USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1376 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 100 LYS NZ :NH3+ 162:sc= 0 (180deg=0) USER MOD Set 1.2: A 104 ASN : amide:sc= -1.94! C(o=-1.9!,f=-7.2!) USER MOD Set 2.1: A 88 SER OG : rot 19:sc= 0.762! USER MOD Set 2.2: A 135 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 69 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 70 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.1!) USER MOD Set 4.1: A 8 SER OG : rot 107:sc= 1.07 USER MOD Set 4.2: A 10 TYR OH : rot 180:sc= -0.255 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0737 X(o=-0.074,f=-0.11) USER MOD Single : A 16 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.3!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -97:sc= 1.11 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 154:sc= -2.03! USER MOD Single : A 31 SER OG : rot -33:sc= -0.177 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 1:sc= 0.548 USER MOD Single : A 36 CYS SG : rot 19:sc= -2.75! USER MOD Single : A 37 ASN : amide:sc= -4.85! K(o=-4.8!,f=-0.5) USER MOD Single : A 38 SER OG : rot 59:sc= 1.21 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc=-0.00461 USER MOD Single : A 53 ASN : amide:sc= -0.339 K(o=-0.34,f=-2.8!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.254 USER MOD Single : A 57 HIS : no HD1:sc= 0.344 K(o=0.34,f=-5.5!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 90:sc= -1.52 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.3) USER MOD Single : A 81 SER OG : rot -175:sc= -0.923! USER MOD Single : A 82 CYS SG : rot 35:sc= -0.107 USER MOD Single : A 86 HIS : no HD1:sc= -1.03 K(o=-1,f=-2.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.204 USER MOD Single : A 92 GLN : amide:sc= -0.0509 X(o=-0.051,f=-0.52) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -7.04! C(o=-7!,f=-12!) USER MOD Single : A 106 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.24) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0402 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 150:sc= -0.504 USER MOD Single : A 116 SER OG : rot 35:sc= -0.122 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.16) USER MOD Single : A 122 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.52) USER MOD Single : A 127 HIS : no HD1:sc= -0.478 K(o=-0.48,f=-2.6!) USER MOD Single : A 128 SER OG : rot 131:sc= -0.0732 USER MOD Single : A 129 CYS SG : rot 43:sc= -0.719 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 0:sc= -0.861 USER MOD Single : A 143 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.53) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.67) USER MOD Single : A 149 TYR OH : rot 150:sc= -0.0111 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 169:sc=-0.000223 (180deg=-0.121) USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ -157:sc= -0.0221 (180deg=-0.391) USER MOD Single : A 166 SER OG : rot 180:sc= 0.00894 USER MOD Single : A 170 GLN : amide:sc= -0.0505 K(o=-0.05,f=-2.1!) USER MOD Single : A 171 SER OG : rot -148:sc= -1.18! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 21.551 -12.798 7.959 1.00 4.50 N ATOM 2 CA SER A 1 20.504 -12.706 6.903 1.00 4.52 C ATOM 3 C SER A 1 20.368 -14.058 6.198 1.00 3.57 C ATOM 4 O SER A 1 21.014 -14.316 5.201 1.00 3.03 O ATOM 5 CB SER A 1 20.900 -11.637 5.883 1.00 4.81 C ATOM 6 OG SER A 1 19.967 -11.643 4.809 1.00 5.28 O ATOM 0 H1 SER A 1 21.643 -11.879 8.438 1.00 4.50 H new ATOM 0 H2 SER A 1 21.281 -13.524 8.653 1.00 4.50 H new ATOM 0 H3 SER A 1 22.460 -13.055 7.525 1.00 4.50 H new ATOM 0 HA SER A 1 19.551 -12.437 7.360 1.00 4.52 H new ATOM 0 HB2 SER A 1 20.920 -10.656 6.357 1.00 4.81 H new ATOM 0 HB3 SER A 1 21.905 -11.830 5.508 1.00 4.81 H new ATOM 0 HG SER A 1 20.217 -10.958 4.154 1.00 5.28 H new ATOM 14 N LYS A 2 19.533 -14.923 6.707 1.00 3.60 N ATOM 15 CA LYS A 2 19.359 -16.255 6.063 1.00 3.08 C ATOM 16 C LYS A 2 18.624 -16.081 4.732 1.00 2.11 C ATOM 17 O LYS A 2 18.934 -15.198 3.958 1.00 2.12 O ATOM 18 CB LYS A 2 18.550 -17.168 6.986 1.00 3.28 C ATOM 19 CG LYS A 2 19.059 -17.025 8.423 1.00 3.95 C ATOM 20 CD LYS A 2 20.556 -17.336 8.471 1.00 4.66 C ATOM 21 CE LYS A 2 20.983 -17.579 9.920 1.00 5.66 C ATOM 22 NZ LYS A 2 22.430 -17.931 9.958 1.00 5.96 N ATOM 0 H LYS A 2 18.965 -14.765 7.539 1.00 3.60 H new ATOM 0 HA LYS A 2 20.335 -16.705 5.881 1.00 3.08 H new ATOM 0 HB2 LYS A 2 17.493 -16.908 6.936 1.00 3.28 H new ATOM 0 HB3 LYS A 2 18.639 -18.204 6.659 1.00 3.28 H new ATOM 0 HG2 LYS A 2 18.876 -16.013 8.785 1.00 3.95 H new ATOM 0 HG3 LYS A 2 18.515 -17.703 9.081 1.00 3.95 H new ATOM 0 HD2 LYS A 2 20.775 -18.215 7.864 1.00 4.66 H new ATOM 0 HD3 LYS A 2 21.124 -16.507 8.048 1.00 4.66 H new ATOM 0 HE2 LYS A 2 20.799 -16.687 10.519 1.00 5.66 H new ATOM 0 HE3 LYS A 2 20.390 -18.384 10.355 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 22.721 -18.096 10.943 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 22.592 -18.793 9.399 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 22.988 -17.150 9.559 1.00 5.96 H new ATOM 36 N THR A 3 17.633 -16.888 4.469 1.00 1.72 N ATOM 37 CA THR A 3 16.872 -16.725 3.198 1.00 1.18 C ATOM 38 C THR A 3 15.852 -15.599 3.387 1.00 1.02 C ATOM 39 O THR A 3 15.250 -15.479 4.436 1.00 1.63 O ATOM 40 CB THR A 3 16.094 -18.000 2.868 1.00 1.48 C ATOM 41 OG1 THR A 3 15.028 -17.686 1.983 1.00 2.13 O ATOM 42 CG2 THR A 3 15.530 -18.606 4.155 1.00 2.22 C ATOM 0 H THR A 3 17.319 -17.647 5.074 1.00 1.72 H new ATOM 0 HA THR A 3 17.574 -16.506 2.394 1.00 1.18 H new ATOM 0 HB THR A 3 16.761 -18.720 2.394 1.00 1.48 H new ATOM 0 HG1 THR A 3 14.529 -18.502 1.769 1.00 2.13 H new ATOM 0 HG21 THR A 3 14.976 -19.514 3.917 1.00 2.22 H new ATOM 0 HG22 THR A 3 16.349 -18.847 4.833 1.00 2.22 H new ATOM 0 HG23 THR A 3 14.863 -17.889 4.633 1.00 2.22 H new ATOM 50 N GLY A 4 15.638 -14.773 2.399 1.00 0.52 N ATOM 51 CA GLY A 4 14.640 -13.683 2.594 1.00 0.30 C ATOM 52 C GLY A 4 14.573 -12.739 1.392 1.00 0.41 C ATOM 53 O GLY A 4 15.270 -12.890 0.408 1.00 0.81 O ATOM 0 H GLY A 4 16.097 -14.802 1.489 1.00 0.52 H new ATOM 0 HA2 GLY A 4 13.656 -14.120 2.766 1.00 0.30 H new ATOM 0 HA3 GLY A 4 14.896 -13.113 3.487 1.00 0.30 H new ATOM 57 N GLY A 5 13.727 -11.752 1.502 1.00 0.01 N ATOM 58 CA GLY A 5 13.569 -10.746 0.413 1.00 0.01 C ATOM 59 C GLY A 5 14.715 -9.737 0.488 1.00 0.01 C ATOM 60 O GLY A 5 15.340 -9.572 1.517 1.00 0.01 O ATOM 0 H GLY A 5 13.129 -11.598 2.314 1.00 0.01 H new ATOM 0 HA2 GLY A 5 13.568 -11.241 -0.558 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.612 -10.234 0.511 1.00 0.01 H new ATOM 64 N LYS A 6 15.003 -9.060 -0.593 1.00 0.00 N ATOM 65 CA LYS A 6 16.118 -8.061 -0.572 1.00 0.01 C ATOM 66 C LYS A 6 15.824 -6.924 -1.546 1.00 0.01 C ATOM 67 O LYS A 6 15.398 -7.141 -2.670 1.00 0.00 O ATOM 68 CB LYS A 6 17.439 -8.733 -0.955 1.00 0.02 C ATOM 69 CG LYS A 6 18.609 -7.823 -0.568 1.00 0.02 C ATOM 70 CD LYS A 6 19.881 -8.283 -1.287 1.00 0.02 C ATOM 71 CE LYS A 6 20.143 -9.761 -0.982 1.00 0.02 C ATOM 72 NZ LYS A 6 21.554 -10.096 -1.332 1.00 0.02 N ATOM 0 H LYS A 6 14.519 -9.153 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 6 16.201 -7.657 0.437 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.530 -9.694 -0.449 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.460 -8.933 -2.026 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.383 -6.790 -0.834 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.760 -7.848 0.511 1.00 0.02 H new ATOM 0 HD2 LYS A 6 19.775 -8.137 -2.362 1.00 0.02 H new ATOM 0 HD3 LYS A 6 20.730 -7.680 -0.966 1.00 0.02 H new ATOM 0 HE2 LYS A 6 19.960 -9.964 0.073 1.00 0.02 H new ATOM 0 HE3 LYS A 6 19.457 -10.388 -1.551 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 21.734 -11.099 -1.126 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 21.713 -9.917 -2.344 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 22.200 -9.506 -0.771 1.00 0.02 H new ATOM 86 N ILE A 7 16.082 -5.708 -1.115 1.00 0.02 N ATOM 87 CA ILE A 7 15.858 -4.508 -1.979 1.00 0.00 C ATOM 88 C ILE A 7 17.117 -3.633 -1.963 1.00 0.02 C ATOM 89 O ILE A 7 17.755 -3.472 -0.941 1.00 0.01 O ATOM 90 CB ILE A 7 14.637 -3.735 -1.471 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.532 -2.386 -2.191 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.768 -3.501 0.033 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.183 -1.739 -1.868 1.00 0.02 C ATOM 0 H ILE A 7 16.444 -5.497 -0.185 1.00 0.02 H new ATOM 0 HA ILE A 7 15.664 -4.813 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 7 13.739 -4.318 -1.673 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.346 -1.731 -1.879 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.631 -2.527 -3.267 1.00 0.02 H new ATOM 0 HG21 ILE A 7 13.898 -2.951 0.393 1.00 0.01 H new ATOM 0 HG22 ILE A 7 14.828 -4.461 0.547 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.671 -2.924 0.234 1.00 0.01 H new ATOM 0 HD11 ILE A 7 13.108 -0.780 -2.380 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.377 -2.392 -2.202 1.00 0.02 H new ATOM 0 HD13 ILE A 7 13.102 -1.584 -0.792 1.00 0.02 H new ATOM 105 N SER A 8 17.473 -3.062 -3.093 1.00 0.02 N ATOM 106 CA SER A 8 18.690 -2.183 -3.166 1.00 0.02 C ATOM 107 C SER A 8 18.296 -0.781 -3.642 1.00 0.01 C ATOM 108 O SER A 8 17.628 -0.620 -4.642 1.00 0.02 O ATOM 109 CB SER A 8 19.710 -2.781 -4.139 1.00 0.30 C ATOM 110 OG SER A 8 20.987 -2.207 -3.889 1.00 0.39 O ATOM 0 H SER A 8 16.970 -3.168 -3.974 1.00 0.02 H new ATOM 0 HA SER A 8 19.134 -2.116 -2.173 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.755 -3.863 -4.018 1.00 0.30 H new ATOM 0 HB3 SER A 8 19.406 -2.587 -5.168 1.00 0.30 H new ATOM 0 HG SER A 8 21.561 -2.866 -3.445 1.00 0.39 H new ATOM 116 N PHE A 9 18.728 0.236 -2.931 1.00 0.02 N ATOM 117 CA PHE A 9 18.414 1.649 -3.322 1.00 0.01 C ATOM 118 C PHE A 9 19.700 2.336 -3.805 1.00 0.01 C ATOM 119 O PHE A 9 20.760 2.136 -3.243 1.00 0.02 O ATOM 120 CB PHE A 9 17.870 2.411 -2.106 1.00 0.02 C ATOM 121 CG PHE A 9 16.908 1.539 -1.332 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.399 0.526 -0.501 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.527 1.753 -1.431 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.512 -0.275 0.226 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.640 0.953 -0.702 1.00 0.02 C ATOM 126 CZ PHE A 9 15.132 -0.061 0.127 1.00 0.02 C ATOM 0 H PHE A 9 19.292 0.145 -2.086 1.00 0.02 H new ATOM 0 HA PHE A 9 17.669 1.647 -4.117 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.694 2.718 -1.461 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.366 3.320 -2.433 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.464 0.362 -0.421 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.147 2.536 -2.070 1.00 0.01 H new ATOM 0 HE1 PHE A 9 16.892 -1.059 0.864 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.576 1.118 -0.779 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.448 -0.678 0.690 1.00 0.02 H new ATOM 136 N TYR A 10 19.622 3.142 -4.843 1.00 0.02 N ATOM 137 CA TYR A 10 20.846 3.841 -5.366 1.00 0.01 C ATOM 138 C TYR A 10 20.615 5.354 -5.354 1.00 0.02 C ATOM 139 O TYR A 10 19.538 5.834 -5.662 1.00 0.01 O ATOM 140 CB TYR A 10 21.112 3.383 -6.801 1.00 0.02 C ATOM 141 CG TYR A 10 21.028 1.876 -6.877 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.781 1.239 -6.821 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.196 1.114 -7.011 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.703 -0.156 -6.897 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.117 -0.282 -7.087 1.00 0.02 C ATOM 146 CZ TYR A 10 20.871 -0.916 -7.030 1.00 0.00 C ATOM 147 OH TYR A 10 20.794 -2.292 -7.104 1.00 0.02 O ATOM 0 H TYR A 10 18.762 3.346 -5.351 1.00 0.02 H new ATOM 0 HA TYR A 10 21.702 3.599 -4.736 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.385 3.832 -7.477 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.097 3.719 -7.124 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.880 1.825 -6.719 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.158 1.603 -7.056 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.742 -0.646 -6.853 1.00 0.02 H new ATOM 0 HE2 TYR A 10 23.018 -0.869 -7.190 1.00 0.02 H new ATOM 0 HH TYR A 10 21.695 -2.666 -7.195 1.00 0.02 H new ATOM 157 N GLU A 11 21.605 6.113 -4.963 1.00 0.00 N ATOM 158 CA GLU A 11 21.421 7.590 -4.887 1.00 0.02 C ATOM 159 C GLU A 11 21.277 8.214 -6.276 1.00 0.03 C ATOM 160 O GLU A 11 20.651 9.247 -6.418 1.00 0.03 O ATOM 161 CB GLU A 11 22.626 8.219 -4.187 1.00 0.00 C ATOM 162 CG GLU A 11 22.706 7.708 -2.749 1.00 0.00 C ATOM 163 CD GLU A 11 23.662 8.590 -1.944 1.00 0.02 C ATOM 164 OE1 GLU A 11 24.322 9.419 -2.549 1.00 0.02 O ATOM 165 OE2 GLU A 11 23.720 8.422 -0.736 1.00 0.01 O ATOM 0 H GLU A 11 22.529 5.775 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 11 20.506 7.782 -4.326 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.542 7.971 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.537 9.305 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.716 7.717 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.052 6.675 -2.738 1.00 0.00 H new ATOM 172 N ASP A 12 21.837 7.616 -7.306 1.00 0.02 N ATOM 173 CA ASP A 12 21.709 8.208 -8.679 1.00 0.01 C ATOM 174 C ASP A 12 20.888 7.279 -9.576 1.00 0.02 C ATOM 175 O ASP A 12 20.578 6.157 -9.226 1.00 0.02 O ATOM 176 CB ASP A 12 23.101 8.397 -9.295 1.00 0.01 C ATOM 177 CG ASP A 12 23.006 9.331 -10.504 1.00 0.01 C ATOM 178 OD1 ASP A 12 22.673 10.488 -10.308 1.00 0.02 O ATOM 179 OD2 ASP A 12 23.268 8.874 -11.604 1.00 0.03 O ATOM 0 H ASP A 12 22.373 6.750 -7.255 1.00 0.02 H new ATOM 0 HA ASP A 12 21.208 9.173 -8.599 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.784 8.813 -8.554 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.509 7.433 -9.599 1.00 0.01 H new ATOM 184 N ARG A 13 20.537 7.763 -10.731 1.00 0.02 N ATOM 185 CA ARG A 13 19.728 6.959 -11.693 1.00 0.02 C ATOM 186 C ARG A 13 20.604 5.890 -12.355 1.00 0.00 C ATOM 187 O ARG A 13 21.819 5.962 -12.344 1.00 0.02 O ATOM 188 CB ARG A 13 19.178 7.903 -12.765 1.00 0.00 C ATOM 189 CG ARG A 13 18.014 8.713 -12.190 1.00 0.01 C ATOM 190 CD ARG A 13 17.546 9.742 -13.221 1.00 0.02 C ATOM 191 NE ARG A 13 18.666 10.673 -13.535 1.00 0.03 N ATOM 192 CZ ARG A 13 18.599 11.443 -14.587 1.00 0.02 C ATOM 193 NH1 ARG A 13 17.548 11.399 -15.362 1.00 0.02 N ATOM 194 NH2 ARG A 13 19.583 12.254 -14.866 1.00 0.02 N ATOM 0 H ARG A 13 20.779 8.698 -11.058 1.00 0.02 H new ATOM 0 HA ARG A 13 18.912 6.464 -11.166 1.00 0.02 H new ATOM 0 HB2 ARG A 13 19.965 8.574 -13.111 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.843 7.331 -13.630 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.191 8.049 -11.925 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.325 9.216 -11.274 1.00 0.01 H new ATOM 0 HD2 ARG A 13 17.212 9.238 -14.128 1.00 0.02 H new ATOM 0 HD3 ARG A 13 16.693 10.299 -12.834 1.00 0.02 H new ATOM 0 HE ARG A 13 19.485 10.709 -12.928 1.00 0.03 H new ATOM 0 HH11 ARG A 13 16.780 10.763 -15.145 1.00 0.02 H new ATOM 0 HH12 ARG A 13 17.495 12.000 -16.184 1.00 0.02 H new ATOM 0 HH21 ARG A 13 20.404 12.286 -14.262 1.00 0.02 H new ATOM 0 HH22 ARG A 13 19.531 12.856 -15.688 1.00 0.02 H new ATOM 208 N ASN A 14 19.979 4.893 -12.928 1.00 0.02 N ATOM 209 CA ASN A 14 20.731 3.803 -13.614 1.00 0.02 C ATOM 210 C ASN A 14 21.618 3.055 -12.621 1.00 0.02 C ATOM 211 O ASN A 14 22.709 2.623 -12.934 1.00 0.02 O ATOM 212 CB ASN A 14 21.567 4.409 -14.745 1.00 0.26 C ATOM 213 CG ASN A 14 21.984 3.310 -15.726 1.00 0.12 C ATOM 214 OD1 ASN A 14 21.149 2.704 -16.367 1.00 0.74 O ATOM 215 ND2 ASN A 14 23.249 3.026 -15.872 1.00 0.46 N ATOM 0 H ASN A 14 18.965 4.788 -12.949 1.00 0.02 H new ATOM 0 HA ASN A 14 20.028 3.084 -14.034 1.00 0.02 H new ATOM 0 HB2 ASN A 14 20.992 5.175 -15.265 1.00 0.26 H new ATOM 0 HB3 ASN A 14 22.451 4.898 -14.335 1.00 0.26 H new ATOM 0 HD21 ASN A 14 23.536 2.296 -16.524 1.00 0.46 H new ATOM 0 HD22 ASN A 14 23.951 3.534 -15.334 1.00 0.46 H new ATOM 222 N PHE A 15 21.126 2.926 -11.416 1.00 0.02 N ATOM 223 CA PHE A 15 21.858 2.220 -10.321 1.00 0.02 C ATOM 224 C PHE A 15 23.293 2.727 -10.204 1.00 0.00 C ATOM 225 O PHE A 15 24.223 1.968 -10.011 1.00 0.02 O ATOM 226 CB PHE A 15 21.840 0.693 -10.532 1.00 0.02 C ATOM 227 CG PHE A 15 22.178 0.337 -11.959 1.00 0.02 C ATOM 228 CD1 PHE A 15 23.511 0.121 -12.328 1.00 0.02 C ATOM 229 CD2 PHE A 15 21.160 0.224 -12.913 1.00 0.02 C ATOM 230 CE1 PHE A 15 23.826 -0.209 -13.651 1.00 0.02 C ATOM 231 CE2 PHE A 15 21.474 -0.105 -14.237 1.00 0.02 C ATOM 232 CZ PHE A 15 22.807 -0.322 -14.606 1.00 0.02 C ATOM 0 H PHE A 15 20.216 3.294 -11.137 1.00 0.02 H new ATOM 0 HA PHE A 15 21.341 2.439 -9.387 1.00 0.02 H new ATOM 0 HB2 PHE A 15 22.554 0.221 -9.857 1.00 0.02 H new ATOM 0 HB3 PHE A 15 20.855 0.300 -10.279 1.00 0.02 H new ATOM 0 HD1 PHE A 15 24.296 0.209 -11.592 1.00 0.02 H new ATOM 0 HD2 PHE A 15 20.132 0.391 -12.628 1.00 0.02 H new ATOM 0 HE1 PHE A 15 24.854 -0.377 -13.936 1.00 0.02 H new ATOM 0 HE2 PHE A 15 20.689 -0.191 -14.973 1.00 0.02 H new ATOM 0 HZ PHE A 15 23.050 -0.577 -15.627 1.00 0.02 H new ATOM 242 N GLN A 16 23.464 4.022 -10.283 1.00 0.02 N ATOM 243 CA GLN A 16 24.823 4.631 -10.140 1.00 0.02 C ATOM 244 C GLN A 16 24.864 5.379 -8.801 1.00 0.02 C ATOM 245 O GLN A 16 23.839 5.617 -8.188 1.00 0.02 O ATOM 246 CB GLN A 16 25.060 5.621 -11.285 1.00 0.02 C ATOM 247 CG GLN A 16 25.441 4.856 -12.553 1.00 0.00 C ATOM 248 CD GLN A 16 26.870 4.326 -12.421 1.00 0.00 C ATOM 249 OE1 GLN A 16 27.724 4.984 -11.860 1.00 0.02 O ATOM 250 NE2 GLN A 16 27.169 3.156 -12.917 1.00 0.02 N ATOM 0 H GLN A 16 22.711 4.692 -10.442 1.00 0.02 H new ATOM 0 HA GLN A 16 25.594 3.861 -10.172 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.161 6.212 -11.461 1.00 0.02 H new ATOM 0 HB3 GLN A 16 25.853 6.319 -11.017 1.00 0.02 H new ATOM 0 HG2 GLN A 16 24.749 4.029 -12.713 1.00 0.00 H new ATOM 0 HG3 GLN A 16 25.363 5.510 -13.422 1.00 0.00 H new ATOM 0 HE21 GLN A 16 26.453 2.603 -13.388 1.00 0.02 H new ATOM 0 HE22 GLN A 16 28.119 2.794 -12.834 1.00 0.02 H new ATOM 259 N GLY A 17 26.027 5.750 -8.332 1.00 0.03 N ATOM 260 CA GLY A 17 26.105 6.481 -7.031 1.00 0.03 C ATOM 261 C GLY A 17 26.234 5.495 -5.863 1.00 0.02 C ATOM 262 O GLY A 17 26.461 4.316 -6.050 1.00 0.02 O ATOM 0 H GLY A 17 26.922 5.580 -8.790 1.00 0.03 H new ATOM 0 HA2 GLY A 17 26.960 7.157 -7.039 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.214 7.095 -6.899 1.00 0.03 H new ATOM 266 N ARG A 18 26.074 5.973 -4.658 1.00 0.00 N ATOM 267 CA ARG A 18 26.167 5.079 -3.466 1.00 0.02 C ATOM 268 C ARG A 18 24.962 4.135 -3.457 1.00 0.02 C ATOM 269 O ARG A 18 23.870 4.503 -3.846 1.00 0.02 O ATOM 270 CB ARG A 18 26.173 5.938 -2.200 1.00 0.79 C ATOM 271 CG ARG A 18 26.075 5.038 -0.966 1.00 1.49 C ATOM 272 CD ARG A 18 26.446 5.841 0.283 1.00 1.42 C ATOM 273 NE ARG A 18 25.689 7.124 0.288 1.00 2.07 N ATOM 274 CZ ARG A 18 25.617 7.836 1.379 1.00 2.35 C ATOM 275 NH1 ARG A 18 26.211 7.424 2.468 1.00 2.53 N ATOM 276 NH2 ARG A 18 24.954 8.960 1.383 1.00 2.76 N ATOM 0 H ARG A 18 25.881 6.952 -4.446 1.00 0.00 H new ATOM 0 HA ARG A 18 27.083 4.490 -3.504 1.00 0.02 H new ATOM 0 HB2 ARG A 18 27.085 6.533 -2.157 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.337 6.637 -2.219 1.00 0.79 H new ATOM 0 HG2 ARG A 18 25.064 4.643 -0.870 1.00 1.49 H new ATOM 0 HG3 ARG A 18 26.742 4.183 -1.073 1.00 1.49 H new ATOM 0 HD2 ARG A 18 26.216 5.266 1.180 1.00 1.42 H new ATOM 0 HD3 ARG A 18 27.518 6.038 0.297 1.00 1.42 H new ATOM 0 HE ARG A 18 25.227 7.446 -0.562 1.00 2.07 H new ATOM 0 HH11 ARG A 18 26.731 6.546 2.465 1.00 2.53 H new ATOM 0 HH12 ARG A 18 26.155 7.980 3.321 1.00 2.53 H new ATOM 0 HH21 ARG A 18 24.492 9.282 0.533 1.00 2.76 H new ATOM 0 HH22 ARG A 18 24.898 9.516 2.236 1.00 2.76 H new ATOM 290 N ARG A 19 25.164 2.906 -3.037 1.00 0.02 N ATOM 291 CA ARG A 19 24.051 1.902 -3.021 1.00 0.02 C ATOM 292 C ARG A 19 23.867 1.332 -1.609 1.00 0.02 C ATOM 293 O ARG A 19 24.803 1.220 -0.843 1.00 0.02 O ATOM 294 CB ARG A 19 24.417 0.755 -3.980 1.00 0.85 C ATOM 295 CG ARG A 19 23.419 -0.424 -3.843 1.00 1.31 C ATOM 296 CD ARG A 19 23.978 -1.515 -2.908 1.00 1.34 C ATOM 297 NE ARG A 19 24.782 -2.483 -3.704 1.00 1.50 N ATOM 298 CZ ARG A 19 25.591 -3.311 -3.100 1.00 1.63 C ATOM 299 NH1 ARG A 19 25.694 -3.289 -1.800 1.00 1.72 N ATOM 300 NH2 ARG A 19 26.295 -4.161 -3.796 1.00 1.89 N ATOM 0 H ARG A 19 26.061 2.554 -2.702 1.00 0.02 H new ATOM 0 HA ARG A 19 23.124 2.384 -3.330 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.415 1.120 -5.007 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.428 0.407 -3.767 1.00 0.85 H new ATOM 0 HG2 ARG A 19 22.469 -0.058 -3.453 1.00 1.31 H new ATOM 0 HG3 ARG A 19 23.217 -0.850 -4.826 1.00 1.31 H new ATOM 0 HD2 ARG A 19 24.596 -1.063 -2.132 1.00 1.34 H new ATOM 0 HD3 ARG A 19 23.161 -2.031 -2.404 1.00 1.34 H new ATOM 0 HE ARG A 19 24.701 -2.499 -4.721 1.00 1.50 H new ATOM 0 HH11 ARG A 19 25.143 -2.625 -1.256 1.00 1.72 H new ATOM 0 HH12 ARG A 19 26.326 -3.936 -1.327 1.00 1.72 H new ATOM 0 HH21 ARG A 19 26.214 -4.179 -4.813 1.00 1.89 H new ATOM 0 HH22 ARG A 19 26.927 -4.808 -3.323 1.00 1.89 H new ATOM 314 N TYR A 20 22.662 0.932 -1.288 1.00 0.02 N ATOM 315 CA TYR A 20 22.390 0.314 0.051 1.00 0.02 C ATOM 316 C TYR A 20 21.487 -0.906 -0.131 1.00 0.02 C ATOM 317 O TYR A 20 20.491 -0.843 -0.819 1.00 0.02 O ATOM 318 CB TYR A 20 21.717 1.307 1.004 1.00 0.02 C ATOM 319 CG TYR A 20 21.919 0.817 2.423 1.00 0.01 C ATOM 320 CD1 TYR A 20 21.184 -0.276 2.899 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.861 1.437 3.252 1.00 0.02 C ATOM 322 CE1 TYR A 20 21.388 -0.746 4.204 1.00 0.02 C ATOM 323 CE2 TYR A 20 23.068 0.967 4.554 1.00 0.02 C ATOM 324 CZ TYR A 20 22.331 -0.124 5.030 1.00 0.02 C ATOM 325 OH TYR A 20 22.535 -0.588 6.314 1.00 0.01 O ATOM 0 H TYR A 20 21.848 1.007 -1.899 1.00 0.02 H new ATOM 0 HA TYR A 20 23.344 0.019 0.489 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.146 2.301 0.881 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.654 1.389 0.778 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.459 -0.758 2.260 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.429 2.280 2.886 1.00 0.02 H new ATOM 0 HE1 TYR A 20 20.818 -1.587 4.571 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.796 1.446 5.192 1.00 0.02 H new ATOM 0 HH TYR A 20 23.224 -0.046 6.752 1.00 0.01 H new ATOM 335 N ASP A 21 21.823 -2.008 0.489 1.00 0.01 N ATOM 336 CA ASP A 21 20.983 -3.244 0.371 1.00 0.02 C ATOM 337 C ASP A 21 20.287 -3.501 1.711 1.00 0.00 C ATOM 338 O ASP A 21 20.881 -3.376 2.762 1.00 0.01 O ATOM 339 CB ASP A 21 21.894 -4.425 0.035 1.00 0.12 C ATOM 340 CG ASP A 21 22.322 -4.338 -1.430 1.00 0.41 C ATOM 341 OD1 ASP A 21 21.467 -4.082 -2.262 1.00 0.56 O ATOM 342 OD2 ASP A 21 23.497 -4.527 -1.696 1.00 1.12 O ATOM 0 H ASP A 21 22.650 -2.108 1.078 1.00 0.01 H new ATOM 0 HA ASP A 21 20.234 -3.121 -0.412 1.00 0.02 H new ATOM 0 HB2 ASP A 21 22.771 -4.417 0.682 1.00 0.12 H new ATOM 0 HB3 ASP A 21 21.372 -5.364 0.217 1.00 0.12 H new ATOM 347 N CYS A 22 19.018 -3.841 1.672 1.00 0.01 N ATOM 348 CA CYS A 22 18.250 -4.090 2.938 1.00 0.00 C ATOM 349 C CYS A 22 17.558 -5.452 2.862 1.00 0.02 C ATOM 350 O CYS A 22 17.006 -5.826 1.842 1.00 0.01 O ATOM 351 CB CYS A 22 17.204 -2.987 3.112 1.00 0.00 C ATOM 352 SG CYS A 22 16.645 -2.952 4.834 1.00 0.02 S ATOM 0 H CYS A 22 18.479 -3.957 0.814 1.00 0.01 H new ATOM 0 HA CYS A 22 18.932 -4.086 3.788 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.629 -2.022 2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.358 -3.165 2.447 1.00 0.00 H new ATOM 0 HG CYS A 22 15.534 -3.618 4.943 1.00 0.02 H new ATOM 358 N ASP A 23 17.593 -6.198 3.941 1.00 0.01 N ATOM 359 CA ASP A 23 16.953 -7.551 3.970 1.00 0.02 C ATOM 360 C ASP A 23 15.845 -7.589 5.030 1.00 0.00 C ATOM 361 O ASP A 23 15.332 -8.641 5.356 1.00 0.02 O ATOM 362 CB ASP A 23 18.016 -8.597 4.312 1.00 0.16 C ATOM 363 CG ASP A 23 18.819 -8.127 5.525 1.00 0.17 C ATOM 364 OD1 ASP A 23 19.679 -7.278 5.350 1.00 0.17 O ATOM 365 OD2 ASP A 23 18.561 -8.621 6.609 1.00 0.20 O ATOM 0 H ASP A 23 18.044 -5.923 4.814 1.00 0.01 H new ATOM 0 HA ASP A 23 16.517 -7.764 2.994 1.00 0.02 H new ATOM 0 HB2 ASP A 23 17.543 -9.556 4.524 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.679 -8.750 3.460 1.00 0.16 H new ATOM 370 N CYS A 24 15.459 -6.459 5.567 1.00 0.01 N ATOM 371 CA CYS A 24 14.374 -6.452 6.596 1.00 0.01 C ATOM 372 C CYS A 24 13.773 -5.043 6.681 1.00 0.01 C ATOM 373 O CYS A 24 14.256 -4.122 6.053 1.00 0.01 O ATOM 374 CB CYS A 24 14.955 -6.850 7.954 1.00 0.62 C ATOM 375 SG CYS A 24 16.216 -5.651 8.450 1.00 1.23 S ATOM 0 H CYS A 24 15.847 -5.544 5.339 1.00 0.01 H new ATOM 0 HA CYS A 24 13.597 -7.164 6.318 1.00 0.01 H new ATOM 0 HB2 CYS A 24 14.163 -6.890 8.702 1.00 0.62 H new ATOM 0 HB3 CYS A 24 15.390 -7.848 7.896 1.00 0.62 H new ATOM 0 HG CYS A 24 16.707 -5.990 9.605 1.00 1.23 H new ATOM 381 N ASP A 25 12.720 -4.860 7.439 1.00 0.02 N ATOM 382 CA ASP A 25 12.094 -3.506 7.543 1.00 0.01 C ATOM 383 C ASP A 25 13.075 -2.504 8.157 1.00 0.02 C ATOM 384 O ASP A 25 13.851 -2.836 9.030 1.00 0.00 O ATOM 385 CB ASP A 25 10.862 -3.596 8.445 1.00 0.01 C ATOM 386 CG ASP A 25 9.877 -4.613 7.866 1.00 0.01 C ATOM 387 OD1 ASP A 25 10.266 -5.337 6.965 1.00 0.01 O ATOM 388 OD2 ASP A 25 8.750 -4.649 8.331 1.00 0.01 O ATOM 0 H ASP A 25 12.267 -5.589 7.990 1.00 0.02 H new ATOM 0 HA ASP A 25 11.818 -3.170 6.543 1.00 0.01 H new ATOM 0 HB2 ASP A 25 11.157 -3.892 9.452 1.00 0.01 H new ATOM 0 HB3 ASP A 25 10.386 -2.619 8.526 1.00 0.01 H new ATOM 393 N CYS A 26 13.018 -1.268 7.721 1.00 0.01 N ATOM 394 CA CYS A 26 13.917 -0.209 8.289 1.00 0.01 C ATOM 395 C CYS A 26 13.088 1.060 8.560 1.00 0.01 C ATOM 396 O CYS A 26 12.463 1.610 7.675 1.00 0.01 O ATOM 397 CB CYS A 26 15.055 0.083 7.307 1.00 0.01 C ATOM 398 SG CYS A 26 14.468 1.143 5.960 1.00 0.02 S ATOM 0 H CYS A 26 12.383 -0.944 6.991 1.00 0.01 H new ATOM 0 HA CYS A 26 14.355 -0.552 9.226 1.00 0.01 H new ATOM 0 HB2 CYS A 26 15.879 0.570 7.829 1.00 0.01 H new ATOM 0 HB3 CYS A 26 15.443 -0.851 6.901 1.00 0.01 H new ATOM 0 HG CYS A 26 15.465 1.824 5.478 1.00 0.02 H new ATOM 404 N ALA A 27 13.037 1.490 9.797 1.00 0.01 N ATOM 405 CA ALA A 27 12.204 2.683 10.155 1.00 0.01 C ATOM 406 C ALA A 27 12.888 4.006 9.776 1.00 0.01 C ATOM 407 O ALA A 27 12.236 5.026 9.666 1.00 0.02 O ATOM 408 CB ALA A 27 11.930 2.671 11.660 1.00 0.24 C ATOM 0 H ALA A 27 13.538 1.065 10.578 1.00 0.01 H new ATOM 0 HA ALA A 27 11.274 2.619 9.591 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.324 3.537 11.926 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.396 1.759 11.925 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.875 2.709 12.202 1.00 0.24 H new ATOM 414 N ASP A 28 14.183 4.017 9.600 1.00 0.01 N ATOM 415 CA ASP A 28 14.871 5.303 9.247 1.00 0.02 C ATOM 416 C ASP A 28 16.152 5.014 8.459 1.00 0.01 C ATOM 417 O ASP A 28 17.134 4.545 9.000 1.00 0.02 O ATOM 418 CB ASP A 28 15.218 6.070 10.525 1.00 0.67 C ATOM 419 CG ASP A 28 16.155 5.225 11.388 1.00 0.90 C ATOM 420 OD1 ASP A 28 15.988 4.016 11.397 1.00 1.14 O ATOM 421 OD2 ASP A 28 17.023 5.800 12.025 1.00 0.87 O ATOM 0 H ASP A 28 14.792 3.203 9.683 1.00 0.01 H new ATOM 0 HA ASP A 28 14.202 5.905 8.632 1.00 0.02 H new ATOM 0 HB2 ASP A 28 15.693 7.019 10.275 1.00 0.67 H new ATOM 0 HB3 ASP A 28 14.309 6.305 11.079 1.00 0.67 H new ATOM 426 N PHE A 29 16.144 5.283 7.175 1.00 0.02 N ATOM 427 CA PHE A 29 17.345 5.024 6.316 1.00 0.02 C ATOM 428 C PHE A 29 18.097 6.339 6.038 1.00 0.00 C ATOM 429 O PHE A 29 19.010 6.390 5.238 1.00 0.02 O ATOM 430 CB PHE A 29 16.854 4.402 4.977 1.00 2.87 C ATOM 431 CG PHE A 29 17.395 2.996 4.795 1.00 3.99 C ATOM 432 CD1 PHE A 29 17.275 2.067 5.831 1.00 4.52 C ATOM 433 CD2 PHE A 29 18.002 2.625 3.587 1.00 4.68 C ATOM 434 CE1 PHE A 29 17.763 0.768 5.666 1.00 5.75 C ATOM 435 CE2 PHE A 29 18.489 1.325 3.422 1.00 5.85 C ATOM 436 CZ PHE A 29 18.369 0.396 4.463 1.00 6.37 C ATOM 0 H PHE A 29 15.345 5.677 6.678 1.00 0.02 H new ATOM 0 HA PHE A 29 18.028 4.343 6.824 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.764 4.380 4.961 1.00 2.87 H new ATOM 0 HB3 PHE A 29 17.173 5.028 4.144 1.00 2.87 H new ATOM 0 HD1 PHE A 29 16.805 2.353 6.760 1.00 4.52 H new ATOM 0 HD2 PHE A 29 18.093 3.342 2.785 1.00 4.68 H new ATOM 0 HE1 PHE A 29 17.672 0.051 6.469 1.00 5.75 H new ATOM 0 HE2 PHE A 29 18.957 1.037 2.492 1.00 5.85 H new ATOM 0 HZ PHE A 29 18.745 -0.608 4.336 1.00 6.37 H new ATOM 446 N ARG A 30 17.672 7.408 6.653 1.00 0.01 N ATOM 447 CA ARG A 30 18.307 8.733 6.395 1.00 0.00 C ATOM 448 C ARG A 30 19.791 8.745 6.773 1.00 0.01 C ATOM 449 O ARG A 30 20.566 9.480 6.194 1.00 0.02 O ATOM 450 CB ARG A 30 17.587 9.812 7.206 1.00 0.32 C ATOM 451 CG ARG A 30 16.120 9.876 6.773 1.00 0.86 C ATOM 452 CD ARG A 30 15.423 11.031 7.498 1.00 1.62 C ATOM 453 NE ARG A 30 15.441 10.779 8.965 1.00 2.25 N ATOM 454 CZ ARG A 30 15.170 11.746 9.796 1.00 2.70 C ATOM 455 NH1 ARG A 30 14.877 12.934 9.341 1.00 3.11 N ATOM 456 NH2 ARG A 30 15.189 11.526 11.081 1.00 3.02 N ATOM 0 H ARG A 30 16.907 7.421 7.328 1.00 0.01 H new ATOM 0 HA ARG A 30 18.225 8.930 5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.654 9.589 8.271 1.00 0.32 H new ATOM 0 HB3 ARG A 30 18.066 10.779 7.052 1.00 0.32 H new ATOM 0 HG2 ARG A 30 16.054 10.017 5.694 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.621 8.935 7.002 1.00 0.86 H new ATOM 0 HD2 ARG A 30 15.926 11.972 7.274 1.00 1.62 H new ATOM 0 HD3 ARG A 30 14.395 11.127 7.147 1.00 1.62 H new ATOM 0 HE ARG A 30 15.665 9.849 9.320 1.00 2.25 H new ATOM 0 HH11 ARG A 30 14.860 13.105 8.336 1.00 3.11 H new ATOM 0 HH12 ARG A 30 14.665 13.691 9.991 1.00 3.11 H new ATOM 0 HH21 ARG A 30 15.416 10.597 11.436 1.00 3.02 H new ATOM 0 HH22 ARG A 30 14.977 12.283 11.731 1.00 3.02 H new ATOM 470 N SER A 31 20.207 7.976 7.743 1.00 0.02 N ATOM 471 CA SER A 31 21.646 8.006 8.145 1.00 0.02 C ATOM 472 C SER A 31 22.511 7.238 7.147 1.00 0.01 C ATOM 473 O SER A 31 23.718 7.377 7.127 1.00 0.02 O ATOM 474 CB SER A 31 21.790 7.367 9.526 1.00 0.37 C ATOM 475 OG SER A 31 21.760 5.952 9.394 1.00 0.88 O ATOM 0 H SER A 31 19.619 7.332 8.272 1.00 0.02 H new ATOM 0 HA SER A 31 21.980 9.043 8.166 1.00 0.02 H new ATOM 0 HB2 SER A 31 22.726 7.681 9.989 1.00 0.37 H new ATOM 0 HB3 SER A 31 20.984 7.700 10.179 1.00 0.37 H new ATOM 0 HG SER A 31 21.170 5.705 8.652 1.00 0.88 H new ATOM 481 N TYR A 32 21.909 6.402 6.344 1.00 0.01 N ATOM 482 CA TYR A 32 22.694 5.583 5.366 1.00 0.01 C ATOM 483 C TYR A 32 22.497 6.106 3.945 1.00 0.02 C ATOM 484 O TYR A 32 23.282 5.824 3.061 1.00 0.02 O ATOM 485 CB TYR A 32 22.196 4.144 5.435 1.00 0.02 C ATOM 486 CG TYR A 32 22.339 3.624 6.847 1.00 0.02 C ATOM 487 CD1 TYR A 32 23.583 3.176 7.306 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.226 3.588 7.696 1.00 0.01 C ATOM 489 CE1 TYR A 32 23.715 2.691 8.614 1.00 0.00 C ATOM 490 CE2 TYR A 32 21.357 3.105 9.003 1.00 0.02 C ATOM 491 CZ TYR A 32 22.602 2.656 9.462 1.00 0.02 C ATOM 492 OH TYR A 32 22.731 2.177 10.750 1.00 0.02 O ATOM 0 H TYR A 32 20.901 6.248 6.321 1.00 0.01 H new ATOM 0 HA TYR A 32 23.753 5.642 5.617 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.153 4.094 5.123 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.765 3.518 4.747 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.442 3.204 6.652 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.266 3.933 7.342 1.00 0.01 H new ATOM 0 HE1 TYR A 32 24.675 2.344 8.968 1.00 0.00 H new ATOM 0 HE2 TYR A 32 20.498 3.078 9.658 1.00 0.02 H new ATOM 0 HH TYR A 32 21.864 2.223 11.204 1.00 0.02 H new ATOM 502 N LEU A 33 21.441 6.828 3.697 1.00 0.02 N ATOM 503 CA LEU A 33 21.183 7.322 2.309 1.00 0.02 C ATOM 504 C LEU A 33 20.455 8.669 2.371 1.00 0.02 C ATOM 505 O LEU A 33 19.440 8.813 3.025 1.00 0.02 O ATOM 506 CB LEU A 33 20.275 6.297 1.603 1.00 1.66 C ATOM 507 CG LEU A 33 20.487 6.351 0.075 1.00 2.38 C ATOM 508 CD1 LEU A 33 21.712 5.517 -0.326 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.253 5.794 -0.637 1.00 2.80 C ATOM 0 H LEU A 33 20.745 7.099 4.391 1.00 0.02 H new ATOM 0 HA LEU A 33 22.123 7.445 1.771 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.493 5.295 1.971 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.231 6.503 1.839 1.00 1.66 H new ATOM 0 HG LEU A 33 20.648 7.389 -0.215 1.00 2.38 H new ATOM 0 HD11 LEU A 33 21.847 5.566 -1.406 1.00 3.32 H new ATOM 0 HD12 LEU A 33 22.599 5.912 0.169 1.00 3.32 H new ATOM 0 HD13 LEU A 33 21.560 4.480 -0.026 1.00 3.32 H new ATOM 0 HD21 LEU A 33 19.406 5.834 -1.715 1.00 2.80 H new ATOM 0 HD22 LEU A 33 19.092 4.760 -0.331 1.00 2.80 H new ATOM 0 HD23 LEU A 33 18.380 6.391 -0.372 1.00 2.80 H new ATOM 521 N SER A 34 20.987 9.663 1.705 1.00 0.02 N ATOM 522 CA SER A 34 20.361 11.014 1.730 1.00 0.02 C ATOM 523 C SER A 34 19.290 11.144 0.644 1.00 0.00 C ATOM 524 O SER A 34 18.512 12.078 0.645 1.00 0.01 O ATOM 525 CB SER A 34 21.440 12.073 1.501 1.00 0.02 C ATOM 526 OG SER A 34 20.819 13.322 1.222 1.00 0.02 O ATOM 0 H SER A 34 21.835 9.593 1.142 1.00 0.02 H new ATOM 0 HA SER A 34 19.888 11.158 2.701 1.00 0.02 H new ATOM 0 HB2 SER A 34 22.075 12.158 2.383 1.00 0.02 H new ATOM 0 HB3 SER A 34 22.083 11.780 0.671 1.00 0.02 H new ATOM 0 HG SER A 34 19.845 13.219 1.259 1.00 0.02 H new ATOM 532 N ARG A 35 19.236 10.226 -0.288 1.00 0.02 N ATOM 533 CA ARG A 35 18.215 10.305 -1.373 1.00 0.01 C ATOM 534 C ARG A 35 18.281 9.012 -2.195 1.00 0.02 C ATOM 535 O ARG A 35 19.254 8.286 -2.146 1.00 0.02 O ATOM 536 CB ARG A 35 18.514 11.504 -2.277 1.00 0.02 C ATOM 537 CG ARG A 35 20.003 11.527 -2.625 1.00 0.02 C ATOM 538 CD ARG A 35 20.242 12.483 -3.795 1.00 0.02 C ATOM 539 NE ARG A 35 19.364 13.677 -3.649 1.00 0.02 N ATOM 540 CZ ARG A 35 19.601 14.751 -4.351 1.00 0.02 C ATOM 541 NH1 ARG A 35 20.606 14.777 -5.183 1.00 0.00 N ATOM 542 NH2 ARG A 35 18.834 15.798 -4.221 1.00 0.02 N ATOM 0 H ARG A 35 19.860 9.421 -0.343 1.00 0.02 H new ATOM 0 HA ARG A 35 17.221 10.427 -0.943 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.918 11.443 -3.188 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.234 12.430 -1.775 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.584 11.844 -1.759 1.00 0.02 H new ATOM 0 HG3 ARG A 35 20.341 10.524 -2.887 1.00 0.02 H new ATOM 0 HD2 ARG A 35 21.288 12.789 -3.821 1.00 0.02 H new ATOM 0 HD3 ARG A 35 20.034 11.979 -4.739 1.00 0.02 H new ATOM 0 HE ARG A 35 18.577 13.655 -3.000 1.00 0.02 H new ATOM 0 HH11 ARG A 35 21.206 13.958 -5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 35 20.792 15.616 -5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 35 18.049 15.777 -3.570 1.00 0.02 H new ATOM 0 HH22 ARG A 35 19.020 16.637 -4.770 1.00 0.02 H new ATOM 556 N CYS A 36 17.258 8.719 -2.955 1.00 0.02 N ATOM 557 CA CYS A 36 17.259 7.476 -3.793 1.00 0.02 C ATOM 558 C CYS A 36 16.550 7.772 -5.116 1.00 0.02 C ATOM 559 O CYS A 36 15.379 8.099 -5.115 1.00 0.02 O ATOM 560 CB CYS A 36 16.502 6.375 -3.051 1.00 0.02 C ATOM 561 SG CYS A 36 15.011 7.087 -2.316 1.00 0.02 S ATOM 0 H CYS A 36 16.416 9.289 -3.034 1.00 0.02 H new ATOM 0 HA CYS A 36 18.282 7.154 -3.985 1.00 0.02 H new ATOM 0 HB2 CYS A 36 16.237 5.571 -3.737 1.00 0.02 H new ATOM 0 HB3 CYS A 36 17.133 5.939 -2.277 1.00 0.02 H new ATOM 0 HG CYS A 36 14.727 8.208 -2.910 1.00 0.02 H new ATOM 567 N ASN A 37 17.227 7.696 -6.243 1.00 0.02 N ATOM 568 CA ASN A 37 16.547 8.020 -7.545 1.00 0.01 C ATOM 569 C ASN A 37 16.314 6.757 -8.377 1.00 0.02 C ATOM 570 O ASN A 37 15.741 6.798 -9.447 1.00 0.02 O ATOM 571 CB ASN A 37 17.411 8.992 -8.352 1.00 0.02 C ATOM 572 CG ASN A 37 17.463 10.343 -7.635 1.00 0.01 C ATOM 573 OD1 ASN A 37 17.349 11.379 -8.258 1.00 0.03 O ATOM 574 ND2 ASN A 37 17.629 10.375 -6.341 1.00 0.02 N ATOM 0 H ASN A 37 18.208 7.427 -6.318 1.00 0.02 H new ATOM 0 HA ASN A 37 15.582 8.473 -7.316 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.418 8.591 -8.468 1.00 0.02 H new ATOM 0 HB3 ASN A 37 17.000 9.115 -9.354 1.00 0.02 H new ATOM 0 HD21 ASN A 37 17.663 11.270 -5.853 1.00 0.02 H new ATOM 0 HD22 ASN A 37 17.725 9.505 -5.817 1.00 0.02 H new ATOM 581 N SER A 38 16.726 5.627 -7.870 1.00 0.02 N ATOM 582 CA SER A 38 16.512 4.341 -8.593 1.00 0.02 C ATOM 583 C SER A 38 16.511 3.217 -7.559 1.00 0.01 C ATOM 584 O SER A 38 17.091 3.339 -6.498 1.00 0.02 O ATOM 585 CB SER A 38 17.621 4.112 -9.623 1.00 0.01 C ATOM 586 OG SER A 38 17.574 2.764 -10.071 1.00 0.02 O ATOM 0 H SER A 38 17.207 5.539 -6.975 1.00 0.02 H new ATOM 0 HA SER A 38 15.563 4.366 -9.128 1.00 0.02 H new ATOM 0 HB2 SER A 38 17.497 4.792 -10.466 1.00 0.01 H new ATOM 0 HB3 SER A 38 18.594 4.327 -9.181 1.00 0.01 H new ATOM 0 HG SER A 38 16.697 2.582 -10.469 1.00 0.02 H new ATOM 592 N ILE A 39 15.843 2.128 -7.843 1.00 0.02 N ATOM 593 CA ILE A 39 15.783 1.012 -6.846 1.00 0.02 C ATOM 594 C ILE A 39 15.730 -0.341 -7.559 1.00 0.02 C ATOM 595 O ILE A 39 15.150 -0.492 -8.614 1.00 0.02 O ATOM 596 CB ILE A 39 14.510 1.165 -6.009 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.343 2.628 -5.587 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.608 0.281 -4.763 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.157 2.754 -4.630 1.00 0.00 C ATOM 0 H ILE A 39 15.340 1.962 -8.714 1.00 0.02 H new ATOM 0 HA ILE A 39 16.672 1.054 -6.216 1.00 0.02 H new ATOM 0 HB ILE A 39 13.649 0.861 -6.604 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.253 2.984 -5.103 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.183 3.254 -6.465 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.702 0.390 -4.167 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.721 -0.761 -5.064 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.471 0.583 -4.169 1.00 0.01 H new ATOM 0 HD11 ILE A 39 13.040 3.796 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.249 2.416 -5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.335 2.141 -3.747 1.00 0.00 H new ATOM 611 N ARG A 40 16.302 -1.344 -6.939 1.00 0.02 N ATOM 612 CA ARG A 40 16.269 -2.727 -7.506 1.00 0.02 C ATOM 613 C ARG A 40 15.656 -3.655 -6.455 1.00 0.01 C ATOM 614 O ARG A 40 16.153 -3.754 -5.353 1.00 0.02 O ATOM 615 CB ARG A 40 17.680 -3.217 -7.849 1.00 0.01 C ATOM 616 CG ARG A 40 17.589 -4.455 -8.745 1.00 0.02 C ATOM 617 CD ARG A 40 18.977 -5.075 -8.905 1.00 0.02 C ATOM 618 NE ARG A 40 18.942 -6.093 -9.993 1.00 0.02 N ATOM 619 CZ ARG A 40 20.056 -6.530 -10.513 1.00 0.02 C ATOM 620 NH1 ARG A 40 21.200 -6.069 -10.086 1.00 0.02 N ATOM 621 NH2 ARG A 40 20.027 -7.426 -11.461 1.00 0.02 N ATOM 0 H ARG A 40 16.797 -1.261 -6.051 1.00 0.02 H new ATOM 0 HA ARG A 40 15.679 -2.726 -8.423 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.237 -2.429 -8.356 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.225 -3.456 -6.936 1.00 0.01 H new ATOM 0 HG2 ARG A 40 16.903 -5.182 -8.310 1.00 0.02 H new ATOM 0 HG3 ARG A 40 17.187 -4.182 -9.721 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.708 -4.301 -9.139 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.291 -5.537 -7.969 1.00 0.02 H new ATOM 0 HE ARG A 40 18.047 -6.448 -10.331 1.00 0.02 H new ATOM 0 HH11 ARG A 40 21.223 -5.367 -9.346 1.00 0.02 H new ATOM 0 HH12 ARG A 40 22.071 -6.410 -10.492 1.00 0.02 H new ATOM 0 HH21 ARG A 40 19.133 -7.785 -11.796 1.00 0.02 H new ATOM 0 HH22 ARG A 40 20.898 -7.767 -11.867 1.00 0.02 H new ATOM 635 N VAL A 41 14.616 -4.372 -6.797 1.00 0.02 N ATOM 636 CA VAL A 41 14.015 -5.339 -5.828 1.00 0.01 C ATOM 637 C VAL A 41 14.430 -6.733 -6.286 1.00 0.02 C ATOM 638 O VAL A 41 14.057 -7.177 -7.354 1.00 0.02 O ATOM 639 CB VAL A 41 12.495 -5.200 -5.814 1.00 0.01 C ATOM 640 CG1 VAL A 41 11.923 -6.093 -4.709 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.131 -3.743 -5.514 1.00 0.00 C ATOM 0 H VAL A 41 14.156 -4.330 -7.707 1.00 0.02 H new ATOM 0 HA VAL A 41 14.363 -5.148 -4.813 1.00 0.01 H new ATOM 0 HB VAL A 41 12.086 -5.495 -6.780 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.837 -6.000 -4.692 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.195 -7.131 -4.902 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.329 -5.785 -3.746 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.047 -3.634 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.535 -3.460 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.552 -3.097 -6.284 1.00 0.00 H new ATOM 651 N GLU A 42 15.229 -7.416 -5.503 1.00 0.01 N ATOM 652 CA GLU A 42 15.706 -8.765 -5.915 1.00 0.01 C ATOM 653 C GLU A 42 14.686 -9.825 -5.523 1.00 0.02 C ATOM 654 O GLU A 42 14.514 -10.806 -6.219 1.00 0.01 O ATOM 655 CB GLU A 42 17.048 -9.068 -5.239 1.00 0.99 C ATOM 656 CG GLU A 42 17.750 -10.215 -5.972 1.00 1.86 C ATOM 657 CD GLU A 42 18.279 -9.720 -7.320 1.00 3.10 C ATOM 658 OE1 GLU A 42 18.190 -8.528 -7.568 1.00 3.67 O ATOM 659 OE2 GLU A 42 18.765 -10.542 -8.079 1.00 3.81 O ATOM 0 H GLU A 42 15.569 -7.094 -4.597 1.00 0.01 H new ATOM 0 HA GLU A 42 15.834 -8.778 -6.997 1.00 0.01 H new ATOM 0 HB2 GLU A 42 17.679 -8.179 -5.247 1.00 0.99 H new ATOM 0 HB3 GLU A 42 16.887 -9.336 -4.195 1.00 0.99 H new ATOM 0 HG2 GLU A 42 18.572 -10.597 -5.366 1.00 1.86 H new ATOM 0 HG3 GLU A 42 17.055 -11.041 -6.124 1.00 1.86 H new ATOM 666 N GLY A 43 14.014 -9.668 -4.420 1.00 0.01 N ATOM 667 CA GLY A 43 13.032 -10.716 -4.031 1.00 0.02 C ATOM 668 C GLY A 43 12.058 -10.186 -2.990 1.00 0.02 C ATOM 669 O GLY A 43 12.412 -9.363 -2.167 1.00 0.02 O ATOM 0 H GLY A 43 14.098 -8.877 -3.782 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.483 -11.051 -4.911 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.558 -11.584 -3.634 1.00 0.02 H new ATOM 673 N GLY A 44 10.849 -10.677 -2.996 1.00 0.00 N ATOM 674 CA GLY A 44 9.854 -10.221 -1.986 1.00 0.01 C ATOM 675 C GLY A 44 9.155 -8.949 -2.470 1.00 0.01 C ATOM 676 O GLY A 44 9.539 -8.348 -3.454 1.00 0.01 O ATOM 0 H GLY A 44 10.508 -11.375 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.117 -11.005 -1.811 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.351 -10.032 -1.035 1.00 0.01 H new ATOM 680 N THR A 45 8.147 -8.525 -1.752 1.00 0.01 N ATOM 681 CA THR A 45 7.412 -7.271 -2.111 1.00 0.00 C ATOM 682 C THR A 45 7.589 -6.288 -0.955 1.00 0.01 C ATOM 683 O THR A 45 7.515 -6.674 0.191 1.00 0.01 O ATOM 684 CB THR A 45 5.922 -7.599 -2.294 1.00 0.73 C ATOM 685 OG1 THR A 45 5.763 -8.432 -3.433 1.00 0.88 O ATOM 686 CG2 THR A 45 5.113 -6.311 -2.486 1.00 1.48 C ATOM 0 H THR A 45 7.796 -9.000 -0.920 1.00 0.01 H new ATOM 0 HA THR A 45 7.795 -6.841 -3.037 1.00 0.00 H new ATOM 0 HB THR A 45 5.559 -8.113 -1.404 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.814 -8.645 -3.552 1.00 0.88 H new ATOM 0 HG21 THR A 45 4.059 -6.559 -2.614 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.232 -5.673 -1.610 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.472 -5.784 -3.370 1.00 1.48 H new ATOM 694 N TRP A 46 7.904 -5.042 -1.227 1.00 0.02 N ATOM 695 CA TRP A 46 8.165 -4.075 -0.106 1.00 0.01 C ATOM 696 C TRP A 46 7.315 -2.810 -0.225 1.00 0.01 C ATOM 697 O TRP A 46 6.934 -2.377 -1.294 1.00 0.01 O ATOM 698 CB TRP A 46 9.639 -3.672 -0.144 1.00 0.00 C ATOM 699 CG TRP A 46 10.491 -4.878 0.100 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.673 -5.892 -0.777 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.275 -5.211 1.281 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.521 -6.826 -0.210 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.918 -6.452 1.058 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.488 -4.566 2.512 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.745 -7.030 2.021 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.319 -5.145 3.484 1.00 0.02 C ATOM 707 CH2 TRP A 46 12.946 -6.375 3.239 1.00 0.01 C ATOM 0 H TRP A 46 7.991 -4.654 -2.166 1.00 0.02 H new ATOM 0 HA TRP A 46 7.906 -4.569 0.830 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.882 -3.231 -1.111 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.839 -2.913 0.612 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.229 -5.961 -1.759 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.817 -7.686 -0.672 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.009 -3.619 2.711 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.227 -7.977 1.827 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.476 -4.640 4.426 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.584 -6.816 3.991 1.00 0.01 H new ATOM 718 N ALA A 47 7.081 -2.188 0.902 1.00 0.01 N ATOM 719 CA ALA A 47 6.331 -0.902 0.949 1.00 0.01 C ATOM 720 C ALA A 47 7.365 0.160 1.308 1.00 0.01 C ATOM 721 O ALA A 47 8.149 -0.020 2.220 1.00 0.01 O ATOM 722 CB ALA A 47 5.239 -0.965 2.020 1.00 0.24 C ATOM 0 H ALA A 47 7.387 -2.529 1.813 1.00 0.01 H new ATOM 0 HA ALA A 47 5.840 -0.684 0.001 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.698 -0.019 2.044 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.546 -1.773 1.786 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.694 -1.148 2.993 1.00 0.24 H new ATOM 728 N VAL A 48 7.362 1.272 0.616 1.00 0.01 N ATOM 729 CA VAL A 48 8.335 2.367 0.929 1.00 0.02 C ATOM 730 C VAL A 48 7.571 3.601 1.399 1.00 0.01 C ATOM 731 O VAL A 48 6.513 3.910 0.881 1.00 0.01 O ATOM 732 CB VAL A 48 9.159 2.713 -0.312 1.00 0.09 C ATOM 733 CG1 VAL A 48 9.960 1.486 -0.749 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.222 3.142 -1.444 1.00 0.65 C ATOM 0 H VAL A 48 6.725 1.470 -0.156 1.00 0.01 H new ATOM 0 HA VAL A 48 9.010 2.031 1.716 1.00 0.02 H new ATOM 0 HB VAL A 48 9.843 3.529 -0.079 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.548 1.731 -1.634 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.627 1.181 0.057 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.277 0.670 -0.982 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.809 3.389 -2.329 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.538 2.327 -1.678 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.651 4.017 -1.132 1.00 0.65 H new ATOM 744 N TYR A 49 8.095 4.306 2.377 1.00 0.01 N ATOM 745 CA TYR A 49 7.403 5.526 2.900 1.00 0.01 C ATOM 746 C TYR A 49 8.310 6.744 2.728 1.00 0.01 C ATOM 747 O TYR A 49 9.521 6.670 2.842 1.00 0.02 O ATOM 748 CB TYR A 49 7.077 5.329 4.380 1.00 0.01 C ATOM 749 CG TYR A 49 6.073 4.209 4.528 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.489 2.877 4.402 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.730 4.500 4.793 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.562 1.838 4.541 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.802 3.461 4.934 1.00 0.01 C ATOM 754 CZ TYR A 49 4.218 2.130 4.807 1.00 0.02 C ATOM 755 OH TYR A 49 3.303 1.105 4.944 1.00 0.01 O ATOM 0 H TYR A 49 8.978 4.085 2.837 1.00 0.01 H new ATOM 0 HA TYR A 49 6.479 5.687 2.345 1.00 0.01 H new ATOM 0 HB2 TYR A 49 7.985 5.094 4.936 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.675 6.251 4.801 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.525 2.652 4.198 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.409 5.527 4.889 1.00 0.01 H new ATOM 0 HE1 TYR A 49 5.883 0.811 4.443 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.766 3.686 5.141 1.00 0.01 H new ATOM 0 HH TYR A 49 2.416 1.480 5.127 1.00 0.01 H new ATOM 765 N GLU A 50 7.704 7.855 2.410 1.00 0.01 N ATOM 766 CA GLU A 50 8.464 9.112 2.154 1.00 0.01 C ATOM 767 C GLU A 50 9.176 9.615 3.412 1.00 0.01 C ATOM 768 O GLU A 50 10.239 10.194 3.318 1.00 0.02 O ATOM 769 CB GLU A 50 7.477 10.179 1.676 1.00 0.02 C ATOM 770 CG GLU A 50 8.212 11.506 1.475 1.00 0.01 C ATOM 771 CD GLU A 50 7.336 12.457 0.659 1.00 0.02 C ATOM 772 OE1 GLU A 50 7.067 12.143 -0.489 1.00 0.01 O ATOM 773 OE2 GLU A 50 6.948 13.481 1.196 1.00 0.02 O ATOM 0 H GLU A 50 6.693 7.946 2.315 1.00 0.01 H new ATOM 0 HA GLU A 50 9.226 8.910 1.401 1.00 0.01 H new ATOM 0 HB2 GLU A 50 7.011 9.865 0.742 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.677 10.302 2.406 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.449 11.952 2.441 1.00 0.01 H new ATOM 0 HG3 GLU A 50 9.158 11.335 0.961 1.00 0.01 H new ATOM 780 N ARG A 51 8.602 9.435 4.581 1.00 0.02 N ATOM 781 CA ARG A 51 9.263 9.949 5.831 1.00 0.02 C ATOM 782 C ARG A 51 9.444 8.789 6.832 1.00 0.01 C ATOM 783 O ARG A 51 8.749 7.790 6.753 1.00 0.02 O ATOM 784 CB ARG A 51 8.344 11.035 6.441 1.00 0.02 C ATOM 785 CG ARG A 51 8.786 12.429 5.978 1.00 0.01 C ATOM 786 CD ARG A 51 7.804 13.477 6.508 1.00 0.02 C ATOM 787 NE ARG A 51 8.325 14.841 6.214 1.00 0.02 N ATOM 788 CZ ARG A 51 7.533 15.876 6.299 1.00 0.02 C ATOM 789 NH1 ARG A 51 6.285 15.717 6.643 1.00 0.02 N ATOM 790 NH2 ARG A 51 7.990 17.071 6.041 1.00 0.01 N ATOM 0 H ARG A 51 7.712 8.959 4.725 1.00 0.02 H new ATOM 0 HA ARG A 51 10.243 10.368 5.604 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.311 10.856 6.143 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.376 10.979 7.529 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.792 12.642 6.339 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.823 12.468 4.889 1.00 0.01 H new ATOM 0 HD2 ARG A 51 6.827 13.342 6.045 1.00 0.02 H new ATOM 0 HD3 ARG A 51 7.667 13.352 7.582 1.00 0.02 H new ATOM 0 HE ARG A 51 9.301 14.967 5.946 1.00 0.02 H new ATOM 0 HH11 ARG A 51 5.927 14.784 6.846 1.00 0.02 H new ATOM 0 HH12 ARG A 51 5.667 16.526 6.709 1.00 0.02 H new ATOM 0 HH21 ARG A 51 8.966 17.197 5.773 1.00 0.01 H new ATOM 0 HH22 ARG A 51 7.371 17.879 6.107 1.00 0.01 H new ATOM 804 N PRO A 52 10.373 8.922 7.769 1.00 0.02 N ATOM 805 CA PRO A 52 10.628 7.851 8.776 1.00 0.02 C ATOM 806 C PRO A 52 9.359 7.416 9.514 1.00 0.01 C ATOM 807 O PRO A 52 8.337 8.073 9.488 1.00 0.02 O ATOM 808 CB PRO A 52 11.644 8.516 9.733 1.00 0.02 C ATOM 809 CG PRO A 52 11.864 9.971 9.277 1.00 0.01 C ATOM 810 CD PRO A 52 11.231 10.139 7.889 1.00 0.01 C ATOM 0 HA PRO A 52 10.993 6.930 8.322 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.272 8.492 10.757 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.587 7.969 9.724 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.413 10.664 9.987 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.929 10.201 9.240 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.645 11.056 7.819 1.00 0.01 H new ATOM 0 HD3 PRO A 52 11.985 10.182 7.103 1.00 0.01 H new ATOM 818 N ASN A 53 9.462 6.309 10.200 1.00 0.02 N ATOM 819 CA ASN A 53 8.320 5.785 10.999 1.00 0.02 C ATOM 820 C ASN A 53 7.135 5.430 10.100 1.00 0.01 C ATOM 821 O ASN A 53 5.987 5.600 10.460 1.00 0.01 O ATOM 822 CB ASN A 53 7.899 6.837 12.030 1.00 0.01 C ATOM 823 CG ASN A 53 7.068 6.177 13.134 1.00 0.02 C ATOM 824 OD1 ASN A 53 6.644 5.047 12.999 1.00 0.02 O ATOM 825 ND2 ASN A 53 6.816 6.842 14.228 1.00 0.01 N ATOM 0 H ASN A 53 10.305 5.737 10.240 1.00 0.02 H new ATOM 0 HA ASN A 53 8.639 4.876 11.508 1.00 0.02 H new ATOM 0 HB2 ASN A 53 8.781 7.311 12.460 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.319 7.623 11.546 1.00 0.01 H new ATOM 0 HD21 ASN A 53 6.263 6.413 14.970 1.00 0.01 H new ATOM 0 HD22 ASN A 53 7.172 7.791 14.341 1.00 0.01 H new ATOM 832 N PHE A 54 7.418 4.906 8.937 1.00 0.02 N ATOM 833 CA PHE A 54 6.338 4.495 7.998 1.00 0.01 C ATOM 834 C PHE A 54 5.256 5.575 7.906 1.00 0.01 C ATOM 835 O PHE A 54 4.080 5.313 8.060 1.00 0.02 O ATOM 836 CB PHE A 54 5.725 3.175 8.488 1.00 1.78 C ATOM 837 CG PHE A 54 6.806 2.314 9.108 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.897 1.902 8.334 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.718 1.930 10.454 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.899 1.107 8.903 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.721 1.135 11.021 1.00 3.32 C ATOM 842 CZ PHE A 54 8.812 0.723 10.246 1.00 3.39 C ATOM 0 H PHE A 54 8.365 4.744 8.595 1.00 0.02 H new ATOM 0 HA PHE A 54 6.763 4.359 7.004 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.941 3.375 9.219 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.258 2.648 7.656 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.966 2.198 7.297 1.00 2.53 H new ATOM 0 HD2 PHE A 54 5.877 2.247 11.053 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.740 0.790 8.305 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.653 0.839 12.057 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.585 0.110 10.684 1.00 3.39 H new ATOM 852 N SER A 55 5.668 6.793 7.649 1.00 0.02 N ATOM 853 CA SER A 55 4.694 7.931 7.534 1.00 0.02 C ATOM 854 C SER A 55 4.888 8.652 6.196 1.00 0.01 C ATOM 855 O SER A 55 5.893 8.485 5.532 1.00 0.01 O ATOM 856 CB SER A 55 4.937 8.915 8.678 1.00 1.90 C ATOM 857 OG SER A 55 4.299 10.150 8.379 1.00 2.33 O ATOM 0 H SER A 55 6.645 7.052 7.512 1.00 0.02 H new ATOM 0 HA SER A 55 3.677 7.542 7.586 1.00 0.02 H new ATOM 0 HB2 SER A 55 4.548 8.508 9.612 1.00 1.90 H new ATOM 0 HB3 SER A 55 6.007 9.070 8.819 1.00 1.90 H new ATOM 0 HG SER A 55 4.452 10.783 9.112 1.00 2.33 H new ATOM 863 N GLY A 56 3.927 9.445 5.788 1.00 0.02 N ATOM 864 CA GLY A 56 4.042 10.168 4.484 1.00 0.02 C ATOM 865 C GLY A 56 3.485 9.296 3.352 1.00 0.02 C ATOM 866 O GLY A 56 2.736 8.369 3.588 1.00 0.00 O ATOM 0 H GLY A 56 3.065 9.623 6.304 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.496 11.110 4.531 1.00 0.02 H new ATOM 0 HA3 GLY A 56 5.085 10.414 4.286 1.00 0.02 H new ATOM 870 N HIS A 57 3.821 9.594 2.125 1.00 0.02 N ATOM 871 CA HIS A 57 3.282 8.790 0.988 1.00 0.02 C ATOM 872 C HIS A 57 3.791 7.352 1.070 1.00 0.01 C ATOM 873 O HIS A 57 4.946 7.119 1.363 1.00 0.01 O ATOM 874 CB HIS A 57 3.731 9.416 -0.333 1.00 0.00 C ATOM 875 CG HIS A 57 3.518 10.905 -0.280 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.293 11.735 0.514 1.00 0.01 N ATOM 877 CD2 HIS A 57 2.621 11.726 -0.918 1.00 0.01 C ATOM 878 CE1 HIS A 57 3.850 12.994 0.339 1.00 0.02 C ATOM 879 NE2 HIS A 57 2.831 13.045 -0.525 1.00 0.01 N ATOM 0 H HIS A 57 4.444 10.357 1.861 1.00 0.02 H new ATOM 0 HA HIS A 57 2.193 8.783 1.042 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.783 9.194 -0.514 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.168 8.986 -1.161 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.867 11.398 -1.618 1.00 0.01 H new ATOM 0 HE1 HIS A 57 4.267 13.858 0.836 1.00 0.02 H new ATOM 0 HE2 HIS A 57 2.318 13.872 -0.830 1.00 0.01 H new ATOM 887 N MET A 58 2.933 6.388 0.803 1.00 0.02 N ATOM 888 CA MET A 58 3.348 4.947 0.851 1.00 0.02 C ATOM 889 C MET A 58 3.159 4.312 -0.535 1.00 0.01 C ATOM 890 O MET A 58 2.168 4.536 -1.200 1.00 0.01 O ATOM 891 CB MET A 58 2.477 4.205 1.872 1.00 2.61 C ATOM 892 CG MET A 58 2.809 2.707 1.864 1.00 3.46 C ATOM 893 SD MET A 58 1.875 1.886 0.546 1.00 4.50 S ATOM 894 CE MET A 58 0.379 1.546 1.507 1.00 5.01 C ATOM 0 H MET A 58 1.956 6.542 0.552 1.00 0.02 H new ATOM 0 HA MET A 58 4.396 4.878 1.142 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.642 4.616 2.868 1.00 2.61 H new ATOM 0 HB3 MET A 58 1.423 4.352 1.637 1.00 2.61 H new ATOM 0 HG2 MET A 58 3.878 2.562 1.711 1.00 3.46 H new ATOM 0 HG3 MET A 58 2.562 2.264 2.829 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.349 1.033 0.878 1.00 5.01 H new ATOM 0 HE2 MET A 58 0.630 0.916 2.360 1.00 5.01 H new ATOM 0 HE3 MET A 58 -0.046 2.485 1.862 1.00 5.01 H new ATOM 904 N TYR A 59 4.111 3.526 -0.969 1.00 0.02 N ATOM 905 CA TYR A 59 4.016 2.864 -2.317 1.00 0.01 C ATOM 906 C TYR A 59 4.421 1.388 -2.205 1.00 0.01 C ATOM 907 O TYR A 59 5.357 1.039 -1.518 1.00 0.02 O ATOM 908 CB TYR A 59 4.966 3.556 -3.292 1.00 0.01 C ATOM 909 CG TYR A 59 4.444 4.937 -3.612 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.504 5.108 -4.635 1.00 0.01 C ATOM 911 CD2 TYR A 59 4.901 6.045 -2.888 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.021 6.387 -4.935 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.416 7.324 -3.188 1.00 0.01 C ATOM 914 CZ TYR A 59 3.476 7.495 -4.211 1.00 0.01 C ATOM 915 OH TYR A 59 3.000 8.756 -4.506 1.00 0.01 O ATOM 0 H TYR A 59 4.960 3.309 -0.446 1.00 0.02 H new ATOM 0 HA TYR A 59 2.989 2.938 -2.674 1.00 0.01 H new ATOM 0 HB2 TYR A 59 5.963 3.625 -2.857 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.056 2.969 -4.206 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.151 4.253 -5.193 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.627 5.913 -2.099 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.297 6.519 -5.725 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.767 8.179 -2.630 1.00 0.01 H new ATOM 0 HH TYR A 59 2.201 8.938 -3.968 1.00 0.01 H new ATOM 925 N ILE A 60 3.713 0.524 -2.897 1.00 0.02 N ATOM 926 CA ILE A 60 4.032 -0.940 -2.872 1.00 0.01 C ATOM 927 C ILE A 60 4.945 -1.271 -4.063 1.00 0.01 C ATOM 928 O ILE A 60 4.674 -0.879 -5.180 1.00 0.01 O ATOM 929 CB ILE A 60 2.732 -1.746 -3.006 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.653 -1.185 -2.058 1.00 1.35 C ATOM 931 CG2 ILE A 60 3.000 -3.217 -2.685 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.090 -1.303 -0.591 1.00 1.72 C ATOM 0 H ILE A 60 2.918 0.775 -3.485 1.00 0.02 H new ATOM 0 HA ILE A 60 4.528 -1.192 -1.935 1.00 0.01 H new ATOM 0 HB ILE A 60 2.370 -1.664 -4.031 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.460 -0.140 -2.300 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.718 -1.725 -2.207 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.075 -3.785 -2.781 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.742 -3.612 -3.379 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.375 -3.304 -1.665 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.310 -0.900 0.055 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.259 -2.351 -0.345 1.00 1.72 H new ATOM 0 HD13 ILE A 60 3.012 -0.742 -0.440 1.00 1.72 H new ATOM 944 N LEU A 61 6.040 -1.965 -3.826 1.00 0.01 N ATOM 945 CA LEU A 61 6.995 -2.295 -4.941 1.00 0.01 C ATOM 946 C LEU A 61 7.159 -3.837 -5.089 1.00 0.01 C ATOM 947 O LEU A 61 7.764 -4.465 -4.239 1.00 0.00 O ATOM 948 CB LEU A 61 8.374 -1.660 -4.594 1.00 0.01 C ATOM 949 CG LEU A 61 8.750 -0.562 -5.604 1.00 0.02 C ATOM 950 CD1 LEU A 61 9.896 0.278 -5.042 1.00 0.01 C ATOM 951 CD2 LEU A 61 9.201 -1.203 -6.919 1.00 0.01 C ATOM 0 H LEU A 61 6.313 -2.317 -2.908 1.00 0.01 H new ATOM 0 HA LEU A 61 6.609 -1.902 -5.882 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.341 -1.238 -3.590 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.143 -2.433 -4.590 1.00 0.01 H new ATOM 0 HG LEU A 61 7.881 0.071 -5.784 1.00 0.02 H new ATOM 0 HD11 LEU A 61 10.162 1.056 -5.758 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.584 0.739 -4.105 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.761 -0.361 -4.862 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.467 -0.422 -7.632 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.068 -1.837 -6.736 1.00 0.01 H new ATOM 0 HD23 LEU A 61 8.390 -1.806 -7.327 1.00 0.01 H new ATOM 963 N PRO A 62 6.669 -4.454 -6.161 1.00 0.02 N ATOM 964 CA PRO A 62 6.863 -5.923 -6.348 1.00 0.01 C ATOM 965 C PRO A 62 8.289 -6.217 -6.847 1.00 0.00 C ATOM 966 O PRO A 62 9.018 -5.318 -7.217 1.00 0.02 O ATOM 967 CB PRO A 62 5.811 -6.260 -7.417 1.00 1.47 C ATOM 968 CG PRO A 62 5.413 -4.946 -8.113 1.00 1.29 C ATOM 969 CD PRO A 62 5.890 -3.770 -7.238 1.00 0.82 C ATOM 0 HA PRO A 62 6.748 -6.508 -5.435 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.214 -6.969 -8.140 1.00 1.47 H new ATOM 0 HB3 PRO A 62 4.940 -6.730 -6.961 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.864 -4.889 -9.104 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.333 -4.902 -8.252 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.507 -3.071 -7.802 1.00 0.82 H new ATOM 0 HD3 PRO A 62 5.053 -3.201 -6.833 1.00 0.82 H new ATOM 977 N GLN A 63 8.695 -7.460 -6.858 1.00 0.02 N ATOM 978 CA GLN A 63 10.072 -7.800 -7.328 1.00 0.00 C ATOM 979 C GLN A 63 10.327 -7.224 -8.726 1.00 0.00 C ATOM 980 O GLN A 63 9.459 -7.245 -9.577 1.00 0.02 O ATOM 981 CB GLN A 63 10.222 -9.322 -7.381 1.00 1.27 C ATOM 982 CG GLN A 63 9.026 -9.926 -8.121 1.00 1.67 C ATOM 983 CD GLN A 63 9.200 -11.443 -8.219 1.00 2.43 C ATOM 984 OE1 GLN A 63 8.563 -12.186 -7.499 1.00 4.25 O ATOM 985 NE2 GLN A 63 10.041 -11.937 -9.086 1.00 3.04 N ATOM 0 H GLN A 63 8.131 -8.257 -6.561 1.00 0.02 H new ATOM 0 HA GLN A 63 10.794 -7.370 -6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.150 -9.589 -7.887 1.00 1.27 H new ATOM 0 HB3 GLN A 63 10.281 -9.728 -6.371 1.00 1.27 H new ATOM 0 HG2 GLN A 63 8.101 -9.689 -7.595 1.00 1.67 H new ATOM 0 HG3 GLN A 63 8.945 -9.493 -9.118 1.00 1.67 H new ATOM 0 HE21 GLN A 63 10.576 -11.313 -9.690 1.00 3.04 H new ATOM 0 HE22 GLN A 63 10.164 -12.947 -9.159 1.00 3.04 H new ATOM 994 N GLY A 64 11.512 -6.717 -8.983 1.00 0.02 N ATOM 995 CA GLY A 64 11.795 -6.158 -10.340 1.00 0.01 C ATOM 996 C GLY A 64 12.912 -5.111 -10.273 1.00 0.02 C ATOM 997 O GLY A 64 13.487 -4.856 -9.234 1.00 0.02 O ATOM 0 H GLY A 64 12.285 -6.668 -8.319 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.084 -6.962 -11.017 1.00 0.01 H new ATOM 0 HA3 GLY A 64 10.891 -5.707 -10.749 1.00 0.01 H new ATOM 1001 N GLU A 65 13.223 -4.504 -11.392 1.00 0.02 N ATOM 1002 CA GLU A 65 14.305 -3.467 -11.439 1.00 0.02 C ATOM 1003 C GLU A 65 13.718 -2.131 -11.900 1.00 0.02 C ATOM 1004 O GLU A 65 13.020 -2.053 -12.890 1.00 0.02 O ATOM 1005 CB GLU A 65 15.378 -3.912 -12.435 1.00 0.77 C ATOM 1006 CG GLU A 65 16.480 -2.853 -12.509 1.00 0.49 C ATOM 1007 CD GLU A 65 17.695 -3.430 -13.237 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.566 -4.499 -13.811 1.00 0.71 O ATOM 1009 OE2 GLU A 65 18.734 -2.793 -13.210 1.00 0.96 O ATOM 0 H GLU A 65 12.768 -4.684 -12.287 1.00 0.02 H new ATOM 0 HA GLU A 65 14.740 -3.349 -10.447 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.799 -4.869 -12.128 1.00 0.77 H new ATOM 0 HB3 GLU A 65 14.935 -4.060 -13.420 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.115 -1.969 -13.032 1.00 0.49 H new ATOM 0 HG3 GLU A 65 16.762 -2.535 -11.505 1.00 0.49 H new ATOM 1016 N TYR A 66 14.018 -1.077 -11.181 1.00 0.02 N ATOM 1017 CA TYR A 66 13.515 0.281 -11.546 1.00 0.02 C ATOM 1018 C TYR A 66 14.738 1.196 -11.770 1.00 0.02 C ATOM 1019 O TYR A 66 15.308 1.690 -10.814 1.00 0.02 O ATOM 1020 CB TYR A 66 12.686 0.812 -10.376 1.00 0.01 C ATOM 1021 CG TYR A 66 11.508 -0.108 -10.163 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.670 -1.300 -9.445 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.258 0.222 -10.696 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.580 -2.160 -9.258 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.168 -0.637 -10.511 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.329 -1.827 -9.791 1.00 0.02 C ATOM 1027 OH TYR A 66 8.254 -2.674 -9.609 1.00 0.01 O ATOM 0 H TYR A 66 14.600 -1.103 -10.343 1.00 0.02 H new ATOM 0 HA TYR A 66 12.903 0.249 -12.447 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.295 0.862 -9.473 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.342 1.825 -10.585 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.636 -1.556 -9.035 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.133 1.140 -11.251 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.705 -3.078 -8.704 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.203 -0.382 -10.924 1.00 0.02 H new ATOM 0 HH TYR A 66 7.461 -2.294 -10.041 1.00 0.01 H new ATOM 1037 N PRO A 67 15.168 1.407 -13.004 1.00 0.01 N ATOM 1038 CA PRO A 67 16.366 2.257 -13.257 1.00 0.02 C ATOM 1039 C PRO A 67 16.135 3.750 -12.973 1.00 0.02 C ATOM 1040 O PRO A 67 17.055 4.540 -13.043 1.00 0.02 O ATOM 1041 CB PRO A 67 16.658 2.004 -14.751 1.00 0.02 C ATOM 1042 CG PRO A 67 15.485 1.198 -15.350 1.00 0.02 C ATOM 1043 CD PRO A 67 14.514 0.825 -14.213 1.00 0.01 C ATOM 0 HA PRO A 67 17.192 2.001 -12.594 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.776 2.950 -15.279 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.593 1.455 -14.867 1.00 0.02 H new ATOM 0 HG2 PRO A 67 14.970 1.787 -16.109 1.00 0.02 H new ATOM 0 HG3 PRO A 67 15.856 0.298 -15.841 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.522 1.246 -14.376 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.392 -0.255 -14.125 1.00 0.01 H new ATOM 1051 N GLU A 68 14.938 4.151 -12.638 1.00 0.01 N ATOM 1052 CA GLU A 68 14.702 5.595 -12.341 1.00 0.01 C ATOM 1053 C GLU A 68 13.454 5.699 -11.467 1.00 0.03 C ATOM 1054 O GLU A 68 12.603 4.832 -11.459 1.00 0.02 O ATOM 1055 CB GLU A 68 14.468 6.372 -13.640 1.00 0.69 C ATOM 1056 CG GLU A 68 15.769 6.455 -14.442 1.00 1.09 C ATOM 1057 CD GLU A 68 15.629 7.515 -15.535 1.00 1.35 C ATOM 1058 OE1 GLU A 68 14.516 7.956 -15.767 1.00 2.02 O ATOM 1059 OE2 GLU A 68 16.638 7.866 -16.125 1.00 1.55 O ATOM 0 H GLU A 68 14.119 3.548 -12.557 1.00 0.01 H new ATOM 0 HA GLU A 68 15.571 6.014 -11.833 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.696 5.881 -14.233 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.106 7.375 -13.413 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.600 6.705 -13.782 1.00 1.09 H new ATOM 0 HG3 GLU A 68 15.996 5.486 -14.887 1.00 1.09 H new ATOM 1066 N TYR A 69 13.368 6.740 -10.691 1.00 0.02 N ATOM 1067 CA TYR A 69 12.216 6.880 -9.764 1.00 0.02 C ATOM 1068 C TYR A 69 10.882 6.910 -10.513 1.00 0.01 C ATOM 1069 O TYR A 69 9.898 6.359 -10.058 1.00 0.01 O ATOM 1070 CB TYR A 69 12.391 8.126 -8.888 1.00 0.02 C ATOM 1071 CG TYR A 69 12.286 9.381 -9.725 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.361 9.783 -10.527 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.118 10.154 -9.686 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.265 10.951 -11.294 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.024 11.323 -10.449 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.098 11.721 -11.256 1.00 0.02 C ATOM 1077 OH TYR A 69 12.006 12.872 -12.011 1.00 0.01 O ATOM 0 H TYR A 69 14.047 7.501 -10.659 1.00 0.02 H new ATOM 0 HA TYR A 69 12.195 6.002 -9.119 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.631 8.138 -8.107 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.360 8.094 -8.390 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.265 9.192 -10.554 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.289 9.847 -9.066 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.093 11.257 -11.916 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.124 11.919 -10.416 1.00 0.02 H new ATOM 0 HH TYR A 69 12.552 12.778 -12.819 1.00 0.01 H new ATOM 1087 N GLN A 70 10.834 7.545 -11.655 1.00 0.01 N ATOM 1088 CA GLN A 70 9.562 7.600 -12.431 1.00 0.02 C ATOM 1089 C GLN A 70 9.093 6.185 -12.792 1.00 0.01 C ATOM 1090 O GLN A 70 7.925 5.941 -13.013 1.00 0.02 O ATOM 1091 CB GLN A 70 9.792 8.384 -13.723 1.00 0.01 C ATOM 1092 CG GLN A 70 10.067 9.851 -13.390 1.00 0.01 C ATOM 1093 CD GLN A 70 8.781 10.515 -12.893 1.00 0.02 C ATOM 1094 OE1 GLN A 70 7.726 9.913 -12.909 1.00 0.01 O ATOM 1095 NE2 GLN A 70 8.826 11.742 -12.449 1.00 0.02 N ATOM 0 H GLN A 70 11.623 8.029 -12.084 1.00 0.01 H new ATOM 0 HA GLN A 70 8.801 8.087 -11.820 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.633 7.961 -14.272 1.00 0.01 H new ATOM 0 HB3 GLN A 70 8.918 8.305 -14.369 1.00 0.01 H new ATOM 0 HG2 GLN A 70 10.843 9.922 -12.628 1.00 0.01 H new ATOM 0 HG3 GLN A 70 10.439 10.371 -14.273 1.00 0.01 H new ATOM 0 HE21 GLN A 70 9.712 12.247 -12.436 1.00 0.02 H new ATOM 0 HE22 GLN A 70 7.975 12.195 -12.115 1.00 0.02 H new ATOM 1104 N ARG A 71 10.009 5.250 -12.847 1.00 0.01 N ATOM 1105 CA ARG A 71 9.628 3.847 -13.189 1.00 0.02 C ATOM 1106 C ARG A 71 8.828 3.254 -12.028 1.00 0.01 C ATOM 1107 O ARG A 71 8.121 2.276 -12.172 1.00 0.02 O ATOM 1108 CB ARG A 71 10.888 3.005 -13.432 1.00 0.34 C ATOM 1109 CG ARG A 71 10.527 1.708 -14.184 1.00 0.72 C ATOM 1110 CD ARG A 71 10.532 1.952 -15.698 1.00 1.04 C ATOM 1111 NE ARG A 71 9.758 0.875 -16.374 1.00 1.67 N ATOM 1112 CZ ARG A 71 9.382 1.023 -17.615 1.00 2.47 C ATOM 1113 NH1 ARG A 71 9.684 2.116 -18.261 1.00 2.54 N ATOM 1114 NH2 ARG A 71 8.704 0.079 -18.209 1.00 3.42 N ATOM 0 H ARG A 71 11.002 5.398 -12.670 1.00 0.01 H new ATOM 0 HA ARG A 71 9.023 3.844 -14.096 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.612 3.579 -14.010 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.361 2.762 -12.480 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.241 0.923 -13.933 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.544 1.358 -13.868 1.00 0.72 H new ATOM 0 HD2 ARG A 71 10.095 2.925 -15.922 1.00 1.04 H new ATOM 0 HD3 ARG A 71 11.556 1.969 -16.072 1.00 1.04 H new ATOM 0 HE ARG A 71 9.522 0.022 -15.868 1.00 1.67 H new ATOM 0 HH11 ARG A 71 10.213 2.854 -17.796 1.00 2.54 H new ATOM 0 HH12 ARG A 71 9.391 2.233 -19.231 1.00 2.54 H new ATOM 0 HH21 ARG A 71 8.468 -0.775 -17.703 1.00 3.42 H new ATOM 0 HH22 ARG A 71 8.410 0.195 -19.179 1.00 3.42 H new ATOM 1128 N TRP A 72 8.947 3.854 -10.874 1.00 0.02 N ATOM 1129 CA TRP A 72 8.220 3.372 -9.663 1.00 0.01 C ATOM 1130 C TRP A 72 7.106 4.382 -9.358 1.00 0.01 C ATOM 1131 O TRP A 72 6.467 4.347 -8.327 1.00 0.02 O ATOM 1132 CB TRP A 72 9.254 3.271 -8.514 1.00 0.02 C ATOM 1133 CG TRP A 72 8.645 3.548 -7.174 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.670 2.817 -6.591 1.00 0.01 C ATOM 1135 CD2 TRP A 72 8.973 4.615 -6.239 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.375 3.371 -5.358 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.152 4.483 -5.098 1.00 0.02 C ATOM 1138 CE3 TRP A 72 9.893 5.679 -6.274 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.239 5.372 -4.026 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 9.985 6.576 -5.198 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.160 6.422 -4.076 1.00 0.02 C ATOM 0 H TRP A 72 9.530 4.676 -10.717 1.00 0.02 H new ATOM 0 HA TRP A 72 7.762 2.393 -9.801 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.694 2.274 -8.511 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.065 3.977 -8.695 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.198 1.944 -7.017 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.670 3.003 -4.719 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.533 5.807 -7.135 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.600 5.250 -3.164 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.695 7.389 -5.235 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.236 7.114 -3.250 1.00 0.02 H new ATOM 1152 N MET A 73 6.878 5.283 -10.273 1.00 0.02 N ATOM 1153 CA MET A 73 5.819 6.315 -10.087 1.00 0.02 C ATOM 1154 C MET A 73 6.117 7.169 -8.848 1.00 0.01 C ATOM 1155 O MET A 73 5.239 7.778 -8.271 1.00 0.02 O ATOM 1156 CB MET A 73 4.454 5.638 -9.929 1.00 0.02 C ATOM 1157 CG MET A 73 4.296 4.551 -10.993 1.00 0.01 C ATOM 1158 SD MET A 73 4.471 5.287 -12.638 1.00 0.01 S ATOM 1159 CE MET A 73 2.730 5.720 -12.878 1.00 0.01 C ATOM 0 H MET A 73 7.388 5.349 -11.154 1.00 0.02 H new ATOM 0 HA MET A 73 5.804 6.960 -10.965 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.365 5.203 -8.934 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.657 6.375 -10.026 1.00 0.02 H new ATOM 0 HG2 MET A 73 5.047 3.774 -10.849 1.00 0.01 H new ATOM 0 HG3 MET A 73 3.321 4.073 -10.898 1.00 0.01 H new ATOM 0 HE1 MET A 73 2.604 6.197 -13.850 1.00 0.01 H new ATOM 0 HE2 MET A 73 2.121 4.817 -12.836 1.00 0.01 H new ATOM 0 HE3 MET A 73 2.414 6.407 -12.093 1.00 0.01 H new ATOM 1169 N GLY A 74 7.359 7.212 -8.442 1.00 0.02 N ATOM 1170 CA GLY A 74 7.728 8.020 -7.246 1.00 0.02 C ATOM 1171 C GLY A 74 7.385 9.486 -7.495 1.00 0.01 C ATOM 1172 O GLY A 74 7.532 9.989 -8.592 1.00 0.01 O ATOM 0 H GLY A 74 8.134 6.721 -8.889 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.194 7.655 -6.369 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.793 7.915 -7.038 1.00 0.02 H new ATOM 1176 N LEU A 75 6.967 10.192 -6.479 1.00 0.02 N ATOM 1177 CA LEU A 75 6.666 11.640 -6.661 1.00 0.02 C ATOM 1178 C LEU A 75 7.995 12.407 -6.642 1.00 0.01 C ATOM 1179 O LEU A 75 8.155 13.417 -7.299 1.00 0.02 O ATOM 1180 CB LEU A 75 5.755 12.132 -5.532 1.00 0.55 C ATOM 1181 CG LEU A 75 4.634 11.117 -5.292 1.00 0.58 C ATOM 1182 CD1 LEU A 75 3.665 11.666 -4.242 1.00 0.98 C ATOM 1183 CD2 LEU A 75 3.880 10.867 -6.602 1.00 0.42 C ATOM 0 H LEU A 75 6.822 9.831 -5.536 1.00 0.02 H new ATOM 0 HA LEU A 75 6.152 11.804 -7.608 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.334 12.271 -4.619 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.331 13.102 -5.791 1.00 0.55 H new ATOM 0 HG LEU A 75 5.063 10.180 -4.936 1.00 0.58 H new ATOM 0 HD11 LEU A 75 2.867 10.944 -4.071 1.00 0.98 H new ATOM 0 HD12 LEU A 75 4.201 11.843 -3.309 1.00 0.98 H new ATOM 0 HD13 LEU A 75 3.236 12.603 -4.597 1.00 0.98 H new ATOM 0 HD21 LEU A 75 3.082 10.144 -6.430 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.451 11.803 -6.959 1.00 0.42 H new ATOM 0 HD23 LEU A 75 4.570 10.475 -7.350 1.00 0.42 H new ATOM 1195 N ASN A 76 8.961 11.908 -5.911 1.00 0.01 N ATOM 1196 CA ASN A 76 10.303 12.543 -5.840 1.00 0.02 C ATOM 1197 C ASN A 76 11.279 11.447 -5.406 1.00 0.02 C ATOM 1198 O ASN A 76 10.917 10.288 -5.362 1.00 0.02 O ATOM 1199 CB ASN A 76 10.292 13.683 -4.816 1.00 0.02 C ATOM 1200 CG ASN A 76 9.575 14.896 -5.413 1.00 0.02 C ATOM 1201 OD1 ASN A 76 10.009 15.444 -6.407 1.00 0.01 O ATOM 1202 ND2 ASN A 76 8.490 15.343 -4.842 1.00 0.02 N ATOM 0 H ASN A 76 8.867 11.063 -5.347 1.00 0.01 H new ATOM 0 HA ASN A 76 10.593 12.968 -6.801 1.00 0.02 H new ATOM 0 HB2 ASN A 76 9.789 13.362 -3.904 1.00 0.02 H new ATOM 0 HB3 ASN A 76 11.313 13.949 -4.541 1.00 0.02 H new ATOM 0 HD21 ASN A 76 8.006 16.153 -5.230 1.00 0.02 H new ATOM 0 HD22 ASN A 76 8.126 14.883 -4.008 1.00 0.02 H new ATOM 1209 N ASP A 77 12.509 11.775 -5.100 1.00 0.01 N ATOM 1210 CA ASP A 77 13.484 10.711 -4.691 1.00 0.01 C ATOM 1211 C ASP A 77 13.605 10.647 -3.164 1.00 0.01 C ATOM 1212 O ASP A 77 14.646 10.297 -2.641 1.00 0.01 O ATOM 1213 CB ASP A 77 14.858 11.041 -5.280 1.00 0.01 C ATOM 1214 CG ASP A 77 15.182 12.513 -5.025 1.00 0.01 C ATOM 1215 OD1 ASP A 77 14.404 13.160 -4.343 1.00 0.02 O ATOM 1216 OD2 ASP A 77 16.200 12.969 -5.517 1.00 0.01 O ATOM 0 H ASP A 77 12.881 12.725 -5.114 1.00 0.01 H new ATOM 0 HA ASP A 77 13.128 9.749 -5.060 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.621 10.406 -4.829 1.00 0.01 H new ATOM 0 HB3 ASP A 77 14.865 10.836 -6.351 1.00 0.01 H new ATOM 1221 N ARG A 78 12.571 11.002 -2.436 1.00 0.01 N ATOM 1222 CA ARG A 78 12.661 10.979 -0.939 1.00 0.01 C ATOM 1223 C ARG A 78 12.055 9.692 -0.360 1.00 0.02 C ATOM 1224 O ARG A 78 10.893 9.400 -0.552 1.00 0.02 O ATOM 1225 CB ARG A 78 11.922 12.194 -0.375 1.00 0.43 C ATOM 1226 CG ARG A 78 12.336 13.451 -1.145 1.00 0.80 C ATOM 1227 CD ARG A 78 13.855 13.639 -1.053 1.00 1.00 C ATOM 1228 NE ARG A 78 14.198 15.053 -1.374 1.00 1.30 N ATOM 1229 CZ ARG A 78 15.380 15.521 -1.080 1.00 2.30 C ATOM 1230 NH1 ARG A 78 16.261 14.752 -0.501 1.00 2.72 N ATOM 1231 NH2 ARG A 78 15.679 16.759 -1.363 1.00 3.20 N ATOM 0 H ARG A 78 11.672 11.305 -2.811 1.00 0.01 H new ATOM 0 HA ARG A 78 13.713 11.011 -0.656 1.00 0.01 H new ATOM 0 HB2 ARG A 78 10.845 12.046 -0.453 1.00 0.43 H new ATOM 0 HB3 ARG A 78 12.151 12.312 0.684 1.00 0.43 H new ATOM 0 HG2 ARG A 78 12.033 13.366 -2.189 1.00 0.80 H new ATOM 0 HG3 ARG A 78 11.827 14.324 -0.736 1.00 0.80 H new ATOM 0 HD2 ARG A 78 14.204 13.387 -0.052 1.00 1.00 H new ATOM 0 HD3 ARG A 78 14.359 12.965 -1.745 1.00 1.00 H new ATOM 0 HE ARG A 78 13.509 15.655 -1.824 1.00 1.30 H new ATOM 0 HH11 ARG A 78 16.026 13.785 -0.278 1.00 2.72 H new ATOM 0 HH12 ARG A 78 17.185 15.118 -0.271 1.00 2.72 H new ATOM 0 HH21 ARG A 78 14.989 17.360 -1.814 1.00 3.20 H new ATOM 0 HH22 ARG A 78 16.603 17.126 -1.134 1.00 3.20 H new ATOM 1245 N LEU A 79 12.830 8.950 0.391 1.00 0.01 N ATOM 1246 CA LEU A 79 12.315 7.704 1.047 1.00 0.01 C ATOM 1247 C LEU A 79 12.967 7.614 2.427 1.00 0.01 C ATOM 1248 O LEU A 79 14.175 7.594 2.545 1.00 0.02 O ATOM 1249 CB LEU A 79 12.695 6.462 0.231 1.00 1.04 C ATOM 1250 CG LEU A 79 11.856 6.379 -1.058 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.284 5.141 -1.858 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.350 6.277 -0.717 1.00 2.61 C ATOM 0 H LEU A 79 13.811 9.156 0.581 1.00 0.01 H new ATOM 0 HA LEU A 79 11.228 7.744 1.118 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.755 6.497 -0.021 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.539 5.565 0.831 1.00 1.04 H new ATOM 0 HG LEU A 79 12.021 7.280 -1.648 1.00 1.85 H new ATOM 0 HD11 LEU A 79 11.694 5.076 -2.772 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.341 5.220 -2.113 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.122 4.246 -1.257 1.00 2.40 H new ATOM 0 HD21 LEU A 79 9.771 6.219 -1.639 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.172 5.383 -0.120 1.00 2.61 H new ATOM 0 HD23 LEU A 79 10.045 7.157 -0.152 1.00 2.61 H new ATOM 1264 N GLY A 80 12.181 7.605 3.476 1.00 0.02 N ATOM 1265 CA GLY A 80 12.754 7.570 4.859 1.00 0.02 C ATOM 1266 C GLY A 80 12.564 6.206 5.533 1.00 0.02 C ATOM 1267 O GLY A 80 13.237 5.907 6.499 1.00 0.01 O ATOM 0 H GLY A 80 11.162 7.620 3.434 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.817 7.806 4.816 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.280 8.342 5.466 1.00 0.02 H new ATOM 1271 N SER A 81 11.671 5.369 5.061 1.00 0.01 N ATOM 1272 CA SER A 81 11.493 4.042 5.738 1.00 0.01 C ATOM 1273 C SER A 81 10.907 3.014 4.773 1.00 0.02 C ATOM 1274 O SER A 81 10.254 3.344 3.804 1.00 0.01 O ATOM 1275 CB SER A 81 10.553 4.205 6.930 1.00 0.01 C ATOM 1276 OG SER A 81 10.202 2.922 7.430 1.00 0.01 O ATOM 0 H SER A 81 11.069 5.539 4.255 1.00 0.01 H new ATOM 0 HA SER A 81 12.469 3.690 6.073 1.00 0.01 H new ATOM 0 HB2 SER A 81 11.036 4.793 7.711 1.00 0.01 H new ATOM 0 HB3 SER A 81 9.657 4.749 6.630 1.00 0.01 H new ATOM 0 HG SER A 81 9.533 3.019 8.139 1.00 0.01 H new ATOM 1282 N CYS A 82 11.140 1.751 5.046 1.00 0.02 N ATOM 1283 CA CYS A 82 10.603 0.676 4.161 1.00 0.01 C ATOM 1284 C CYS A 82 10.230 -0.556 4.993 1.00 0.01 C ATOM 1285 O CYS A 82 10.850 -0.855 5.995 1.00 0.01 O ATOM 1286 CB CYS A 82 11.660 0.294 3.122 1.00 0.01 C ATOM 1287 SG CYS A 82 10.947 -0.867 1.932 1.00 0.02 S ATOM 0 H CYS A 82 11.680 1.421 5.846 1.00 0.02 H new ATOM 0 HA CYS A 82 9.710 1.044 3.656 1.00 0.01 H new ATOM 0 HB2 CYS A 82 12.017 1.186 2.607 1.00 0.01 H new ATOM 0 HB3 CYS A 82 12.522 -0.157 3.614 1.00 0.01 H new ATOM 0 HG CYS A 82 9.698 -0.568 1.729 1.00 0.02 H new ATOM 1293 N ARG A 83 9.223 -1.278 4.572 1.00 0.01 N ATOM 1294 CA ARG A 83 8.793 -2.505 5.317 1.00 0.01 C ATOM 1295 C ARG A 83 8.504 -3.621 4.314 1.00 0.01 C ATOM 1296 O ARG A 83 7.968 -3.392 3.248 1.00 0.01 O ATOM 1297 CB ARG A 83 7.500 -2.219 6.083 1.00 0.01 C ATOM 1298 CG ARG A 83 7.772 -1.213 7.202 1.00 0.01 C ATOM 1299 CD ARG A 83 6.443 -0.659 7.726 1.00 0.01 C ATOM 1300 NE ARG A 83 5.410 -1.732 7.702 1.00 0.01 N ATOM 1301 CZ ARG A 83 4.302 -1.584 8.375 1.00 0.01 C ATOM 1302 NH1 ARG A 83 4.103 -0.501 9.076 1.00 0.01 N ATOM 1303 NH2 ARG A 83 3.394 -2.521 8.350 1.00 0.01 N ATOM 0 H ARG A 83 8.675 -1.070 3.738 1.00 0.01 H new ATOM 0 HA ARG A 83 9.584 -2.797 6.008 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.744 -1.826 5.404 1.00 0.01 H new ATOM 0 HB3 ARG A 83 7.102 -3.144 6.502 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.322 -1.693 8.011 1.00 0.01 H new ATOM 0 HG3 ARG A 83 8.396 -0.400 6.831 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.569 -0.284 8.742 1.00 0.01 H new ATOM 0 HD3 ARG A 83 6.121 0.183 7.113 1.00 0.01 H new ATOM 0 HE ARG A 83 5.569 -2.581 7.160 1.00 0.01 H new ATOM 0 HH11 ARG A 83 4.814 0.230 9.098 1.00 0.01 H new ATOM 0 HH12 ARG A 83 3.237 -0.386 9.602 1.00 0.01 H new ATOM 0 HH21 ARG A 83 3.551 -3.369 7.805 1.00 0.01 H new ATOM 0 HH22 ARG A 83 2.528 -2.406 8.876 1.00 0.01 H new ATOM 1317 N ALA A 84 8.858 -4.834 4.647 1.00 0.01 N ATOM 1318 CA ALA A 84 8.605 -5.963 3.712 1.00 0.01 C ATOM 1319 C ALA A 84 7.135 -6.368 3.797 1.00 0.01 C ATOM 1320 O ALA A 84 6.590 -6.567 4.864 1.00 0.00 O ATOM 1321 CB ALA A 84 9.478 -7.158 4.103 1.00 0.43 C ATOM 0 H ALA A 84 9.310 -5.089 5.525 1.00 0.01 H new ATOM 0 HA ALA A 84 8.845 -5.652 2.695 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.292 -7.985 3.417 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.529 -6.873 4.051 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.236 -7.468 5.119 1.00 0.43 H new ATOM 1327 N VAL A 85 6.500 -6.504 2.667 1.00 0.01 N ATOM 1328 CA VAL A 85 5.071 -6.915 2.641 1.00 0.01 C ATOM 1329 C VAL A 85 4.998 -8.438 2.561 1.00 0.01 C ATOM 1330 O VAL A 85 5.552 -9.044 1.665 1.00 0.01 O ATOM 1331 CB VAL A 85 4.386 -6.302 1.419 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.882 -6.553 1.501 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.644 -4.795 1.393 1.00 1.12 C ATOM 0 H VAL A 85 6.917 -6.346 1.750 1.00 0.01 H new ATOM 0 HA VAL A 85 4.568 -6.568 3.544 1.00 0.01 H new ATOM 0 HB VAL A 85 4.785 -6.758 0.513 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.392 -6.117 0.630 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.693 -7.626 1.524 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.486 -6.096 2.408 1.00 1.25 H new ATOM 0 HG21 VAL A 85 4.156 -4.357 0.522 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.243 -4.342 2.300 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.717 -4.610 1.339 1.00 1.12 H new ATOM 1343 N HIS A 86 4.318 -9.072 3.476 1.00 0.01 N ATOM 1344 CA HIS A 86 4.214 -10.559 3.431 1.00 0.01 C ATOM 1345 C HIS A 86 2.955 -10.939 2.658 1.00 0.01 C ATOM 1346 O HIS A 86 1.884 -10.416 2.897 1.00 0.00 O ATOM 1347 CB HIS A 86 4.113 -11.107 4.856 1.00 0.21 C ATOM 1348 CG HIS A 86 5.275 -10.606 5.670 1.00 0.71 C ATOM 1349 ND1 HIS A 86 5.438 -9.263 5.974 1.00 1.26 N ATOM 1350 CD2 HIS A 86 6.338 -11.253 6.248 1.00 1.20 C ATOM 1351 CE1 HIS A 86 6.562 -9.147 6.704 1.00 1.77 C ATOM 1352 NE2 HIS A 86 7.149 -10.330 6.901 1.00 1.71 N ATOM 0 H HIS A 86 3.830 -8.626 4.253 1.00 0.01 H new ATOM 0 HA HIS A 86 5.095 -10.977 2.943 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.174 -10.793 5.312 1.00 0.21 H new ATOM 0 HB3 HIS A 86 4.111 -12.197 4.839 1.00 0.21 H new ATOM 0 HD2 HIS A 86 6.518 -12.317 6.203 1.00 1.20 H new ATOM 0 HE1 HIS A 86 6.943 -8.211 7.084 1.00 1.77 H new ATOM 0 HE2 HIS A 86 8.008 -10.517 7.419 1.00 1.71 H new ATOM 1360 N LEU A 87 3.079 -11.849 1.729 1.00 0.01 N ATOM 1361 CA LEU A 87 1.896 -12.282 0.927 1.00 0.01 C ATOM 1362 C LEU A 87 1.331 -13.552 1.561 1.00 0.01 C ATOM 1363 O LEU A 87 2.066 -14.440 1.945 1.00 0.01 O ATOM 1364 CB LEU A 87 2.344 -12.579 -0.519 1.00 0.67 C ATOM 1365 CG LEU A 87 3.493 -11.647 -0.921 1.00 1.25 C ATOM 1366 CD1 LEU A 87 3.858 -11.901 -2.386 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.060 -10.188 -0.751 1.00 1.34 C ATOM 0 H LEU A 87 3.954 -12.314 1.489 1.00 0.01 H new ATOM 0 HA LEU A 87 1.137 -11.500 0.911 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.663 -13.618 -0.602 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.504 -12.448 -1.202 1.00 0.67 H new ATOM 0 HG LEU A 87 4.357 -11.842 -0.286 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.675 -11.241 -2.677 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.169 -12.939 -2.509 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.991 -11.705 -3.016 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.880 -9.529 -1.038 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.196 -9.989 -1.385 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.796 -10.006 0.291 1.00 1.34 H new ATOM 1379 N SER A 88 0.028 -13.659 1.650 1.00 0.01 N ATOM 1380 CA SER A 88 -0.609 -14.880 2.229 1.00 0.01 C ATOM 1381 C SER A 88 -1.318 -15.642 1.110 1.00 0.01 C ATOM 1382 O SER A 88 -2.159 -15.081 0.435 1.00 0.01 O ATOM 1383 CB SER A 88 -1.636 -14.476 3.289 1.00 0.81 C ATOM 1384 OG SER A 88 -2.685 -13.744 2.669 1.00 1.08 O ATOM 0 H SER A 88 -0.629 -12.942 1.342 1.00 0.01 H new ATOM 0 HA SER A 88 0.154 -15.508 2.689 1.00 0.01 H new ATOM 0 HB2 SER A 88 -2.036 -15.362 3.781 1.00 0.81 H new ATOM 0 HB3 SER A 88 -1.161 -13.870 4.061 1.00 0.81 H new ATOM 0 HG SER A 88 -2.676 -13.914 1.704 1.00 1.08 H new ATOM 1390 N SER A 89 -1.052 -16.909 0.925 1.00 0.01 N ATOM 1391 CA SER A 89 -1.791 -17.678 -0.126 1.00 0.01 C ATOM 1392 C SER A 89 -2.826 -18.519 0.614 1.00 0.01 C ATOM 1393 O SER A 89 -3.205 -18.172 1.715 1.00 0.01 O ATOM 1394 CB SER A 89 -0.821 -18.590 -0.880 1.00 0.43 C ATOM 1395 OG SER A 89 -1.474 -19.124 -2.024 1.00 1.26 O ATOM 0 H SER A 89 -0.360 -17.443 1.451 1.00 0.01 H new ATOM 0 HA SER A 89 -2.261 -17.015 -0.852 1.00 0.01 H new ATOM 0 HB2 SER A 89 0.064 -18.030 -1.180 1.00 0.43 H new ATOM 0 HB3 SER A 89 -0.482 -19.397 -0.230 1.00 0.43 H new ATOM 0 HG SER A 89 -0.855 -19.708 -2.511 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.272 -19.628 0.077 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.257 -20.474 0.824 1.00 0.00 C ATOM 1403 C GLY A 90 -5.397 -20.957 -0.074 1.00 0.00 C ATOM 1404 O GLY A 90 -5.699 -22.134 -0.109 1.00 0.01 O ATOM 0 H GLY A 90 -3.000 -19.983 -0.840 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.744 -21.335 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.668 -19.902 1.656 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.037 -20.086 -0.811 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.139 -20.565 -1.687 1.00 0.00 C ATOM 1410 C GLY A 91 -7.810 -19.418 -2.455 1.00 0.00 C ATOM 1411 O GLY A 91 -7.306 -18.977 -3.469 1.00 0.01 O ATOM 0 H GLY A 91 -5.847 -19.084 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.746 -21.294 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.885 -21.079 -1.081 1.00 0.00 H new ATOM 1415 N GLN A 92 -8.945 -18.942 -1.995 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.658 -17.830 -2.717 1.00 2.31 C ATOM 1417 C GLN A 92 -9.820 -16.610 -1.804 1.00 1.91 C ATOM 1418 O GLN A 92 -10.415 -16.673 -0.746 1.00 2.31 O ATOM 1419 CB GLN A 92 -11.025 -18.341 -3.179 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.800 -17.201 -3.840 1.00 2.86 C ATOM 1421 CD GLN A 92 -13.011 -17.770 -4.583 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -14.141 -17.489 -4.233 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -12.822 -18.564 -5.600 1.00 4.43 N ATOM 0 H GLN A 92 -9.411 -19.274 -1.150 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.071 -17.521 -3.582 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -10.898 -19.164 -3.882 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.585 -18.731 -2.329 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -12.126 -16.484 -3.087 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -11.154 -16.663 -4.534 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -11.874 -18.800 -5.894 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -13.622 -18.949 -6.102 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.253 -15.501 -2.213 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.326 -14.265 -1.378 1.00 0.01 C ATOM 1434 C ALA A 93 -10.781 -13.772 -1.313 1.00 0.01 C ATOM 1435 O ALA A 93 -11.485 -13.793 -2.303 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.443 -13.183 -2.007 1.00 2.99 C ATOM 0 H ALA A 93 -8.743 -15.400 -3.090 1.00 0.01 H new ATOM 0 HA ALA A 93 -8.977 -14.482 -0.369 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.491 -12.277 -1.403 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.412 -13.535 -2.052 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.796 -12.966 -3.015 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.256 -13.375 -0.139 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.703 -12.933 -0.018 1.00 0.01 C ATOM 1444 C LYS A 94 -12.861 -11.632 0.798 1.00 0.01 C ATOM 1445 O LYS A 94 -12.342 -11.486 1.921 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.516 -14.042 0.658 1.00 2.49 C ATOM 1447 CG LYS A 94 -15.015 -13.755 0.510 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.819 -14.986 0.942 1.00 4.11 C ATOM 1449 CE LYS A 94 -15.452 -15.376 2.377 1.00 5.23 C ATOM 1450 NZ LYS A 94 -16.531 -16.229 2.950 1.00 6.36 N ATOM 0 H LYS A 94 -10.716 -13.338 0.726 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.066 -12.738 -1.027 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.276 -15.006 0.210 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.252 -14.107 1.714 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.293 -12.895 1.119 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.247 -13.501 -0.524 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -16.886 -14.775 0.876 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -15.616 -15.818 0.267 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -14.504 -15.914 2.388 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -15.319 -14.482 2.986 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -16.283 -16.495 3.924 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -17.427 -15.701 2.952 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -16.637 -17.088 2.374 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.615 -10.688 0.234 1.00 0.00 N ATOM 1465 CA ILE A 95 -13.872 -9.379 0.915 1.00 0.01 C ATOM 1466 C ILE A 95 -15.380 -9.033 0.868 1.00 0.01 C ATOM 1467 O ILE A 95 -16.045 -9.222 -0.134 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.058 -8.288 0.191 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.603 -6.887 0.522 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.146 -8.511 -1.319 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.611 -5.817 0.048 1.00 1.09 C ATOM 0 H ILE A 95 -14.061 -10.784 -0.678 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.571 -9.442 1.961 1.00 0.01 H new ATOM 0 HB ILE A 95 -12.022 -8.350 0.525 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.569 -6.739 0.039 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.766 -6.795 1.596 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.572 -7.741 -1.835 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.741 -9.492 -1.566 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.188 -8.458 -1.634 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -13.002 -4.828 0.285 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.655 -5.959 0.551 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.470 -5.903 -1.029 1.00 1.09 H new ATOM 1483 N GLN A 96 -15.891 -8.460 1.939 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.334 -8.010 1.974 1.00 0.01 C ATOM 1485 C GLN A 96 -17.346 -6.519 2.343 1.00 0.01 C ATOM 1486 O GLN A 96 -16.574 -6.097 3.178 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.143 -8.828 2.995 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.301 -9.116 4.240 1.00 0.82 C ATOM 1489 CD GLN A 96 -16.447 -10.367 4.006 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -16.167 -10.722 2.879 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -16.019 -11.049 5.032 1.00 2.05 N ATOM 0 H GLN A 96 -15.370 -8.282 2.797 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.799 -8.166 1.001 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -19.043 -8.281 3.276 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.467 -9.766 2.543 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.660 -8.263 4.463 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -17.949 -9.263 5.104 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -16.255 -10.749 5.978 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -15.448 -11.882 4.888 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.196 -5.708 1.743 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.214 -4.238 2.076 1.00 0.01 C ATOM 1502 C VAL A 97 -19.615 -3.796 2.530 1.00 0.01 C ATOM 1503 O VAL A 97 -20.625 -4.310 2.080 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.803 -3.451 0.829 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.457 -3.972 0.321 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -18.860 -3.634 -0.262 1.00 1.03 C ATOM 0 H VAL A 97 -18.875 -5.999 1.040 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.518 -4.046 2.893 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.717 -2.394 1.079 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.162 -3.413 -0.567 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.702 -3.846 1.097 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.547 -5.029 0.071 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.567 -3.074 -1.150 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -18.945 -4.691 -0.512 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.821 -3.268 0.098 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.670 -2.848 3.449 1.00 0.01 N ATOM 1517 CA PHE A 98 -20.982 -2.357 3.986 1.00 0.01 C ATOM 1518 C PHE A 98 -21.155 -0.854 3.714 1.00 0.01 C ATOM 1519 O PHE A 98 -20.228 -0.055 3.824 1.00 0.01 O ATOM 1520 CB PHE A 98 -21.028 -2.582 5.498 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.045 -4.061 5.814 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -19.900 -4.834 5.595 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.198 -4.655 6.345 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -19.905 -6.200 5.903 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.202 -6.021 6.657 1.00 0.73 C ATOM 1526 CZ PHE A 98 -21.055 -6.793 6.434 1.00 0.69 C ATOM 0 H PHE A 98 -18.850 -2.392 3.850 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.782 -2.907 3.490 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.163 -2.114 5.968 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -21.915 -2.105 5.916 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -19.011 -4.377 5.188 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.083 -4.060 6.514 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -19.021 -6.796 5.731 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -23.089 -6.478 7.069 1.00 0.73 H new ATOM 0 HZ PHE A 98 -21.058 -7.846 6.672 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.356 -0.478 3.356 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.650 0.950 3.047 1.00 0.01 C ATOM 1538 C GLU A 99 -22.565 1.831 4.301 1.00 0.01 C ATOM 1539 O GLU A 99 -22.207 2.988 4.214 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.058 1.059 2.455 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.300 2.489 1.966 1.00 0.01 C ATOM 1542 CD GLU A 99 -25.679 2.580 1.310 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -26.270 1.541 1.073 1.00 0.01 O ATOM 1544 OE2 GLU A 99 -26.120 3.689 1.055 1.00 0.02 O ATOM 0 H GLU A 99 -23.153 -1.108 3.264 1.00 0.01 H new ATOM 0 HA GLU A 99 -21.904 1.300 2.334 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.171 0.357 1.629 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.801 0.790 3.206 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -24.237 3.186 2.802 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -23.527 2.776 1.253 1.00 0.01 H new ATOM 1551 N LYS A 100 -22.900 1.308 5.462 1.00 0.01 N ATOM 1552 CA LYS A 100 -22.847 2.140 6.715 1.00 0.01 C ATOM 1553 C LYS A 100 -21.779 1.600 7.666 1.00 0.01 C ATOM 1554 O LYS A 100 -21.254 0.521 7.484 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.208 2.109 7.415 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.293 2.584 6.446 1.00 1.63 C ATOM 1557 CD LYS A 100 -26.675 2.279 7.033 1.00 2.19 C ATOM 1558 CE LYS A 100 -26.916 3.143 8.275 1.00 2.84 C ATOM 1559 NZ LYS A 100 -28.369 3.142 8.603 1.00 3.18 N ATOM 0 H LYS A 100 -23.207 0.345 5.597 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.597 3.165 6.442 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.429 1.098 7.758 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.189 2.748 8.298 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.191 3.654 6.266 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -25.178 2.087 5.483 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -27.447 2.474 6.289 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -26.744 1.223 7.295 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -26.341 2.757 9.117 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -26.573 4.162 8.095 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -28.503 3.457 9.585 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -28.870 3.788 7.961 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -28.749 2.180 8.492 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.446 2.363 8.669 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.398 1.933 9.637 1.00 0.01 C ATOM 1575 C GLY A 101 -20.895 0.778 10.513 1.00 0.00 C ATOM 1576 O GLY A 101 -22.075 0.511 10.613 1.00 0.01 O ATOM 0 H GLY A 101 -21.859 3.275 8.862 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.504 1.624 9.096 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.114 2.775 10.268 1.00 0.01 H new ATOM 1580 N ASP A 102 -19.977 0.118 11.167 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.328 -1.010 12.079 1.00 0.00 C ATOM 1582 C ASP A 102 -21.096 -2.111 11.345 1.00 0.00 C ATOM 1583 O ASP A 102 -21.995 -2.726 11.883 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.178 -0.479 13.235 1.00 0.01 C ATOM 1585 CG ASP A 102 -20.526 0.777 13.814 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -19.314 0.777 13.957 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -21.248 1.717 14.104 1.00 0.01 O ATOM 0 H ASP A 102 -18.979 0.317 11.106 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.401 -1.442 12.457 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.185 -0.250 12.885 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -21.275 -1.241 14.009 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.714 -2.390 10.130 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.373 -3.480 9.355 1.00 0.01 C ATOM 1594 C PHE A 103 -22.894 -3.307 9.338 1.00 0.00 C ATOM 1595 O PHE A 103 -23.631 -4.211 9.677 1.00 0.01 O ATOM 1596 CB PHE A 103 -21.024 -4.827 9.991 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.554 -4.852 10.340 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.600 -5.076 9.340 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.146 -4.647 11.664 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.238 -5.098 9.664 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -17.784 -4.668 11.988 1.00 0.01 C ATOM 1602 CZ PHE A 103 -16.830 -4.894 10.988 1.00 0.01 C ATOM 0 H PHE A 103 -19.966 -1.905 9.635 1.00 0.01 H new ATOM 0 HA PHE A 103 -21.013 -3.440 8.327 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.624 -4.985 10.887 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.259 -5.639 9.302 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -18.915 -5.232 8.319 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -19.882 -4.473 12.435 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.502 -5.272 8.893 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.469 -4.510 13.009 1.00 0.01 H new ATOM 0 HZ PHE A 103 -15.779 -4.911 11.238 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.368 -2.163 8.916 1.00 0.00 N ATOM 1613 CA ASN A 104 -24.841 -1.921 8.832 1.00 0.01 C ATOM 1614 C ASN A 104 -25.152 -1.377 7.435 1.00 0.01 C ATOM 1615 O ASN A 104 -24.263 -0.979 6.706 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.259 -0.892 9.885 1.00 1.68 C ATOM 1617 CG ASN A 104 -26.731 -0.530 9.690 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -27.509 -1.333 9.217 1.00 3.15 O ATOM 1619 ND2 ASN A 104 -27.151 0.657 10.038 1.00 2.38 N ATOM 0 H ASN A 104 -22.790 -1.376 8.622 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.386 -2.848 9.012 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -25.103 -1.296 10.885 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -24.640 0.001 9.801 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -28.132 0.908 9.912 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -26.498 1.333 10.436 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.397 -1.372 7.040 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.747 -0.865 5.677 1.00 0.01 C ATOM 1628 C GLY A 105 -26.721 -2.032 4.691 1.00 0.01 C ATOM 1629 O GLY A 105 -26.746 -3.182 5.083 1.00 0.01 O ATOM 0 H GLY A 105 -27.186 -1.696 7.599 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.735 -0.404 5.689 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -26.040 -0.095 5.368 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.656 -1.761 3.416 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.613 -2.875 2.430 1.00 0.01 C ATOM 1635 C GLN A 106 -25.211 -3.485 2.426 1.00 0.01 C ATOM 1636 O GLN A 106 -24.212 -2.796 2.539 1.00 0.01 O ATOM 1637 CB GLN A 106 -26.942 -2.335 1.037 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.195 -3.503 0.082 1.00 0.01 C ATOM 1639 CD GLN A 106 -28.524 -4.172 0.436 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -28.565 -5.351 0.724 1.00 0.01 O ATOM 1641 NE2 GLN A 106 -29.621 -3.465 0.428 1.00 0.01 N ATOM 0 H GLN A 106 -26.631 -0.822 3.017 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.343 -3.637 2.702 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.821 -1.692 1.083 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.119 -1.723 0.669 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -27.218 -3.146 -0.948 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -26.382 -4.226 0.151 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -29.588 -2.475 0.186 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -30.512 -3.903 0.664 1.00 0.01 H new ATOM 1650 N MET A 107 -25.143 -4.787 2.301 1.00 0.01 N ATOM 1651 CA MET A 107 -23.828 -5.500 2.293 1.00 0.01 C ATOM 1652 C MET A 107 -23.623 -6.183 0.941 1.00 0.01 C ATOM 1653 O MET A 107 -24.545 -6.705 0.346 1.00 0.01 O ATOM 1654 CB MET A 107 -23.825 -6.569 3.389 1.00 0.00 C ATOM 1655 CG MET A 107 -22.429 -7.187 3.515 1.00 0.01 C ATOM 1656 SD MET A 107 -22.517 -8.649 4.580 1.00 0.01 S ATOM 1657 CE MET A 107 -22.840 -9.863 3.278 1.00 0.01 C ATOM 0 H MET A 107 -25.956 -5.395 2.203 1.00 0.01 H new ATOM 0 HA MET A 107 -23.028 -4.781 2.469 1.00 0.01 H new ATOM 0 HB2 MET A 107 -24.123 -6.127 4.340 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.555 -7.344 3.155 1.00 0.00 H new ATOM 0 HG2 MET A 107 -22.050 -7.462 2.531 1.00 0.01 H new ATOM 0 HG3 MET A 107 -21.733 -6.460 3.933 1.00 0.01 H new ATOM 0 HE1 MET A 107 -22.932 -10.855 3.720 1.00 0.01 H new ATOM 0 HE2 MET A 107 -23.767 -9.608 2.764 1.00 0.01 H new ATOM 0 HE3 MET A 107 -22.016 -9.859 2.564 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.403 -6.198 0.471 1.00 0.01 N ATOM 1668 CA TYR A 108 -22.078 -6.862 -0.829 1.00 0.00 C ATOM 1669 C TYR A 108 -20.845 -7.747 -0.619 1.00 0.01 C ATOM 1670 O TYR A 108 -19.895 -7.363 0.037 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.777 -5.802 -1.891 1.00 0.54 C ATOM 1672 CG TYR A 108 -23.066 -5.153 -2.334 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.889 -5.796 -3.266 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.441 -3.909 -1.810 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -25.085 -5.197 -3.676 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.637 -3.309 -2.220 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.459 -3.954 -3.153 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.639 -3.363 -3.557 1.00 2.48 O ATOM 0 H TYR A 108 -21.604 -5.771 0.940 1.00 0.01 H new ATOM 0 HA TYR A 108 -22.922 -7.464 -1.165 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -21.099 -5.050 -1.488 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.275 -6.259 -2.744 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.600 -6.756 -3.669 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.807 -3.413 -1.090 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.719 -5.693 -4.396 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -24.926 -2.349 -1.817 1.00 1.51 H new ATOM 0 HH TYR A 108 -26.749 -2.504 -3.098 1.00 2.48 H new ATOM 1688 N GLU A 109 -20.877 -8.945 -1.151 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.739 -9.908 -0.978 1.00 0.01 C ATOM 1690 C GLU A 109 -19.104 -10.206 -2.335 1.00 0.01 C ATOM 1691 O GLU A 109 -19.790 -10.447 -3.307 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.296 -11.196 -0.372 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.141 -12.142 -0.040 1.00 0.01 C ATOM 1694 CD GLU A 109 -19.670 -13.332 0.761 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -20.422 -13.104 1.693 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -19.314 -14.451 0.429 1.00 0.00 O ATOM 0 H GLU A 109 -21.654 -9.303 -1.706 1.00 0.01 H new ATOM 0 HA GLU A 109 -18.978 -9.482 -0.324 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -20.866 -10.970 0.529 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -20.982 -11.673 -1.072 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.667 -12.490 -0.958 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -18.378 -11.615 0.533 1.00 0.01 H new ATOM 1703 N THR A 110 -17.791 -10.185 -2.420 1.00 0.01 N ATOM 1704 CA THR A 110 -17.137 -10.463 -3.735 1.00 0.00 C ATOM 1705 C THR A 110 -15.766 -11.126 -3.552 1.00 0.01 C ATOM 1706 O THR A 110 -15.042 -10.893 -2.590 1.00 0.01 O ATOM 1707 CB THR A 110 -16.950 -9.153 -4.505 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.404 -9.434 -5.786 1.00 1.65 O ATOM 1709 CG2 THR A 110 -15.999 -8.237 -3.733 1.00 1.69 C ATOM 0 H THR A 110 -17.156 -9.990 -1.646 1.00 0.01 H new ATOM 0 HA THR A 110 -17.783 -11.144 -4.289 1.00 0.00 H new ATOM 0 HB THR A 110 -17.914 -8.657 -4.621 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.285 -8.597 -6.282 1.00 1.65 H new ATOM 0 HG21 THR A 110 -15.866 -7.305 -4.282 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.418 -8.023 -2.750 1.00 1.69 H new ATOM 0 HG23 THR A 110 -15.034 -8.730 -3.616 1.00 1.69 H new ATOM 1717 N THR A 111 -15.424 -11.958 -4.506 1.00 0.00 N ATOM 1718 CA THR A 111 -14.120 -12.686 -4.496 1.00 0.01 C ATOM 1719 C THR A 111 -13.259 -12.235 -5.686 1.00 0.01 C ATOM 1720 O THR A 111 -12.233 -12.820 -5.969 1.00 0.01 O ATOM 1721 CB THR A 111 -14.382 -14.190 -4.606 1.00 0.01 C ATOM 1722 OG1 THR A 111 -14.602 -14.530 -5.967 1.00 0.01 O ATOM 1723 CG2 THR A 111 -15.615 -14.559 -3.781 1.00 0.01 C ATOM 0 H THR A 111 -16.013 -12.167 -5.312 1.00 0.00 H new ATOM 0 HA THR A 111 -13.593 -12.466 -3.567 1.00 0.01 H new ATOM 0 HB THR A 111 -13.519 -14.738 -4.227 1.00 0.01 H new ATOM 0 HG1 THR A 111 -14.768 -15.493 -6.041 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.799 -15.630 -3.861 1.00 0.01 H new ATOM 0 HG22 THR A 111 -15.446 -14.297 -2.737 1.00 0.01 H new ATOM 0 HG23 THR A 111 -16.481 -14.013 -4.156 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.694 -11.225 -6.409 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.930 -10.758 -7.620 1.00 0.01 C ATOM 1733 C GLU A 112 -12.546 -9.280 -7.500 1.00 0.01 C ATOM 1734 O GLU A 112 -13.100 -8.543 -6.708 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.803 -10.944 -8.862 1.00 0.85 C ATOM 1736 CG GLU A 112 -14.202 -12.416 -8.993 1.00 1.61 C ATOM 1737 CD GLU A 112 -15.070 -12.598 -10.237 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -16.211 -12.166 -10.209 1.00 3.07 O ATOM 1739 OE2 GLU A 112 -14.580 -13.167 -11.199 1.00 3.21 O ATOM 0 H GLU A 112 -14.547 -10.702 -6.213 1.00 0.01 H new ATOM 0 HA GLU A 112 -12.016 -11.347 -7.698 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.694 -10.320 -8.789 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.261 -10.623 -9.751 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -13.312 -13.041 -9.063 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -14.747 -12.737 -8.105 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.611 -8.836 -8.302 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.193 -7.405 -8.268 1.00 0.01 C ATOM 1748 C ASP A 113 -12.321 -6.524 -8.823 1.00 0.00 C ATOM 1749 O ASP A 113 -13.121 -6.959 -9.626 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.949 -7.232 -9.142 1.00 0.01 C ATOM 1751 CG ASP A 113 -10.133 -8.003 -10.451 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -11.271 -8.215 -10.836 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -9.132 -8.366 -11.046 1.00 0.00 O ATOM 0 H ASP A 113 -11.116 -9.411 -8.984 1.00 0.01 H new ATOM 0 HA ASP A 113 -10.976 -7.112 -7.241 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.782 -6.175 -9.350 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -9.067 -7.596 -8.614 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.365 -5.278 -8.413 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.411 -4.332 -8.927 1.00 0.01 C ATOM 1760 C CYS A 114 -12.722 -3.063 -9.477 1.00 0.01 C ATOM 1761 O CYS A 114 -12.126 -2.331 -8.710 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.326 -3.926 -7.773 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.512 -2.687 -8.350 1.00 0.01 S ATOM 0 H CYS A 114 -11.716 -4.872 -7.739 1.00 0.01 H new ATOM 0 HA CYS A 114 -13.988 -4.817 -9.714 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -14.854 -4.799 -7.389 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -13.735 -3.524 -6.950 1.00 0.01 H new ATOM 0 HG CYS A 114 -16.616 -2.795 -7.673 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.802 -2.762 -10.767 1.00 0.01 N ATOM 1770 CA PRO A 115 -12.153 -1.525 -11.291 1.00 0.01 C ATOM 1771 C PRO A 115 -12.953 -0.269 -10.914 1.00 0.01 C ATOM 1772 O PRO A 115 -12.391 0.793 -10.718 1.00 0.01 O ATOM 1773 CB PRO A 115 -12.163 -1.767 -12.811 1.00 0.01 C ATOM 1774 CG PRO A 115 -13.201 -2.867 -13.104 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.507 -3.603 -11.784 1.00 0.01 C ATOM 0 HA PRO A 115 -11.156 -1.350 -10.886 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.417 -0.850 -13.342 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -11.175 -2.072 -13.156 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -14.111 -2.431 -13.516 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.816 -3.565 -13.848 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.578 -3.659 -11.591 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -13.131 -4.626 -11.794 1.00 0.01 H new ATOM 1783 N SER A 116 -14.256 -0.375 -10.830 1.00 0.01 N ATOM 1784 CA SER A 116 -15.094 0.813 -10.475 1.00 0.02 C ATOM 1785 C SER A 116 -16.248 0.362 -9.574 1.00 0.01 C ATOM 1786 O SER A 116 -17.166 -0.318 -9.999 1.00 0.00 O ATOM 1787 CB SER A 116 -15.647 1.441 -11.755 1.00 0.01 C ATOM 1788 OG SER A 116 -16.156 0.418 -12.601 1.00 0.01 O ATOM 0 H SER A 116 -14.778 -1.236 -10.993 1.00 0.01 H new ATOM 0 HA SER A 116 -14.490 1.550 -9.946 1.00 0.02 H new ATOM 0 HB2 SER A 116 -16.435 2.153 -11.512 1.00 0.01 H new ATOM 0 HB3 SER A 116 -14.863 1.997 -12.269 1.00 0.01 H new ATOM 0 HG SER A 116 -16.557 -0.289 -12.054 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.177 0.717 -8.317 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.226 0.302 -7.343 1.00 0.01 C ATOM 1796 C ILE A 117 -18.577 0.918 -7.695 1.00 0.01 C ATOM 1797 O ILE A 117 -19.601 0.282 -7.556 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.810 0.762 -5.946 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.531 0.031 -5.538 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.919 0.444 -4.940 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.938 0.690 -4.295 1.00 1.83 C ATOM 0 H ILE A 117 -15.427 1.284 -7.921 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.326 -0.783 -7.376 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.636 1.838 -5.957 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.748 -1.018 -5.337 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.809 0.056 -6.355 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.615 0.775 -3.947 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.833 0.961 -5.231 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -18.099 -0.631 -4.925 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -14.026 0.167 -4.006 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.705 1.733 -4.512 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.659 0.641 -3.479 1.00 1.83 H new ATOM 1813 N MET A 118 -18.599 2.152 -8.117 1.00 0.02 N ATOM 1814 CA MET A 118 -19.907 2.785 -8.434 1.00 0.01 C ATOM 1815 C MET A 118 -20.530 2.106 -9.649 1.00 0.01 C ATOM 1816 O MET A 118 -21.724 1.915 -9.713 1.00 0.02 O ATOM 1817 CB MET A 118 -19.724 4.279 -8.706 1.00 0.24 C ATOM 1818 CG MET A 118 -21.094 4.944 -8.842 1.00 0.63 C ATOM 1819 SD MET A 118 -20.876 6.698 -9.234 1.00 1.20 S ATOM 1820 CE MET A 118 -22.479 6.952 -10.033 1.00 1.34 C ATOM 0 H MET A 118 -17.778 2.742 -8.254 1.00 0.02 H new ATOM 0 HA MET A 118 -20.571 2.666 -7.578 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.163 4.741 -7.894 1.00 0.24 H new ATOM 0 HB3 MET A 118 -19.145 4.425 -9.618 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.672 4.454 -9.626 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.657 4.835 -7.915 1.00 0.63 H new ATOM 0 HE1 MET A 118 -22.562 7.988 -10.361 1.00 1.34 H new ATOM 0 HE2 MET A 118 -22.565 6.291 -10.895 1.00 1.34 H new ATOM 0 HE3 MET A 118 -23.278 6.730 -9.325 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.749 1.729 -10.614 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.338 1.067 -11.806 1.00 0.02 C ATOM 1832 C GLU A 119 -20.843 -0.326 -11.428 1.00 0.02 C ATOM 1833 O GLU A 119 -21.845 -0.791 -11.931 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.273 0.944 -12.897 1.00 0.30 C ATOM 1835 CG GLU A 119 -19.939 0.573 -14.223 1.00 0.99 C ATOM 1836 CD GLU A 119 -18.866 0.388 -15.296 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -18.284 -0.685 -15.347 1.00 2.07 O ATOM 1838 OE2 GLU A 119 -18.642 1.321 -16.049 1.00 2.11 O ATOM 0 H GLU A 119 -18.736 1.848 -10.632 1.00 0.01 H new ATOM 0 HA GLU A 119 -21.172 1.664 -12.174 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.733 1.885 -13.000 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -18.541 0.185 -12.621 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -20.516 -0.344 -14.108 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -20.638 1.354 -14.523 1.00 0.99 H new ATOM 1845 N GLN A 120 -20.119 -1.020 -10.589 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.518 -2.412 -10.231 1.00 0.01 C ATOM 1847 C GLN A 120 -21.627 -2.450 -9.173 1.00 0.01 C ATOM 1848 O GLN A 120 -22.567 -3.211 -9.286 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.294 -3.157 -9.698 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.588 -4.658 -9.652 1.00 1.07 C ATOM 1851 CD GLN A 120 -19.629 -5.215 -11.075 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -18.600 -5.459 -11.675 1.00 0.98 O ATOM 1853 NE2 GLN A 120 -20.784 -5.428 -11.645 1.00 2.08 N ATOM 0 H GLN A 120 -19.269 -0.683 -10.137 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.907 -2.887 -11.132 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.432 -2.964 -10.336 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -19.040 -2.795 -8.702 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -18.822 -5.172 -9.071 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.540 -4.837 -9.153 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -21.647 -5.223 -11.141 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -20.824 -5.799 -12.594 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.486 -1.691 -8.109 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.495 -1.748 -6.996 1.00 0.01 C ATOM 1864 C PHE A 121 -23.324 -0.466 -6.883 1.00 0.01 C ATOM 1865 O PHE A 121 -24.184 -0.359 -6.033 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.756 -1.976 -5.678 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.943 -3.246 -5.770 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -21.529 -4.476 -5.445 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -19.606 -3.194 -6.179 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -20.775 -5.654 -5.528 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -18.853 -4.371 -6.263 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.437 -5.601 -5.938 1.00 0.01 C ATOM 0 H PHE A 121 -20.718 -1.036 -7.962 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.184 -2.564 -7.216 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -21.104 -1.129 -5.463 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.469 -2.047 -4.856 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -22.561 -4.516 -5.131 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -19.155 -2.245 -6.430 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -21.226 -6.603 -5.276 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -17.821 -4.330 -6.579 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.856 -6.509 -6.003 1.00 0.01 H new ATOM 1882 N HIS A 122 -23.077 0.510 -7.708 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.861 1.774 -7.612 1.00 0.01 C ATOM 1884 C HIS A 122 -23.655 2.399 -6.229 1.00 0.01 C ATOM 1885 O HIS A 122 -24.545 3.017 -5.679 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.345 1.468 -7.846 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.480 0.432 -8.928 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -25.981 -0.836 -8.678 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -25.183 0.459 -10.268 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -25.973 -1.513 -9.841 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.496 -0.770 -10.842 1.00 0.01 N ATOM 0 H HIS A 122 -22.370 0.490 -8.442 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.521 2.480 -8.370 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.803 1.108 -6.924 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.874 2.377 -8.131 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -24.769 1.305 -10.797 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -26.311 -2.533 -9.951 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -25.385 -1.044 -11.818 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.474 2.244 -5.667 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.182 2.828 -4.310 1.00 0.01 C ATOM 1901 C LEU A 123 -21.146 3.946 -4.471 1.00 0.02 C ATOM 1902 O LEU A 123 -20.169 3.802 -5.179 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.612 1.726 -3.386 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.746 1.029 -2.603 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.271 -0.345 -2.117 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.137 1.869 -1.377 1.00 0.01 C ATOM 0 H LEU A 123 -21.697 1.737 -6.091 1.00 0.01 H new ATOM 0 HA LEU A 123 -23.096 3.227 -3.870 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -21.069 0.991 -3.980 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -20.897 2.163 -2.689 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.605 0.918 -3.264 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -23.074 -0.833 -1.565 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -21.995 -0.959 -2.974 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.406 -0.221 -1.465 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -23.937 1.368 -0.833 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.272 1.985 -0.724 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.480 2.851 -1.703 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.361 5.065 -3.826 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.399 6.201 -3.944 1.00 0.00 C ATOM 1920 C ARG A 124 -19.350 6.136 -2.829 1.00 0.01 C ATOM 1921 O ARG A 124 -18.275 6.690 -2.945 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.160 7.524 -3.839 1.00 1.67 C ATOM 1923 CG ARG A 124 -22.133 7.647 -5.013 1.00 1.98 C ATOM 1924 CD ARG A 124 -22.766 9.040 -5.009 1.00 2.92 C ATOM 1925 NE ARG A 124 -23.790 9.121 -6.090 1.00 3.54 N ATOM 1926 CZ ARG A 124 -24.659 10.093 -6.095 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -24.638 10.994 -5.151 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -25.554 10.165 -7.044 1.00 5.32 N ATOM 0 H ARG A 124 -22.164 5.240 -3.221 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.895 6.133 -4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.704 7.569 -2.896 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.460 8.360 -3.844 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -21.608 7.477 -5.953 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -22.908 6.884 -4.938 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -23.226 9.240 -4.041 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -22.000 9.800 -5.161 1.00 2.92 H new ATOM 0 HE ARG A 124 -23.811 8.415 -6.826 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -23.941 10.938 -4.408 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -25.318 11.754 -5.156 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -25.573 9.461 -7.781 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -26.234 10.926 -7.047 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.662 5.482 -1.736 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.695 5.404 -0.598 1.00 0.01 C ATOM 1944 C GLU A 125 -18.876 4.079 0.155 1.00 0.01 C ATOM 1945 O GLU A 125 -19.890 3.420 0.033 1.00 0.01 O ATOM 1946 CB GLU A 125 -18.967 6.555 0.372 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.815 7.888 -0.364 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.801 9.033 0.651 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.843 9.302 1.226 1.00 0.02 O ATOM 1950 OE2 GLU A 125 -17.748 9.621 0.835 1.00 0.01 O ATOM 0 H GLU A 125 -20.547 4.998 -1.584 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.680 5.467 -0.990 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -19.972 6.467 0.784 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.273 6.509 1.211 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.893 7.892 -0.945 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.636 8.022 -1.068 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.908 3.706 0.958 1.00 0.01 N ATOM 1958 CA ILE A 126 -18.014 2.443 1.765 1.00 0.01 C ATOM 1959 C ILE A 126 -17.631 2.787 3.207 1.00 0.01 C ATOM 1960 O ILE A 126 -16.628 3.435 3.435 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.051 1.391 1.199 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.641 0.842 -0.104 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -16.874 0.246 2.206 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.624 -0.066 -0.793 1.00 1.70 C ATOM 0 H ILE A 126 -17.040 4.226 1.092 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.025 2.038 1.727 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.078 1.845 1.010 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.555 0.286 0.106 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -17.914 1.665 -0.765 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.189 -0.496 1.796 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.467 0.640 3.137 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.840 -0.220 2.400 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.050 -0.453 -1.719 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.722 0.503 -1.019 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.373 -0.897 -0.134 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.445 2.422 4.180 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.130 2.820 5.599 1.00 0.01 C ATOM 1978 C HIS A 127 -17.644 1.651 6.461 1.00 0.01 C ATOM 1979 O HIS A 127 -17.093 1.861 7.524 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.371 3.453 6.240 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.584 4.838 5.685 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.417 5.130 4.340 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -19.949 6.019 6.283 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.679 6.440 4.174 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -20.008 7.029 5.327 1.00 0.02 N ATOM 0 H HIS A 127 -19.298 1.876 4.057 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.311 3.538 5.553 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.247 2.835 6.045 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.248 3.500 7.322 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -20.158 6.145 7.335 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -19.629 6.952 3.225 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.250 8.009 5.475 1.00 0.02 H new ATOM 1993 N SER A 128 -17.790 0.430 6.025 1.00 0.01 N ATOM 1994 CA SER A 128 -17.271 -0.705 6.851 1.00 0.01 C ATOM 1995 C SER A 128 -16.994 -1.884 5.924 1.00 0.01 C ATOM 1996 O SER A 128 -17.584 -2.004 4.873 1.00 0.01 O ATOM 1997 CB SER A 128 -18.314 -1.096 7.910 1.00 0.01 C ATOM 1998 OG SER A 128 -18.335 -2.510 8.059 1.00 0.01 O ATOM 0 H SER A 128 -18.238 0.168 5.147 1.00 0.01 H new ATOM 0 HA SER A 128 -16.354 -0.413 7.363 1.00 0.01 H new ATOM 0 HB2 SER A 128 -18.075 -0.623 8.863 1.00 0.01 H new ATOM 0 HB3 SER A 128 -19.300 -0.737 7.614 1.00 0.01 H new ATOM 0 HG SER A 128 -18.284 -2.739 9.010 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.088 -2.755 6.274 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.787 -3.893 5.367 1.00 0.01 C ATOM 2006 C CYS A 129 -15.056 -4.985 6.137 1.00 0.00 C ATOM 2007 O CYS A 129 -14.260 -4.716 7.015 1.00 0.01 O ATOM 2008 CB CYS A 129 -14.901 -3.398 4.227 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.220 -4.808 3.321 1.00 1.22 S ATOM 0 H CYS A 129 -15.549 -2.728 7.140 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.717 -4.297 4.967 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.480 -2.766 3.553 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.092 -2.784 4.623 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.151 -5.697 3.139 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.313 -6.224 5.804 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.633 -7.351 6.505 1.00 0.01 C ATOM 2017 C LYS A 130 -13.888 -8.195 5.476 1.00 0.01 C ATOM 2018 O LYS A 130 -14.465 -8.875 4.657 1.00 0.01 O ATOM 2019 CB LYS A 130 -15.678 -8.213 7.241 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.020 -8.944 8.419 1.00 0.80 C ATOM 2021 CD LYS A 130 -15.932 -10.073 8.906 1.00 0.29 C ATOM 2022 CE LYS A 130 -17.226 -9.481 9.468 1.00 0.33 C ATOM 2023 NZ LYS A 130 -17.944 -10.518 10.261 1.00 1.41 N ATOM 0 H LYS A 130 -15.968 -6.503 5.073 1.00 0.01 H new ATOM 0 HA LYS A 130 -13.926 -6.960 7.236 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -16.492 -7.584 7.602 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -16.115 -8.936 6.552 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.056 -9.350 8.114 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -14.828 -8.243 9.232 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -16.158 -10.752 8.084 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -15.425 -10.659 9.673 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -17.001 -8.619 10.096 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -17.859 -9.127 8.655 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -18.824 -10.116 10.643 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -18.171 -11.328 9.649 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -17.339 -10.836 11.045 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.595 -8.151 5.542 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.742 -8.946 4.621 1.00 0.01 C ATOM 2039 C VAL A 131 -11.161 -10.055 5.460 1.00 0.01 C ATOM 2040 O VAL A 131 -10.450 -9.786 6.416 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.605 -8.072 4.079 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -9.804 -8.856 3.039 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.184 -6.816 3.426 1.00 0.01 C ATOM 0 H VAL A 131 -12.077 -7.583 6.213 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.312 -9.326 3.773 1.00 0.01 H new ATOM 0 HB VAL A 131 -9.952 -7.786 4.904 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -8.997 -8.232 2.656 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.384 -9.749 3.501 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.460 -9.146 2.218 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.372 -6.198 3.042 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -11.841 -7.103 2.605 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.752 -6.251 4.165 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.374 -11.308 5.097 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.719 -12.394 5.892 1.00 0.01 C ATOM 2055 C VAL A 132 -10.380 -13.534 4.949 1.00 0.00 C ATOM 2056 O VAL A 132 -10.941 -14.606 5.039 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.685 -12.899 6.968 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -10.939 -13.828 7.928 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.246 -11.711 7.752 1.00 1.98 C ATOM 0 H VAL A 132 -11.952 -11.612 4.313 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.817 -12.015 6.372 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.502 -13.442 6.493 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.626 -14.188 8.694 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.537 -14.676 7.374 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.122 -13.283 8.401 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -12.933 -12.072 8.517 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.428 -11.169 8.226 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.777 -11.045 7.072 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.463 -13.326 4.062 1.00 0.01 N ATOM 2070 CA GLU A 133 -9.067 -14.402 3.119 1.00 0.01 C ATOM 2071 C GLU A 133 -8.112 -13.767 2.108 1.00 0.01 C ATOM 2072 O GLU A 133 -8.539 -12.978 1.284 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.326 -15.003 2.432 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.533 -16.470 2.857 1.00 0.00 C ATOM 2075 CD GLU A 133 -11.954 -16.911 2.496 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -12.228 -17.054 1.317 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -12.744 -17.098 3.408 1.00 0.00 O ATOM 0 H GLU A 133 -8.961 -12.446 3.945 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.572 -15.227 3.631 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.205 -14.416 2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.217 -14.945 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -9.805 -17.110 2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -10.370 -16.575 3.930 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.847 -14.085 2.157 1.00 0.01 N ATOM 2085 CA GLY A 134 -5.889 -13.476 1.187 1.00 0.01 C ATOM 2086 C GLY A 134 -5.690 -11.992 1.519 1.00 0.01 C ATOM 2087 O GLY A 134 -6.187 -11.499 2.512 1.00 0.01 O ATOM 0 H GLY A 134 -6.435 -14.738 2.824 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -4.934 -13.999 1.228 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.268 -13.584 0.171 1.00 0.01 H new ATOM 2091 N THR A 135 -4.963 -11.276 0.690 1.00 0.01 N ATOM 2092 CA THR A 135 -4.716 -9.815 0.939 1.00 0.01 C ATOM 2093 C THR A 135 -5.430 -8.988 -0.138 1.00 0.01 C ATOM 2094 O THR A 135 -5.518 -9.392 -1.281 1.00 0.01 O ATOM 2095 CB THR A 135 -3.210 -9.544 0.878 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.520 -10.557 1.596 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.901 -8.181 1.500 1.00 2.30 C ATOM 0 H THR A 135 -4.527 -11.644 -0.155 1.00 0.01 H new ATOM 0 HA THR A 135 -5.099 -9.538 1.921 1.00 0.01 H new ATOM 0 HB THR A 135 -2.887 -9.545 -0.163 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.556 -10.387 1.557 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.828 -7.995 1.453 1.00 2.30 H new ATOM 0 HG22 THR A 135 -3.429 -7.402 0.950 1.00 2.30 H new ATOM 0 HG23 THR A 135 -3.226 -8.174 2.541 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.947 -7.835 0.223 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.676 -6.968 -0.765 1.00 0.01 C ATOM 2107 C TRP A 136 -6.143 -5.533 -0.711 1.00 0.01 C ATOM 2108 O TRP A 136 -5.793 -5.029 0.334 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.171 -6.959 -0.423 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.787 -8.264 -0.808 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.745 -9.392 -0.066 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.542 -8.592 -2.011 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.428 -10.391 -0.732 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.937 -9.948 -1.936 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.919 -7.854 -3.147 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.680 -10.549 -2.951 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.667 -8.458 -4.170 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.046 -9.803 -4.072 1.00 0.01 C ATOM 0 H TRP A 136 -5.895 -7.453 1.168 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.521 -7.368 -1.767 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.308 -6.783 0.644 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.668 -6.143 -0.947 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.257 -9.496 0.892 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.542 -11.340 -0.377 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.631 -6.817 -3.233 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -10.971 -11.586 -2.870 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -10.952 -7.882 -5.038 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.621 -10.262 -4.863 1.00 0.01 H new ATOM 2129 N ILE A 137 -6.117 -4.851 -1.831 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.653 -3.424 -1.857 1.00 0.00 C ATOM 2131 C ILE A 137 -6.826 -2.563 -2.328 1.00 0.01 C ATOM 2132 O ILE A 137 -7.555 -2.944 -3.216 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.501 -3.258 -2.856 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.399 -4.277 -2.553 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.925 -1.839 -2.740 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.176 -3.989 -3.436 1.00 1.69 C ATOM 0 H ILE A 137 -6.400 -5.224 -2.737 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.311 -3.129 -0.865 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.876 -3.422 -3.866 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -3.121 -4.225 -1.500 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.763 -5.288 -2.737 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -3.106 -1.720 -3.449 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.705 -1.110 -2.960 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.554 -1.678 -1.728 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.392 -4.715 -3.220 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.460 -4.063 -4.486 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.807 -2.984 -3.230 1.00 1.69 H new ATOM 2148 N PHE A 138 -6.981 -1.385 -1.762 1.00 0.01 N ATOM 2149 CA PHE A 138 -8.079 -0.453 -2.201 1.00 0.01 C ATOM 2150 C PHE A 138 -7.422 0.782 -2.821 1.00 0.01 C ATOM 2151 O PHE A 138 -6.390 1.232 -2.368 1.00 0.00 O ATOM 2152 CB PHE A 138 -9.006 -0.100 -0.998 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.701 1.248 -0.338 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -8.845 2.460 -1.044 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.311 1.282 1.010 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -8.588 3.680 -0.406 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.060 2.505 1.644 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.195 3.701 0.936 1.00 2.49 C ATOM 0 H PHE A 138 -6.392 -1.026 -1.011 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.719 -0.923 -2.947 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -10.041 -0.097 -1.341 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.921 -0.886 -0.247 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.154 2.448 -2.079 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.204 0.360 1.561 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -8.693 4.606 -0.951 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.762 2.523 2.682 1.00 2.01 H new ATOM 0 HZ PHE A 138 -7.996 4.643 1.425 1.00 2.49 H new ATOM 2168 N TYR A 139 -8.024 1.339 -3.851 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.459 2.558 -4.515 1.00 0.01 C ATOM 2170 C TYR A 139 -8.507 3.675 -4.480 1.00 0.01 C ATOM 2171 O TYR A 139 -9.702 3.427 -4.565 1.00 0.01 O ATOM 2172 CB TYR A 139 -7.100 2.242 -5.971 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.241 0.997 -6.027 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.816 -0.254 -5.791 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.874 1.092 -6.322 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -6.031 -1.410 -5.845 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -4.087 -0.066 -6.376 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.666 -1.317 -6.137 1.00 0.02 C ATOM 2179 OH TYR A 139 -3.891 -2.457 -6.190 1.00 0.00 O ATOM 0 H TYR A 139 -8.892 0.995 -4.262 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.559 2.874 -3.988 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -8.008 2.095 -6.556 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.567 3.083 -6.415 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -7.870 -0.329 -5.566 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.427 2.058 -6.508 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.479 -2.375 -5.661 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -3.033 0.007 -6.602 1.00 0.02 H new ATOM 0 HH TYR A 139 -4.448 -3.240 -5.999 1.00 0.00 H new ATOM 2189 N GLU A 140 -8.072 4.895 -4.304 1.00 0.01 N ATOM 2190 CA GLU A 140 -9.026 6.036 -4.184 1.00 0.02 C ATOM 2191 C GLU A 140 -9.668 6.392 -5.530 1.00 0.01 C ATOM 2192 O GLU A 140 -10.781 6.881 -5.557 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.239 7.244 -3.674 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.203 8.388 -3.366 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.426 9.566 -2.779 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -7.637 9.339 -1.875 1.00 0.01 O ATOM 2197 OE2 GLU A 140 -8.627 10.673 -3.246 1.00 0.02 O ATOM 0 H GLU A 140 -7.087 5.152 -4.238 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.829 5.755 -3.502 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.679 6.975 -2.778 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.511 7.559 -4.422 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.720 8.696 -4.275 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -9.966 8.055 -2.662 1.00 0.02 H new ATOM 2204 N LEU A 141 -9.002 6.177 -6.647 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.619 6.534 -7.973 1.00 0.02 C ATOM 2206 C LEU A 141 -9.834 5.246 -8.796 1.00 0.01 C ATOM 2207 O LEU A 141 -9.122 4.271 -8.613 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.654 7.476 -8.723 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.843 8.932 -8.244 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.570 9.738 -8.519 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -10.018 9.589 -8.983 1.00 1.24 C ATOM 0 H LEU A 141 -8.067 5.774 -6.698 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.579 7.028 -7.825 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.624 7.162 -8.554 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.835 7.413 -9.796 1.00 0.57 H new ATOM 0 HG LEU A 141 -9.051 8.920 -7.174 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.709 10.764 -8.179 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.733 9.289 -7.985 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.361 9.735 -9.589 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -10.139 10.615 -8.635 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.819 9.591 -10.055 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.932 9.028 -8.785 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.798 5.236 -9.705 1.00 0.01 N ATOM 2224 CA PRO A 142 -11.069 4.026 -10.537 1.00 0.01 C ATOM 2225 C PRO A 142 -9.825 3.531 -11.278 1.00 0.01 C ATOM 2226 O PRO A 142 -8.820 4.207 -11.388 1.00 0.01 O ATOM 2227 CB PRO A 142 -12.150 4.524 -11.524 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.376 6.028 -11.281 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.679 6.411 -9.966 1.00 0.01 C ATOM 0 HA PRO A 142 -11.381 3.170 -9.939 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.834 4.350 -12.552 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -13.079 3.973 -11.378 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -11.973 6.612 -12.109 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.442 6.248 -11.225 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -11.105 7.332 -10.066 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.395 6.567 -9.159 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.931 2.343 -11.802 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.814 1.736 -12.575 1.00 0.01 C ATOM 2239 C ASN A 143 -7.558 1.609 -11.714 1.00 0.01 C ATOM 2240 O ASN A 143 -6.445 1.651 -12.201 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.506 2.615 -13.789 1.00 0.23 C ATOM 2242 CG ASN A 143 -7.637 1.834 -14.778 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -6.463 2.110 -14.921 1.00 0.75 O ATOM 2244 ND2 ASN A 143 -8.168 0.864 -15.472 1.00 0.56 N ATOM 0 H ASN A 143 -10.762 1.756 -11.725 1.00 0.01 H new ATOM 0 HA ASN A 143 -9.116 0.739 -12.896 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -9.433 2.926 -14.270 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.991 3.522 -13.473 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -7.597 0.338 -16.134 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -9.154 0.632 -15.352 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.735 1.414 -10.436 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.572 1.237 -9.522 1.00 0.02 C ATOM 2253 C TYR A 144 -5.628 2.445 -9.591 1.00 0.01 C ATOM 2254 O TYR A 144 -4.436 2.296 -9.777 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.816 -0.045 -9.918 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.803 -1.055 -10.467 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.896 -1.453 -9.687 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.631 -1.585 -11.753 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.816 -2.382 -10.192 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.550 -2.512 -12.258 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.643 -2.912 -11.477 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.548 -3.826 -11.975 1.00 0.01 O ATOM 0 H TYR A 144 -8.647 1.369 -9.981 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.936 1.155 -8.498 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -5.056 0.183 -10.666 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.298 -0.458 -9.053 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -8.030 -1.044 -8.696 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.789 -1.278 -12.355 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.659 -2.689 -9.590 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.417 -2.919 -13.249 1.00 0.01 H new ATOM 0 HH TYR A 144 -9.281 -4.091 -12.880 1.00 0.01 H new ATOM 2272 N ARG A 145 -6.154 3.638 -9.440 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.287 4.866 -9.493 1.00 0.01 C ATOM 2274 C ARG A 145 -5.475 5.690 -8.217 1.00 0.01 C ATOM 2275 O ARG A 145 -6.414 5.485 -7.473 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.691 5.719 -10.696 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.604 4.877 -11.972 1.00 0.02 C ATOM 2278 CD ARG A 145 -6.086 5.706 -13.164 1.00 0.01 C ATOM 2279 NE ARG A 145 -5.129 6.821 -13.413 1.00 0.01 N ATOM 2280 CZ ARG A 145 -5.167 7.473 -14.542 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -6.044 7.150 -15.452 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -4.328 8.449 -14.761 1.00 0.01 N ATOM 0 H ARG A 145 -7.146 3.817 -9.282 1.00 0.02 H new ATOM 0 HA ARG A 145 -4.244 4.563 -9.582 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.706 6.095 -10.564 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -5.037 6.587 -10.775 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -4.577 4.549 -12.135 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -6.213 3.979 -11.870 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -6.166 5.076 -14.050 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -7.081 6.104 -12.965 1.00 0.01 H new ATOM 0 HE ARG A 145 -4.444 7.074 -12.701 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -6.700 6.388 -15.281 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -6.074 7.660 -16.335 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -3.643 8.702 -14.049 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -4.358 8.959 -15.644 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.580 6.606 -7.939 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.700 7.433 -6.702 1.00 0.02 C ATOM 2298 C GLY A 146 -3.975 6.744 -5.543 1.00 0.01 C ATOM 2299 O GLY A 146 -3.197 5.829 -5.736 1.00 0.02 O ATOM 0 H GLY A 146 -3.768 6.816 -8.520 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.274 8.422 -6.872 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.751 7.577 -6.451 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.226 7.185 -4.341 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.557 6.572 -3.157 1.00 0.01 C ATOM 2305 C ARG A 147 -4.065 5.145 -2.982 1.00 0.01 C ATOM 2306 O ARG A 147 -5.223 4.842 -3.206 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.895 7.395 -1.912 1.00 0.01 C ATOM 2308 CG ARG A 147 -2.983 6.975 -0.760 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.410 7.696 0.520 1.00 0.01 C ATOM 2310 NE ARG A 147 -3.037 9.135 0.430 1.00 0.02 N ATOM 2311 CZ ARG A 147 -3.566 9.997 1.253 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -4.420 9.598 2.154 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -3.239 11.258 1.175 1.00 0.02 N ATOM 0 H ARG A 147 -4.869 7.947 -4.126 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.477 6.558 -3.302 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.769 8.458 -2.120 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -4.939 7.245 -1.637 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.035 5.896 -0.616 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -1.947 7.216 -0.997 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -4.486 7.597 0.664 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -2.929 7.239 1.385 1.00 0.01 H new ATOM 0 HE ARG A 147 -2.368 9.446 -0.275 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -4.674 8.612 2.215 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -4.834 10.272 2.798 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -2.570 11.569 0.471 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -3.652 11.933 1.818 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.173 4.255 -2.612 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.527 2.812 -2.446 1.00 0.01 C ATOM 2329 C GLN A 148 -3.303 2.400 -0.984 1.00 0.01 C ATOM 2330 O GLN A 148 -2.424 2.907 -0.316 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.590 1.992 -3.357 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.219 2.817 -4.593 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.552 1.913 -5.630 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -0.799 1.026 -5.282 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -1.796 2.101 -6.898 1.00 0.01 N ATOM 0 H GLN A 148 -2.197 4.475 -2.415 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.570 2.638 -2.710 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.689 1.712 -2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -3.080 1.066 -3.659 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -3.111 3.277 -5.017 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -1.545 3.627 -4.314 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -2.428 2.846 -7.191 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -1.354 1.503 -7.596 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.088 1.476 -0.495 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.937 0.996 0.920 1.00 0.01 C ATOM 2346 C TYR A 149 -3.879 -0.541 0.925 1.00 0.01 C ATOM 2347 O TYR A 149 -4.561 -1.186 0.153 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.141 1.478 1.747 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.719 1.756 3.179 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.350 0.697 4.018 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.699 3.071 3.665 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -3.963 0.952 5.341 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.312 3.325 4.986 1.00 0.01 C ATOM 2354 CZ TYR A 149 -3.944 2.265 5.824 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.565 2.515 7.128 1.00 0.01 O ATOM 0 H TYR A 149 -4.838 1.025 -1.019 1.00 0.01 H new ATOM 0 HA TYR A 149 -3.020 1.393 1.355 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.559 2.381 1.302 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.927 0.723 1.732 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.364 -0.317 3.645 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -4.983 3.889 3.019 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.679 0.135 5.988 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.297 4.338 5.359 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.151 3.402 7.184 1.00 0.01 H new ATOM 2365 N LEU A 150 -3.078 -1.128 1.778 1.00 0.01 N ATOM 2366 CA LEU A 150 -2.983 -2.625 1.818 1.00 0.01 C ATOM 2367 C LEU A 150 -3.884 -3.165 2.935 1.00 0.01 C ATOM 2368 O LEU A 150 -3.737 -2.819 4.091 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.525 -3.008 2.076 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.322 -4.509 1.803 1.00 0.01 C ATOM 2371 CD1 LEU A 150 0.174 -4.821 1.782 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -2.018 -5.362 2.890 1.00 0.01 C ATOM 0 H LEU A 150 -2.485 -0.639 2.449 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.312 -3.054 0.872 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.867 -2.421 1.436 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.256 -2.777 3.107 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.765 -4.754 0.837 1.00 0.01 H new ATOM 0 HD11 LEU A 150 0.321 -5.884 1.589 1.00 0.01 H new ATOM 0 HD12 LEU A 150 0.656 -4.239 0.996 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.613 -4.563 2.746 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -1.862 -6.420 2.678 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -1.597 -5.122 3.866 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -3.086 -5.146 2.893 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.822 -4.017 2.588 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.753 -4.598 3.603 1.00 0.01 C ATOM 2386 C LEU A 151 -5.374 -6.051 3.902 1.00 0.01 C ATOM 2387 O LEU A 151 -5.170 -6.847 3.006 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.181 -4.562 3.051 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.473 -3.181 2.457 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -8.952 -3.100 2.068 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.144 -2.093 3.492 1.00 0.01 C ATOM 0 H LEU A 151 -4.981 -4.336 1.633 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.685 -4.014 4.521 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.305 -5.330 2.287 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.893 -4.784 3.845 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.857 -3.026 1.571 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -9.164 -2.118 1.645 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -9.177 -3.870 1.330 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.570 -3.255 2.953 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.353 -1.111 3.067 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.756 -2.240 4.382 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.090 -2.155 3.762 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.316 -6.409 5.159 1.00 0.01 N ATOM 2404 CA ASP A 152 -4.987 -7.820 5.542 1.00 0.01 C ATOM 2405 C ASP A 152 -6.264 -8.486 6.062 1.00 0.00 C ATOM 2406 O ASP A 152 -7.278 -7.839 6.222 1.00 0.01 O ATOM 2407 CB ASP A 152 -3.930 -7.813 6.649 1.00 1.04 C ATOM 2408 CG ASP A 152 -4.347 -6.832 7.746 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -4.451 -5.652 7.451 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -4.557 -7.277 8.863 1.00 1.57 O ATOM 0 H ASP A 152 -5.484 -5.781 5.945 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.600 -8.365 4.681 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -3.817 -8.814 7.065 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -2.961 -7.527 6.240 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.234 -9.766 6.326 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.466 -10.438 6.837 1.00 0.01 C ATOM 2417 C LYS A 153 -7.903 -9.741 8.131 1.00 0.01 C ATOM 2418 O LYS A 153 -7.558 -10.161 9.216 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.175 -11.920 7.116 1.00 0.38 C ATOM 2420 CG LYS A 153 -5.779 -12.071 7.732 1.00 0.71 C ATOM 2421 CD LYS A 153 -5.570 -13.519 8.201 1.00 0.72 C ATOM 2422 CE LYS A 153 -6.513 -13.853 9.371 1.00 1.09 C ATOM 2423 NZ LYS A 153 -5.870 -14.879 10.241 1.00 1.84 N ATOM 0 H LYS A 153 -5.420 -10.370 6.212 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.260 -10.372 6.093 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -7.927 -12.326 7.793 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.237 -12.492 6.190 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -5.018 -11.803 7.000 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -5.667 -11.387 8.573 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -5.752 -14.205 7.373 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -4.534 -13.661 8.510 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -6.729 -12.954 9.948 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -7.465 -14.225 8.992 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -6.503 -15.108 11.033 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -5.685 -15.739 9.686 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -4.972 -14.507 10.612 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.637 -8.657 8.020 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.072 -7.902 9.245 1.00 0.01 C ATOM 2439 C LYS A 154 -10.549 -7.489 9.144 1.00 0.01 C ATOM 2440 O LYS A 154 -11.161 -7.547 8.090 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.186 -6.646 9.385 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.006 -6.266 10.869 1.00 0.48 C ATOM 2443 CD LYS A 154 -6.853 -7.069 11.485 1.00 0.97 C ATOM 2444 CE LYS A 154 -6.632 -6.615 12.929 1.00 1.44 C ATOM 2445 NZ LYS A 154 -7.753 -7.104 13.779 1.00 2.28 N ATOM 0 H LYS A 154 -8.954 -8.261 7.135 1.00 0.00 H new ATOM 0 HA LYS A 154 -8.964 -8.544 10.119 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -7.212 -6.830 8.931 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.638 -5.814 8.844 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -7.803 -5.199 10.957 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.928 -6.461 11.416 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -7.082 -8.134 11.458 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -5.943 -6.924 10.903 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -5.683 -7.001 13.302 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -6.574 -5.528 12.975 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -7.516 -6.961 14.782 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -8.619 -6.576 13.549 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -7.907 -8.117 13.601 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.106 -7.036 10.244 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.526 -6.565 10.265 1.00 0.01 C ATOM 2461 C GLU A 155 -12.527 -5.046 10.473 1.00 0.01 C ATOM 2462 O GLU A 155 -12.195 -4.563 11.537 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.269 -7.238 11.423 1.00 0.01 C ATOM 2464 CG GLU A 155 -12.980 -8.743 11.421 1.00 0.01 C ATOM 2465 CD GLU A 155 -11.584 -9.001 11.992 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -11.343 -8.601 13.119 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -10.778 -9.594 11.293 1.00 0.01 O ATOM 0 H GLU A 155 -10.627 -6.973 11.142 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.021 -6.818 9.327 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -12.957 -6.800 12.371 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -14.341 -7.064 11.329 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -13.729 -9.268 12.014 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -13.046 -9.134 10.406 1.00 0.01 H new ATOM 2474 N TYR A 156 -12.886 -4.285 9.466 1.00 0.00 N ATOM 2475 CA TYR A 156 -12.892 -2.793 9.606 1.00 0.01 C ATOM 2476 C TYR A 156 -14.318 -2.299 9.853 1.00 0.01 C ATOM 2477 O TYR A 156 -15.189 -2.469 9.023 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.342 -2.169 8.321 1.00 0.01 C ATOM 2479 CG TYR A 156 -10.925 -2.641 8.096 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -9.864 -2.021 8.767 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.673 -3.697 7.212 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.551 -2.458 8.555 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.360 -4.134 7.000 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.299 -3.515 7.671 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.004 -3.946 7.461 1.00 0.01 O ATOM 0 H TYR A 156 -13.176 -4.633 8.552 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.268 -2.503 10.451 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -12.968 -2.447 7.473 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.367 -1.082 8.393 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.058 -1.206 9.448 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.491 -4.174 6.694 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -7.733 -1.980 9.073 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.166 -4.949 6.319 1.00 0.01 H new ATOM 0 HH TYR A 156 -7.006 -4.687 6.820 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.582 -1.724 10.999 1.00 0.01 N ATOM 2496 CA ARG A 157 -15.971 -1.267 11.305 1.00 0.01 C ATOM 2497 C ARG A 157 -16.167 0.208 10.939 1.00 0.00 C ATOM 2498 O ARG A 157 -17.274 0.632 10.670 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.231 -1.447 12.803 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.114 -0.769 13.600 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.447 -0.821 15.091 1.00 0.00 C ATOM 2502 NE ARG A 157 -14.402 -0.083 15.856 1.00 0.01 N ATOM 2503 CZ ARG A 157 -14.616 0.256 17.098 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -15.748 -0.050 17.672 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -13.698 0.901 17.764 1.00 0.01 N ATOM 0 H ARG A 157 -13.897 -1.552 11.735 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.668 -1.862 10.715 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.196 -1.016 13.070 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.276 -2.508 13.050 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.164 -1.268 13.411 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -15.000 0.266 13.278 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -16.427 -0.379 15.272 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -15.497 -1.856 15.428 1.00 0.00 H new ATOM 0 HE ARG A 157 -13.518 0.158 15.408 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -16.465 -0.554 17.150 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -15.916 0.215 18.643 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -12.814 1.140 17.314 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -13.864 1.167 18.735 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.117 0.998 10.918 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.256 2.450 10.559 1.00 0.01 C ATOM 2521 C LYS A 158 -14.287 2.777 9.408 1.00 0.01 C ATOM 2522 O LYS A 158 -13.263 2.140 9.276 1.00 0.01 O ATOM 2523 CB LYS A 158 -14.893 3.295 11.792 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.094 3.368 12.740 1.00 0.97 C ATOM 2525 CD LYS A 158 -15.638 3.894 14.101 1.00 1.44 C ATOM 2526 CE LYS A 158 -16.860 4.276 14.939 1.00 2.13 C ATOM 2527 NZ LYS A 158 -17.470 5.521 14.392 1.00 2.54 N ATOM 0 H LYS A 158 -14.166 0.699 11.135 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.277 2.668 10.247 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.038 2.857 12.306 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.599 4.298 11.484 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -16.860 4.022 12.324 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.543 2.381 12.852 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -15.053 3.134 14.618 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -14.990 4.760 13.969 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -17.589 3.466 14.928 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -16.568 4.428 15.978 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -18.022 5.993 15.136 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -16.719 6.159 14.061 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -18.095 5.281 13.596 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.568 3.777 8.597 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.630 4.141 7.493 1.00 0.02 C ATOM 2543 C PRO A 159 -12.263 4.553 8.058 1.00 0.01 C ATOM 2544 O PRO A 159 -11.231 4.177 7.534 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.358 5.317 6.813 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.522 5.749 7.725 1.00 0.70 C ATOM 2547 CD PRO A 159 -15.804 4.603 8.709 1.00 0.28 C ATOM 0 HA PRO A 159 -13.412 3.325 6.803 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.671 6.148 6.652 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.732 5.018 5.834 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.265 6.660 8.265 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.410 5.969 7.132 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -15.959 4.968 9.724 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.696 4.040 8.433 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.232 5.323 9.109 1.00 0.01 N ATOM 2556 CA VAL A 160 -10.919 5.734 9.676 1.00 0.02 C ATOM 2557 C VAL A 160 -10.162 4.476 10.104 1.00 0.02 C ATOM 2558 O VAL A 160 -8.956 4.484 10.241 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.149 6.638 10.889 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -9.802 7.009 11.513 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -11.874 7.911 10.447 1.00 0.74 C ATOM 0 H VAL A 160 -13.052 5.683 9.597 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.340 6.281 8.932 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.757 6.110 11.624 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -9.966 7.653 12.377 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.285 6.103 11.829 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.193 7.536 10.778 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.038 8.555 11.311 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.267 8.439 9.711 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -12.834 7.648 10.004 1.00 0.74 H new ATOM 2571 N ASP A 161 -10.853 3.389 10.307 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.146 2.145 10.710 1.00 0.01 C ATOM 2573 C ASP A 161 -9.235 1.684 9.568 1.00 0.01 C ATOM 2574 O ASP A 161 -8.340 0.883 9.758 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.167 1.048 11.021 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.480 -0.090 11.777 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.262 -0.074 11.853 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.183 -0.959 12.266 1.00 0.00 O ATOM 0 H ASP A 161 -11.865 3.309 10.212 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.547 2.343 11.599 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -11.983 1.455 11.618 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.605 0.672 10.097 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.445 2.207 8.383 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.580 1.824 7.223 1.00 0.01 C ATOM 2585 C TRP A 162 -7.466 2.873 7.097 1.00 0.01 C ATOM 2586 O TRP A 162 -6.729 2.879 6.132 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.416 1.856 5.909 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.761 0.491 5.370 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -9.016 -0.645 5.459 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -10.942 0.136 4.594 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.684 -1.667 4.803 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.873 -1.234 4.256 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -12.062 0.869 4.164 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.879 -1.854 3.513 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -13.075 0.249 3.417 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -12.984 -1.108 3.091 1.00 0.01 C ATOM 0 H TRP A 162 -10.179 2.883 8.170 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.175 0.824 7.380 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.338 2.408 6.090 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -8.860 2.406 5.150 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.062 -0.735 5.958 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.338 -2.624 4.733 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -12.143 1.917 4.411 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -11.804 -2.903 3.266 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -13.930 0.823 3.092 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.766 -1.579 2.514 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.320 3.746 8.048 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.238 4.760 7.942 1.00 0.01 C ATOM 2609 C GLY A 163 -6.649 5.847 6.948 1.00 0.01 C ATOM 2610 O GLY A 163 -5.845 6.655 6.525 1.00 0.01 O ATOM 0 H GLY A 163 -7.896 3.803 8.888 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.043 5.202 8.919 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.312 4.286 7.616 1.00 0.01 H new ATOM 2614 N ALA A 164 -7.897 5.851 6.546 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.373 6.858 5.547 1.00 0.02 C ATOM 2616 C ALA A 164 -9.103 7.998 6.254 1.00 0.01 C ATOM 2617 O ALA A 164 -9.826 7.798 7.210 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.360 6.175 4.601 1.00 0.01 C ATOM 0 H ALA A 164 -8.610 5.197 6.869 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.516 7.255 5.003 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.717 6.896 3.866 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -8.863 5.351 4.090 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.205 5.791 5.172 1.00 0.01 H new ATOM 2624 N ALA A 165 -8.916 9.195 5.775 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.589 10.370 6.389 1.00 0.01 C ATOM 2626 C ALA A 165 -11.001 10.519 5.817 1.00 0.02 C ATOM 2627 O ALA A 165 -11.787 11.309 6.303 1.00 0.01 O ATOM 2628 CB ALA A 165 -8.790 11.639 6.084 1.00 0.59 C ATOM 0 H ALA A 165 -8.319 9.411 4.976 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.646 10.221 7.467 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.286 12.498 6.535 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -7.785 11.543 6.494 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.730 11.780 5.005 1.00 0.59 H new ATOM 2634 N SER A 166 -11.349 9.760 4.803 1.00 0.01 N ATOM 2635 CA SER A 166 -12.725 9.851 4.219 1.00 0.01 C ATOM 2636 C SER A 166 -13.169 8.440 3.773 1.00 0.02 C ATOM 2637 O SER A 166 -12.340 7.631 3.409 1.00 0.01 O ATOM 2638 CB SER A 166 -12.698 10.783 3.007 1.00 0.72 C ATOM 2639 OG SER A 166 -12.227 10.064 1.874 1.00 0.87 O ATOM 0 H SER A 166 -10.736 9.079 4.354 1.00 0.01 H new ATOM 0 HA SER A 166 -13.421 10.242 4.961 1.00 0.01 H new ATOM 0 HB2 SER A 166 -13.696 11.177 2.814 1.00 0.72 H new ATOM 0 HB3 SER A 166 -12.051 11.638 3.205 1.00 0.72 H new ATOM 0 HG SER A 166 -12.210 10.657 1.094 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.456 8.130 3.778 1.00 0.02 N ATOM 2646 CA PRO A 167 -14.919 6.775 3.336 1.00 0.01 C ATOM 2647 C PRO A 167 -14.894 6.618 1.807 1.00 0.01 C ATOM 2648 O PRO A 167 -15.605 5.799 1.249 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.366 6.762 3.854 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.803 8.224 4.011 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.534 9.068 4.220 1.00 0.22 C ATOM 0 HA PRO A 167 -14.290 5.965 3.706 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.020 6.237 3.157 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.429 6.237 4.807 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.344 8.559 3.126 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.479 8.333 4.859 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.549 9.981 3.624 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.411 9.368 5.261 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.119 7.418 1.124 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.102 7.329 -0.364 1.00 0.01 C ATOM 2661 C ALA A 168 -13.173 6.211 -0.855 1.00 0.01 C ATOM 2662 O ALA A 168 -11.998 6.160 -0.554 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.621 8.661 -0.942 1.00 0.18 C ATOM 0 H ALA A 168 -13.502 8.123 1.528 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.115 7.104 -0.699 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.607 8.601 -2.030 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.297 9.458 -0.631 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.616 8.874 -0.577 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.739 5.325 -1.628 1.00 0.01 N ATOM 2670 CA ILE A 169 -12.984 4.175 -2.205 1.00 0.01 C ATOM 2671 C ILE A 169 -13.596 3.883 -3.572 1.00 0.01 C ATOM 2672 O ILE A 169 -14.798 3.743 -3.687 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.150 2.962 -1.280 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -12.699 3.350 0.136 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.318 1.774 -1.793 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -12.625 2.104 1.021 1.00 3.99 C ATOM 0 H ILE A 169 -14.724 5.352 -1.892 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.921 4.396 -2.303 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.197 2.661 -1.264 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -11.724 3.836 0.096 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.397 4.070 0.564 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.448 0.923 -1.124 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.651 1.503 -2.795 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.265 2.054 -1.824 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -12.304 2.388 2.023 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -13.608 1.636 1.073 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -11.910 1.399 0.598 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.799 3.831 -4.623 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.361 3.595 -5.992 1.00 0.01 C ATOM 2690 C GLN A 170 -12.931 2.247 -6.589 1.00 0.02 C ATOM 2691 O GLN A 170 -13.570 1.773 -7.509 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.901 4.720 -6.923 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.375 6.065 -6.368 1.00 3.39 C ATOM 2694 CD GLN A 170 -14.883 6.201 -6.579 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -15.453 5.527 -7.412 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.556 7.050 -5.852 1.00 5.17 N ATOM 0 H GLN A 170 -11.786 3.942 -4.587 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.447 3.578 -5.897 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.815 4.713 -7.011 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -13.303 4.565 -7.924 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.138 6.136 -5.307 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -12.852 6.881 -6.867 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -15.075 7.616 -5.152 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.563 7.148 -5.983 1.00 5.17 H new ATOM 2705 N SER A 171 -11.887 1.593 -6.131 1.00 0.01 N ATOM 2706 CA SER A 171 -11.535 0.286 -6.783 1.00 0.01 C ATOM 2707 C SER A 171 -10.711 -0.584 -5.825 1.00 0.01 C ATOM 2708 O SER A 171 -10.101 -0.095 -4.897 1.00 0.01 O ATOM 2709 CB SER A 171 -10.715 0.567 -8.045 1.00 0.01 C ATOM 2710 OG SER A 171 -10.457 -0.654 -8.721 1.00 0.02 O ATOM 0 H SER A 171 -11.284 1.891 -5.365 1.00 0.01 H new ATOM 0 HA SER A 171 -12.451 -0.246 -7.039 1.00 0.01 H new ATOM 0 HB2 SER A 171 -11.257 1.250 -8.699 1.00 0.01 H new ATOM 0 HB3 SER A 171 -9.777 1.055 -7.781 1.00 0.01 H new ATOM 0 HG SER A 171 -9.590 -0.600 -9.175 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.665 -1.879 -6.061 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.848 -2.767 -5.173 1.00 0.01 C ATOM 2718 C PHE A 172 -9.381 -4.012 -5.934 1.00 0.01 C ATOM 2719 O PHE A 172 -9.994 -4.431 -6.897 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.637 -3.168 -3.917 1.00 1.06 C ATOM 2721 CG PHE A 172 -12.006 -3.717 -4.263 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -12.133 -4.989 -4.836 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.153 -2.964 -3.978 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.402 -5.503 -5.128 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.422 -3.480 -4.265 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.546 -4.749 -4.842 1.00 1.92 C ATOM 0 H PHE A 172 -11.153 -2.352 -6.822 1.00 0.01 H new ATOM 0 HA PHE A 172 -8.969 -2.206 -4.856 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -10.075 -3.917 -3.359 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.747 -2.301 -3.265 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.251 -5.574 -5.053 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -13.058 -1.983 -3.536 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.498 -6.482 -5.574 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.305 -2.899 -4.041 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.525 -5.147 -5.067 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.282 -4.600 -5.515 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.751 -5.811 -6.221 1.00 0.01 C ATOM 2738 C ARG A 173 -7.121 -6.785 -5.220 1.00 0.01 C ATOM 2739 O ARG A 173 -6.615 -6.400 -4.185 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.656 -5.393 -7.209 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.195 -4.381 -8.223 1.00 0.01 C ATOM 2742 CD ARG A 173 -6.091 -4.037 -9.232 1.00 0.01 C ATOM 2743 NE ARG A 173 -5.167 -3.033 -8.633 1.00 0.01 N ATOM 2744 CZ ARG A 173 -4.004 -2.810 -9.180 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -3.646 -3.467 -10.250 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -3.193 -1.930 -8.655 1.00 0.01 N ATOM 0 H ARG A 173 -7.731 -4.292 -4.714 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.582 -6.290 -6.738 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.817 -4.958 -6.666 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -6.277 -6.271 -7.732 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -8.061 -4.794 -8.741 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -7.530 -3.479 -7.711 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -5.540 -4.937 -9.505 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -6.531 -3.642 -10.148 1.00 0.01 H new ATOM 0 HE ARG A 173 -5.444 -2.520 -7.796 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -4.276 -4.156 -10.660 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -2.736 -3.291 -10.676 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -3.469 -1.418 -7.818 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -2.284 -1.756 -9.083 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.139 -8.051 -5.543 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.532 -9.075 -4.644 1.00 0.01 C ATOM 2762 C ARG A 174 -5.042 -9.225 -4.981 1.00 0.01 C ATOM 2763 O ARG A 174 -4.652 -9.177 -6.129 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.233 -10.420 -4.855 1.00 0.01 C ATOM 2765 CG ARG A 174 -7.409 -10.676 -6.353 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.793 -12.140 -6.577 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.965 -12.393 -8.036 1.00 0.01 N ATOM 2768 CZ ARG A 174 -7.996 -13.617 -8.487 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -7.871 -14.618 -7.660 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -8.150 -13.839 -9.763 1.00 0.01 N ATOM 0 H ARG A 174 -7.552 -8.422 -6.399 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.647 -8.762 -3.606 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.647 -11.222 -4.405 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.204 -10.418 -4.359 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -8.180 -10.020 -6.757 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -6.485 -10.446 -6.883 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -7.022 -12.795 -6.172 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -8.717 -12.370 -6.046 1.00 0.01 H new ATOM 0 HE ARG A 174 -8.058 -11.609 -8.682 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -7.749 -14.443 -6.662 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -7.895 -15.575 -8.011 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -8.246 -13.056 -10.409 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -8.174 -14.796 -10.115 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.206 -9.427 -3.992 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.745 -9.603 -4.279 1.00 0.01 C ATOM 2786 C ILE A 175 -2.439 -11.095 -4.421 1.00 0.00 C ATOM 2787 O ILE A 175 -2.782 -11.887 -3.565 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.885 -9.036 -3.143 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.364 -7.628 -2.768 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.427 -8.967 -3.610 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.399 -7.019 -1.739 1.00 3.04 C ATOM 0 H ILE A 175 -4.467 -9.478 -3.007 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.511 -9.068 -5.199 1.00 0.01 H new ATOM 0 HB ILE A 175 -1.970 -9.683 -2.270 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.410 -6.999 -3.657 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.372 -7.672 -2.356 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.193 -8.565 -2.809 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -0.080 -9.967 -3.870 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.355 -8.320 -4.484 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.737 -6.018 -1.471 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.375 -7.645 -0.847 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.399 -6.961 -2.168 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.797 -11.489 -5.492 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.466 -12.936 -5.694 1.00 0.00 C ATOM 2805 C VAL A 176 -0.026 -13.069 -6.194 1.00 0.01 C ATOM 2806 O VAL A 176 0.469 -12.229 -6.920 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.407 -13.536 -6.740 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.105 -15.026 -6.906 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -3.855 -13.358 -6.283 1.00 1.89 C ATOM 0 H VAL A 176 -1.486 -10.869 -6.240 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.580 -13.463 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.260 -13.028 -7.693 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.776 -15.452 -7.652 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -1.073 -15.154 -7.232 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -2.251 -15.535 -5.953 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -4.527 -13.785 -7.028 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -4.001 -13.865 -5.329 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -4.072 -12.296 -6.166 1.00 1.89 H new ATOM 2819 N GLU A 177 0.649 -14.118 -5.812 1.00 0.01 N ATOM 2820 CA GLU A 177 2.056 -14.314 -6.262 1.00 0.01 C ATOM 2821 C GLU A 177 2.132 -14.152 -7.780 1.00 0.01 C ATOM 2822 CB GLU A 177 2.525 -15.718 -5.873 1.00 2.15 C ATOM 2823 CG GLU A 177 4.005 -15.881 -6.229 1.00 3.19 C ATOM 2824 CD GLU A 177 4.495 -17.255 -5.764 1.00 4.20 C ATOM 2825 OE1 GLU A 177 3.748 -17.925 -5.070 1.00 4.77 O ATOM 2826 OE2 GLU A 177 5.607 -17.613 -6.109 1.00 4.89 O ATOM 0 H GLU A 177 0.284 -14.852 -5.204 1.00 0.01 H new ATOM 0 HA GLU A 177 2.697 -13.573 -5.785 1.00 0.01 H new ATOM 0 HB2 GLU A 177 2.377 -15.879 -4.805 1.00 2.15 H new ATOM 0 HB3 GLU A 177 1.930 -16.469 -6.394 1.00 2.15 H new ATOM 0 HG2 GLU A 177 4.144 -15.779 -7.305 1.00 3.19 H new ATOM 0 HG3 GLU A 177 4.592 -15.094 -5.755 1.00 3.19 H new TER 2833 GLU A 177