USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 870 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 57 THR OG1 : rot 97:sc= 1.85 USER MOD Set 1.2: A 128 HIS : +bothHN:sc= -3.59 K(o=-1.7,f=-8.8!) USER MOD Set 2.1: A 73 THR OG1 : rot -78:sc= 0.243 USER MOD Set 2.2: A 76 HIS : no HD1:sc= -1.29 X(o=-1,f=-0.84) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00357 USER MOD Single : A 40 SER OG : rot 160:sc= -1.56! USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -113:sc= -0.407 (180deg=-4.14!) USER MOD Single : A 45 MET CE :methyl -146:sc= -8.23! (180deg=-11.2!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.225 F(o=-1.1,f=-0.23) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 1.15 (180deg=1.13) USER MOD Single : A 52 THR OG1 : rot -76:sc= 0.331 USER MOD Single : A 54 SER OG : rot 180:sc= 0.042 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -5.21! C(o=-5.2!,f=-8.6!) USER MOD Single : A 61 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.15) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= 1.08 (180deg=0.767) USER MOD Single : A 71 GLN :FLIP amide:sc= -8.86! C(o=-9.4!,f=-8.9!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 82 MET CE :methyl -160:sc= -0.212 (180deg=-0.91) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.43 F(o=-2.3!,f=-1.4) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.382 F(o=-1.2,f=-0.38) USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= -0.0243 (180deg=-0.204) USER MOD Single : A 99 CYS SG : rot 45:sc= 0.248 USER MOD Single : A 100 MET CE :methyl -116:sc= -2.78 (180deg=-3.59!) USER MOD Single : A 101 SER OG : rot 180:sc= 0.121 USER MOD Single : A 106 CYS SG : rot -20:sc= -0.332 USER MOD Single : A 110 LYS NZ :NH3+ 155:sc= 0.737 (180deg=-0.749!) USER MOD Single : A 112 CYS SG : rot 180:sc= -0.103 USER MOD Single : A 133 GLN : amide:sc= -0.944! X(o=-0.94!,f=-1.1) USER MOD Single : A 134 LYS NZ :NH3+ 158:sc= 1.19 (180deg=0.842) USER MOD Single : A 138 LYS NZ :NH3+ 170:sc= -0.397! (180deg=-0.66!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 29 -39.899 1.329 -5.462 1.00 15.50 N ATOM 2 CA MET A 29 -38.572 1.154 -4.826 1.00 14.89 C ATOM 3 C MET A 29 -38.723 0.864 -3.343 1.00 14.63 C ATOM 4 O MET A 29 -39.672 1.317 -2.702 1.00 14.97 O ATOM 5 CB MET A 29 -37.704 2.400 -5.019 1.00 14.83 C ATOM 6 CG MET A 29 -37.129 2.541 -6.417 1.00 15.02 C ATOM 7 SD MET A 29 -38.395 2.780 -7.680 1.00 15.45 S ATOM 8 CE MET A 29 -37.378 2.877 -9.152 1.00 15.28 C ATOM 0 HA MET A 29 -38.083 0.307 -5.307 1.00 14.89 H new ATOM 0 HB2 MET A 29 -38.300 3.284 -4.791 1.00 14.83 H new ATOM 0 HB3 MET A 29 -36.884 2.374 -4.301 1.00 14.83 H new ATOM 0 HG2 MET A 29 -36.440 3.385 -6.437 1.00 15.02 H new ATOM 0 HG3 MET A 29 -36.548 1.650 -6.657 1.00 15.02 H new ATOM 0 HE1 MET A 29 -38.014 3.025 -10.025 1.00 15.28 H new ATOM 0 HE2 MET A 29 -36.686 3.714 -9.062 1.00 15.28 H new ATOM 0 HE3 MET A 29 -36.814 1.951 -9.267 1.00 15.28 H new ATOM 20 N GLU A 30 -37.790 0.103 -2.802 1.00 14.20 N ATOM 21 CA GLU A 30 -37.776 -0.201 -1.384 1.00 14.13 C ATOM 22 C GLU A 30 -36.975 0.857 -0.634 1.00 14.36 C ATOM 23 O GLU A 30 -35.750 0.902 -0.719 1.00 14.15 O ATOM 24 CB GLU A 30 -37.208 -1.609 -1.126 1.00 13.38 C ATOM 25 CG GLU A 30 -35.882 -1.916 -1.826 1.00 12.84 C ATOM 26 CD GLU A 30 -36.026 -2.130 -3.323 1.00 13.13 C ATOM 27 OE1 GLU A 30 -36.370 -3.256 -3.738 1.00 13.36 O ATOM 28 OE2 GLU A 30 -35.808 -1.169 -4.091 1.00 13.30 O ATOM 0 H GLU A 30 -37.026 -0.319 -3.329 1.00 14.20 H new ATOM 0 HA GLU A 30 -38.802 -0.189 -1.015 1.00 14.13 H new ATOM 0 HB2 GLU A 30 -37.072 -1.737 -0.052 1.00 13.38 H new ATOM 0 HB3 GLU A 30 -37.947 -2.345 -1.443 1.00 13.38 H new ATOM 0 HG2 GLU A 30 -35.187 -1.095 -1.649 1.00 12.84 H new ATOM 0 HG3 GLU A 30 -35.442 -2.808 -1.380 1.00 12.84 H new ATOM 35 N CYS A 31 -37.675 1.728 0.077 1.00 14.95 N ATOM 36 CA CYS A 31 -37.029 2.828 0.779 1.00 15.43 C ATOM 37 C CYS A 31 -36.949 2.549 2.275 1.00 15.40 C ATOM 38 O CYS A 31 -36.285 3.273 3.018 1.00 15.27 O ATOM 39 CB CYS A 31 -37.779 4.137 0.522 1.00 16.40 C ATOM 40 SG CYS A 31 -37.884 4.586 -1.225 1.00 17.05 S ATOM 0 H CYS A 31 -38.689 1.695 0.183 1.00 14.95 H new ATOM 0 HA CYS A 31 -36.013 2.924 0.397 1.00 15.43 H new ATOM 0 HB2 CYS A 31 -38.787 4.053 0.927 1.00 16.40 H new ATOM 0 HB3 CYS A 31 -37.283 4.942 1.065 1.00 16.40 H new ATOM 0 HG CYS A 31 -38.536 5.704 -1.347 1.00 17.05 H new ATOM 46 N ALA A 32 -37.631 1.498 2.714 1.00 15.67 N ATOM 47 CA ALA A 32 -37.550 1.073 4.104 1.00 15.86 C ATOM 48 C ALA A 32 -36.151 0.552 4.407 1.00 15.04 C ATOM 49 O ALA A 32 -35.619 0.755 5.501 1.00 15.00 O ATOM 50 CB ALA A 32 -38.594 0.008 4.396 1.00 16.57 C ATOM 0 H ALA A 32 -38.243 0.928 2.130 1.00 15.67 H new ATOM 0 HA ALA A 32 -37.751 1.930 4.747 1.00 15.86 H new ATOM 0 HB1 ALA A 32 -38.519 -0.298 5.439 1.00 16.57 H new ATOM 0 HB2 ALA A 32 -39.589 0.412 4.207 1.00 16.57 H new ATOM 0 HB3 ALA A 32 -38.424 -0.855 3.752 1.00 16.57 H new ATOM 56 N ASP A 33 -35.574 -0.121 3.420 1.00 14.54 N ATOM 57 CA ASP A 33 -34.191 -0.575 3.476 1.00 13.85 C ATOM 58 C ASP A 33 -33.768 -1.083 2.108 1.00 12.87 C ATOM 59 O ASP A 33 -33.950 -2.258 1.788 1.00 12.61 O ATOM 60 CB ASP A 33 -33.988 -1.678 4.521 1.00 14.29 C ATOM 61 CG ASP A 33 -32.549 -2.161 4.567 1.00 14.46 C ATOM 62 OD1 ASP A 33 -31.660 -1.359 4.915 1.00 14.55 O ATOM 63 OD2 ASP A 33 -32.300 -3.349 4.263 1.00 14.65 O ATOM 0 H ASP A 33 -36.054 -0.368 2.555 1.00 14.54 H new ATOM 0 HA ASP A 33 -33.575 0.274 3.770 1.00 13.85 H new ATOM 0 HB2 ASP A 33 -34.276 -1.304 5.503 1.00 14.29 H new ATOM 0 HB3 ASP A 33 -34.645 -2.518 4.294 1.00 14.29 H new ATOM 68 N VAL A 34 -33.238 -0.182 1.297 1.00 12.51 N ATOM 69 CA VAL A 34 -32.777 -0.536 -0.035 1.00 11.75 C ATOM 70 C VAL A 34 -31.430 -1.253 0.044 1.00 10.55 C ATOM 71 O VAL A 34 -30.468 -0.731 0.611 1.00 10.22 O ATOM 72 CB VAL A 34 -32.676 0.712 -0.954 1.00 12.12 C ATOM 73 CG1 VAL A 34 -31.770 1.779 -0.353 1.00 12.06 C ATOM 74 CG2 VAL A 34 -32.200 0.323 -2.347 1.00 12.37 C ATOM 0 H VAL A 34 -33.116 0.801 1.539 1.00 12.51 H new ATOM 0 HA VAL A 34 -33.512 -1.211 -0.475 1.00 11.75 H new ATOM 0 HB VAL A 34 -33.676 1.138 -1.039 1.00 12.12 H new ATOM 0 HG11 VAL A 34 -31.724 2.637 -1.024 1.00 12.06 H new ATOM 0 HG12 VAL A 34 -32.169 2.094 0.611 1.00 12.06 H new ATOM 0 HG13 VAL A 34 -30.769 1.371 -0.216 1.00 12.06 H new ATOM 0 HG21 VAL A 34 -32.137 1.214 -2.972 1.00 12.37 H new ATOM 0 HG22 VAL A 34 -31.217 -0.142 -2.279 1.00 12.37 H new ATOM 0 HG23 VAL A 34 -32.905 -0.381 -2.789 1.00 12.37 H new ATOM 84 N PRO A 35 -31.359 -2.486 -0.481 1.00 10.03 N ATOM 85 CA PRO A 35 -30.122 -3.264 -0.484 1.00 8.95 C ATOM 86 C PRO A 35 -29.003 -2.552 -1.222 1.00 8.28 C ATOM 87 O PRO A 35 -29.141 -2.182 -2.389 1.00 8.57 O ATOM 88 CB PRO A 35 -30.502 -4.552 -1.215 1.00 9.02 C ATOM 89 CG PRO A 35 -31.977 -4.644 -1.062 1.00 10.14 C ATOM 90 CD PRO A 35 -32.473 -3.227 -1.091 1.00 10.65 C ATOM 0 HA PRO A 35 -29.747 -3.431 0.526 1.00 8.95 H new ATOM 0 HB2 PRO A 35 -30.213 -4.512 -2.265 1.00 9.02 H new ATOM 0 HB3 PRO A 35 -30.003 -5.418 -0.780 1.00 9.02 H new ATOM 0 HG2 PRO A 35 -32.419 -5.231 -1.867 1.00 10.14 H new ATOM 0 HG3 PRO A 35 -32.245 -5.134 -0.126 1.00 10.14 H new ATOM 0 HD2 PRO A 35 -32.677 -2.889 -2.107 1.00 10.65 H new ATOM 0 HD3 PRO A 35 -33.397 -3.109 -0.525 1.00 10.65 H new ATOM 98 N LEU A 36 -27.901 -2.361 -0.527 1.00 7.62 N ATOM 99 CA LEU A 36 -26.727 -1.738 -1.110 1.00 7.19 C ATOM 100 C LEU A 36 -25.558 -2.708 -1.068 1.00 6.10 C ATOM 101 O LEU A 36 -25.689 -3.825 -0.565 1.00 6.10 O ATOM 102 CB LEU A 36 -26.361 -0.447 -0.367 1.00 7.86 C ATOM 103 CG LEU A 36 -27.413 0.664 -0.417 1.00 8.90 C ATOM 104 CD1 LEU A 36 -26.953 1.863 0.396 1.00 9.33 C ATOM 105 CD2 LEU A 36 -27.690 1.076 -1.856 1.00 9.55 C ATOM 0 H LEU A 36 -27.792 -2.630 0.451 1.00 7.62 H new ATOM 0 HA LEU A 36 -26.952 -1.482 -2.145 1.00 7.19 H new ATOM 0 HB2 LEU A 36 -26.166 -0.692 0.677 1.00 7.86 H new ATOM 0 HB3 LEU A 36 -25.430 -0.061 -0.783 1.00 7.86 H new ATOM 0 HG LEU A 36 -28.338 0.282 0.015 1.00 8.90 H new ATOM 0 HD11 LEU A 36 -27.711 2.645 0.351 1.00 9.33 H new ATOM 0 HD12 LEU A 36 -26.802 1.563 1.433 1.00 9.33 H new ATOM 0 HD13 LEU A 36 -26.016 2.242 -0.013 1.00 9.33 H new ATOM 0 HD21 LEU A 36 -28.440 1.867 -1.870 1.00 9.55 H new ATOM 0 HD22 LEU A 36 -26.770 1.440 -2.314 1.00 9.55 H new ATOM 0 HD23 LEU A 36 -28.058 0.216 -2.416 1.00 9.55 H new ATOM 117 N LEU A 37 -24.419 -2.287 -1.588 1.00 5.42 N ATOM 118 CA LEU A 37 -23.233 -3.122 -1.571 1.00 4.46 C ATOM 119 C LEU A 37 -22.626 -3.133 -0.176 1.00 3.64 C ATOM 120 O LEU A 37 -22.881 -2.235 0.632 1.00 3.66 O ATOM 121 CB LEU A 37 -22.221 -2.641 -2.625 1.00 4.57 C ATOM 122 CG LEU A 37 -21.711 -1.200 -2.473 1.00 4.91 C ATOM 123 CD1 LEU A 37 -20.544 -1.129 -1.496 1.00 5.34 C ATOM 124 CD2 LEU A 37 -21.315 -0.633 -3.829 1.00 5.26 C ATOM 0 H LEU A 37 -24.291 -1.375 -2.026 1.00 5.42 H new ATOM 0 HA LEU A 37 -23.511 -4.145 -1.826 1.00 4.46 H new ATOM 0 HB2 LEU A 37 -21.362 -3.312 -2.605 1.00 4.57 H new ATOM 0 HB3 LEU A 37 -22.679 -2.739 -3.609 1.00 4.57 H new ATOM 0 HG LEU A 37 -22.521 -0.594 -2.066 1.00 4.91 H new ATOM 0 HD11 LEU A 37 -20.205 -0.097 -1.409 1.00 5.34 H new ATOM 0 HD12 LEU A 37 -20.865 -1.489 -0.519 1.00 5.34 H new ATOM 0 HD13 LEU A 37 -19.726 -1.750 -1.860 1.00 5.34 H new ATOM 0 HD21 LEU A 37 -20.956 0.389 -3.705 1.00 5.26 H new ATOM 0 HD22 LEU A 37 -20.525 -1.246 -4.263 1.00 5.26 H new ATOM 0 HD23 LEU A 37 -22.181 -0.635 -4.491 1.00 5.26 H new ATOM 136 N THR A 38 -21.852 -4.157 0.115 1.00 3.22 N ATOM 137 CA THR A 38 -21.195 -4.267 1.400 1.00 2.61 C ATOM 138 C THR A 38 -19.736 -3.891 1.263 1.00 1.98 C ATOM 139 O THR A 38 -19.068 -4.324 0.321 1.00 2.04 O ATOM 140 CB THR A 38 -21.308 -5.694 1.966 1.00 2.96 C ATOM 141 OG1 THR A 38 -22.085 -6.516 1.079 1.00 3.50 O ATOM 142 CG2 THR A 38 -21.960 -5.669 3.337 1.00 3.43 C ATOM 0 H THR A 38 -21.662 -4.929 -0.524 1.00 3.22 H new ATOM 0 HA THR A 38 -21.690 -3.585 2.091 1.00 2.61 H new ATOM 0 HB THR A 38 -20.305 -6.110 2.058 1.00 2.96 H new ATOM 0 HG1 THR A 38 -22.150 -7.422 1.446 1.00 3.50 H new ATOM 0 HG21 THR A 38 -22.033 -6.685 3.724 1.00 3.43 H new ATOM 0 HG22 THR A 38 -21.358 -5.065 4.015 1.00 3.43 H new ATOM 0 HG23 THR A 38 -22.958 -5.239 3.257 1.00 3.43 H new ATOM 150 N PRO A 39 -19.237 -3.037 2.168 1.00 1.65 N ATOM 151 CA PRO A 39 -17.824 -2.665 2.215 1.00 1.21 C ATOM 152 C PRO A 39 -16.954 -3.846 2.617 1.00 1.17 C ATOM 153 O PRO A 39 -16.301 -3.822 3.651 1.00 1.62 O ATOM 154 CB PRO A 39 -17.766 -1.565 3.291 1.00 1.47 C ATOM 155 CG PRO A 39 -19.178 -1.137 3.495 1.00 1.97 C ATOM 156 CD PRO A 39 -20.014 -2.349 3.207 1.00 2.07 C ATOM 0 HA PRO A 39 -17.452 -2.335 1.245 1.00 1.21 H new ATOM 0 HB2 PRO A 39 -17.332 -1.943 4.217 1.00 1.47 H new ATOM 0 HB3 PRO A 39 -17.145 -0.730 2.966 1.00 1.47 H new ATOM 0 HG2 PRO A 39 -19.337 -0.785 4.514 1.00 1.97 H new ATOM 0 HG3 PRO A 39 -19.438 -0.314 2.829 1.00 1.97 H new ATOM 0 HD2 PRO A 39 -20.145 -2.970 4.093 1.00 2.07 H new ATOM 0 HD3 PRO A 39 -21.010 -2.080 2.856 1.00 2.07 H new ATOM 164 N SER A 40 -16.958 -4.878 1.795 1.00 0.90 N ATOM 165 CA SER A 40 -16.304 -6.121 2.135 1.00 0.95 C ATOM 166 C SER A 40 -14.944 -6.256 1.460 1.00 0.90 C ATOM 167 O SER A 40 -13.929 -6.424 2.137 1.00 0.97 O ATOM 168 CB SER A 40 -17.199 -7.299 1.750 1.00 1.11 C ATOM 169 OG SER A 40 -18.480 -7.188 2.353 1.00 1.74 O ATOM 0 H SER A 40 -17.411 -4.876 0.881 1.00 0.90 H new ATOM 0 HA SER A 40 -16.135 -6.122 3.212 1.00 0.95 H new ATOM 0 HB2 SER A 40 -17.306 -7.339 0.666 1.00 1.11 H new ATOM 0 HB3 SER A 40 -16.729 -8.233 2.058 1.00 1.11 H new ATOM 0 HG SER A 40 -19.122 -7.743 1.863 1.00 1.74 H new ATOM 175 N SER A 41 -14.906 -6.176 0.133 1.00 0.87 N ATOM 176 CA SER A 41 -13.693 -6.547 -0.577 1.00 0.90 C ATOM 177 C SER A 41 -12.704 -5.388 -0.700 1.00 0.76 C ATOM 178 O SER A 41 -11.666 -5.395 -0.041 1.00 0.83 O ATOM 179 CB SER A 41 -14.061 -7.074 -1.966 1.00 1.08 C ATOM 180 OG SER A 41 -15.113 -8.023 -1.885 1.00 1.76 O ATOM 0 H SER A 41 -15.679 -5.866 -0.456 1.00 0.87 H new ATOM 0 HA SER A 41 -13.196 -7.324 0.003 1.00 0.90 H new ATOM 0 HB2 SER A 41 -14.362 -6.245 -2.606 1.00 1.08 H new ATOM 0 HB3 SER A 41 -13.187 -7.532 -2.429 1.00 1.08 H new ATOM 0 HG SER A 41 -15.333 -8.345 -2.784 1.00 1.76 H new ATOM 186 N LYS A 42 -13.010 -4.385 -1.518 1.00 0.66 N ATOM 187 CA LYS A 42 -12.125 -3.231 -1.622 1.00 0.58 C ATOM 188 C LYS A 42 -12.513 -2.122 -0.666 1.00 0.51 C ATOM 189 O LYS A 42 -11.660 -1.375 -0.207 1.00 0.55 O ATOM 190 CB LYS A 42 -12.067 -2.668 -3.037 1.00 0.62 C ATOM 191 CG LYS A 42 -10.813 -1.835 -3.277 1.00 0.61 C ATOM 192 CD LYS A 42 -10.871 -1.094 -4.600 1.00 0.86 C ATOM 193 CE LYS A 42 -9.569 -0.361 -4.881 1.00 1.40 C ATOM 194 NZ LYS A 42 -9.609 0.347 -6.186 1.00 1.90 N ATOM 0 H LYS A 42 -13.843 -4.347 -2.105 1.00 0.66 H new ATOM 0 HA LYS A 42 -11.137 -3.602 -1.351 1.00 0.58 H new ATOM 0 HB2 LYS A 42 -12.098 -3.489 -3.754 1.00 0.62 H new ATOM 0 HB3 LYS A 42 -12.949 -2.053 -3.218 1.00 0.62 H new ATOM 0 HG2 LYS A 42 -10.692 -1.119 -2.465 1.00 0.61 H new ATOM 0 HG3 LYS A 42 -9.938 -2.484 -3.262 1.00 0.61 H new ATOM 0 HD2 LYS A 42 -11.075 -1.799 -5.406 1.00 0.86 H new ATOM 0 HD3 LYS A 42 -11.696 -0.381 -4.584 1.00 0.86 H new ATOM 0 HE2 LYS A 42 -9.376 0.356 -4.083 1.00 1.40 H new ATOM 0 HE3 LYS A 42 -8.743 -1.072 -4.878 1.00 1.40 H new ATOM 0 HZ1 LYS A 42 -8.704 0.835 -6.344 1.00 1.90 H new ATOM 0 HZ2 LYS A 42 -9.769 -0.341 -6.949 1.00 1.90 H new ATOM 0 HZ3 LYS A 42 -10.382 1.043 -6.180 1.00 1.90 H new ATOM 208 N GLU A 43 -13.799 -1.996 -0.368 1.00 0.48 N ATOM 209 CA GLU A 43 -14.281 -0.820 0.341 1.00 0.47 C ATOM 210 C GLU A 43 -13.621 -0.697 1.711 1.00 0.41 C ATOM 211 O GLU A 43 -13.464 0.408 2.221 1.00 0.42 O ATOM 212 CB GLU A 43 -15.799 -0.841 0.464 1.00 0.57 C ATOM 213 CG GLU A 43 -16.401 0.494 0.889 1.00 1.04 C ATOM 214 CD GLU A 43 -16.043 1.635 -0.046 1.00 1.57 C ATOM 215 OE1 GLU A 43 -15.672 1.361 -1.207 1.00 1.68 O ATOM 216 OE2 GLU A 43 -16.128 2.808 0.372 1.00 2.23 O ATOM 0 H GLU A 43 -14.517 -2.682 -0.602 1.00 0.48 H new ATOM 0 HA GLU A 43 -14.005 0.059 -0.242 1.00 0.47 H new ATOM 0 HB2 GLU A 43 -16.228 -1.133 -0.495 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -16.085 -1.605 1.187 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -17.486 0.398 0.936 1.00 1.04 H new ATOM 0 HG3 GLU A 43 -16.059 0.736 1.895 1.00 1.04 H new ATOM 223 N MET A 44 -13.231 -1.831 2.296 1.00 0.41 N ATOM 224 CA MET A 44 -12.396 -1.823 3.493 1.00 0.41 C ATOM 225 C MET A 44 -11.179 -0.924 3.299 1.00 0.31 C ATOM 226 O MET A 44 -10.975 0.016 4.057 1.00 0.28 O ATOM 227 CB MET A 44 -11.946 -3.242 3.857 1.00 0.50 C ATOM 228 CG MET A 44 -13.050 -4.079 4.471 1.00 0.82 C ATOM 229 SD MET A 44 -13.649 -3.398 6.029 1.00 1.59 S ATOM 230 CE MET A 44 -15.127 -4.382 6.250 1.00 1.62 C ATOM 0 H MET A 44 -13.480 -2.761 1.960 1.00 0.41 H new ATOM 0 HA MET A 44 -12.996 -1.428 4.313 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.577 -3.740 2.961 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.112 -3.184 4.556 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.880 -4.152 3.768 1.00 0.82 H new ATOM 0 HG3 MET A 44 -12.683 -5.092 4.638 1.00 0.82 H new ATOM 0 HE1 MET A 44 -16.006 -3.743 6.163 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.165 -5.158 5.485 1.00 1.62 H new ATOM 0 HE3 MET A 44 -15.111 -4.846 7.236 1.00 1.62 H new ATOM 240 N MET A 45 -10.373 -1.207 2.282 1.00 0.28 N ATOM 241 CA MET A 45 -9.211 -0.370 1.990 1.00 0.22 C ATOM 242 C MET A 45 -9.627 0.998 1.465 1.00 0.20 C ATOM 243 O MET A 45 -8.956 1.989 1.718 1.00 0.20 O ATOM 244 CB MET A 45 -8.268 -1.036 0.988 1.00 0.24 C ATOM 245 CG MET A 45 -8.839 -1.146 -0.414 1.00 0.32 C ATOM 246 SD MET A 45 -7.931 -2.291 -1.460 1.00 0.98 S ATOM 247 CE MET A 45 -6.320 -1.528 -1.426 1.00 0.22 C ATOM 0 H MET A 45 -10.498 -1.999 1.652 1.00 0.28 H new ATOM 0 HA MET A 45 -8.679 -0.240 2.933 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.338 -0.469 0.947 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.018 -2.034 1.347 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.879 -1.467 -0.352 1.00 0.32 H new ATOM 0 HG3 MET A 45 -8.837 -0.160 -0.879 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.828 -1.675 -2.387 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.427 -0.461 -1.232 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.719 -1.981 -0.638 1.00 0.22 H new ATOM 257 N SER A 46 -10.714 1.059 0.720 1.00 0.24 N ATOM 258 CA SER A 46 -11.183 2.329 0.203 1.00 0.30 C ATOM 259 C SER A 46 -11.461 3.295 1.355 1.00 0.27 C ATOM 260 O SER A 46 -11.048 4.452 1.319 1.00 0.30 O ATOM 261 CB SER A 46 -12.424 2.130 -0.664 1.00 0.39 C ATOM 262 OG SER A 46 -12.694 3.282 -1.446 1.00 0.53 O ATOM 0 H SER A 46 -11.283 0.253 0.462 1.00 0.24 H new ATOM 0 HA SER A 46 -10.406 2.763 -0.425 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.280 1.269 -1.317 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.282 1.909 -0.030 1.00 0.39 H new ATOM 0 HG SER A 46 -13.492 3.127 -1.993 1.00 0.53 H new ATOM 268 N GLN A 47 -12.152 2.820 2.385 1.00 0.25 N ATOM 269 CA GLN A 47 -12.380 3.638 3.563 1.00 0.27 C ATOM 270 C GLN A 47 -11.129 3.719 4.448 1.00 0.24 C ATOM 271 O GLN A 47 -10.720 4.807 4.836 1.00 0.29 O ATOM 272 CB GLN A 47 -13.598 3.152 4.366 1.00 0.30 C ATOM 273 CG GLN A 47 -13.453 1.759 4.969 1.00 0.33 C ATOM 274 CD GLN A 47 -14.660 1.338 5.788 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.318 2.301 6.413 1.00 1.10 O flip ATOM 276 NE2 GLN A 47 -14.988 0.156 5.872 1.00 1.11 N flip ATOM 0 H GLN A 47 -12.558 1.885 2.426 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.600 4.646 3.212 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.792 3.862 5.170 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.472 3.161 3.715 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.295 1.037 4.168 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.565 1.733 5.601 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -14.455 -0.558 5.375 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -15.793 -0.111 6.439 1.00 1.11 H new ATOM 285 N ALA A 48 -10.526 2.570 4.769 1.00 0.21 N ATOM 286 CA ALA A 48 -9.400 2.536 5.704 1.00 0.22 C ATOM 287 C ALA A 48 -8.113 3.065 5.094 1.00 0.20 C ATOM 288 O ALA A 48 -7.520 3.996 5.629 1.00 0.22 O ATOM 289 CB ALA A 48 -9.174 1.128 6.228 1.00 0.24 C ATOM 0 H ALA A 48 -10.797 1.659 4.398 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.669 3.195 6.529 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.332 1.128 6.921 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.070 0.784 6.745 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -8.958 0.460 5.394 1.00 0.24 H new ATOM 295 N LEU A 49 -7.695 2.508 3.958 1.00 0.18 N ATOM 296 CA LEU A 49 -6.405 2.852 3.368 1.00 0.18 C ATOM 297 C LEU A 49 -6.407 4.268 2.867 1.00 0.19 C ATOM 298 O LEU A 49 -5.563 5.079 3.237 1.00 0.21 O ATOM 299 CB LEU A 49 -6.080 1.948 2.175 1.00 0.23 C ATOM 300 CG LEU A 49 -4.980 0.925 2.396 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.644 0.273 1.072 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.746 1.566 3.021 1.00 0.58 C ATOM 0 H LEU A 49 -8.230 1.819 3.430 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.660 2.723 4.153 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -6.989 1.419 1.887 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.798 2.579 1.332 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.331 0.166 3.095 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.855 -0.464 1.219 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.531 -0.220 0.674 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.304 1.033 0.368 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -2.976 0.808 3.167 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.367 2.346 2.360 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.011 2.003 3.984 1.00 0.58 H new ATOM 314 N LYS A 50 -7.357 4.556 2.006 1.00 0.19 N ATOM 315 CA LYS A 50 -7.383 5.818 1.313 1.00 0.21 C ATOM 316 C LYS A 50 -7.498 6.979 2.310 1.00 0.23 C ATOM 317 O LYS A 50 -7.044 8.092 2.043 1.00 0.27 O ATOM 318 CB LYS A 50 -8.517 5.821 0.292 1.00 0.22 C ATOM 319 CG LYS A 50 -8.553 4.552 -0.558 1.00 0.20 C ATOM 320 CD LYS A 50 -7.235 4.324 -1.292 1.00 0.21 C ATOM 321 CE LYS A 50 -7.020 5.352 -2.389 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.755 4.996 -3.629 1.00 0.55 N ATOM 0 H LYS A 50 -8.125 3.927 1.770 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.447 5.956 0.772 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.468 5.931 0.813 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.409 6.687 -0.361 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.767 3.694 0.079 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.365 4.622 -1.282 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.410 4.371 -0.582 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.227 3.323 -1.724 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.349 6.331 -2.040 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -5.955 5.433 -2.608 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.557 5.703 -4.365 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.448 4.058 -3.958 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.776 4.977 -3.434 1.00 0.55 H new ATOM 336 N ALA A 51 -8.115 6.704 3.457 1.00 0.22 N ATOM 337 CA ALA A 51 -8.182 7.664 4.553 1.00 0.23 C ATOM 338 C ALA A 51 -6.887 7.715 5.368 1.00 0.23 C ATOM 339 O ALA A 51 -6.437 8.794 5.756 1.00 0.26 O ATOM 340 CB ALA A 51 -9.348 7.348 5.467 1.00 0.25 C ATOM 0 H ALA A 51 -8.579 5.816 3.651 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.326 8.645 4.101 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.382 8.075 6.279 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.278 7.394 4.900 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.225 6.347 5.881 1.00 0.25 H new ATOM 346 N THR A 52 -6.296 6.551 5.639 1.00 0.21 N ATOM 347 CA THR A 52 -5.168 6.463 6.570 1.00 0.22 C ATOM 348 C THR A 52 -3.882 7.027 5.981 1.00 0.21 C ATOM 349 O THR A 52 -2.903 7.216 6.697 1.00 0.23 O ATOM 350 CB THR A 52 -4.909 5.005 7.031 1.00 0.22 C ATOM 351 OG1 THR A 52 -3.896 4.984 8.045 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.470 4.118 5.871 1.00 0.18 C ATOM 0 H THR A 52 -6.577 5.660 5.230 1.00 0.21 H new ATOM 0 HA THR A 52 -5.455 7.068 7.430 1.00 0.22 H new ATOM 0 HB THR A 52 -5.846 4.616 7.428 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.016 5.107 7.631 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.298 3.104 6.233 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.249 4.104 5.109 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.549 4.511 5.441 1.00 0.18 H new ATOM 360 N PHE A 53 -3.888 7.326 4.692 1.00 0.23 N ATOM 361 CA PHE A 53 -2.665 7.717 4.003 1.00 0.27 C ATOM 362 C PHE A 53 -1.974 8.913 4.646 1.00 0.32 C ATOM 363 O PHE A 53 -0.768 9.086 4.481 1.00 0.34 O ATOM 364 CB PHE A 53 -2.925 8.001 2.528 1.00 0.31 C ATOM 365 CG PHE A 53 -3.254 6.773 1.745 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.601 5.584 1.993 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.224 6.807 0.760 1.00 0.36 C ATOM 368 CE1 PHE A 53 -2.907 4.452 1.271 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.533 5.677 0.035 1.00 0.39 C ATOM 370 CZ PHE A 53 -3.856 4.488 0.295 1.00 0.38 C ATOM 0 H PHE A 53 -4.720 7.306 4.103 1.00 0.23 H new ATOM 0 HA PHE A 53 -1.991 6.865 4.091 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.747 8.712 2.440 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -2.045 8.476 2.095 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -1.843 5.540 2.761 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.746 7.731 0.557 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.390 3.527 1.481 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.295 5.713 -0.730 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.083 3.599 -0.275 1.00 0.38 H new ATOM 380 N SER A 54 -2.723 9.717 5.384 1.00 0.36 N ATOM 381 CA SER A 54 -2.153 10.856 6.083 1.00 0.44 C ATOM 382 C SER A 54 -1.164 10.410 7.161 1.00 0.39 C ATOM 383 O SER A 54 -0.363 11.203 7.645 1.00 0.46 O ATOM 384 CB SER A 54 -3.269 11.694 6.695 1.00 0.55 C ATOM 385 OG SER A 54 -4.280 10.867 7.254 1.00 1.37 O ATOM 0 H SER A 54 -3.728 9.601 5.514 1.00 0.36 H new ATOM 0 HA SER A 54 -1.603 11.461 5.363 1.00 0.44 H new ATOM 0 HB2 SER A 54 -2.858 12.344 7.467 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.703 12.340 5.932 1.00 0.55 H new ATOM 0 HG SER A 54 -4.984 11.428 7.642 1.00 1.37 H new ATOM 391 N GLY A 55 -1.246 9.146 7.556 1.00 0.31 N ATOM 392 CA GLY A 55 -0.298 8.605 8.502 1.00 0.28 C ATOM 393 C GLY A 55 1.114 8.517 7.955 1.00 0.22 C ATOM 394 O GLY A 55 1.998 9.248 8.399 1.00 0.25 O ATOM 0 H GLY A 55 -1.955 8.487 7.235 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.295 9.226 9.398 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.625 7.610 8.805 1.00 0.28 H new ATOM 398 N PHE A 56 1.333 7.654 6.968 1.00 0.15 N ATOM 399 CA PHE A 56 2.692 7.397 6.495 1.00 0.12 C ATOM 400 C PHE A 56 3.133 8.428 5.486 1.00 0.13 C ATOM 401 O PHE A 56 4.221 8.943 5.584 1.00 0.17 O ATOM 402 CB PHE A 56 2.839 6.013 5.876 1.00 0.13 C ATOM 403 CG PHE A 56 4.263 5.675 5.533 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.087 5.067 6.465 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.784 5.988 4.288 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.402 4.777 6.160 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.096 5.699 3.978 1.00 0.26 C ATOM 408 CZ PHE A 56 6.908 5.094 4.915 1.00 0.28 C ATOM 0 H PHE A 56 0.603 7.129 6.487 1.00 0.15 H new ATOM 0 HA PHE A 56 3.328 7.455 7.379 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.451 5.267 6.569 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.230 5.957 4.974 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.697 4.817 7.441 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.154 6.464 3.551 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.035 4.302 6.895 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.488 5.946 3.002 1.00 0.26 H new ATOM 0 HZ PHE A 56 7.937 4.869 4.675 1.00 0.28 H new ATOM 418 N THR A 57 2.286 8.716 4.513 1.00 0.16 N ATOM 419 CA THR A 57 2.645 9.644 3.435 1.00 0.24 C ATOM 420 C THR A 57 3.090 10.993 4.007 1.00 0.26 C ATOM 421 O THR A 57 3.901 11.705 3.415 1.00 0.35 O ATOM 422 CB THR A 57 1.463 9.876 2.487 1.00 0.32 C ATOM 423 OG1 THR A 57 0.700 8.667 2.353 1.00 0.39 O ATOM 424 CG2 THR A 57 1.945 10.325 1.117 1.00 0.46 C ATOM 0 H THR A 57 1.346 8.326 4.440 1.00 0.16 H new ATOM 0 HA THR A 57 3.467 9.191 2.880 1.00 0.24 H new ATOM 0 HB THR A 57 0.837 10.661 2.910 1.00 0.32 H new ATOM 0 HG1 THR A 57 -0.069 8.696 2.960 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.087 10.483 0.463 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.503 11.256 1.215 1.00 0.46 H new ATOM 0 HG23 THR A 57 2.591 9.558 0.689 1.00 0.46 H new ATOM 432 N LYS A 58 2.563 11.311 5.182 1.00 0.24 N ATOM 433 CA LYS A 58 2.906 12.543 5.873 1.00 0.31 C ATOM 434 C LYS A 58 4.240 12.368 6.592 1.00 0.29 C ATOM 435 O LYS A 58 5.082 13.265 6.597 1.00 0.31 O ATOM 436 CB LYS A 58 1.786 12.922 6.853 1.00 0.39 C ATOM 437 CG LYS A 58 2.019 14.188 7.672 1.00 0.50 C ATOM 438 CD LYS A 58 2.901 13.936 8.889 1.00 1.34 C ATOM 439 CE LYS A 58 2.328 12.856 9.797 1.00 1.93 C ATOM 440 NZ LYS A 58 1.084 13.293 10.480 1.00 2.52 N ATOM 0 H LYS A 58 1.891 10.726 5.678 1.00 0.24 H new ATOM 0 HA LYS A 58 3.009 13.355 5.153 1.00 0.31 H new ATOM 0 HB2 LYS A 58 0.861 13.042 6.289 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.634 12.090 7.541 1.00 0.39 H new ATOM 0 HG2 LYS A 58 2.483 14.946 7.041 1.00 0.50 H new ATOM 0 HG3 LYS A 58 1.059 14.589 7.998 1.00 0.50 H new ATOM 0 HD2 LYS A 58 3.897 13.641 8.559 1.00 1.34 H new ATOM 0 HD3 LYS A 58 3.013 14.862 9.453 1.00 1.34 H new ATOM 0 HE2 LYS A 58 2.121 11.962 9.208 1.00 1.93 H new ATOM 0 HE3 LYS A 58 3.072 12.581 10.544 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 0.732 12.524 11.086 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 1.284 14.130 11.064 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 0.363 13.531 9.769 1.00 2.52 H new ATOM 454 N GLU A 59 4.444 11.188 7.173 1.00 0.26 N ATOM 455 CA GLU A 59 5.642 10.945 7.962 1.00 0.25 C ATOM 456 C GLU A 59 6.785 10.587 7.028 1.00 0.21 C ATOM 457 O GLU A 59 7.948 10.723 7.363 1.00 0.24 O ATOM 458 CB GLU A 59 5.434 9.823 8.984 1.00 0.31 C ATOM 459 CG GLU A 59 5.972 8.479 8.527 1.00 0.43 C ATOM 460 CD GLU A 59 5.824 7.407 9.591 1.00 0.76 C ATOM 461 OE1 GLU A 59 4.735 6.795 9.684 1.00 0.97 O ATOM 462 OE2 GLU A 59 6.782 7.196 10.364 1.00 0.98 O ATOM 0 H GLU A 59 3.803 10.397 7.112 1.00 0.26 H new ATOM 0 HA GLU A 59 5.876 11.853 8.518 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.919 10.100 9.920 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.369 9.727 9.194 1.00 0.31 H new ATOM 0 HG2 GLU A 59 5.446 8.167 7.625 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.024 8.582 8.263 1.00 0.43 H new ATOM 469 N GLN A 60 6.416 10.106 5.862 1.00 0.19 N ATOM 470 CA GLN A 60 7.349 9.791 4.806 1.00 0.19 C ATOM 471 C GLN A 60 8.214 11.004 4.552 1.00 0.22 C ATOM 472 O GLN A 60 9.433 10.936 4.580 1.00 0.23 O ATOM 473 CB GLN A 60 6.559 9.428 3.556 1.00 0.21 C ATOM 474 CG GLN A 60 7.315 8.594 2.553 1.00 0.28 C ATOM 475 CD GLN A 60 6.406 8.114 1.448 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.208 7.916 1.655 1.00 0.90 O ATOM 477 NE2 GLN A 60 6.962 7.927 0.276 1.00 0.26 N ATOM 0 H GLN A 60 5.443 9.920 5.618 1.00 0.19 H new ATOM 0 HA GLN A 60 7.986 8.951 5.083 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.661 8.887 3.855 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.231 10.347 3.070 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.130 9.181 2.128 1.00 0.28 H new ATOM 0 HG3 GLN A 60 7.766 7.738 3.054 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.959 8.104 0.150 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.398 7.605 -0.510 1.00 0.26 H new ATOM 486 N GLN A 61 7.547 12.130 4.383 1.00 0.28 N ATOM 487 CA GLN A 61 8.222 13.407 4.203 1.00 0.34 C ATOM 488 C GLN A 61 9.045 13.751 5.446 1.00 0.34 C ATOM 489 O GLN A 61 10.128 14.330 5.357 1.00 0.37 O ATOM 490 CB GLN A 61 7.189 14.499 3.957 1.00 0.45 C ATOM 491 CG GLN A 61 6.412 14.314 2.662 1.00 0.58 C ATOM 492 CD GLN A 61 7.317 14.295 1.440 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.588 15.333 0.838 1.00 1.23 O ATOM 494 NE2 GLN A 61 7.790 13.113 1.069 1.00 1.12 N ATOM 0 H GLN A 61 6.529 12.189 4.366 1.00 0.28 H new ATOM 0 HA GLN A 61 8.891 13.336 3.345 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.489 14.522 4.792 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.691 15.466 3.936 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.850 13.381 2.709 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.685 15.120 2.560 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.541 12.276 1.596 1.00 1.12 H new ATOM 0 HE22 GLN A 61 8.403 13.041 0.257 1.00 1.12 H new ATOM 503 N ARG A 62 8.508 13.383 6.605 1.00 0.34 N ATOM 504 CA ARG A 62 9.130 13.661 7.896 1.00 0.39 C ATOM 505 C ARG A 62 10.439 12.892 8.045 1.00 0.36 C ATOM 506 O ARG A 62 11.488 13.471 8.322 1.00 0.41 O ATOM 507 CB ARG A 62 8.162 13.261 9.010 1.00 0.44 C ATOM 508 CG ARG A 62 8.232 14.128 10.261 1.00 0.58 C ATOM 509 CD ARG A 62 9.550 13.980 11.004 1.00 1.13 C ATOM 510 NE ARG A 62 9.661 12.682 11.667 1.00 1.93 N ATOM 511 CZ ARG A 62 10.815 12.127 12.036 1.00 2.74 C ATOM 512 NH1 ARG A 62 11.965 12.729 11.753 1.00 2.99 N ATOM 513 NH2 ARG A 62 10.825 10.962 12.671 1.00 3.73 N ATOM 0 H ARG A 62 7.623 12.880 6.676 1.00 0.34 H new ATOM 0 HA ARG A 62 9.354 14.726 7.961 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.145 13.295 8.618 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.361 12.227 9.291 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.092 15.172 9.983 1.00 0.58 H new ATOM 0 HG3 ARG A 62 7.412 13.863 10.928 1.00 0.58 H new ATOM 0 HD2 ARG A 62 10.377 14.102 10.304 1.00 1.13 H new ATOM 0 HD3 ARG A 62 9.640 14.775 11.745 1.00 1.13 H new ATOM 0 HE ARG A 62 8.801 12.169 11.859 1.00 1.93 H new ATOM 0 HH11 ARG A 62 11.966 13.618 11.252 1.00 2.99 H new ATOM 0 HH12 ARG A 62 12.847 12.303 12.036 1.00 2.99 H new ATOM 0 HH21 ARG A 62 9.947 10.487 12.879 1.00 3.73 H new ATOM 0 HH22 ARG A 62 11.711 10.541 12.951 1.00 3.73 H new ATOM 527 N LEU A 63 10.358 11.582 7.848 1.00 0.30 N ATOM 528 CA LEU A 63 11.496 10.692 7.969 1.00 0.32 C ATOM 529 C LEU A 63 12.416 10.802 6.779 1.00 0.31 C ATOM 530 O LEU A 63 13.301 9.971 6.586 1.00 0.37 O ATOM 531 CB LEU A 63 11.016 9.254 8.172 1.00 0.33 C ATOM 532 CG LEU A 63 10.469 8.962 9.575 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.219 9.763 9.874 1.00 1.01 C ATOM 534 CD2 LEU A 63 10.209 7.477 9.760 1.00 0.65 C ATOM 0 H LEU A 63 9.491 11.107 7.598 1.00 0.30 H new ATOM 0 HA LEU A 63 12.074 10.991 8.843 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.239 9.036 7.439 1.00 0.33 H new ATOM 0 HB3 LEU A 63 11.844 8.575 7.969 1.00 0.33 H new ATOM 0 HG LEU A 63 11.234 9.271 10.287 1.00 0.40 H new ATOM 0 HD11 LEU A 63 8.866 9.525 10.877 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.445 10.827 9.812 1.00 1.01 H new ATOM 0 HD13 LEU A 63 8.445 9.514 9.148 1.00 1.01 H new ATOM 0 HD21 LEU A 63 9.822 7.298 10.763 1.00 0.65 H new ATOM 0 HD22 LEU A 63 9.479 7.141 9.024 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.139 6.925 9.626 1.00 0.65 H new ATOM 546 N GLY A 64 12.208 11.845 5.996 1.00 0.28 N ATOM 547 CA GLY A 64 13.075 12.121 4.874 1.00 0.30 C ATOM 548 C GLY A 64 12.946 11.063 3.816 1.00 0.27 C ATOM 549 O GLY A 64 13.803 10.930 2.940 1.00 0.33 O ATOM 0 H GLY A 64 11.446 12.512 6.119 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.828 13.095 4.451 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.109 12.175 5.214 1.00 0.30 H new ATOM 553 N ILE A 65 11.867 10.304 3.907 1.00 0.22 N ATOM 554 CA ILE A 65 11.615 9.246 2.976 1.00 0.20 C ATOM 555 C ILE A 65 10.985 9.826 1.714 1.00 0.21 C ATOM 556 O ILE A 65 9.898 10.402 1.772 1.00 0.23 O ATOM 557 CB ILE A 65 10.684 8.151 3.549 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.265 7.550 4.833 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.463 7.057 2.512 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.484 6.356 5.346 1.00 0.20 C ATOM 0 H ILE A 65 11.153 10.412 4.627 1.00 0.22 H new ATOM 0 HA ILE A 65 12.573 8.776 2.755 1.00 0.20 H new ATOM 0 HB ILE A 65 9.727 8.612 3.793 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.296 7.249 4.650 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.290 8.318 5.606 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.806 6.291 2.925 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.004 7.487 1.622 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.420 6.609 2.246 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.950 5.980 6.257 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.459 6.657 5.561 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.481 5.571 4.590 1.00 0.20 H new ATOM 572 N PRO A 66 11.674 9.719 0.570 1.00 0.24 N ATOM 573 CA PRO A 66 11.143 10.177 -0.718 1.00 0.27 C ATOM 574 C PRO A 66 9.727 9.653 -0.950 1.00 0.22 C ATOM 575 O PRO A 66 9.438 8.499 -0.657 1.00 0.23 O ATOM 576 CB PRO A 66 12.114 9.579 -1.745 1.00 0.35 C ATOM 577 CG PRO A 66 13.025 8.671 -0.983 1.00 0.26 C ATOM 578 CD PRO A 66 13.020 9.159 0.433 1.00 0.31 C ATOM 0 HA PRO A 66 11.073 11.263 -0.777 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.574 9.030 -2.516 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.679 10.363 -2.248 1.00 0.35 H new ATOM 0 HG2 PRO A 66 12.680 7.638 -1.039 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.033 8.694 -1.398 1.00 0.26 H new ATOM 0 HD2 PRO A 66 13.197 8.350 1.142 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.791 9.909 0.606 1.00 0.31 H new ATOM 586 N LYS A 67 8.844 10.517 -1.449 1.00 0.25 N ATOM 587 CA LYS A 67 7.424 10.186 -1.581 1.00 0.27 C ATOM 588 C LYS A 67 7.164 9.085 -2.615 1.00 0.25 C ATOM 589 O LYS A 67 6.254 8.283 -2.444 1.00 0.36 O ATOM 590 CB LYS A 67 6.613 11.430 -1.936 1.00 0.43 C ATOM 591 CG LYS A 67 7.087 12.115 -3.198 1.00 1.04 C ATOM 592 CD LYS A 67 6.131 13.212 -3.625 1.00 1.15 C ATOM 593 CE LYS A 67 6.478 13.751 -5.000 1.00 1.67 C ATOM 594 NZ LYS A 67 6.313 12.716 -6.053 1.00 2.42 N ATOM 0 H LYS A 67 9.087 11.454 -1.770 1.00 0.25 H new ATOM 0 HA LYS A 67 7.105 9.803 -0.612 1.00 0.27 H new ATOM 0 HB2 LYS A 67 5.566 11.151 -2.054 1.00 0.43 H new ATOM 0 HB3 LYS A 67 6.663 12.136 -1.107 1.00 0.43 H new ATOM 0 HG2 LYS A 67 8.078 12.538 -3.034 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.182 11.381 -3.998 1.00 1.04 H new ATOM 0 HD2 LYS A 67 5.112 12.825 -3.632 1.00 1.15 H new ATOM 0 HD3 LYS A 67 6.159 14.023 -2.898 1.00 1.15 H new ATOM 0 HE2 LYS A 67 5.841 14.606 -5.227 1.00 1.67 H new ATOM 0 HE3 LYS A 67 7.507 14.111 -5.001 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 6.325 13.168 -6.989 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 7.092 12.029 -5.990 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 5.406 12.225 -5.918 1.00 2.42 H new ATOM 608 N ASP A 68 7.950 9.055 -3.681 1.00 0.28 N ATOM 609 CA ASP A 68 7.806 8.018 -4.701 1.00 0.28 C ATOM 610 C ASP A 68 8.433 6.729 -4.197 1.00 0.21 C ATOM 611 O ASP A 68 9.188 6.743 -3.238 1.00 0.23 O ATOM 612 CB ASP A 68 8.478 8.444 -6.016 1.00 0.39 C ATOM 613 CG ASP A 68 7.874 9.695 -6.628 1.00 1.12 C ATOM 614 OD1 ASP A 68 8.049 10.789 -6.051 1.00 1.65 O ATOM 615 OD2 ASP A 68 7.192 9.579 -7.668 1.00 1.88 O ATOM 0 H ASP A 68 8.691 9.731 -3.865 1.00 0.28 H new ATOM 0 HA ASP A 68 6.745 7.863 -4.896 1.00 0.28 H new ATOM 0 HB2 ASP A 68 9.539 8.614 -5.834 1.00 0.39 H new ATOM 0 HB3 ASP A 68 8.405 7.627 -6.733 1.00 0.39 H new ATOM 620 N PRO A 69 8.088 5.587 -4.799 1.00 0.19 N ATOM 621 CA PRO A 69 8.702 4.304 -4.462 1.00 0.20 C ATOM 622 C PRO A 69 10.022 4.047 -5.182 1.00 0.26 C ATOM 623 O PRO A 69 10.964 3.575 -4.573 1.00 0.65 O ATOM 624 CB PRO A 69 7.658 3.304 -4.928 1.00 0.40 C ATOM 625 CG PRO A 69 6.980 3.965 -6.078 1.00 0.37 C ATOM 626 CD PRO A 69 7.012 5.443 -5.796 1.00 0.22 C ATOM 0 HA PRO A 69 8.956 4.251 -3.403 1.00 0.20 H new ATOM 0 HB2 PRO A 69 8.119 2.363 -5.229 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.950 3.072 -4.132 1.00 0.40 H new ATOM 0 HG2 PRO A 69 7.491 3.737 -7.014 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.954 3.611 -6.180 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.223 6.018 -6.698 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.057 5.797 -5.408 1.00 0.22 H new ATOM 634 N ARG A 70 10.088 4.426 -6.455 1.00 0.20 N ATOM 635 CA ARG A 70 11.148 3.988 -7.389 1.00 0.26 C ATOM 636 C ARG A 70 12.573 4.422 -7.010 1.00 0.19 C ATOM 637 O ARG A 70 13.497 4.250 -7.800 1.00 0.27 O ATOM 638 CB ARG A 70 10.841 4.435 -8.830 1.00 0.46 C ATOM 639 CG ARG A 70 10.205 5.816 -8.961 1.00 0.96 C ATOM 640 CD ARG A 70 8.691 5.739 -8.821 1.00 0.87 C ATOM 641 NE ARG A 70 8.041 7.031 -9.028 1.00 1.06 N ATOM 642 CZ ARG A 70 7.191 7.283 -10.022 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.989 6.389 -10.981 1.00 1.89 N ATOM 644 NH2 ARG A 70 6.561 8.444 -10.066 1.00 1.79 N ATOM 0 H ARG A 70 9.405 5.052 -6.882 1.00 0.20 H new ATOM 0 HA ARG A 70 11.134 2.900 -7.317 1.00 0.26 H new ATOM 0 HB2 ARG A 70 11.769 4.424 -9.402 1.00 0.46 H new ATOM 0 HB3 ARG A 70 10.176 3.702 -9.287 1.00 0.46 H new ATOM 0 HG2 ARG A 70 10.610 6.480 -8.198 1.00 0.96 H new ATOM 0 HG3 ARG A 70 10.462 6.248 -9.928 1.00 0.96 H new ATOM 0 HD2 ARG A 70 8.299 5.020 -9.541 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.440 5.365 -7.828 1.00 0.87 H new ATOM 0 HE ARG A 70 8.250 7.784 -8.373 1.00 1.06 H new ATOM 0 HH11 ARG A 70 7.487 5.499 -10.962 1.00 1.89 H new ATOM 0 HH12 ARG A 70 6.336 6.592 -11.738 1.00 1.89 H new ATOM 0 HH21 ARG A 70 6.727 9.142 -9.341 1.00 1.79 H new ATOM 0 HH22 ARG A 70 5.909 8.642 -10.825 1.00 1.79 H new ATOM 658 N GLN A 71 12.761 4.973 -5.828 1.00 0.16 N ATOM 659 CA GLN A 71 14.090 5.373 -5.384 1.00 0.16 C ATOM 660 C GLN A 71 14.326 5.011 -3.917 1.00 0.15 C ATOM 661 O GLN A 71 15.264 5.500 -3.288 1.00 0.18 O ATOM 662 CB GLN A 71 14.284 6.882 -5.588 1.00 0.20 C ATOM 663 CG GLN A 71 13.600 7.733 -4.528 1.00 0.38 C ATOM 664 CD GLN A 71 12.100 7.533 -4.489 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.655 6.510 -3.769 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.352 8.263 -5.131 1.00 0.29 N flip ATOM 0 H GLN A 71 12.016 5.156 -5.156 1.00 0.16 H new ATOM 0 HA GLN A 71 14.818 4.829 -5.986 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.351 7.106 -5.589 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.899 7.160 -6.569 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.019 7.493 -3.551 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.816 8.784 -4.718 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.736 9.038 -5.671 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.346 8.095 -5.125 1.00 0.29 H new ATOM 675 N TRP A 72 13.486 4.142 -3.376 1.00 0.12 N ATOM 676 CA TRP A 72 13.563 3.771 -1.974 1.00 0.11 C ATOM 677 C TRP A 72 14.657 2.750 -1.704 1.00 0.12 C ATOM 678 O TRP A 72 15.157 2.092 -2.611 1.00 0.14 O ATOM 679 CB TRP A 72 12.225 3.160 -1.551 1.00 0.11 C ATOM 680 CG TRP A 72 11.208 4.149 -1.114 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.381 5.483 -0.927 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.850 3.866 -0.790 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.204 6.048 -0.523 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.248 5.073 -0.430 1.00 0.08 C ATOM 685 CE3 TRP A 72 9.087 2.703 -0.778 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.909 5.152 -0.060 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.763 2.781 -0.411 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.186 3.996 -0.056 1.00 0.10 C ATOM 0 H TRP A 72 12.738 3.678 -3.892 1.00 0.12 H new ATOM 0 HA TRP A 72 13.793 4.674 -1.408 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.821 2.587 -2.386 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.402 2.456 -0.738 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.308 6.017 -1.075 1.00 0.10 H new ATOM 0 HE1 TRP A 72 10.061 7.038 -0.323 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.526 1.755 -1.052 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.459 6.095 0.214 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 7.162 1.884 -0.398 1.00 0.10 H new ATOM 0 HH2 TRP A 72 6.145 4.024 0.228 1.00 0.10 H new ATOM 699 N THR A 73 15.069 2.678 -0.454 1.00 0.14 N ATOM 700 CA THR A 73 15.871 1.575 0.024 1.00 0.15 C ATOM 701 C THR A 73 14.965 0.443 0.465 1.00 0.15 C ATOM 702 O THR A 73 13.742 0.610 0.496 1.00 0.16 O ATOM 703 CB THR A 73 16.728 1.997 1.231 1.00 0.18 C ATOM 704 OG1 THR A 73 15.873 2.531 2.256 1.00 0.19 O ATOM 705 CG2 THR A 73 17.761 3.044 0.839 1.00 0.21 C ATOM 0 H THR A 73 14.857 3.380 0.255 1.00 0.14 H new ATOM 0 HA THR A 73 16.523 1.257 -0.790 1.00 0.15 H new ATOM 0 HB THR A 73 17.257 1.118 1.599 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.619 3.449 2.025 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.349 3.320 1.714 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.420 2.636 0.073 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.254 3.927 0.449 1.00 0.21 H new ATOM 713 N GLU A 74 15.549 -0.684 0.824 1.00 0.17 N ATOM 714 CA GLU A 74 14.789 -1.773 1.412 1.00 0.20 C ATOM 715 C GLU A 74 14.052 -1.277 2.652 1.00 0.19 C ATOM 716 O GLU A 74 12.881 -1.600 2.877 1.00 0.28 O ATOM 717 CB GLU A 74 15.723 -2.919 1.790 1.00 0.29 C ATOM 718 CG GLU A 74 15.028 -4.028 2.551 1.00 1.25 C ATOM 719 CD GLU A 74 15.997 -5.023 3.146 1.00 1.79 C ATOM 720 OE1 GLU A 74 16.383 -5.975 2.441 1.00 2.67 O ATOM 721 OE2 GLU A 74 16.371 -4.854 4.326 1.00 1.99 O ATOM 0 H GLU A 74 16.546 -0.871 0.719 1.00 0.17 H new ATOM 0 HA GLU A 74 14.064 -2.133 0.683 1.00 0.20 H new ATOM 0 HB2 GLU A 74 16.167 -3.332 0.884 1.00 0.29 H new ATOM 0 HB3 GLU A 74 16.541 -2.528 2.396 1.00 0.29 H new ATOM 0 HG2 GLU A 74 14.425 -3.593 3.348 1.00 1.25 H new ATOM 0 HG3 GLU A 74 14.344 -4.549 1.881 1.00 1.25 H new ATOM 728 N THR A 75 14.739 -0.447 3.425 1.00 0.18 N ATOM 729 CA THR A 75 14.216 0.061 4.678 1.00 0.21 C ATOM 730 C THR A 75 13.002 0.955 4.446 1.00 0.17 C ATOM 731 O THR A 75 12.025 0.897 5.195 1.00 0.20 O ATOM 732 CB THR A 75 15.298 0.862 5.417 1.00 0.29 C ATOM 733 OG1 THR A 75 16.552 0.170 5.333 1.00 0.47 O ATOM 734 CG2 THR A 75 14.920 1.059 6.873 1.00 0.47 C ATOM 0 H THR A 75 15.674 -0.109 3.198 1.00 0.18 H new ATOM 0 HA THR A 75 13.912 -0.794 5.282 1.00 0.21 H new ATOM 0 HB THR A 75 15.387 1.841 4.947 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.241 0.684 5.804 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.700 1.629 7.378 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.977 1.602 6.934 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.811 0.088 7.355 1.00 0.47 H new ATOM 742 N HIS A 76 13.056 1.760 3.390 1.00 0.14 N ATOM 743 CA HIS A 76 11.982 2.702 3.097 1.00 0.12 C ATOM 744 C HIS A 76 10.761 1.955 2.581 1.00 0.10 C ATOM 745 O HIS A 76 9.631 2.212 3.003 1.00 0.10 O ATOM 746 CB HIS A 76 12.429 3.750 2.074 1.00 0.14 C ATOM 747 CG HIS A 76 13.411 4.746 2.609 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.360 5.369 1.828 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.573 5.244 3.856 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.064 6.198 2.567 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.609 6.144 3.803 1.00 0.19 N ATOM 0 H HIS A 76 13.829 1.779 2.725 1.00 0.14 H new ATOM 0 HA HIS A 76 11.723 3.220 4.020 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.873 3.241 1.219 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.551 4.282 1.707 1.00 0.14 H new ATOM 0 HD2 HIS A 76 12.995 4.983 4.730 1.00 0.16 H new ATOM 0 HE1 HIS A 76 15.877 6.818 2.220 1.00 0.22 H new ATOM 0 HE2 HIS A 76 14.968 6.683 4.591 1.00 0.19 H new ATOM 760 N VAL A 77 11.008 1.015 1.676 1.00 0.09 N ATOM 761 CA VAL A 77 9.958 0.198 1.114 1.00 0.07 C ATOM 762 C VAL A 77 9.254 -0.584 2.214 1.00 0.08 C ATOM 763 O VAL A 77 8.043 -0.482 2.372 1.00 0.08 O ATOM 764 CB VAL A 77 10.521 -0.772 0.050 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.464 -1.780 -0.369 1.00 0.09 C ATOM 766 CG2 VAL A 77 11.044 0.000 -1.165 1.00 0.08 C ATOM 0 H VAL A 77 11.939 0.804 1.318 1.00 0.09 H new ATOM 0 HA VAL A 77 9.238 0.857 0.629 1.00 0.07 H new ATOM 0 HB VAL A 77 11.356 -1.316 0.492 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.880 -2.453 -1.118 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.146 -2.356 0.500 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.607 -1.255 -0.790 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.436 -0.702 -1.901 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.231 0.575 -1.608 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.838 0.677 -0.851 1.00 0.08 H new ATOM 776 N ARG A 78 10.024 -1.326 3.001 1.00 0.09 N ATOM 777 CA ARG A 78 9.456 -2.158 4.058 1.00 0.11 C ATOM 778 C ARG A 78 8.759 -1.329 5.132 1.00 0.10 C ATOM 779 O ARG A 78 7.818 -1.805 5.770 1.00 0.14 O ATOM 780 CB ARG A 78 10.524 -3.044 4.688 1.00 0.18 C ATOM 781 CG ARG A 78 10.898 -4.233 3.819 1.00 0.37 C ATOM 782 CD ARG A 78 11.536 -5.339 4.638 1.00 0.40 C ATOM 783 NE ARG A 78 12.915 -5.041 5.015 1.00 1.11 N ATOM 784 CZ ARG A 78 13.428 -5.305 6.216 1.00 1.43 C ATOM 785 NH1 ARG A 78 12.646 -5.762 7.187 1.00 1.57 N ATOM 786 NH2 ARG A 78 14.718 -5.099 6.446 1.00 2.21 N ATOM 0 H ARG A 78 11.041 -1.370 2.929 1.00 0.09 H new ATOM 0 HA ARG A 78 8.703 -2.791 3.589 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.416 -2.447 4.881 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.167 -3.404 5.653 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.007 -4.615 3.320 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.588 -3.912 3.038 1.00 0.37 H new ATOM 0 HD2 ARG A 78 10.946 -5.504 5.539 1.00 0.40 H new ATOM 0 HD3 ARG A 78 11.513 -6.267 4.067 1.00 0.40 H new ATOM 0 HE ARG A 78 13.520 -4.606 4.319 1.00 1.11 H new ATOM 0 HH11 ARG A 78 11.652 -5.911 7.014 1.00 1.57 H new ATOM 0 HH12 ARG A 78 13.039 -5.964 8.106 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.317 -4.738 5.703 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.111 -5.301 7.365 1.00 2.21 H new ATOM 800 N ASP A 79 9.217 -0.096 5.321 1.00 0.11 N ATOM 801 CA ASP A 79 8.585 0.833 6.256 1.00 0.12 C ATOM 802 C ASP A 79 7.138 1.023 5.859 1.00 0.11 C ATOM 803 O ASP A 79 6.198 0.818 6.642 1.00 0.12 O ATOM 804 CB ASP A 79 9.278 2.194 6.195 1.00 0.16 C ATOM 805 CG ASP A 79 9.277 2.906 7.533 1.00 0.57 C ATOM 806 OD1 ASP A 79 8.192 3.097 8.115 1.00 1.05 O ATOM 807 OD2 ASP A 79 10.371 3.253 8.024 1.00 0.95 O ATOM 0 H ASP A 79 10.029 0.287 4.836 1.00 0.11 H new ATOM 0 HA ASP A 79 8.661 0.426 7.264 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.306 2.060 5.859 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.780 2.819 5.454 1.00 0.16 H new ATOM 812 N TRP A 80 6.979 1.349 4.595 1.00 0.10 N ATOM 813 CA TRP A 80 5.695 1.637 4.012 1.00 0.09 C ATOM 814 C TRP A 80 4.905 0.344 3.832 1.00 0.09 C ATOM 815 O TRP A 80 3.672 0.338 3.900 1.00 0.09 O ATOM 816 CB TRP A 80 5.961 2.336 2.680 1.00 0.09 C ATOM 817 CG TRP A 80 4.908 2.163 1.652 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.853 2.979 1.406 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.835 1.102 0.704 1.00 0.09 C ATOM 820 NE1 TRP A 80 3.130 2.492 0.349 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.714 1.339 -0.092 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.615 -0.027 0.456 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.354 0.494 -1.123 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.254 -0.872 -0.568 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.131 -0.606 -1.350 1.00 0.10 C ATOM 0 H TRP A 80 7.754 1.422 3.936 1.00 0.10 H new ATOM 0 HA TRP A 80 5.094 2.283 4.652 1.00 0.09 H new ATOM 0 HB2 TRP A 80 6.091 3.402 2.868 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.904 1.966 2.277 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.618 3.876 1.959 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.292 2.921 -0.044 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.488 -0.235 1.058 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.485 0.697 -1.731 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.848 -1.752 -0.768 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.870 -1.283 -2.150 1.00 0.10 H new ATOM 836 N VAL A 81 5.642 -0.744 3.637 1.00 0.10 N ATOM 837 CA VAL A 81 5.070 -2.067 3.467 1.00 0.11 C ATOM 838 C VAL A 81 4.280 -2.453 4.707 1.00 0.11 C ATOM 839 O VAL A 81 3.080 -2.715 4.657 1.00 0.11 O ATOM 840 CB VAL A 81 6.189 -3.107 3.203 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.759 -4.515 3.576 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.620 -3.072 1.747 1.00 0.14 C ATOM 0 H VAL A 81 6.661 -0.728 3.593 1.00 0.10 H new ATOM 0 HA VAL A 81 4.399 -2.052 2.608 1.00 0.11 H new ATOM 0 HB VAL A 81 7.032 -2.834 3.838 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.574 -5.210 3.374 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.507 -4.550 4.636 1.00 0.14 H new ATOM 0 HG13 VAL A 81 4.887 -4.797 2.986 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.406 -3.809 1.582 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.767 -3.303 1.109 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.997 -2.079 1.503 1.00 0.14 H new ATOM 852 N MET A 82 4.963 -2.459 5.829 1.00 0.11 N ATOM 853 CA MET A 82 4.332 -2.804 7.083 1.00 0.12 C ATOM 854 C MET A 82 3.384 -1.714 7.567 1.00 0.11 C ATOM 855 O MET A 82 2.588 -1.963 8.459 1.00 0.12 O ATOM 856 CB MET A 82 5.358 -3.153 8.153 1.00 0.15 C ATOM 857 CG MET A 82 6.266 -2.003 8.545 1.00 0.13 C ATOM 858 SD MET A 82 7.551 -2.506 9.704 1.00 0.49 S ATOM 859 CE MET A 82 6.566 -3.289 10.981 1.00 0.42 C ATOM 0 H MET A 82 5.954 -2.229 5.899 1.00 0.11 H new ATOM 0 HA MET A 82 3.732 -3.695 6.895 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.834 -3.506 9.041 1.00 0.15 H new ATOM 0 HB3 MET A 82 5.972 -3.980 7.796 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.730 -1.589 7.650 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.669 -1.208 8.992 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.139 -3.333 11.907 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.656 -2.711 11.145 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.302 -4.300 10.669 1.00 0.42 H new ATOM 869 N TRP A 83 3.460 -0.503 7.013 1.00 0.09 N ATOM 870 CA TRP A 83 2.549 0.550 7.452 1.00 0.09 C ATOM 871 C TRP A 83 1.110 0.261 7.019 1.00 0.09 C ATOM 872 O TRP A 83 0.220 0.167 7.858 1.00 0.11 O ATOM 873 CB TRP A 83 2.986 1.931 6.949 1.00 0.09 C ATOM 874 CG TRP A 83 2.003 3.002 7.287 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.945 3.734 8.436 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.931 3.460 6.462 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.896 4.614 8.375 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.263 4.469 7.172 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.475 3.116 5.188 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.836 5.133 6.651 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.614 3.778 4.673 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.257 4.778 5.400 1.00 0.15 C ATOM 0 H TRP A 83 4.120 -0.234 6.284 1.00 0.09 H new ATOM 0 HA TRP A 83 2.586 0.561 8.541 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.954 2.182 7.382 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.120 1.894 5.868 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.624 3.635 9.270 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.630 5.271 9.109 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.969 2.344 4.617 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.342 5.904 7.213 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -0.977 3.519 3.689 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.107 5.284 4.965 1.00 0.15 H new ATOM 893 N ALA A 84 0.865 0.114 5.723 1.00 0.09 N ATOM 894 CA ALA A 84 -0.493 -0.177 5.264 1.00 0.10 C ATOM 895 C ALA A 84 -0.961 -1.467 5.917 1.00 0.10 C ATOM 896 O ALA A 84 -2.109 -1.604 6.347 1.00 0.12 O ATOM 897 CB ALA A 84 -0.542 -0.280 3.747 1.00 0.12 C ATOM 0 H ALA A 84 1.566 0.188 4.986 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.160 0.636 5.551 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.562 -0.497 3.430 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.218 0.664 3.308 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.119 -1.081 3.415 1.00 0.12 H new ATOM 903 N VAL A 85 -0.021 -2.387 6.017 1.00 0.10 N ATOM 904 CA VAL A 85 -0.205 -3.638 6.721 1.00 0.11 C ATOM 905 C VAL A 85 -0.607 -3.437 8.191 1.00 0.13 C ATOM 906 O VAL A 85 -1.603 -4.001 8.636 1.00 0.14 O ATOM 907 CB VAL A 85 1.096 -4.473 6.610 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.287 -5.424 7.784 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.103 -5.240 5.302 1.00 0.14 C ATOM 0 H VAL A 85 0.906 -2.283 5.604 1.00 0.10 H new ATOM 0 HA VAL A 85 -1.032 -4.173 6.254 1.00 0.11 H new ATOM 0 HB VAL A 85 1.933 -3.775 6.634 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.214 -5.983 7.653 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.336 -4.853 8.711 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.448 -6.119 7.830 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.019 -5.825 5.228 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.242 -5.908 5.267 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.052 -4.539 4.469 1.00 0.14 H new ATOM 919 N ASN A 86 0.146 -2.640 8.946 1.00 0.15 N ATOM 920 CA ASN A 86 -0.096 -2.524 10.383 1.00 0.19 C ATOM 921 C ASN A 86 -1.369 -1.740 10.685 1.00 0.23 C ATOM 922 O ASN A 86 -1.962 -1.901 11.748 1.00 0.27 O ATOM 923 CB ASN A 86 1.124 -1.951 11.132 1.00 0.23 C ATOM 924 CG ASN A 86 1.138 -0.435 11.309 1.00 0.34 C ATOM 925 OD1 ASN A 86 0.593 0.293 10.359 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 1.659 0.077 12.299 1.00 0.32 N flip ATOM 0 H ASN A 86 0.917 -2.073 8.594 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.249 -3.536 10.759 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.173 -2.414 12.117 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.027 -2.245 10.597 1.00 0.23 H new ATOM 0 HD21 ASN A 86 2.074 -0.513 13.020 1.00 0.32 H new ATOM 0 HD22 ASN A 86 1.676 1.092 12.399 1.00 0.32 H new ATOM 933 N GLU A 87 -1.806 -0.918 9.735 1.00 0.24 N ATOM 934 CA GLU A 87 -3.013 -0.130 9.921 1.00 0.31 C ATOM 935 C GLU A 87 -4.200 -1.060 9.777 1.00 0.28 C ATOM 936 O GLU A 87 -5.189 -0.981 10.504 1.00 0.35 O ATOM 937 CB GLU A 87 -3.074 0.994 8.881 1.00 0.38 C ATOM 938 CG GLU A 87 -4.330 1.844 8.963 1.00 1.23 C ATOM 939 CD GLU A 87 -4.463 2.573 10.283 1.00 1.35 C ATOM 940 OE1 GLU A 87 -3.856 3.650 10.434 1.00 1.08 O ATOM 941 OE2 GLU A 87 -5.180 2.077 11.173 1.00 2.15 O ATOM 0 H GLU A 87 -1.344 -0.783 8.836 1.00 0.24 H new ATOM 0 HA GLU A 87 -3.021 0.333 10.908 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.203 1.638 9.005 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -3.008 0.557 7.885 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -4.324 2.571 8.151 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -5.203 1.208 8.815 1.00 1.23 H new ATOM 948 N PHE A 88 -4.054 -1.976 8.841 1.00 0.23 N ATOM 949 CA PHE A 88 -5.039 -3.007 8.601 1.00 0.23 C ATOM 950 C PHE A 88 -4.894 -4.160 9.583 1.00 0.25 C ATOM 951 O PHE A 88 -5.659 -5.122 9.538 1.00 0.30 O ATOM 952 CB PHE A 88 -4.875 -3.524 7.185 1.00 0.24 C ATOM 953 CG PHE A 88 -5.704 -2.785 6.188 1.00 0.28 C ATOM 954 CD1 PHE A 88 -7.050 -3.054 6.047 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.125 -1.818 5.382 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.806 -2.371 5.123 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.878 -1.132 4.455 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.261 -1.419 4.350 1.00 0.45 C ATOM 0 H PHE A 88 -3.244 -2.025 8.223 1.00 0.23 H new ATOM 0 HA PHE A 88 -6.030 -2.575 8.738 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.826 -3.453 6.899 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.142 -4.580 7.158 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.514 -3.807 6.667 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.072 -1.600 5.482 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.855 -2.605 5.018 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.422 -0.388 3.819 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.875 -0.873 3.650 1.00 0.45 H new ATOM 968 N SER A 89 -3.913 -4.039 10.481 1.00 0.27 N ATOM 969 CA SER A 89 -3.568 -5.101 11.416 1.00 0.34 C ATOM 970 C SER A 89 -3.279 -6.415 10.690 1.00 0.36 C ATOM 971 O SER A 89 -3.597 -7.492 11.196 1.00 0.48 O ATOM 972 CB SER A 89 -4.696 -5.290 12.435 1.00 0.45 C ATOM 973 OG SER A 89 -4.916 -4.096 13.171 1.00 1.07 O ATOM 0 H SER A 89 -3.339 -3.201 10.576 1.00 0.27 H new ATOM 0 HA SER A 89 -2.659 -4.807 11.940 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.612 -5.579 11.920 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.444 -6.102 13.117 1.00 0.45 H new ATOM 0 HG SER A 89 -5.641 -4.237 13.815 1.00 1.07 H new ATOM 979 N LEU A 90 -2.645 -6.331 9.520 1.00 0.31 N ATOM 980 CA LEU A 90 -2.379 -7.519 8.727 1.00 0.40 C ATOM 981 C LEU A 90 -1.274 -8.313 9.391 1.00 0.59 C ATOM 982 O LEU A 90 -1.395 -9.521 9.589 1.00 1.23 O ATOM 983 CB LEU A 90 -1.963 -7.103 7.312 1.00 0.33 C ATOM 984 CG LEU A 90 -2.900 -6.085 6.661 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.399 -5.693 5.285 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.310 -6.656 6.571 1.00 0.27 C ATOM 0 H LEU A 90 -2.311 -5.459 9.108 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.274 -8.137 8.660 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.957 -6.684 7.349 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.915 -7.992 6.683 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.921 -5.189 7.281 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -3.082 -4.968 4.842 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.407 -5.251 5.372 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.348 -6.578 4.651 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.970 -5.924 6.106 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.297 -7.565 5.970 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.673 -6.888 7.572 1.00 0.27 H new ATOM 998 N LYS A 91 -0.223 -7.582 9.777 1.00 0.24 N ATOM 999 CA LYS A 91 0.872 -8.082 10.613 1.00 0.39 C ATOM 1000 C LYS A 91 1.289 -9.515 10.282 1.00 0.26 C ATOM 1001 O LYS A 91 1.653 -10.281 11.174 1.00 0.39 O ATOM 1002 CB LYS A 91 0.467 -7.973 12.084 1.00 0.78 C ATOM 1003 CG LYS A 91 0.047 -6.565 12.487 1.00 1.31 C ATOM 1004 CD LYS A 91 -0.326 -6.479 13.961 1.00 1.49 C ATOM 1005 CE LYS A 91 -1.440 -7.450 14.322 1.00 1.91 C ATOM 1006 NZ LYS A 91 -1.879 -7.283 15.732 1.00 2.48 N ATOM 0 H LYS A 91 -0.108 -6.604 9.510 1.00 0.24 H new ATOM 0 HA LYS A 91 1.745 -7.462 10.407 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -0.356 -8.661 12.280 1.00 0.78 H new ATOM 0 HB3 LYS A 91 1.302 -8.289 12.709 1.00 0.78 H new ATOM 0 HG2 LYS A 91 0.861 -5.871 12.278 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -0.802 -6.253 11.880 1.00 1.31 H new ATOM 0 HD2 LYS A 91 0.552 -6.691 14.571 1.00 1.49 H new ATOM 0 HD3 LYS A 91 -0.640 -5.462 14.197 1.00 1.49 H new ATOM 0 HE2 LYS A 91 -2.289 -7.294 13.656 1.00 1.91 H new ATOM 0 HE3 LYS A 91 -1.096 -8.473 14.167 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 -2.639 -7.961 15.942 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 -1.075 -7.456 16.369 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 -2.231 -6.315 15.874 1.00 2.48 H new ATOM 1020 N GLY A 92 1.221 -9.888 9.012 1.00 0.26 N ATOM 1021 CA GLY A 92 1.649 -11.203 8.601 1.00 0.31 C ATOM 1022 C GLY A 92 2.301 -11.139 7.245 1.00 0.31 C ATOM 1023 O GLY A 92 2.092 -12.002 6.394 1.00 0.47 O ATOM 0 H GLY A 92 0.874 -9.297 8.257 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.350 -11.610 9.330 1.00 0.31 H new ATOM 0 HA3 GLY A 92 0.794 -11.878 8.570 1.00 0.31 H new ATOM 1027 N VAL A 93 3.093 -10.098 7.061 1.00 0.21 N ATOM 1028 CA VAL A 93 3.767 -9.848 5.810 1.00 0.21 C ATOM 1029 C VAL A 93 5.111 -10.534 5.828 1.00 0.20 C ATOM 1030 O VAL A 93 5.804 -10.524 6.850 1.00 0.22 O ATOM 1031 CB VAL A 93 3.915 -8.323 5.566 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.350 -7.915 5.268 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.012 -7.901 4.429 1.00 0.23 C ATOM 0 H VAL A 93 3.284 -9.402 7.782 1.00 0.21 H new ATOM 0 HA VAL A 93 3.176 -10.252 4.988 1.00 0.21 H new ATOM 0 HB VAL A 93 3.623 -7.816 6.486 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.396 -6.838 5.105 1.00 0.21 H new ATOM 0 HG12 VAL A 93 5.987 -8.182 6.111 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.697 -8.432 4.373 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.117 -6.829 4.259 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.290 -8.441 3.524 1.00 0.23 H new ATOM 0 HG23 VAL A 93 1.977 -8.128 4.683 1.00 0.23 H new ATOM 1043 N ASP A 94 5.477 -11.159 4.725 1.00 0.21 N ATOM 1044 CA ASP A 94 6.769 -11.790 4.652 1.00 0.24 C ATOM 1045 C ASP A 94 7.763 -10.741 4.220 1.00 0.21 C ATOM 1046 O ASP A 94 7.901 -10.457 3.033 1.00 0.20 O ATOM 1047 CB ASP A 94 6.772 -12.980 3.691 1.00 0.32 C ATOM 1048 CG ASP A 94 7.991 -13.855 3.897 1.00 1.02 C ATOM 1049 OD1 ASP A 94 7.988 -14.665 4.851 1.00 1.10 O ATOM 1050 OD2 ASP A 94 8.958 -13.729 3.123 1.00 1.94 O ATOM 0 H ASP A 94 4.905 -11.240 3.884 1.00 0.21 H new ATOM 0 HA ASP A 94 7.036 -12.192 5.629 1.00 0.24 H new ATOM 0 HB2 ASP A 94 5.869 -13.572 3.840 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.751 -12.619 2.663 1.00 0.32 H new ATOM 1055 N PHE A 95 8.420 -10.133 5.195 1.00 0.23 N ATOM 1056 CA PHE A 95 9.321 -9.022 4.935 1.00 0.24 C ATOM 1057 C PHE A 95 10.429 -9.441 3.983 1.00 0.23 C ATOM 1058 O PHE A 95 11.039 -8.608 3.315 1.00 0.28 O ATOM 1059 CB PHE A 95 9.925 -8.503 6.241 1.00 0.29 C ATOM 1060 CG PHE A 95 8.931 -7.846 7.153 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.198 -8.600 8.055 1.00 0.41 C ATOM 1062 CD2 PHE A 95 8.725 -6.478 7.108 1.00 0.55 C ATOM 1063 CE1 PHE A 95 7.281 -8.001 8.893 1.00 0.52 C ATOM 1064 CE2 PHE A 95 7.808 -5.872 7.945 1.00 0.66 C ATOM 1065 CZ PHE A 95 7.097 -6.624 8.845 1.00 0.61 C ATOM 0 H PHE A 95 8.345 -10.392 6.179 1.00 0.23 H new ATOM 0 HA PHE A 95 8.745 -8.222 4.471 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.393 -9.334 6.769 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.715 -7.789 6.006 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.346 -9.669 8.102 1.00 0.41 H new ATOM 0 HD2 PHE A 95 9.288 -5.877 6.410 1.00 0.55 H new ATOM 0 HE1 PHE A 95 6.707 -8.600 9.585 1.00 0.52 H new ATOM 0 HE2 PHE A 95 7.651 -4.805 7.891 1.00 0.66 H new ATOM 0 HZ PHE A 95 6.396 -6.148 9.515 1.00 0.61 H new ATOM 1075 N GLN A 96 10.680 -10.739 3.935 1.00 0.21 N ATOM 1076 CA GLN A 96 11.687 -11.297 3.043 1.00 0.24 C ATOM 1077 C GLN A 96 11.185 -11.332 1.610 1.00 0.21 C ATOM 1078 O GLN A 96 11.954 -11.155 0.667 1.00 0.25 O ATOM 1079 CB GLN A 96 12.086 -12.698 3.493 1.00 0.33 C ATOM 1080 CG GLN A 96 12.889 -12.704 4.784 1.00 1.06 C ATOM 1081 CD GLN A 96 14.129 -11.823 4.718 1.00 1.50 C ATOM 1082 OE1 GLN A 96 14.729 -11.708 3.540 1.00 2.08 O flip ATOM 1083 NE2 GLN A 96 14.557 -11.263 5.727 1.00 1.93 N flip ATOM 0 H GLN A 96 10.197 -11.432 4.507 1.00 0.21 H new ATOM 0 HA GLN A 96 12.565 -10.652 3.084 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.187 -13.299 3.629 1.00 0.33 H new ATOM 0 HB3 GLN A 96 12.671 -13.173 2.706 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.253 -12.366 5.602 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.188 -13.726 5.014 1.00 1.06 H new ATOM 0 HE21 GLN A 96 14.070 -11.373 6.617 1.00 1.93 H new ATOM 0 HE22 GLN A 96 15.398 -10.689 5.674 1.00 1.93 H new ATOM 1092 N LYS A 97 9.891 -11.556 1.448 1.00 0.18 N ATOM 1093 CA LYS A 97 9.281 -11.517 0.134 1.00 0.19 C ATOM 1094 C LYS A 97 9.130 -10.057 -0.268 1.00 0.17 C ATOM 1095 O LYS A 97 9.084 -9.714 -1.449 1.00 0.20 O ATOM 1096 CB LYS A 97 7.917 -12.221 0.151 1.00 0.23 C ATOM 1097 CG LYS A 97 7.643 -13.090 -1.071 1.00 0.26 C ATOM 1098 CD LYS A 97 7.586 -12.280 -2.354 1.00 0.25 C ATOM 1099 CE LYS A 97 7.351 -13.171 -3.566 1.00 0.38 C ATOM 1100 NZ LYS A 97 8.477 -14.118 -3.794 1.00 1.43 N ATOM 0 H LYS A 97 9.246 -11.766 2.210 1.00 0.18 H new ATOM 0 HA LYS A 97 9.907 -12.041 -0.588 1.00 0.19 H new ATOM 0 HB2 LYS A 97 7.853 -12.841 1.045 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.133 -11.467 0.229 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.422 -13.848 -1.157 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.699 -13.617 -0.935 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.788 -11.541 -2.284 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.519 -11.730 -2.480 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.428 -13.733 -3.428 1.00 0.38 H new ATOM 0 HE3 LYS A 97 7.216 -12.549 -4.451 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 8.395 -14.533 -4.744 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 9.380 -13.609 -3.716 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 8.444 -14.875 -3.082 1.00 1.43 H new ATOM 1114 N PHE A 98 9.104 -9.203 0.746 1.00 0.16 N ATOM 1115 CA PHE A 98 8.997 -7.769 0.559 1.00 0.16 C ATOM 1116 C PHE A 98 10.373 -7.124 0.468 1.00 0.20 C ATOM 1117 O PHE A 98 10.538 -5.938 0.766 1.00 0.22 O ATOM 1118 CB PHE A 98 8.208 -7.148 1.705 1.00 0.15 C ATOM 1119 CG PHE A 98 6.737 -7.205 1.478 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.107 -6.187 0.791 1.00 0.11 C ATOM 1121 CD2 PHE A 98 5.985 -8.268 1.942 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.753 -6.221 0.571 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.629 -8.308 1.722 1.00 0.13 C ATOM 1124 CZ PHE A 98 4.012 -7.284 1.036 1.00 0.12 C ATOM 0 H PHE A 98 9.157 -9.490 1.723 1.00 0.16 H new ATOM 0 HA PHE A 98 8.472 -7.589 -0.379 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.450 -7.667 2.632 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.513 -6.109 1.832 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.687 -5.354 0.422 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.466 -9.071 2.480 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.270 -5.417 0.035 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.047 -9.142 2.087 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.946 -7.316 0.863 1.00 0.12 H new ATOM 1134 N CYS A 99 11.361 -7.913 0.072 1.00 0.26 N ATOM 1135 CA CYS A 99 12.708 -7.410 -0.104 1.00 0.31 C ATOM 1136 C CYS A 99 12.793 -6.585 -1.382 1.00 0.23 C ATOM 1137 O CYS A 99 13.225 -7.077 -2.427 1.00 0.27 O ATOM 1138 CB CYS A 99 13.684 -8.577 -0.194 1.00 0.45 C ATOM 1139 SG CYS A 99 15.425 -8.122 -0.001 1.00 1.20 S ATOM 0 H CYS A 99 11.251 -8.906 -0.133 1.00 0.26 H new ATOM 0 HA CYS A 99 12.965 -6.782 0.749 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.426 -9.308 0.572 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.555 -9.067 -1.159 1.00 0.45 H new ATOM 0 HG CYS A 99 15.552 -7.309 1.005 1.00 1.20 H new ATOM 1145 N MET A 100 12.352 -5.345 -1.314 1.00 0.19 N ATOM 1146 CA MET A 100 12.483 -4.450 -2.442 1.00 0.16 C ATOM 1147 C MET A 100 13.243 -3.211 -2.069 1.00 0.17 C ATOM 1148 O MET A 100 12.999 -2.599 -1.031 1.00 0.20 O ATOM 1149 CB MET A 100 11.128 -4.005 -3.009 1.00 0.22 C ATOM 1150 CG MET A 100 10.423 -5.035 -3.866 1.00 0.22 C ATOM 1151 SD MET A 100 9.546 -6.255 -2.875 1.00 0.13 S ATOM 1152 CE MET A 100 8.408 -5.200 -1.977 1.00 0.18 C ATOM 0 H MET A 100 11.903 -4.937 -0.494 1.00 0.19 H new ATOM 0 HA MET A 100 13.020 -5.021 -3.200 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.474 -3.736 -2.179 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.278 -3.103 -3.602 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.718 -4.533 -4.529 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.153 -5.540 -4.499 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.632 -5.248 -0.911 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.514 -4.172 -2.324 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.386 -5.538 -2.149 1.00 0.18 H new ATOM 1162 N SER A 101 14.166 -2.859 -2.922 1.00 0.16 N ATOM 1163 CA SER A 101 14.619 -1.505 -2.992 1.00 0.18 C ATOM 1164 C SER A 101 13.559 -0.770 -3.796 1.00 0.14 C ATOM 1165 O SER A 101 12.855 -1.400 -4.572 1.00 0.15 O ATOM 1166 CB SER A 101 15.996 -1.446 -3.648 1.00 0.24 C ATOM 1167 OG SER A 101 16.139 -2.485 -4.605 1.00 1.26 O ATOM 0 H SER A 101 14.618 -3.496 -3.578 1.00 0.16 H new ATOM 0 HA SER A 101 14.740 -1.047 -2.011 1.00 0.18 H new ATOM 0 HB2 SER A 101 16.134 -0.478 -4.131 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.771 -1.536 -2.887 1.00 0.24 H new ATOM 0 HG SER A 101 17.027 -2.431 -5.017 1.00 1.26 H new ATOM 1173 N GLY A 102 13.393 0.511 -3.586 1.00 0.13 N ATOM 1174 CA GLY A 102 12.271 1.217 -4.165 1.00 0.14 C ATOM 1175 C GLY A 102 12.101 1.036 -5.663 1.00 0.14 C ATOM 1176 O GLY A 102 10.972 0.910 -6.142 1.00 0.16 O ATOM 0 H GLY A 102 14.016 1.088 -3.021 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.358 0.887 -3.669 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.382 2.280 -3.953 1.00 0.14 H new ATOM 1180 N ALA A 103 13.198 1.031 -6.408 1.00 0.17 N ATOM 1181 CA ALA A 103 13.120 0.811 -7.848 1.00 0.21 C ATOM 1182 C ALA A 103 12.550 -0.573 -8.128 1.00 0.21 C ATOM 1183 O ALA A 103 11.797 -0.772 -9.080 1.00 0.25 O ATOM 1184 CB ALA A 103 14.487 0.978 -8.496 1.00 0.26 C ATOM 0 H ALA A 103 14.141 1.175 -6.047 1.00 0.17 H new ATOM 0 HA ALA A 103 12.455 1.558 -8.283 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.404 0.809 -9.570 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.855 1.988 -8.315 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.183 0.256 -8.068 1.00 0.26 H new ATOM 1190 N ALA A 104 12.903 -1.516 -7.261 1.00 0.19 N ATOM 1191 CA ALA A 104 12.373 -2.866 -7.316 1.00 0.20 C ATOM 1192 C ALA A 104 10.912 -2.868 -6.895 1.00 0.16 C ATOM 1193 O ALA A 104 10.077 -3.505 -7.539 1.00 0.17 O ATOM 1194 CB ALA A 104 13.183 -3.796 -6.419 1.00 0.22 C ATOM 0 H ALA A 104 13.566 -1.362 -6.501 1.00 0.19 H new ATOM 0 HA ALA A 104 12.446 -3.228 -8.341 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.771 -4.804 -6.473 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.221 -3.810 -6.752 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.137 -3.440 -5.390 1.00 0.22 H new ATOM 1200 N LEU A 105 10.612 -2.164 -5.794 1.00 0.12 N ATOM 1201 CA LEU A 105 9.244 -1.974 -5.328 1.00 0.09 C ATOM 1202 C LEU A 105 8.319 -1.544 -6.447 1.00 0.12 C ATOM 1203 O LEU A 105 7.252 -2.091 -6.648 1.00 0.13 O ATOM 1204 CB LEU A 105 9.198 -0.896 -4.239 1.00 0.09 C ATOM 1205 CG LEU A 105 7.799 -0.658 -3.696 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.299 -1.894 -2.978 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.758 0.540 -2.782 1.00 0.14 C ATOM 0 H LEU A 105 11.314 -1.714 -5.207 1.00 0.12 H new ATOM 0 HA LEU A 105 8.910 -2.935 -4.937 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.855 -1.187 -3.419 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.588 0.038 -4.644 1.00 0.09 H new ATOM 0 HG LEU A 105 7.141 -0.450 -4.540 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.296 -1.711 -2.594 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.274 -2.733 -3.673 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.967 -2.129 -2.150 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.742 0.681 -2.412 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.432 0.379 -1.940 1.00 0.14 H new ATOM 0 HD23 LEU A 105 8.070 1.428 -3.332 1.00 0.14 H new ATOM 1219 N CYS A 106 8.722 -0.506 -7.104 1.00 0.21 N ATOM 1220 CA CYS A 106 7.989 0.039 -8.218 1.00 0.31 C ATOM 1221 C CYS A 106 7.913 -0.940 -9.392 1.00 0.34 C ATOM 1222 O CYS A 106 6.832 -1.193 -9.928 1.00 0.40 O ATOM 1223 CB CYS A 106 8.669 1.332 -8.639 1.00 0.39 C ATOM 1224 SG CYS A 106 7.866 2.227 -9.992 1.00 0.74 S ATOM 0 H CYS A 106 9.580 -0.000 -6.885 1.00 0.21 H new ATOM 0 HA CYS A 106 6.961 0.229 -7.911 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.726 1.991 -7.773 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.693 1.105 -8.934 1.00 0.39 H new ATOM 0 HG CYS A 106 7.087 1.417 -10.646 1.00 0.74 H new ATOM 1230 N ALA A 107 9.059 -1.484 -9.789 1.00 0.33 N ATOM 1231 CA ALA A 107 9.154 -2.312 -10.988 1.00 0.41 C ATOM 1232 C ALA A 107 8.303 -3.579 -10.937 1.00 0.38 C ATOM 1233 O ALA A 107 7.881 -4.075 -11.984 1.00 0.46 O ATOM 1234 CB ALA A 107 10.605 -2.682 -11.246 1.00 0.47 C ATOM 0 H ALA A 107 9.943 -1.365 -9.293 1.00 0.33 H new ATOM 0 HA ALA A 107 8.757 -1.708 -11.804 1.00 0.41 H new ATOM 0 HB1 ALA A 107 10.669 -3.300 -12.142 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.192 -1.775 -11.388 1.00 0.47 H new ATOM 0 HB3 ALA A 107 10.996 -3.237 -10.393 1.00 0.47 H new ATOM 1240 N LEU A 108 8.054 -4.115 -9.744 1.00 0.29 N ATOM 1241 CA LEU A 108 7.339 -5.386 -9.629 1.00 0.26 C ATOM 1242 C LEU A 108 5.938 -5.323 -10.254 1.00 0.26 C ATOM 1243 O LEU A 108 5.491 -6.286 -10.876 1.00 0.28 O ATOM 1244 CB LEU A 108 7.285 -5.886 -8.161 1.00 0.21 C ATOM 1245 CG LEU A 108 6.959 -4.855 -7.074 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.522 -4.353 -7.183 1.00 0.21 C ATOM 1247 CD2 LEU A 108 7.217 -5.452 -5.699 1.00 0.19 C ATOM 0 H LEU A 108 8.331 -3.698 -8.856 1.00 0.29 H new ATOM 0 HA LEU A 108 7.909 -6.117 -10.202 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.542 -6.682 -8.104 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.250 -6.333 -7.922 1.00 0.21 H new ATOM 0 HG LEU A 108 7.613 -3.995 -7.218 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.330 -3.624 -6.395 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.373 -3.884 -8.155 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.834 -5.192 -7.076 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.983 -4.714 -4.932 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.588 -6.331 -5.560 1.00 0.19 H new ATOM 0 HD23 LEU A 108 8.265 -5.740 -5.618 1.00 0.19 H new ATOM 1259 N GLY A 109 5.257 -4.188 -10.111 1.00 0.27 N ATOM 1260 CA GLY A 109 3.881 -4.083 -10.578 1.00 0.32 C ATOM 1261 C GLY A 109 2.942 -4.924 -9.729 1.00 0.27 C ATOM 1262 O GLY A 109 3.396 -5.792 -8.980 1.00 0.23 O ATOM 0 H GLY A 109 5.630 -3.341 -9.682 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.564 -3.040 -10.550 1.00 0.32 H new ATOM 0 HA3 GLY A 109 3.822 -4.406 -11.617 1.00 0.32 H new ATOM 1266 N LYS A 110 1.635 -4.682 -9.816 1.00 0.33 N ATOM 1267 CA LYS A 110 0.693 -5.452 -9.009 1.00 0.36 C ATOM 1268 C LYS A 110 0.805 -6.938 -9.327 1.00 0.26 C ATOM 1269 O LYS A 110 0.644 -7.767 -8.438 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.754 -4.936 -9.144 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.574 -5.467 -10.315 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.639 -6.448 -9.846 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.173 -7.906 -9.850 1.00 0.39 C ATOM 1274 NZ LYS A 110 -2.362 -8.564 -11.171 1.00 0.67 N ATOM 0 H LYS A 110 1.213 -3.977 -10.421 1.00 0.33 H new ATOM 0 HA LYS A 110 0.964 -5.312 -7.962 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.286 -5.175 -8.223 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.720 -3.849 -9.220 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.047 -4.635 -10.837 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -0.914 -5.958 -11.030 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -2.951 -6.178 -8.837 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.516 -6.354 -10.487 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.119 -7.947 -9.575 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -2.723 -8.461 -9.090 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -1.687 -9.349 -11.268 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -3.332 -8.931 -11.240 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -2.199 -7.872 -11.930 1.00 0.67 H new ATOM 1288 N GLU A 111 1.095 -7.272 -10.588 1.00 0.25 N ATOM 1289 CA GLU A 111 1.332 -8.663 -10.980 1.00 0.31 C ATOM 1290 C GLU A 111 2.276 -9.351 -10.000 1.00 0.27 C ATOM 1291 O GLU A 111 1.958 -10.404 -9.450 1.00 0.39 O ATOM 1292 CB GLU A 111 1.935 -8.737 -12.390 1.00 0.48 C ATOM 1293 CG GLU A 111 1.172 -7.949 -13.440 1.00 1.39 C ATOM 1294 CD GLU A 111 -0.308 -8.245 -13.431 1.00 1.95 C ATOM 1295 OE1 GLU A 111 -0.681 -9.410 -13.681 1.00 2.46 O ATOM 1296 OE2 GLU A 111 -1.106 -7.319 -13.203 1.00 2.54 O ATOM 0 H GLU A 111 1.171 -6.600 -11.352 1.00 0.25 H new ATOM 0 HA GLU A 111 0.369 -9.173 -10.971 1.00 0.31 H new ATOM 0 HB2 GLU A 111 2.961 -8.371 -12.353 1.00 0.48 H new ATOM 0 HB3 GLU A 111 1.980 -9.781 -12.698 1.00 0.48 H new ATOM 0 HG2 GLU A 111 1.326 -6.883 -13.271 1.00 1.39 H new ATOM 0 HG3 GLU A 111 1.578 -8.177 -14.426 1.00 1.39 H new ATOM 1303 N CYS A 112 3.427 -8.745 -9.776 1.00 0.21 N ATOM 1304 CA CYS A 112 4.408 -9.306 -8.871 1.00 0.18 C ATOM 1305 C CYS A 112 3.999 -9.052 -7.425 1.00 0.15 C ATOM 1306 O CYS A 112 3.964 -9.974 -6.622 1.00 0.17 O ATOM 1307 CB CYS A 112 5.794 -8.729 -9.157 1.00 0.21 C ATOM 1308 SG CYS A 112 7.140 -9.463 -8.196 1.00 1.36 S ATOM 0 H CYS A 112 3.704 -7.864 -10.209 1.00 0.21 H new ATOM 0 HA CYS A 112 4.453 -10.384 -9.029 1.00 0.18 H new ATOM 0 HB2 CYS A 112 6.013 -8.857 -10.217 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.772 -7.657 -8.963 1.00 0.21 H new ATOM 0 HG CYS A 112 8.265 -8.899 -8.523 1.00 1.36 H new ATOM 1314 N PHE A 113 3.669 -7.797 -7.107 1.00 0.13 N ATOM 1315 CA PHE A 113 3.355 -7.393 -5.737 1.00 0.12 C ATOM 1316 C PHE A 113 2.253 -8.252 -5.097 1.00 0.13 C ATOM 1317 O PHE A 113 2.362 -8.650 -3.943 1.00 0.14 O ATOM 1318 CB PHE A 113 2.952 -5.911 -5.692 1.00 0.12 C ATOM 1319 CG PHE A 113 3.213 -5.278 -4.357 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.413 -5.556 -3.249 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.247 -4.373 -4.219 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.655 -4.937 -2.045 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.481 -3.749 -3.019 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.702 -4.193 -1.856 1.00 0.10 C ATOM 0 H PHE A 113 3.613 -7.039 -7.787 1.00 0.13 H new ATOM 0 HA PHE A 113 4.263 -7.547 -5.154 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.500 -5.367 -6.461 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.893 -5.820 -5.931 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.599 -6.261 -3.337 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.880 -4.153 -5.066 1.00 0.11 H new ATOM 0 HE1 PHE A 113 1.955 -5.074 -1.234 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.212 -2.959 -2.933 1.00 0.13 H new ATOM 0 HZ PHE A 113 3.996 -3.905 -0.858 1.00 0.10 H new ATOM 1334 N LEU A 114 1.186 -8.532 -5.816 1.00 0.14 N ATOM 1335 CA LEU A 114 0.085 -9.272 -5.207 1.00 0.17 C ATOM 1336 C LEU A 114 0.426 -10.748 -5.123 1.00 0.22 C ATOM 1337 O LEU A 114 -0.153 -11.491 -4.338 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.229 -9.078 -5.948 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.475 -7.688 -6.534 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -2.948 -7.486 -6.732 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.923 -6.576 -5.668 1.00 0.50 C ATOM 0 H LEU A 114 1.052 -8.271 -6.793 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.051 -8.872 -4.202 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.275 -9.805 -6.759 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.045 -9.311 -5.264 1.00 0.19 H new ATOM 0 HG LEU A 114 -0.947 -7.642 -7.486 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.126 -6.495 -7.150 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.330 -8.243 -7.417 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.459 -7.573 -5.773 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.129 -5.614 -6.137 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.396 -6.610 -4.687 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.154 -6.702 -5.556 1.00 0.50 H new ATOM 1353 N GLU A 115 1.362 -11.168 -5.954 1.00 0.22 N ATOM 1354 CA GLU A 115 1.938 -12.493 -5.837 1.00 0.28 C ATOM 1355 C GLU A 115 2.974 -12.490 -4.722 1.00 0.27 C ATOM 1356 O GLU A 115 3.380 -13.530 -4.206 1.00 0.37 O ATOM 1357 CB GLU A 115 2.596 -12.898 -7.151 1.00 0.37 C ATOM 1358 CG GLU A 115 1.608 -13.246 -8.250 1.00 0.48 C ATOM 1359 CD GLU A 115 1.015 -14.625 -8.077 1.00 1.33 C ATOM 1360 OE1 GLU A 115 0.075 -14.778 -7.273 1.00 1.81 O ATOM 1361 OE2 GLU A 115 1.499 -15.572 -8.741 1.00 2.21 O ATOM 0 H GLU A 115 1.740 -10.609 -6.719 1.00 0.22 H new ATOM 0 HA GLU A 115 1.150 -13.210 -5.605 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.234 -12.083 -7.493 1.00 0.37 H new ATOM 0 HB3 GLU A 115 3.244 -13.756 -6.973 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.806 -12.508 -8.261 1.00 0.48 H new ATOM 0 HG3 GLU A 115 2.109 -13.187 -9.217 1.00 0.48 H new ATOM 1368 N LEU A 116 3.361 -11.283 -4.347 1.00 0.20 N ATOM 1369 CA LEU A 116 4.429 -11.044 -3.399 1.00 0.19 C ATOM 1370 C LEU A 116 3.896 -10.997 -1.967 1.00 0.22 C ATOM 1371 O LEU A 116 4.629 -11.249 -1.012 1.00 0.26 O ATOM 1372 CB LEU A 116 5.132 -9.741 -3.813 1.00 0.15 C ATOM 1373 CG LEU A 116 5.715 -8.874 -2.705 1.00 0.13 C ATOM 1374 CD1 LEU A 116 6.905 -8.101 -3.230 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.672 -7.908 -2.186 1.00 0.16 C ATOM 0 H LEU A 116 2.932 -10.428 -4.701 1.00 0.20 H new ATOM 0 HA LEU A 116 5.150 -11.861 -3.414 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.939 -9.998 -4.499 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.418 -9.137 -4.373 1.00 0.15 H new ATOM 0 HG LEU A 116 6.034 -9.521 -1.888 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.318 -7.483 -2.433 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.666 -8.798 -3.579 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.589 -7.464 -4.057 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.105 -7.296 -1.395 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.335 -7.265 -2.999 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.824 -8.467 -1.790 1.00 0.16 H new ATOM 1387 N ALA A 117 2.617 -10.678 -1.827 1.00 0.21 N ATOM 1388 CA ALA A 117 1.970 -10.645 -0.523 1.00 0.22 C ATOM 1389 C ALA A 117 0.635 -11.372 -0.597 1.00 0.23 C ATOM 1390 O ALA A 117 0.297 -11.909 -1.647 1.00 0.26 O ATOM 1391 CB ALA A 117 1.763 -9.203 -0.077 1.00 0.22 C ATOM 0 H ALA A 117 2.004 -10.437 -2.606 1.00 0.21 H new ATOM 0 HA ALA A 117 2.607 -11.145 0.207 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.278 -9.190 0.899 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.728 -8.701 -0.010 1.00 0.22 H new ATOM 0 HB3 ALA A 117 1.134 -8.685 -0.801 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.123 -11.452 0.513 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.522 -11.879 0.461 1.00 0.25 C ATOM 1399 C PRO A 118 -2.281 -11.125 -0.627 1.00 0.22 C ATOM 1400 O PRO A 118 -2.083 -9.928 -0.812 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.047 -11.493 1.835 1.00 0.28 C ATOM 1402 CG PRO A 118 -0.861 -11.601 2.730 1.00 0.32 C ATOM 1403 CD PRO A 118 0.324 -11.200 1.898 1.00 0.29 C ATOM 0 HA PRO A 118 -1.637 -12.938 0.231 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.454 -10.482 1.835 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.848 -12.159 2.155 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -0.967 -10.950 3.598 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.747 -12.618 3.106 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.585 -10.153 2.051 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.207 -11.788 2.148 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.137 -11.832 -1.342 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.818 -11.276 -2.513 1.00 0.32 C ATOM 1413 C ASP A 119 -4.698 -10.061 -2.196 1.00 0.31 C ATOM 1414 O ASP A 119 -5.140 -9.388 -3.114 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.646 -12.347 -3.228 1.00 0.41 C ATOM 1416 CG ASP A 119 -5.920 -12.708 -2.493 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -5.829 -13.164 -1.333 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -7.015 -12.520 -3.059 1.00 1.26 O ATOM 0 H ASP A 119 -3.383 -12.800 -1.136 1.00 0.28 H new ATOM 0 HA ASP A 119 -3.024 -10.925 -3.172 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -4.899 -11.994 -4.228 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.039 -13.244 -3.351 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.997 -9.796 -0.922 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.689 -8.562 -0.563 1.00 0.32 C ATOM 1425 C PHE A 120 -4.667 -7.491 -0.242 1.00 0.22 C ATOM 1426 O PHE A 120 -4.765 -6.345 -0.680 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.641 -8.766 0.621 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.464 -7.547 0.956 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.784 -6.614 -0.022 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.917 -7.335 2.249 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.534 -5.494 0.284 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.672 -6.218 2.560 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.979 -5.297 1.578 1.00 1.86 C ATOM 0 H PHE A 120 -4.775 -10.408 -0.137 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.296 -8.250 -1.413 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.312 -9.596 0.397 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.060 -9.053 1.497 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.442 -6.766 -1.035 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.678 -8.050 3.022 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.772 -4.775 -0.486 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -9.021 -6.066 3.571 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.566 -4.424 1.821 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.672 -7.903 0.514 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.653 -7.023 1.019 1.00 0.17 C ATOM 1445 C VAL A 121 -1.782 -6.509 -0.096 1.00 0.15 C ATOM 1446 O VAL A 121 -1.305 -5.377 -0.046 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.806 -7.769 2.040 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.720 -6.867 2.600 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.725 -8.298 3.120 1.00 0.22 C ATOM 0 H VAL A 121 -3.551 -8.876 0.797 1.00 0.19 H new ATOM 0 HA VAL A 121 -3.133 -6.167 1.493 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.293 -8.608 1.570 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.127 -7.421 3.328 1.00 0.19 H new ATOM 0 HG12 VAL A 121 -0.075 -6.527 1.789 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.177 -6.005 3.085 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.139 -8.837 3.864 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.241 -7.466 3.598 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.457 -8.973 2.676 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.560 -7.354 -1.088 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.887 -6.922 -2.276 1.00 0.19 C ATOM 1461 C GLY A 122 -1.501 -5.662 -2.828 1.00 0.16 C ATOM 1462 O GLY A 122 -0.801 -4.683 -3.010 1.00 0.14 O ATOM 0 H GLY A 122 -1.838 -8.335 -1.084 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.167 -6.749 -2.057 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.931 -7.710 -3.028 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.817 -5.669 -3.057 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.479 -4.507 -3.649 1.00 0.19 C ATOM 1468 C ASP A 123 -3.504 -3.384 -2.639 1.00 0.13 C ATOM 1469 O ASP A 123 -3.431 -2.224 -2.997 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.928 -4.773 -4.080 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.123 -5.988 -4.947 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -4.948 -7.115 -4.435 1.00 1.07 O ATOM 1473 OD2 ASP A 123 -5.408 -5.829 -6.142 1.00 0.68 O ATOM 0 H ASP A 123 -3.435 -6.452 -2.845 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.907 -4.254 -4.542 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -5.543 -4.881 -3.186 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.297 -3.899 -4.617 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.666 -3.748 -1.376 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.599 -2.794 -0.279 1.00 0.10 C ATOM 1480 C ILE A 124 -2.304 -1.993 -0.331 1.00 0.09 C ATOM 1481 O ILE A 124 -2.311 -0.771 -0.521 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.750 -3.513 1.083 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.230 -3.744 1.385 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.095 -2.712 2.207 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.475 -4.471 2.690 1.00 0.22 C ATOM 0 H ILE A 124 -3.847 -4.708 -1.083 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.429 -2.096 -0.387 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.242 -4.475 1.022 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.741 -2.782 1.413 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.674 -4.317 0.571 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.218 -3.243 3.151 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.033 -2.589 1.995 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.566 -1.732 2.278 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.547 -4.600 2.839 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -4.993 -5.448 2.658 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.062 -3.889 3.514 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.199 -2.682 -0.176 1.00 0.08 N ATOM 1498 CA LEU A 125 0.092 -2.066 -0.286 1.00 0.08 C ATOM 1499 C LEU A 125 0.299 -1.480 -1.673 1.00 0.09 C ATOM 1500 O LEU A 125 0.795 -0.370 -1.801 1.00 0.10 O ATOM 1501 CB LEU A 125 1.159 -3.084 0.072 1.00 0.08 C ATOM 1502 CG LEU A 125 1.525 -3.085 1.544 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.387 -4.284 1.886 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.237 -1.790 1.884 1.00 0.09 C ATOM 0 H LEU A 125 -1.174 -3.681 0.029 1.00 0.08 H new ATOM 0 HA LEU A 125 0.163 -1.233 0.413 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.810 -4.078 -0.208 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.054 -2.883 -0.517 1.00 0.08 H new ATOM 0 HG LEU A 125 0.615 -3.158 2.139 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.636 -4.262 2.947 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.842 -5.200 1.660 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.304 -4.253 1.297 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.502 -1.787 2.941 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.142 -1.704 1.283 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.579 -0.947 1.672 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.137 -2.194 -2.698 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.018 -1.707 -4.065 1.00 0.10 C ATOM 1518 C TRP A 126 -0.768 -0.385 -4.241 1.00 0.11 C ATOM 1519 O TRP A 126 -0.294 0.503 -4.946 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.525 -2.737 -5.083 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.499 -2.207 -6.474 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.573 -1.900 -7.250 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.664 -1.888 -7.238 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.145 -1.379 -8.451 1.00 0.25 N ATOM 1525 CE2 TRP A 126 0.225 -1.370 -8.466 1.00 0.21 C ATOM 1526 CE3 TRP A 126 2.032 -1.987 -6.996 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 1.114 -0.947 -9.452 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.913 -1.570 -7.974 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.450 -1.054 -9.187 1.00 0.25 C ATOM 0 H TRP A 126 -0.576 -3.111 -2.611 1.00 0.09 H new ATOM 0 HA TRP A 126 1.043 -1.540 -4.253 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.089 -3.636 -5.026 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.543 -3.030 -4.826 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.605 -2.043 -6.967 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -1.749 -1.053 -9.206 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.397 -2.383 -6.060 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.760 -0.549 -10.391 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.976 -1.644 -7.799 1.00 0.22 H new ATOM 0 HH2 TRP A 126 3.164 -0.733 -9.931 1.00 0.25 H new ATOM 1540 N GLU A 127 -1.931 -0.253 -3.602 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.664 1.002 -3.629 1.00 0.12 C ATOM 1542 C GLU A 127 -1.801 2.109 -3.100 1.00 0.12 C ATOM 1543 O GLU A 127 -1.503 3.040 -3.822 1.00 0.14 O ATOM 1544 CB GLU A 127 -3.957 0.948 -2.826 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.197 0.887 -3.700 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.382 2.119 -4.563 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -4.725 2.219 -5.619 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.205 2.982 -4.200 1.00 1.43 O ATOM 0 H GLU A 127 -2.378 -0.996 -3.065 1.00 0.11 H new ATOM 0 HA GLU A 127 -2.931 1.188 -4.669 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -3.936 0.075 -2.173 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.016 1.826 -2.183 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.138 0.008 -4.342 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.074 0.761 -3.066 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.370 2.013 -1.847 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.520 3.064 -1.309 1.00 0.11 C ATOM 1557 C HIS A 128 0.737 3.194 -2.143 1.00 0.10 C ATOM 1558 O HIS A 128 1.223 4.296 -2.311 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.155 2.857 0.166 1.00 0.11 C ATOM 1560 CG HIS A 128 0.389 4.111 0.807 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.926 4.152 2.077 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.441 5.384 0.343 1.00 0.14 C ATOM 1563 CE1 HIS A 128 1.280 5.398 2.366 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.997 6.159 1.328 1.00 0.15 N ATOM 0 H HIS A 128 -1.585 1.249 -1.207 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.099 3.986 -1.358 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.038 2.527 0.713 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.585 2.061 0.246 1.00 0.11 H new ATOM 0 HD1 HIS A 128 1.034 3.350 2.697 1.00 0.14 H new ATOM 0 HD2 HIS A 128 0.106 5.725 -0.625 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.724 5.731 3.293 1.00 0.15 H new ATOM 0 HE2 HIS A 128 1.165 7.163 1.267 1.00 0.15 H new ATOM 1573 N LEU A 129 1.248 2.087 -2.684 1.00 0.10 N ATOM 1574 CA LEU A 129 2.376 2.140 -3.594 1.00 0.12 C ATOM 1575 C LEU A 129 2.052 3.105 -4.700 1.00 0.15 C ATOM 1576 O LEU A 129 2.828 4.007 -5.016 1.00 0.18 O ATOM 1577 CB LEU A 129 2.674 0.747 -4.176 1.00 0.11 C ATOM 1578 CG LEU A 129 3.911 0.658 -5.062 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.959 1.629 -4.586 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.480 -0.745 -5.029 1.00 0.13 C ATOM 0 H LEU A 129 0.894 1.148 -2.504 1.00 0.10 H new ATOM 0 HA LEU A 129 3.263 2.472 -3.054 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.788 0.044 -3.351 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.810 0.421 -4.755 1.00 0.11 H new ATOM 0 HG LEU A 129 3.622 0.906 -6.083 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.839 1.557 -5.226 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.561 2.643 -4.628 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.237 1.390 -3.559 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.363 -0.795 -5.666 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.756 -1.002 -4.006 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.731 -1.450 -5.391 1.00 0.13 H new ATOM 1592 N GLU A 130 0.876 2.932 -5.249 1.00 0.17 N ATOM 1593 CA GLU A 130 0.416 3.788 -6.292 1.00 0.23 C ATOM 1594 C GLU A 130 0.185 5.194 -5.745 1.00 0.25 C ATOM 1595 O GLU A 130 0.642 6.166 -6.329 1.00 0.37 O ATOM 1596 CB GLU A 130 -0.862 3.223 -6.928 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.102 3.717 -8.345 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.449 3.296 -8.893 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -2.620 2.105 -9.208 1.00 1.80 O ATOM 1600 OE2 GLU A 130 -3.343 4.161 -9.019 1.00 1.73 O ATOM 0 H GLU A 130 0.221 2.197 -4.982 1.00 0.17 H new ATOM 0 HA GLU A 130 1.177 3.842 -7.070 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.804 2.135 -6.936 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.717 3.492 -6.308 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -1.032 4.805 -8.362 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -0.315 3.336 -8.996 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.521 5.284 -4.617 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.835 6.560 -3.956 1.00 0.21 C ATOM 1609 C ILE A 131 0.417 7.424 -3.790 1.00 0.22 C ATOM 1610 O ILE A 131 0.376 8.635 -4.020 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.484 6.324 -2.571 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.004 6.148 -2.659 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.191 7.474 -1.626 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.470 5.092 -3.622 1.00 0.23 C ATOM 0 H ILE A 131 -0.896 4.470 -4.130 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.543 7.086 -4.596 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.045 5.402 -2.189 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.384 5.905 -1.667 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.448 7.101 -2.946 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.660 7.280 -0.661 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.113 7.570 -1.493 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.589 8.399 -2.044 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.559 5.045 -3.611 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.127 5.339 -4.627 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.062 4.125 -3.327 1.00 0.23 H new ATOM 1626 N LEU A 132 1.521 6.787 -3.387 1.00 0.18 N ATOM 1627 CA LEU A 132 2.803 7.477 -3.234 1.00 0.20 C ATOM 1628 C LEU A 132 3.140 8.222 -4.515 1.00 0.25 C ATOM 1629 O LEU A 132 3.676 9.330 -4.503 1.00 0.29 O ATOM 1630 CB LEU A 132 3.938 6.487 -2.956 1.00 0.21 C ATOM 1631 CG LEU A 132 3.668 5.418 -1.908 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.578 4.229 -2.152 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.885 5.947 -0.494 1.00 0.25 C ATOM 0 H LEU A 132 1.551 5.793 -3.161 1.00 0.18 H new ATOM 0 HA LEU A 132 2.707 8.165 -2.394 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.193 5.990 -3.892 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.816 7.054 -2.646 1.00 0.21 H new ATOM 0 HG LEU A 132 2.624 5.116 -1.996 1.00 0.21 H new ATOM 0 HD11 LEU A 132 4.385 3.463 -1.401 1.00 0.23 H new ATOM 0 HD12 LEU A 132 4.386 3.821 -3.144 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.618 4.547 -2.086 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.682 5.154 0.226 1.00 0.25 H new ATOM 0 HD22 LEU A 132 4.917 6.281 -0.385 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.211 6.784 -0.311 1.00 0.25 H new ATOM 1645 N GLN A 133 2.797 7.581 -5.616 1.00 0.28 N ATOM 1646 CA GLN A 133 3.055 8.115 -6.932 1.00 0.38 C ATOM 1647 C GLN A 133 1.992 9.139 -7.292 1.00 0.37 C ATOM 1648 O GLN A 133 2.297 10.189 -7.862 1.00 0.47 O ATOM 1649 CB GLN A 133 3.091 6.975 -7.960 1.00 0.58 C ATOM 1650 CG GLN A 133 4.215 5.978 -7.713 1.00 0.79 C ATOM 1651 CD GLN A 133 3.971 4.622 -8.352 1.00 0.65 C ATOM 1652 OE1 GLN A 133 4.336 4.383 -9.501 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.377 3.714 -7.590 1.00 0.31 N ATOM 0 H GLN A 133 2.331 6.674 -5.619 1.00 0.28 H new ATOM 0 HA GLN A 133 4.025 8.612 -6.938 1.00 0.38 H new ATOM 0 HB2 GLN A 133 2.137 6.448 -7.942 1.00 0.58 H new ATOM 0 HB3 GLN A 133 3.203 7.398 -8.958 1.00 0.58 H new ATOM 0 HG2 GLN A 133 5.147 6.390 -8.099 1.00 0.79 H new ATOM 0 HG3 GLN A 133 4.345 5.847 -6.639 1.00 0.79 H new ATOM 0 HE21 GLN A 133 3.090 3.954 -6.641 1.00 0.31 H new ATOM 0 HE22 GLN A 133 3.208 2.776 -7.953 1.00 0.31 H new ATOM 1662 N LYS A 134 0.744 8.845 -6.937 1.00 0.36 N ATOM 1663 CA LYS A 134 -0.391 9.683 -7.283 1.00 0.44 C ATOM 1664 C LYS A 134 -0.351 11.094 -6.716 1.00 0.50 C ATOM 1665 O LYS A 134 -0.979 11.986 -7.290 1.00 0.61 O ATOM 1666 CB LYS A 134 -1.682 8.987 -6.859 1.00 0.49 C ATOM 1667 CG LYS A 134 -2.060 7.880 -7.808 1.00 1.04 C ATOM 1668 CD LYS A 134 -2.134 6.577 -7.070 1.00 1.77 C ATOM 1669 CE LYS A 134 -3.517 6.337 -6.502 1.00 2.51 C ATOM 1670 NZ LYS A 134 -4.517 6.036 -7.558 1.00 3.42 N ATOM 0 H LYS A 134 0.495 8.015 -6.399 1.00 0.36 H new ATOM 0 HA LYS A 134 -0.345 9.811 -8.364 1.00 0.44 H new ATOM 0 HB2 LYS A 134 -1.562 8.580 -5.855 1.00 0.49 H new ATOM 0 HB3 LYS A 134 -2.490 9.717 -6.812 1.00 0.49 H new ATOM 0 HG2 LYS A 134 -3.021 8.100 -8.272 1.00 1.04 H new ATOM 0 HG3 LYS A 134 -1.326 7.812 -8.611 1.00 1.04 H new ATOM 0 HD2 LYS A 134 -1.870 5.761 -7.743 1.00 1.77 H new ATOM 0 HD3 LYS A 134 -1.402 6.574 -6.262 1.00 1.77 H new ATOM 0 HE2 LYS A 134 -3.478 5.508 -5.795 1.00 2.51 H new ATOM 0 HE3 LYS A 134 -3.836 7.217 -5.944 1.00 2.51 H new ATOM 0 HZ1 LYS A 134 -5.322 5.527 -7.139 1.00 3.42 H new ATOM 0 HZ2 LYS A 134 -4.852 6.924 -7.982 1.00 3.42 H new ATOM 0 HZ3 LYS A 134 -4.079 5.445 -8.293 1.00 3.42 H new ATOM 1684 N GLU A 135 0.349 11.315 -5.604 1.00 0.57 N ATOM 1685 CA GLU A 135 0.451 12.664 -5.046 1.00 0.78 C ATOM 1686 C GLU A 135 0.861 13.671 -6.125 1.00 0.87 C ATOM 1687 O GLU A 135 0.400 14.813 -6.128 1.00 1.08 O ATOM 1688 CB GLU A 135 1.440 12.715 -3.876 1.00 0.91 C ATOM 1689 CG GLU A 135 1.355 14.018 -3.097 1.00 1.30 C ATOM 1690 CD GLU A 135 2.394 14.141 -2.004 1.00 1.73 C ATOM 1691 OE1 GLU A 135 2.119 13.708 -0.864 1.00 2.15 O ATOM 1692 OE2 GLU A 135 3.476 14.705 -2.270 1.00 2.31 O ATOM 0 H GLU A 135 0.845 10.594 -5.080 1.00 0.57 H new ATOM 0 HA GLU A 135 -0.535 12.934 -4.669 1.00 0.78 H new ATOM 0 HB2 GLU A 135 1.245 11.880 -3.203 1.00 0.91 H new ATOM 0 HB3 GLU A 135 2.454 12.588 -4.256 1.00 0.91 H new ATOM 0 HG2 GLU A 135 1.467 14.853 -3.789 1.00 1.30 H new ATOM 0 HG3 GLU A 135 0.363 14.102 -2.654 1.00 1.30 H new ATOM 1699 N ASP A 136 1.699 13.230 -7.058 1.00 0.86 N ATOM 1700 CA ASP A 136 2.110 14.068 -8.179 1.00 1.09 C ATOM 1701 C ASP A 136 1.980 13.316 -9.495 1.00 1.29 C ATOM 1702 O ASP A 136 2.821 13.446 -10.386 1.00 1.78 O ATOM 1703 CB ASP A 136 3.548 14.562 -8.001 1.00 1.62 C ATOM 1704 CG ASP A 136 3.650 15.717 -7.029 1.00 1.94 C ATOM 1705 OD1 ASP A 136 3.359 16.863 -7.430 1.00 2.53 O ATOM 1706 OD2 ASP A 136 4.031 15.491 -5.862 1.00 2.14 O ATOM 0 H ASP A 136 2.107 12.295 -7.060 1.00 0.86 H new ATOM 0 HA ASP A 136 1.447 14.933 -8.202 1.00 1.09 H new ATOM 0 HB2 ASP A 136 4.170 13.739 -7.648 1.00 1.62 H new ATOM 0 HB3 ASP A 136 3.945 14.870 -8.968 1.00 1.62 H new ATOM 1711 N VAL A 137 0.921 12.523 -9.613 1.00 1.29 N ATOM 1712 CA VAL A 137 0.640 11.807 -10.853 1.00 1.83 C ATOM 1713 C VAL A 137 -0.172 12.695 -11.795 1.00 2.01 C ATOM 1714 O VAL A 137 -0.363 12.384 -12.971 1.00 2.52 O ATOM 1715 CB VAL A 137 -0.118 10.481 -10.587 1.00 2.28 C ATOM 1716 CG1 VAL A 137 -1.554 10.741 -10.150 1.00 2.82 C ATOM 1717 CG2 VAL A 137 -0.077 9.573 -11.812 1.00 2.60 C ATOM 0 H VAL A 137 0.244 12.360 -8.868 1.00 1.29 H new ATOM 0 HA VAL A 137 1.593 11.558 -11.319 1.00 1.83 H new ATOM 0 HB VAL A 137 0.389 9.969 -9.769 1.00 2.28 H new ATOM 0 HG11 VAL A 137 -2.058 9.791 -9.972 1.00 2.82 H new ATOM 0 HG12 VAL A 137 -1.554 11.330 -9.233 1.00 2.82 H new ATOM 0 HG13 VAL A 137 -2.079 11.289 -10.933 1.00 2.82 H new ATOM 0 HG21 VAL A 137 -0.616 8.650 -11.599 1.00 2.60 H new ATOM 0 HG22 VAL A 137 -0.545 10.080 -12.656 1.00 2.60 H new ATOM 0 HG23 VAL A 137 0.959 9.340 -12.058 1.00 2.60 H new ATOM 1727 N LYS A 138 -0.644 13.811 -11.260 1.00 2.28 N ATOM 1728 CA LYS A 138 -1.424 14.763 -12.031 1.00 2.78 C ATOM 1729 C LYS A 138 -0.602 16.013 -12.329 1.00 3.41 C ATOM 1730 O LYS A 138 -1.000 17.114 -11.888 1.00 4.06 O ATOM 1731 CB LYS A 138 -2.700 15.135 -11.268 1.00 3.26 C ATOM 1732 CG LYS A 138 -2.462 15.433 -9.791 1.00 3.81 C ATOM 1733 CD LYS A 138 -3.605 16.226 -9.180 1.00 4.63 C ATOM 1734 CE LYS A 138 -3.425 17.726 -9.381 1.00 5.26 C ATOM 1735 NZ LYS A 138 -3.297 18.104 -10.814 1.00 5.57 N ATOM 1736 OXT LYS A 138 0.454 15.884 -12.976 1.00 3.77 O ATOM 0 H LYS A 138 -0.498 14.079 -10.287 1.00 2.28 H new ATOM 0 HA LYS A 138 -1.701 14.301 -12.979 1.00 2.78 H new ATOM 0 HB2 LYS A 138 -3.153 16.008 -11.738 1.00 3.26 H new ATOM 0 HB3 LYS A 138 -3.417 14.318 -11.355 1.00 3.26 H new ATOM 0 HG2 LYS A 138 -2.339 14.496 -9.247 1.00 3.81 H new ATOM 0 HG3 LYS A 138 -1.533 15.991 -9.679 1.00 3.81 H new ATOM 0 HD2 LYS A 138 -4.547 15.910 -9.628 1.00 4.63 H new ATOM 0 HD3 LYS A 138 -3.670 16.007 -8.114 1.00 4.63 H new ATOM 0 HE2 LYS A 138 -4.275 18.251 -8.946 1.00 5.26 H new ATOM 0 HE3 LYS A 138 -2.537 18.056 -8.842 1.00 5.26 H new ATOM 0 HZ1 LYS A 138 -3.347 19.139 -10.906 1.00 5.57 H new ATOM 0 HZ2 LYS A 138 -2.384 17.768 -11.182 1.00 5.57 H new ATOM 0 HZ3 LYS A 138 -4.070 17.670 -11.358 1.00 5.57 H new TER 1750 LYS A 138