USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 926 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 56 THR OG1 : rot 164:sc= -1.02 USER MOD Set 1.2: A 59 GLN :FLIP amide:sc= -1.01 F(o=-2.8,f=-2) USER MOD Single : A 3 ASN : amide:sc= -0.306 X(o=-0.31,f=0.0014) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.176 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 129:sc= 0.755 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.027 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.0182 K(o=0.018,f=-0.72) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -4.39 X(o=-4.4,f=-4.2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -83:sc= 1.25 USER MOD Single : A 65 CYS SG : rot 180:sc= -1.01 USER MOD Single : A 68 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.3!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 170:sc= 0.207 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 71:sc= 0.549 USER MOD Single : A 88 LYS NZ :NH3+ 136:sc= -1.52 (180deg=-4.67!) USER MOD Single : A 97 ASN : amide:sc= -0.0819 X(o=-0.082,f=-0.035) USER MOD Single : A 98 MET CE :methyl 158:sc= -0.0796 (180deg=-0.476) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 108 ASN : amide:sc= -0.0875 X(o=-0.087,f=-0.0053) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.0403 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc=-0.00169 X(o=-0.0017,f=-0.0017) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 113:sc= -0.565 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 7.298 1.820 1.936 1.00 13.00 N ATOM 2 CA GLY A 2 5.923 2.159 2.249 1.00 45.03 C ATOM 3 C GLY A 2 5.148 2.623 1.031 1.00 2.42 C ATOM 4 O GLY A 2 3.921 2.545 1.002 1.00 61.15 O ATOM 0 HA2 GLY A 2 5.427 1.290 2.682 1.00 45.03 H new ATOM 0 HA3 GLY A 2 5.909 2.944 3.005 1.00 45.03 H new ATOM 8 N ASN A 3 5.866 3.109 0.024 1.00 24.22 N ATOM 9 CA ASN A 3 5.238 3.589 -1.201 1.00 3.24 C ATOM 10 C ASN A 3 6.125 3.313 -2.411 1.00 11.22 C ATOM 11 O ASN A 3 7.284 2.922 -2.269 1.00 13.55 O ATOM 12 CB ASN A 3 4.949 5.088 -1.097 1.00 12.13 C ATOM 13 CG ASN A 3 3.558 5.444 -1.585 1.00 22.11 C ATOM 14 OD1 ASN A 3 2.604 5.471 -0.807 1.00 23.41 O ATOM 15 ND2 ASN A 3 3.438 5.719 -2.878 1.00 72.54 N ATOM 0 H ASN A 3 6.883 3.181 0.032 1.00 24.22 H new ATOM 0 HA ASN A 3 4.298 3.053 -1.332 1.00 3.24 H new ATOM 0 HB2 ASN A 3 5.060 5.405 -0.060 1.00 12.13 H new ATOM 0 HB3 ASN A 3 5.687 5.639 -1.679 1.00 12.13 H new ATOM 0 HD21 ASN A 3 2.527 5.965 -3.265 1.00 72.54 H new ATOM 0 HD22 ASN A 3 4.257 5.684 -3.485 1.00 72.54 H new ATOM 22 N LEU A 4 5.574 3.520 -3.602 1.00 43.13 N ATOM 23 CA LEU A 4 6.314 3.295 -4.838 1.00 22.12 C ATOM 24 C LEU A 4 6.700 1.826 -4.982 1.00 41.11 C ATOM 25 O LEU A 4 7.803 1.503 -5.421 1.00 52.32 O ATOM 26 CB LEU A 4 7.569 4.169 -4.871 1.00 64.42 C ATOM 27 CG LEU A 4 7.916 4.795 -6.223 1.00 3.34 C ATOM 28 CD1 LEU A 4 8.233 3.714 -7.245 1.00 21.12 C ATOM 29 CD2 LEU A 4 6.775 5.675 -6.712 1.00 5.14 C ATOM 0 H LEU A 4 4.616 3.844 -3.738 1.00 43.13 H new ATOM 0 HA LEU A 4 5.668 3.566 -5.673 1.00 22.12 H new ATOM 0 HB2 LEU A 4 7.448 4.971 -4.142 1.00 64.42 H new ATOM 0 HB3 LEU A 4 8.416 3.566 -4.544 1.00 64.42 H new ATOM 0 HG LEU A 4 8.801 5.419 -6.097 1.00 3.34 H new ATOM 0 HD11 LEU A 4 8.478 4.177 -8.201 1.00 21.12 H new ATOM 0 HD12 LEU A 4 9.082 3.125 -6.900 1.00 21.12 H new ATOM 0 HD13 LEU A 4 7.367 3.064 -7.368 1.00 21.12 H new ATOM 0 HD21 LEU A 4 7.039 6.112 -7.675 1.00 5.14 H new ATOM 0 HD22 LEU A 4 5.873 5.073 -6.822 1.00 5.14 H new ATOM 0 HD23 LEU A 4 6.594 6.471 -5.990 1.00 5.14 H new ATOM 41 N LYS A 5 5.783 0.940 -4.608 1.00 53.43 N ATOM 42 CA LYS A 5 6.024 -0.495 -4.698 1.00 13.11 C ATOM 43 C LYS A 5 6.500 -0.881 -6.096 1.00 70.51 C ATOM 44 O LYS A 5 5.753 -0.772 -7.068 1.00 55.31 O ATOM 45 CB LYS A 5 4.752 -1.270 -4.350 1.00 15.10 C ATOM 46 CG LYS A 5 5.011 -2.704 -3.919 1.00 61.11 C ATOM 47 CD LYS A 5 4.819 -2.878 -2.421 1.00 14.34 C ATOM 48 CE LYS A 5 4.941 -4.338 -2.011 1.00 10.31 C ATOM 49 NZ LYS A 5 3.608 -4.970 -1.808 1.00 63.31 N ATOM 0 H LYS A 5 4.866 1.191 -4.239 1.00 53.43 H new ATOM 0 HA LYS A 5 6.806 -0.751 -3.983 1.00 13.11 H new ATOM 0 HB2 LYS A 5 4.226 -0.748 -3.550 1.00 15.10 H new ATOM 0 HB3 LYS A 5 4.091 -1.274 -5.216 1.00 15.10 H new ATOM 0 HG2 LYS A 5 4.337 -3.373 -4.454 1.00 61.11 H new ATOM 0 HG3 LYS A 5 6.027 -2.990 -4.192 1.00 61.11 H new ATOM 0 HD2 LYS A 5 5.561 -2.285 -1.886 1.00 14.34 H new ATOM 0 HD3 LYS A 5 3.839 -2.498 -2.132 1.00 14.34 H new ATOM 0 HE2 LYS A 5 5.490 -4.886 -2.777 1.00 10.31 H new ATOM 0 HE3 LYS A 5 5.521 -4.410 -1.091 1.00 10.31 H new ATOM 0 HZ1 LYS A 5 3.734 -5.964 -1.530 1.00 63.31 H new ATOM 0 HZ2 LYS A 5 3.094 -4.463 -1.059 1.00 63.31 H new ATOM 0 HZ3 LYS A 5 3.064 -4.925 -2.693 1.00 63.31 H new ATOM 63 N SER A 6 7.747 -1.333 -6.188 1.00 71.11 N ATOM 64 CA SER A 6 8.323 -1.733 -7.467 1.00 61.41 C ATOM 65 C SER A 6 7.495 -2.839 -8.114 1.00 64.34 C ATOM 66 O SER A 6 7.541 -3.033 -9.328 1.00 1.42 O ATOM 67 CB SER A 6 9.765 -2.205 -7.276 1.00 65.51 C ATOM 68 OG SER A 6 10.235 -1.895 -5.974 1.00 53.34 O ATOM 0 H SER A 6 8.378 -1.431 -5.392 1.00 71.11 H new ATOM 0 HA SER A 6 8.317 -0.865 -8.127 1.00 61.41 H new ATOM 0 HB2 SER A 6 9.824 -3.281 -7.441 1.00 65.51 H new ATOM 0 HB3 SER A 6 10.407 -1.733 -8.020 1.00 65.51 H new ATOM 0 HG SER A 6 11.158 -2.208 -5.876 1.00 53.34 H new ATOM 74 N ARG A 7 6.737 -3.559 -7.292 1.00 73.00 N ATOM 75 CA ARG A 7 5.900 -4.646 -7.783 1.00 53.33 C ATOM 76 C ARG A 7 4.713 -4.104 -8.576 1.00 32.22 C ATOM 77 O ARG A 7 4.586 -4.358 -9.773 1.00 52.44 O ATOM 78 CB ARG A 7 5.399 -5.500 -6.617 1.00 30.53 C ATOM 79 CG ARG A 7 4.602 -6.718 -7.051 1.00 23.01 C ATOM 80 CD ARG A 7 5.122 -7.988 -6.394 1.00 32.51 C ATOM 81 NE ARG A 7 4.096 -9.024 -6.319 1.00 4.52 N ATOM 82 CZ ARG A 7 4.356 -10.296 -6.034 1.00 70.41 C ATOM 83 NH1 ARG A 7 5.602 -10.685 -5.798 1.00 40.14 N ATOM 84 NH2 ARG A 7 3.369 -11.181 -5.983 1.00 64.12 N ATOM 0 H ARG A 7 6.686 -3.409 -6.284 1.00 73.00 H new ATOM 0 HA ARG A 7 6.505 -5.265 -8.445 1.00 53.33 H new ATOM 0 HB2 ARG A 7 6.253 -5.828 -6.025 1.00 30.53 H new ATOM 0 HB3 ARG A 7 4.778 -4.883 -5.967 1.00 30.53 H new ATOM 0 HG2 ARG A 7 3.552 -6.578 -6.794 1.00 23.01 H new ATOM 0 HG3 ARG A 7 4.654 -6.821 -8.135 1.00 23.01 H new ATOM 0 HD2 ARG A 7 5.976 -8.364 -6.957 1.00 32.51 H new ATOM 0 HD3 ARG A 7 5.478 -7.757 -5.390 1.00 32.51 H new ATOM 0 HE ARG A 7 3.127 -8.757 -6.495 1.00 4.52 H new ATOM 0 HH11 ARG A 7 6.363 -10.007 -5.835 1.00 40.14 H new ATOM 0 HH12 ARG A 7 5.799 -11.662 -5.580 1.00 40.14 H new ATOM 0 HH21 ARG A 7 2.409 -10.886 -6.163 1.00 64.12 H new ATOM 0 HH22 ARG A 7 3.570 -12.157 -5.764 1.00 64.12 H new ATOM 98 N ASP A 8 3.849 -3.356 -7.898 1.00 14.30 N ATOM 99 CA ASP A 8 2.673 -2.777 -8.539 1.00 5.23 C ATOM 100 C ASP A 8 3.076 -1.699 -9.540 1.00 42.32 C ATOM 101 O ASP A 8 2.332 -1.396 -10.473 1.00 22.32 O ATOM 102 CB ASP A 8 1.731 -2.189 -7.487 1.00 10.41 C ATOM 103 CG ASP A 8 0.691 -3.188 -7.019 1.00 45.22 C ATOM 104 OD1 ASP A 8 -0.201 -3.537 -7.821 1.00 62.31 O ATOM 105 OD2 ASP A 8 0.769 -3.622 -5.850 1.00 14.42 O ATOM 0 H ASP A 8 3.940 -3.136 -6.906 1.00 14.30 H new ATOM 0 HA ASP A 8 2.154 -3.570 -9.077 1.00 5.23 H new ATOM 0 HB2 ASP A 8 2.314 -1.848 -6.631 1.00 10.41 H new ATOM 0 HB3 ASP A 8 1.230 -1.314 -7.901 1.00 10.41 H new ATOM 110 N TRP A 9 4.254 -1.122 -9.338 1.00 11.15 N ATOM 111 CA TRP A 9 4.755 -0.076 -10.222 1.00 51.11 C ATOM 112 C TRP A 9 5.092 -0.641 -11.598 1.00 24.24 C ATOM 113 O TRP A 9 4.510 -0.238 -12.605 1.00 72.44 O ATOM 114 CB TRP A 9 5.991 0.588 -9.612 1.00 14.30 C ATOM 115 CG TRP A 9 6.654 1.568 -10.533 1.00 41.50 C ATOM 116 CD1 TRP A 9 7.981 1.627 -10.848 1.00 0.03 C ATOM 117 CD2 TRP A 9 6.020 2.630 -11.255 1.00 5.15 C ATOM 118 NE1 TRP A 9 8.210 2.663 -11.723 1.00 2.14 N ATOM 119 CE2 TRP A 9 7.023 3.292 -11.987 1.00 15.44 C ATOM 120 CE3 TRP A 9 4.702 3.084 -11.353 1.00 12.43 C ATOM 121 CZ2 TRP A 9 6.748 4.384 -12.807 1.00 25.30 C ATOM 122 CZ3 TRP A 9 4.431 4.167 -12.167 1.00 62.21 C ATOM 123 CH2 TRP A 9 5.449 4.807 -12.886 1.00 24.53 C ATOM 0 H TRP A 9 4.881 -1.361 -8.570 1.00 11.15 H new ATOM 0 HA TRP A 9 3.971 0.672 -10.340 1.00 51.11 H new ATOM 0 HB2 TRP A 9 5.704 1.100 -8.694 1.00 14.30 H new ATOM 0 HB3 TRP A 9 6.710 -0.183 -9.335 1.00 14.30 H new ATOM 0 HD1 TRP A 9 8.739 0.959 -10.466 1.00 0.03 H new ATOM 0 HE1 TRP A 9 9.117 2.921 -12.112 1.00 2.14 H new ATOM 0 HE3 TRP A 9 3.910 2.597 -10.803 1.00 12.43 H new ATOM 0 HZ2 TRP A 9 7.532 4.879 -13.361 1.00 25.30 H new ATOM 0 HZ3 TRP A 9 3.416 4.527 -12.251 1.00 62.21 H new ATOM 0 HH2 TRP A 9 5.204 5.650 -13.515 1.00 24.53 H new ATOM 134 N LYS A 10 6.035 -1.576 -11.634 1.00 61.24 N ATOM 135 CA LYS A 10 6.449 -2.198 -12.886 1.00 21.12 C ATOM 136 C LYS A 10 5.324 -3.049 -13.468 1.00 34.43 C ATOM 137 O LYS A 10 5.292 -3.312 -14.670 1.00 12.42 O ATOM 138 CB LYS A 10 7.693 -3.061 -12.664 1.00 64.23 C ATOM 139 CG LYS A 10 8.445 -3.385 -13.943 1.00 42.43 C ATOM 140 CD LYS A 10 9.288 -2.211 -14.408 1.00 62.12 C ATOM 141 CE LYS A 10 10.775 -2.497 -14.256 1.00 53.33 C ATOM 142 NZ LYS A 10 11.329 -1.907 -13.007 1.00 23.24 N ATOM 0 H LYS A 10 6.527 -1.920 -10.810 1.00 61.24 H new ATOM 0 HA LYS A 10 6.686 -1.405 -13.596 1.00 21.12 H new ATOM 0 HB2 LYS A 10 8.365 -2.545 -11.978 1.00 64.23 H new ATOM 0 HB3 LYS A 10 7.397 -3.992 -12.181 1.00 64.23 H new ATOM 0 HG2 LYS A 10 9.086 -4.252 -13.780 1.00 42.43 H new ATOM 0 HG3 LYS A 10 7.735 -3.656 -14.724 1.00 42.43 H new ATOM 0 HD2 LYS A 10 9.064 -1.991 -15.452 1.00 62.12 H new ATOM 0 HD3 LYS A 10 9.026 -1.323 -13.832 1.00 62.12 H new ATOM 0 HE2 LYS A 10 10.939 -3.575 -14.252 1.00 53.33 H new ATOM 0 HE3 LYS A 10 11.312 -2.096 -15.116 1.00 53.33 H new ATOM 0 HZ1 LYS A 10 12.344 -2.124 -12.941 1.00 23.24 H new ATOM 0 HZ2 LYS A 10 11.196 -0.876 -13.021 1.00 23.24 H new ATOM 0 HZ3 LYS A 10 10.835 -2.308 -12.185 1.00 23.24 H new ATOM 156 N MET A 11 4.404 -3.475 -12.609 1.00 32.44 N ATOM 157 CA MET A 11 3.277 -4.294 -13.040 1.00 34.10 C ATOM 158 C MET A 11 2.189 -3.432 -13.672 1.00 33.41 C ATOM 159 O MET A 11 1.861 -3.592 -14.847 1.00 10.43 O ATOM 160 CB MET A 11 2.703 -5.072 -11.855 1.00 2.45 C ATOM 161 CG MET A 11 1.613 -6.057 -12.247 1.00 2.21 C ATOM 162 SD MET A 11 0.827 -6.826 -10.818 1.00 41.20 S ATOM 163 CE MET A 11 1.943 -8.192 -10.511 1.00 12.35 C ATOM 0 H MET A 11 4.417 -3.267 -11.611 1.00 32.44 H new ATOM 0 HA MET A 11 3.637 -4.999 -13.789 1.00 34.10 H new ATOM 0 HB2 MET A 11 3.510 -5.613 -11.361 1.00 2.45 H new ATOM 0 HB3 MET A 11 2.300 -4.367 -11.128 1.00 2.45 H new ATOM 0 HG2 MET A 11 0.857 -5.540 -12.839 1.00 2.21 H new ATOM 0 HG3 MET A 11 2.040 -6.832 -12.883 1.00 2.21 H new ATOM 0 HE1 MET A 11 1.590 -8.765 -9.653 1.00 12.35 H new ATOM 0 HE2 MET A 11 1.978 -8.837 -11.389 1.00 12.35 H new ATOM 0 HE3 MET A 11 2.941 -7.807 -10.304 1.00 12.35 H new ATOM 173 N ALA A 12 1.634 -2.516 -12.885 1.00 70.31 N ATOM 174 CA ALA A 12 0.585 -1.627 -13.369 1.00 11.13 C ATOM 175 C ALA A 12 1.003 -0.938 -14.664 1.00 25.15 C ATOM 176 O ALA A 12 0.185 -0.737 -15.562 1.00 13.34 O ATOM 177 CB ALA A 12 0.236 -0.594 -12.307 1.00 12.42 C ATOM 0 H ALA A 12 1.893 -2.370 -11.909 1.00 70.31 H new ATOM 0 HA ALA A 12 -0.299 -2.229 -13.578 1.00 11.13 H new ATOM 0 HB1 ALA A 12 -0.549 0.063 -12.682 1.00 12.42 H new ATOM 0 HB2 ALA A 12 -0.114 -1.101 -11.408 1.00 12.42 H new ATOM 0 HB3 ALA A 12 1.121 -0.003 -12.069 1.00 12.42 H new ATOM 183 N ILE A 13 2.278 -0.578 -14.750 1.00 35.32 N ATOM 184 CA ILE A 13 2.804 0.089 -15.935 1.00 53.32 C ATOM 185 C ILE A 13 2.937 -0.885 -17.101 1.00 54.43 C ATOM 186 O ILE A 13 2.510 -0.595 -18.220 1.00 65.42 O ATOM 187 CB ILE A 13 4.177 0.730 -15.658 1.00 54.32 C ATOM 188 CG1 ILE A 13 4.036 1.873 -14.651 1.00 34.33 C ATOM 189 CG2 ILE A 13 4.798 1.232 -16.954 1.00 1.14 C ATOM 190 CD1 ILE A 13 3.223 3.038 -15.169 1.00 32.20 C ATOM 0 H ILE A 13 2.966 -0.737 -14.014 1.00 35.32 H new ATOM 0 HA ILE A 13 2.093 0.872 -16.198 1.00 53.32 H new ATOM 0 HB ILE A 13 4.836 -0.026 -15.231 1.00 54.32 H new ATOM 0 HG12 ILE A 13 3.570 1.491 -13.743 1.00 34.33 H new ATOM 0 HG13 ILE A 13 5.029 2.228 -14.375 1.00 34.33 H new ATOM 0 HG21 ILE A 13 5.768 1.682 -16.742 1.00 1.14 H new ATOM 0 HG22 ILE A 13 4.928 0.397 -17.642 1.00 1.14 H new ATOM 0 HG23 ILE A 13 4.143 1.977 -17.407 1.00 1.14 H new ATOM 0 HD11 ILE A 13 3.165 3.811 -14.402 1.00 32.20 H new ATOM 0 HD12 ILE A 13 3.699 3.446 -16.060 1.00 32.20 H new ATOM 0 HD13 ILE A 13 2.218 2.698 -15.418 1.00 32.20 H new ATOM 202 N LYS A 14 3.529 -2.043 -16.833 1.00 23.22 N ATOM 203 CA LYS A 14 3.715 -3.064 -17.858 1.00 70.41 C ATOM 204 C LYS A 14 2.372 -3.549 -18.393 1.00 5.25 C ATOM 205 O LYS A 14 2.284 -4.045 -19.516 1.00 51.25 O ATOM 206 CB LYS A 14 4.508 -4.245 -17.293 1.00 65.45 C ATOM 207 CG LYS A 14 4.785 -5.335 -18.313 1.00 65.02 C ATOM 208 CD LYS A 14 5.736 -4.857 -19.396 1.00 3.35 C ATOM 209 CE LYS A 14 7.160 -4.737 -18.874 1.00 10.45 C ATOM 210 NZ LYS A 14 7.952 -5.972 -19.134 1.00 25.11 N ATOM 0 H LYS A 14 3.889 -2.299 -15.914 1.00 23.22 H new ATOM 0 HA LYS A 14 4.275 -2.619 -18.681 1.00 70.41 H new ATOM 0 HB2 LYS A 14 5.456 -3.880 -16.898 1.00 65.45 H new ATOM 0 HB3 LYS A 14 3.958 -4.674 -16.456 1.00 65.45 H new ATOM 0 HG2 LYS A 14 5.211 -6.204 -17.811 1.00 65.02 H new ATOM 0 HG3 LYS A 14 3.848 -5.656 -18.767 1.00 65.02 H new ATOM 0 HD2 LYS A 14 5.712 -5.552 -20.235 1.00 3.35 H new ATOM 0 HD3 LYS A 14 5.403 -3.890 -19.773 1.00 3.35 H new ATOM 0 HE2 LYS A 14 7.649 -3.885 -19.347 1.00 10.45 H new ATOM 0 HE3 LYS A 14 7.139 -4.538 -17.803 1.00 10.45 H new ATOM 0 HZ1 LYS A 14 8.916 -5.851 -18.764 1.00 25.11 H new ATOM 0 HZ2 LYS A 14 7.499 -6.781 -18.662 1.00 25.11 H new ATOM 0 HZ3 LYS A 14 7.994 -6.148 -20.158 1.00 25.11 H new ATOM 224 N ARG A 15 1.329 -3.402 -17.583 1.00 44.12 N ATOM 225 CA ARG A 15 -0.010 -3.825 -17.976 1.00 23.34 C ATOM 226 C ARG A 15 -0.659 -2.794 -18.893 1.00 34.42 C ATOM 227 O ARG A 15 -1.056 -3.110 -20.015 1.00 43.43 O ATOM 228 CB ARG A 15 -0.882 -4.043 -16.738 1.00 24.40 C ATOM 229 CG ARG A 15 -0.916 -5.485 -16.263 1.00 2.23 C ATOM 230 CD ARG A 15 0.452 -5.947 -15.784 1.00 41.11 C ATOM 231 NE ARG A 15 0.544 -7.403 -15.713 1.00 52.20 N ATOM 232 CZ ARG A 15 -0.026 -8.130 -14.760 1.00 61.12 C ATOM 233 NH1 ARG A 15 -0.728 -7.540 -13.802 1.00 1.24 N ATOM 234 NH2 ARG A 15 0.104 -9.451 -14.763 1.00 52.33 N ATOM 0 H ARG A 15 1.385 -2.993 -16.650 1.00 44.12 H new ATOM 0 HA ARG A 15 0.078 -4.765 -18.521 1.00 23.34 H new ATOM 0 HB2 ARG A 15 -0.514 -3.412 -15.929 1.00 24.40 H new ATOM 0 HB3 ARG A 15 -1.899 -3.718 -16.959 1.00 24.40 H new ATOM 0 HG2 ARG A 15 -1.639 -5.585 -15.454 1.00 2.23 H new ATOM 0 HG3 ARG A 15 -1.255 -6.129 -17.075 1.00 2.23 H new ATOM 0 HD2 ARG A 15 1.219 -5.568 -16.459 1.00 41.11 H new ATOM 0 HD3 ARG A 15 0.654 -5.523 -14.801 1.00 41.11 H new ATOM 0 HE ARG A 15 1.076 -7.888 -16.436 1.00 52.20 H new ATOM 0 HH11 ARG A 15 -0.831 -6.525 -13.796 1.00 1.24 H new ATOM 0 HH12 ARG A 15 -1.165 -8.101 -13.071 1.00 1.24 H new ATOM 0 HH21 ARG A 15 0.643 -9.909 -15.498 1.00 52.33 H new ATOM 0 HH22 ARG A 15 -0.335 -10.008 -14.030 1.00 52.33 H new ATOM 248 N CYS A 16 -0.761 -1.560 -18.410 1.00 14.54 N ATOM 249 CA CYS A 16 -1.363 -0.482 -19.187 1.00 4.11 C ATOM 250 C CYS A 16 -0.601 -0.260 -20.489 1.00 73.24 C ATOM 251 O CYS A 16 -1.131 0.315 -21.440 1.00 3.31 O ATOM 252 CB CYS A 16 -1.388 0.810 -18.370 1.00 42.12 C ATOM 253 SG CYS A 16 0.234 1.577 -18.151 1.00 63.32 S ATOM 0 H CYS A 16 -0.435 -1.282 -17.485 1.00 14.54 H new ATOM 0 HA CYS A 16 -2.386 -0.769 -19.430 1.00 4.11 H new ATOM 0 HB2 CYS A 16 -2.052 1.523 -18.858 1.00 42.12 H new ATOM 0 HB3 CYS A 16 -1.813 0.599 -17.389 1.00 42.12 H new ATOM 0 HG CYS A 16 0.171 2.830 -18.490 1.00 63.32 H new ATOM 259 N SER A 17 0.647 -0.717 -20.524 1.00 53.43 N ATOM 260 CA SER A 17 1.484 -0.564 -21.708 1.00 74.31 C ATOM 261 C SER A 17 0.799 -1.150 -22.939 1.00 41.11 C ATOM 262 O SER A 17 1.062 -0.735 -24.067 1.00 44.12 O ATOM 263 CB SER A 17 2.838 -1.242 -21.493 1.00 61.12 C ATOM 264 OG SER A 17 3.756 -0.884 -22.512 1.00 5.41 O ATOM 0 H SER A 17 1.100 -1.196 -19.746 1.00 53.43 H new ATOM 0 HA SER A 17 1.641 0.502 -21.875 1.00 74.31 H new ATOM 0 HB2 SER A 17 3.240 -0.958 -20.521 1.00 61.12 H new ATOM 0 HB3 SER A 17 2.708 -2.324 -21.480 1.00 61.12 H new ATOM 0 HG SER A 17 4.614 -1.329 -22.351 1.00 5.41 H new ATOM 270 N ASN A 18 -0.083 -2.119 -22.712 1.00 33.22 N ATOM 271 CA ASN A 18 -0.806 -2.764 -23.801 1.00 54.54 C ATOM 272 C ASN A 18 -2.179 -2.127 -23.995 1.00 72.34 C ATOM 273 O ASN A 18 -3.118 -2.776 -24.457 1.00 23.13 O ATOM 274 CB ASN A 18 -0.962 -4.261 -23.522 1.00 2.12 C ATOM 275 CG ASN A 18 0.370 -4.983 -23.481 1.00 35.11 C ATOM 276 OD1 ASN A 18 0.910 -5.255 -22.408 1.00 73.14 O ATOM 277 ND2 ASN A 18 0.909 -5.298 -24.654 1.00 60.14 N ATOM 0 H ASN A 18 -0.314 -2.474 -21.784 1.00 33.22 H new ATOM 0 HA ASN A 18 -0.229 -2.629 -24.716 1.00 54.54 H new ATOM 0 HB2 ASN A 18 -1.476 -4.399 -22.571 1.00 2.12 H new ATOM 0 HB3 ASN A 18 -1.591 -4.708 -24.292 1.00 2.12 H new ATOM 0 HD21 ASN A 18 1.805 -5.784 -24.689 1.00 60.14 H new ATOM 0 HD22 ASN A 18 0.427 -5.053 -25.519 1.00 60.14 H new ATOM 284 N VAL A 19 -2.287 -0.850 -23.640 1.00 54.22 N ATOM 285 CA VAL A 19 -3.544 -0.124 -23.777 1.00 61.25 C ATOM 286 C VAL A 19 -3.420 1.001 -24.800 1.00 1.03 C ATOM 287 O VAL A 19 -2.367 1.624 -24.927 1.00 52.13 O ATOM 288 CB VAL A 19 -3.998 0.470 -22.431 1.00 64.43 C ATOM 289 CG1 VAL A 19 -5.320 1.207 -22.590 1.00 20.23 C ATOM 290 CG2 VAL A 19 -4.111 -0.622 -21.378 1.00 3.41 C ATOM 0 H VAL A 19 -1.520 -0.298 -23.256 1.00 54.22 H new ATOM 0 HA VAL A 19 -4.289 -0.842 -24.119 1.00 61.25 H new ATOM 0 HB VAL A 19 -3.247 1.187 -22.099 1.00 64.43 H new ATOM 0 HG11 VAL A 19 -5.624 1.620 -21.628 1.00 20.23 H new ATOM 0 HG12 VAL A 19 -5.201 2.016 -23.311 1.00 20.23 H new ATOM 0 HG13 VAL A 19 -6.083 0.514 -22.945 1.00 20.23 H new ATOM 0 HG21 VAL A 19 -4.433 -0.184 -20.433 1.00 3.41 H new ATOM 0 HG22 VAL A 19 -4.840 -1.365 -21.701 1.00 3.41 H new ATOM 0 HG23 VAL A 19 -3.141 -1.100 -21.244 1.00 3.41 H new ATOM 300 N ALA A 20 -4.503 1.254 -25.527 1.00 63.20 N ATOM 301 CA ALA A 20 -4.517 2.304 -26.537 1.00 72.31 C ATOM 302 C ALA A 20 -4.808 3.665 -25.911 1.00 25.15 C ATOM 303 O ALA A 20 -5.410 3.750 -24.841 1.00 70.51 O ATOM 304 CB ALA A 20 -5.543 1.988 -27.614 1.00 52.50 C ATOM 0 H ALA A 20 -5.382 0.746 -25.435 1.00 63.20 H new ATOM 0 HA ALA A 20 -3.528 2.346 -26.994 1.00 72.31 H new ATOM 0 HB1 ALA A 20 -5.542 2.781 -28.361 1.00 52.50 H new ATOM 0 HB2 ALA A 20 -5.291 1.040 -28.090 1.00 52.50 H new ATOM 0 HB3 ALA A 20 -6.533 1.915 -27.163 1.00 52.50 H new ATOM 310 N VAL A 21 -4.374 4.726 -26.584 1.00 43.42 N ATOM 311 CA VAL A 21 -4.589 6.081 -26.093 1.00 72.52 C ATOM 312 C VAL A 21 -6.030 6.526 -26.315 1.00 53.41 C ATOM 313 O VAL A 21 -6.569 7.326 -25.552 1.00 73.04 O ATOM 314 CB VAL A 21 -3.643 7.084 -26.782 1.00 4.34 C ATOM 315 CG1 VAL A 21 -3.758 6.974 -28.295 1.00 1.25 C ATOM 316 CG2 VAL A 21 -3.940 8.502 -26.317 1.00 13.44 C ATOM 0 H VAL A 21 -3.872 4.673 -27.470 1.00 43.42 H new ATOM 0 HA VAL A 21 -4.377 6.066 -25.024 1.00 72.52 H new ATOM 0 HB VAL A 21 -2.618 6.842 -26.502 1.00 4.34 H new ATOM 0 HG11 VAL A 21 -3.083 7.690 -28.764 1.00 1.25 H new ATOM 0 HG12 VAL A 21 -3.491 5.965 -28.608 1.00 1.25 H new ATOM 0 HG13 VAL A 21 -4.783 7.189 -28.599 1.00 1.25 H new ATOM 0 HG21 VAL A 21 -3.263 9.197 -26.813 1.00 13.44 H new ATOM 0 HG22 VAL A 21 -4.970 8.758 -26.566 1.00 13.44 H new ATOM 0 HG23 VAL A 21 -3.800 8.568 -25.238 1.00 13.44 H new ATOM 326 N GLY A 22 -6.651 5.999 -27.367 1.00 33.53 N ATOM 327 CA GLY A 22 -8.024 6.352 -27.672 1.00 70.13 C ATOM 328 C GLY A 22 -8.459 5.864 -29.039 1.00 1.21 C ATOM 329 O GLY A 22 -7.724 5.140 -29.711 1.00 3.53 O ATOM 0 H GLY A 22 -6.226 5.334 -28.013 1.00 33.53 H new ATOM 0 HA2 GLY A 22 -8.682 5.929 -26.913 1.00 70.13 H new ATOM 0 HA3 GLY A 22 -8.137 7.435 -27.624 1.00 70.13 H new ATOM 333 N VAL A 23 -9.659 6.260 -29.454 1.00 63.32 N ATOM 334 CA VAL A 23 -10.191 5.858 -30.750 1.00 33.10 C ATOM 335 C VAL A 23 -9.754 6.822 -31.847 1.00 14.25 C ATOM 336 O VAL A 23 -9.358 6.404 -32.934 1.00 2.32 O ATOM 337 CB VAL A 23 -11.730 5.788 -30.728 1.00 3.15 C ATOM 338 CG1 VAL A 23 -12.260 5.279 -32.060 1.00 64.00 C ATOM 339 CG2 VAL A 23 -12.206 4.906 -29.583 1.00 33.45 C ATOM 0 H VAL A 23 -10.281 6.859 -28.911 1.00 63.32 H new ATOM 0 HA VAL A 23 -9.792 4.866 -30.961 1.00 33.10 H new ATOM 0 HB VAL A 23 -12.121 6.793 -30.569 1.00 3.15 H new ATOM 0 HG11 VAL A 23 -13.349 5.236 -32.026 1.00 64.00 H new ATOM 0 HG12 VAL A 23 -11.948 5.954 -32.857 1.00 64.00 H new ATOM 0 HG13 VAL A 23 -11.863 4.282 -32.252 1.00 64.00 H new ATOM 0 HG21 VAL A 23 -13.295 4.867 -29.582 1.00 33.45 H new ATOM 0 HG22 VAL A 23 -11.807 3.899 -29.709 1.00 33.45 H new ATOM 0 HG23 VAL A 23 -11.857 5.319 -28.636 1.00 33.45 H new ATOM 349 N GLY A 24 -9.826 8.116 -31.553 1.00 72.52 N ATOM 350 CA GLY A 24 -9.433 9.121 -32.524 1.00 30.40 C ATOM 351 C GLY A 24 -7.998 9.575 -32.341 1.00 72.35 C ATOM 352 O GLY A 24 -7.382 9.310 -31.310 1.00 43.32 O ATOM 0 H GLY A 24 -10.149 8.487 -30.660 1.00 72.52 H new ATOM 0 HA2 GLY A 24 -9.558 8.719 -33.529 1.00 30.40 H new ATOM 0 HA3 GLY A 24 -10.097 9.982 -32.440 1.00 30.40 H new ATOM 356 N GLY A 25 -7.463 10.261 -33.347 1.00 40.04 N ATOM 357 CA GLY A 25 -6.095 10.740 -33.273 1.00 54.24 C ATOM 358 C GLY A 25 -5.087 9.676 -33.659 1.00 1.34 C ATOM 359 O GLY A 25 -4.182 9.358 -32.887 1.00 11.40 O ATOM 0 H GLY A 25 -7.952 10.493 -34.211 1.00 40.04 H new ATOM 0 HA2 GLY A 25 -5.979 11.602 -33.930 1.00 54.24 H new ATOM 0 HA3 GLY A 25 -5.887 11.082 -32.259 1.00 54.24 H new ATOM 363 N LYS A 26 -5.243 9.122 -34.856 1.00 74.32 N ATOM 364 CA LYS A 26 -4.339 8.087 -35.345 1.00 31.32 C ATOM 365 C LYS A 26 -4.377 6.860 -34.439 1.00 41.43 C ATOM 366 O LYS A 26 -5.101 6.834 -33.444 1.00 22.32 O ATOM 367 CB LYS A 26 -2.910 8.627 -35.429 1.00 40.01 C ATOM 368 CG LYS A 26 -2.470 8.963 -36.844 1.00 35.43 C ATOM 369 CD LYS A 26 -3.125 10.240 -37.343 1.00 24.11 C ATOM 370 CE LYS A 26 -2.204 11.440 -37.179 1.00 61.14 C ATOM 371 NZ LYS A 26 -2.314 12.383 -38.326 1.00 21.51 N ATOM 0 H LYS A 26 -5.988 9.372 -35.506 1.00 74.32 H new ATOM 0 HA LYS A 26 -4.669 7.793 -36.341 1.00 31.32 H new ATOM 0 HB2 LYS A 26 -2.831 9.521 -34.811 1.00 40.01 H new ATOM 0 HB3 LYS A 26 -2.226 7.889 -35.010 1.00 40.01 H new ATOM 0 HG2 LYS A 26 -1.386 9.074 -36.872 1.00 35.43 H new ATOM 0 HG3 LYS A 26 -2.724 8.139 -37.510 1.00 35.43 H new ATOM 0 HD2 LYS A 26 -3.393 10.126 -38.393 1.00 24.11 H new ATOM 0 HD3 LYS A 26 -4.051 10.413 -36.795 1.00 24.11 H new ATOM 0 HE2 LYS A 26 -2.449 11.962 -36.254 1.00 61.14 H new ATOM 0 HE3 LYS A 26 -1.173 11.097 -37.088 1.00 61.14 H new ATOM 0 HZ1 LYS A 26 -1.671 13.187 -38.177 1.00 21.51 H new ATOM 0 HZ2 LYS A 26 -2.056 11.892 -39.205 1.00 21.51 H new ATOM 0 HZ3 LYS A 26 -3.292 12.730 -38.398 1.00 21.51 H new ATOM 385 N SER A 27 -3.593 5.846 -34.791 1.00 64.24 N ATOM 386 CA SER A 27 -3.540 4.616 -34.010 1.00 12.33 C ATOM 387 C SER A 27 -2.305 4.594 -33.112 1.00 61.35 C ATOM 388 O SER A 27 -1.254 4.080 -33.493 1.00 53.22 O ATOM 389 CB SER A 27 -3.530 3.399 -34.937 1.00 42.12 C ATOM 390 OG SER A 27 -3.336 3.787 -36.286 1.00 24.01 O ATOM 0 H SER A 27 -2.986 5.852 -35.611 1.00 64.24 H new ATOM 0 HA SER A 27 -4.428 4.578 -33.379 1.00 12.33 H new ATOM 0 HB2 SER A 27 -2.738 2.714 -34.635 1.00 42.12 H new ATOM 0 HB3 SER A 27 -4.472 2.858 -34.843 1.00 42.12 H new ATOM 0 HG SER A 27 -3.332 2.991 -36.858 1.00 24.01 H new ATOM 396 N LYS A 28 -2.443 5.159 -31.917 1.00 30.53 N ATOM 397 CA LYS A 28 -1.341 5.206 -30.963 1.00 44.32 C ATOM 398 C LYS A 28 -1.755 4.601 -29.624 1.00 15.12 C ATOM 399 O LYS A 28 -2.937 4.357 -29.381 1.00 4.12 O ATOM 400 CB LYS A 28 -0.876 6.650 -30.760 1.00 11.02 C ATOM 401 CG LYS A 28 0.320 7.030 -31.616 1.00 43.31 C ATOM 402 CD LYS A 28 0.503 8.537 -31.679 1.00 33.03 C ATOM 403 CE LYS A 28 1.926 8.940 -31.320 1.00 52.41 C ATOM 404 NZ LYS A 28 2.884 8.631 -32.417 1.00 42.33 N ATOM 0 H LYS A 28 -3.306 5.590 -31.586 1.00 30.53 H new ATOM 0 HA LYS A 28 -0.517 4.619 -31.368 1.00 44.32 H new ATOM 0 HB2 LYS A 28 -1.702 7.324 -30.986 1.00 11.02 H new ATOM 0 HB3 LYS A 28 -0.622 6.797 -29.710 1.00 11.02 H new ATOM 0 HG2 LYS A 28 1.221 6.570 -31.210 1.00 43.31 H new ATOM 0 HG3 LYS A 28 0.188 6.636 -32.624 1.00 43.31 H new ATOM 0 HD2 LYS A 28 0.265 8.892 -32.682 1.00 33.03 H new ATOM 0 HD3 LYS A 28 -0.196 9.019 -30.996 1.00 33.03 H new ATOM 0 HE2 LYS A 28 1.957 10.007 -31.101 1.00 52.41 H new ATOM 0 HE3 LYS A 28 2.233 8.420 -30.413 1.00 52.41 H new ATOM 0 HZ1 LYS A 28 3.842 8.920 -32.133 1.00 42.33 H new ATOM 0 HZ2 LYS A 28 2.874 7.609 -32.609 1.00 42.33 H new ATOM 0 HZ3 LYS A 28 2.606 9.147 -33.276 1.00 42.33 H new ATOM 418 N LYS A 29 -0.775 4.363 -28.759 1.00 74.43 N ATOM 419 CA LYS A 29 -1.036 3.790 -27.445 1.00 42.52 C ATOM 420 C LYS A 29 -0.477 4.682 -26.341 1.00 1.11 C ATOM 421 O LYS A 29 0.276 5.618 -26.608 1.00 13.04 O ATOM 422 CB LYS A 29 -0.423 2.392 -27.345 1.00 3.44 C ATOM 423 CG LYS A 29 1.073 2.363 -27.605 1.00 42.33 C ATOM 424 CD LYS A 29 1.783 1.398 -26.670 1.00 72.12 C ATOM 425 CE LYS A 29 2.898 0.649 -27.384 1.00 31.53 C ATOM 426 NZ LYS A 29 2.639 -0.816 -27.434 1.00 24.21 N ATOM 0 H LYS A 29 0.209 4.559 -28.945 1.00 74.43 H new ATOM 0 HA LYS A 29 -2.116 3.717 -27.316 1.00 42.52 H new ATOM 0 HB2 LYS A 29 -0.618 1.989 -26.351 1.00 3.44 H new ATOM 0 HB3 LYS A 29 -0.920 1.735 -28.059 1.00 3.44 H new ATOM 0 HG2 LYS A 29 1.258 2.072 -28.639 1.00 42.33 H new ATOM 0 HG3 LYS A 29 1.485 3.364 -27.477 1.00 42.33 H new ATOM 0 HD2 LYS A 29 2.196 1.947 -25.824 1.00 72.12 H new ATOM 0 HD3 LYS A 29 1.064 0.685 -26.267 1.00 72.12 H new ATOM 0 HE2 LYS A 29 3.002 1.034 -28.398 1.00 31.53 H new ATOM 0 HE3 LYS A 29 3.844 0.833 -26.874 1.00 31.53 H new ATOM 0 HZ1 LYS A 29 3.422 -1.290 -27.928 1.00 24.21 H new ATOM 0 HZ2 LYS A 29 2.565 -1.189 -26.466 1.00 24.21 H new ATOM 0 HZ3 LYS A 29 1.750 -0.994 -27.943 1.00 24.21 H new ATOM 440 N PHE A 30 -0.849 4.385 -25.101 1.00 41.40 N ATOM 441 CA PHE A 30 -0.385 5.160 -23.956 1.00 32.25 C ATOM 442 C PHE A 30 1.099 4.912 -23.699 1.00 61.22 C ATOM 443 O PHE A 30 1.574 3.780 -23.782 1.00 32.40 O ATOM 444 CB PHE A 30 -1.197 4.805 -22.709 1.00 72.41 C ATOM 445 CG PHE A 30 -1.763 6.003 -22.002 1.00 21.32 C ATOM 446 CD1 PHE A 30 -3.133 6.163 -21.870 1.00 13.34 C ATOM 447 CD2 PHE A 30 -0.925 6.970 -21.469 1.00 53.34 C ATOM 448 CE1 PHE A 30 -3.658 7.264 -21.220 1.00 2.35 C ATOM 449 CE2 PHE A 30 -1.444 8.072 -20.818 1.00 71.44 C ATOM 450 CZ PHE A 30 -2.812 8.220 -20.694 1.00 33.40 C ATOM 0 H PHE A 30 -1.471 3.613 -24.863 1.00 41.40 H new ATOM 0 HA PHE A 30 -0.526 6.217 -24.182 1.00 32.25 H new ATOM 0 HB2 PHE A 30 -2.014 4.141 -22.994 1.00 72.41 H new ATOM 0 HB3 PHE A 30 -0.562 4.251 -22.017 1.00 72.41 H new ATOM 0 HD1 PHE A 30 -3.799 5.418 -22.280 1.00 13.34 H new ATOM 0 HD2 PHE A 30 0.145 6.861 -21.564 1.00 53.34 H new ATOM 0 HE1 PHE A 30 -4.728 7.376 -21.124 1.00 2.35 H new ATOM 0 HE2 PHE A 30 -0.781 8.818 -20.406 1.00 71.44 H new ATOM 0 HZ PHE A 30 -3.219 9.082 -20.186 1.00 33.40 H new ATOM 460 N GLY A 31 1.826 5.980 -23.386 1.00 22.21 N ATOM 461 CA GLY A 31 3.248 5.858 -23.121 1.00 70.23 C ATOM 462 C GLY A 31 3.598 6.171 -21.679 1.00 11.11 C ATOM 463 O GLY A 31 2.767 6.682 -20.929 1.00 50.52 O ATOM 0 H GLY A 31 1.456 6.928 -23.311 1.00 22.21 H new ATOM 0 HA2 GLY A 31 3.573 4.845 -23.359 1.00 70.23 H new ATOM 0 HA3 GLY A 31 3.796 6.532 -23.779 1.00 70.23 H new ATOM 467 N GLU A 32 4.831 5.862 -21.291 1.00 15.32 N ATOM 468 CA GLU A 32 5.287 6.111 -19.929 1.00 13.04 C ATOM 469 C GLU A 32 5.226 7.599 -19.598 1.00 30.11 C ATOM 470 O GLU A 32 4.800 7.987 -18.511 1.00 44.45 O ATOM 471 CB GLU A 32 6.716 5.595 -19.743 1.00 33.31 C ATOM 472 CG GLU A 32 7.709 6.181 -20.734 1.00 60.34 C ATOM 473 CD GLU A 32 8.492 7.343 -20.157 1.00 24.50 C ATOM 474 OE1 GLU A 32 8.712 8.333 -20.887 1.00 43.33 O ATOM 475 OE2 GLU A 32 8.887 7.264 -18.974 1.00 14.32 O ATOM 0 H GLU A 32 5.531 5.439 -21.900 1.00 15.32 H new ATOM 0 HA GLU A 32 4.624 5.577 -19.248 1.00 13.04 H new ATOM 0 HB2 GLU A 32 7.047 5.825 -18.730 1.00 33.31 H new ATOM 0 HB3 GLU A 32 6.717 4.509 -19.840 1.00 33.31 H new ATOM 0 HG2 GLU A 32 8.403 5.402 -21.051 1.00 60.34 H new ATOM 0 HG3 GLU A 32 7.175 6.514 -21.624 1.00 60.34 H new ATOM 482 N GLY A 33 5.655 8.429 -20.544 1.00 12.14 N ATOM 483 CA GLY A 33 5.642 9.864 -20.334 1.00 51.04 C ATOM 484 C GLY A 33 4.241 10.407 -20.133 1.00 61.14 C ATOM 485 O GLY A 33 4.001 11.205 -19.227 1.00 41.40 O ATOM 0 H GLY A 33 6.011 8.132 -21.452 1.00 12.14 H new ATOM 0 HA2 GLY A 33 6.251 10.106 -19.463 1.00 51.04 H new ATOM 0 HA3 GLY A 33 6.100 10.358 -21.191 1.00 51.04 H new ATOM 489 N ASN A 34 3.313 9.976 -20.981 1.00 2.31 N ATOM 490 CA ASN A 34 1.928 10.425 -20.894 1.00 71.33 C ATOM 491 C ASN A 34 1.347 10.134 -19.513 1.00 34.14 C ATOM 492 O ASN A 34 0.723 10.996 -18.895 1.00 13.21 O ATOM 493 CB ASN A 34 1.080 9.746 -21.970 1.00 1.42 C ATOM 494 CG ASN A 34 1.560 10.066 -23.373 1.00 23.01 C ATOM 495 OD1 ASN A 34 2.539 9.493 -23.852 1.00 65.13 O ATOM 496 ND2 ASN A 34 0.872 10.986 -24.038 1.00 61.15 N ATOM 0 H ASN A 34 3.495 9.316 -21.737 1.00 2.31 H new ATOM 0 HA ASN A 34 1.912 11.503 -21.056 1.00 71.33 H new ATOM 0 HB2 ASN A 34 1.102 8.667 -21.819 1.00 1.42 H new ATOM 0 HB3 ASN A 34 0.042 10.061 -21.863 1.00 1.42 H new ATOM 0 HD21 ASN A 34 1.148 11.244 -24.985 1.00 61.15 H new ATOM 0 HD22 ASN A 34 0.067 11.435 -23.602 1.00 61.15 H new ATOM 503 N PHE A 35 1.559 8.912 -19.035 1.00 1.02 N ATOM 504 CA PHE A 35 1.057 8.506 -17.727 1.00 54.52 C ATOM 505 C PHE A 35 1.745 9.289 -16.613 1.00 1.55 C ATOM 506 O PHE A 35 1.088 9.855 -15.740 1.00 42.31 O ATOM 507 CB PHE A 35 1.271 7.004 -17.520 1.00 61.52 C ATOM 508 CG PHE A 35 0.069 6.175 -17.866 1.00 0.42 C ATOM 509 CD1 PHE A 35 -1.094 6.268 -17.118 1.00 62.23 C ATOM 510 CD2 PHE A 35 0.101 5.299 -18.940 1.00 71.54 C ATOM 511 CE1 PHE A 35 -2.202 5.505 -17.435 1.00 52.21 C ATOM 512 CE2 PHE A 35 -1.004 4.534 -19.263 1.00 23.50 C ATOM 513 CZ PHE A 35 -2.157 4.637 -18.507 1.00 53.44 C ATOM 0 H PHE A 35 2.074 8.186 -19.533 1.00 1.02 H new ATOM 0 HA PHE A 35 -0.011 8.722 -17.691 1.00 54.52 H new ATOM 0 HB2 PHE A 35 2.115 6.678 -18.128 1.00 61.52 H new ATOM 0 HB3 PHE A 35 1.540 6.823 -16.479 1.00 61.52 H new ATOM 0 HD1 PHE A 35 -1.135 6.945 -16.277 1.00 62.23 H new ATOM 0 HD2 PHE A 35 1.000 5.213 -19.532 1.00 71.54 H new ATOM 0 HE1 PHE A 35 -3.102 5.588 -16.844 1.00 52.21 H new ATOM 0 HE2 PHE A 35 -0.967 3.857 -20.104 1.00 23.50 H new ATOM 0 HZ PHE A 35 -3.021 4.039 -18.755 1.00 53.44 H new ATOM 523 N ARG A 36 3.073 9.315 -16.650 1.00 23.34 N ATOM 524 CA ARG A 36 3.852 10.026 -15.643 1.00 51.52 C ATOM 525 C ARG A 36 3.361 11.463 -15.491 1.00 35.14 C ATOM 526 O ARG A 36 3.454 12.049 -14.413 1.00 71.14 O ATOM 527 CB ARG A 36 5.336 10.018 -16.015 1.00 12.40 C ATOM 528 CG ARG A 36 6.265 10.174 -14.822 1.00 45.25 C ATOM 529 CD ARG A 36 7.637 10.669 -15.246 1.00 23.31 C ATOM 530 NE ARG A 36 8.657 9.632 -15.120 1.00 3.44 N ATOM 531 CZ ARG A 36 9.963 9.874 -15.168 1.00 63.03 C ATOM 532 NH1 ARG A 36 10.404 11.112 -15.337 1.00 13.22 N ATOM 533 NH2 ARG A 36 10.828 8.876 -15.046 1.00 71.40 N ATOM 0 H ARG A 36 3.632 8.852 -17.366 1.00 23.34 H new ATOM 0 HA ARG A 36 3.722 9.513 -14.690 1.00 51.52 H new ATOM 0 HB2 ARG A 36 5.569 9.084 -16.526 1.00 12.40 H new ATOM 0 HB3 ARG A 36 5.529 10.825 -16.722 1.00 12.40 H new ATOM 0 HG2 ARG A 36 5.829 10.874 -14.109 1.00 45.25 H new ATOM 0 HG3 ARG A 36 6.365 9.217 -14.309 1.00 45.25 H new ATOM 0 HD2 ARG A 36 7.595 11.012 -16.280 1.00 23.31 H new ATOM 0 HD3 ARG A 36 7.917 11.528 -14.636 1.00 23.31 H new ATOM 0 HE ARG A 36 8.350 8.668 -14.988 1.00 3.44 H new ATOM 0 HH11 ARG A 36 9.741 11.881 -15.430 1.00 13.22 H new ATOM 0 HH12 ARG A 36 11.407 11.296 -15.374 1.00 13.22 H new ATOM 0 HH21 ARG A 36 10.491 7.922 -14.915 1.00 71.40 H new ATOM 0 HH22 ARG A 36 11.830 9.062 -15.083 1.00 71.40 H new ATOM 547 N TRP A 37 2.844 12.023 -16.579 1.00 44.14 N ATOM 548 CA TRP A 37 2.339 13.391 -16.567 1.00 1.04 C ATOM 549 C TRP A 37 1.004 13.473 -15.835 1.00 21.50 C ATOM 550 O TRP A 37 0.872 14.194 -14.846 1.00 44.13 O ATOM 551 CB TRP A 37 2.184 13.912 -17.996 1.00 33.32 C ATOM 552 CG TRP A 37 1.430 15.204 -18.079 1.00 71.24 C ATOM 553 CD1 TRP A 37 1.937 16.461 -17.916 1.00 20.21 C ATOM 554 CD2 TRP A 37 0.032 15.366 -18.344 1.00 42.22 C ATOM 555 NE1 TRP A 37 0.940 17.395 -18.063 1.00 52.50 N ATOM 556 CE2 TRP A 37 -0.239 16.748 -18.328 1.00 4.43 C ATOM 557 CE3 TRP A 37 -1.017 14.477 -18.596 1.00 14.44 C ATOM 558 CZ2 TRP A 37 -1.514 17.259 -18.551 1.00 31.24 C ATOM 559 CZ3 TRP A 37 -2.282 14.986 -18.818 1.00 54.12 C ATOM 560 CH2 TRP A 37 -2.522 16.366 -18.795 1.00 52.34 C ATOM 0 H TRP A 37 2.764 11.551 -17.480 1.00 44.14 H new ATOM 0 HA TRP A 37 3.061 14.013 -16.037 1.00 1.04 H new ATOM 0 HB2 TRP A 37 3.173 14.048 -18.435 1.00 33.32 H new ATOM 0 HB3 TRP A 37 1.670 13.161 -18.595 1.00 33.32 H new ATOM 0 HD1 TRP A 37 2.971 16.688 -17.703 1.00 20.21 H new ATOM 0 HE1 TRP A 37 1.058 18.405 -17.987 1.00 52.50 H new ATOM 0 HE3 TRP A 37 -0.842 13.412 -18.617 1.00 14.44 H new ATOM 0 HZ2 TRP A 37 -1.701 18.322 -18.532 1.00 31.24 H new ATOM 0 HZ3 TRP A 37 -3.100 14.308 -19.013 1.00 54.12 H new ATOM 0 HH2 TRP A 37 -3.522 16.732 -18.973 1.00 52.34 H new ATOM 571 N ALA A 38 0.018 12.732 -16.326 1.00 12.51 N ATOM 572 CA ALA A 38 -1.306 12.719 -15.717 1.00 54.24 C ATOM 573 C ALA A 38 -1.231 12.319 -14.248 1.00 4.50 C ATOM 574 O ALA A 38 -1.956 12.856 -13.411 1.00 3.12 O ATOM 575 CB ALA A 38 -2.228 11.777 -16.476 1.00 54.53 C ATOM 0 H ALA A 38 0.111 12.132 -17.145 1.00 12.51 H new ATOM 0 HA ALA A 38 -1.713 13.729 -15.771 1.00 54.24 H new ATOM 0 HB1 ALA A 38 -3.213 11.778 -16.009 1.00 54.53 H new ATOM 0 HB2 ALA A 38 -2.316 12.109 -17.510 1.00 54.53 H new ATOM 0 HB3 ALA A 38 -1.816 10.768 -16.453 1.00 54.53 H new ATOM 581 N ILE A 39 -0.350 11.372 -13.942 1.00 2.22 N ATOM 582 CA ILE A 39 -0.180 10.900 -12.573 1.00 55.34 C ATOM 583 C ILE A 39 0.488 11.960 -11.705 1.00 14.34 C ATOM 584 O ILE A 39 -0.105 12.460 -10.751 1.00 44.23 O ATOM 585 CB ILE A 39 0.656 9.608 -12.523 1.00 3.13 C ATOM 586 CG1 ILE A 39 -0.069 8.475 -13.251 1.00 70.23 C ATOM 587 CG2 ILE A 39 0.944 9.219 -11.081 1.00 21.41 C ATOM 588 CD1 ILE A 39 -1.361 8.057 -12.584 1.00 2.33 C ATOM 0 H ILE A 39 0.257 10.917 -14.624 1.00 2.22 H new ATOM 0 HA ILE A 39 -1.177 10.692 -12.184 1.00 55.34 H new ATOM 0 HB ILE A 39 1.605 9.789 -13.027 1.00 3.13 H new ATOM 0 HG12 ILE A 39 -0.282 8.789 -14.273 1.00 70.23 H new ATOM 0 HG13 ILE A 39 0.594 7.612 -13.314 1.00 70.23 H new ATOM 0 HG21 ILE A 39 1.536 8.304 -11.062 1.00 21.41 H new ATOM 0 HG22 ILE A 39 1.499 10.020 -10.592 1.00 21.41 H new ATOM 0 HG23 ILE A 39 0.004 9.054 -10.554 1.00 21.41 H new ATOM 0 HD11 ILE A 39 -1.821 7.250 -13.155 1.00 2.33 H new ATOM 0 HD12 ILE A 39 -1.153 7.712 -11.571 1.00 2.33 H new ATOM 0 HD13 ILE A 39 -2.042 8.907 -12.545 1.00 2.33 H new ATOM 600 N ARG A 40 1.727 12.300 -12.046 1.00 31.44 N ATOM 601 CA ARG A 40 2.477 13.302 -11.298 1.00 5.03 C ATOM 602 C ARG A 40 1.667 14.586 -11.145 1.00 22.14 C ATOM 603 O ARG A 40 1.728 15.250 -10.111 1.00 24.32 O ATOM 604 CB ARG A 40 3.805 13.603 -11.997 1.00 63.14 C ATOM 605 CG ARG A 40 4.782 14.387 -11.136 1.00 52.15 C ATOM 606 CD ARG A 40 6.222 14.008 -11.443 1.00 72.34 C ATOM 607 NE ARG A 40 7.059 14.024 -10.247 1.00 65.51 N ATOM 608 CZ ARG A 40 8.362 13.767 -10.258 1.00 30.25 C ATOM 609 NH1 ARG A 40 8.974 13.477 -11.397 1.00 53.01 N ATOM 610 NH2 ARG A 40 9.056 13.802 -9.127 1.00 14.14 N ATOM 0 H ARG A 40 2.232 11.897 -12.835 1.00 31.44 H new ATOM 0 HA ARG A 40 2.680 12.901 -10.305 1.00 5.03 H new ATOM 0 HB2 ARG A 40 4.270 12.663 -12.296 1.00 63.14 H new ATOM 0 HB3 ARG A 40 3.606 14.165 -12.910 1.00 63.14 H new ATOM 0 HG2 ARG A 40 4.642 15.455 -11.304 1.00 52.15 H new ATOM 0 HG3 ARG A 40 4.572 14.200 -10.083 1.00 52.15 H new ATOM 0 HD2 ARG A 40 6.248 13.014 -11.890 1.00 72.34 H new ATOM 0 HD3 ARG A 40 6.630 14.700 -12.180 1.00 72.34 H new ATOM 0 HE ARG A 40 6.619 14.245 -9.354 1.00 65.51 H new ATOM 0 HH11 ARG A 40 8.444 13.451 -12.268 1.00 53.01 H new ATOM 0 HH12 ARG A 40 9.975 13.280 -11.402 1.00 53.01 H new ATOM 0 HH21 ARG A 40 8.589 14.026 -8.249 1.00 14.14 H new ATOM 0 HH22 ARG A 40 10.057 13.604 -9.136 1.00 14.14 H new ATOM 624 N MET A 41 0.910 14.928 -12.182 1.00 50.24 N ATOM 625 CA MET A 41 0.086 16.132 -12.163 1.00 21.44 C ATOM 626 C MET A 41 -1.122 15.949 -11.249 1.00 0.21 C ATOM 627 O MET A 41 -1.332 16.727 -10.320 1.00 65.21 O ATOM 628 CB MET A 41 -0.377 16.481 -13.578 1.00 61.31 C ATOM 629 CG MET A 41 -1.062 17.835 -13.676 1.00 10.12 C ATOM 630 SD MET A 41 -0.969 18.542 -15.332 1.00 4.41 S ATOM 631 CE MET A 41 -0.086 20.064 -15.002 1.00 62.11 C ATOM 0 H MET A 41 0.850 14.389 -13.046 1.00 50.24 H new ATOM 0 HA MET A 41 0.691 16.951 -11.775 1.00 21.44 H new ATOM 0 HB2 MET A 41 0.484 16.469 -14.247 1.00 61.31 H new ATOM 0 HB3 MET A 41 -1.063 15.710 -13.928 1.00 61.31 H new ATOM 0 HG2 MET A 41 -2.108 17.730 -13.388 1.00 10.12 H new ATOM 0 HG3 MET A 41 -0.603 18.522 -12.965 1.00 10.12 H new ATOM 0 HE1 MET A 41 0.050 20.615 -15.933 1.00 62.11 H new ATOM 0 HE2 MET A 41 -0.658 20.672 -14.301 1.00 62.11 H new ATOM 0 HE3 MET A 41 0.889 19.833 -14.572 1.00 62.11 H new ATOM 641 N ALA A 42 -1.913 14.917 -11.522 1.00 63.21 N ATOM 642 CA ALA A 42 -3.099 14.632 -10.724 1.00 41.24 C ATOM 643 C ALA A 42 -2.761 14.577 -9.238 1.00 13.42 C ATOM 644 O ALA A 42 -3.596 14.890 -8.390 1.00 31.23 O ATOM 645 CB ALA A 42 -3.735 13.325 -11.172 1.00 52.54 C ATOM 0 H ALA A 42 -1.754 14.264 -12.290 1.00 63.21 H new ATOM 0 HA ALA A 42 -3.813 15.441 -10.877 1.00 41.24 H new ATOM 0 HB1 ALA A 42 -4.620 13.125 -10.567 1.00 52.54 H new ATOM 0 HB2 ALA A 42 -4.022 13.401 -12.221 1.00 52.54 H new ATOM 0 HB3 ALA A 42 -3.020 12.512 -11.049 1.00 52.54 H new ATOM 651 N ASN A 43 -1.532 14.174 -8.931 1.00 11.12 N ATOM 652 CA ASN A 43 -1.085 14.076 -7.546 1.00 21.11 C ATOM 653 C ASN A 43 -0.834 15.460 -6.956 1.00 20.52 C ATOM 654 O ASN A 43 -1.505 15.874 -6.010 1.00 34.52 O ATOM 655 CB ASN A 43 0.190 13.234 -7.459 1.00 15.34 C ATOM 656 CG ASN A 43 0.003 11.841 -8.027 1.00 15.41 C ATOM 657 OD1 ASN A 43 -1.120 11.346 -8.131 1.00 40.23 O ATOM 658 ND2 ASN A 43 1.105 11.201 -8.400 1.00 62.23 N ATOM 0 H ASN A 43 -0.829 13.910 -9.621 1.00 11.12 H new ATOM 0 HA ASN A 43 -1.873 13.592 -6.969 1.00 21.11 H new ATOM 0 HB2 ASN A 43 0.992 13.738 -7.997 1.00 15.34 H new ATOM 0 HB3 ASN A 43 0.503 13.160 -6.417 1.00 15.34 H new ATOM 0 HD21 ASN A 43 1.041 10.261 -8.791 1.00 62.23 H new ATOM 0 HD22 ASN A 43 2.015 11.649 -8.296 1.00 62.23 H new ATOM 665 N VAL A 44 0.136 16.172 -7.521 1.00 73.45 N ATOM 666 CA VAL A 44 0.473 17.511 -7.053 1.00 34.34 C ATOM 667 C VAL A 44 -0.750 18.420 -7.057 1.00 61.32 C ATOM 668 O VAL A 44 -0.889 19.294 -6.201 1.00 1.13 O ATOM 669 CB VAL A 44 1.575 18.148 -7.922 1.00 24.52 C ATOM 670 CG1 VAL A 44 1.103 18.294 -9.361 1.00 23.42 C ATOM 671 CG2 VAL A 44 1.992 19.494 -7.350 1.00 31.00 C ATOM 0 H VAL A 44 0.702 15.844 -8.303 1.00 73.45 H new ATOM 0 HA VAL A 44 0.840 17.406 -6.032 1.00 34.34 H new ATOM 0 HB VAL A 44 2.445 17.491 -7.915 1.00 24.52 H new ATOM 0 HG11 VAL A 44 1.894 18.746 -9.959 1.00 23.42 H new ATOM 0 HG12 VAL A 44 0.858 17.312 -9.765 1.00 23.42 H new ATOM 0 HG13 VAL A 44 0.218 18.930 -9.391 1.00 23.42 H new ATOM 0 HG21 VAL A 44 2.771 19.930 -7.976 1.00 31.00 H new ATOM 0 HG22 VAL A 44 1.131 20.161 -7.325 1.00 31.00 H new ATOM 0 HG23 VAL A 44 2.374 19.357 -6.338 1.00 31.00 H new ATOM 681 N SER A 45 -1.636 18.208 -8.025 1.00 10.23 N ATOM 682 CA SER A 45 -2.847 19.010 -8.142 1.00 50.35 C ATOM 683 C SER A 45 -3.758 18.799 -6.935 1.00 32.53 C ATOM 684 O SER A 45 -4.400 19.734 -6.456 1.00 31.43 O ATOM 685 CB SER A 45 -3.597 18.656 -9.428 1.00 61.10 C ATOM 686 OG SER A 45 -4.743 19.473 -9.592 1.00 51.12 O ATOM 0 H SER A 45 -1.537 17.487 -8.740 1.00 10.23 H new ATOM 0 HA SER A 45 -2.555 20.060 -8.177 1.00 50.35 H new ATOM 0 HB2 SER A 45 -2.934 18.778 -10.285 1.00 61.10 H new ATOM 0 HB3 SER A 45 -3.895 17.608 -9.402 1.00 61.10 H new ATOM 0 HG SER A 45 -5.204 19.228 -10.422 1.00 51.12 H new ATOM 692 N THR A 46 -3.807 17.564 -6.448 1.00 50.44 N ATOM 693 CA THR A 46 -4.639 17.228 -5.299 1.00 12.21 C ATOM 694 C THR A 46 -3.830 17.263 -4.007 1.00 61.11 C ATOM 695 O THR A 46 -4.272 16.764 -2.973 1.00 14.21 O ATOM 696 CB THR A 46 -5.276 15.834 -5.455 1.00 1.12 C ATOM 697 OG1 THR A 46 -4.267 14.865 -5.763 1.00 62.54 O ATOM 698 CG2 THR A 46 -6.331 15.840 -6.550 1.00 71.44 C ATOM 0 H THR A 46 -3.280 16.779 -6.831 1.00 50.44 H new ATOM 0 HA THR A 46 -5.430 17.977 -5.251 1.00 12.21 H new ATOM 0 HB THR A 46 -5.756 15.571 -4.512 1.00 1.12 H new ATOM 0 HG1 THR A 46 -4.078 14.884 -6.724 1.00 62.54 H new ATOM 0 HG21 THR A 46 -6.766 14.845 -6.641 1.00 71.44 H new ATOM 0 HG22 THR A 46 -7.113 16.556 -6.298 1.00 71.44 H new ATOM 0 HG23 THR A 46 -5.871 16.123 -7.497 1.00 71.44 H new ATOM 706 N GLY A 47 -2.644 17.859 -4.073 1.00 12.14 N ATOM 707 CA GLY A 47 -1.792 17.949 -2.901 1.00 2.51 C ATOM 708 C GLY A 47 -1.580 16.605 -2.233 1.00 50.43 C ATOM 709 O GLY A 47 -1.898 16.432 -1.056 1.00 32.03 O ATOM 0 H GLY A 47 -2.257 18.281 -4.917 1.00 12.14 H new ATOM 0 HA2 GLY A 47 -0.826 18.364 -3.189 1.00 2.51 H new ATOM 0 HA3 GLY A 47 -2.236 18.641 -2.185 1.00 2.51 H new ATOM 713 N ARG A 48 -1.046 15.650 -2.986 1.00 13.45 N ATOM 714 CA ARG A 48 -0.795 14.313 -2.462 1.00 4.44 C ATOM 715 C ARG A 48 0.617 13.848 -2.808 1.00 73.11 C ATOM 716 O ARG A 48 0.818 12.717 -3.247 1.00 51.12 O ATOM 717 CB ARG A 48 -1.819 13.323 -3.017 1.00 54.42 C ATOM 718 CG ARG A 48 -2.183 12.212 -2.045 1.00 55.45 C ATOM 719 CD ARG A 48 -3.617 11.744 -2.246 1.00 13.31 C ATOM 720 NE ARG A 48 -4.567 12.549 -1.483 1.00 55.41 N ATOM 721 CZ ARG A 48 -5.885 12.414 -1.577 1.00 45.24 C ATOM 722 NH1 ARG A 48 -6.406 11.509 -2.395 1.00 71.13 N ATOM 723 NH2 ARG A 48 -6.685 13.183 -0.850 1.00 64.13 N ATOM 0 H ARG A 48 -0.778 15.777 -3.962 1.00 13.45 H new ATOM 0 HA ARG A 48 -0.890 14.353 -1.377 1.00 4.44 H new ATOM 0 HB2 ARG A 48 -2.724 13.865 -3.291 1.00 54.42 H new ATOM 0 HB3 ARG A 48 -1.424 12.879 -3.931 1.00 54.42 H new ATOM 0 HG2 ARG A 48 -1.502 11.371 -2.180 1.00 55.45 H new ATOM 0 HG3 ARG A 48 -2.054 12.565 -1.022 1.00 55.45 H new ATOM 0 HD2 ARG A 48 -3.869 11.793 -3.305 1.00 13.31 H new ATOM 0 HD3 ARG A 48 -3.703 10.700 -1.946 1.00 13.31 H new ATOM 0 HE ARG A 48 -4.198 13.253 -0.843 1.00 55.41 H new ATOM 0 HH11 ARG A 48 -5.794 10.914 -2.954 1.00 71.13 H new ATOM 0 HH12 ARG A 48 -7.419 11.408 -2.465 1.00 71.13 H new ATOM 0 HH21 ARG A 48 -6.288 13.879 -0.218 1.00 64.13 H new ATOM 0 HH22 ARG A 48 -7.697 13.079 -0.923 1.00 64.13 H new ATOM 737 N GLU A 49 1.591 14.731 -2.607 1.00 11.34 N ATOM 738 CA GLU A 49 2.983 14.411 -2.899 1.00 51.34 C ATOM 739 C GLU A 49 3.183 14.165 -4.392 1.00 71.12 C ATOM 740 O GLU A 49 2.265 13.768 -5.110 1.00 52.15 O ATOM 741 CB GLU A 49 3.424 13.179 -2.105 1.00 34.12 C ATOM 742 CG GLU A 49 2.977 13.199 -0.654 1.00 25.13 C ATOM 743 CD GLU A 49 3.442 14.440 0.084 1.00 72.23 C ATOM 744 OE1 GLU A 49 4.417 15.072 -0.376 1.00 71.33 O ATOM 745 OE2 GLU A 49 2.832 14.780 1.119 1.00 14.43 O ATOM 0 H GLU A 49 1.441 15.672 -2.244 1.00 11.34 H new ATOM 0 HA GLU A 49 3.595 15.263 -2.603 1.00 51.34 H new ATOM 0 HB2 GLU A 49 3.027 12.285 -2.587 1.00 34.12 H new ATOM 0 HB3 GLU A 49 4.511 13.104 -2.141 1.00 34.12 H new ATOM 0 HG2 GLU A 49 1.889 13.142 -0.612 1.00 25.13 H new ATOM 0 HG3 GLU A 49 3.362 12.314 -0.147 1.00 25.13 H new ATOM 752 N PRO A 50 4.412 14.407 -4.872 1.00 50.44 N ATOM 753 CA PRO A 50 4.762 14.219 -6.283 1.00 71.22 C ATOM 754 C PRO A 50 4.789 12.748 -6.683 1.00 45.53 C ATOM 755 O PRO A 50 4.203 12.359 -7.693 1.00 3.30 O ATOM 756 CB PRO A 50 6.163 14.826 -6.384 1.00 14.14 C ATOM 757 CG PRO A 50 6.722 14.722 -5.008 1.00 10.41 C ATOM 758 CD PRO A 50 5.555 14.881 -4.073 1.00 51.51 C ATOM 0 HA PRO A 50 4.033 14.681 -6.949 1.00 71.22 H new ATOM 0 HB2 PRO A 50 6.778 14.285 -7.103 1.00 14.14 H new ATOM 0 HB3 PRO A 50 6.122 15.863 -6.717 1.00 14.14 H new ATOM 0 HG2 PRO A 50 7.214 13.761 -4.858 1.00 10.41 H new ATOM 0 HG3 PRO A 50 7.471 15.494 -4.832 1.00 10.41 H new ATOM 0 HD2 PRO A 50 5.684 14.291 -3.166 1.00 51.51 H new ATOM 0 HD3 PRO A 50 5.426 15.918 -3.763 1.00 51.51 H new ATOM 766 N GLY A 51 5.471 11.934 -5.884 1.00 42.10 N ATOM 767 CA GLY A 51 5.561 10.515 -6.171 1.00 13.53 C ATOM 768 C GLY A 51 4.397 9.731 -5.596 1.00 75.45 C ATOM 769 O GLY A 51 4.570 8.941 -4.670 1.00 4.24 O ATOM 0 H GLY A 51 5.963 12.232 -5.042 1.00 42.10 H new ATOM 0 HA2 GLY A 51 5.596 10.367 -7.250 1.00 13.53 H new ATOM 0 HA3 GLY A 51 6.494 10.124 -5.765 1.00 13.53 H new ATOM 773 N ASP A 52 3.208 9.953 -6.146 1.00 62.32 N ATOM 774 CA ASP A 52 2.010 9.263 -5.682 1.00 63.10 C ATOM 775 C ASP A 52 1.609 8.158 -6.654 1.00 62.11 C ATOM 776 O ASP A 52 0.924 8.409 -7.646 1.00 65.14 O ATOM 777 CB ASP A 52 0.858 10.254 -5.513 1.00 63.42 C ATOM 778 CG ASP A 52 0.194 10.143 -4.155 1.00 45.22 C ATOM 779 OD1 ASP A 52 0.921 10.062 -3.142 1.00 40.51 O ATOM 780 OD2 ASP A 52 -1.054 10.140 -4.103 1.00 2.40 O ATOM 0 H ASP A 52 3.048 10.605 -6.914 1.00 62.32 H new ATOM 0 HA ASP A 52 2.233 8.809 -4.716 1.00 63.10 H new ATOM 0 HB2 ASP A 52 1.232 11.269 -5.649 1.00 63.42 H new ATOM 0 HB3 ASP A 52 0.116 10.081 -6.292 1.00 63.42 H new ATOM 785 N ILE A 53 2.040 6.935 -6.362 1.00 35.32 N ATOM 786 CA ILE A 53 1.725 5.792 -7.211 1.00 35.43 C ATOM 787 C ILE A 53 0.808 4.811 -6.491 1.00 53.34 C ATOM 788 O ILE A 53 1.234 3.759 -6.015 1.00 13.23 O ATOM 789 CB ILE A 53 3.001 5.054 -7.656 1.00 32.01 C ATOM 790 CG1 ILE A 53 3.935 6.009 -8.402 1.00 12.54 C ATOM 791 CG2 ILE A 53 2.644 3.862 -8.531 1.00 55.23 C ATOM 792 CD1 ILE A 53 3.374 6.499 -9.718 1.00 75.31 C ATOM 0 H ILE A 53 2.608 6.710 -5.545 1.00 35.32 H new ATOM 0 HA ILE A 53 1.215 6.182 -8.092 1.00 35.43 H new ATOM 0 HB ILE A 53 3.520 4.688 -6.770 1.00 32.01 H new ATOM 0 HG12 ILE A 53 4.148 6.868 -7.765 1.00 12.54 H new ATOM 0 HG13 ILE A 53 4.884 5.506 -8.586 1.00 12.54 H new ATOM 0 HG21 ILE A 53 3.556 3.350 -8.838 1.00 55.23 H new ATOM 0 HG22 ILE A 53 2.013 3.174 -7.968 1.00 55.23 H new ATOM 0 HG23 ILE A 53 2.107 4.207 -9.414 1.00 55.23 H new ATOM 0 HD11 ILE A 53 4.090 7.171 -10.191 1.00 75.31 H new ATOM 0 HD12 ILE A 53 3.188 5.648 -10.373 1.00 75.31 H new ATOM 0 HD13 ILE A 53 2.440 7.031 -9.540 1.00 75.31 H new ATOM 804 N PRO A 54 -0.485 5.159 -6.412 1.00 52.15 N ATOM 805 CA PRO A 54 -1.492 4.320 -5.755 1.00 63.40 C ATOM 806 C PRO A 54 -1.783 3.044 -6.536 1.00 2.51 C ATOM 807 O PRO A 54 -2.026 3.085 -7.741 1.00 0.30 O ATOM 808 CB PRO A 54 -2.732 5.217 -5.716 1.00 35.41 C ATOM 809 CG PRO A 54 -2.547 6.168 -6.848 1.00 13.20 C ATOM 810 CD PRO A 54 -1.065 6.398 -6.958 1.00 24.44 C ATOM 0 HA PRO A 54 -1.162 3.983 -4.772 1.00 63.40 H new ATOM 0 HB2 PRO A 54 -3.646 4.635 -5.834 1.00 35.41 H new ATOM 0 HB3 PRO A 54 -2.810 5.744 -4.765 1.00 35.41 H new ATOM 0 HG2 PRO A 54 -2.948 5.755 -7.774 1.00 13.20 H new ATOM 0 HG3 PRO A 54 -3.074 7.104 -6.662 1.00 13.20 H new ATOM 0 HD2 PRO A 54 -0.760 6.563 -7.991 1.00 24.44 H new ATOM 0 HD3 PRO A 54 -0.751 7.273 -6.389 1.00 24.44 H new ATOM 818 N GLU A 55 -1.756 1.911 -5.841 1.00 44.45 N ATOM 819 CA GLU A 55 -2.017 0.622 -6.471 1.00 54.02 C ATOM 820 C GLU A 55 -3.232 -0.055 -5.843 1.00 2.35 C ATOM 821 O GLU A 55 -3.252 -1.273 -5.656 1.00 40.12 O ATOM 822 CB GLU A 55 -0.793 -0.287 -6.350 1.00 12.21 C ATOM 823 CG GLU A 55 -0.500 -0.728 -4.925 1.00 30.54 C ATOM 824 CD GLU A 55 0.853 -0.250 -4.433 1.00 52.14 C ATOM 825 OE1 GLU A 55 1.768 -1.090 -4.308 1.00 4.13 O ATOM 826 OE2 GLU A 55 0.996 0.963 -4.174 1.00 10.51 O ATOM 0 H GLU A 55 -1.556 1.860 -4.842 1.00 44.45 H new ATOM 0 HA GLU A 55 -2.226 0.798 -7.526 1.00 54.02 H new ATOM 0 HB2 GLU A 55 -0.944 -1.170 -6.971 1.00 12.21 H new ATOM 0 HB3 GLU A 55 0.078 0.236 -6.746 1.00 12.21 H new ATOM 0 HG2 GLU A 55 -1.278 -0.347 -4.264 1.00 30.54 H new ATOM 0 HG3 GLU A 55 -0.539 -1.816 -4.870 1.00 30.54 H new ATOM 833 N THR A 56 -4.244 0.741 -5.516 1.00 73.33 N ATOM 834 CA THR A 56 -5.461 0.221 -4.908 1.00 41.24 C ATOM 835 C THR A 56 -6.688 0.995 -5.380 1.00 75.10 C ATOM 836 O THR A 56 -6.672 2.225 -5.442 1.00 25.22 O ATOM 837 CB THR A 56 -5.392 0.283 -3.370 1.00 11.05 C ATOM 838 OG1 THR A 56 -5.549 1.635 -2.927 1.00 63.22 O ATOM 839 CG2 THR A 56 -4.067 -0.270 -2.866 1.00 42.42 C ATOM 0 H THR A 56 -4.245 1.750 -5.663 1.00 73.33 H new ATOM 0 HA THR A 56 -5.549 -0.820 -5.220 1.00 41.24 H new ATOM 0 HB THR A 56 -6.200 -0.327 -2.967 1.00 11.05 H new ATOM 0 HG1 THR A 56 -5.761 1.643 -1.970 1.00 63.22 H new ATOM 0 HG21 THR A 56 -4.041 -0.216 -1.778 1.00 42.42 H new ATOM 0 HG22 THR A 56 -3.963 -1.308 -3.181 1.00 42.42 H new ATOM 0 HG23 THR A 56 -3.247 0.318 -3.278 1.00 42.42 H new ATOM 847 N LEU A 57 -7.748 0.267 -5.714 1.00 62.50 N ATOM 848 CA LEU A 57 -8.983 0.886 -6.181 1.00 41.43 C ATOM 849 C LEU A 57 -9.450 1.968 -5.214 1.00 62.35 C ATOM 850 O LEU A 57 -10.074 2.950 -5.618 1.00 54.20 O ATOM 851 CB LEU A 57 -10.076 -0.172 -6.346 1.00 3.35 C ATOM 852 CG LEU A 57 -10.107 -0.902 -7.689 1.00 75.13 C ATOM 853 CD1 LEU A 57 -10.775 -2.260 -7.545 1.00 1.11 C ATOM 854 CD2 LEU A 57 -10.825 -0.061 -8.737 1.00 23.42 C ATOM 0 H LEU A 57 -7.777 -0.752 -5.670 1.00 62.50 H new ATOM 0 HA LEU A 57 -8.785 1.350 -7.147 1.00 41.43 H new ATOM 0 HB2 LEU A 57 -9.959 -0.913 -5.555 1.00 3.35 H new ATOM 0 HB3 LEU A 57 -11.043 0.307 -6.193 1.00 3.35 H new ATOM 0 HG LEU A 57 -9.080 -1.059 -8.018 1.00 75.13 H new ATOM 0 HD11 LEU A 57 -10.787 -2.764 -8.512 1.00 1.11 H new ATOM 0 HD12 LEU A 57 -10.220 -2.864 -6.828 1.00 1.11 H new ATOM 0 HD13 LEU A 57 -11.798 -2.127 -7.192 1.00 1.11 H new ATOM 0 HD21 LEU A 57 -10.838 -0.596 -9.687 1.00 23.42 H new ATOM 0 HD22 LEU A 57 -11.849 0.128 -8.413 1.00 23.42 H new ATOM 0 HD23 LEU A 57 -10.303 0.888 -8.862 1.00 23.42 H new ATOM 866 N ASP A 58 -9.142 1.785 -3.935 1.00 42.31 N ATOM 867 CA ASP A 58 -9.527 2.747 -2.910 1.00 24.24 C ATOM 868 C ASP A 58 -8.729 4.040 -3.051 1.00 64.40 C ATOM 869 O ASP A 58 -9.299 5.129 -3.099 1.00 25.43 O ATOM 870 CB ASP A 58 -9.315 2.153 -1.516 1.00 23.10 C ATOM 871 CG ASP A 58 -10.105 2.884 -0.449 1.00 45.15 C ATOM 872 OD1 ASP A 58 -11.102 3.551 -0.800 1.00 4.02 O ATOM 873 OD2 ASP A 58 -9.730 2.788 0.738 1.00 31.34 O ATOM 0 H ASP A 58 -8.626 0.978 -3.583 1.00 42.31 H new ATOM 0 HA ASP A 58 -10.584 2.977 -3.042 1.00 24.24 H new ATOM 0 HB2 ASP A 58 -9.606 1.103 -1.524 1.00 23.10 H new ATOM 0 HB3 ASP A 58 -8.254 2.188 -1.267 1.00 23.10 H new ATOM 878 N GLN A 59 -7.408 3.910 -3.116 1.00 41.22 N ATOM 879 CA GLN A 59 -6.533 5.068 -3.250 1.00 12.14 C ATOM 880 C GLN A 59 -6.864 5.858 -4.513 1.00 1.33 C ATOM 881 O GLN A 59 -7.039 7.076 -4.467 1.00 72.43 O ATOM 882 CB GLN A 59 -5.068 4.626 -3.281 1.00 24.30 C ATOM 883 CG GLN A 59 -4.459 4.446 -1.899 1.00 15.03 C ATOM 884 CD GLN A 59 -3.545 3.239 -1.818 1.00 70.44 C ATOM 885 OE1 GLN A 59 -2.691 3.074 -2.822 1.00 62.01 O flip ATOM 886 NE2 GLN A 59 -3.605 2.464 -0.863 1.00 43.44 N flip ATOM 0 H GLN A 59 -6.921 3.015 -3.078 1.00 41.22 H new ATOM 0 HA GLN A 59 -6.693 5.714 -2.387 1.00 12.14 H new ATOM 0 HB2 GLN A 59 -4.992 3.686 -3.828 1.00 24.30 H new ATOM 0 HB3 GLN A 59 -4.486 5.364 -3.833 1.00 24.30 H new ATOM 0 HG2 GLN A 59 -3.897 5.341 -1.634 1.00 15.03 H new ATOM 0 HG3 GLN A 59 -5.258 4.342 -1.165 1.00 15.03 H new ATOM 0 HE21 GLN A 59 -4.277 2.629 -0.113 1.00 43.44 H new ATOM 0 HE22 GLN A 59 -2.983 1.657 -0.822 1.00 43.44 H new ATOM 895 N LEU A 60 -6.948 5.156 -5.638 1.00 71.30 N ATOM 896 CA LEU A 60 -7.258 5.792 -6.913 1.00 52.12 C ATOM 897 C LEU A 60 -8.656 6.401 -6.893 1.00 50.13 C ATOM 898 O LEU A 60 -8.896 7.449 -7.493 1.00 43.43 O ATOM 899 CB LEU A 60 -7.148 4.776 -8.052 1.00 1.10 C ATOM 900 CG LEU A 60 -5.752 4.211 -8.315 1.00 53.03 C ATOM 901 CD1 LEU A 60 -5.783 2.691 -8.320 1.00 64.11 C ATOM 902 CD2 LEU A 60 -5.202 4.739 -9.633 1.00 63.02 C ATOM 0 H LEU A 60 -6.806 4.147 -5.693 1.00 71.30 H new ATOM 0 HA LEU A 60 -6.536 6.592 -7.076 1.00 52.12 H new ATOM 0 HB2 LEU A 60 -7.820 3.945 -7.837 1.00 1.10 H new ATOM 0 HB3 LEU A 60 -7.506 5.247 -8.968 1.00 1.10 H new ATOM 0 HG LEU A 60 -5.092 4.538 -7.511 1.00 53.03 H new ATOM 0 HD11 LEU A 60 -4.780 2.307 -8.509 1.00 64.11 H new ATOM 0 HD12 LEU A 60 -6.133 2.331 -7.353 1.00 64.11 H new ATOM 0 HD13 LEU A 60 -6.458 2.343 -9.102 1.00 64.11 H new ATOM 0 HD21 LEU A 60 -4.208 4.326 -9.804 1.00 63.02 H new ATOM 0 HD22 LEU A 60 -5.863 4.443 -10.448 1.00 63.02 H new ATOM 0 HD23 LEU A 60 -5.141 5.827 -9.592 1.00 63.02 H new ATOM 914 N ARG A 61 -9.574 5.739 -6.197 1.00 43.42 N ATOM 915 CA ARG A 61 -10.948 6.215 -6.097 1.00 61.13 C ATOM 916 C ARG A 61 -10.995 7.622 -5.508 1.00 54.12 C ATOM 917 O ARG A 61 -11.659 8.510 -6.045 1.00 23.43 O ATOM 918 CB ARG A 61 -11.780 5.263 -5.236 1.00 0.11 C ATOM 919 CG ARG A 61 -13.158 5.800 -4.891 1.00 44.15 C ATOM 920 CD ARG A 61 -13.269 6.146 -3.414 1.00 0.22 C ATOM 921 NE ARG A 61 -14.657 6.300 -2.990 1.00 44.44 N ATOM 922 CZ ARG A 61 -15.025 6.465 -1.724 1.00 52.12 C ATOM 923 NH1 ARG A 61 -14.111 6.498 -0.764 1.00 4.40 N ATOM 924 NH2 ARG A 61 -16.310 6.599 -1.417 1.00 21.25 N ATOM 0 H ARG A 61 -9.391 4.871 -5.694 1.00 43.42 H new ATOM 0 HA ARG A 61 -11.368 6.246 -7.102 1.00 61.13 H new ATOM 0 HB2 ARG A 61 -11.890 4.314 -5.761 1.00 0.11 H new ATOM 0 HB3 ARG A 61 -11.239 5.055 -4.313 1.00 0.11 H new ATOM 0 HG2 ARG A 61 -13.364 6.687 -5.490 1.00 44.15 H new ATOM 0 HG3 ARG A 61 -13.914 5.058 -5.150 1.00 44.15 H new ATOM 0 HD2 ARG A 61 -12.794 5.364 -2.822 1.00 0.22 H new ATOM 0 HD3 ARG A 61 -12.725 7.070 -3.216 1.00 0.22 H new ATOM 0 HE ARG A 61 -15.384 6.280 -3.705 1.00 44.44 H new ATOM 0 HH11 ARG A 61 -13.123 6.397 -0.997 1.00 4.40 H new ATOM 0 HH12 ARG A 61 -14.396 6.625 0.207 1.00 4.40 H new ATOM 0 HH21 ARG A 61 -17.015 6.575 -2.153 1.00 21.25 H new ATOM 0 HH22 ARG A 61 -16.592 6.726 -0.445 1.00 21.25 H new ATOM 938 N LEU A 62 -10.286 7.818 -4.402 1.00 24.51 N ATOM 939 CA LEU A 62 -10.246 9.116 -3.738 1.00 74.33 C ATOM 940 C LEU A 62 -9.593 10.165 -4.633 1.00 55.32 C ATOM 941 O LEU A 62 -10.102 11.277 -4.777 1.00 74.11 O ATOM 942 CB LEU A 62 -9.484 9.013 -2.416 1.00 4.43 C ATOM 943 CG LEU A 62 -10.238 9.475 -1.169 1.00 45.44 C ATOM 944 CD1 LEU A 62 -10.572 10.956 -1.266 1.00 25.15 C ATOM 945 CD2 LEU A 62 -11.505 8.653 -0.976 1.00 31.33 C ATOM 0 H LEU A 62 -9.731 7.094 -3.946 1.00 24.51 H new ATOM 0 HA LEU A 62 -11.272 9.424 -3.535 1.00 74.33 H new ATOM 0 HB2 LEU A 62 -9.186 7.975 -2.272 1.00 4.43 H new ATOM 0 HB3 LEU A 62 -8.569 9.599 -2.501 1.00 4.43 H new ATOM 0 HG LEU A 62 -9.595 9.324 -0.302 1.00 45.44 H new ATOM 0 HD11 LEU A 62 -11.109 11.267 -0.370 1.00 25.15 H new ATOM 0 HD12 LEU A 62 -9.651 11.532 -1.356 1.00 25.15 H new ATOM 0 HD13 LEU A 62 -11.196 11.132 -2.142 1.00 25.15 H new ATOM 0 HD21 LEU A 62 -12.029 8.996 -0.084 1.00 31.33 H new ATOM 0 HD22 LEU A 62 -12.152 8.772 -1.845 1.00 31.33 H new ATOM 0 HD23 LEU A 62 -11.242 7.601 -0.861 1.00 31.33 H new ATOM 957 N VAL A 63 -8.465 9.803 -5.235 1.00 11.14 N ATOM 958 CA VAL A 63 -7.744 10.710 -6.119 1.00 55.14 C ATOM 959 C VAL A 63 -8.621 11.152 -7.287 1.00 32.53 C ATOM 960 O VAL A 63 -8.729 12.343 -7.577 1.00 74.14 O ATOM 961 CB VAL A 63 -6.463 10.057 -6.672 1.00 10.12 C ATOM 962 CG1 VAL A 63 -5.734 11.014 -7.602 1.00 62.43 C ATOM 963 CG2 VAL A 63 -5.558 9.614 -5.532 1.00 72.00 C ATOM 0 H VAL A 63 -8.030 8.887 -5.126 1.00 11.14 H new ATOM 0 HA VAL A 63 -7.470 11.581 -5.523 1.00 55.14 H new ATOM 0 HB VAL A 63 -6.744 9.175 -7.247 1.00 10.12 H new ATOM 0 HG11 VAL A 63 -4.832 10.535 -7.983 1.00 62.43 H new ATOM 0 HG12 VAL A 63 -6.385 11.277 -8.436 1.00 62.43 H new ATOM 0 HG13 VAL A 63 -5.462 11.917 -7.055 1.00 62.43 H new ATOM 0 HG21 VAL A 63 -4.658 9.155 -5.940 1.00 72.00 H new ATOM 0 HG22 VAL A 63 -5.283 10.479 -4.929 1.00 72.00 H new ATOM 0 HG23 VAL A 63 -6.084 8.890 -4.910 1.00 72.00 H new ATOM 973 N ILE A 64 -9.243 10.184 -7.951 1.00 62.43 N ATOM 974 CA ILE A 64 -10.111 10.474 -9.085 1.00 34.03 C ATOM 975 C ILE A 64 -11.274 11.369 -8.673 1.00 13.12 C ATOM 976 O ILE A 64 -11.703 12.237 -9.435 1.00 23.42 O ATOM 977 CB ILE A 64 -10.670 9.182 -9.711 1.00 21.35 C ATOM 978 CG1 ILE A 64 -9.526 8.289 -10.197 1.00 24.33 C ATOM 979 CG2 ILE A 64 -11.613 9.513 -10.857 1.00 33.01 C ATOM 980 CD1 ILE A 64 -9.865 6.814 -10.187 1.00 32.24 C ATOM 0 H ILE A 64 -9.162 9.193 -7.723 1.00 62.43 H new ATOM 0 HA ILE A 64 -9.501 10.993 -9.824 1.00 34.03 H new ATOM 0 HB ILE A 64 -11.231 8.641 -8.950 1.00 21.35 H new ATOM 0 HG12 ILE A 64 -9.251 8.584 -11.210 1.00 24.33 H new ATOM 0 HG13 ILE A 64 -8.652 8.457 -9.568 1.00 24.33 H new ATOM 0 HG21 ILE A 64 -11.999 8.590 -11.289 1.00 33.01 H new ATOM 0 HG22 ILE A 64 -12.442 10.114 -10.484 1.00 33.01 H new ATOM 0 HG23 ILE A 64 -11.074 10.073 -11.621 1.00 33.01 H new ATOM 0 HD11 ILE A 64 -9.009 6.241 -10.543 1.00 32.24 H new ATOM 0 HD12 ILE A 64 -10.111 6.504 -9.171 1.00 32.24 H new ATOM 0 HD13 ILE A 64 -10.719 6.633 -10.839 1.00 32.24 H new ATOM 992 N CYS A 65 -11.779 11.155 -7.464 1.00 5.41 N ATOM 993 CA CYS A 65 -12.893 11.943 -6.949 1.00 11.40 C ATOM 994 C CYS A 65 -12.533 13.424 -6.900 1.00 43.23 C ATOM 995 O CYS A 65 -13.276 14.271 -7.397 1.00 15.23 O ATOM 996 CB CYS A 65 -13.289 11.455 -5.555 1.00 63.12 C ATOM 997 SG CYS A 65 -14.555 12.467 -4.751 1.00 1.34 S ATOM 0 H CYS A 65 -11.435 10.442 -6.821 1.00 5.41 H new ATOM 0 HA CYS A 65 -13.739 11.815 -7.624 1.00 11.40 H new ATOM 0 HB2 CYS A 65 -13.652 10.430 -5.630 1.00 63.12 H new ATOM 0 HB3 CYS A 65 -12.401 11.433 -4.923 1.00 63.12 H new ATOM 0 HG CYS A 65 -14.825 11.974 -3.579 1.00 1.34 H new ATOM 1003 N ASP A 66 -11.391 13.730 -6.295 1.00 13.44 N ATOM 1004 CA ASP A 66 -10.932 15.110 -6.179 1.00 54.51 C ATOM 1005 C ASP A 66 -10.702 15.722 -7.557 1.00 74.53 C ATOM 1006 O ASP A 66 -11.194 16.812 -7.854 1.00 74.15 O ATOM 1007 CB ASP A 66 -9.643 15.173 -5.357 1.00 72.45 C ATOM 1008 CG ASP A 66 -9.576 16.410 -4.483 1.00 72.22 C ATOM 1009 OD1 ASP A 66 -9.615 16.264 -3.243 1.00 41.33 O ATOM 1010 OD2 ASP A 66 -9.483 17.525 -5.039 1.00 25.42 O ATOM 0 H ASP A 66 -10.766 13.041 -5.877 1.00 13.44 H new ATOM 0 HA ASP A 66 -11.706 15.684 -5.670 1.00 54.51 H new ATOM 0 HB2 ASP A 66 -9.571 14.284 -4.730 1.00 72.45 H new ATOM 0 HB3 ASP A 66 -8.785 15.159 -6.029 1.00 72.45 H new ATOM 1015 N LEU A 67 -9.949 15.017 -8.395 1.00 62.33 N ATOM 1016 CA LEU A 67 -9.653 15.493 -9.742 1.00 12.21 C ATOM 1017 C LEU A 67 -10.935 15.842 -10.491 1.00 22.12 C ATOM 1018 O LEU A 67 -10.999 16.849 -11.195 1.00 21.31 O ATOM 1019 CB LEU A 67 -8.869 14.432 -10.517 1.00 23.22 C ATOM 1020 CG LEU A 67 -7.492 14.072 -9.957 1.00 70.42 C ATOM 1021 CD1 LEU A 67 -6.982 12.784 -10.581 1.00 14.41 C ATOM 1022 CD2 LEU A 67 -6.507 15.209 -10.193 1.00 42.41 C ATOM 0 H LEU A 67 -9.533 14.115 -8.166 1.00 62.33 H new ATOM 0 HA LEU A 67 -9.047 16.395 -9.657 1.00 12.21 H new ATOM 0 HB2 LEU A 67 -9.470 13.524 -10.560 1.00 23.22 H new ATOM 0 HB3 LEU A 67 -8.743 14.779 -11.542 1.00 23.22 H new ATOM 0 HG LEU A 67 -7.587 13.917 -8.882 1.00 70.42 H new ATOM 0 HD11 LEU A 67 -6.001 12.544 -10.170 1.00 14.41 H new ATOM 0 HD12 LEU A 67 -7.676 11.973 -10.360 1.00 14.41 H new ATOM 0 HD13 LEU A 67 -6.902 12.910 -11.661 1.00 14.41 H new ATOM 0 HD21 LEU A 67 -5.532 14.936 -9.788 1.00 42.41 H new ATOM 0 HD22 LEU A 67 -6.416 15.396 -11.263 1.00 42.41 H new ATOM 0 HD23 LEU A 67 -6.866 16.111 -9.697 1.00 42.41 H new ATOM 1034 N GLN A 68 -11.954 15.003 -10.332 1.00 75.25 N ATOM 1035 CA GLN A 68 -13.235 15.225 -10.993 1.00 31.33 C ATOM 1036 C GLN A 68 -13.856 16.544 -10.546 1.00 53.33 C ATOM 1037 O GLN A 68 -14.288 17.348 -11.371 1.00 54.14 O ATOM 1038 CB GLN A 68 -14.192 14.070 -10.696 1.00 1.54 C ATOM 1039 CG GLN A 68 -14.194 12.990 -11.767 1.00 10.15 C ATOM 1040 CD GLN A 68 -14.899 13.427 -13.036 1.00 3.32 C ATOM 1041 OE1 GLN A 68 -14.404 14.280 -13.772 1.00 42.52 O ATOM 1042 NE2 GLN A 68 -16.062 12.843 -13.297 1.00 12.40 N ATOM 0 H GLN A 68 -11.918 14.165 -9.752 1.00 75.25 H new ATOM 0 HA GLN A 68 -13.058 15.274 -12.067 1.00 31.33 H new ATOM 0 HB2 GLN A 68 -13.921 13.622 -9.740 1.00 1.54 H new ATOM 0 HB3 GLN A 68 -15.202 14.465 -10.588 1.00 1.54 H new ATOM 0 HG2 GLN A 68 -13.166 12.716 -12.003 1.00 10.15 H new ATOM 0 HG3 GLN A 68 -14.680 12.096 -11.375 1.00 10.15 H new ATOM 0 HE21 GLN A 68 -16.435 12.140 -12.658 1.00 12.40 H new ATOM 0 HE22 GLN A 68 -16.583 13.097 -14.136 1.00 12.40 H new ATOM 1051 N GLU A 69 -13.900 16.758 -9.235 1.00 72.32 N ATOM 1052 CA GLU A 69 -14.470 17.980 -8.679 1.00 41.32 C ATOM 1053 C GLU A 69 -13.826 19.214 -9.304 1.00 64.33 C ATOM 1054 O GLU A 69 -14.507 20.186 -9.628 1.00 43.23 O ATOM 1055 CB GLU A 69 -14.289 18.008 -7.160 1.00 61.52 C ATOM 1056 CG GLU A 69 -15.598 17.962 -6.390 1.00 34.05 C ATOM 1057 CD GLU A 69 -15.470 18.529 -4.989 1.00 40.42 C ATOM 1058 OE1 GLU A 69 -15.805 17.809 -4.026 1.00 43.32 O ATOM 1059 OE2 GLU A 69 -15.038 19.692 -4.857 1.00 71.42 O ATOM 0 H GLU A 69 -13.548 16.102 -8.538 1.00 72.32 H new ATOM 0 HA GLU A 69 -15.535 17.992 -8.910 1.00 41.32 H new ATOM 0 HB2 GLU A 69 -13.671 17.161 -6.861 1.00 61.52 H new ATOM 0 HB3 GLU A 69 -13.746 18.912 -6.884 1.00 61.52 H new ATOM 0 HG2 GLU A 69 -16.357 18.522 -6.937 1.00 34.05 H new ATOM 0 HG3 GLU A 69 -15.944 16.930 -6.330 1.00 34.05 H new ATOM 1066 N ARG A 70 -12.508 19.167 -9.468 1.00 20.13 N ATOM 1067 CA ARG A 70 -11.771 20.281 -10.051 1.00 72.42 C ATOM 1068 C ARG A 70 -12.100 20.435 -11.533 1.00 62.24 C ATOM 1069 O ARG A 70 -12.174 21.551 -12.049 1.00 52.31 O ATOM 1070 CB ARG A 70 -10.266 20.074 -9.871 1.00 71.11 C ATOM 1071 CG ARG A 70 -9.689 20.804 -8.669 1.00 54.31 C ATOM 1072 CD ARG A 70 -8.213 21.116 -8.861 1.00 70.34 C ATOM 1073 NE ARG A 70 -7.717 22.052 -7.856 1.00 32.01 N ATOM 1074 CZ ARG A 70 -6.495 22.574 -7.879 1.00 13.40 C ATOM 1075 NH1 ARG A 70 -5.651 22.254 -8.850 1.00 55.54 N ATOM 1076 NH2 ARG A 70 -6.116 23.419 -6.929 1.00 21.44 N ATOM 0 H ARG A 70 -11.929 18.369 -9.205 1.00 20.13 H new ATOM 0 HA ARG A 70 -12.070 21.192 -9.533 1.00 72.42 H new ATOM 0 HB2 ARG A 70 -10.064 19.008 -9.769 1.00 71.11 H new ATOM 0 HB3 ARG A 70 -9.752 20.411 -10.771 1.00 71.11 H new ATOM 0 HG2 ARG A 70 -10.239 21.731 -8.506 1.00 54.31 H new ATOM 0 HG3 ARG A 70 -9.820 20.194 -7.775 1.00 54.31 H new ATOM 0 HD2 ARG A 70 -7.637 20.192 -8.811 1.00 70.34 H new ATOM 0 HD3 ARG A 70 -8.057 21.535 -9.855 1.00 70.34 H new ATOM 0 HE ARG A 70 -8.342 22.320 -7.096 1.00 32.01 H new ATOM 0 HH11 ARG A 70 -5.939 21.605 -9.583 1.00 55.54 H new ATOM 0 HH12 ARG A 70 -4.714 22.657 -8.864 1.00 55.54 H new ATOM 0 HH21 ARG A 70 -6.763 23.668 -6.181 1.00 21.44 H new ATOM 0 HH22 ARG A 70 -5.178 23.819 -6.947 1.00 21.44 H new ATOM 1090 N ARG A 71 -12.298 19.309 -12.210 1.00 62.35 N ATOM 1091 CA ARG A 71 -12.618 19.319 -13.632 1.00 61.24 C ATOM 1092 C ARG A 71 -13.907 20.093 -13.894 1.00 42.21 C ATOM 1093 O ARG A 71 -14.011 20.832 -14.872 1.00 34.14 O ATOM 1094 CB ARG A 71 -12.754 17.888 -14.157 1.00 64.42 C ATOM 1095 CG ARG A 71 -13.328 17.807 -15.562 1.00 3.13 C ATOM 1096 CD ARG A 71 -12.506 18.624 -16.547 1.00 45.45 C ATOM 1097 NE ARG A 71 -12.667 18.149 -17.919 1.00 62.15 N ATOM 1098 CZ ARG A 71 -13.790 18.283 -18.616 1.00 20.32 C ATOM 1099 NH1 ARG A 71 -14.845 18.874 -18.072 1.00 34.21 N ATOM 1100 NH2 ARG A 71 -13.859 17.826 -19.859 1.00 32.12 N ATOM 0 H ARG A 71 -12.242 18.378 -11.797 1.00 62.35 H new ATOM 0 HA ARG A 71 -11.803 19.816 -14.158 1.00 61.24 H new ATOM 0 HB2 ARG A 71 -11.774 17.411 -14.146 1.00 64.42 H new ATOM 0 HB3 ARG A 71 -13.392 17.321 -13.480 1.00 64.42 H new ATOM 0 HG2 ARG A 71 -13.357 16.766 -15.885 1.00 3.13 H new ATOM 0 HG3 ARG A 71 -14.357 18.168 -15.557 1.00 3.13 H new ATOM 0 HD2 ARG A 71 -12.805 19.671 -16.488 1.00 45.45 H new ATOM 0 HD3 ARG A 71 -11.453 18.577 -16.268 1.00 45.45 H new ATOM 0 HE ARG A 71 -11.874 17.689 -18.366 1.00 62.15 H new ATOM 0 HH11 ARG A 71 -14.795 19.227 -17.116 1.00 34.21 H new ATOM 0 HH12 ARG A 71 -15.706 18.976 -18.609 1.00 34.21 H new ATOM 0 HH21 ARG A 71 -13.049 17.371 -20.281 1.00 32.12 H new ATOM 0 HH22 ARG A 71 -14.722 17.929 -20.393 1.00 32.12 H new ATOM 1114 N GLU A 72 -14.887 19.916 -13.012 1.00 14.41 N ATOM 1115 CA GLU A 72 -16.169 20.596 -13.150 1.00 62.21 C ATOM 1116 C GLU A 72 -16.035 22.081 -12.827 1.00 33.11 C ATOM 1117 O GLU A 72 -16.352 22.939 -13.651 1.00 34.41 O ATOM 1118 CB GLU A 72 -17.212 19.956 -12.232 1.00 43.14 C ATOM 1119 CG GLU A 72 -18.644 20.185 -12.684 1.00 54.25 C ATOM 1120 CD GLU A 72 -19.056 19.256 -13.810 1.00 10.51 C ATOM 1121 OE1 GLU A 72 -18.558 18.110 -13.845 1.00 23.40 O ATOM 1122 OE2 GLU A 72 -19.874 19.673 -14.655 1.00 45.44 O ATOM 0 H GLU A 72 -14.817 19.308 -12.196 1.00 14.41 H new ATOM 0 HA GLU A 72 -16.495 20.495 -14.185 1.00 62.21 H new ATOM 0 HB2 GLU A 72 -17.025 18.884 -12.176 1.00 43.14 H new ATOM 0 HB3 GLU A 72 -17.090 20.354 -11.225 1.00 43.14 H new ATOM 0 HG2 GLU A 72 -19.315 20.043 -11.837 1.00 54.25 H new ATOM 0 HG3 GLU A 72 -18.757 21.219 -13.011 1.00 54.25 H new ATOM 1129 N LYS A 73 -15.561 22.378 -11.622 1.00 64.44 N ATOM 1130 CA LYS A 73 -15.383 23.759 -11.188 1.00 32.33 C ATOM 1131 C LYS A 73 -14.518 24.533 -12.178 1.00 5.41 C ATOM 1132 O LYS A 73 -14.771 25.706 -12.453 1.00 74.20 O ATOM 1133 CB LYS A 73 -14.745 23.800 -9.797 1.00 44.34 C ATOM 1134 CG LYS A 73 -15.730 24.119 -8.686 1.00 43.22 C ATOM 1135 CD LYS A 73 -15.324 25.367 -7.922 1.00 73.45 C ATOM 1136 CE LYS A 73 -15.654 26.631 -8.704 1.00 24.21 C ATOM 1137 NZ LYS A 73 -16.300 27.661 -7.844 1.00 61.30 N ATOM 0 H LYS A 73 -15.293 21.680 -10.928 1.00 64.44 H new ATOM 0 HA LYS A 73 -16.365 24.229 -11.145 1.00 32.33 H new ATOM 0 HB2 LYS A 73 -14.278 22.837 -9.592 1.00 44.34 H new ATOM 0 HB3 LYS A 73 -13.951 24.546 -9.793 1.00 44.34 H new ATOM 0 HG2 LYS A 73 -16.725 24.258 -9.109 1.00 43.22 H new ATOM 0 HG3 LYS A 73 -15.791 23.275 -7.999 1.00 43.22 H new ATOM 0 HD2 LYS A 73 -15.836 25.389 -6.960 1.00 73.45 H new ATOM 0 HD3 LYS A 73 -14.255 25.336 -7.713 1.00 73.45 H new ATOM 0 HE2 LYS A 73 -14.741 27.040 -9.137 1.00 24.21 H new ATOM 0 HE3 LYS A 73 -16.316 26.383 -9.533 1.00 24.21 H new ATOM 0 HZ1 LYS A 73 -16.509 28.506 -8.412 1.00 61.30 H new ATOM 0 HZ2 LYS A 73 -17.185 27.280 -7.451 1.00 61.30 H new ATOM 0 HZ3 LYS A 73 -15.658 27.917 -7.067 1.00 61.30 H new ATOM 1151 N PHE A 74 -13.497 23.869 -12.711 1.00 44.12 N ATOM 1152 CA PHE A 74 -12.595 24.495 -13.671 1.00 41.43 C ATOM 1153 C PHE A 74 -13.223 24.534 -15.061 1.00 43.41 C ATOM 1154 O PHE A 74 -12.883 25.382 -15.884 1.00 61.24 O ATOM 1155 CB PHE A 74 -11.266 23.739 -13.721 1.00 41.03 C ATOM 1156 CG PHE A 74 -10.137 24.551 -14.288 1.00 1.34 C ATOM 1157 CD1 PHE A 74 -9.176 25.101 -13.455 1.00 73.20 C ATOM 1158 CD2 PHE A 74 -10.036 24.764 -15.653 1.00 3.02 C ATOM 1159 CE1 PHE A 74 -8.134 25.848 -13.973 1.00 44.31 C ATOM 1160 CE2 PHE A 74 -8.998 25.510 -16.177 1.00 11.10 C ATOM 1161 CZ PHE A 74 -8.046 26.053 -15.336 1.00 70.21 C ATOM 0 H PHE A 74 -13.274 22.898 -12.494 1.00 44.12 H new ATOM 0 HA PHE A 74 -12.411 25.519 -13.345 1.00 41.43 H new ATOM 0 HB2 PHE A 74 -11.002 23.417 -12.714 1.00 41.03 H new ATOM 0 HB3 PHE A 74 -11.392 22.838 -14.321 1.00 41.03 H new ATOM 0 HD1 PHE A 74 -9.242 24.944 -12.388 1.00 73.20 H new ATOM 0 HD2 PHE A 74 -10.777 24.342 -16.315 1.00 3.02 H new ATOM 0 HE1 PHE A 74 -7.391 26.270 -13.313 1.00 44.31 H new ATOM 0 HE2 PHE A 74 -8.931 25.669 -17.243 1.00 11.10 H new ATOM 0 HZ PHE A 74 -7.234 26.637 -15.744 1.00 70.21 H new ATOM 1171 N GLY A 75 -14.143 23.607 -15.315 1.00 34.51 N ATOM 1172 CA GLY A 75 -14.804 23.553 -16.606 1.00 11.24 C ATOM 1173 C GLY A 75 -14.126 22.592 -17.563 1.00 51.45 C ATOM 1174 O GLY A 75 -13.265 21.809 -17.163 1.00 41.03 O ATOM 0 H GLY A 75 -14.442 22.893 -14.650 1.00 34.51 H new ATOM 0 HA2 GLY A 75 -15.842 23.251 -16.467 1.00 11.24 H new ATOM 0 HA3 GLY A 75 -14.818 24.550 -17.046 1.00 11.24 H new ATOM 1178 N SER A 76 -14.518 22.650 -18.833 1.00 3.00 N ATOM 1179 CA SER A 76 -13.946 21.774 -19.849 1.00 51.23 C ATOM 1180 C SER A 76 -12.482 22.117 -20.101 1.00 53.10 C ATOM 1181 O SER A 76 -12.102 23.288 -20.124 1.00 2.12 O ATOM 1182 CB SER A 76 -14.739 21.887 -21.153 1.00 3.31 C ATOM 1183 OG SER A 76 -15.501 20.715 -21.389 1.00 43.21 O ATOM 0 H SER A 76 -15.228 23.294 -19.182 1.00 3.00 H new ATOM 0 HA SER A 76 -14.003 20.749 -19.483 1.00 51.23 H new ATOM 0 HB2 SER A 76 -15.401 22.752 -21.106 1.00 3.31 H new ATOM 0 HB3 SER A 76 -14.055 22.054 -21.985 1.00 3.31 H new ATOM 0 HG SER A 76 -16.000 20.812 -22.227 1.00 43.21 H new ATOM 1189 N SER A 77 -11.663 21.087 -20.290 1.00 43.13 N ATOM 1190 CA SER A 77 -10.238 21.278 -20.536 1.00 43.12 C ATOM 1191 C SER A 77 -9.560 19.950 -20.859 1.00 40.44 C ATOM 1192 O SER A 77 -9.570 19.021 -20.050 1.00 75.15 O ATOM 1193 CB SER A 77 -9.571 21.921 -19.320 1.00 24.43 C ATOM 1194 OG SER A 77 -8.260 21.418 -19.131 1.00 20.21 O ATOM 0 H SER A 77 -11.962 20.112 -20.277 1.00 43.13 H new ATOM 0 HA SER A 77 -10.128 21.941 -21.394 1.00 43.12 H new ATOM 0 HB2 SER A 77 -9.533 23.002 -19.452 1.00 24.43 H new ATOM 0 HB3 SER A 77 -10.169 21.729 -18.429 1.00 24.43 H new ATOM 0 HG SER A 77 -7.798 21.954 -18.453 1.00 20.21 H new ATOM 1200 N LYS A 78 -8.973 19.866 -22.048 1.00 22.52 N ATOM 1201 CA LYS A 78 -8.288 18.654 -22.480 1.00 64.20 C ATOM 1202 C LYS A 78 -7.207 18.254 -21.481 1.00 41.10 C ATOM 1203 O LYS A 78 -6.834 17.085 -21.392 1.00 14.23 O ATOM 1204 CB LYS A 78 -7.668 18.860 -23.864 1.00 31.33 C ATOM 1205 CG LYS A 78 -8.355 18.068 -24.962 1.00 44.22 C ATOM 1206 CD LYS A 78 -7.543 16.847 -25.360 1.00 34.13 C ATOM 1207 CE LYS A 78 -6.741 17.100 -26.628 1.00 55.10 C ATOM 1208 NZ LYS A 78 -5.306 16.745 -26.457 1.00 2.45 N ATOM 0 H LYS A 78 -8.958 20.624 -22.730 1.00 22.52 H new ATOM 0 HA LYS A 78 -9.023 17.851 -22.534 1.00 64.20 H new ATOM 0 HB2 LYS A 78 -7.704 19.920 -24.115 1.00 31.33 H new ATOM 0 HB3 LYS A 78 -6.616 18.577 -23.827 1.00 31.33 H new ATOM 0 HG2 LYS A 78 -9.342 17.755 -24.623 1.00 44.22 H new ATOM 0 HG3 LYS A 78 -8.505 18.706 -25.833 1.00 44.22 H new ATOM 0 HD2 LYS A 78 -6.867 16.578 -24.548 1.00 34.13 H new ATOM 0 HD3 LYS A 78 -8.210 15.999 -25.513 1.00 34.13 H new ATOM 0 HE2 LYS A 78 -7.164 16.518 -27.447 1.00 55.10 H new ATOM 0 HE3 LYS A 78 -6.824 18.150 -26.907 1.00 55.10 H new ATOM 0 HZ1 LYS A 78 -4.794 16.932 -27.343 1.00 2.45 H new ATOM 0 HZ2 LYS A 78 -4.895 17.318 -25.692 1.00 2.45 H new ATOM 0 HZ3 LYS A 78 -5.224 15.737 -26.216 1.00 2.45 H new ATOM 1222 N GLU A 79 -6.709 19.232 -20.731 1.00 71.55 N ATOM 1223 CA GLU A 79 -5.671 18.980 -19.739 1.00 65.13 C ATOM 1224 C GLU A 79 -6.225 18.179 -18.564 1.00 21.24 C ATOM 1225 O GLU A 79 -5.781 17.061 -18.297 1.00 73.41 O ATOM 1226 CB GLU A 79 -5.082 20.301 -19.236 1.00 41.34 C ATOM 1227 CG GLU A 79 -3.648 20.535 -19.678 1.00 14.34 C ATOM 1228 CD GLU A 79 -3.558 21.283 -20.995 1.00 30.24 C ATOM 1229 OE1 GLU A 79 -4.198 20.841 -21.973 1.00 23.31 O ATOM 1230 OE2 GLU A 79 -2.848 22.308 -21.048 1.00 24.41 O ATOM 0 H GLU A 79 -7.008 20.205 -20.792 1.00 71.55 H new ATOM 0 HA GLU A 79 -4.883 18.397 -20.216 1.00 65.13 H new ATOM 0 HB2 GLU A 79 -5.702 21.124 -19.591 1.00 41.34 H new ATOM 0 HB3 GLU A 79 -5.125 20.317 -18.147 1.00 41.34 H new ATOM 0 HG2 GLU A 79 -3.122 21.099 -18.908 1.00 14.34 H new ATOM 0 HG3 GLU A 79 -3.140 19.575 -19.774 1.00 14.34 H new ATOM 1237 N ILE A 80 -7.196 18.758 -17.866 1.00 24.02 N ATOM 1238 CA ILE A 80 -7.811 18.098 -16.720 1.00 12.14 C ATOM 1239 C ILE A 80 -8.536 16.826 -17.144 1.00 44.34 C ATOM 1240 O ILE A 80 -8.461 15.800 -16.466 1.00 30.13 O ATOM 1241 CB ILE A 80 -8.805 19.028 -16.001 1.00 42.31 C ATOM 1242 CG1 ILE A 80 -8.127 20.350 -15.635 1.00 10.30 C ATOM 1243 CG2 ILE A 80 -9.361 18.350 -14.759 1.00 4.53 C ATOM 1244 CD1 ILE A 80 -9.083 21.390 -15.096 1.00 72.02 C ATOM 0 H ILE A 80 -7.574 19.682 -18.074 1.00 24.02 H new ATOM 0 HA ILE A 80 -7.005 17.842 -16.032 1.00 12.14 H new ATOM 0 HB ILE A 80 -9.634 19.241 -16.676 1.00 42.31 H new ATOM 0 HG12 ILE A 80 -7.354 20.159 -14.891 1.00 10.30 H new ATOM 0 HG13 ILE A 80 -7.628 20.750 -16.518 1.00 10.30 H new ATOM 0 HG21 ILE A 80 -10.062 19.020 -14.262 1.00 4.53 H new ATOM 0 HG22 ILE A 80 -9.876 17.433 -15.045 1.00 4.53 H new ATOM 0 HG23 ILE A 80 -8.544 18.110 -14.079 1.00 4.53 H new ATOM 0 HD11 ILE A 80 -8.533 22.301 -14.858 1.00 72.02 H new ATOM 0 HD12 ILE A 80 -9.842 21.610 -15.847 1.00 72.02 H new ATOM 0 HD13 ILE A 80 -9.564 21.010 -14.195 1.00 72.02 H new ATOM 1256 N ASP A 81 -9.240 16.899 -18.268 1.00 12.02 N ATOM 1257 CA ASP A 81 -9.978 15.751 -18.785 1.00 60.41 C ATOM 1258 C ASP A 81 -9.053 14.555 -18.984 1.00 32.10 C ATOM 1259 O ASP A 81 -9.375 13.437 -18.585 1.00 30.45 O ATOM 1260 CB ASP A 81 -10.660 16.110 -20.106 1.00 63.12 C ATOM 1261 CG ASP A 81 -11.849 15.218 -20.405 1.00 24.24 C ATOM 1262 OD1 ASP A 81 -12.690 15.609 -21.241 1.00 0.21 O ATOM 1263 OD2 ASP A 81 -11.937 14.128 -19.802 1.00 61.11 O ATOM 0 H ASP A 81 -9.316 17.741 -18.839 1.00 12.02 H new ATOM 0 HA ASP A 81 -10.739 15.480 -18.054 1.00 60.41 H new ATOM 0 HB2 ASP A 81 -10.988 17.149 -20.071 1.00 63.12 H new ATOM 0 HB3 ASP A 81 -9.937 16.031 -20.918 1.00 63.12 H new ATOM 1268 N MET A 82 -7.904 14.800 -19.606 1.00 41.52 N ATOM 1269 CA MET A 82 -6.933 13.742 -19.859 1.00 0.41 C ATOM 1270 C MET A 82 -6.452 13.121 -18.551 1.00 14.02 C ATOM 1271 O MET A 82 -6.459 11.900 -18.393 1.00 70.41 O ATOM 1272 CB MET A 82 -5.741 14.291 -20.644 1.00 11.11 C ATOM 1273 CG MET A 82 -4.795 13.213 -21.147 1.00 1.04 C ATOM 1274 SD MET A 82 -4.724 13.134 -22.947 1.00 63.20 S ATOM 1275 CE MET A 82 -5.938 11.860 -23.278 1.00 62.32 C ATOM 0 H MET A 82 -7.623 15.721 -19.944 1.00 41.52 H new ATOM 0 HA MET A 82 -7.423 12.968 -20.450 1.00 0.41 H new ATOM 0 HB2 MET A 82 -6.110 14.865 -21.494 1.00 11.11 H new ATOM 0 HB3 MET A 82 -5.186 14.982 -20.010 1.00 11.11 H new ATOM 0 HG2 MET A 82 -3.795 13.401 -20.756 1.00 1.04 H new ATOM 0 HG3 MET A 82 -5.113 12.246 -20.757 1.00 1.04 H new ATOM 0 HE1 MET A 82 -6.009 11.696 -24.353 1.00 62.32 H new ATOM 0 HE2 MET A 82 -5.636 10.934 -22.789 1.00 62.32 H new ATOM 0 HE3 MET A 82 -6.909 12.174 -22.894 1.00 62.32 H new ATOM 1285 N ALA A 83 -6.035 13.969 -17.617 1.00 61.01 N ATOM 1286 CA ALA A 83 -5.553 13.503 -16.323 1.00 63.53 C ATOM 1287 C ALA A 83 -6.552 12.552 -15.675 1.00 2.24 C ATOM 1288 O ALA A 83 -6.166 11.576 -15.030 1.00 22.52 O ATOM 1289 CB ALA A 83 -5.276 14.686 -15.406 1.00 23.31 C ATOM 0 H ALA A 83 -6.021 14.982 -17.732 1.00 61.01 H new ATOM 0 HA ALA A 83 -4.624 12.957 -16.484 1.00 63.53 H new ATOM 0 HB1 ALA A 83 -4.917 14.323 -14.443 1.00 23.31 H new ATOM 0 HB2 ALA A 83 -4.519 15.327 -15.858 1.00 23.31 H new ATOM 0 HB3 ALA A 83 -6.194 15.256 -15.260 1.00 23.31 H new ATOM 1295 N ILE A 84 -7.837 12.841 -15.849 1.00 71.22 N ATOM 1296 CA ILE A 84 -8.891 12.011 -15.281 1.00 40.41 C ATOM 1297 C ILE A 84 -8.907 10.627 -15.923 1.00 32.43 C ATOM 1298 O ILE A 84 -8.775 9.612 -15.240 1.00 60.30 O ATOM 1299 CB ILE A 84 -10.277 12.661 -15.456 1.00 13.15 C ATOM 1300 CG1 ILE A 84 -10.315 14.024 -14.762 1.00 72.40 C ATOM 1301 CG2 ILE A 84 -11.362 11.749 -14.904 1.00 40.14 C ATOM 1302 CD1 ILE A 84 -11.293 14.993 -15.388 1.00 72.14 C ATOM 0 H ILE A 84 -8.173 13.645 -16.379 1.00 71.22 H new ATOM 0 HA ILE A 84 -8.676 11.914 -14.217 1.00 40.41 H new ATOM 0 HB ILE A 84 -10.462 12.810 -16.520 1.00 13.15 H new ATOM 0 HG12 ILE A 84 -10.577 13.882 -13.714 1.00 72.40 H new ATOM 0 HG13 ILE A 84 -9.317 14.462 -14.784 1.00 72.40 H new ATOM 0 HG21 ILE A 84 -12.336 12.221 -15.035 1.00 40.14 H new ATOM 0 HG22 ILE A 84 -11.345 10.799 -15.438 1.00 40.14 H new ATOM 0 HG23 ILE A 84 -11.184 11.572 -13.843 1.00 40.14 H new ATOM 0 HD11 ILE A 84 -11.267 15.938 -14.845 1.00 72.14 H new ATOM 0 HD12 ILE A 84 -11.019 15.165 -16.429 1.00 72.14 H new ATOM 0 HD13 ILE A 84 -12.299 14.576 -15.342 1.00 72.14 H new ATOM 1314 N VAL A 85 -9.068 10.595 -17.242 1.00 35.32 N ATOM 1315 CA VAL A 85 -9.098 9.337 -17.978 1.00 30.31 C ATOM 1316 C VAL A 85 -7.874 8.484 -17.659 1.00 43.22 C ATOM 1317 O VAL A 85 -7.927 7.256 -17.721 1.00 4.45 O ATOM 1318 CB VAL A 85 -9.159 9.577 -19.498 1.00 55.42 C ATOM 1319 CG1 VAL A 85 -9.150 8.254 -20.249 1.00 60.21 C ATOM 1320 CG2 VAL A 85 -10.390 10.395 -19.858 1.00 41.34 C ATOM 0 H VAL A 85 -9.180 11.426 -17.823 1.00 35.32 H new ATOM 0 HA VAL A 85 -9.998 8.809 -17.664 1.00 30.31 H new ATOM 0 HB VAL A 85 -8.275 10.141 -19.795 1.00 55.42 H new ATOM 0 HG11 VAL A 85 -9.194 8.444 -21.321 1.00 60.21 H new ATOM 0 HG12 VAL A 85 -8.236 7.708 -20.014 1.00 60.21 H new ATOM 0 HG13 VAL A 85 -10.014 7.660 -19.950 1.00 60.21 H new ATOM 0 HG21 VAL A 85 -10.418 10.556 -20.936 1.00 41.34 H new ATOM 0 HG22 VAL A 85 -11.287 9.859 -19.548 1.00 41.34 H new ATOM 0 HG23 VAL A 85 -10.349 11.358 -19.349 1.00 41.34 H new ATOM 1330 N THR A 86 -6.772 9.145 -17.316 1.00 53.12 N ATOM 1331 CA THR A 86 -5.535 8.448 -16.987 1.00 55.44 C ATOM 1332 C THR A 86 -5.660 7.702 -15.665 1.00 25.25 C ATOM 1333 O THR A 86 -5.467 6.487 -15.604 1.00 62.24 O ATOM 1334 CB THR A 86 -4.346 9.424 -16.905 1.00 64.23 C ATOM 1335 OG1 THR A 86 -4.145 10.060 -18.172 1.00 1.43 O ATOM 1336 CG2 THR A 86 -3.077 8.696 -16.490 1.00 42.21 C ATOM 0 H THR A 86 -6.712 10.162 -17.259 1.00 53.12 H new ATOM 0 HA THR A 86 -5.352 7.732 -17.788 1.00 55.44 H new ATOM 0 HB THR A 86 -4.575 10.179 -16.153 1.00 64.23 H new ATOM 0 HG1 THR A 86 -4.872 10.696 -18.338 1.00 1.43 H new ATOM 0 HG21 THR A 86 -2.251 9.405 -16.439 1.00 42.21 H new ATOM 0 HG22 THR A 86 -3.224 8.238 -15.512 1.00 42.21 H new ATOM 0 HG23 THR A 86 -2.846 7.922 -17.222 1.00 42.21 H new ATOM 1344 N LEU A 87 -5.981 8.436 -14.605 1.00 70.02 N ATOM 1345 CA LEU A 87 -6.133 7.843 -13.280 1.00 32.34 C ATOM 1346 C LEU A 87 -7.082 6.650 -13.323 1.00 11.43 C ATOM 1347 O LEU A 87 -6.896 5.669 -12.601 1.00 75.43 O ATOM 1348 CB LEU A 87 -6.651 8.886 -12.289 1.00 34.52 C ATOM 1349 CG LEU A 87 -5.588 9.620 -11.470 1.00 3.14 C ATOM 1350 CD1 LEU A 87 -4.857 8.650 -10.554 1.00 0.14 C ATOM 1351 CD2 LEU A 87 -4.606 10.334 -12.386 1.00 54.22 C ATOM 0 H LEU A 87 -6.141 9.443 -14.637 1.00 70.02 H new ATOM 0 HA LEU A 87 -5.154 7.493 -12.951 1.00 32.34 H new ATOM 0 HB2 LEU A 87 -7.231 9.626 -12.841 1.00 34.52 H new ATOM 0 HB3 LEU A 87 -7.337 8.394 -11.599 1.00 34.52 H new ATOM 0 HG LEU A 87 -6.085 10.368 -10.852 1.00 3.14 H new ATOM 0 HD11 LEU A 87 -4.104 9.190 -9.979 1.00 0.14 H new ATOM 0 HD12 LEU A 87 -5.570 8.185 -9.873 1.00 0.14 H new ATOM 0 HD13 LEU A 87 -4.372 7.879 -11.153 1.00 0.14 H new ATOM 0 HD21 LEU A 87 -3.857 10.850 -11.785 1.00 54.22 H new ATOM 0 HD22 LEU A 87 -4.114 9.606 -13.031 1.00 54.22 H new ATOM 0 HD23 LEU A 87 -5.142 11.058 -13.000 1.00 54.22 H new ATOM 1363 N LYS A 88 -8.097 6.738 -14.174 1.00 71.04 N ATOM 1364 CA LYS A 88 -9.075 5.666 -14.315 1.00 21.14 C ATOM 1365 C LYS A 88 -8.454 4.450 -14.996 1.00 2.32 C ATOM 1366 O LYS A 88 -8.444 3.352 -14.440 1.00 24.24 O ATOM 1367 CB LYS A 88 -10.283 6.151 -15.118 1.00 43.24 C ATOM 1368 CG LYS A 88 -10.792 7.515 -14.687 1.00 31.22 C ATOM 1369 CD LYS A 88 -12.285 7.490 -14.403 1.00 22.54 C ATOM 1370 CE LYS A 88 -12.947 8.805 -14.787 1.00 60.23 C ATOM 1371 NZ LYS A 88 -14.406 8.640 -15.033 1.00 15.11 N ATOM 0 H LYS A 88 -8.265 7.543 -14.778 1.00 71.04 H new ATOM 0 HA LYS A 88 -9.404 5.375 -13.317 1.00 21.14 H new ATOM 0 HB2 LYS A 88 -10.015 6.190 -16.174 1.00 43.24 H new ATOM 0 HB3 LYS A 88 -11.089 5.424 -15.020 1.00 43.24 H new ATOM 0 HG2 LYS A 88 -10.256 7.839 -13.794 1.00 31.22 H new ATOM 0 HG3 LYS A 88 -10.582 8.246 -15.468 1.00 31.22 H new ATOM 0 HD2 LYS A 88 -12.748 6.673 -14.956 1.00 22.54 H new ATOM 0 HD3 LYS A 88 -12.452 7.293 -13.344 1.00 22.54 H new ATOM 0 HE2 LYS A 88 -12.793 9.535 -13.992 1.00 60.23 H new ATOM 0 HE3 LYS A 88 -12.470 9.204 -15.683 1.00 60.23 H new ATOM 0 HZ1 LYS A 88 -14.925 9.418 -14.579 1.00 15.11 H new ATOM 0 HZ2 LYS A 88 -14.589 8.653 -16.057 1.00 15.11 H new ATOM 0 HZ3 LYS A 88 -14.725 7.733 -14.636 1.00 15.11 H new ATOM 1385 N VAL A 89 -7.935 4.653 -16.202 1.00 72.22 N ATOM 1386 CA VAL A 89 -7.310 3.575 -16.958 1.00 33.34 C ATOM 1387 C VAL A 89 -6.161 2.949 -16.175 1.00 62.24 C ATOM 1388 O VAL A 89 -5.878 1.759 -16.310 1.00 55.03 O ATOM 1389 CB VAL A 89 -6.780 4.074 -18.315 1.00 32.34 C ATOM 1390 CG1 VAL A 89 -6.091 2.946 -19.068 1.00 50.42 C ATOM 1391 CG2 VAL A 89 -7.910 4.667 -19.143 1.00 1.41 C ATOM 0 H VAL A 89 -7.935 5.556 -16.677 1.00 72.22 H new ATOM 0 HA VAL A 89 -8.080 2.823 -17.132 1.00 33.34 H new ATOM 0 HB VAL A 89 -6.045 4.858 -18.132 1.00 32.34 H new ATOM 0 HG11 VAL A 89 -5.723 3.318 -20.024 1.00 50.42 H new ATOM 0 HG12 VAL A 89 -5.254 2.573 -18.478 1.00 50.42 H new ATOM 0 HG13 VAL A 89 -6.801 2.138 -19.242 1.00 50.42 H new ATOM 0 HG21 VAL A 89 -7.517 5.015 -20.099 1.00 1.41 H new ATOM 0 HG22 VAL A 89 -8.671 3.906 -19.318 1.00 1.41 H new ATOM 0 HG23 VAL A 89 -8.353 5.506 -18.606 1.00 1.41 H new ATOM 1401 N PHE A 90 -5.502 3.760 -15.354 1.00 74.21 N ATOM 1402 CA PHE A 90 -4.382 3.287 -14.548 1.00 10.43 C ATOM 1403 C PHE A 90 -4.854 2.291 -13.493 1.00 4.11 C ATOM 1404 O PHE A 90 -4.322 1.187 -13.384 1.00 42.21 O ATOM 1405 CB PHE A 90 -3.678 4.466 -13.873 1.00 14.44 C ATOM 1406 CG PHE A 90 -2.198 4.263 -13.705 1.00 65.23 C ATOM 1407 CD1 PHE A 90 -1.705 3.091 -13.154 1.00 14.23 C ATOM 1408 CD2 PHE A 90 -1.302 5.244 -14.096 1.00 72.42 C ATOM 1409 CE1 PHE A 90 -0.345 2.901 -12.998 1.00 32.12 C ATOM 1410 CE2 PHE A 90 0.059 5.060 -13.942 1.00 60.04 C ATOM 1411 CZ PHE A 90 0.538 3.888 -13.392 1.00 1.21 C ATOM 0 H PHE A 90 -5.724 4.748 -15.229 1.00 74.21 H new ATOM 0 HA PHE A 90 -3.678 2.783 -15.210 1.00 10.43 H new ATOM 0 HB2 PHE A 90 -3.849 5.367 -14.462 1.00 14.44 H new ATOM 0 HB3 PHE A 90 -4.127 4.635 -12.894 1.00 14.44 H new ATOM 0 HD1 PHE A 90 -2.391 2.317 -12.843 1.00 14.23 H new ATOM 0 HD2 PHE A 90 -1.671 6.163 -14.526 1.00 72.42 H new ATOM 0 HE1 PHE A 90 0.027 1.982 -12.569 1.00 32.12 H new ATOM 0 HE2 PHE A 90 0.747 5.833 -14.252 1.00 60.04 H new ATOM 0 HZ PHE A 90 1.601 3.743 -13.270 1.00 1.21 H new ATOM 1421 N ALA A 91 -5.858 2.690 -12.717 1.00 35.43 N ATOM 1422 CA ALA A 91 -6.403 1.834 -11.672 1.00 13.34 C ATOM 1423 C ALA A 91 -6.850 0.491 -12.241 1.00 45.13 C ATOM 1424 O ALA A 91 -6.565 -0.562 -11.670 1.00 53.15 O ATOM 1425 CB ALA A 91 -7.563 2.527 -10.973 1.00 35.33 C ATOM 0 H ALA A 91 -6.310 3.601 -12.794 1.00 35.43 H new ATOM 0 HA ALA A 91 -5.615 1.646 -10.943 1.00 13.34 H new ATOM 0 HB1 ALA A 91 -7.960 1.876 -10.195 1.00 35.33 H new ATOM 0 HB2 ALA A 91 -7.214 3.457 -10.525 1.00 35.33 H new ATOM 0 HB3 ALA A 91 -8.347 2.745 -11.698 1.00 35.33 H new ATOM 1431 N VAL A 92 -7.555 0.537 -13.368 1.00 2.05 N ATOM 1432 CA VAL A 92 -8.043 -0.676 -14.014 1.00 24.22 C ATOM 1433 C VAL A 92 -6.893 -1.484 -14.605 1.00 4.31 C ATOM 1434 O VAL A 92 -6.772 -2.683 -14.357 1.00 40.11 O ATOM 1435 CB VAL A 92 -9.054 -0.350 -15.128 1.00 53.41 C ATOM 1436 CG1 VAL A 92 -9.579 -1.629 -15.763 1.00 45.24 C ATOM 1437 CG2 VAL A 92 -10.196 0.492 -14.581 1.00 13.10 C ATOM 0 H VAL A 92 -7.801 1.401 -13.852 1.00 2.05 H new ATOM 0 HA VAL A 92 -8.540 -1.267 -13.245 1.00 24.22 H new ATOM 0 HB VAL A 92 -8.545 0.228 -15.900 1.00 53.41 H new ATOM 0 HG11 VAL A 92 -10.292 -1.379 -16.548 1.00 45.24 H new ATOM 0 HG12 VAL A 92 -8.749 -2.190 -16.192 1.00 45.24 H new ATOM 0 HG13 VAL A 92 -10.073 -2.236 -15.004 1.00 45.24 H new ATOM 0 HG21 VAL A 92 -10.901 0.713 -15.382 1.00 13.10 H new ATOM 0 HG22 VAL A 92 -10.706 -0.057 -13.790 1.00 13.10 H new ATOM 0 HG23 VAL A 92 -9.800 1.424 -14.178 1.00 13.10 H new ATOM 1447 N ALA A 93 -6.051 -0.818 -15.388 1.00 4.54 N ATOM 1448 CA ALA A 93 -4.909 -1.474 -16.013 1.00 11.02 C ATOM 1449 C ALA A 93 -4.038 -2.170 -14.972 1.00 64.22 C ATOM 1450 O ALA A 93 -3.328 -3.126 -15.282 1.00 41.03 O ATOM 1451 CB ALA A 93 -4.087 -0.464 -16.801 1.00 30.20 C ATOM 0 H ALA A 93 -6.138 0.175 -15.605 1.00 4.54 H new ATOM 0 HA ALA A 93 -5.287 -2.233 -16.698 1.00 11.02 H new ATOM 0 HB1 ALA A 93 -3.237 -0.967 -17.262 1.00 30.20 H new ATOM 0 HB2 ALA A 93 -4.708 -0.015 -17.576 1.00 30.20 H new ATOM 0 HB3 ALA A 93 -3.726 0.315 -16.129 1.00 30.20 H new ATOM 1457 N GLY A 94 -4.097 -1.683 -13.737 1.00 24.12 N ATOM 1458 CA GLY A 94 -3.307 -2.270 -12.669 1.00 44.22 C ATOM 1459 C GLY A 94 -4.098 -3.268 -11.846 1.00 60.30 C ATOM 1460 O GLY A 94 -3.857 -4.473 -11.919 1.00 1.15 O ATOM 0 H GLY A 94 -4.677 -0.893 -13.456 1.00 24.12 H new ATOM 0 HA2 GLY A 94 -2.435 -2.765 -13.096 1.00 44.22 H new ATOM 0 HA3 GLY A 94 -2.937 -1.478 -12.018 1.00 44.22 H new ATOM 1464 N LEU A 95 -5.043 -2.766 -11.059 1.00 4.24 N ATOM 1465 CA LEU A 95 -5.871 -3.622 -10.216 1.00 21.33 C ATOM 1466 C LEU A 95 -6.638 -4.636 -11.057 1.00 53.03 C ATOM 1467 O LEU A 95 -6.618 -5.836 -10.776 1.00 65.43 O ATOM 1468 CB LEU A 95 -6.849 -2.775 -9.400 1.00 11.13 C ATOM 1469 CG LEU A 95 -6.262 -2.053 -8.188 1.00 24.34 C ATOM 1470 CD1 LEU A 95 -5.589 -3.045 -7.250 1.00 22.34 C ATOM 1471 CD2 LEU A 95 -5.275 -0.982 -8.630 1.00 41.24 C ATOM 0 H LEU A 95 -5.255 -1.771 -10.987 1.00 4.24 H new ATOM 0 HA LEU A 95 -5.215 -4.164 -9.536 1.00 21.33 H new ATOM 0 HB2 LEU A 95 -7.293 -2.031 -10.061 1.00 11.13 H new ATOM 0 HB3 LEU A 95 -7.658 -3.420 -9.057 1.00 11.13 H new ATOM 0 HG LEU A 95 -7.076 -1.568 -7.649 1.00 24.34 H new ATOM 0 HD11 LEU A 95 -5.177 -2.513 -6.393 1.00 22.34 H new ATOM 0 HD12 LEU A 95 -6.322 -3.775 -6.906 1.00 22.34 H new ATOM 0 HD13 LEU A 95 -4.786 -3.558 -7.779 1.00 22.34 H new ATOM 0 HD21 LEU A 95 -4.867 -0.479 -7.753 1.00 41.24 H new ATOM 0 HD22 LEU A 95 -4.464 -1.444 -9.193 1.00 41.24 H new ATOM 0 HD23 LEU A 95 -5.786 -0.255 -9.261 1.00 41.24 H new ATOM 1483 N LEU A 96 -7.313 -4.149 -12.093 1.00 11.01 N ATOM 1484 CA LEU A 96 -8.087 -5.013 -12.978 1.00 34.04 C ATOM 1485 C LEU A 96 -7.178 -5.718 -13.980 1.00 34.00 C ATOM 1486 O LEU A 96 -7.636 -6.527 -14.786 1.00 31.35 O ATOM 1487 CB LEU A 96 -9.147 -4.198 -13.720 1.00 71.12 C ATOM 1488 CG LEU A 96 -10.586 -4.701 -13.598 1.00 10.32 C ATOM 1489 CD1 LEU A 96 -11.432 -3.713 -12.810 1.00 55.24 C ATOM 1490 CD2 LEU A 96 -11.186 -4.940 -14.976 1.00 4.44 C ATOM 0 H LEU A 96 -7.340 -3.160 -12.341 1.00 11.01 H new ATOM 0 HA LEU A 96 -8.581 -5.769 -12.367 1.00 34.04 H new ATOM 0 HB2 LEU A 96 -9.110 -3.172 -13.354 1.00 71.12 H new ATOM 0 HB3 LEU A 96 -8.881 -4.170 -14.777 1.00 71.12 H new ATOM 0 HG LEU A 96 -10.575 -5.648 -13.059 1.00 10.32 H new ATOM 0 HD11 LEU A 96 -12.453 -4.088 -12.734 1.00 55.24 H new ATOM 0 HD12 LEU A 96 -11.014 -3.592 -11.811 1.00 55.24 H new ATOM 0 HD13 LEU A 96 -11.437 -2.750 -13.320 1.00 55.24 H new ATOM 0 HD21 LEU A 96 -12.210 -5.298 -14.870 1.00 4.44 H new ATOM 0 HD22 LEU A 96 -11.184 -4.008 -15.540 1.00 4.44 H new ATOM 0 HD23 LEU A 96 -10.594 -5.686 -15.506 1.00 4.44 H new ATOM 1502 N ASN A 97 -5.887 -5.406 -13.924 1.00 61.54 N ATOM 1503 CA ASN A 97 -4.913 -6.010 -14.826 1.00 63.44 C ATOM 1504 C ASN A 97 -5.326 -5.816 -16.281 1.00 62.04 C ATOM 1505 O ASN A 97 -5.239 -6.739 -17.091 1.00 23.42 O ATOM 1506 CB ASN A 97 -4.763 -7.501 -14.521 1.00 14.30 C ATOM 1507 CG ASN A 97 -4.827 -7.798 -13.036 1.00 22.13 C ATOM 1508 OD1 ASN A 97 -5.762 -8.440 -12.558 1.00 3.20 O ATOM 1509 ND2 ASN A 97 -3.828 -7.330 -12.296 1.00 73.42 N ATOM 0 H ASN A 97 -5.491 -4.738 -13.263 1.00 61.54 H new ATOM 0 HA ASN A 97 -3.954 -5.515 -14.671 1.00 63.44 H new ATOM 0 HB2 ASN A 97 -5.550 -8.055 -15.033 1.00 14.30 H new ATOM 0 HB3 ASN A 97 -3.812 -7.856 -14.919 1.00 14.30 H new ATOM 0 HD21 ASN A 97 -3.816 -7.498 -11.290 1.00 73.42 H new ATOM 0 HD22 ASN A 97 -3.073 -6.802 -12.734 1.00 73.42 H new ATOM 1516 N MET A 98 -5.776 -4.608 -16.607 1.00 4.01 N ATOM 1517 CA MET A 98 -6.201 -4.292 -17.966 1.00 64.43 C ATOM 1518 C MET A 98 -7.409 -5.133 -18.367 1.00 51.52 C ATOM 1519 O MET A 98 -7.722 -6.135 -17.724 1.00 64.12 O ATOM 1520 CB MET A 98 -5.053 -4.525 -18.949 1.00 0.33 C ATOM 1521 CG MET A 98 -4.993 -3.498 -20.069 1.00 44.14 C ATOM 1522 SD MET A 98 -4.115 -4.104 -21.522 1.00 10.44 S ATOM 1523 CE MET A 98 -5.291 -5.300 -22.153 1.00 74.15 C ATOM 0 H MET A 98 -5.856 -3.833 -15.949 1.00 4.01 H new ATOM 0 HA MET A 98 -6.487 -3.241 -17.996 1.00 64.43 H new ATOM 0 HB2 MET A 98 -4.110 -4.511 -18.403 1.00 0.33 H new ATOM 0 HB3 MET A 98 -5.154 -5.519 -19.384 1.00 0.33 H new ATOM 0 HG2 MET A 98 -6.007 -3.217 -20.353 1.00 44.14 H new ATOM 0 HG3 MET A 98 -4.503 -2.596 -19.703 1.00 44.14 H new ATOM 0 HE1 MET A 98 -5.102 -5.472 -23.213 1.00 74.15 H new ATOM 0 HE2 MET A 98 -5.184 -6.238 -21.608 1.00 74.15 H new ATOM 0 HE3 MET A 98 -6.304 -4.918 -22.023 1.00 74.15 H new ATOM 1533 N THR A 99 -8.085 -4.719 -19.435 1.00 22.53 N ATOM 1534 CA THR A 99 -9.258 -5.433 -19.921 1.00 41.30 C ATOM 1535 C THR A 99 -9.854 -4.744 -21.143 1.00 63.42 C ATOM 1536 O THR A 99 -10.379 -5.399 -22.043 1.00 43.43 O ATOM 1537 CB THR A 99 -10.339 -5.544 -18.829 1.00 51.55 C ATOM 1538 OG1 THR A 99 -11.560 -6.035 -19.398 1.00 21.44 O ATOM 1539 CG2 THR A 99 -10.587 -4.194 -18.173 1.00 43.34 C ATOM 0 H THR A 99 -7.839 -3.892 -19.979 1.00 22.53 H new ATOM 0 HA THR A 99 -8.927 -6.434 -20.198 1.00 41.30 H new ATOM 0 HB THR A 99 -9.986 -6.240 -18.068 1.00 51.55 H new ATOM 0 HG1 THR A 99 -12.242 -6.105 -18.698 1.00 21.44 H new ATOM 0 HG21 THR A 99 -11.354 -4.298 -17.406 1.00 43.34 H new ATOM 0 HG22 THR A 99 -9.664 -3.836 -17.717 1.00 43.34 H new ATOM 0 HG23 THR A 99 -10.921 -3.480 -18.926 1.00 43.34 H new ATOM 1547 N VAL A 100 -9.770 -3.417 -21.169 1.00 24.03 N ATOM 1548 CA VAL A 100 -10.299 -2.639 -22.282 1.00 10.22 C ATOM 1549 C VAL A 100 -9.300 -2.573 -23.431 1.00 3.44 C ATOM 1550 O VAL A 100 -8.234 -3.186 -23.376 1.00 35.05 O ATOM 1551 CB VAL A 100 -10.657 -1.206 -21.845 1.00 2.21 C ATOM 1552 CG1 VAL A 100 -11.760 -1.227 -20.798 1.00 64.20 C ATOM 1553 CG2 VAL A 100 -9.425 -0.487 -21.319 1.00 31.54 C ATOM 0 H VAL A 100 -9.340 -2.859 -20.431 1.00 24.03 H new ATOM 0 HA VAL A 100 -11.203 -3.145 -22.620 1.00 10.22 H new ATOM 0 HB VAL A 100 -11.025 -0.660 -22.714 1.00 2.21 H new ATOM 0 HG11 VAL A 100 -12.000 -0.206 -20.501 1.00 64.20 H new ATOM 0 HG12 VAL A 100 -12.648 -1.702 -21.215 1.00 64.20 H new ATOM 0 HG13 VAL A 100 -11.424 -1.789 -19.926 1.00 64.20 H new ATOM 0 HG21 VAL A 100 -9.696 0.524 -21.015 1.00 31.54 H new ATOM 0 HG22 VAL A 100 -9.026 -1.029 -20.462 1.00 31.54 H new ATOM 0 HG23 VAL A 100 -8.669 -0.440 -22.103 1.00 31.54 H new ATOM 1563 N SER A 101 -9.651 -1.825 -24.472 1.00 54.13 N ATOM 1564 CA SER A 101 -8.787 -1.682 -25.637 1.00 31.53 C ATOM 1565 C SER A 101 -8.259 -0.254 -25.749 1.00 14.33 C ATOM 1566 O SER A 101 -7.176 -0.019 -26.287 1.00 4.34 O ATOM 1567 CB SER A 101 -9.545 -2.059 -26.911 1.00 34.12 C ATOM 1568 OG SER A 101 -10.750 -2.739 -26.605 1.00 21.20 O ATOM 0 H SER A 101 -10.528 -1.308 -24.532 1.00 54.13 H new ATOM 0 HA SER A 101 -7.939 -2.356 -25.515 1.00 31.53 H new ATOM 0 HB2 SER A 101 -9.767 -1.160 -27.485 1.00 34.12 H new ATOM 0 HB3 SER A 101 -8.916 -2.691 -27.538 1.00 34.12 H new ATOM 0 HG SER A 101 -11.217 -2.968 -27.436 1.00 21.20 H new ATOM 1574 N THR A 102 -9.033 0.698 -25.238 1.00 21.21 N ATOM 1575 CA THR A 102 -8.647 2.103 -25.281 1.00 22.03 C ATOM 1576 C THR A 102 -8.842 2.769 -23.924 1.00 3.13 C ATOM 1577 O THR A 102 -9.656 2.324 -23.115 1.00 12.11 O ATOM 1578 CB THR A 102 -9.454 2.876 -26.340 1.00 51.31 C ATOM 1579 OG1 THR A 102 -10.795 3.079 -25.882 1.00 53.31 O ATOM 1580 CG2 THR A 102 -9.472 2.122 -27.662 1.00 71.04 C ATOM 0 H THR A 102 -9.932 0.521 -24.789 1.00 21.21 H new ATOM 0 HA THR A 102 -7.591 2.132 -25.548 1.00 22.03 H new ATOM 0 HB THR A 102 -8.975 3.842 -26.497 1.00 51.31 H new ATOM 0 HG1 THR A 102 -11.301 3.573 -26.560 1.00 53.31 H new ATOM 0 HG21 THR A 102 -10.048 2.687 -28.395 1.00 71.04 H new ATOM 0 HG22 THR A 102 -8.451 1.995 -28.022 1.00 71.04 H new ATOM 0 HG23 THR A 102 -9.930 1.144 -27.517 1.00 71.04 H new ATOM 1588 N ALA A 103 -8.092 3.838 -23.680 1.00 13.22 N ATOM 1589 CA ALA A 103 -8.185 4.567 -22.422 1.00 11.14 C ATOM 1590 C ALA A 103 -9.612 5.039 -22.166 1.00 4.44 C ATOM 1591 O ALA A 103 -10.078 5.046 -21.027 1.00 42.34 O ATOM 1592 CB ALA A 103 -7.229 5.750 -22.425 1.00 32.33 C ATOM 0 H ALA A 103 -7.412 4.219 -24.338 1.00 13.22 H new ATOM 0 HA ALA A 103 -7.904 3.889 -21.616 1.00 11.14 H new ATOM 0 HB1 ALA A 103 -7.309 6.285 -21.479 1.00 32.33 H new ATOM 0 HB2 ALA A 103 -6.208 5.392 -22.554 1.00 32.33 H new ATOM 0 HB3 ALA A 103 -7.484 6.422 -23.245 1.00 32.33 H new ATOM 1598 N ALA A 104 -10.301 5.433 -23.231 1.00 74.33 N ATOM 1599 CA ALA A 104 -11.675 5.905 -23.121 1.00 75.02 C ATOM 1600 C ALA A 104 -12.604 4.789 -22.657 1.00 34.24 C ATOM 1601 O ALA A 104 -13.441 4.990 -21.778 1.00 62.42 O ATOM 1602 CB ALA A 104 -12.148 6.468 -24.454 1.00 42.12 C ATOM 0 H ALA A 104 -9.930 5.435 -24.181 1.00 74.33 H new ATOM 0 HA ALA A 104 -11.701 6.698 -22.374 1.00 75.02 H new ATOM 0 HB1 ALA A 104 -13.176 6.817 -24.357 1.00 42.12 H new ATOM 0 HB2 ALA A 104 -11.508 7.301 -24.745 1.00 42.12 H new ATOM 0 HB3 ALA A 104 -12.099 5.690 -25.216 1.00 42.12 H new ATOM 1608 N ALA A 105 -12.450 3.611 -23.254 1.00 44.41 N ATOM 1609 CA ALA A 105 -13.274 2.462 -22.899 1.00 53.13 C ATOM 1610 C ALA A 105 -13.121 2.110 -21.424 1.00 1.43 C ATOM 1611 O ALA A 105 -14.093 1.765 -20.753 1.00 53.40 O ATOM 1612 CB ALA A 105 -12.915 1.266 -23.770 1.00 70.34 C ATOM 0 H ALA A 105 -11.763 3.428 -23.985 1.00 44.41 H new ATOM 0 HA ALA A 105 -14.317 2.726 -23.075 1.00 53.13 H new ATOM 0 HB1 ALA A 105 -13.538 0.415 -23.494 1.00 70.34 H new ATOM 0 HB2 ALA A 105 -13.084 1.515 -24.818 1.00 70.34 H new ATOM 0 HB3 ALA A 105 -11.866 1.010 -23.623 1.00 70.34 H new ATOM 1618 N ALA A 106 -11.892 2.199 -20.925 1.00 23.24 N ATOM 1619 CA ALA A 106 -11.612 1.891 -19.527 1.00 32.33 C ATOM 1620 C ALA A 106 -12.298 2.885 -18.597 1.00 20.22 C ATOM 1621 O ALA A 106 -12.947 2.495 -17.628 1.00 63.25 O ATOM 1622 CB ALA A 106 -10.110 1.883 -19.280 1.00 42.22 C ATOM 0 H ALA A 106 -11.075 2.481 -21.467 1.00 23.24 H new ATOM 0 HA ALA A 106 -12.010 0.899 -19.312 1.00 32.33 H new ATOM 0 HB1 ALA A 106 -9.915 1.652 -18.233 1.00 42.22 H new ATOM 0 HB2 ALA A 106 -9.641 1.128 -19.912 1.00 42.22 H new ATOM 0 HB3 ALA A 106 -9.697 2.863 -19.518 1.00 42.22 H new ATOM 1628 N GLU A 107 -12.146 4.172 -18.899 1.00 42.40 N ATOM 1629 CA GLU A 107 -12.751 5.221 -18.087 1.00 75.21 C ATOM 1630 C GLU A 107 -14.266 5.050 -18.016 1.00 31.15 C ATOM 1631 O GLU A 107 -14.855 5.088 -16.936 1.00 13.21 O ATOM 1632 CB GLU A 107 -12.410 6.599 -18.659 1.00 21.24 C ATOM 1633 CG GLU A 107 -13.032 7.750 -17.886 1.00 35.30 C ATOM 1634 CD GLU A 107 -14.084 8.490 -18.690 1.00 63.13 C ATOM 1635 OE1 GLU A 107 -13.853 8.726 -19.895 1.00 20.52 O ATOM 1636 OE2 GLU A 107 -15.138 8.833 -18.115 1.00 1.52 O ATOM 0 H GLU A 107 -11.610 4.512 -19.698 1.00 42.40 H new ATOM 0 HA GLU A 107 -12.346 5.142 -17.078 1.00 75.21 H new ATOM 0 HB2 GLU A 107 -11.327 6.722 -18.668 1.00 21.24 H new ATOM 0 HB3 GLU A 107 -12.744 6.646 -19.695 1.00 21.24 H new ATOM 0 HG2 GLU A 107 -13.482 7.367 -16.970 1.00 35.30 H new ATOM 0 HG3 GLU A 107 -12.250 8.448 -17.588 1.00 35.30 H new ATOM 1643 N ASN A 108 -14.889 4.861 -19.174 1.00 62.44 N ATOM 1644 CA ASN A 108 -16.335 4.685 -19.244 1.00 65.15 C ATOM 1645 C ASN A 108 -16.786 3.529 -18.357 1.00 14.32 C ATOM 1646 O ASN A 108 -17.777 3.636 -17.636 1.00 51.33 O ATOM 1647 CB ASN A 108 -16.770 4.435 -20.690 1.00 5.51 C ATOM 1648 CG ASN A 108 -17.709 5.507 -21.205 1.00 72.43 C ATOM 1649 OD1 ASN A 108 -18.790 5.210 -21.715 1.00 54.31 O ATOM 1650 ND2 ASN A 108 -17.301 6.765 -21.074 1.00 13.52 N ATOM 0 H ASN A 108 -14.416 4.826 -20.077 1.00 62.44 H new ATOM 0 HA ASN A 108 -16.805 5.600 -18.884 1.00 65.15 H new ATOM 0 HB2 ASN A 108 -15.888 4.391 -21.329 1.00 5.51 H new ATOM 0 HB3 ASN A 108 -17.261 3.464 -20.756 1.00 5.51 H new ATOM 0 HD21 ASN A 108 -17.891 7.529 -21.402 1.00 13.52 H new ATOM 0 HD22 ASN A 108 -16.398 6.966 -20.645 1.00 13.52 H new ATOM 1657 N MET A 109 -16.050 2.423 -18.417 1.00 73.15 N ATOM 1658 CA MET A 109 -16.373 1.247 -17.618 1.00 34.45 C ATOM 1659 C MET A 109 -16.115 1.508 -16.137 1.00 10.20 C ATOM 1660 O MET A 109 -16.888 1.082 -15.278 1.00 32.20 O ATOM 1661 CB MET A 109 -15.551 0.044 -18.087 1.00 20.42 C ATOM 1662 CG MET A 109 -16.358 -1.239 -18.194 1.00 64.13 C ATOM 1663 SD MET A 109 -15.495 -2.662 -17.500 1.00 21.35 S ATOM 1664 CE MET A 109 -15.794 -2.420 -15.751 1.00 41.35 C ATOM 0 H MET A 109 -15.227 2.317 -19.010 1.00 73.15 H new ATOM 0 HA MET A 109 -17.433 1.028 -17.751 1.00 34.45 H new ATOM 0 HB2 MET A 109 -15.113 0.270 -19.059 1.00 20.42 H new ATOM 0 HB3 MET A 109 -14.724 -0.113 -17.394 1.00 20.42 H new ATOM 0 HG2 MET A 109 -17.310 -1.109 -17.679 1.00 64.13 H new ATOM 0 HG3 MET A 109 -16.587 -1.433 -19.242 1.00 64.13 H new ATOM 0 HE1 MET A 109 -15.321 -3.223 -15.186 1.00 41.35 H new ATOM 0 HE2 MET A 109 -15.376 -1.463 -15.439 1.00 41.35 H new ATOM 0 HE3 MET A 109 -16.867 -2.426 -15.561 1.00 41.35 H new ATOM 1674 N TYR A 110 -15.025 2.209 -15.846 1.00 21.12 N ATOM 1675 CA TYR A 110 -14.664 2.524 -14.469 1.00 25.34 C ATOM 1676 C TYR A 110 -15.813 3.227 -13.751 1.00 53.51 C ATOM 1677 O TYR A 110 -16.134 2.906 -12.608 1.00 5.10 O ATOM 1678 CB TYR A 110 -13.413 3.403 -14.435 1.00 51.32 C ATOM 1679 CG TYR A 110 -12.893 3.663 -13.040 1.00 32.40 C ATOM 1680 CD1 TYR A 110 -13.213 4.835 -12.365 1.00 71.13 C ATOM 1681 CD2 TYR A 110 -12.080 2.739 -12.396 1.00 52.11 C ATOM 1682 CE1 TYR A 110 -12.740 5.078 -11.090 1.00 34.41 C ATOM 1683 CE2 TYR A 110 -11.604 2.972 -11.121 1.00 63.12 C ATOM 1684 CZ TYR A 110 -11.936 4.143 -10.472 1.00 75.51 C ATOM 1685 OH TYR A 110 -11.462 4.380 -9.202 1.00 75.34 O ATOM 0 H TYR A 110 -14.376 2.570 -16.545 1.00 21.12 H new ATOM 0 HA TYR A 110 -14.455 1.587 -13.952 1.00 25.34 H new ATOM 0 HB2 TYR A 110 -12.629 2.927 -15.023 1.00 51.32 H new ATOM 0 HB3 TYR A 110 -13.636 4.356 -14.914 1.00 51.32 H new ATOM 0 HD1 TYR A 110 -13.843 5.569 -12.846 1.00 71.13 H new ATOM 0 HD2 TYR A 110 -11.815 1.822 -12.902 1.00 52.11 H new ATOM 0 HE1 TYR A 110 -12.998 5.994 -10.580 1.00 34.41 H new ATOM 0 HE2 TYR A 110 -10.975 2.241 -10.634 1.00 63.12 H new ATOM 0 HH TYR A 110 -10.912 3.623 -8.912 1.00 75.34 H new ATOM 1695 N SER A 111 -16.428 4.187 -14.434 1.00 75.10 N ATOM 1696 CA SER A 111 -17.539 4.939 -13.863 1.00 44.24 C ATOM 1697 C SER A 111 -18.856 4.191 -14.055 1.00 30.50 C ATOM 1698 O SER A 111 -19.757 4.279 -13.222 1.00 2.41 O ATOM 1699 CB SER A 111 -17.628 6.325 -14.504 1.00 31.13 C ATOM 1700 OG SER A 111 -18.168 6.248 -15.812 1.00 61.10 O ATOM 0 H SER A 111 -16.176 4.462 -15.383 1.00 75.10 H new ATOM 0 HA SER A 111 -17.358 5.053 -12.794 1.00 44.24 H new ATOM 0 HB2 SER A 111 -18.250 6.975 -13.888 1.00 31.13 H new ATOM 0 HB3 SER A 111 -16.636 6.776 -14.542 1.00 31.13 H new ATOM 0 HG SER A 111 -18.216 7.147 -16.200 1.00 61.10 H new ATOM 1706 N GLN A 112 -18.957 3.459 -15.158 1.00 52.54 N ATOM 1707 CA GLN A 112 -20.164 2.698 -15.461 1.00 44.13 C ATOM 1708 C GLN A 112 -20.448 1.671 -14.370 1.00 1.52 C ATOM 1709 O GLN A 112 -21.592 1.271 -14.164 1.00 44.43 O ATOM 1710 CB GLN A 112 -20.024 1.996 -16.813 1.00 72.14 C ATOM 1711 CG GLN A 112 -21.218 1.128 -17.174 1.00 51.22 C ATOM 1712 CD GLN A 112 -22.470 1.939 -17.444 1.00 64.31 C ATOM 1713 OE1 GLN A 112 -22.529 2.711 -18.401 1.00 54.15 O ATOM 1714 NE2 GLN A 112 -23.480 1.768 -16.599 1.00 64.43 N ATOM 0 H GLN A 112 -18.219 3.376 -15.857 1.00 52.54 H new ATOM 0 HA GLN A 112 -21.001 3.395 -15.506 1.00 44.13 H new ATOM 0 HB2 GLN A 112 -19.883 2.747 -17.590 1.00 72.14 H new ATOM 0 HB3 GLN A 112 -19.126 1.378 -16.801 1.00 72.14 H new ATOM 0 HG2 GLN A 112 -20.977 0.534 -18.056 1.00 51.22 H new ATOM 0 HG3 GLN A 112 -21.412 0.428 -16.362 1.00 51.22 H new ATOM 0 HE21 GLN A 112 -23.388 1.117 -15.819 1.00 64.43 H new ATOM 0 HE22 GLN A 112 -24.348 2.287 -16.730 1.00 64.43 H new ATOM 1723 N MET A 113 -19.397 1.249 -13.674 1.00 43.10 N ATOM 1724 CA MET A 113 -19.534 0.270 -12.602 1.00 2.31 C ATOM 1725 C MET A 113 -19.844 0.955 -11.275 1.00 53.14 C ATOM 1726 O MET A 113 -20.412 0.346 -10.369 1.00 20.41 O ATOM 1727 CB MET A 113 -18.256 -0.561 -12.474 1.00 33.53 C ATOM 1728 CG MET A 113 -18.399 -1.761 -11.553 1.00 11.42 C ATOM 1729 SD MET A 113 -17.841 -3.295 -12.320 1.00 31.50 S ATOM 1730 CE MET A 113 -16.462 -3.721 -11.258 1.00 52.41 C ATOM 0 H MET A 113 -18.442 1.570 -13.833 1.00 43.10 H new ATOM 0 HA MET A 113 -20.364 -0.390 -12.852 1.00 2.31 H new ATOM 0 HB2 MET A 113 -17.957 -0.907 -13.464 1.00 33.53 H new ATOM 0 HB3 MET A 113 -17.454 0.077 -12.104 1.00 33.53 H new ATOM 0 HG2 MET A 113 -17.827 -1.585 -10.642 1.00 11.42 H new ATOM 0 HG3 MET A 113 -19.443 -1.866 -11.258 1.00 11.42 H new ATOM 0 HE1 MET A 113 -16.010 -4.651 -11.604 1.00 52.41 H new ATOM 0 HE2 MET A 113 -15.720 -2.923 -11.288 1.00 52.41 H new ATOM 0 HE3 MET A 113 -16.816 -3.849 -10.235 1.00 52.41 H new ATOM 1740 N GLY A 114 -19.468 2.226 -11.168 1.00 10.12 N ATOM 1741 CA GLY A 114 -19.715 2.971 -9.948 1.00 32.55 C ATOM 1742 C GLY A 114 -18.441 3.263 -9.179 1.00 43.13 C ATOM 1743 O GLY A 114 -18.470 3.439 -7.961 1.00 20.44 O ATOM 0 H GLY A 114 -18.997 2.752 -11.904 1.00 10.12 H new ATOM 0 HA2 GLY A 114 -20.211 3.910 -10.193 1.00 32.55 H new ATOM 0 HA3 GLY A 114 -20.398 2.406 -9.313 1.00 32.55 H new ATOM 1747 N LEU A 115 -17.320 3.310 -9.891 1.00 64.43 N ATOM 1748 CA LEU A 115 -16.028 3.581 -9.267 1.00 44.54 C ATOM 1749 C LEU A 115 -15.697 5.069 -9.325 1.00 42.34 C ATOM 1750 O LEU A 115 -14.944 5.579 -8.496 1.00 30.05 O ATOM 1751 CB LEU A 115 -14.928 2.773 -9.958 1.00 60.33 C ATOM 1752 CG LEU A 115 -15.277 1.326 -10.309 1.00 64.40 C ATOM 1753 CD1 LEU A 115 -14.134 0.672 -11.071 1.00 45.04 C ATOM 1754 CD2 LEU A 115 -15.602 0.537 -9.049 1.00 13.14 C ATOM 0 H LEU A 115 -17.279 3.164 -10.900 1.00 64.43 H new ATOM 0 HA LEU A 115 -16.086 3.282 -8.220 1.00 44.54 H new ATOM 0 HB2 LEU A 115 -14.647 3.290 -10.875 1.00 60.33 H new ATOM 0 HB3 LEU A 115 -14.049 2.767 -9.313 1.00 60.33 H new ATOM 0 HG LEU A 115 -16.159 1.328 -10.950 1.00 64.40 H new ATOM 0 HD11 LEU A 115 -14.400 -0.357 -11.313 1.00 45.04 H new ATOM 0 HD12 LEU A 115 -13.948 1.224 -11.992 1.00 45.04 H new ATOM 0 HD13 LEU A 115 -13.235 0.680 -10.455 1.00 45.04 H new ATOM 0 HD21 LEU A 115 -15.848 -0.491 -9.317 1.00 13.14 H new ATOM 0 HD22 LEU A 115 -14.739 0.542 -8.384 1.00 13.14 H new ATOM 0 HD23 LEU A 115 -16.452 0.994 -8.543 1.00 13.14 H new ATOM 1766 N ASP A 116 -16.266 5.758 -10.307 1.00 71.11 N ATOM 1767 CA ASP A 116 -16.033 7.189 -10.471 1.00 11.05 C ATOM 1768 C ASP A 116 -17.087 8.000 -9.725 1.00 42.11 C ATOM 1769 O ASP A 116 -18.101 7.461 -9.279 1.00 50.10 O ATOM 1770 CB ASP A 116 -16.040 7.562 -11.954 1.00 52.21 C ATOM 1771 CG ASP A 116 -15.400 8.910 -12.215 1.00 33.22 C ATOM 1772 OD1 ASP A 116 -14.155 8.998 -12.156 1.00 63.24 O ATOM 1773 OD2 ASP A 116 -16.143 9.878 -12.480 1.00 32.23 O ATOM 0 H ASP A 116 -16.892 5.350 -11.002 1.00 71.11 H new ATOM 0 HA ASP A 116 -15.055 7.423 -10.050 1.00 11.05 H new ATOM 0 HB2 ASP A 116 -15.511 6.796 -12.521 1.00 52.21 H new ATOM 0 HB3 ASP A 116 -17.067 7.574 -12.318 1.00 52.21 H new ATOM 1778 N THR A 117 -16.842 9.300 -9.591 1.00 15.23 N ATOM 1779 CA THR A 117 -17.768 10.185 -8.897 1.00 72.15 C ATOM 1780 C THR A 117 -18.899 10.629 -9.819 1.00 55.13 C ATOM 1781 O THR A 117 -20.048 10.222 -9.649 1.00 4.15 O ATOM 1782 CB THR A 117 -17.050 11.431 -8.349 1.00 71.40 C ATOM 1783 OG1 THR A 117 -15.689 11.450 -8.795 1.00 55.41 O ATOM 1784 CG2 THR A 117 -17.089 11.454 -6.828 1.00 51.41 C ATOM 0 H THR A 117 -16.009 9.763 -9.955 1.00 15.23 H new ATOM 0 HA THR A 117 -18.183 9.618 -8.064 1.00 72.15 H new ATOM 0 HB THR A 117 -17.568 12.314 -8.724 1.00 71.40 H new ATOM 0 HG1 THR A 117 -15.557 12.201 -9.411 1.00 55.41 H new ATOM 0 HG21 THR A 117 -16.575 12.344 -6.464 1.00 51.41 H new ATOM 0 HG22 THR A 117 -18.125 11.470 -6.491 1.00 51.41 H new ATOM 0 HG23 THR A 117 -16.594 10.565 -6.438 1.00 51.41 H new ATOM 1792 N ARG A 118 -18.565 11.467 -10.796 1.00 70.13 N ATOM 1793 CA ARG A 118 -19.554 11.967 -11.744 1.00 13.43 C ATOM 1794 C ARG A 118 -20.622 12.791 -11.032 1.00 53.02 C ATOM 1795 O ARG A 118 -21.766 12.366 -10.874 1.00 61.15 O ATOM 1796 CB ARG A 118 -20.207 10.804 -12.493 1.00 2.31 C ATOM 1797 CG ARG A 118 -20.765 11.191 -13.853 1.00 22.24 C ATOM 1798 CD ARG A 118 -21.941 10.311 -14.244 1.00 75.00 C ATOM 1799 NE ARG A 118 -21.607 9.406 -15.341 1.00 2.24 N ATOM 1800 CZ ARG A 118 -21.383 9.812 -16.585 1.00 11.32 C ATOM 1801 NH1 ARG A 118 -21.457 11.100 -16.890 1.00 0.02 N ATOM 1802 NH2 ARG A 118 -21.083 8.927 -17.528 1.00 52.33 N ATOM 0 H ARG A 118 -17.618 11.813 -10.951 1.00 70.13 H new ATOM 0 HA ARG A 118 -19.042 12.610 -12.460 1.00 13.43 H new ATOM 0 HB2 ARG A 118 -19.472 10.009 -12.624 1.00 2.31 H new ATOM 0 HB3 ARG A 118 -21.012 10.396 -11.882 1.00 2.31 H new ATOM 0 HG2 ARG A 118 -21.080 12.234 -13.835 1.00 22.24 H new ATOM 0 HG3 ARG A 118 -19.981 11.108 -14.606 1.00 22.24 H new ATOM 0 HD2 ARG A 118 -22.262 9.730 -13.380 1.00 75.00 H new ATOM 0 HD3 ARG A 118 -22.783 10.939 -14.536 1.00 75.00 H new ATOM 0 HE ARG A 118 -21.542 8.408 -15.140 1.00 2.24 H new ATOM 0 HH11 ARG A 118 -21.687 11.783 -16.168 1.00 0.02 H new ATOM 0 HH12 ARG A 118 -21.284 11.408 -17.847 1.00 0.02 H new ATOM 0 HH21 ARG A 118 -21.025 7.935 -17.297 1.00 52.33 H new ATOM 0 HH22 ARG A 118 -20.911 9.239 -18.484 1.00 52.33 H new ATOM 1816 N PRO A 119 -20.241 14.000 -10.592 1.00 22.04 N ATOM 1817 CA PRO A 119 -21.151 14.910 -9.889 1.00 2.41 C ATOM 1818 C PRO A 119 -22.228 15.475 -10.809 1.00 64.34 C ATOM 1819 O PRO A 119 -23.421 15.275 -10.580 1.00 21.24 O ATOM 1820 CB PRO A 119 -20.227 16.026 -9.397 1.00 25.14 C ATOM 1821 CG PRO A 119 -19.075 16.008 -10.342 1.00 21.41 C ATOM 1822 CD PRO A 119 -18.893 14.571 -10.745 1.00 33.44 C ATOM 0 HA PRO A 119 -21.695 14.407 -9.090 1.00 2.41 H new ATOM 0 HB2 PRO A 119 -20.732 16.992 -9.407 1.00 25.14 H new ATOM 0 HB3 PRO A 119 -19.901 15.847 -8.372 1.00 25.14 H new ATOM 0 HG2 PRO A 119 -19.273 16.635 -11.211 1.00 21.41 H new ATOM 0 HG3 PRO A 119 -18.174 16.397 -9.867 1.00 21.41 H new ATOM 0 HD2 PRO A 119 -18.534 14.484 -11.770 1.00 33.44 H new ATOM 0 HD3 PRO A 119 -18.167 14.064 -10.109 1.00 33.44 H new TER 1830 PRO A 119