATOM 359 CA ASP A 26 -12.002 -4.505 8.622 1.00 0.00 C ATOM 360 C ASP A 26 -12.907 -4.973 7.477 1.00 0.00 C ATOM 361 O ASP A 26 -12.510 -5.773 6.637 1.00 0.00 O ATOM 362 CB ASP A 26 -12.668 -4.852 9.964 1.00 0.00 C ATOM 363 CG ASP A 26 -13.594 -3.716 10.455 1.00 0.00 C ATOM 364 OD1 ASP A 26 -13.085 -2.773 11.042 1.00 0.00 O ATOM 365 OD2 ASP A 26 -14.791 -3.819 10.247 1.00 0.00 O ATOM 0 H ASP A 26 -11.826 -2.476 9.375 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.036 -5.007 8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.245 -5.771 9.857 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.899 -5.044 10.713 1.00 0.00 H new ATOM 370 N SER A 27 -14.093 -4.418 7.418 1.00 0.00 N ATOM 371 CA SER A 27 -15.037 -4.719 6.337 1.00 0.00 C ATOM 372 C SER A 27 -15.028 -3.489 5.417 1.00 0.00 C ATOM 373 O SER A 27 -15.258 -2.387 5.894 1.00 0.00 O ATOM 374 CB SER A 27 -16.417 -4.927 6.924 1.00 0.00 C ATOM 375 OG SER A 27 -16.676 -3.933 7.910 1.00 0.00 O ATOM 0 H SER A 27 -14.441 -3.749 8.105 1.00 0.00 H new ATOM 0 HA SER A 27 -14.765 -5.622 5.790 1.00 0.00 H new ATOM 0 HB2 SER A 27 -17.169 -4.876 6.136 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.488 -5.920 7.368 1.00 0.00 H new ATOM 0 HG SER A 27 -16.281 -3.082 7.628 1.00 0.00 H new ATOM 381 N PRO A 28 -14.712 -3.681 4.128 1.00 0.00 N ATOM 382 CA PRO A 28 -14.619 -2.579 3.196 1.00 0.00 C ATOM 383 C PRO A 28 -15.987 -2.149 2.717 1.00 0.00 C ATOM 384 O PRO A 28 -16.922 -2.941 2.662 1.00 0.00 O ATOM 385 CB PRO A 28 -13.762 -3.123 2.063 1.00 0.00 C ATOM 386 CG PRO A 28 -13.859 -4.662 2.153 1.00 0.00 C ATOM 387 CD PRO A 28 -14.443 -4.993 3.516 1.00 0.00 C ATOM 0 HA PRO A 28 -14.185 -1.685 3.643 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.120 -2.766 1.097 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.728 -2.791 2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.491 -5.055 1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.876 -5.118 2.034 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -15.355 -5.583 3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.745 -5.576 4.117 1.00 0.00 H new ATOM 395 N SER A 29 -16.099 -0.890 2.365 1.00 0.00 N ATOM 396 CA SER A 29 -17.360 -0.333 1.878 1.00 0.00 C ATOM 397 C SER A 29 -17.042 0.846 1.001 1.00 0.00 C ATOM 398 O SER A 29 -15.969 1.436 1.094 1.00 0.00 O ATOM 399 CB SER A 29 -18.232 0.112 3.048 1.00 0.00 C ATOM 400 OG SER A 29 -17.435 0.814 4.000 1.00 0.00 O ATOM 0 H SER A 29 -15.331 -0.219 2.404 1.00 0.00 H new ATOM 0 HA SER A 29 -17.907 -1.090 1.315 1.00 0.00 H new ATOM 0 HB2 SER A 29 -19.038 0.753 2.691 1.00 0.00 H new ATOM 0 HB3 SER A 29 -18.698 -0.754 3.517 1.00 0.00 H new ATOM 0 HG SER A 29 -17.997 1.100 4.750 1.00 0.00 H new ATOM 406 N VAL A 30 -17.949 1.185 0.141 1.00 0.00 N ATOM 407 CA VAL A 30 -17.744 2.304 -0.768 1.00 0.00 C ATOM 408 C VAL A 30 -18.224 3.583 -0.097 1.00 0.00 C ATOM 409 O VAL A 30 -19.414 3.842 0.000 1.00 0.00 O ATOM 410 CB VAL A 30 -18.505 1.992 -2.040 1.00 0.00 C ATOM 411 CG1 VAL A 30 -18.538 3.212 -2.958 1.00 0.00 C ATOM 412 CG2 VAL A 30 -17.792 0.819 -2.742 1.00 0.00 C ATOM 0 H VAL A 30 -18.846 0.711 0.037 1.00 0.00 H new ATOM 0 HA VAL A 30 -16.693 2.451 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 30 -19.535 1.725 -1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -19.089 2.969 -3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -19.030 4.039 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -17.519 3.500 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -18.319 0.572 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -16.766 1.104 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -17.786 -0.050 -2.083 1.00 0.00 H new ATOM 422 N TRP A 31 -17.282 4.370 0.375 1.00 0.00 N ATOM 423 CA TRP A 31 -17.603 5.641 1.061 1.00 0.00 C ATOM 424 C TRP A 31 -18.146 6.645 0.059 1.00 0.00 C ATOM 425 O TRP A 31 -18.936 7.514 0.409 1.00 0.00 O ATOM 426 CB TRP A 31 -16.318 6.176 1.726 1.00 0.00 C ATOM 427 CG TRP A 31 -16.166 5.572 3.109 1.00 0.00 C ATOM 428 CD1 TRP A 31 -16.924 4.562 3.612 1.00 0.00 C ATOM 429 CD2 TRP A 31 -15.220 5.920 4.164 1.00 0.00 C ATOM 430 NE1 TRP A 31 -16.530 4.295 4.886 1.00 0.00 N ATOM 431 CE2 TRP A 31 -15.482 5.100 5.284 1.00 0.00 C ATOM 432 CE3 TRP A 31 -14.178 6.864 4.265 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -14.745 5.212 6.458 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -13.433 6.974 5.448 1.00 0.00 C ATOM 435 CH2 TRP A 31 -13.721 6.155 6.542 1.00 0.00 C ATOM 0 H TRP A 31 -16.284 4.169 0.306 1.00 0.00 H new ATOM 0 HA TRP A 31 -18.365 5.477 1.823 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -15.451 5.929 1.114 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -16.359 7.263 1.796 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -17.715 4.052 3.083 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -16.959 3.583 5.478 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -13.952 7.506 3.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -14.964 4.572 7.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -12.632 7.696 5.513 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -13.150 6.252 7.454 1.00 0.00 H new ATOM 446 N ALA A 32 -17.741 6.520 -1.191 1.00 0.00 N ATOM 447 CA ALA A 32 -18.236 7.453 -2.259 1.00 0.00 C ATOM 448 C ALA A 32 -17.619 7.081 -3.621 1.00 0.00 C ATOM 449 O ALA A 32 -16.611 7.648 -4.038 1.00 0.00 O ATOM 450 CB ALA A 32 -17.852 8.904 -1.892 1.00 0.00 C ATOM 0 H ALA A 32 -17.086 5.808 -1.515 1.00 0.00 H new ATOM 0 HA ALA A 32 -19.320 7.368 -2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -18.211 9.582 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -18.306 9.170 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -16.768 8.985 -1.813 1.00 0.00 H new ATOM 456 N ALA A 33 -18.241 6.148 -4.333 1.00 0.00 N ATOM 457 CA ALA A 33 -17.730 5.750 -5.674 1.00 0.00 C ATOM 458 C ALA A 33 -18.784 6.066 -6.699 1.00 0.00 C ATOM 459 O ALA A 33 -19.938 5.709 -6.526 1.00 0.00 O ATOM 460 CB ALA A 33 -17.456 4.245 -5.737 1.00 0.00 C ATOM 0 H ALA A 33 -19.080 5.654 -4.029 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.803 6.292 -5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.084 3.984 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.710 3.979 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -18.378 3.699 -5.540 1.00 0.00 H new ATOM 466 N VAL A 34 -18.398 6.705 -7.789 1.00 0.00 N ATOM 467 CA VAL A 34 -19.387 7.035 -8.893 1.00 0.00 C ATOM 468 C VAL A 34 -20.170 5.715 -9.231 1.00 0.00 C ATOM 469 O VAL A 34 -19.605 4.821 -9.830 1.00 0.00 O ATOM 470 CB VAL A 34 -18.609 7.560 -10.132 1.00 0.00 C ATOM 471 CG1 VAL A 34 -19.594 7.978 -11.223 1.00 0.00 C ATOM 472 CG2 VAL A 34 -17.778 8.791 -9.726 1.00 0.00 C ATOM 0 H VAL A 34 -17.442 7.014 -7.966 1.00 0.00 H new ATOM 0 HA VAL A 34 -20.090 7.809 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 34 -17.958 6.769 -10.505 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -19.043 8.345 -12.089 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -20.199 7.120 -11.515 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -20.243 8.768 -10.844 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.231 9.162 -10.592 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -18.442 9.572 -9.354 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -17.072 8.512 -8.944 1.00 0.00 H new ATOM 482 N PRO A 35 -21.441 5.606 -8.747 1.00 0.00 N ATOM 483 CA PRO A 35 -22.243 4.373 -8.914 1.00 0.00 C ATOM 484 C PRO A 35 -22.759 4.182 -10.332 1.00 0.00 C ATOM 485 O PRO A 35 -22.941 5.132 -11.084 1.00 0.00 O ATOM 486 CB PRO A 35 -23.401 4.538 -7.919 1.00 0.00 C ATOM 487 CG PRO A 35 -23.522 6.062 -7.634 1.00 0.00 C ATOM 488 CD PRO A 35 -22.163 6.693 -8.032 1.00 0.00 C ATOM 0 HA PRO A 35 -21.641 3.484 -8.727 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -24.329 4.146 -8.335 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -23.205 3.986 -7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -24.337 6.501 -8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -23.741 6.244 -6.582 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -22.302 7.564 -8.672 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -21.609 7.027 -7.155 1.00 0.00 H new ATOM 496 N GLY A 36 -22.992 2.924 -10.692 1.00 0.00 N ATOM 497 CA GLY A 36 -23.493 2.582 -12.050 1.00 0.00 C ATOM 498 C GLY A 36 -22.324 2.133 -12.934 1.00 0.00 C ATOM 499 O GLY A 36 -22.532 1.500 -13.959 1.00 0.00 O ATOM 0 H GLY A 36 -22.849 2.120 -10.080 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -24.238 1.789 -11.984 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -23.987 3.446 -12.494 1.00 0.00 H new ATOM 503 N LYS A 37 -21.087 2.475 -12.555 1.00 0.00 N ATOM 504 CA LYS A 37 -19.898 2.088 -13.395 1.00 0.00 C ATOM 505 C LYS A 37 -19.350 0.703 -12.990 1.00 0.00 C ATOM 506 O LYS A 37 -19.477 -0.251 -13.744 1.00 0.00 O ATOM 507 CB LYS A 37 -18.782 3.141 -13.249 1.00 0.00 C ATOM 508 CG LYS A 37 -19.373 4.561 -13.323 1.00 0.00 C ATOM 509 CD LYS A 37 -19.919 4.822 -14.732 1.00 0.00 C ATOM 510 CE LYS A 37 -18.813 5.420 -15.610 1.00 0.00 C ATOM 511 NZ LYS A 37 -18.956 6.906 -15.656 1.00 0.00 N ATOM 0 H LYS A 37 -20.865 2.999 -11.709 1.00 0.00 H new ATOM 0 HA LYS A 37 -20.227 2.039 -14.433 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.266 3.004 -12.299 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.041 3.007 -14.037 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -20.170 4.672 -12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.607 5.297 -13.077 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.282 3.892 -15.170 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.768 5.504 -14.683 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.834 5.151 -15.212 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.872 5.008 -16.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.205 7.309 -16.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.884 7.153 -16.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.879 7.292 -14.693 1.00 0.00 H new ATOM 525 N THR A 38 -18.703 0.593 -11.822 1.00 0.00 N ATOM 526 CA THR A 38 -18.095 -0.736 -11.393 1.00 0.00 C ATOM 527 C THR A 38 -17.393 -0.598 -10.018 1.00 0.00 C ATOM 528 O THR A 38 -17.377 -1.526 -9.217 1.00 0.00 O ATOM 529 CB THR A 38 -17.068 -1.164 -12.510 1.00 0.00 C ATOM 530 OG1 THR A 38 -17.732 -1.963 -13.476 1.00 0.00 O ATOM 531 CG2 THR A 38 -15.839 -1.944 -11.950 1.00 0.00 C ATOM 0 H THR A 38 -18.574 1.358 -11.160 1.00 0.00 H new ATOM 0 HA THR A 38 -18.870 -1.494 -11.280 1.00 0.00 H new ATOM 0 HB THR A 38 -16.684 -0.247 -12.958 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.315 -1.397 -14.023 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.172 -2.209 -12.770 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.305 -1.317 -11.236 1.00 0.00 H new ATOM 0 HG23 THR A 38 -16.180 -2.852 -11.452 1.00 0.00 H new ATOM 539 N PHE A 39 -16.785 0.525 -9.796 1.00 0.00 N ATOM 540 CA PHE A 39 -16.005 0.785 -8.540 1.00 0.00 C ATOM 541 C PHE A 39 -16.840 0.664 -7.283 1.00 0.00 C ATOM 542 O PHE A 39 -16.392 0.118 -6.302 1.00 0.00 O ATOM 543 CB PHE A 39 -15.480 2.187 -8.624 1.00 0.00 C ATOM 544 CG PHE A 39 -14.155 2.206 -9.372 1.00 0.00 C ATOM 545 CD1 PHE A 39 -13.933 1.345 -10.467 1.00 0.00 C ATOM 546 CD2 PHE A 39 -13.141 3.063 -8.952 1.00 0.00 C ATOM 547 CE1 PHE A 39 -12.719 1.358 -11.117 1.00 0.00 C ATOM 548 CE2 PHE A 39 -11.917 3.060 -9.602 1.00 0.00 C ATOM 549 CZ PHE A 39 -11.710 2.201 -10.689 1.00 0.00 C ATOM 0 H PHE A 39 -16.791 1.307 -10.450 1.00 0.00 H new ATOM 0 HA PHE A 39 -15.215 0.038 -8.472 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -16.203 2.824 -9.133 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.346 2.594 -7.622 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -14.715 0.676 -10.795 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -13.308 3.730 -8.119 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.555 0.708 -11.964 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.126 3.717 -9.272 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.756 2.197 -11.196 1.00 0.00 H new ATOM 559 N VAL A 40 -18.018 1.210 -7.305 1.00 0.00 N ATOM 560 CA VAL A 40 -18.921 1.189 -6.106 1.00 0.00 C ATOM 561 C VAL A 40 -19.155 -0.267 -5.655 1.00 0.00 C ATOM 562 O VAL A 40 -19.502 -0.515 -4.507 1.00 0.00 O ATOM 563 CB VAL A 40 -20.257 1.884 -6.453 1.00 0.00 C ATOM 564 CG1 VAL A 40 -20.746 1.394 -7.807 1.00 0.00 C ATOM 565 CG2 VAL A 40 -21.305 1.581 -5.367 1.00 0.00 C ATOM 0 H VAL A 40 -18.410 1.683 -8.119 1.00 0.00 H new ATOM 0 HA VAL A 40 -18.454 1.730 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.104 2.962 -6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.688 1.884 -8.053 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.004 1.631 -8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.896 0.315 -7.771 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -22.244 2.075 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.466 0.505 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -20.949 1.949 -4.405 1.00 0.00 H new ATOM 575 N ASN A 41 -18.950 -1.224 -6.544 1.00 0.00 N ATOM 576 CA ASN A 41 -19.131 -2.645 -6.188 1.00 0.00 C ATOM 577 C ASN A 41 -17.831 -3.182 -5.562 1.00 0.00 C ATOM 578 O ASN A 41 -17.584 -4.386 -5.578 1.00 0.00 O ATOM 579 CB ASN A 41 -19.451 -3.417 -7.455 1.00 0.00 C ATOM 580 CG ASN A 41 -20.930 -3.264 -7.787 1.00 0.00 C ATOM 581 OD1 ASN A 41 -21.763 -3.956 -7.240 1.00 0.00 O ATOM 582 ND2 ASN A 41 -21.296 -2.376 -8.668 1.00 0.00 N ATOM 0 H ASN A 41 -18.662 -1.060 -7.508 1.00 0.00 H new ATOM 0 HA ASN A 41 -19.943 -2.758 -5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -18.843 -3.048 -8.281 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -19.205 -4.471 -7.323 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -22.283 -2.263 -8.898 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -20.595 -1.795 -9.128 1.00 0.00 H new ATOM 589 N ILE A 42 -16.973 -2.292 -5.021 1.00 0.00 N ATOM 590 CA ILE A 42 -15.695 -2.753 -4.430 1.00 0.00 C ATOM 591 C ILE A 42 -15.946 -3.516 -3.090 1.00 0.00 C ATOM 592 O ILE A 42 -16.453 -2.984 -2.116 1.00 0.00 O ATOM 593 CB ILE A 42 -14.737 -1.529 -4.255 1.00 0.00 C ATOM 594 CG1 ILE A 42 -13.911 -1.373 -5.542 1.00 0.00 C ATOM 595 CG2 ILE A 42 -13.773 -1.721 -3.066 1.00 0.00 C ATOM 596 CD1 ILE A 42 -13.411 0.064 -5.670 1.00 0.00 C ATOM 0 H ILE A 42 -17.130 -1.285 -4.980 1.00 0.00 H new ATOM 0 HA ILE A 42 -15.212 -3.464 -5.100 1.00 0.00 H new ATOM 0 HB ILE A 42 -15.341 -0.643 -4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.066 -2.061 -5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -14.519 -1.634 -6.408 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.125 -0.849 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -14.347 -1.840 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.165 -2.610 -3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.827 0.166 -6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -14.262 0.744 -5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.786 0.310 -4.811 1.00 0.00 H new ATOM 608 N THR A 43 -15.549 -4.753 -3.093 1.00 0.00 N ATOM 609 CA THR A 43 -15.658 -5.683 -1.915 1.00 0.00 C ATOM 610 C THR A 43 -14.228 -5.878 -1.335 1.00 0.00 C ATOM 611 O THR A 43 -13.288 -5.349 -1.896 1.00 0.00 O ATOM 612 CB THR A 43 -16.186 -7.039 -2.470 1.00 0.00 C ATOM 613 OG1 THR A 43 -15.652 -7.273 -3.772 1.00 0.00 O ATOM 614 CG2 THR A 43 -17.702 -6.998 -2.560 1.00 0.00 C ATOM 0 H THR A 43 -15.126 -5.191 -3.911 1.00 0.00 H new ATOM 0 HA THR A 43 -16.320 -5.300 -1.138 1.00 0.00 H new ATOM 0 HB THR A 43 -15.876 -7.839 -1.798 1.00 0.00 H new ATOM 0 HG1 THR A 43 -15.987 -8.128 -4.114 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.069 -7.948 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 43 -18.121 -6.825 -1.569 1.00 0.00 H new ATOM 0 HG23 THR A 43 -18.005 -6.191 -3.227 1.00 0.00 H new ATOM 622 N PRO A 44 -14.070 -6.677 -0.238 1.00 0.00 N ATOM 623 CA PRO A 44 -12.722 -6.948 0.330 1.00 0.00 C ATOM 624 C PRO A 44 -11.852 -7.819 -0.600 1.00 0.00 C ATOM 625 O PRO A 44 -10.708 -8.126 -0.281 1.00 0.00 O ATOM 626 CB PRO A 44 -12.998 -7.648 1.639 1.00 0.00 C ATOM 627 CG PRO A 44 -14.434 -8.222 1.544 1.00 0.00 C ATOM 628 CD PRO A 44 -15.174 -7.348 0.507 1.00 0.00 C ATOM 0 HA PRO A 44 -12.151 -6.028 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.274 -8.444 1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.914 -6.953 2.475 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.417 -9.266 1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.933 -8.186 2.512 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.796 -7.951 -0.155 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.831 -6.624 0.989 1.00 0.00 H new ATOM 636 N ALA A 45 -12.376 -8.181 -1.741 1.00 0.00 N ATOM 637 CA ALA A 45 -11.609 -8.994 -2.738 1.00 0.00 C ATOM 638 C ALA A 45 -10.782 -8.033 -3.576 1.00 0.00 C ATOM 639 O ALA A 45 -9.540 -8.020 -3.538 1.00 0.00 O ATOM 640 CB ALA A 45 -12.601 -9.739 -3.634 1.00 0.00 C ATOM 0 H ALA A 45 -13.324 -7.943 -2.032 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.961 -9.717 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.055 -10.335 -4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.222 -10.394 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.234 -9.019 -4.153 1.00 0.00 H new ATOM 646 N GLU A 46 -11.476 -7.202 -4.306 1.00 0.00 N ATOM 647 CA GLU A 46 -10.793 -6.153 -5.164 1.00 0.00 C ATOM 648 C GLU A 46 -9.960 -5.252 -4.246 1.00 0.00 C ATOM 649 O GLU A 46 -8.879 -4.812 -4.606 1.00 0.00 O ATOM 650 CB GLU A 46 -11.823 -5.299 -5.974 1.00 0.00 C ATOM 651 CG GLU A 46 -13.150 -5.179 -5.256 1.00 0.00 C ATOM 652 CD GLU A 46 -14.159 -6.172 -5.865 1.00 0.00 C ATOM 653 OE1 GLU A 46 -13.795 -7.323 -6.056 1.00 0.00 O ATOM 654 OE2 GLU A 46 -15.279 -5.761 -6.126 1.00 0.00 O ATOM 0 H GLU A 46 -12.495 -7.194 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.155 -6.653 -5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.413 -4.304 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.980 -5.753 -6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.020 -5.383 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.530 -4.161 -5.341 1.00 0.00 H new ATOM 661 N VAL A 47 -10.441 -5.043 -3.032 1.00 0.00 N ATOM 662 CA VAL A 47 -9.701 -4.248 -2.019 1.00 0.00 C ATOM 663 C VAL A 47 -8.654 -5.138 -1.336 1.00 0.00 C ATOM 664 O VAL A 47 -7.657 -4.648 -0.840 1.00 0.00 O ATOM 665 CB VAL A 47 -10.730 -3.604 -1.047 1.00 0.00 C ATOM 666 CG1 VAL A 47 -10.224 -3.505 0.340 1.00 0.00 C ATOM 667 CG2 VAL A 47 -10.943 -2.148 -1.459 1.00 0.00 C ATOM 0 H VAL A 47 -11.338 -5.405 -2.707 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.143 -3.429 -2.472 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.622 -4.229 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.985 -3.048 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.991 -4.502 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.323 -2.892 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.663 -1.681 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.995 -1.612 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.323 -2.111 -2.480 1.00 0.00 H new ATOM 677 N GLY A 48 -8.870 -6.433 -1.337 1.00 0.00 N ATOM 678 CA GLY A 48 -7.889 -7.379 -0.727 1.00 0.00 C ATOM 679 C GLY A 48 -6.548 -7.259 -1.448 1.00 0.00 C ATOM 680 O GLY A 48 -5.516 -7.512 -0.877 1.00 0.00 O ATOM 0 H GLY A 48 -9.695 -6.877 -1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.765 -7.157 0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.261 -8.401 -0.797 1.00 0.00 H new ATOM 684 N VAL A 49 -6.574 -6.873 -2.707 1.00 0.00 N ATOM 685 CA VAL A 49 -5.282 -6.720 -3.505 1.00 0.00 C ATOM 686 C VAL A 49 -4.862 -5.249 -3.536 1.00 0.00 C ATOM 687 O VAL A 49 -3.681 -4.927 -3.489 1.00 0.00 O ATOM 688 CB VAL A 49 -5.460 -7.250 -4.945 1.00 0.00 C ATOM 689 CG1 VAL A 49 -6.476 -6.390 -5.715 1.00 0.00 C ATOM 690 CG2 VAL A 49 -4.099 -7.206 -5.670 1.00 0.00 C ATOM 0 H VAL A 49 -7.425 -6.655 -3.225 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.503 -7.307 -3.018 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.831 -8.274 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.588 -6.778 -6.727 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.439 -6.421 -5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.122 -5.360 -5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.217 -7.579 -6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.736 -6.179 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.382 -7.829 -5.136 1.00 0.00 H new ATOM 700 N LEU A 50 -5.827 -4.371 -3.568 1.00 0.00 N ATOM 701 CA LEU A 50 -5.562 -2.907 -3.552 1.00 0.00 C ATOM 702 C LEU A 50 -5.008 -2.497 -2.190 1.00 0.00 C ATOM 703 O LEU A 50 -4.563 -1.367 -2.011 1.00 0.00 O ATOM 704 CB LEU A 50 -6.906 -2.195 -3.715 1.00 0.00 C ATOM 705 CG LEU A 50 -7.264 -1.885 -5.156 1.00 0.00 C ATOM 706 CD1 LEU A 50 -8.794 -1.731 -5.252 1.00 0.00 C ATOM 707 CD2 LEU A 50 -6.627 -0.560 -5.553 1.00 0.00 C ATOM 0 H LEU A 50 -6.816 -4.617 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.855 -2.652 -4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.690 -2.815 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.885 -1.265 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.911 -2.683 -5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.073 -1.507 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.273 -2.659 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.119 -0.918 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.880 -0.330 -6.588 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.000 0.232 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.544 -0.632 -5.452 1.00 0.00 H new ATOM 719 N VAL A 51 -5.149 -3.368 -1.199 1.00 0.00 N ATOM 720 CA VAL A 51 -4.763 -2.989 0.206 1.00 0.00 C ATOM 721 C VAL A 51 -4.264 -4.215 1.024 1.00 0.00 C ATOM 722 O VAL A 51 -3.856 -4.060 2.171 1.00 0.00 O ATOM 723 CB VAL A 51 -6.077 -2.356 0.888 1.00 0.00 C ATOM 724 CG1 VAL A 51 -6.982 -1.674 -0.169 1.00 0.00 C ATOM 725 CG2 VAL A 51 -6.935 -3.430 1.610 1.00 0.00 C ATOM 0 H VAL A 51 -5.512 -4.315 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.937 -2.278 0.188 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.715 -1.627 1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.861 -1.256 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.427 -0.876 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.295 -2.410 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.811 -2.957 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.256 -4.183 0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.342 -3.904 2.392 1.00 0.00 H new ATOM 735 N GLY A 52 -4.317 -5.416 0.462 1.00 0.00 N ATOM 736 CA GLY A 52 -3.879 -6.621 1.208 1.00 0.00 C ATOM 737 C GLY A 52 -2.429 -6.499 1.602 1.00 0.00 C ATOM 738 O GLY A 52 -1.752 -5.525 1.287 1.00 0.00 O ATOM 0 H GLY A 52 -4.649 -5.595 -0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.495 -6.749 2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.021 -7.509 0.592 1.00 0.00 H new ATOM 822 N PHE A 58 0.558 -8.928 -7.312 1.00 0.00 N ATOM 823 CA PHE A 58 -0.240 -7.811 -7.987 1.00 0.00 C ATOM 824 C PHE A 58 0.621 -6.626 -8.499 1.00 0.00 C ATOM 825 O PHE A 58 0.183 -5.923 -9.395 1.00 0.00 O ATOM 826 CB PHE A 58 -1.401 -7.322 -7.068 1.00 0.00 C ATOM 827 CG PHE A 58 -0.936 -6.363 -5.991 1.00 0.00 C ATOM 828 CD1 PHE A 58 -0.644 -5.035 -6.315 1.00 0.00 C ATOM 829 CD2 PHE A 58 -0.844 -6.794 -4.660 1.00 0.00 C ATOM 830 CE1 PHE A 58 -0.251 -4.144 -5.315 1.00 0.00 C ATOM 831 CE2 PHE A 58 -0.453 -5.896 -3.661 1.00 0.00 C ATOM 832 CZ PHE A 58 -0.159 -4.576 -3.987 1.00 0.00 C ATOM 0 HA PHE A 58 -0.666 -8.256 -8.886 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.160 -6.834 -7.679 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.875 -8.185 -6.600 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.722 -4.699 -7.338 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.075 -7.818 -4.406 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.018 -3.120 -5.566 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.379 -6.228 -2.636 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.141 -3.884 -3.214 1.00 0.00 H new ATOM 842 N TYR A 59 1.823 -6.372 -7.960 1.00 0.00 N ATOM 843 CA TYR A 59 2.636 -5.204 -8.482 1.00 0.00 C ATOM 844 C TYR A 59 2.983 -5.339 -9.965 1.00 0.00 C ATOM 845 O TYR A 59 3.535 -4.411 -10.553 1.00 0.00 O ATOM 846 CB TYR A 59 3.947 -5.016 -7.705 1.00 0.00 C ATOM 847 CG TYR A 59 3.712 -4.739 -6.246 1.00 0.00 C ATOM 848 CD1 TYR A 59 2.738 -3.843 -5.872 1.00 0.00 C ATOM 849 CD2 TYR A 59 4.519 -5.345 -5.279 1.00 0.00 C ATOM 850 CE1 TYR A 59 2.547 -3.533 -4.520 1.00 0.00 C ATOM 851 CE2 TYR A 59 4.329 -5.043 -3.927 1.00 0.00 C ATOM 852 CZ TYR A 59 3.345 -4.134 -3.548 1.00 0.00 C ATOM 853 OH TYR A 59 3.156 -3.838 -2.213 1.00 0.00 O ATOM 0 H TYR A 59 2.255 -6.908 -7.208 1.00 0.00 H new ATOM 0 HA TYR A 59 1.993 -4.335 -8.341 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.559 -5.912 -7.808 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.511 -4.192 -8.143 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.118 -3.377 -6.624 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.287 -6.044 -5.575 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.782 -2.828 -4.230 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.946 -5.515 -3.177 1.00 0.00 H new ATOM 0 HH TYR A 59 3.796 -4.345 -1.672 1.00 0.00 H new ATOM 863 N VAL A 60 2.715 -6.460 -10.559 1.00 0.00 N ATOM 864 CA VAL A 60 3.064 -6.678 -11.984 1.00 0.00 C ATOM 865 C VAL A 60 1.848 -7.155 -12.782 1.00 0.00 C ATOM 866 O VAL A 60 1.745 -6.873 -13.974 1.00 0.00 O ATOM 867 CB VAL A 60 4.175 -7.728 -12.076 1.00 0.00 C ATOM 868 CG1 VAL A 60 5.532 -7.028 -11.998 1.00 0.00 C ATOM 869 CG2 VAL A 60 4.065 -8.759 -10.926 1.00 0.00 C ATOM 0 H VAL A 60 2.259 -7.253 -10.107 1.00 0.00 H new ATOM 0 HA VAL A 60 3.403 -5.732 -12.406 1.00 0.00 H new ATOM 0 HB VAL A 60 4.074 -8.258 -13.023 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.328 -7.770 -12.063 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.625 -6.322 -12.823 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.611 -6.492 -11.052 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.866 -9.492 -11.017 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.149 -8.246 -9.968 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.102 -9.266 -10.983 1.00 0.00 H new ATOM 879 N ASN A 61 0.925 -7.888 -12.150 1.00 0.00 N ATOM 880 CA ASN A 61 -0.258 -8.382 -12.884 1.00 0.00 C ATOM 881 C ASN A 61 -1.356 -7.328 -12.859 1.00 0.00 C ATOM 882 O ASN A 61 -2.016 -7.093 -13.869 1.00 0.00 O ATOM 883 CB ASN A 61 -0.740 -9.710 -12.289 1.00 0.00 C ATOM 884 CG ASN A 61 -1.142 -9.571 -10.836 1.00 0.00 C ATOM 885 OD1 ASN A 61 -2.062 -8.850 -10.507 1.00 0.00 O ATOM 886 ND2 ASN A 61 -0.495 -10.264 -9.935 1.00 0.00 N ATOM 0 H ASN A 61 0.964 -8.149 -11.165 1.00 0.00 H new ATOM 0 HA ASN A 61 0.013 -8.567 -13.923 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.588 -10.078 -12.866 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.052 -10.454 -12.376 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.763 -10.200 -8.953 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.277 -10.869 -10.214 1.00 0.00 H new ATOM 893 N GLY A 62 -1.536 -6.662 -11.727 1.00 0.00 N ATOM 894 CA GLY A 62 -2.555 -5.596 -11.638 1.00 0.00 C ATOM 895 C GLY A 62 -3.576 -5.896 -10.542 1.00 0.00 C ATOM 896 O GLY A 62 -3.916 -7.044 -10.285 1.00 0.00 O ATOM 0 H GLY A 62 -1.009 -6.826 -10.869 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.069 -4.642 -11.435 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.065 -5.496 -12.596 1.00 0.00 H new ATOM 900 N LEU A 63 -4.078 -4.845 -9.900 1.00 0.00 N ATOM 901 CA LEU A 63 -5.100 -5.011 -8.813 1.00 0.00 C ATOM 902 C LEU A 63 -6.443 -5.313 -9.463 1.00 0.00 C ATOM 903 O LEU A 63 -6.499 -5.804 -10.583 1.00 0.00 O ATOM 904 CB LEU A 63 -5.231 -3.710 -7.962 1.00 0.00 C ATOM 905 CG LEU A 63 -3.885 -3.172 -7.558 1.00 0.00 C ATOM 906 CD1 LEU A 63 -4.043 -1.683 -7.239 1.00 0.00 C ATOM 907 CD2 LEU A 63 -3.407 -3.909 -6.316 1.00 0.00 C ATOM 0 H LEU A 63 -3.815 -3.878 -10.091 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.790 -5.822 -8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.769 -2.954 -8.534 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.823 -3.916 -7.070 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.160 -3.311 -8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.079 -1.270 -6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.407 -1.158 -8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.756 -1.559 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.432 -3.524 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.120 -3.758 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.326 -4.974 -6.534 1.00 0.00 H new ATOM 919 N THR A 64 -7.524 -5.002 -8.769 1.00 0.00 N ATOM 920 CA THR A 64 -8.860 -5.230 -9.275 1.00 0.00 C ATOM 921 C THR A 64 -9.760 -4.317 -8.518 1.00 0.00 C ATOM 922 O THR A 64 -9.708 -4.275 -7.308 1.00 0.00 O ATOM 923 CB THR A 64 -9.261 -6.670 -9.029 1.00 0.00 C ATOM 924 OG1 THR A 64 -8.943 -7.029 -7.689 1.00 0.00 O ATOM 925 CG2 THR A 64 -8.497 -7.558 -9.989 1.00 0.00 C ATOM 0 H THR A 64 -7.497 -4.584 -7.839 1.00 0.00 H new ATOM 0 HA THR A 64 -8.917 -5.041 -10.347 1.00 0.00 H new ATOM 0 HB THR A 64 -10.333 -6.791 -9.186 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.204 -7.960 -7.529 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.776 -8.598 -9.823 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.738 -7.277 -11.014 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.427 -7.438 -9.822 1.00 0.00 H new ATOM 933 N LEU A 65 -10.538 -3.574 -9.211 1.00 0.00 N ATOM 934 CA LEU A 65 -11.465 -2.608 -8.564 1.00 0.00 C ATOM 935 C LEU A 65 -12.857 -2.731 -9.168 1.00 0.00 C ATOM 936 O LEU A 65 -13.118 -2.329 -10.287 1.00 0.00 O ATOM 937 CB LEU A 65 -10.900 -1.176 -8.621 1.00 0.00 C ATOM 938 CG LEU A 65 -9.967 -0.937 -9.842 1.00 0.00 C ATOM 939 CD1 LEU A 65 -10.754 -0.873 -11.142 1.00 0.00 C ATOM 940 CD2 LEU A 65 -9.212 0.384 -9.622 1.00 0.00 C ATOM 0 H LEU A 65 -10.582 -3.586 -10.230 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.557 -2.851 -7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.727 -0.467 -8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.347 -0.973 -7.704 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.269 -1.770 -9.924 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.070 -0.705 -11.974 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.285 -1.813 -11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.473 -0.055 -11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.551 0.571 -10.468 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.927 1.202 -9.533 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.621 0.318 -8.708 1.00 0.00 H new ATOM 952 N GLY A 66 -13.748 -3.348 -8.413 1.00 0.00 N ATOM 953 CA GLY A 66 -15.135 -3.583 -8.887 1.00 0.00 C ATOM 954 C GLY A 66 -15.106 -4.720 -9.905 1.00 0.00 C ATOM 955 O GLY A 66 -15.981 -4.823 -10.753 1.00 0.00 O ATOM 0 H GLY A 66 -13.556 -3.699 -7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -15.784 -3.839 -8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.540 -2.678 -9.340 1.00 0.00 H new ATOM 959 N GLY A 67 -14.076 -5.576 -9.835 1.00 0.00 N ATOM 960 CA GLY A 67 -13.952 -6.701 -10.793 1.00 0.00 C ATOM 961 C GLY A 67 -13.195 -6.237 -12.041 1.00 0.00 C ATOM 962 O GLY A 67 -13.166 -6.949 -13.041 1.00 0.00 O ATOM 0 H GLY A 67 -13.328 -5.520 -9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.426 -7.533 -10.325 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.941 -7.065 -11.071 1.00 0.00 H new ATOM 966 N GLN A 68 -12.569 -5.040 -12.006 1.00 0.00 N ATOM 967 CA GLN A 68 -11.815 -4.561 -13.226 1.00 0.00 C ATOM 968 C GLN A 68 -10.307 -4.571 -12.971 1.00 0.00 C ATOM 969 O GLN A 68 -9.776 -3.714 -12.287 1.00 0.00 O ATOM 970 CB GLN A 68 -12.265 -3.179 -13.604 1.00 0.00 C ATOM 971 CG GLN A 68 -12.269 -3.006 -15.151 1.00 0.00 C ATOM 972 CD GLN A 68 -10.902 -3.403 -15.754 1.00 0.00 C ATOM 973 OE1 GLN A 68 -9.829 -2.735 -15.420 1.00 0.00 O flip ATOM 974 NE2 GLN A 68 -10.820 -4.331 -16.535 1.00 0.00 N flip ATOM 0 H GLN A 68 -12.557 -4.407 -11.206 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.029 -5.242 -14.050 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.265 -2.996 -13.210 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.604 -2.439 -13.152 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.056 -3.621 -15.588 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.496 -1.970 -15.405 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.656 -4.853 -16.796 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.915 -4.588 -16.929 1.00 0.00 H new ATOM 983 N LYS A 69 -9.619 -5.555 -13.522 1.00 0.00 N ATOM 984 CA LYS A 69 -8.144 -5.680 -13.338 1.00 0.00 C ATOM 985 C LYS A 69 -7.396 -4.450 -13.894 1.00 0.00 C ATOM 986 O LYS A 69 -7.314 -4.267 -15.100 1.00 0.00 O ATOM 987 CB LYS A 69 -7.685 -6.921 -14.107 1.00 0.00 C ATOM 988 CG LYS A 69 -6.683 -7.720 -13.283 1.00 0.00 C ATOM 989 CD LYS A 69 -6.796 -9.188 -13.672 1.00 0.00 C ATOM 990 CE LYS A 69 -5.790 -10.022 -12.865 1.00 0.00 C ATOM 991 NZ LYS A 69 -6.422 -10.463 -11.591 1.00 0.00 N ATOM 0 H LYS A 69 -10.034 -6.285 -14.100 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.924 -5.756 -12.273 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.545 -7.545 -14.349 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.232 -6.623 -15.052 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.671 -7.358 -13.463 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.882 -7.594 -12.219 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.809 -9.545 -13.487 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.606 -9.306 -14.739 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.471 -10.888 -13.445 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.897 -9.433 -12.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.742 -11.028 -11.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.705 -9.629 -11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.261 -11.040 -11.801 1.00 0.00 H new ATOM 1005 N CYS A 70 -6.772 -3.661 -13.017 1.00 0.00 N ATOM 1006 CA CYS A 70 -5.944 -2.506 -13.476 1.00 0.00 C ATOM 1007 C CYS A 70 -4.506 -2.911 -13.156 1.00 0.00 C ATOM 1008 O CYS A 70 -4.281 -3.698 -12.270 1.00 0.00 O ATOM 1009 CB CYS A 70 -6.309 -1.237 -12.732 1.00 0.00 C ATOM 1010 SG CYS A 70 -6.299 -1.539 -10.949 1.00 0.00 S ATOM 0 H CYS A 70 -6.812 -3.782 -12.005 1.00 0.00 H new ATOM 0 HA CYS A 70 -6.097 -2.295 -14.534 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -5.602 -0.445 -12.979 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.295 -0.893 -13.045 1.00 0.00 H new ATOM 0 HG CYS A 70 -5.499 -2.528 -10.681 1.00 0.00 H new ATOM 1016 N SER A 71 -3.572 -2.422 -13.882 1.00 0.00 N ATOM 1017 CA SER A 71 -2.115 -2.824 -13.677 1.00 0.00 C ATOM 1018 C SER A 71 -1.302 -1.745 -13.015 1.00 0.00 C ATOM 1019 O SER A 71 -1.178 -0.661 -13.517 1.00 0.00 O ATOM 1020 CB SER A 71 -1.511 -3.123 -14.998 1.00 0.00 C ATOM 1021 OG SER A 71 -1.506 -1.930 -15.768 1.00 0.00 O ATOM 0 H SER A 71 -3.724 -1.746 -14.631 1.00 0.00 H new ATOM 0 HA SER A 71 -2.107 -3.696 -13.022 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.495 -3.499 -14.874 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.079 -3.901 -15.508 1.00 0.00 H new ATOM 0 HG SER A 71 -1.663 -1.161 -15.181 1.00 0.00 H new ATOM 1027 N VAL A 72 -0.731 -2.066 -11.899 1.00 0.00 N ATOM 1028 CA VAL A 72 0.102 -1.086 -11.143 1.00 0.00 C ATOM 1029 C VAL A 72 1.241 -0.523 -11.965 1.00 0.00 C ATOM 1030 O VAL A 72 2.289 -1.148 -12.148 1.00 0.00 O ATOM 1031 CB VAL A 72 0.704 -1.710 -9.909 1.00 0.00 C ATOM 1032 CG1 VAL A 72 1.177 -0.610 -8.985 1.00 0.00 C ATOM 1033 CG2 VAL A 72 -0.306 -2.551 -9.183 1.00 0.00 C ATOM 0 H VAL A 72 -0.804 -2.985 -11.463 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.582 -0.281 -10.876 1.00 0.00 H new ATOM 0 HB VAL A 72 1.536 -2.346 -10.212 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.614 -1.050 -8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.926 -0.004 -9.494 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.332 0.018 -8.705 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.154 -2.989 -8.297 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.150 -1.929 -8.883 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.657 -3.346 -9.840 1.00 0.00 H new ATOM 1043 N ILE A 73 1.065 0.693 -12.377 1.00 0.00 N ATOM 1044 CA ILE A 73 2.065 1.419 -13.075 1.00 0.00 C ATOM 1045 C ILE A 73 2.612 2.476 -12.020 1.00 0.00 C ATOM 1046 O ILE A 73 2.439 3.654 -12.118 1.00 0.00 O ATOM 1047 CB ILE A 73 1.441 2.042 -14.331 1.00 0.00 C ATOM 1048 CG1 ILE A 73 1.378 0.946 -15.476 1.00 0.00 C ATOM 1049 CG2 ILE A 73 2.275 3.244 -14.822 1.00 0.00 C ATOM 1050 CD1 ILE A 73 -0.065 0.796 -16.067 1.00 0.00 C ATOM 0 H ILE A 73 0.201 1.215 -12.232 1.00 0.00 H new ATOM 0 HA ILE A 73 2.895 0.814 -13.439 1.00 0.00 H new ATOM 0 HB ILE A 73 0.439 2.393 -14.086 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.070 1.215 -16.274 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.708 -0.013 -15.078 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.812 3.668 -15.713 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.317 4.002 -14.039 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.286 2.912 -15.061 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.061 0.035 -16.848 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.753 0.500 -15.275 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.386 1.748 -16.490 1.00 0.00 H new ATOM 1062 N ARG A 74 3.213 1.937 -10.995 1.00 0.00 N ATOM 1063 CA ARG A 74 3.840 2.691 -9.802 1.00 0.00 C ATOM 1064 C ARG A 74 3.157 2.283 -8.534 1.00 0.00 C ATOM 1065 O ARG A 74 1.961 2.426 -8.406 1.00 0.00 O ATOM 1066 CB ARG A 74 3.763 4.206 -9.918 1.00 0.00 C ATOM 1067 CG ARG A 74 4.835 4.696 -10.905 1.00 0.00 C ATOM 1068 CD ARG A 74 5.958 5.402 -10.139 1.00 0.00 C ATOM 1069 NE ARG A 74 6.715 4.401 -9.337 1.00 0.00 N ATOM 1070 CZ ARG A 74 7.561 4.799 -8.428 1.00 0.00 C ATOM 1071 NH1 ARG A 74 7.212 5.719 -7.569 1.00 0.00 N ATOM 1072 NH2 ARG A 74 8.758 4.279 -8.378 1.00 0.00 N ATOM 0 H ARG A 74 3.315 0.926 -10.908 1.00 0.00 H new ATOM 0 HA ARG A 74 4.896 2.419 -9.800 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.773 4.506 -10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.915 4.665 -8.941 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.239 3.853 -11.466 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.391 5.379 -11.630 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.627 5.907 -10.836 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.541 6.168 -9.485 1.00 0.00 H new ATOM 0 HE ARG A 74 6.572 3.404 -9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.278 6.126 -7.609 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.874 6.030 -6.858 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.031 3.562 -9.050 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.420 4.590 -7.667 1.00 0.00 H new ATOM 1086 N ASP A 75 3.924 1.770 -7.574 1.00 0.00 N ATOM 1087 CA ASP A 75 3.328 1.344 -6.284 1.00 0.00 C ATOM 1088 C ASP A 75 4.002 2.045 -5.093 1.00 0.00 C ATOM 1089 O ASP A 75 4.920 1.537 -4.466 1.00 0.00 O ATOM 1090 CB ASP A 75 3.338 -0.210 -6.184 1.00 0.00 C ATOM 1091 CG ASP A 75 3.471 -0.716 -4.729 1.00 0.00 C ATOM 1092 OD1 ASP A 75 2.482 -0.682 -4.020 1.00 0.00 O ATOM 1093 OD2 ASP A 75 4.563 -1.121 -4.361 1.00 0.00 O ATOM 0 H ASP A 75 4.933 1.637 -7.648 1.00 0.00 H new ATOM 0 HA ASP A 75 2.285 1.658 -6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.419 -0.603 -6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.164 -0.602 -6.777 1.00 0.00 H new ATOM 1098 N SER A 76 3.454 3.184 -4.755 1.00 0.00 N ATOM 1099 CA SER A 76 3.897 3.963 -3.572 1.00 0.00 C ATOM 1100 C SER A 76 2.604 4.206 -2.757 1.00 0.00 C ATOM 1101 O SER A 76 2.389 5.248 -2.196 1.00 0.00 O ATOM 1102 CB SER A 76 4.534 5.301 -4.018 1.00 0.00 C ATOM 1103 OG SER A 76 5.676 5.031 -4.818 1.00 0.00 O ATOM 0 H SER A 76 2.690 3.617 -5.274 1.00 0.00 H new ATOM 0 HA SER A 76 4.654 3.442 -2.986 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.812 5.891 -4.582 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.817 5.891 -3.146 1.00 0.00 H new ATOM 0 HG SER A 76 6.082 5.876 -5.104 1.00 0.00 H new ATOM 1109 N LEU A 77 1.724 3.197 -2.765 1.00 0.00 N ATOM 1110 CA LEU A 77 0.385 3.259 -2.082 1.00 0.00 C ATOM 1111 C LEU A 77 0.506 3.126 -0.593 1.00 0.00 C ATOM 1112 O LEU A 77 -0.475 3.325 0.107 1.00 0.00 O ATOM 1113 CB LEU A 77 -0.466 2.100 -2.649 1.00 0.00 C ATOM 1114 CG LEU A 77 -1.919 2.166 -2.155 1.00 0.00 C ATOM 1115 CD1 LEU A 77 -2.495 3.570 -2.368 1.00 0.00 C ATOM 1116 CD2 LEU A 77 -2.750 1.154 -2.954 1.00 0.00 C ATOM 0 H LEU A 77 1.900 2.310 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.078 4.228 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.450 2.136 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.025 1.147 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.950 1.934 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.525 3.599 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.900 4.295 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.471 3.816 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.786 1.187 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.706 1.403 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.350 0.152 -2.800 1.00 0.00 H new ATOM 1128 N LEU A 78 1.679 2.840 -0.070 1.00 0.00 N ATOM 1129 CA LEU A 78 1.814 2.766 1.395 1.00 0.00 C ATOM 1130 C LEU A 78 2.652 3.953 1.849 1.00 0.00 C ATOM 1131 O LEU A 78 3.712 4.192 1.349 1.00 0.00 O ATOM 1132 CB LEU A 78 2.329 1.426 1.804 1.00 0.00 C ATOM 1133 CG LEU A 78 1.132 0.429 1.725 1.00 0.00 C ATOM 1134 CD1 LEU A 78 1.605 -1.025 1.725 1.00 0.00 C ATOM 1135 CD2 LEU A 78 0.197 0.649 2.921 1.00 0.00 C ATOM 0 H LEU A 78 2.531 2.659 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 78 0.852 2.847 1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.139 1.108 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.734 1.462 2.815 1.00 0.00 H new ATOM 0 HG LEU A 78 0.606 0.619 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.742 -1.688 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.252 -1.197 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.159 -1.227 2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.638 -0.049 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.746 0.482 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.182 1.671 2.903 1.00 0.00 H new ATOM 1183 N GLU A 82 4.035 9.086 0.391 1.00 0.00 N ATOM 1184 CA GLU A 82 3.469 9.053 -0.980 1.00 0.00 C ATOM 1185 C GLU A 82 2.001 8.529 -1.085 1.00 0.00 C ATOM 1186 O GLU A 82 1.127 9.217 -1.572 1.00 0.00 O ATOM 1187 CB GLU A 82 4.337 8.110 -1.782 1.00 0.00 C ATOM 1188 CG GLU A 82 5.483 8.864 -2.466 1.00 0.00 C ATOM 1189 CD GLU A 82 6.801 8.599 -1.726 1.00 0.00 C ATOM 1190 OE1 GLU A 82 7.443 7.611 -2.039 1.00 0.00 O ATOM 1191 OE2 GLU A 82 7.148 9.389 -0.865 1.00 0.00 O ATOM 0 HA GLU A 82 3.451 10.082 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.744 7.339 -1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.731 7.603 -2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.569 8.546 -3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.271 9.933 -2.476 1.00 0.00 H new ATOM 1198 N PHE A 83 1.790 7.270 -0.745 1.00 0.00 N ATOM 1199 CA PHE A 83 0.432 6.568 -0.925 1.00 0.00 C ATOM 1200 C PHE A 83 -0.093 6.642 -2.395 1.00 0.00 C ATOM 1201 O PHE A 83 -1.177 6.133 -2.657 1.00 0.00 O ATOM 1202 CB PHE A 83 -0.695 7.076 -0.036 1.00 0.00 C ATOM 1203 CG PHE A 83 -0.367 8.354 0.704 1.00 0.00 C ATOM 1204 CD1 PHE A 83 0.384 8.302 1.864 1.00 0.00 C ATOM 1205 CD2 PHE A 83 -0.836 9.582 0.227 1.00 0.00 C ATOM 1206 CE1 PHE A 83 0.677 9.475 2.568 1.00 0.00 C ATOM 1207 CE2 PHE A 83 -0.544 10.760 0.920 1.00 0.00 C ATOM 1208 CZ PHE A 83 0.215 10.706 2.094 1.00 0.00 C ATOM 0 H PHE A 83 2.510 6.673 -0.339 1.00 0.00 H new ATOM 0 HA PHE A 83 0.669 5.545 -0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.581 7.240 -0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.948 6.303 0.690 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.746 7.352 2.228 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.424 9.620 -0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.259 9.429 3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.903 11.709 0.550 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.443 11.614 2.633 1.00 0.00 H new ATOM 1218 N SER A 84 0.618 7.247 -3.340 1.00 0.00 N ATOM 1219 CA SER A 84 0.088 7.320 -4.733 1.00 0.00 C ATOM 1220 C SER A 84 0.623 6.159 -5.535 1.00 0.00 C ATOM 1221 O SER A 84 1.812 5.870 -5.533 1.00 0.00 O ATOM 1222 CB SER A 84 0.472 8.644 -5.366 1.00 0.00 C ATOM 1223 OG SER A 84 1.849 8.906 -5.129 1.00 0.00 O ATOM 0 H SER A 84 1.529 7.684 -3.196 1.00 0.00 H new ATOM 0 HA SER A 84 -1.000 7.258 -4.716 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.276 8.616 -6.438 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.138 9.447 -4.951 1.00 0.00 H new ATOM 0 HG SER A 84 2.095 9.761 -5.540 1.00 0.00 H new ATOM 1229 N MET A 85 -0.268 5.477 -6.199 1.00 0.00 N ATOM 1230 CA MET A 85 0.102 4.281 -7.011 1.00 0.00 C ATOM 1231 C MET A 85 -0.730 4.322 -8.252 1.00 0.00 C ATOM 1232 O MET A 85 -1.941 4.461 -8.157 1.00 0.00 O ATOM 1233 CB MET A 85 -0.277 3.054 -6.182 1.00 0.00 C ATOM 1234 CG MET A 85 -0.204 1.741 -6.976 1.00 0.00 C ATOM 1235 SD MET A 85 -1.644 0.755 -6.577 1.00 0.00 S ATOM 1236 CE MET A 85 -0.794 -0.829 -6.427 1.00 0.00 C ATOM 0 H MET A 85 -1.262 5.704 -6.214 1.00 0.00 H new ATOM 0 HA MET A 85 1.161 4.255 -7.269 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.387 2.987 -5.320 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.288 3.182 -5.797 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.170 1.947 -8.046 1.00 0.00 H new ATOM 0 HG3 MET A 85 0.708 1.198 -6.727 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.179 -1.521 -7.176 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.275 -0.684 -6.582 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.964 -1.240 -5.432 1.00 0.00 H new ATOM 1246 N ASP A 86 -0.137 4.174 -9.424 1.00 0.00 N ATOM 1247 CA ASP A 86 -0.973 4.188 -10.624 1.00 0.00 C ATOM 1248 C ASP A 86 -1.304 2.800 -10.974 1.00 0.00 C ATOM 1249 O ASP A 86 -0.512 1.926 -10.778 1.00 0.00 O ATOM 1250 CB ASP A 86 -0.231 4.765 -11.790 1.00 0.00 C ATOM 1251 CG ASP A 86 -0.234 6.294 -11.721 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -1.301 6.872 -11.851 1.00 0.00 O ATOM 1253 OD2 ASP A 86 0.832 6.864 -11.545 1.00 0.00 O ATOM 0 H ASP A 86 0.864 4.049 -9.575 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.860 4.787 -10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.795 4.397 -11.794 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.692 4.436 -12.721 1.00 0.00 H new ATOM 1258 N LEU A 87 -2.461 2.600 -11.523 1.00 0.00 N ATOM 1259 CA LEU A 87 -2.855 1.288 -11.996 1.00 0.00 C ATOM 1260 C LEU A 87 -3.848 1.500 -13.139 1.00 0.00 C ATOM 1261 O LEU A 87 -4.651 2.433 -13.100 1.00 0.00 O ATOM 1262 CB LEU A 87 -3.314 0.300 -10.888 1.00 0.00 C ATOM 1263 CG LEU A 87 -4.093 0.891 -9.675 1.00 0.00 C ATOM 1264 CD1 LEU A 87 -3.303 1.976 -8.970 1.00 0.00 C ATOM 1265 CD2 LEU A 87 -5.457 1.411 -10.103 1.00 0.00 C ATOM 0 H LEU A 87 -3.162 3.328 -11.660 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.981 0.758 -12.375 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.942 -0.459 -11.354 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.430 -0.209 -10.504 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.242 0.079 -8.963 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.882 2.361 -8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.364 1.562 -8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.094 2.786 -9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.979 1.818 -9.237 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.330 2.194 -10.851 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.041 0.594 -10.528 1.00 0.00 H new ATOM 1277 N ARG A 88 -3.725 0.727 -14.242 1.00 0.00 N ATOM 1278 CA ARG A 88 -4.618 1.015 -15.428 1.00 0.00 C ATOM 1279 C ARG A 88 -5.206 -0.219 -16.069 1.00 0.00 C ATOM 1280 O ARG A 88 -4.523 -1.175 -16.358 1.00 0.00 O ATOM 1281 CB ARG A 88 -3.810 1.824 -16.505 1.00 0.00 C ATOM 1282 CG ARG A 88 -3.084 0.929 -17.572 1.00 0.00 C ATOM 1283 CD ARG A 88 -2.533 1.854 -18.658 1.00 0.00 C ATOM 1284 NE ARG A 88 -1.042 1.805 -18.642 1.00 0.00 N ATOM 1285 CZ ARG A 88 -0.395 1.041 -19.486 1.00 0.00 C ATOM 1286 NH1 ARG A 88 -0.777 -0.193 -19.683 1.00 0.00 N ATOM 1287 NH2 ARG A 88 0.647 1.509 -20.117 1.00 0.00 N ATOM 0 H ARG A 88 -3.073 -0.049 -14.353 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.458 1.594 -15.045 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.490 2.503 -17.019 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.067 2.440 -15.998 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.278 0.360 -17.109 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.778 0.207 -18.001 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.907 1.549 -19.635 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.876 2.875 -18.490 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.523 2.370 -17.970 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.582 -0.564 -19.178 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.270 -0.785 -20.341 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.955 2.467 -19.952 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.153 0.917 -20.775 1.00 0.00 H new ATOM 1301 N THR A 89 -6.481 -0.137 -16.379 1.00 0.00 N ATOM 1302 CA THR A 89 -7.181 -1.243 -17.088 1.00 0.00 C ATOM 1303 C THR A 89 -6.429 -1.515 -18.401 1.00 0.00 C ATOM 1304 O THR A 89 -6.713 -0.897 -19.430 1.00 0.00 O ATOM 1305 CB THR A 89 -8.685 -0.856 -17.394 1.00 0.00 C ATOM 1306 OG1 THR A 89 -8.828 -0.221 -18.661 1.00 0.00 O ATOM 1307 CG2 THR A 89 -9.246 0.096 -16.338 1.00 0.00 C ATOM 0 H THR A 89 -7.070 0.667 -16.164 1.00 0.00 H new ATOM 0 HA THR A 89 -7.191 -2.134 -16.460 1.00 0.00 H new ATOM 0 HB THR A 89 -9.236 -1.797 -17.388 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.970 0.168 -18.931 1.00 0.00 H new ATOM 0 HG21 THR A 89 -10.280 0.340 -16.581 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.206 -0.382 -15.359 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.652 1.010 -16.320 1.00 0.00 H new ATOM 1315 N LYS A 90 -5.467 -2.417 -18.385 1.00 0.00 N ATOM 1316 CA LYS A 90 -4.744 -2.690 -19.599 1.00 0.00 C ATOM 1317 C LYS A 90 -5.614 -3.698 -20.352 1.00 0.00 C ATOM 1318 O LYS A 90 -6.140 -4.633 -19.760 1.00 0.00 O ATOM 1319 CB LYS A 90 -3.352 -3.267 -19.337 1.00 0.00 C ATOM 1320 CG LYS A 90 -2.745 -2.840 -18.021 1.00 0.00 C ATOM 1321 CD LYS A 90 -1.207 -3.101 -18.143 1.00 0.00 C ATOM 1322 CE LYS A 90 -0.860 -4.485 -17.573 1.00 0.00 C ATOM 1323 NZ LYS A 90 -0.285 -5.335 -18.658 1.00 0.00 N ATOM 0 H LYS A 90 -5.178 -2.956 -17.569 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.570 -1.774 -20.164 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.411 -4.355 -19.362 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.687 -2.965 -20.146 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.946 -1.787 -17.823 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.171 -3.407 -17.194 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.902 -3.042 -19.188 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.655 -2.329 -17.606 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.146 -4.386 -16.756 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.753 -4.956 -17.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.049 -6.273 -18.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.981 -5.438 -19.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.576 -4.886 -19.031 1.00 0.00 H new ATOM 1434 N ASN A 99 -7.256 4.099 -17.103 1.00 0.00 N ATOM 1435 CA ASN A 99 -6.159 4.161 -16.112 1.00 0.00 C ATOM 1436 C ASN A 99 -6.691 4.552 -14.813 1.00 0.00 C ATOM 1437 O ASN A 99 -7.881 4.551 -14.609 1.00 0.00 O ATOM 1438 CB ASN A 99 -4.996 5.100 -16.577 1.00 0.00 C ATOM 1439 CG ASN A 99 -4.514 4.763 -18.011 1.00 0.00 C ATOM 1440 OD1 ASN A 99 -5.004 3.859 -18.655 1.00 0.00 O ATOM 1441 ND2 ASN A 99 -3.551 5.470 -18.533 1.00 0.00 N ATOM 0 HA ASN A 99 -5.722 3.167 -16.021 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.331 6.137 -16.542 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.160 5.012 -15.884 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -3.217 5.261 -19.474 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -3.132 6.232 -18.001 1.00 0.00 H new ATOM 1448 N VAL A 100 -5.823 4.811 -13.895 1.00 0.00 N ATOM 1449 CA VAL A 100 -6.225 5.124 -12.539 1.00 0.00 C ATOM 1450 C VAL A 100 -5.027 5.624 -11.767 1.00 0.00 C ATOM 1451 O VAL A 100 -3.877 5.369 -12.113 1.00 0.00 O ATOM 1452 CB VAL A 100 -6.620 3.813 -11.782 1.00 0.00 C ATOM 1453 CG1 VAL A 100 -7.412 4.153 -10.551 1.00 0.00 C ATOM 1454 CG2 VAL A 100 -7.451 2.821 -12.616 1.00 0.00 C ATOM 0 H VAL A 100 -4.815 4.815 -14.048 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.041 5.845 -12.598 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.675 3.326 -11.542 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.684 3.236 -10.028 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.811 4.781 -9.893 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.317 4.689 -10.837 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.680 1.942 -12.014 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.380 3.298 -12.930 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.883 2.520 -13.496 1.00 0.00 H new ATOM 1464 N THR A 101 -5.319 6.187 -10.665 1.00 0.00 N ATOM 1465 CA THR A 101 -4.308 6.587 -9.690 1.00 0.00 C ATOM 1466 C THR A 101 -4.908 6.099 -8.351 1.00 0.00 C ATOM 1467 O THR A 101 -6.112 5.872 -8.263 1.00 0.00 O ATOM 1468 CB THR A 101 -4.074 8.117 -9.701 1.00 0.00 C ATOM 1469 OG1 THR A 101 -3.269 8.467 -10.823 1.00 0.00 O ATOM 1470 CG2 THR A 101 -3.357 8.552 -8.416 1.00 0.00 C ATOM 0 H THR A 101 -6.275 6.401 -10.380 1.00 0.00 H new ATOM 0 HA THR A 101 -3.324 6.164 -9.893 1.00 0.00 H new ATOM 0 HB THR A 101 -5.039 8.620 -9.763 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.623 7.751 -10.998 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.198 9.630 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.968 8.291 -7.552 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.395 8.044 -8.347 1.00 0.00 H new ATOM 1478 N VAL A 102 -4.130 5.897 -7.342 1.00 0.00 N ATOM 1479 CA VAL A 102 -4.717 5.375 -6.091 1.00 0.00 C ATOM 1480 C VAL A 102 -3.968 5.926 -4.888 1.00 0.00 C ATOM 1481 O VAL A 102 -2.794 5.672 -4.686 1.00 0.00 O ATOM 1482 CB VAL A 102 -4.702 3.841 -6.228 1.00 0.00 C ATOM 1483 CG1 VAL A 102 -4.753 3.135 -4.874 1.00 0.00 C ATOM 1484 CG2 VAL A 102 -5.919 3.448 -7.031 1.00 0.00 C ATOM 0 H VAL A 102 -3.124 6.067 -7.325 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.746 5.695 -5.926 1.00 0.00 H new ATOM 0 HB VAL A 102 -3.773 3.542 -6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.740 2.056 -5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -3.889 3.428 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.667 3.417 -4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.943 2.365 -7.149 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.819 3.776 -6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -5.875 3.919 -8.013 1.00 0.00 H new ATOM 1494 N THR A 103 -4.675 6.704 -4.102 1.00 0.00 N ATOM 1495 CA THR A 103 -4.073 7.354 -2.898 1.00 0.00 C ATOM 1496 C THR A 103 -4.635 6.733 -1.627 1.00 0.00 C ATOM 1497 O THR A 103 -5.813 6.869 -1.323 1.00 0.00 O ATOM 1498 CB THR A 103 -4.387 8.836 -2.920 1.00 0.00 C ATOM 1499 OG1 THR A 103 -5.739 9.025 -3.267 1.00 0.00 O ATOM 1500 CG2 THR A 103 -3.486 9.526 -3.945 1.00 0.00 C ATOM 0 H THR A 103 -5.661 6.918 -4.249 1.00 0.00 H new ATOM 0 HA THR A 103 -2.993 7.205 -2.915 1.00 0.00 H new ATOM 0 HB THR A 103 -4.208 9.265 -1.934 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.866 9.937 -3.602 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.708 10.593 -3.965 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.442 9.378 -3.670 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.665 9.100 -4.932 1.00 0.00 H new ATOM 1508 N LYS A 104 -3.793 6.052 -0.894 1.00 0.00 N ATOM 1509 CA LYS A 104 -4.212 5.386 0.380 1.00 0.00 C ATOM 1510 C LYS A 104 -3.905 6.312 1.577 1.00 0.00 C ATOM 1511 O LYS A 104 -2.752 6.583 1.878 1.00 0.00 O ATOM 1512 CB LYS A 104 -3.409 4.072 0.503 1.00 0.00 C ATOM 1513 CG LYS A 104 -3.583 3.411 1.883 1.00 0.00 C ATOM 1514 CD LYS A 104 -4.901 2.664 1.925 1.00 0.00 C ATOM 1515 CE LYS A 104 -4.726 1.292 1.269 1.00 0.00 C ATOM 1516 NZ LYS A 104 -3.779 0.467 2.073 1.00 0.00 N ATOM 0 H LYS A 104 -2.809 5.926 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 104 -5.282 5.178 0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.730 3.378 -0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.352 4.276 0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.758 2.725 2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.557 4.168 2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.233 2.547 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.671 3.233 1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.690 0.788 1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.349 1.409 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.981 -0.542 1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.803 0.673 1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.892 0.693 3.082 1.00 0.00 H new ATOM 1530 N THR A 105 -4.936 6.757 2.278 1.00 0.00 N ATOM 1531 CA THR A 105 -4.724 7.630 3.485 1.00 0.00 C ATOM 1532 C THR A 105 -4.339 6.703 4.664 1.00 0.00 C ATOM 1533 O THR A 105 -3.679 5.691 4.455 1.00 0.00 O ATOM 1534 CB THR A 105 -6.024 8.390 3.805 1.00 0.00 C ATOM 1535 OG1 THR A 105 -7.029 7.455 4.144 1.00 0.00 O ATOM 1536 CG2 THR A 105 -6.469 9.225 2.595 1.00 0.00 C ATOM 0 H THR A 105 -5.912 6.551 2.063 1.00 0.00 H new ATOM 0 HA THR A 105 -3.937 8.362 3.306 1.00 0.00 H new ATOM 0 HB THR A 105 -5.851 9.067 4.642 1.00 0.00 H new ATOM 0 HG1 THR A 105 -7.475 7.739 4.969 1.00 0.00 H new ATOM 0 HG21 THR A 105 -7.389 9.756 2.838 1.00 0.00 H new ATOM 0 HG22 THR A 105 -5.690 9.945 2.344 1.00 0.00 H new ATOM 0 HG23 THR A 105 -6.644 8.567 1.743 1.00 0.00 H new ATOM 1544 N ASP A 106 -4.754 7.023 5.896 1.00 0.00 N ATOM 1545 CA ASP A 106 -4.426 6.150 7.062 1.00 0.00 C ATOM 1546 C ASP A 106 -5.606 5.200 7.343 1.00 0.00 C ATOM 1547 O ASP A 106 -5.446 4.204 8.039 1.00 0.00 O ATOM 1548 CB ASP A 106 -4.166 7.017 8.296 1.00 0.00 C ATOM 1549 CG ASP A 106 -3.587 6.149 9.416 1.00 0.00 C ATOM 1550 OD1 ASP A 106 -2.404 5.861 9.363 1.00 0.00 O ATOM 1551 OD2 ASP A 106 -4.339 5.785 10.307 1.00 0.00 O ATOM 0 H ASP A 106 -5.303 7.853 6.122 1.00 0.00 H new ATOM 0 HA ASP A 106 -3.534 5.566 6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.473 7.821 8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -5.093 7.485 8.627 1.00 0.00 H new ATOM 1556 N LYS A 107 -6.807 5.508 6.816 1.00 0.00 N ATOM 1557 CA LYS A 107 -8.007 4.620 7.073 1.00 0.00 C ATOM 1558 C LYS A 107 -9.007 4.703 5.895 1.00 0.00 C ATOM 1559 O LYS A 107 -10.181 4.420 6.058 1.00 0.00 O ATOM 1560 CB LYS A 107 -8.711 5.070 8.373 1.00 0.00 C ATOM 1561 CG LYS A 107 -7.683 5.283 9.480 1.00 0.00 C ATOM 1562 CD LYS A 107 -8.397 5.661 10.775 1.00 0.00 C ATOM 1563 CE LYS A 107 -7.497 6.571 11.607 1.00 0.00 C ATOM 1564 NZ LYS A 107 -8.270 7.109 12.760 1.00 0.00 N ATOM 0 H LYS A 107 -6.991 6.324 6.232 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.664 3.590 7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.263 5.993 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -9.438 4.318 8.681 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.098 4.375 9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.984 6.070 9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.336 6.167 10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.646 4.763 11.340 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.630 6.016 11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.121 7.389 10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.659 7.729 13.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.084 7.652 12.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.608 6.321 13.349 1.00 0.00 H new ATOM 1578 N THR A 108 -8.548 5.083 4.709 1.00 0.00 N ATOM 1579 CA THR A 108 -9.465 5.175 3.523 1.00 0.00 C ATOM 1580 C THR A 108 -8.684 4.715 2.281 1.00 0.00 C ATOM 1581 O THR A 108 -7.461 4.770 2.246 1.00 0.00 O ATOM 1582 CB THR A 108 -9.981 6.625 3.362 1.00 0.00 C ATOM 1583 OG1 THR A 108 -8.990 7.440 2.761 1.00 0.00 O ATOM 1584 CG2 THR A 108 -10.347 7.186 4.744 1.00 0.00 C ATOM 0 H THR A 108 -7.577 5.332 4.520 1.00 0.00 H new ATOM 0 HA THR A 108 -10.337 4.535 3.659 1.00 0.00 H new ATOM 0 HB THR A 108 -10.862 6.621 2.720 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.113 7.220 3.138 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.711 8.208 4.637 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.125 6.568 5.193 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.465 7.181 5.384 1.00 0.00 H new ATOM 1592 N LEU A 109 -9.388 4.238 1.293 1.00 0.00 N ATOM 1593 CA LEU A 109 -8.743 3.722 0.034 1.00 0.00 C ATOM 1594 C LEU A 109 -9.309 4.577 -1.128 1.00 0.00 C ATOM 1595 O LEU A 109 -10.312 4.209 -1.726 1.00 0.00 O ATOM 1596 CB LEU A 109 -9.201 2.228 -0.100 1.00 0.00 C ATOM 1597 CG LEU A 109 -8.179 1.254 -0.762 1.00 0.00 C ATOM 1598 CD1 LEU A 109 -8.736 0.694 -2.055 1.00 0.00 C ATOM 1599 CD2 LEU A 109 -6.829 1.879 -1.031 1.00 0.00 C ATOM 0 H LEU A 109 -10.406 4.179 1.298 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.655 3.780 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.439 1.852 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.124 2.203 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.024 0.455 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.008 0.017 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.658 0.151 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.943 1.511 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -6.172 1.141 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -6.949 2.729 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -6.392 2.218 -0.092 1.00 0.00 H new ATOM 1611 N VAL A 110 -8.695 5.739 -1.451 1.00 0.00 N ATOM 1612 CA VAL A 110 -9.264 6.591 -2.529 1.00 0.00 C ATOM 1613 C VAL A 110 -8.786 6.069 -3.876 1.00 0.00 C ATOM 1614 O VAL A 110 -7.613 5.762 -4.060 1.00 0.00 O ATOM 1615 CB VAL A 110 -8.835 8.097 -2.301 1.00 0.00 C ATOM 1616 CG1 VAL A 110 -8.761 8.869 -3.630 1.00 0.00 C ATOM 1617 CG2 VAL A 110 -9.878 8.796 -1.397 1.00 0.00 C ATOM 0 H VAL A 110 -7.849 6.098 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.353 6.551 -2.511 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.849 8.095 -1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.464 9.900 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.028 8.397 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.739 8.858 -4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -9.585 9.834 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.856 8.765 -1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.929 8.283 -0.437 1.00 0.00 H new ATOM 1627 N LEU A 111 -9.690 6.013 -4.816 1.00 0.00 N ATOM 1628 CA LEU A 111 -9.346 5.572 -6.175 1.00 0.00 C ATOM 1629 C LEU A 111 -9.741 6.675 -7.111 1.00 0.00 C ATOM 1630 O LEU A 111 -10.781 7.292 -6.955 1.00 0.00 O ATOM 1631 CB LEU A 111 -10.114 4.275 -6.557 1.00 0.00 C ATOM 1632 CG LEU A 111 -9.882 3.221 -5.495 1.00 0.00 C ATOM 1633 CD1 LEU A 111 -11.114 2.341 -5.351 1.00 0.00 C ATOM 1634 CD2 LEU A 111 -8.672 2.341 -5.881 1.00 0.00 C ATOM 0 H LEU A 111 -10.670 6.262 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.279 5.355 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.180 4.484 -6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.775 3.911 -7.527 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.683 3.721 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.935 1.587 -4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.968 2.955 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -11.323 1.850 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.512 1.585 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.868 1.852 -6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.782 2.964 -5.968 1.00 0.00 H new ATOM 1646 N LEU A 112 -8.935 6.934 -8.071 1.00 0.00 N ATOM 1647 CA LEU A 112 -9.246 7.967 -9.057 1.00 0.00 C ATOM 1648 C LEU A 112 -9.101 7.291 -10.379 1.00 0.00 C ATOM 1649 O LEU A 112 -8.012 7.172 -10.916 1.00 0.00 O ATOM 1650 CB LEU A 112 -8.254 9.121 -8.935 1.00 0.00 C ATOM 1651 CG LEU A 112 -8.415 10.170 -10.078 1.00 0.00 C ATOM 1652 CD1 LEU A 112 -9.880 10.522 -10.327 1.00 0.00 C ATOM 1653 CD2 LEU A 112 -7.646 11.421 -9.707 1.00 0.00 C ATOM 0 H LEU A 112 -8.045 6.458 -8.218 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.243 8.387 -8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.391 9.613 -7.972 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.238 8.726 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.022 9.737 -10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.946 11.255 -11.131 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.427 9.623 -10.610 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.313 10.939 -9.418 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.752 12.162 -10.500 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.040 11.828 -8.776 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.592 11.175 -9.578 1.00 0.00 H new ATOM 1665 N MET A 113 -10.174 6.824 -10.892 1.00 0.00 N ATOM 1666 CA MET A 113 -10.110 6.075 -12.196 1.00 0.00 C ATOM 1667 C MET A 113 -10.270 6.998 -13.297 1.00 0.00 C ATOM 1668 O MET A 113 -10.911 8.028 -13.148 1.00 0.00 O ATOM 1669 CB MET A 113 -11.226 5.053 -12.282 1.00 0.00 C ATOM 1670 CG MET A 113 -10.854 3.949 -13.298 1.00 0.00 C ATOM 1671 SD MET A 113 -12.326 3.446 -14.218 1.00 0.00 S ATOM 1672 CE MET A 113 -11.708 1.850 -14.807 1.00 0.00 C ATOM 0 H MET A 113 -11.105 6.915 -10.485 1.00 0.00 H new ATOM 0 HA MET A 113 -9.144 5.573 -12.248 1.00 0.00 H new ATOM 0 HB2 MET A 113 -11.403 4.612 -11.301 1.00 0.00 H new ATOM 0 HB3 MET A 113 -12.153 5.539 -12.584 1.00 0.00 H new ATOM 0 HG2 MET A 113 -10.092 4.316 -13.985 1.00 0.00 H new ATOM 0 HG3 MET A 113 -10.428 3.091 -12.778 1.00 0.00 H new ATOM 0 HE1 MET A 113 -11.824 1.792 -15.889 1.00 0.00 H new ATOM 0 HE2 MET A 113 -10.654 1.750 -14.549 1.00 0.00 H new ATOM 0 HE3 MET A 113 -12.274 1.045 -14.338 1.00 0.00 H new ATOM 1682 N GLY A 114 -9.735 6.643 -14.438 1.00 0.00 N ATOM 1683 CA GLY A 114 -9.920 7.489 -15.562 1.00 0.00 C ATOM 1684 C GLY A 114 -9.004 7.294 -16.768 1.00 0.00 C ATOM 1685 O GLY A 114 -7.784 7.316 -16.672 1.00 0.00 O ATOM 0 H GLY A 114 -9.186 5.799 -14.600 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.949 7.371 -15.902 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.812 8.520 -15.225 1.00 0.00 H new ATOM 1773 N GLY A 121 -0.944 11.834 -15.667 1.00 0.00 N ATOM 1774 CA GLY A 121 -0.146 12.686 -14.705 1.00 0.00 C ATOM 1775 C GLY A 121 -1.087 13.653 -13.959 1.00 0.00 C ATOM 1776 O GLY A 121 -0.796 14.080 -12.847 1.00 0.00 O ATOM 0 HA2 GLY A 121 0.378 12.051 -13.991 1.00 0.00 H new ATOM 0 HA3 GLY A 121 0.613 13.249 -15.248 1.00 0.00 H new ATOM 1780 N LEU A 122 -2.222 13.983 -14.566 1.00 0.00 N ATOM 1781 CA LEU A 122 -3.214 14.906 -13.919 1.00 0.00 C ATOM 1782 C LEU A 122 -4.082 14.077 -12.996 1.00 0.00 C ATOM 1783 O LEU A 122 -4.519 14.550 -11.974 1.00 0.00 O ATOM 1784 CB LEU A 122 -4.120 15.607 -14.977 1.00 0.00 C ATOM 1785 CG LEU A 122 -3.367 15.974 -16.304 1.00 0.00 C ATOM 1786 CD1 LEU A 122 -1.882 16.322 -16.058 1.00 0.00 C ATOM 1787 CD2 LEU A 122 -3.471 14.800 -17.290 1.00 0.00 C ATOM 0 H LEU A 122 -2.497 13.645 -15.488 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.676 15.682 -13.375 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -4.960 14.954 -15.214 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.536 16.516 -14.542 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.842 16.862 -16.721 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -1.404 16.569 -17.006 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -1.815 17.177 -15.385 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.377 15.466 -15.609 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.949 15.052 -18.213 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.018 13.912 -16.848 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.520 14.601 -17.510 1.00 0.00 H new ATOM 1799 N ILE A 123 -4.307 12.813 -13.355 1.00 0.00 N ATOM 1800 CA ILE A 123 -5.113 11.895 -12.497 1.00 0.00 C ATOM 1801 C ILE A 123 -4.268 11.596 -11.277 1.00 0.00 C ATOM 1802 O ILE A 123 -4.766 11.529 -10.170 1.00 0.00 O ATOM 1803 CB ILE A 123 -5.374 10.590 -13.259 1.00 0.00 C ATOM 1804 CG1 ILE A 123 -6.343 10.850 -14.460 1.00 0.00 C ATOM 1805 CG2 ILE A 123 -5.986 9.488 -12.309 1.00 0.00 C ATOM 1806 CD1 ILE A 123 -6.616 9.526 -15.191 1.00 0.00 C ATOM 0 H ILE A 123 -3.957 12.391 -14.215 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.069 12.342 -12.223 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.419 10.226 -13.637 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -7.278 11.279 -14.101 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -5.903 11.573 -15.147 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -6.160 8.574 -12.877 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -5.291 9.282 -11.495 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -6.930 9.845 -11.898 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -7.291 9.705 -16.028 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.677 9.116 -15.563 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -7.074 8.817 -14.501 1.00 0.00 H new ATOM 1818 N ASN A 124 -2.962 11.422 -11.486 1.00 0.00 N ATOM 1819 CA ASN A 124 -2.039 11.143 -10.351 1.00 0.00 C ATOM 1820 C ASN A 124 -2.076 12.335 -9.410 1.00 0.00 C ATOM 1821 O ASN A 124 -1.997 12.198 -8.191 1.00 0.00 O ATOM 1822 CB ASN A 124 -0.612 10.956 -10.869 1.00 0.00 C ATOM 1823 CG ASN A 124 0.272 10.387 -9.749 1.00 0.00 C ATOM 1824 OD1 ASN A 124 0.167 10.793 -8.605 1.00 0.00 O ATOM 1825 ND2 ASN A 124 1.143 9.455 -10.029 1.00 0.00 N ATOM 0 H ASN A 124 -2.514 11.465 -12.401 1.00 0.00 H new ATOM 0 HA ASN A 124 -2.348 10.234 -9.836 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -0.611 10.282 -11.725 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -0.211 11.909 -11.213 1.00 0.00 H new ATOM 0 HD21 ASN A 124 1.732 9.070 -9.291 1.00 0.00 H new ATOM 0 HD22 ASN A 124 1.234 9.113 -10.985 1.00 0.00 H new ATOM 1832 N LYS A 125 -2.210 13.516 -9.985 1.00 0.00 N ATOM 1833 CA LYS A 125 -2.267 14.783 -9.153 1.00 0.00 C ATOM 1834 C LYS A 125 -3.712 15.032 -8.669 1.00 0.00 C ATOM 1835 O LYS A 125 -3.941 15.776 -7.714 1.00 0.00 O ATOM 1836 CB LYS A 125 -1.810 15.968 -10.016 1.00 0.00 C ATOM 1837 CG LYS A 125 -0.278 16.009 -10.065 1.00 0.00 C ATOM 1838 CD LYS A 125 0.252 16.889 -8.924 1.00 0.00 C ATOM 1839 CE LYS A 125 1.735 17.216 -9.158 1.00 0.00 C ATOM 1840 NZ LYS A 125 1.885 18.675 -9.415 1.00 0.00 N ATOM 0 H LYS A 125 -2.283 13.662 -10.992 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.614 14.677 -8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -2.214 15.874 -11.024 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.196 16.901 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.126 15.000 -9.977 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.055 16.403 -11.026 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.327 17.811 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.130 16.375 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.324 16.926 -8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 125 2.115 16.645 -10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.888 18.898 -9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.335 18.938 -10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.537 19.210 -8.594 1.00 0.00 H new ATOM 1854 N LYS A 126 -4.689 14.406 -9.318 1.00 0.00 N ATOM 1855 CA LYS A 126 -6.121 14.589 -8.927 1.00 0.00 C ATOM 1856 C LYS A 126 -6.511 13.559 -7.868 1.00 0.00 C ATOM 1857 O LYS A 126 -7.500 13.727 -7.177 1.00 0.00 O ATOM 1858 CB LYS A 126 -6.989 14.455 -10.170 1.00 0.00 C ATOM 1859 CG LYS A 126 -6.995 15.813 -10.885 1.00 0.00 C ATOM 1860 CD LYS A 126 -7.687 15.695 -12.236 1.00 0.00 C ATOM 1861 CE LYS A 126 -6.649 15.623 -13.355 1.00 0.00 C ATOM 1862 NZ LYS A 126 -7.161 16.356 -14.546 1.00 0.00 N ATOM 0 H LYS A 126 -4.541 13.775 -10.105 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.269 15.579 -8.496 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -6.598 13.679 -10.827 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -8.003 14.162 -9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -7.507 16.553 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -5.972 16.164 -11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -8.315 14.804 -12.255 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -8.343 16.551 -12.393 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -5.707 16.059 -13.022 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -6.446 14.584 -13.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -6.916 15.830 -15.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -8.195 16.449 -14.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -6.730 17.302 -14.583 1.00 0.00 H new ATOM 1876 N CYS A 127 -5.691 12.527 -7.694 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.938 11.509 -6.641 1.00 0.00 C ATOM 1878 C CYS A 127 -5.160 11.967 -5.425 1.00 0.00 C ATOM 1879 O CYS A 127 -5.551 11.740 -4.313 1.00 0.00 O ATOM 1880 CB CYS A 127 -5.429 10.152 -7.085 1.00 0.00 C ATOM 1881 SG CYS A 127 -6.417 8.845 -6.318 1.00 0.00 S ATOM 0 H CYS A 127 -4.855 12.361 -8.254 1.00 0.00 H new ATOM 0 HA CYS A 127 -7.003 11.412 -6.432 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -5.482 10.071 -8.171 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.381 10.038 -6.808 1.00 0.00 H new ATOM 0 HG CYS A 127 -6.109 8.751 -5.059 1.00 0.00 H new ATOM 1887 N TYR A 128 -4.045 12.655 -5.666 1.00 0.00 N ATOM 1888 CA TYR A 128 -3.221 13.206 -4.575 1.00 0.00 C ATOM 1889 C TYR A 128 -4.054 14.319 -3.904 1.00 0.00 C ATOM 1890 O TYR A 128 -3.969 14.536 -2.701 1.00 0.00 O ATOM 1891 CB TYR A 128 -1.941 13.775 -5.219 1.00 0.00 C ATOM 1892 CG TYR A 128 -0.867 14.124 -4.210 1.00 0.00 C ATOM 1893 CD1 TYR A 128 -0.739 13.436 -2.984 1.00 0.00 C ATOM 1894 CD2 TYR A 128 0.030 15.137 -4.535 1.00 0.00 C ATOM 1895 CE1 TYR A 128 0.290 13.779 -2.098 1.00 0.00 C ATOM 1896 CE2 TYR A 128 1.056 15.482 -3.648 1.00 0.00 C ATOM 1897 CZ TYR A 128 1.187 14.804 -2.430 1.00 0.00 C ATOM 1898 OH TYR A 128 2.205 15.139 -1.559 1.00 0.00 O ATOM 0 H TYR A 128 -3.687 12.847 -6.601 1.00 0.00 H new ATOM 0 HA TYR A 128 -2.943 12.464 -3.826 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -1.543 13.046 -5.925 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.196 14.667 -5.791 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -1.432 12.648 -2.730 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.066 15.659 -5.476 1.00 0.00 H new ATOM 0 HE1 TYR A 128 0.392 13.254 -1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 128 1.747 16.272 -3.903 1.00 0.00 H new ATOM 0 HH TYR A 128 2.736 15.868 -1.942 1.00 0.00 H new ATOM 1908 N GLU A 129 -4.895 15.008 -4.697 1.00 0.00 N ATOM 1909 CA GLU A 129 -5.781 16.094 -4.131 1.00 0.00 C ATOM 1910 C GLU A 129 -7.058 15.444 -3.546 1.00 0.00 C ATOM 1911 O GLU A 129 -7.590 15.884 -2.527 1.00 0.00 O ATOM 1912 CB GLU A 129 -6.171 17.076 -5.246 1.00 0.00 C ATOM 1913 CG GLU A 129 -4.922 17.820 -5.738 1.00 0.00 C ATOM 1914 CD GLU A 129 -4.713 19.084 -4.902 1.00 0.00 C ATOM 1915 OE1 GLU A 129 -5.445 20.038 -5.111 1.00 0.00 O ATOM 1916 OE2 GLU A 129 -3.824 19.077 -4.067 1.00 0.00 O ATOM 0 H GLU A 129 -4.994 14.855 -5.701 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.248 16.634 -3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -6.635 16.538 -6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.908 17.788 -4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -4.048 17.173 -5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.034 18.082 -6.790 1.00 0.00 H new ATOM 1923 N MET A 130 -7.536 14.378 -4.181 1.00 0.00 N ATOM 1924 CA MET A 130 -8.765 13.654 -3.684 1.00 0.00 C ATOM 1925 C MET A 130 -8.447 13.161 -2.231 1.00 0.00 C ATOM 1926 O MET A 130 -9.239 13.317 -1.287 1.00 0.00 O ATOM 1927 CB MET A 130 -9.020 12.449 -4.647 1.00 0.00 C ATOM 1928 CG MET A 130 -10.527 12.120 -4.770 1.00 0.00 C ATOM 1929 SD MET A 130 -10.731 10.470 -5.481 1.00 0.00 S ATOM 1930 CE MET A 130 -12.454 10.219 -4.986 1.00 0.00 C ATOM 0 H MET A 130 -7.122 13.981 -5.025 1.00 0.00 H new ATOM 0 HA MET A 130 -9.654 14.285 -3.666 1.00 0.00 H new ATOM 0 HB2 MET A 130 -8.617 12.680 -5.633 1.00 0.00 H new ATOM 0 HB3 MET A 130 -8.485 11.572 -4.282 1.00 0.00 H new ATOM 0 HG2 MET A 130 -11.001 12.166 -3.789 1.00 0.00 H new ATOM 0 HG3 MET A 130 -11.021 12.861 -5.398 1.00 0.00 H new ATOM 0 HE1 MET A 130 -12.609 9.172 -4.726 1.00 0.00 H new ATOM 0 HE2 MET A 130 -12.679 10.845 -4.123 1.00 0.00 H new ATOM 0 HE3 MET A 130 -13.113 10.489 -5.811 1.00 0.00 H new ATOM 1940 N ALA A 131 -7.253 12.617 -2.060 1.00 0.00 N ATOM 1941 CA ALA A 131 -6.785 12.137 -0.718 1.00 0.00 C ATOM 1942 C ALA A 131 -6.307 13.322 0.099 1.00 0.00 C ATOM 1943 O ALA A 131 -6.230 13.233 1.305 1.00 0.00 O ATOM 1944 CB ALA A 131 -5.631 11.144 -0.895 1.00 0.00 C ATOM 0 H ALA A 131 -6.576 12.486 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 131 -7.609 11.643 -0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.295 10.799 0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.971 10.292 -1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.805 11.634 -1.410 1.00 0.00 H new ATOM 1950 N SER A 132 -6.001 14.462 -0.546 1.00 0.00 N ATOM 1951 CA SER A 132 -5.568 15.669 0.227 1.00 0.00 C ATOM 1952 C SER A 132 -6.715 16.046 1.144 1.00 0.00 C ATOM 1953 O SER A 132 -6.490 16.528 2.249 1.00 0.00 O ATOM 1954 CB SER A 132 -5.229 16.835 -0.709 1.00 0.00 C ATOM 1955 OG SER A 132 -3.938 16.623 -1.276 1.00 0.00 O ATOM 0 H SER A 132 -6.038 14.586 -1.558 1.00 0.00 H new ATOM 0 HA SER A 132 -4.666 15.447 0.798 1.00 0.00 H new ATOM 0 HB2 SER A 132 -5.977 16.913 -1.498 1.00 0.00 H new ATOM 0 HB3 SER A 132 -5.247 17.776 -0.159 1.00 0.00 H new ATOM 0 HG SER A 132 -3.857 15.690 -1.564 1.00 0.00 H new ATOM 1961 N HIS A 133 -7.974 15.781 0.718 1.00 0.00 N ATOM 1962 CA HIS A 133 -9.115 16.083 1.625 1.00 0.00 C ATOM 1963 C HIS A 133 -9.232 14.964 2.611 1.00 0.00 C ATOM 1964 O HIS A 133 -9.477 15.208 3.764 1.00 0.00 O ATOM 1965 CB HIS A 133 -10.450 16.253 0.923 1.00 0.00 C ATOM 1966 CG HIS A 133 -11.327 17.009 1.878 1.00 0.00 C ATOM 1967 ND1 HIS A 133 -11.421 18.346 2.175 1.00 0.00 N flip ATOM 1968 CD2 HIS A 133 -12.214 16.365 2.730 1.00 0.00 C flip ATOM 1969 CE1 HIS A 133 -12.350 18.533 3.197 1.00 0.00 C flip ATOM 1970 NE2 HIS A 133 -12.797 17.307 3.496 1.00 0.00 N flip ATOM 0 H HIS A 133 -8.221 15.384 -0.189 1.00 0.00 H new ATOM 0 HA HIS A 133 -8.897 17.041 2.096 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -10.332 16.799 -0.013 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -10.886 15.285 0.675 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -12.402 15.302 2.771 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -12.646 19.467 3.651 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -13.493 17.111 4.215 1.00 0.00 H new ATOM 1978 N LEU A 134 -9.043 13.706 2.171 1.00 0.00 N ATOM 1979 CA LEU A 134 -9.131 12.559 3.146 1.00 0.00 C ATOM 1980 C LEU A 134 -8.029 12.666 4.202 1.00 0.00 C ATOM 1981 O LEU A 134 -8.122 12.065 5.268 1.00 0.00 O ATOM 1982 CB LEU A 134 -9.057 11.248 2.400 1.00 0.00 C ATOM 1983 CG LEU A 134 -10.428 10.988 1.765 1.00 0.00 C ATOM 1984 CD1 LEU A 134 -10.422 11.412 0.304 1.00 0.00 C ATOM 1985 CD2 LEU A 134 -10.774 9.509 1.875 1.00 0.00 C ATOM 0 H LEU A 134 -8.839 13.447 1.206 1.00 0.00 H new ATOM 0 HA LEU A 134 -10.088 12.602 3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -8.283 11.289 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -8.791 10.438 3.079 1.00 0.00 H new ATOM 0 HG LEU A 134 -11.179 11.573 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -11.402 11.222 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -10.194 12.476 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -9.666 10.843 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -11.749 9.329 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -10.019 8.919 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -10.802 9.219 2.925 1.00 0.00 H new ATOM 1997 N ARG A 135 -7.034 13.480 3.944 1.00 0.00 N ATOM 1998 CA ARG A 135 -5.953 13.721 4.952 1.00 0.00 C ATOM 1999 C ARG A 135 -6.474 14.827 5.848 1.00 0.00 C ATOM 2000 O ARG A 135 -6.350 14.779 7.065 1.00 0.00 O ATOM 2001 CB ARG A 135 -4.663 14.168 4.257 1.00 0.00 C ATOM 2002 CG ARG A 135 -3.806 12.937 3.908 1.00 0.00 C ATOM 2003 CD ARG A 135 -2.629 12.832 4.884 1.00 0.00 C ATOM 2004 NE ARG A 135 -3.033 12.025 6.070 1.00 0.00 N ATOM 2005 CZ ARG A 135 -2.759 10.747 6.116 1.00 0.00 C ATOM 2006 NH1 ARG A 135 -3.506 9.898 5.466 1.00 0.00 N ATOM 2007 NH2 ARG A 135 -1.737 10.322 6.809 1.00 0.00 N ATOM 0 H ARG A 135 -6.923 13.993 3.069 1.00 0.00 H new ATOM 0 HA ARG A 135 -5.718 12.817 5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -4.901 14.725 3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -4.103 14.840 4.907 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -4.413 12.033 3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -3.437 13.017 2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -1.775 12.369 4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -2.315 13.827 5.199 1.00 0.00 H new ATOM 0 HE ARG A 135 -3.523 12.470 6.846 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -4.302 10.231 4.923 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -3.294 8.901 5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -1.152 10.987 7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -1.524 9.325 6.844 1.00 0.00 H new ATOM 2021 N ARG A 136 -7.133 15.804 5.233 1.00 0.00 N ATOM 2022 CA ARG A 136 -7.768 16.912 6.001 1.00 0.00 C ATOM 2023 C ARG A 136 -9.094 16.397 6.614 1.00 0.00 C ATOM 2024 O ARG A 136 -9.767 17.109 7.342 1.00 0.00 O ATOM 2025 CB ARG A 136 -8.071 18.079 5.052 1.00 0.00 C ATOM 2026 CG ARG A 136 -6.784 18.864 4.761 1.00 0.00 C ATOM 2027 CD ARG A 136 -6.945 19.663 3.457 1.00 0.00 C ATOM 2028 NE ARG A 136 -7.113 21.107 3.779 1.00 0.00 N ATOM 2029 CZ ARG A 136 -6.938 22.012 2.853 1.00 0.00 C ATOM 2030 NH1 ARG A 136 -5.749 22.505 2.640 1.00 0.00 N ATOM 2031 NH2 ARG A 136 -7.953 22.424 2.140 1.00 0.00 N ATOM 0 H ARG A 136 -7.250 15.867 4.222 1.00 0.00 H new ATOM 0 HA ARG A 136 -7.097 17.249 6.791 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -8.495 17.702 4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -8.816 18.738 5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -6.565 19.540 5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -5.940 18.179 4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -6.072 19.520 2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -7.809 19.300 2.900 1.00 0.00 H new ATOM 0 HE ARG A 136 -7.366 21.391 4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -4.957 22.184 3.196 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -5.612 23.212 1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -8.883 22.039 2.306 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -7.815 23.131 1.417 1.00 0.00 H new ATOM 2045 N SER A 137 -9.459 15.148 6.310 1.00 0.00 N ATOM 2046 CA SER A 137 -10.703 14.544 6.835 1.00 0.00 C ATOM 2047 C SER A 137 -10.415 13.904 8.212 1.00 0.00 C ATOM 2048 O SER A 137 -11.330 13.591 8.955 1.00 0.00 O ATOM 2049 CB SER A 137 -11.193 13.480 5.813 1.00 0.00 C ATOM 2050 OG SER A 137 -10.478 12.257 5.986 1.00 0.00 O ATOM 0 H SER A 137 -8.917 14.531 5.705 1.00 0.00 H new ATOM 0 HA SER A 137 -11.480 15.297 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 137 -12.261 13.306 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 137 -11.052 13.850 4.797 1.00 0.00 H new ATOM 0 HG SER A 137 -9.541 12.453 6.194 1.00 0.00 H new ATOM 2056 N GLN A 138 -9.123 13.705 8.551 1.00 0.00 N ATOM 2057 CA GLN A 138 -8.746 13.083 9.883 1.00 0.00 C ATOM 2058 C GLN A 138 -8.997 11.568 9.827 1.00 0.00 C ATOM 2059 O GLN A 138 -9.244 10.927 10.846 1.00 0.00 O ATOM 2060 CB GLN A 138 -9.573 13.714 11.033 1.00 0.00 C ATOM 2061 CG GLN A 138 -8.708 13.806 12.293 1.00 0.00 C ATOM 2062 CD GLN A 138 -9.594 13.683 13.540 1.00 0.00 C ATOM 2063 OE1 GLN A 138 -9.761 14.639 14.274 1.00 0.00 O ATOM 2064 NE2 GLN A 138 -10.177 12.544 13.809 1.00 0.00 N ATOM 0 H GLN A 138 -8.331 13.950 7.957 1.00 0.00 H new ATOM 0 HA GLN A 138 -7.690 13.272 10.076 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -9.920 14.706 10.744 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -10.460 13.111 11.231 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -7.958 13.015 12.289 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -8.171 14.755 12.309 1.00 0.00 H new ATOM 0 HE21 GLN A 138 -10.038 11.742 13.194 1.00 0.00 H new ATOM 0 HE22 GLN A 138 -10.771 12.457 14.634 1.00 0.00 H new ATOM 2073 N TYR A 139 -8.923 10.990 8.633 1.00 0.00 N ATOM 2074 CA TYR A 139 -9.143 9.518 8.473 1.00 0.00 C ATOM 2075 C TYR A 139 -7.838 8.861 7.999 1.00 0.00 C ATOM 2076 O TYR A 139 -7.517 8.987 6.826 1.00 0.00 O ATOM 2077 CB TYR A 139 -10.251 9.278 7.441 1.00 0.00 C ATOM 2078 CG TYR A 139 -11.589 9.199 8.138 1.00 0.00 C ATOM 2079 CD1 TYR A 139 -11.827 8.201 9.088 1.00 0.00 C ATOM 2080 CD2 TYR A 139 -12.594 10.124 7.829 1.00 0.00 C ATOM 2081 CE1 TYR A 139 -13.069 8.127 9.729 1.00 0.00 C ATOM 2082 CE2 TYR A 139 -13.835 10.050 8.470 1.00 0.00 C ATOM 2083 CZ TYR A 139 -14.072 9.052 9.420 1.00 0.00 C ATOM 2084 OH TYR A 139 -15.297 8.979 10.053 1.00 0.00 O ATOM 2085 OXT TYR A 139 -7.177 8.254 8.823 1.00 0.00 O ATOM 0 H TYR A 139 -8.718 11.487 7.766 1.00 0.00 H new ATOM 0 HA TYR A 139 -9.442 9.083 9.427 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -10.259 10.085 6.708 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -10.059 8.354 6.896 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.052 7.487 9.327 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -12.411 10.895 7.095 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -13.253 7.356 10.462 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -14.610 10.763 8.231 1.00 0.00 H new ATOM 0 HH TYR A 139 -15.879 9.696 9.724 1.00 0.00 H new