USER MOD reduce.3.24.130724 H: found=0, std=0, add=1315, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1313 hydrogens (52 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 99 TYR OH : rot 165:sc= -0.226 USER MOD Set 1.2: A 101 THR OG1 : rot 72:sc= 0.765 USER MOD Set 1.3: A 110 HIS : no HD1:sc= -0.14 K(o=0.4,f=-1.4!) USER MOD Set 2.1: A 68 LYS NZ :NH3+ 134:sc= 0.0306 (180deg=-0.813) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 31 LYS NZ :NH3+ 180:sc= -0.0292 (180deg=0) USER MOD Set 3.2: A 32 MET CE :methyl -111:sc= -2.5 (180deg=-7.23!) USER MOD Set 4.1: A 21 ASN :FLIP amide:sc= -1.36 F(o=-5.1!,f=-2.4) USER MOD Set 4.2: A 142 MET CE :methyl 149:sc= -0.995 (180deg=-3.31!) USER MOD Set 5.1: A 14 TYR OH : rot 180:sc= -1.3 USER MOD Set 5.2: A 36 MET CE :methyl -174:sc= -3.13 (180deg=-1.45) USER MOD Single : A 1 MET CE :methyl 149:sc= -0.275 (180deg=-1.48!) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.602 (180deg=-0.715) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= -1.05! (180deg=-2.06!) USER MOD Single : A 20 SER OG : rot 140:sc= -1.62! USER MOD Single : A 22 THR OG1 : rot -73:sc= -0.974! USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= -0.506 (180deg=-3.47!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -167:sc= -3.95! (180deg=-4.81!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.408 USER MOD Single : A 48 LYS NZ :NH3+ -131:sc= -1.85 (180deg=-4.4!) USER MOD Single : A 50 SER OG : rot 13:sc= 0.348 USER MOD Single : A 51 TYR OH : rot 83:sc= -1.14 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= -0.0195 (180deg=-0.266) USER MOD Single : A 64 THR OG1 : rot -60:sc= -0.921 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -179:sc= 0.756 (180deg=0.611) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.396 USER MOD Single : A 70 SER OG : rot -32:sc= 0.286 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 53:sc= 1.48 USER MOD Single : A 82 LYS NZ :NH3+ -158:sc= -1.45 (180deg=-2.17) USER MOD Single : A 83 LYS NZ :NH3+ -140:sc= 0.0161 (180deg=-5.24!) USER MOD Single : A 84 LYS NZ :NH3+ 146:sc= -0.24 (180deg=-1.23!) USER MOD Single : A 90 THR OG1 : rot -142:sc= 0.126 USER MOD Single : A 92 TYR OH : rot -62:sc= -2.44! USER MOD Single : A 93 LYS NZ :NH3+ 134:sc= -0.0707 (180deg=-0.608) USER MOD Single : A 94 SER OG : rot 104:sc= -1.19! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 156:sc= -0.121 (180deg=-0.677) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl 166:sc= -2.57 (180deg=-4.16) USER MOD Single : A 112 MET CE :methyl -134:sc= -1.2 (180deg=-2.54!) USER MOD Single : A 115 TYR OH : rot 80:sc= -0.503 USER MOD Single : A 116 SER OG : rot -154:sc= 1.74 USER MOD Single : A 118 SER OG : rot -76:sc= 0.204 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0.00996 USER MOD Single : A 131 LYS NZ :NH3+ -164:sc= -0.0549 (180deg=-0.478) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 138 TYR OH : rot 180:sc= -2.73 USER MOD Single : A 139 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 145 MET CE :methyl -148:sc= -0.255 (180deg=-1.33) USER MOD Single : A 149 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.4!) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD Single : A 300 ACD O2 : rot 140:sc= -0.82 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.304 17.248 -25.785 1.00 0.00 N ATOM 2 CA MET A 1 -0.131 17.816 -25.060 1.00 52.33 C ATOM 3 C MET A 1 -0.623 18.716 -23.931 1.00 51.04 C ATOM 4 O MET A 1 0.169 19.387 -23.269 1.00 30.31 O ATOM 5 CB MET A 1 0.727 18.623 -26.037 1.00 13.13 C ATOM 6 CG MET A 1 1.266 17.697 -27.129 1.00 61.45 C ATOM 7 SD MET A 1 2.359 18.631 -28.232 1.00 3.13 S ATOM 8 CE MET A 1 3.666 18.984 -27.029 1.00 53.23 C ATOM 0 H1 MET A 1 -0.977 16.544 -26.477 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.946 16.793 -25.105 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.809 18.011 -26.280 1.00 0.00 H new ATOM 0 HA MET A 1 0.469 17.010 -24.639 1.00 52.33 H new ATOM 0 HB2 MET A 1 0.135 19.422 -26.483 1.00 13.13 H new ATOM 0 HB3 MET A 1 1.553 19.096 -25.506 1.00 13.13 H new ATOM 0 HG2 MET A 1 1.810 16.866 -26.680 1.00 61.45 H new ATOM 0 HG3 MET A 1 0.440 17.268 -27.696 1.00 61.45 H new ATOM 0 HE1 MET A 1 4.626 19.042 -27.541 1.00 53.23 H new ATOM 0 HE2 MET A 1 3.460 19.934 -26.536 1.00 53.23 H new ATOM 0 HE3 MET A 1 3.699 18.189 -26.284 1.00 53.23 H new ATOM 20 N THR A 2 -1.935 18.726 -23.717 1.00 3.32 N ATOM 21 CA THR A 2 -2.525 19.548 -22.665 1.00 31.51 C ATOM 22 C THR A 2 -2.426 18.842 -21.317 1.00 71.12 C ATOM 23 O THR A 2 -3.285 19.013 -20.451 1.00 74.10 O ATOM 24 CB THR A 2 -3.994 19.832 -22.987 1.00 64.55 C ATOM 25 OG1 THR A 2 -4.738 18.626 -22.893 1.00 52.22 O ATOM 26 CG2 THR A 2 -4.107 20.396 -24.404 1.00 22.21 C ATOM 0 H THR A 2 -2.607 18.178 -24.254 1.00 3.32 H new ATOM 0 HA THR A 2 -1.976 20.488 -22.612 1.00 31.51 H new ATOM 0 HB THR A 2 -4.389 20.559 -22.277 1.00 64.55 H new ATOM 0 HG1 THR A 2 -5.680 18.806 -23.097 1.00 52.22 H new ATOM 0 HG21 THR A 2 -5.153 20.598 -24.633 1.00 22.21 H new ATOM 0 HG22 THR A 2 -3.535 21.321 -24.474 1.00 22.21 H new ATOM 0 HG23 THR A 2 -3.713 19.671 -25.117 1.00 22.21 H new ATOM 34 N VAL A 3 -1.376 18.045 -21.145 1.00 51.41 N ATOM 35 CA VAL A 3 -1.178 17.315 -19.899 1.00 50.35 C ATOM 36 C VAL A 3 -1.117 18.285 -18.716 1.00 51.14 C ATOM 37 O VAL A 3 -0.650 19.416 -18.864 1.00 15.20 O ATOM 38 CB VAL A 3 0.121 16.511 -19.970 1.00 31.51 C ATOM 39 CG1 VAL A 3 -0.018 15.405 -21.016 1.00 44.41 C ATOM 40 CG2 VAL A 3 1.273 17.440 -20.364 1.00 4.21 C ATOM 0 H VAL A 3 -0.654 17.889 -21.848 1.00 51.41 H new ATOM 0 HA VAL A 3 -2.019 16.636 -19.756 1.00 50.35 H new ATOM 0 HB VAL A 3 0.326 16.066 -18.996 1.00 31.51 H new ATOM 0 HG11 VAL A 3 0.908 14.833 -21.066 1.00 44.41 H new ATOM 0 HG12 VAL A 3 -0.839 14.743 -20.739 1.00 44.41 H new ATOM 0 HG13 VAL A 3 -0.223 15.849 -21.990 1.00 44.41 H new ATOM 0 HG21 VAL A 3 2.200 16.869 -20.415 1.00 4.21 H new ATOM 0 HG22 VAL A 3 1.066 17.884 -21.338 1.00 4.21 H new ATOM 0 HG23 VAL A 3 1.374 18.230 -19.620 1.00 4.21 H new ATOM 50 N PRO A 4 -1.569 17.876 -17.555 1.00 73.12 N ATOM 51 CA PRO A 4 -1.551 18.744 -16.339 1.00 12.34 C ATOM 52 C PRO A 4 -0.134 18.952 -15.807 1.00 15.51 C ATOM 53 O PRO A 4 0.782 18.201 -16.142 1.00 74.25 O ATOM 54 CB PRO A 4 -2.415 17.973 -15.333 1.00 35.35 C ATOM 55 CG PRO A 4 -2.299 16.542 -15.744 1.00 23.14 C ATOM 56 CD PRO A 4 -2.147 16.548 -17.266 1.00 53.44 C ATOM 0 HA PRO A 4 -1.924 19.748 -16.541 1.00 12.34 H new ATOM 0 HB2 PRO A 4 -2.061 18.121 -14.313 1.00 35.35 H new ATOM 0 HB3 PRO A 4 -3.451 18.310 -15.362 1.00 35.35 H new ATOM 0 HG2 PRO A 4 -1.440 16.069 -15.269 1.00 23.14 H new ATOM 0 HG3 PRO A 4 -3.181 15.977 -15.443 1.00 23.14 H new ATOM 0 HD2 PRO A 4 -1.494 15.744 -17.606 1.00 53.44 H new ATOM 0 HD3 PRO A 4 -3.107 16.412 -17.765 1.00 53.44 H new ATOM 64 N ASP A 5 0.036 19.975 -14.976 1.00 12.22 N ATOM 65 CA ASP A 5 1.343 20.273 -14.402 1.00 22.15 C ATOM 66 C ASP A 5 1.651 19.324 -13.248 1.00 22.21 C ATOM 67 O ASP A 5 1.274 19.579 -12.105 1.00 60.12 O ATOM 68 CB ASP A 5 1.377 21.717 -13.902 1.00 34.44 C ATOM 69 CG ASP A 5 0.152 21.999 -13.039 1.00 21.53 C ATOM 70 OD1 ASP A 5 -0.524 21.051 -12.677 1.00 32.44 O ATOM 71 OD2 ASP A 5 -0.094 23.160 -12.753 1.00 50.33 O ATOM 0 H ASP A 5 -0.710 20.608 -14.686 1.00 12.22 H new ATOM 0 HA ASP A 5 2.098 20.140 -15.177 1.00 22.15 H new ATOM 0 HB2 ASP A 5 2.286 21.890 -13.325 1.00 34.44 H new ATOM 0 HB3 ASP A 5 1.401 22.403 -14.749 1.00 34.44 H new ATOM 76 N ARG A 6 2.340 18.230 -13.556 1.00 61.24 N ATOM 77 CA ARG A 6 2.693 17.248 -12.538 1.00 11.45 C ATOM 78 C ARG A 6 3.569 17.881 -11.462 1.00 51.04 C ATOM 79 O ARG A 6 3.490 17.519 -10.289 1.00 22.12 O ATOM 80 CB ARG A 6 3.437 16.075 -13.181 1.00 11.40 C ATOM 81 CG ARG A 6 4.693 16.590 -13.888 1.00 43.01 C ATOM 82 CD ARG A 6 5.220 15.519 -14.844 1.00 14.15 C ATOM 83 NE ARG A 6 4.223 15.223 -15.868 1.00 25.21 N ATOM 84 CZ ARG A 6 4.566 14.641 -17.013 1.00 74.32 C ATOM 85 NH1 ARG A 6 5.813 14.327 -17.237 1.00 62.45 N ATOM 86 NH2 ARG A 6 3.657 14.385 -17.913 1.00 72.43 N ATOM 0 H ARG A 6 2.663 18.002 -14.496 1.00 61.24 H new ATOM 0 HA ARG A 6 1.775 16.886 -12.075 1.00 11.45 H new ATOM 0 HB2 ARG A 6 3.710 15.343 -12.421 1.00 11.40 H new ATOM 0 HB3 ARG A 6 2.788 15.567 -13.894 1.00 11.40 H new ATOM 0 HG2 ARG A 6 4.464 17.502 -14.439 1.00 43.01 H new ATOM 0 HG3 ARG A 6 5.457 16.844 -13.154 1.00 43.01 H new ATOM 0 HD2 ARG A 6 6.143 15.862 -15.313 1.00 14.15 H new ATOM 0 HD3 ARG A 6 5.462 14.613 -14.289 1.00 14.15 H new ATOM 0 HE ARG A 6 3.247 15.467 -15.702 1.00 25.21 H new ATOM 0 HH11 ARG A 6 6.524 14.528 -16.534 1.00 62.45 H new ATOM 0 HH12 ARG A 6 6.077 13.880 -18.115 1.00 62.45 H new ATOM 0 HH21 ARG A 6 2.683 14.631 -17.738 1.00 72.43 H new ATOM 0 HH22 ARG A 6 3.921 13.938 -18.791 1.00 72.43 H new ATOM 100 N SER A 7 4.401 18.830 -11.871 1.00 24.50 N ATOM 101 CA SER A 7 5.286 19.513 -10.936 1.00 15.21 C ATOM 102 C SER A 7 4.485 20.143 -9.800 1.00 62.44 C ATOM 103 O SER A 7 4.975 20.266 -8.677 1.00 0.01 O ATOM 104 CB SER A 7 6.079 20.598 -11.666 1.00 52.42 C ATOM 105 OG SER A 7 7.063 21.130 -10.789 1.00 23.24 O ATOM 0 H SER A 7 4.482 19.143 -12.838 1.00 24.50 H new ATOM 0 HA SER A 7 5.974 18.780 -10.516 1.00 15.21 H new ATOM 0 HB2 SER A 7 6.554 20.182 -12.555 1.00 52.42 H new ATOM 0 HB3 SER A 7 5.410 21.389 -12.003 1.00 52.42 H new ATOM 0 HG SER A 7 7.574 21.825 -11.254 1.00 23.24 H new ATOM 111 N GLU A 8 3.260 20.554 -10.106 1.00 55.43 N ATOM 112 CA GLU A 8 2.403 21.189 -9.109 1.00 74.40 C ATOM 113 C GLU A 8 2.145 20.263 -7.922 1.00 61.42 C ATOM 114 O GLU A 8 2.347 20.655 -6.773 1.00 24.35 O ATOM 115 CB GLU A 8 1.069 21.584 -9.749 1.00 43.14 C ATOM 116 CG GLU A 8 0.294 22.499 -8.799 1.00 42.40 C ATOM 117 CD GLU A 8 0.982 23.857 -8.705 1.00 53.01 C ATOM 118 OE1 GLU A 8 1.681 24.211 -9.640 1.00 42.34 O ATOM 119 OE2 GLU A 8 0.800 24.523 -7.699 1.00 45.21 O ATOM 0 H GLU A 8 2.839 20.460 -11.030 1.00 55.43 H new ATOM 0 HA GLU A 8 2.917 22.077 -8.742 1.00 74.40 H new ATOM 0 HB2 GLU A 8 1.246 22.093 -10.697 1.00 43.14 H new ATOM 0 HB3 GLU A 8 0.482 20.692 -9.970 1.00 43.14 H new ATOM 0 HG2 GLU A 8 -0.729 22.624 -9.155 1.00 42.40 H new ATOM 0 HG3 GLU A 8 0.234 22.043 -7.811 1.00 42.40 H new ATOM 126 N ILE A 9 1.691 19.040 -8.194 1.00 32.20 N ATOM 127 CA ILE A 9 1.412 18.095 -7.113 1.00 44.52 C ATOM 128 C ILE A 9 2.679 17.371 -6.672 1.00 71.22 C ATOM 129 O ILE A 9 2.817 17.009 -5.503 1.00 34.23 O ATOM 130 CB ILE A 9 0.366 17.057 -7.546 1.00 12.34 C ATOM 131 CG1 ILE A 9 -0.083 16.270 -6.296 1.00 51.22 C ATOM 132 CG2 ILE A 9 0.987 16.116 -8.583 1.00 71.51 C ATOM 133 CD1 ILE A 9 -0.979 15.075 -6.665 1.00 22.25 C ATOM 0 H ILE A 9 1.511 18.685 -9.133 1.00 32.20 H new ATOM 0 HA ILE A 9 1.022 18.673 -6.275 1.00 44.52 H new ATOM 0 HB ILE A 9 -0.499 17.544 -7.997 1.00 12.34 H new ATOM 0 HG12 ILE A 9 0.794 15.914 -5.756 1.00 51.22 H new ATOM 0 HG13 ILE A 9 -0.623 16.935 -5.622 1.00 51.22 H new ATOM 0 HG21 ILE A 9 0.248 15.377 -8.893 1.00 71.51 H new ATOM 0 HG22 ILE A 9 1.310 16.692 -9.450 1.00 71.51 H new ATOM 0 HG23 ILE A 9 1.846 15.608 -8.145 1.00 71.51 H new ATOM 0 HD11 ILE A 9 -1.274 14.547 -5.758 1.00 22.25 H new ATOM 0 HD12 ILE A 9 -1.869 15.434 -7.181 1.00 22.25 H new ATOM 0 HD13 ILE A 9 -0.430 14.396 -7.317 1.00 22.25 H new ATOM 145 N ALA A 10 3.602 17.150 -7.601 1.00 72.21 N ATOM 146 CA ALA A 10 4.831 16.452 -7.247 1.00 65.35 C ATOM 147 C ALA A 10 5.719 17.341 -6.395 1.00 33.31 C ATOM 148 O ALA A 10 5.841 18.541 -6.639 1.00 3.55 O ATOM 149 CB ALA A 10 5.586 15.953 -8.484 1.00 40.42 C ATOM 0 H ALA A 10 3.528 17.435 -8.578 1.00 72.21 H new ATOM 0 HA ALA A 10 4.553 15.573 -6.666 1.00 65.35 H new ATOM 0 HB1 ALA A 10 6.495 15.439 -8.172 1.00 40.42 H new ATOM 0 HB2 ALA A 10 4.953 15.264 -9.043 1.00 40.42 H new ATOM 0 HB3 ALA A 10 5.847 16.801 -9.117 1.00 40.42 H new ATOM 155 N GLY A 11 6.326 16.736 -5.378 1.00 73.14 N ATOM 156 CA GLY A 11 7.195 17.457 -4.457 1.00 23.13 C ATOM 157 C GLY A 11 6.620 17.397 -3.044 1.00 62.21 C ATOM 158 O GLY A 11 7.363 17.371 -2.065 1.00 2.41 O ATOM 0 H GLY A 11 6.230 15.742 -5.171 1.00 73.14 H new ATOM 0 HA2 GLY A 11 8.194 17.022 -4.471 1.00 23.13 H new ATOM 0 HA3 GLY A 11 7.294 18.495 -4.775 1.00 23.13 H new ATOM 162 N LYS A 12 5.290 17.364 -2.947 1.00 50.22 N ATOM 163 CA LYS A 12 4.636 17.295 -1.644 1.00 64.23 C ATOM 164 C LYS A 12 3.168 16.876 -1.765 1.00 33.14 C ATOM 165 O LYS A 12 2.329 17.658 -2.214 1.00 23.54 O ATOM 166 CB LYS A 12 4.718 18.657 -0.951 1.00 54.11 C ATOM 167 CG LYS A 12 4.262 18.518 0.503 1.00 51.14 C ATOM 168 CD LYS A 12 4.298 19.888 1.182 1.00 1.44 C ATOM 169 CE LYS A 12 4.147 19.712 2.695 1.00 14.14 C ATOM 170 NZ LYS A 12 3.184 18.609 2.973 1.00 61.31 N ATOM 0 H LYS A 12 4.654 17.384 -3.744 1.00 50.22 H new ATOM 0 HA LYS A 12 5.156 16.540 -1.054 1.00 64.23 H new ATOM 0 HB2 LYS A 12 5.740 19.035 -0.988 1.00 54.11 H new ATOM 0 HB3 LYS A 12 4.091 19.381 -1.472 1.00 54.11 H new ATOM 0 HG2 LYS A 12 3.253 18.108 0.541 1.00 51.14 H new ATOM 0 HG3 LYS A 12 4.910 17.820 1.033 1.00 51.14 H new ATOM 0 HD2 LYS A 12 5.237 20.393 0.956 1.00 1.44 H new ATOM 0 HD3 LYS A 12 3.496 20.518 0.797 1.00 1.44 H new ATOM 0 HE2 LYS A 12 5.114 19.486 3.144 1.00 14.14 H new ATOM 0 HE3 LYS A 12 3.794 20.639 3.146 1.00 14.14 H new ATOM 0 HZ1 LYS A 12 2.964 18.588 3.989 1.00 61.31 H new ATOM 0 HZ2 LYS A 12 2.310 18.767 2.433 1.00 61.31 H new ATOM 0 HZ3 LYS A 12 3.606 17.701 2.691 1.00 61.31 H new ATOM 184 N TRP A 13 2.853 15.654 -1.327 1.00 70.35 N ATOM 185 CA TRP A 13 1.473 15.156 -1.348 1.00 13.43 C ATOM 186 C TRP A 13 1.019 15.006 0.104 1.00 24.03 C ATOM 187 O TRP A 13 1.728 14.397 0.906 1.00 52.23 O ATOM 188 CB TRP A 13 1.453 13.763 -2.012 1.00 71.25 C ATOM 189 CG TRP A 13 1.671 13.843 -3.466 1.00 54.10 C ATOM 190 CD1 TRP A 13 2.641 14.535 -4.090 1.00 2.22 C ATOM 191 CD2 TRP A 13 0.913 13.160 -4.495 1.00 25.22 C ATOM 192 NE1 TRP A 13 2.533 14.301 -5.440 1.00 24.14 N ATOM 193 CE2 TRP A 13 1.496 13.447 -5.732 1.00 45.02 C ATOM 194 CE3 TRP A 13 -0.204 12.308 -4.466 1.00 10.34 C ATOM 195 CZ2 TRP A 13 1.008 12.910 -6.914 1.00 1.41 C ATOM 196 CZ3 TRP A 13 -0.712 11.767 -5.658 1.00 62.30 C ATOM 197 CH2 TRP A 13 -0.100 12.062 -6.883 1.00 42.33 C ATOM 0 H TRP A 13 3.533 14.991 -0.954 1.00 70.35 H new ATOM 0 HA TRP A 13 0.824 15.837 -1.898 1.00 13.43 H new ATOM 0 HB2 TRP A 13 2.224 13.136 -1.564 1.00 71.25 H new ATOM 0 HB3 TRP A 13 0.496 13.281 -1.815 1.00 71.25 H new ATOM 0 HD1 TRP A 13 3.377 15.165 -3.613 1.00 2.22 H new ATOM 0 HE1 TRP A 13 3.149 14.712 -6.142 1.00 24.14 H new ATOM 0 HE3 TRP A 13 -0.674 12.068 -3.523 1.00 10.34 H new ATOM 0 HZ2 TRP A 13 1.483 13.147 -7.854 1.00 1.41 H new ATOM 0 HZ3 TRP A 13 -1.577 11.121 -5.630 1.00 62.30 H new ATOM 0 HH2 TRP A 13 -0.483 11.636 -7.798 1.00 42.33 H new ATOM 208 N TYR A 14 -0.121 15.592 0.472 1.00 55.13 N ATOM 209 CA TYR A 14 -0.580 15.531 1.863 1.00 3.33 C ATOM 210 C TYR A 14 -1.660 14.471 2.063 1.00 31.42 C ATOM 211 O TYR A 14 -2.722 14.538 1.457 1.00 34.32 O ATOM 212 CB TYR A 14 -1.136 16.913 2.265 1.00 20.12 C ATOM 213 CG TYR A 14 -0.335 17.501 3.405 1.00 42.10 C ATOM 214 CD1 TYR A 14 -0.180 16.779 4.593 1.00 62.44 C ATOM 215 CD2 TYR A 14 0.248 18.767 3.273 1.00 33.50 C ATOM 216 CE1 TYR A 14 0.556 17.325 5.649 1.00 44.23 C ATOM 217 CE2 TYR A 14 0.983 19.310 4.328 1.00 51.12 C ATOM 218 CZ TYR A 14 1.137 18.591 5.517 1.00 0.24 C ATOM 219 OH TYR A 14 1.862 19.130 6.560 1.00 12.22 O ATOM 0 H TYR A 14 -0.735 16.106 -0.160 1.00 55.13 H new ATOM 0 HA TYR A 14 0.269 15.258 2.490 1.00 3.33 H new ATOM 0 HB2 TYR A 14 -1.106 17.586 1.408 1.00 20.12 H new ATOM 0 HB3 TYR A 14 -2.181 16.818 2.559 1.00 20.12 H new ATOM 0 HD1 TYR A 14 -0.628 15.802 4.694 1.00 62.44 H new ATOM 0 HD2 TYR A 14 0.129 19.323 2.355 1.00 33.50 H new ATOM 0 HE1 TYR A 14 0.676 16.769 6.567 1.00 44.23 H new ATOM 0 HE2 TYR A 14 1.433 20.286 4.226 1.00 51.12 H new ATOM 0 HH TYR A 14 2.197 20.014 6.303 1.00 12.22 H new ATOM 229 N VAL A 15 -1.383 13.528 2.958 1.00 31.05 N ATOM 230 CA VAL A 15 -2.340 12.470 3.290 1.00 33.51 C ATOM 231 C VAL A 15 -3.142 12.893 4.517 1.00 44.40 C ATOM 232 O VAL A 15 -2.557 13.274 5.531 1.00 12.25 O ATOM 233 CB VAL A 15 -1.596 11.165 3.586 1.00 30.14 C ATOM 234 CG1 VAL A 15 -2.594 10.103 4.056 1.00 11.52 C ATOM 235 CG2 VAL A 15 -0.884 10.674 2.320 1.00 55.14 C ATOM 0 H VAL A 15 -0.502 13.472 3.469 1.00 31.05 H new ATOM 0 HA VAL A 15 -3.011 12.309 2.447 1.00 33.51 H new ATOM 0 HB VAL A 15 -0.857 11.342 4.367 1.00 30.14 H new ATOM 0 HG11 VAL A 15 -2.064 9.174 4.267 1.00 11.52 H new ATOM 0 HG12 VAL A 15 -3.094 10.449 4.961 1.00 11.52 H new ATOM 0 HG13 VAL A 15 -3.335 9.929 3.276 1.00 11.52 H new ATOM 0 HG21 VAL A 15 -0.356 9.745 2.536 1.00 55.14 H new ATOM 0 HG22 VAL A 15 -1.619 10.499 1.534 1.00 55.14 H new ATOM 0 HG23 VAL A 15 -0.170 11.428 1.988 1.00 55.14 H new ATOM 245 N VAL A 16 -4.477 12.859 4.428 1.00 72.41 N ATOM 246 CA VAL A 16 -5.305 13.288 5.561 1.00 62.20 C ATOM 247 C VAL A 16 -6.505 12.389 5.823 1.00 74.34 C ATOM 248 O VAL A 16 -7.320 12.712 6.686 1.00 14.05 O ATOM 249 CB VAL A 16 -5.817 14.701 5.325 1.00 71.13 C ATOM 250 CG1 VAL A 16 -4.632 15.680 5.208 1.00 21.45 C ATOM 251 CG2 VAL A 16 -6.647 14.729 4.036 1.00 41.30 C ATOM 0 H VAL A 16 -4.996 12.548 3.607 1.00 72.41 H new ATOM 0 HA VAL A 16 -4.656 13.235 6.435 1.00 62.20 H new ATOM 0 HB VAL A 16 -6.440 15.005 6.166 1.00 71.13 H new ATOM 0 HG11 VAL A 16 -5.009 16.689 5.039 1.00 21.45 H new ATOM 0 HG12 VAL A 16 -4.051 15.659 6.130 1.00 21.45 H new ATOM 0 HG13 VAL A 16 -3.998 15.385 4.372 1.00 21.45 H new ATOM 0 HG21 VAL A 16 -7.016 15.740 3.863 1.00 41.30 H new ATOM 0 HG22 VAL A 16 -6.025 14.421 3.196 1.00 41.30 H new ATOM 0 HG23 VAL A 16 -7.491 14.046 4.132 1.00 41.30 H new ATOM 261 N ALA A 17 -6.587 11.243 5.163 1.00 31.30 N ATOM 262 CA ALA A 17 -7.686 10.318 5.450 1.00 63.12 C ATOM 263 C ALA A 17 -7.589 9.086 4.576 1.00 50.22 C ATOM 264 O ALA A 17 -7.255 9.181 3.396 1.00 25.22 O ATOM 265 CB ALA A 17 -9.044 10.992 5.210 1.00 40.12 C ATOM 0 H ALA A 17 -5.931 10.933 4.446 1.00 31.30 H new ATOM 0 HA ALA A 17 -7.607 10.029 6.498 1.00 63.12 H new ATOM 0 HB1 ALA A 17 -9.845 10.286 5.430 1.00 40.12 H new ATOM 0 HB2 ALA A 17 -9.139 11.862 5.860 1.00 40.12 H new ATOM 0 HB3 ALA A 17 -9.114 11.308 4.169 1.00 40.12 H new ATOM 271 N LEU A 18 -7.857 7.920 5.158 1.00 41.03 N ATOM 272 CA LEU A 18 -7.763 6.674 4.405 1.00 14.30 C ATOM 273 C LEU A 18 -8.806 5.671 4.893 1.00 1.41 C ATOM 274 O LEU A 18 -9.130 5.618 6.080 1.00 54.35 O ATOM 275 CB LEU A 18 -6.327 6.117 4.568 1.00 13.23 C ATOM 276 CG LEU A 18 -6.278 4.574 4.439 1.00 44.51 C ATOM 277 CD1 LEU A 18 -4.959 4.155 3.786 1.00 73.45 C ATOM 278 CD2 LEU A 18 -6.362 3.924 5.827 1.00 42.33 C ATOM 0 H LEU A 18 -8.137 7.812 6.133 1.00 41.03 H new ATOM 0 HA LEU A 18 -7.965 6.856 3.349 1.00 14.30 H new ATOM 0 HB2 LEU A 18 -5.679 6.563 3.814 1.00 13.23 H new ATOM 0 HB3 LEU A 18 -5.934 6.411 5.541 1.00 13.23 H new ATOM 0 HG LEU A 18 -7.121 4.249 3.829 1.00 44.51 H new ATOM 0 HD11 LEU A 18 -4.926 3.069 3.696 1.00 73.45 H new ATOM 0 HD12 LEU A 18 -4.885 4.604 2.795 1.00 73.45 H new ATOM 0 HD13 LEU A 18 -4.125 4.493 4.401 1.00 73.45 H new ATOM 0 HD21 LEU A 18 -6.327 2.839 5.724 1.00 42.33 H new ATOM 0 HD22 LEU A 18 -5.522 4.258 6.437 1.00 42.33 H new ATOM 0 HD23 LEU A 18 -7.297 4.212 6.308 1.00 42.33 H new ATOM 290 N ALA A 19 -9.316 4.866 3.960 1.00 72.11 N ATOM 291 CA ALA A 19 -10.310 3.845 4.279 1.00 31.11 C ATOM 292 C ALA A 19 -9.748 2.468 3.964 1.00 13.13 C ATOM 293 O ALA A 19 -8.764 2.343 3.239 1.00 23.53 O ATOM 294 CB ALA A 19 -11.590 4.062 3.471 1.00 4.41 C ATOM 0 H ALA A 19 -9.055 4.903 2.975 1.00 72.11 H new ATOM 0 HA ALA A 19 -10.547 3.917 5.340 1.00 31.11 H new ATOM 0 HB1 ALA A 19 -12.316 3.290 3.725 1.00 4.41 H new ATOM 0 HB2 ALA A 19 -12.006 5.042 3.705 1.00 4.41 H new ATOM 0 HB3 ALA A 19 -11.362 4.009 2.406 1.00 4.41 H new ATOM 300 N SER A 20 -10.373 1.436 4.514 1.00 62.30 N ATOM 301 CA SER A 20 -9.908 0.078 4.281 1.00 12.45 C ATOM 302 C SER A 20 -10.952 -0.938 4.704 1.00 24.04 C ATOM 303 O SER A 20 -12.010 -0.588 5.227 1.00 71.24 O ATOM 304 CB SER A 20 -8.612 -0.169 5.051 1.00 43.13 C ATOM 305 OG SER A 20 -8.024 -1.383 4.602 1.00 1.05 O ATOM 0 H SER A 20 -11.192 1.512 5.117 1.00 62.30 H new ATOM 0 HA SER A 20 -9.727 -0.038 3.212 1.00 12.45 H new ATOM 0 HB2 SER A 20 -7.922 0.661 4.900 1.00 43.13 H new ATOM 0 HB3 SER A 20 -8.815 -0.224 6.120 1.00 43.13 H new ATOM 0 HG SER A 20 -7.052 -1.272 4.539 1.00 1.05 H new ATOM 311 N ASN A 21 -10.623 -2.205 4.498 1.00 54.23 N ATOM 312 CA ASN A 21 -11.504 -3.300 4.880 1.00 53.10 C ATOM 313 C ASN A 21 -10.871 -4.040 6.046 1.00 74.32 C ATOM 314 O ASN A 21 -11.514 -4.849 6.714 1.00 11.43 O ATOM 315 CB ASN A 21 -11.700 -4.257 3.703 1.00 23.03 C ATOM 316 CG ASN A 21 -12.383 -3.529 2.548 1.00 70.51 C ATOM 317 OD1 ASN A 21 -12.140 -3.901 1.321 1.00 72.43 O flip ATOM 318 ND2 ASN A 21 -13.157 -2.599 2.771 1.00 32.42 N flip ATOM 0 H ASN A 21 -9.748 -2.501 4.066 1.00 54.23 H new ATOM 0 HA ASN A 21 -12.479 -2.906 5.168 1.00 53.10 H new ATOM 0 HB2 ASN A 21 -10.736 -4.649 3.378 1.00 23.03 H new ATOM 0 HB3 ASN A 21 -12.303 -5.110 4.014 1.00 23.03 H new ATOM 0 HD21 ASN A 21 -13.345 -2.311 3.731 1.00 32.42 H new ATOM 0 HD22 ASN A 21 -13.611 -2.116 1.996 1.00 32.42 H new ATOM 325 N THR A 22 -9.597 -3.734 6.285 1.00 11.02 N ATOM 326 CA THR A 22 -8.856 -4.348 7.378 1.00 40.13 C ATOM 327 C THR A 22 -8.968 -3.479 8.630 1.00 24.02 C ATOM 328 O THR A 22 -8.388 -2.397 8.711 1.00 72.43 O ATOM 329 CB THR A 22 -7.386 -4.534 6.980 1.00 71.12 C ATOM 330 OG1 THR A 22 -6.749 -5.374 7.930 1.00 52.53 O ATOM 331 CG2 THR A 22 -6.666 -3.182 6.930 1.00 44.44 C ATOM 0 H THR A 22 -9.059 -3.064 5.735 1.00 11.02 H new ATOM 0 HA THR A 22 -9.280 -5.329 7.593 1.00 40.13 H new ATOM 0 HB THR A 22 -7.342 -4.988 5.990 1.00 71.12 H new ATOM 0 HG1 THR A 22 -6.609 -4.878 8.763 1.00 52.53 H new ATOM 0 HG21 THR A 22 -5.625 -3.335 6.646 1.00 44.44 H new ATOM 0 HG22 THR A 22 -7.152 -2.538 6.197 1.00 44.44 H new ATOM 0 HG23 THR A 22 -6.709 -2.710 7.912 1.00 44.44 H new ATOM 339 N GLU A 23 -9.758 -3.948 9.583 1.00 50.22 N ATOM 340 CA GLU A 23 -9.993 -3.204 10.815 1.00 21.22 C ATOM 341 C GLU A 23 -8.706 -2.593 11.359 1.00 33.42 C ATOM 342 O GLU A 23 -8.740 -1.565 12.031 1.00 60.34 O ATOM 343 CB GLU A 23 -10.603 -4.127 11.870 1.00 55.34 C ATOM 344 CG GLU A 23 -11.991 -4.579 11.414 1.00 23.42 C ATOM 345 CD GLU A 23 -12.626 -5.466 12.479 1.00 42.13 C ATOM 346 OE1 GLU A 23 -11.929 -5.832 13.411 1.00 72.44 O ATOM 347 OE2 GLU A 23 -13.802 -5.766 12.348 1.00 64.13 O ATOM 0 H GLU A 23 -10.249 -4.841 9.529 1.00 50.22 H new ATOM 0 HA GLU A 23 -10.683 -2.392 10.585 1.00 21.22 H new ATOM 0 HB2 GLU A 23 -9.960 -4.993 12.026 1.00 55.34 H new ATOM 0 HB3 GLU A 23 -10.674 -3.607 12.825 1.00 55.34 H new ATOM 0 HG2 GLU A 23 -12.623 -3.710 11.228 1.00 23.42 H new ATOM 0 HG3 GLU A 23 -11.914 -5.124 10.473 1.00 23.42 H new ATOM 354 N PHE A 24 -7.580 -3.224 11.078 1.00 12.32 N ATOM 355 CA PHE A 24 -6.301 -2.721 11.568 1.00 62.34 C ATOM 356 C PHE A 24 -6.037 -1.274 11.128 1.00 43.04 C ATOM 357 O PHE A 24 -5.639 -0.443 11.945 1.00 34.23 O ATOM 358 CB PHE A 24 -5.158 -3.619 11.079 1.00 11.12 C ATOM 359 CG PHE A 24 -5.588 -5.071 11.103 1.00 35.23 C ATOM 360 CD1 PHE A 24 -6.281 -5.590 12.207 1.00 51.11 C ATOM 361 CD2 PHE A 24 -5.287 -5.903 10.017 1.00 74.23 C ATOM 362 CE1 PHE A 24 -6.670 -6.935 12.220 1.00 43.22 C ATOM 363 CE2 PHE A 24 -5.678 -7.247 10.032 1.00 62.52 C ATOM 364 CZ PHE A 24 -6.370 -7.762 11.133 1.00 60.21 C ATOM 0 H PHE A 24 -7.520 -4.076 10.520 1.00 12.32 H new ATOM 0 HA PHE A 24 -6.348 -2.735 12.657 1.00 62.34 H new ATOM 0 HB2 PHE A 24 -4.869 -3.334 10.067 1.00 11.12 H new ATOM 0 HB3 PHE A 24 -4.281 -3.481 11.712 1.00 11.12 H new ATOM 0 HD1 PHE A 24 -6.514 -4.952 13.047 1.00 51.11 H new ATOM 0 HD2 PHE A 24 -4.752 -5.507 9.166 1.00 74.23 H new ATOM 0 HE1 PHE A 24 -7.202 -7.334 13.071 1.00 43.22 H new ATOM 0 HE2 PHE A 24 -5.445 -7.886 9.193 1.00 62.52 H new ATOM 0 HZ PHE A 24 -6.673 -8.799 11.144 1.00 60.21 H new ATOM 374 N PHE A 25 -6.200 -0.980 9.836 1.00 4.22 N ATOM 375 CA PHE A 25 -5.909 0.362 9.315 1.00 53.40 C ATOM 376 C PHE A 25 -6.911 1.434 9.774 1.00 44.12 C ATOM 377 O PHE A 25 -6.506 2.506 10.223 1.00 73.34 O ATOM 378 CB PHE A 25 -5.889 0.307 7.773 1.00 14.51 C ATOM 379 CG PHE A 25 -4.708 1.083 7.218 1.00 12.54 C ATOM 380 CD1 PHE A 25 -4.354 2.323 7.766 1.00 75.12 C ATOM 381 CD2 PHE A 25 -3.971 0.558 6.150 1.00 23.01 C ATOM 382 CE1 PHE A 25 -3.267 3.034 7.247 1.00 44.54 C ATOM 383 CE2 PHE A 25 -2.884 1.269 5.631 1.00 21.51 C ATOM 384 CZ PHE A 25 -2.532 2.508 6.180 1.00 1.40 C ATOM 0 H PHE A 25 -6.529 -1.645 9.135 1.00 4.22 H new ATOM 0 HA PHE A 25 -4.939 0.654 9.716 1.00 53.40 H new ATOM 0 HB2 PHE A 25 -5.835 -0.730 7.443 1.00 14.51 H new ATOM 0 HB3 PHE A 25 -6.818 0.719 7.378 1.00 14.51 H new ATOM 0 HD1 PHE A 25 -4.921 2.730 8.590 1.00 75.12 H new ATOM 0 HD2 PHE A 25 -4.242 -0.398 5.726 1.00 23.01 H new ATOM 0 HE1 PHE A 25 -2.995 3.990 7.671 1.00 44.54 H new ATOM 0 HE2 PHE A 25 -2.316 0.862 4.807 1.00 21.51 H new ATOM 0 HZ PHE A 25 -1.693 3.057 5.779 1.00 1.40 H new ATOM 394 N LEU A 26 -8.208 1.160 9.665 1.00 51.21 N ATOM 395 CA LEU A 26 -9.202 2.152 10.081 1.00 24.04 C ATOM 396 C LEU A 26 -9.187 2.322 11.595 1.00 24.21 C ATOM 397 O LEU A 26 -9.282 3.437 12.110 1.00 34.11 O ATOM 398 CB LEU A 26 -10.611 1.770 9.599 1.00 11.33 C ATOM 399 CG LEU A 26 -10.900 0.269 9.853 1.00 54.15 C ATOM 400 CD1 LEU A 26 -12.135 0.116 10.751 1.00 52.55 C ATOM 401 CD2 LEU A 26 -11.169 -0.443 8.518 1.00 64.21 C ATOM 0 H LEU A 26 -8.591 0.286 9.303 1.00 51.21 H new ATOM 0 HA LEU A 26 -8.936 3.102 9.619 1.00 24.04 H new ATOM 0 HB2 LEU A 26 -11.353 2.379 10.116 1.00 11.33 H new ATOM 0 HB3 LEU A 26 -10.706 1.987 8.535 1.00 11.33 H new ATOM 0 HG LEU A 26 -10.033 -0.174 10.342 1.00 54.15 H new ATOM 0 HD11 LEU A 26 -12.330 -0.942 10.924 1.00 52.55 H new ATOM 0 HD12 LEU A 26 -11.955 0.612 11.705 1.00 52.55 H new ATOM 0 HD13 LEU A 26 -12.998 0.569 10.263 1.00 52.55 H new ATOM 0 HD21 LEU A 26 -11.372 -1.498 8.703 1.00 64.21 H new ATOM 0 HD22 LEU A 26 -12.031 0.012 8.030 1.00 64.21 H new ATOM 0 HD23 LEU A 26 -10.295 -0.349 7.873 1.00 64.21 H new ATOM 413 N ARG A 27 -9.060 1.207 12.297 1.00 34.32 N ATOM 414 CA ARG A 27 -9.027 1.244 13.753 1.00 64.22 C ATOM 415 C ARG A 27 -7.895 2.153 14.224 1.00 1.05 C ATOM 416 O ARG A 27 -8.088 2.999 15.097 1.00 3.25 O ATOM 417 CB ARG A 27 -8.831 -0.164 14.323 1.00 51.33 C ATOM 418 CG ARG A 27 -8.804 -0.100 15.852 1.00 52.22 C ATOM 419 CD ARG A 27 -8.746 -1.518 16.421 1.00 54.13 C ATOM 420 NE ARG A 27 -9.905 -2.287 15.981 1.00 14.32 N ATOM 421 CZ ARG A 27 -9.994 -3.592 16.219 1.00 52.13 C ATOM 422 NH1 ARG A 27 -9.036 -4.206 16.856 1.00 34.32 N ATOM 423 NH2 ARG A 27 -11.041 -4.258 15.815 1.00 70.23 N ATOM 0 H ARG A 27 -8.979 0.275 11.890 1.00 34.32 H new ATOM 0 HA ARG A 27 -9.979 1.636 14.111 1.00 64.22 H new ATOM 0 HB2 ARG A 27 -9.638 -0.817 13.991 1.00 51.33 H new ATOM 0 HB3 ARG A 27 -7.900 -0.592 13.950 1.00 51.33 H new ATOM 0 HG2 ARG A 27 -7.940 0.473 16.187 1.00 52.22 H new ATOM 0 HG3 ARG A 27 -9.691 0.415 16.221 1.00 52.22 H new ATOM 0 HD2 ARG A 27 -7.829 -2.010 16.096 1.00 54.13 H new ATOM 0 HD3 ARG A 27 -8.718 -1.480 17.510 1.00 54.13 H new ATOM 0 HE ARG A 27 -10.660 -1.816 15.482 1.00 14.32 H new ATOM 0 HH11 ARG A 27 -8.218 -3.685 17.172 1.00 34.32 H new ATOM 0 HH12 ARG A 27 -9.105 -5.207 17.038 1.00 34.32 H new ATOM 0 HH21 ARG A 27 -11.790 -3.777 15.317 1.00 70.23 H new ATOM 0 HH22 ARG A 27 -11.110 -5.259 15.997 1.00 70.23 H new ATOM 437 N GLU A 28 -6.707 1.955 13.658 1.00 12.43 N ATOM 438 CA GLU A 28 -5.545 2.748 14.049 1.00 52.20 C ATOM 439 C GLU A 28 -5.514 4.118 13.365 1.00 15.22 C ATOM 440 O GLU A 28 -5.168 5.120 13.990 1.00 34.35 O ATOM 441 CB GLU A 28 -4.265 1.986 13.704 1.00 33.00 C ATOM 442 CG GLU A 28 -4.188 0.709 14.543 1.00 20.23 C ATOM 443 CD GLU A 28 -2.889 -0.033 14.246 1.00 43.21 C ATOM 444 OE1 GLU A 28 -2.219 0.342 13.298 1.00 0.13 O ATOM 445 OE2 GLU A 28 -2.584 -0.965 14.972 1.00 1.12 O ATOM 0 H GLU A 28 -6.524 1.260 12.934 1.00 12.43 H new ATOM 0 HA GLU A 28 -5.615 2.916 15.124 1.00 52.20 H new ATOM 0 HB2 GLU A 28 -4.252 1.738 12.643 1.00 33.00 H new ATOM 0 HB3 GLU A 28 -3.394 2.612 13.895 1.00 33.00 H new ATOM 0 HG2 GLU A 28 -4.241 0.957 15.603 1.00 20.23 H new ATOM 0 HG3 GLU A 28 -5.041 0.068 14.323 1.00 20.23 H new ATOM 452 N LYS A 29 -5.866 4.187 12.086 1.00 53.01 N ATOM 453 CA LYS A 29 -5.828 5.471 11.396 1.00 53.24 C ATOM 454 C LYS A 29 -6.532 6.536 12.225 1.00 15.32 C ATOM 455 O LYS A 29 -6.220 7.723 12.126 1.00 61.42 O ATOM 456 CB LYS A 29 -6.501 5.349 10.023 1.00 64.24 C ATOM 457 CG LYS A 29 -6.536 6.714 9.319 1.00 14.12 C ATOM 458 CD LYS A 29 -5.114 7.279 9.193 1.00 44.31 C ATOM 459 CE LYS A 29 -5.077 8.345 8.094 1.00 43.22 C ATOM 460 NZ LYS A 29 -3.852 9.179 8.253 1.00 33.11 N ATOM 0 H LYS A 29 -6.172 3.396 11.520 1.00 53.01 H new ATOM 0 HA LYS A 29 -4.787 5.763 11.258 1.00 53.24 H new ATOM 0 HB2 LYS A 29 -5.960 4.630 9.408 1.00 64.24 H new ATOM 0 HB3 LYS A 29 -7.515 4.968 10.141 1.00 64.24 H new ATOM 0 HG2 LYS A 29 -6.984 6.611 8.331 1.00 14.12 H new ATOM 0 HG3 LYS A 29 -7.162 7.406 9.882 1.00 14.12 H new ATOM 0 HD2 LYS A 29 -4.799 7.711 10.143 1.00 44.31 H new ATOM 0 HD3 LYS A 29 -4.413 6.477 8.959 1.00 44.31 H new ATOM 0 HE2 LYS A 29 -5.083 7.871 7.112 1.00 43.22 H new ATOM 0 HE3 LYS A 29 -5.967 8.972 8.150 1.00 43.22 H new ATOM 0 HZ1 LYS A 29 -4.097 10.182 8.130 1.00 33.11 H new ATOM 0 HZ2 LYS A 29 -3.454 9.033 9.203 1.00 33.11 H new ATOM 0 HZ3 LYS A 29 -3.149 8.904 7.537 1.00 33.11 H new ATOM 474 N ASP A 30 -7.491 6.103 13.026 1.00 25.34 N ATOM 475 CA ASP A 30 -8.249 7.023 13.858 1.00 24.43 C ATOM 476 C ASP A 30 -7.397 7.634 14.972 1.00 2.55 C ATOM 477 O ASP A 30 -7.742 8.696 15.492 1.00 42.30 O ATOM 478 CB ASP A 30 -9.441 6.292 14.477 1.00 21.02 C ATOM 479 CG ASP A 30 -10.346 7.288 15.196 1.00 23.24 C ATOM 480 OD1 ASP A 30 -10.246 8.467 14.903 1.00 64.35 O ATOM 481 OD2 ASP A 30 -11.128 6.855 16.028 1.00 74.02 O ATOM 0 H ASP A 30 -7.763 5.124 13.118 1.00 25.34 H new ATOM 0 HA ASP A 30 -8.591 7.836 13.217 1.00 24.43 H new ATOM 0 HB2 ASP A 30 -10.003 5.772 13.701 1.00 21.02 H new ATOM 0 HB3 ASP A 30 -9.090 5.535 15.178 1.00 21.02 H new ATOM 486 N LYS A 31 -6.304 6.966 15.371 1.00 21.32 N ATOM 487 CA LYS A 31 -5.476 7.495 16.463 1.00 0.23 C ATOM 488 C LYS A 31 -4.264 8.299 15.984 1.00 11.45 C ATOM 489 O LYS A 31 -3.726 9.092 16.757 1.00 4.11 O ATOM 490 CB LYS A 31 -5.045 6.375 17.434 1.00 43.32 C ATOM 491 CG LYS A 31 -3.933 5.498 16.836 1.00 62.53 C ATOM 492 CD LYS A 31 -2.535 6.142 17.036 1.00 44.01 C ATOM 493 CE LYS A 31 -1.794 6.249 15.691 1.00 10.32 C ATOM 494 NZ LYS A 31 -1.005 5.005 15.461 1.00 12.43 N ATOM 0 H LYS A 31 -5.981 6.086 14.969 1.00 21.32 H new ATOM 0 HA LYS A 31 -6.113 8.199 16.999 1.00 0.23 H new ATOM 0 HB2 LYS A 31 -4.697 6.817 18.367 1.00 43.32 H new ATOM 0 HB3 LYS A 31 -5.907 5.754 17.678 1.00 43.32 H new ATOM 0 HG2 LYS A 31 -3.952 4.514 17.304 1.00 62.53 H new ATOM 0 HG3 LYS A 31 -4.118 5.349 15.772 1.00 62.53 H new ATOM 0 HD2 LYS A 31 -2.644 7.132 17.478 1.00 44.01 H new ATOM 0 HD3 LYS A 31 -1.949 5.544 17.734 1.00 44.01 H new ATOM 0 HE2 LYS A 31 -2.508 6.395 14.880 1.00 10.32 H new ATOM 0 HE3 LYS A 31 -1.134 7.116 15.695 1.00 10.32 H new ATOM 0 HZ1 LYS A 31 -0.503 5.075 14.553 1.00 12.43 H new ATOM 0 HZ2 LYS A 31 -0.315 4.885 16.229 1.00 12.43 H new ATOM 0 HZ3 LYS A 31 -1.646 4.186 15.440 1.00 12.43 H new ATOM 508 N MET A 32 -3.813 8.129 14.738 1.00 31.34 N ATOM 509 CA MET A 32 -2.646 8.909 14.285 1.00 70.41 C ATOM 510 C MET A 32 -3.051 10.315 13.883 1.00 62.31 C ATOM 511 O MET A 32 -4.207 10.712 14.024 1.00 70.22 O ATOM 512 CB MET A 32 -1.922 8.251 13.089 1.00 62.10 C ATOM 513 CG MET A 32 -2.916 7.873 11.984 1.00 13.23 C ATOM 514 SD MET A 32 -2.257 6.468 11.047 1.00 11.22 S ATOM 515 CE MET A 32 -2.465 5.211 12.334 1.00 23.44 C ATOM 0 H MET A 32 -4.212 7.491 14.049 1.00 31.34 H new ATOM 0 HA MET A 32 -1.962 8.942 15.133 1.00 70.41 H new ATOM 0 HB2 MET A 32 -1.174 8.936 12.691 1.00 62.10 H new ATOM 0 HB3 MET A 32 -1.392 7.360 13.426 1.00 62.10 H new ATOM 0 HG2 MET A 32 -3.881 7.615 12.419 1.00 13.23 H new ATOM 0 HG3 MET A 32 -3.082 8.722 11.321 1.00 13.23 H new ATOM 0 HE1 MET A 32 -1.487 4.896 12.697 1.00 23.44 H new ATOM 0 HE2 MET A 32 -3.042 5.628 13.160 1.00 23.44 H new ATOM 0 HE3 MET A 32 -2.992 4.351 11.921 1.00 23.44 H new ATOM 525 N LYS A 33 -2.080 11.051 13.352 1.00 42.12 N ATOM 526 CA LYS A 33 -2.305 12.409 12.885 1.00 30.03 C ATOM 527 C LYS A 33 -2.177 12.426 11.365 1.00 12.20 C ATOM 528 O LYS A 33 -1.921 11.386 10.756 1.00 73.25 O ATOM 529 CB LYS A 33 -1.290 13.357 13.532 1.00 20.23 C ATOM 530 CG LYS A 33 -1.735 13.682 14.963 1.00 61.45 C ATOM 531 CD LYS A 33 -0.556 14.251 15.754 1.00 71.34 C ATOM 532 CE LYS A 33 -1.061 14.835 17.075 1.00 23.54 C ATOM 533 NZ LYS A 33 0.056 15.541 17.764 1.00 3.44 N ATOM 0 H LYS A 33 -1.121 10.723 13.235 1.00 42.12 H new ATOM 0 HA LYS A 33 -3.303 12.746 13.165 1.00 30.03 H new ATOM 0 HB2 LYS A 33 -0.302 12.897 13.543 1.00 20.23 H new ATOM 0 HB3 LYS A 33 -1.209 14.274 12.948 1.00 20.23 H new ATOM 0 HG2 LYS A 33 -2.554 14.401 14.945 1.00 61.45 H new ATOM 0 HG3 LYS A 33 -2.112 12.782 15.450 1.00 61.45 H new ATOM 0 HD2 LYS A 33 0.177 13.468 15.947 1.00 71.34 H new ATOM 0 HD3 LYS A 33 -0.053 15.023 15.172 1.00 71.34 H new ATOM 0 HE2 LYS A 33 -1.883 15.526 16.889 1.00 23.54 H new ATOM 0 HE3 LYS A 33 -1.451 14.040 17.711 1.00 23.54 H new ATOM 0 HZ1 LYS A 33 -0.286 15.938 18.662 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 0.827 14.869 17.954 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 0.408 16.309 17.157 1.00 3.44 H new ATOM 547 N MET A 34 -2.379 13.576 10.747 1.00 41.31 N ATOM 548 CA MET A 34 -2.318 13.656 9.296 1.00 33.10 C ATOM 549 C MET A 34 -0.939 13.220 8.786 1.00 63.21 C ATOM 550 O MET A 34 0.071 13.428 9.455 1.00 52.35 O ATOM 551 CB MET A 34 -2.629 15.090 8.875 1.00 34.15 C ATOM 552 CG MET A 34 -1.345 15.913 8.753 1.00 52.42 C ATOM 553 SD MET A 34 -1.761 17.674 8.751 1.00 55.42 S ATOM 554 CE MET A 34 -3.122 17.576 7.565 1.00 62.44 C ATOM 0 H MET A 34 -2.584 14.457 11.218 1.00 41.31 H new ATOM 0 HA MET A 34 -3.053 12.981 8.858 1.00 33.10 H new ATOM 0 HB2 MET A 34 -3.156 15.087 7.921 1.00 34.15 H new ATOM 0 HB3 MET A 34 -3.294 15.552 9.605 1.00 34.15 H new ATOM 0 HG2 MET A 34 -0.674 15.687 9.582 1.00 52.42 H new ATOM 0 HG3 MET A 34 -0.817 15.651 7.836 1.00 52.42 H new ATOM 0 HE1 MET A 34 -3.387 18.579 7.232 1.00 62.44 H new ATOM 0 HE2 MET A 34 -2.815 16.978 6.707 1.00 62.44 H new ATOM 0 HE3 MET A 34 -3.986 17.111 8.040 1.00 62.44 H new ATOM 564 N ALA A 35 -0.913 12.588 7.606 1.00 21.44 N ATOM 565 CA ALA A 35 0.340 12.095 7.029 1.00 44.20 C ATOM 566 C ALA A 35 0.719 12.870 5.769 1.00 64.15 C ATOM 567 O ALA A 35 -0.105 13.567 5.177 1.00 44.52 O ATOM 568 CB ALA A 35 0.198 10.601 6.705 1.00 54.02 C ATOM 0 H ALA A 35 -1.740 12.408 7.037 1.00 21.44 H new ATOM 0 HA ALA A 35 1.136 12.242 7.759 1.00 44.20 H new ATOM 0 HB1 ALA A 35 1.129 10.232 6.275 1.00 54.02 H new ATOM 0 HB2 ALA A 35 -0.024 10.050 7.619 1.00 54.02 H new ATOM 0 HB3 ALA A 35 -0.613 10.459 5.990 1.00 54.02 H new ATOM 574 N MET A 36 1.989 12.752 5.384 1.00 5.10 N ATOM 575 CA MET A 36 2.518 13.449 4.213 1.00 73.22 C ATOM 576 C MET A 36 3.293 12.482 3.311 1.00 60.32 C ATOM 577 O MET A 36 3.720 11.411 3.745 1.00 53.43 O ATOM 578 CB MET A 36 3.455 14.592 4.661 1.00 61.43 C ATOM 579 CG MET A 36 3.896 14.389 6.122 1.00 31.25 C ATOM 580 SD MET A 36 2.704 15.173 7.233 1.00 13.52 S ATOM 581 CE MET A 36 3.383 16.847 7.148 1.00 33.51 C ATOM 0 H MET A 36 2.675 12.175 5.871 1.00 5.10 H new ATOM 0 HA MET A 36 1.679 13.860 3.651 1.00 73.22 H new ATOM 0 HB2 MET A 36 4.330 14.627 4.013 1.00 61.43 H new ATOM 0 HB3 MET A 36 2.944 15.549 4.559 1.00 61.43 H new ATOM 0 HG2 MET A 36 3.970 13.325 6.345 1.00 31.25 H new ATOM 0 HG3 MET A 36 4.887 14.817 6.276 1.00 31.25 H new ATOM 0 HE1 MET A 36 2.856 17.490 7.853 1.00 33.51 H new ATOM 0 HE2 MET A 36 4.443 16.823 7.401 1.00 33.51 H new ATOM 0 HE3 MET A 36 3.260 17.239 6.138 1.00 33.51 H new ATOM 591 N ALA A 37 3.465 12.883 2.053 1.00 51.34 N ATOM 592 CA ALA A 37 4.188 12.066 1.079 1.00 13.33 C ATOM 593 C ALA A 37 4.727 12.928 -0.061 1.00 20.11 C ATOM 594 O ALA A 37 4.268 14.044 -0.269 1.00 53.12 O ATOM 595 CB ALA A 37 3.259 10.994 0.507 1.00 24.41 C ATOM 0 H ALA A 37 3.115 13.767 1.684 1.00 51.34 H new ATOM 0 HA ALA A 37 5.028 11.593 1.588 1.00 13.33 H new ATOM 0 HB1 ALA A 37 3.804 10.389 -0.218 1.00 24.41 H new ATOM 0 HB2 ALA A 37 2.899 10.356 1.314 1.00 24.41 H new ATOM 0 HB3 ALA A 37 2.411 11.472 0.016 1.00 24.41 H new ATOM 601 N ARG A 38 5.695 12.392 -0.808 1.00 10.24 N ATOM 602 CA ARG A 38 6.267 13.129 -1.945 1.00 73.45 C ATOM 603 C ARG A 38 6.497 12.176 -3.110 1.00 34.33 C ATOM 604 O ARG A 38 6.902 11.031 -2.912 1.00 62.01 O ATOM 605 CB ARG A 38 7.577 13.833 -1.561 1.00 70.14 C ATOM 606 CG ARG A 38 8.551 12.841 -0.926 1.00 11.32 C ATOM 607 CD ARG A 38 9.968 13.415 -0.966 1.00 44.30 C ATOM 608 NE ARG A 38 10.917 12.457 -0.411 1.00 70.55 N ATOM 609 CZ ARG A 38 12.220 12.720 -0.379 1.00 72.44 C ATOM 610 NH1 ARG A 38 12.670 13.851 -0.849 1.00 51.41 N ATOM 611 NH2 ARG A 38 13.050 11.847 0.124 1.00 42.02 N ATOM 0 H ARG A 38 6.096 11.467 -0.653 1.00 10.24 H new ATOM 0 HA ARG A 38 5.557 13.901 -2.243 1.00 73.45 H new ATOM 0 HB2 ARG A 38 8.029 14.280 -2.446 1.00 70.14 H new ATOM 0 HB3 ARG A 38 7.370 14.645 -0.864 1.00 70.14 H new ATOM 0 HG2 ARG A 38 8.259 12.638 0.104 1.00 11.32 H new ATOM 0 HG3 ARG A 38 8.518 11.891 -1.459 1.00 11.32 H new ATOM 0 HD2 ARG A 38 10.242 13.655 -1.993 1.00 44.30 H new ATOM 0 HD3 ARG A 38 10.007 14.346 -0.400 1.00 44.30 H new ATOM 0 HE ARG A 38 10.575 11.570 -0.041 1.00 70.55 H new ATOM 0 HH11 ARG A 38 12.022 14.534 -1.241 1.00 51.41 H new ATOM 0 HH12 ARG A 38 13.670 14.052 -0.824 1.00 51.41 H new ATOM 0 HH21 ARG A 38 12.699 10.963 0.492 1.00 42.02 H new ATOM 0 HH22 ARG A 38 14.050 12.049 0.148 1.00 42.02 H new ATOM 625 N ILE A 39 6.182 12.631 -4.320 1.00 25.42 N ATOM 626 CA ILE A 39 6.288 11.820 -5.526 1.00 20.44 C ATOM 627 C ILE A 39 7.208 12.489 -6.537 1.00 41.22 C ATOM 628 O ILE A 39 7.238 13.717 -6.634 1.00 34.24 O ATOM 629 CB ILE A 39 4.894 11.726 -6.088 1.00 51.52 C ATOM 630 CG1 ILE A 39 4.756 10.717 -7.224 1.00 72.33 C ATOM 631 CG2 ILE A 39 4.497 13.067 -6.602 1.00 52.40 C ATOM 632 CD1 ILE A 39 3.297 10.239 -7.240 1.00 61.20 C ATOM 0 H ILE A 39 5.844 13.578 -4.490 1.00 25.42 H new ATOM 0 HA ILE A 39 6.703 10.837 -5.305 1.00 20.44 H new ATOM 0 HB ILE A 39 4.250 11.385 -5.277 1.00 51.52 H new ATOM 0 HG12 ILE A 39 5.020 11.174 -8.177 1.00 72.33 H new ATOM 0 HG13 ILE A 39 5.434 9.876 -7.075 1.00 72.33 H new ATOM 0 HG21 ILE A 39 3.489 13.015 -7.013 1.00 52.40 H new ATOM 0 HG22 ILE A 39 4.520 13.791 -5.787 1.00 52.40 H new ATOM 0 HG23 ILE A 39 5.191 13.378 -7.383 1.00 52.40 H new ATOM 0 HD11 ILE A 39 3.160 9.514 -8.042 1.00 61.20 H new ATOM 0 HD12 ILE A 39 3.056 9.773 -6.285 1.00 61.20 H new ATOM 0 HD13 ILE A 39 2.637 11.091 -7.404 1.00 61.20 H new ATOM 644 N SER A 40 7.945 11.706 -7.296 1.00 55.20 N ATOM 645 CA SER A 40 8.825 12.283 -8.298 1.00 63.41 C ATOM 646 C SER A 40 8.999 11.315 -9.462 1.00 50.51 C ATOM 647 O SER A 40 8.718 10.124 -9.333 1.00 24.20 O ATOM 648 CB SER A 40 10.159 12.630 -7.670 1.00 72.31 C ATOM 649 OG SER A 40 9.936 13.366 -6.474 1.00 21.15 O ATOM 0 H SER A 40 7.956 10.687 -7.244 1.00 55.20 H new ATOM 0 HA SER A 40 8.381 13.200 -8.686 1.00 63.41 H new ATOM 0 HB2 SER A 40 10.719 11.721 -7.452 1.00 72.31 H new ATOM 0 HB3 SER A 40 10.760 13.216 -8.365 1.00 72.31 H new ATOM 0 HG SER A 40 10.797 13.591 -6.063 1.00 21.15 H new ATOM 655 N PHE A 41 9.416 11.838 -10.613 1.00 13.21 N ATOM 656 CA PHE A 41 9.562 11.006 -11.805 1.00 73.23 C ATOM 657 C PHE A 41 10.997 10.541 -12.047 1.00 22.01 C ATOM 658 O PHE A 41 11.745 11.170 -12.795 1.00 31.42 O ATOM 659 CB PHE A 41 9.080 11.788 -13.027 1.00 43.55 C ATOM 660 CG PHE A 41 7.615 12.117 -12.867 1.00 32.33 C ATOM 661 CD1 PHE A 41 7.226 13.225 -12.105 1.00 3.33 C ATOM 662 CD2 PHE A 41 6.645 11.316 -13.481 1.00 22.43 C ATOM 663 CE1 PHE A 41 5.868 13.530 -11.955 1.00 21.03 C ATOM 664 CE2 PHE A 41 5.287 11.621 -13.331 1.00 14.24 C ATOM 665 CZ PHE A 41 4.899 12.728 -12.567 1.00 11.12 C ATOM 0 H PHE A 41 9.656 12.821 -10.745 1.00 13.21 H new ATOM 0 HA PHE A 41 8.959 10.113 -11.642 1.00 73.23 H new ATOM 0 HB2 PHE A 41 9.660 12.704 -13.138 1.00 43.55 H new ATOM 0 HB3 PHE A 41 9.235 11.201 -13.932 1.00 43.55 H new ATOM 0 HD1 PHE A 41 7.974 13.845 -11.633 1.00 3.33 H new ATOM 0 HD2 PHE A 41 6.944 10.462 -14.071 1.00 22.43 H new ATOM 0 HE1 PHE A 41 5.568 14.385 -11.367 1.00 21.03 H new ATOM 0 HE2 PHE A 41 4.539 11.002 -13.805 1.00 14.24 H new ATOM 0 HZ PHE A 41 3.851 12.963 -12.450 1.00 11.12 H new ATOM 675 N LEU A 42 11.356 9.405 -11.454 1.00 72.14 N ATOM 676 CA LEU A 42 12.685 8.843 -11.673 1.00 3.31 C ATOM 677 C LEU A 42 12.845 8.610 -13.168 1.00 2.14 C ATOM 678 O LEU A 42 13.897 8.857 -13.756 1.00 13.22 O ATOM 679 CB LEU A 42 12.842 7.500 -10.950 1.00 63.03 C ATOM 680 CG LEU A 42 12.896 7.700 -9.429 1.00 43.54 C ATOM 681 CD1 LEU A 42 12.514 6.384 -8.731 1.00 20.50 C ATOM 682 CD2 LEU A 42 14.313 8.113 -9.004 1.00 1.35 C ATOM 0 H LEU A 42 10.758 8.864 -10.829 1.00 72.14 H new ATOM 0 HA LEU A 42 13.437 9.532 -11.287 1.00 3.31 H new ATOM 0 HB2 LEU A 42 12.009 6.845 -11.205 1.00 63.03 H new ATOM 0 HB3 LEU A 42 13.752 7.004 -11.288 1.00 63.03 H new ATOM 0 HG LEU A 42 12.196 8.485 -9.144 1.00 43.54 H new ATOM 0 HD11 LEU A 42 12.551 6.521 -7.650 1.00 20.50 H new ATOM 0 HD12 LEU A 42 11.505 6.095 -9.026 1.00 20.50 H new ATOM 0 HD13 LEU A 42 13.215 5.601 -9.021 1.00 20.50 H new ATOM 0 HD21 LEU A 42 14.343 8.253 -7.923 1.00 1.35 H new ATOM 0 HD22 LEU A 42 15.020 7.334 -9.288 1.00 1.35 H new ATOM 0 HD23 LEU A 42 14.584 9.046 -9.498 1.00 1.35 H new ATOM 694 N GLY A 43 11.755 8.138 -13.756 1.00 24.41 N ATOM 695 CA GLY A 43 11.683 7.854 -15.180 1.00 32.34 C ATOM 696 C GLY A 43 10.228 7.595 -15.564 1.00 5.31 C ATOM 697 O GLY A 43 9.397 7.323 -14.698 1.00 55.24 O ATOM 0 H GLY A 43 10.890 7.940 -13.253 1.00 24.41 H new ATOM 0 HA2 GLY A 43 12.079 8.693 -15.751 1.00 32.34 H new ATOM 0 HA3 GLY A 43 12.296 6.986 -15.422 1.00 32.34 H new ATOM 701 N GLU A 44 9.916 7.684 -16.850 1.00 61.02 N ATOM 702 CA GLU A 44 8.544 7.459 -17.295 1.00 43.32 C ATOM 703 C GLU A 44 8.009 6.151 -16.725 1.00 4.12 C ATOM 704 O GLU A 44 6.824 6.041 -16.411 1.00 13.41 O ATOM 705 CB GLU A 44 8.485 7.418 -18.824 1.00 42.22 C ATOM 706 CG GLU A 44 8.876 8.785 -19.393 1.00 2.53 C ATOM 707 CD GLU A 44 10.386 8.983 -19.298 1.00 3.44 C ATOM 708 OE1 GLU A 44 11.083 8.004 -19.091 1.00 22.15 O ATOM 709 OE2 GLU A 44 10.824 10.114 -19.436 1.00 73.24 O ATOM 0 H GLU A 44 10.579 7.906 -17.593 1.00 61.02 H new ATOM 0 HA GLU A 44 7.925 8.281 -16.935 1.00 43.32 H new ATOM 0 HB2 GLU A 44 9.159 6.650 -19.203 1.00 42.22 H new ATOM 0 HB3 GLU A 44 7.480 7.151 -19.152 1.00 42.22 H new ATOM 0 HG2 GLU A 44 8.557 8.859 -20.433 1.00 2.53 H new ATOM 0 HG3 GLU A 44 8.363 9.575 -18.845 1.00 2.53 H new ATOM 716 N ASP A 45 8.891 5.163 -16.583 1.00 41.50 N ATOM 717 CA ASP A 45 8.499 3.865 -16.037 1.00 21.20 C ATOM 718 C ASP A 45 9.070 3.688 -14.635 1.00 63.11 C ATOM 719 O ASP A 45 9.154 2.570 -14.127 1.00 64.22 O ATOM 720 CB ASP A 45 8.998 2.738 -16.948 1.00 33.33 C ATOM 721 CG ASP A 45 10.357 3.104 -17.534 1.00 41.45 C ATOM 722 OD1 ASP A 45 10.380 3.739 -18.576 1.00 71.02 O ATOM 723 OD2 ASP A 45 11.356 2.745 -16.932 1.00 62.25 O ATOM 0 H ASP A 45 9.876 5.236 -16.837 1.00 41.50 H new ATOM 0 HA ASP A 45 7.411 3.824 -15.983 1.00 21.20 H new ATOM 0 HB2 ASP A 45 9.075 1.809 -16.383 1.00 33.33 H new ATOM 0 HB3 ASP A 45 8.282 2.564 -17.751 1.00 33.33 H new ATOM 728 N GLU A 46 9.459 4.797 -14.015 1.00 61.05 N ATOM 729 CA GLU A 46 10.020 4.751 -12.669 1.00 11.53 C ATOM 730 C GLU A 46 9.644 6.003 -11.884 1.00 61.35 C ATOM 731 O GLU A 46 10.006 7.115 -12.260 1.00 31.14 O ATOM 732 CB GLU A 46 11.544 4.641 -12.746 1.00 1.23 C ATOM 733 CG GLU A 46 11.928 3.483 -13.669 1.00 54.41 C ATOM 734 CD GLU A 46 13.424 3.207 -13.567 1.00 4.10 C ATOM 735 OE1 GLU A 46 14.187 3.966 -14.143 1.00 24.22 O ATOM 736 OE2 GLU A 46 13.786 2.243 -12.914 1.00 35.14 O ATOM 0 H GLU A 46 9.397 5.732 -14.419 1.00 61.05 H new ATOM 0 HA GLU A 46 9.612 3.879 -12.157 1.00 11.53 H new ATOM 0 HB2 GLU A 46 11.968 5.573 -13.120 1.00 1.23 H new ATOM 0 HB3 GLU A 46 11.958 4.479 -11.751 1.00 1.23 H new ATOM 0 HG2 GLU A 46 11.366 2.589 -13.398 1.00 54.41 H new ATOM 0 HG3 GLU A 46 11.664 3.725 -14.698 1.00 54.41 H new ATOM 743 N LEU A 47 8.915 5.809 -10.786 1.00 71.31 N ATOM 744 CA LEU A 47 8.493 6.923 -9.938 1.00 10.13 C ATOM 745 C LEU A 47 8.858 6.642 -8.487 1.00 4.12 C ATOM 746 O LEU A 47 8.748 5.508 -8.023 1.00 72.11 O ATOM 747 CB LEU A 47 6.977 7.123 -10.019 1.00 22.32 C ATOM 748 CG LEU A 47 6.495 7.050 -11.469 1.00 12.11 C ATOM 749 CD1 LEU A 47 4.971 6.996 -11.469 1.00 62.32 C ATOM 750 CD2 LEU A 47 6.954 8.288 -12.244 1.00 41.54 C ATOM 0 H LEU A 47 8.605 4.893 -10.463 1.00 71.31 H new ATOM 0 HA LEU A 47 9.001 7.821 -10.290 1.00 10.13 H new ATOM 0 HB2 LEU A 47 6.473 6.361 -9.425 1.00 22.32 H new ATOM 0 HB3 LEU A 47 6.710 8.089 -9.591 1.00 22.32 H new ATOM 0 HG LEU A 47 6.911 6.163 -11.946 1.00 12.11 H new ATOM 0 HD11 LEU A 47 4.609 6.944 -12.496 1.00 62.32 H new ATOM 0 HD12 LEU A 47 4.638 6.114 -10.921 1.00 62.32 H new ATOM 0 HD13 LEU A 47 4.575 7.892 -10.990 1.00 62.32 H new ATOM 0 HD21 LEU A 47 6.604 8.223 -13.274 1.00 41.54 H new ATOM 0 HD22 LEU A 47 6.543 9.183 -11.777 1.00 41.54 H new ATOM 0 HD23 LEU A 47 8.043 8.341 -12.233 1.00 41.54 H new ATOM 762 N LYS A 48 9.281 7.677 -7.771 1.00 22.02 N ATOM 763 CA LYS A 48 9.646 7.524 -6.365 1.00 31.55 C ATOM 764 C LYS A 48 8.565 8.126 -5.477 1.00 12.40 C ATOM 765 O LYS A 48 8.308 9.325 -5.543 1.00 65.42 O ATOM 766 CB LYS A 48 10.979 8.235 -6.100 1.00 74.40 C ATOM 767 CG LYS A 48 11.614 7.706 -4.810 1.00 43.45 C ATOM 768 CD LYS A 48 13.054 8.220 -4.704 1.00 31.23 C ATOM 769 CE LYS A 48 13.056 9.748 -4.578 1.00 60.11 C ATOM 770 NZ LYS A 48 12.959 10.358 -5.934 1.00 23.24 N ATOM 0 H LYS A 48 9.380 8.624 -8.136 1.00 22.02 H new ATOM 0 HA LYS A 48 9.746 6.463 -6.137 1.00 31.55 H new ATOM 0 HB2 LYS A 48 11.657 8.077 -6.939 1.00 74.40 H new ATOM 0 HB3 LYS A 48 10.816 9.310 -6.020 1.00 74.40 H new ATOM 0 HG2 LYS A 48 11.035 8.032 -3.946 1.00 43.45 H new ATOM 0 HG3 LYS A 48 11.604 6.616 -4.807 1.00 43.45 H new ATOM 0 HD2 LYS A 48 13.545 7.775 -3.839 1.00 31.23 H new ATOM 0 HD3 LYS A 48 13.622 7.918 -5.584 1.00 31.23 H new ATOM 0 HE2 LYS A 48 12.219 10.074 -3.960 1.00 60.11 H new ATOM 0 HE3 LYS A 48 13.967 10.082 -4.082 1.00 60.11 H new ATOM 0 HZ1 LYS A 48 13.690 11.090 -6.038 1.00 23.24 H new ATOM 0 HZ2 LYS A 48 13.099 9.623 -6.656 1.00 23.24 H new ATOM 0 HZ3 LYS A 48 12.020 10.787 -6.055 1.00 23.24 H new ATOM 784 N VAL A 49 7.949 7.297 -4.628 1.00 14.01 N ATOM 785 CA VAL A 49 6.911 7.783 -3.714 1.00 20.43 C ATOM 786 C VAL A 49 7.318 7.496 -2.283 1.00 3.24 C ATOM 787 O VAL A 49 7.884 6.451 -1.965 1.00 52.54 O ATOM 788 CB VAL A 49 5.531 7.176 -4.067 1.00 44.02 C ATOM 789 CG1 VAL A 49 4.688 6.879 -2.826 1.00 75.03 C ATOM 790 CG2 VAL A 49 4.750 8.176 -4.907 1.00 0.14 C ATOM 0 H VAL A 49 8.148 6.299 -4.555 1.00 14.01 H new ATOM 0 HA VAL A 49 6.810 8.863 -3.824 1.00 20.43 H new ATOM 0 HB VAL A 49 5.720 6.243 -4.599 1.00 44.02 H new ATOM 0 HG11 VAL A 49 3.731 6.455 -3.129 1.00 75.03 H new ATOM 0 HG12 VAL A 49 5.215 6.168 -2.190 1.00 75.03 H new ATOM 0 HG13 VAL A 49 4.517 7.803 -2.273 1.00 75.03 H new ATOM 0 HG21 VAL A 49 3.776 7.757 -5.160 1.00 0.14 H new ATOM 0 HG22 VAL A 49 4.612 9.097 -4.341 1.00 0.14 H new ATOM 0 HG23 VAL A 49 5.301 8.391 -5.822 1.00 0.14 H new ATOM 800 N SER A 50 7.068 8.483 -1.446 1.00 72.14 N ATOM 801 CA SER A 50 7.447 8.421 -0.047 1.00 75.02 C ATOM 802 C SER A 50 6.257 8.605 0.874 1.00 4.34 C ATOM 803 O SER A 50 5.316 9.335 0.549 1.00 74.01 O ATOM 804 CB SER A 50 8.426 9.545 0.197 1.00 34.44 C ATOM 805 OG SER A 50 9.058 9.371 1.459 1.00 73.43 O ATOM 0 H SER A 50 6.598 9.348 -1.714 1.00 72.14 H new ATOM 0 HA SER A 50 7.876 7.441 0.164 1.00 75.02 H new ATOM 0 HB2 SER A 50 9.175 9.565 -0.595 1.00 34.44 H new ATOM 0 HB3 SER A 50 7.907 10.503 0.169 1.00 34.44 H new ATOM 0 HG SER A 50 8.878 8.467 1.793 1.00 73.43 H new ATOM 811 N TYR A 51 6.326 7.968 2.043 1.00 10.20 N ATOM 812 CA TYR A 51 5.265 8.086 3.037 1.00 41.44 C ATOM 813 C TYR A 51 5.822 8.618 4.349 1.00 60.13 C ATOM 814 O TYR A 51 6.820 8.113 4.863 1.00 44.53 O ATOM 815 CB TYR A 51 4.625 6.720 3.322 1.00 53.10 C ATOM 816 CG TYR A 51 4.436 5.938 2.047 1.00 1.24 C ATOM 817 CD1 TYR A 51 3.758 6.510 0.972 1.00 1.03 C ATOM 818 CD2 TYR A 51 4.919 4.627 1.953 1.00 14.40 C ATOM 819 CE1 TYR A 51 3.563 5.775 -0.199 1.00 5.12 C ATOM 820 CE2 TYR A 51 4.728 3.893 0.779 1.00 23.14 C ATOM 821 CZ TYR A 51 4.049 4.468 -0.299 1.00 5.10 C ATOM 822 OH TYR A 51 3.853 3.746 -1.458 1.00 41.31 O ATOM 0 H TYR A 51 7.102 7.368 2.322 1.00 10.20 H new ATOM 0 HA TYR A 51 4.519 8.771 2.633 1.00 41.44 H new ATOM 0 HB2 TYR A 51 5.255 6.155 4.010 1.00 53.10 H new ATOM 0 HB3 TYR A 51 3.662 6.860 3.813 1.00 53.10 H new ATOM 0 HD1 TYR A 51 3.384 7.521 1.045 1.00 1.03 H new ATOM 0 HD2 TYR A 51 5.440 4.183 2.788 1.00 14.40 H new ATOM 0 HE1 TYR A 51 3.035 6.218 -1.031 1.00 5.12 H new ATOM 0 HE2 TYR A 51 5.104 2.883 0.705 1.00 23.14 H new ATOM 0 HH TYR A 51 4.546 3.980 -2.110 1.00 41.31 H new ATOM 832 N ALA A 52 5.142 9.608 4.909 1.00 1.20 N ATOM 833 CA ALA A 52 5.535 10.177 6.190 1.00 61.54 C ATOM 834 C ALA A 52 4.331 10.098 7.117 1.00 33.01 C ATOM 835 O ALA A 52 3.344 10.808 6.923 1.00 4.12 O ATOM 836 CB ALA A 52 5.995 11.627 6.010 1.00 64.52 C ATOM 0 H ALA A 52 4.313 10.035 4.495 1.00 1.20 H new ATOM 0 HA ALA A 52 6.371 9.623 6.617 1.00 61.54 H new ATOM 0 HB1 ALA A 52 6.286 12.039 6.976 1.00 64.52 H new ATOM 0 HB2 ALA A 52 6.848 11.657 5.332 1.00 64.52 H new ATOM 0 HB3 ALA A 52 5.179 12.218 5.594 1.00 64.52 H new ATOM 842 N VAL A 53 4.396 9.196 8.097 1.00 1.11 N ATOM 843 CA VAL A 53 3.277 8.993 9.017 1.00 2.13 C ATOM 844 C VAL A 53 3.654 9.350 10.459 1.00 53.41 C ATOM 845 O VAL A 53 4.663 8.866 10.976 1.00 65.45 O ATOM 846 CB VAL A 53 2.848 7.522 8.963 1.00 3.43 C ATOM 847 CG1 VAL A 53 1.421 7.381 9.501 1.00 41.12 C ATOM 848 CG2 VAL A 53 2.897 7.029 7.515 1.00 53.35 C ATOM 0 H VAL A 53 5.204 8.599 8.273 1.00 1.11 H new ATOM 0 HA VAL A 53 2.462 9.648 8.709 1.00 2.13 H new ATOM 0 HB VAL A 53 3.525 6.926 9.575 1.00 3.43 H new ATOM 0 HG11 VAL A 53 1.119 6.334 9.461 1.00 41.12 H new ATOM 0 HG12 VAL A 53 1.385 7.730 10.533 1.00 41.12 H new ATOM 0 HG13 VAL A 53 0.742 7.978 8.892 1.00 41.12 H new ATOM 0 HG21 VAL A 53 2.592 5.983 7.476 1.00 53.35 H new ATOM 0 HG22 VAL A 53 2.221 7.627 6.904 1.00 53.35 H new ATOM 0 HG23 VAL A 53 3.913 7.125 7.132 1.00 53.35 H new ATOM 858 N PRO A 54 2.860 10.159 11.128 1.00 24.31 N ATOM 859 CA PRO A 54 3.121 10.542 12.542 1.00 4.44 C ATOM 860 C PRO A 54 2.659 9.455 13.505 1.00 44.22 C ATOM 861 O PRO A 54 1.613 8.837 13.299 1.00 43.31 O ATOM 862 CB PRO A 54 2.287 11.809 12.718 1.00 70.12 C ATOM 863 CG PRO A 54 1.111 11.597 11.826 1.00 63.40 C ATOM 864 CD PRO A 54 1.629 10.805 10.623 1.00 21.22 C ATOM 0 HA PRO A 54 4.181 10.688 12.752 1.00 4.44 H new ATOM 0 HB2 PRO A 54 1.981 11.944 13.755 1.00 70.12 H new ATOM 0 HB3 PRO A 54 2.848 12.699 12.433 1.00 70.12 H new ATOM 0 HG2 PRO A 54 0.323 11.049 12.343 1.00 63.40 H new ATOM 0 HG3 PRO A 54 0.684 12.549 11.511 1.00 63.40 H new ATOM 0 HD2 PRO A 54 0.900 10.068 10.286 1.00 21.22 H new ATOM 0 HD3 PRO A 54 1.839 11.457 9.775 1.00 21.22 H new ATOM 872 N LYS A 55 3.433 9.225 14.554 1.00 32.12 N ATOM 873 CA LYS A 55 3.083 8.215 15.537 1.00 22.13 C ATOM 874 C LYS A 55 3.700 8.572 16.882 1.00 34.53 C ATOM 875 O LYS A 55 4.727 8.020 17.258 1.00 63.23 O ATOM 876 CB LYS A 55 3.596 6.847 15.084 1.00 52.02 C ATOM 877 CG LYS A 55 2.963 5.753 15.944 1.00 33.05 C ATOM 878 CD LYS A 55 3.656 4.417 15.665 1.00 65.33 C ATOM 879 CE LYS A 55 2.815 3.276 16.238 1.00 43.42 C ATOM 880 NZ LYS A 55 3.583 2.002 16.151 1.00 50.10 N ATOM 0 H LYS A 55 4.303 9.722 14.745 1.00 32.12 H new ATOM 0 HA LYS A 55 1.998 8.176 15.636 1.00 22.13 H new ATOM 0 HB2 LYS A 55 3.352 6.685 14.034 1.00 52.02 H new ATOM 0 HB3 LYS A 55 4.682 6.808 15.169 1.00 52.02 H new ATOM 0 HG2 LYS A 55 3.054 6.008 17.000 1.00 33.05 H new ATOM 0 HG3 LYS A 55 1.898 5.675 15.725 1.00 33.05 H new ATOM 0 HD2 LYS A 55 3.789 4.281 14.592 1.00 65.33 H new ATOM 0 HD3 LYS A 55 4.650 4.410 16.112 1.00 65.33 H new ATOM 0 HE2 LYS A 55 2.555 3.487 17.275 1.00 43.42 H new ATOM 0 HE3 LYS A 55 1.879 3.187 15.687 1.00 43.42 H new ATOM 0 HZ1 LYS A 55 3.012 1.225 16.541 1.00 50.10 H new ATOM 0 HZ2 LYS A 55 3.809 1.800 15.156 1.00 50.10 H new ATOM 0 HZ3 LYS A 55 4.465 2.090 16.696 1.00 50.10 H new ATOM 894 N PRO A 56 3.107 9.491 17.601 1.00 52.11 N ATOM 895 CA PRO A 56 3.622 9.930 18.928 1.00 72.53 C ATOM 896 C PRO A 56 4.209 8.778 19.748 1.00 42.15 C ATOM 897 O PRO A 56 4.985 9.001 20.677 1.00 61.53 O ATOM 898 CB PRO A 56 2.379 10.515 19.598 1.00 62.43 C ATOM 899 CG PRO A 56 1.563 11.074 18.473 1.00 42.35 C ATOM 900 CD PRO A 56 1.879 10.225 17.232 1.00 12.24 C ATOM 0 HA PRO A 56 4.447 10.637 18.840 1.00 72.53 H new ATOM 0 HB2 PRO A 56 1.827 9.750 20.144 1.00 62.43 H new ATOM 0 HB3 PRO A 56 2.645 11.290 20.317 1.00 62.43 H new ATOM 0 HG2 PRO A 56 0.500 11.033 18.709 1.00 42.35 H new ATOM 0 HG3 PRO A 56 1.811 12.121 18.299 1.00 42.35 H new ATOM 0 HD2 PRO A 56 1.062 9.543 16.997 1.00 12.24 H new ATOM 0 HD3 PRO A 56 2.036 10.849 16.352 1.00 12.24 H new ATOM 908 N ASN A 57 3.836 7.548 19.397 1.00 21.20 N ATOM 909 CA ASN A 57 4.334 6.369 20.109 1.00 5.00 C ATOM 910 C ASN A 57 5.495 5.724 19.352 1.00 71.00 C ATOM 911 O ASN A 57 5.863 4.581 19.624 1.00 41.55 O ATOM 912 CB ASN A 57 3.206 5.349 20.272 1.00 61.55 C ATOM 913 CG ASN A 57 2.089 5.939 21.127 1.00 51.04 C ATOM 914 OD1 ASN A 57 2.304 6.919 21.840 1.00 74.33 O ATOM 915 ND2 ASN A 57 0.902 5.397 21.096 1.00 63.44 N ATOM 0 H ASN A 57 3.196 7.341 18.630 1.00 21.20 H new ATOM 0 HA ASN A 57 4.690 6.687 21.089 1.00 5.00 H new ATOM 0 HB2 ASN A 57 2.816 5.066 19.294 1.00 61.55 H new ATOM 0 HB3 ASN A 57 3.590 4.441 20.737 1.00 61.55 H new ATOM 0 HD21 ASN A 57 0.149 5.786 21.664 1.00 63.44 H new ATOM 0 HD22 ASN A 57 0.727 4.585 20.504 1.00 63.44 H new ATOM 922 N GLY A 58 6.066 6.460 18.401 1.00 21.40 N ATOM 923 CA GLY A 58 7.183 5.948 17.606 1.00 65.22 C ATOM 924 C GLY A 58 7.041 6.370 16.147 1.00 22.03 C ATOM 925 O GLY A 58 6.629 5.579 15.301 1.00 54.50 O ATOM 0 H GLY A 58 5.776 7.408 18.162 1.00 21.40 H new ATOM 0 HA2 GLY A 58 8.124 6.322 18.008 1.00 65.22 H new ATOM 0 HA3 GLY A 58 7.217 4.861 17.674 1.00 65.22 H new ATOM 929 N CYS A 59 7.379 7.625 15.866 1.00 54.34 N ATOM 930 CA CYS A 59 7.277 8.154 14.509 1.00 51.21 C ATOM 931 C CYS A 59 7.923 7.206 13.503 1.00 31.45 C ATOM 932 O CYS A 59 8.946 6.583 13.789 1.00 44.11 O ATOM 933 CB CYS A 59 7.961 9.520 14.437 1.00 1.22 C ATOM 934 SG CYS A 59 7.644 10.268 12.821 1.00 70.24 S ATOM 0 H CYS A 59 7.724 8.292 16.556 1.00 54.34 H new ATOM 0 HA CYS A 59 6.221 8.256 14.259 1.00 51.21 H new ATOM 0 HB2 CYS A 59 7.587 10.168 15.229 1.00 1.22 H new ATOM 0 HB3 CYS A 59 9.034 9.410 14.595 1.00 1.22 H new ATOM 939 N ARG A 60 7.315 7.101 12.320 1.00 40.34 N ATOM 940 CA ARG A 60 7.832 6.225 11.268 1.00 42.44 C ATOM 941 C ARG A 60 7.889 6.963 9.933 1.00 63.14 C ATOM 942 O ARG A 60 6.863 7.381 9.398 1.00 64.13 O ATOM 943 CB ARG A 60 6.937 4.990 11.131 1.00 33.31 C ATOM 944 CG ARG A 60 7.196 4.035 12.298 1.00 55.20 C ATOM 945 CD ARG A 60 6.184 2.889 12.257 1.00 43.01 C ATOM 946 NE ARG A 60 6.621 1.797 13.119 1.00 23.22 N ATOM 947 CZ ARG A 60 6.643 1.932 14.441 1.00 44.41 C ATOM 948 NH1 ARG A 60 6.269 3.054 14.990 1.00 33.41 N ATOM 949 NH2 ARG A 60 7.041 0.940 15.191 1.00 34.22 N ATOM 0 H ARG A 60 6.468 7.609 12.067 1.00 40.34 H new ATOM 0 HA ARG A 60 8.841 5.916 11.543 1.00 42.44 H new ATOM 0 HB2 ARG A 60 5.889 5.288 11.118 1.00 33.31 H new ATOM 0 HB3 ARG A 60 7.137 4.487 10.185 1.00 33.31 H new ATOM 0 HG2 ARG A 60 8.210 3.640 12.240 1.00 55.20 H new ATOM 0 HG3 ARG A 60 7.116 4.571 13.244 1.00 55.20 H new ATOM 0 HD2 ARG A 60 5.206 3.247 12.579 1.00 43.01 H new ATOM 0 HD3 ARG A 60 6.071 2.531 11.234 1.00 43.01 H new ATOM 0 HE ARG A 60 6.915 0.915 12.700 1.00 23.22 H new ATOM 0 HH11 ARG A 60 5.959 3.830 14.405 1.00 33.41 H new ATOM 0 HH12 ARG A 60 6.286 3.156 16.005 1.00 33.41 H new ATOM 0 HH21 ARG A 60 7.335 0.062 14.762 1.00 34.22 H new ATOM 0 HH22 ARG A 60 7.058 1.043 16.206 1.00 34.22 H new ATOM 963 N LYS A 61 9.100 7.110 9.398 1.00 74.25 N ATOM 964 CA LYS A 61 9.294 7.791 8.117 1.00 1.21 C ATOM 965 C LYS A 61 10.228 6.983 7.221 1.00 72.44 C ATOM 966 O LYS A 61 11.288 6.539 7.660 1.00 43.24 O ATOM 967 CB LYS A 61 9.884 9.184 8.351 1.00 73.32 C ATOM 968 CG LYS A 61 11.233 9.059 9.060 1.00 34.44 C ATOM 969 CD LYS A 61 11.682 10.437 9.553 1.00 35.33 C ATOM 970 CE LYS A 61 13.119 10.352 10.070 1.00 45.45 C ATOM 971 NZ LYS A 61 14.055 10.219 8.919 1.00 23.33 N ATOM 0 H LYS A 61 9.959 6.768 9.829 1.00 74.25 H new ATOM 0 HA LYS A 61 8.327 7.886 7.624 1.00 1.21 H new ATOM 0 HB2 LYS A 61 10.009 9.701 7.400 1.00 73.32 H new ATOM 0 HB3 LYS A 61 9.200 9.783 8.952 1.00 73.32 H new ATOM 0 HG2 LYS A 61 11.151 8.370 9.900 1.00 34.44 H new ATOM 0 HG3 LYS A 61 11.977 8.645 8.379 1.00 34.44 H new ATOM 0 HD2 LYS A 61 11.618 11.163 8.743 1.00 35.33 H new ATOM 0 HD3 LYS A 61 11.019 10.785 10.345 1.00 35.33 H new ATOM 0 HE2 LYS A 61 13.362 11.243 10.648 1.00 45.45 H new ATOM 0 HE3 LYS A 61 13.226 9.499 10.740 1.00 45.45 H new ATOM 0 HZ1 LYS A 61 15.018 10.464 9.225 1.00 23.33 H new ATOM 0 HZ2 LYS A 61 14.041 9.239 8.572 1.00 23.33 H new ATOM 0 HZ3 LYS A 61 13.760 10.861 8.156 1.00 23.33 H new ATOM 985 N TRP A 62 9.833 6.795 5.964 1.00 45.33 N ATOM 986 CA TRP A 62 10.659 6.039 5.028 1.00 74.52 C ATOM 987 C TRP A 62 10.295 6.379 3.583 1.00 14.12 C ATOM 988 O TRP A 62 9.378 7.160 3.323 1.00 0.00 O ATOM 989 CB TRP A 62 10.522 4.526 5.313 1.00 72.22 C ATOM 990 CG TRP A 62 9.633 3.853 4.313 1.00 40.11 C ATOM 991 CD1 TRP A 62 8.371 4.230 4.009 1.00 73.32 C ATOM 992 CD2 TRP A 62 9.923 2.686 3.489 1.00 70.44 C ATOM 993 NE1 TRP A 62 7.867 3.367 3.052 1.00 14.14 N ATOM 994 CE2 TRP A 62 8.786 2.400 2.699 1.00 2.15 C ATOM 995 CE3 TRP A 62 11.051 1.858 3.354 1.00 11.01 C ATOM 996 CZ2 TRP A 62 8.769 1.328 1.805 1.00 14.44 C ATOM 997 CZ3 TRP A 62 11.038 0.779 2.455 1.00 24.14 C ATOM 998 CH2 TRP A 62 9.899 0.515 1.683 1.00 70.52 C ATOM 0 H TRP A 62 8.960 7.150 5.575 1.00 45.33 H new ATOM 0 HA TRP A 62 11.703 6.318 5.168 1.00 74.52 H new ATOM 0 HB2 TRP A 62 11.508 4.061 5.295 1.00 72.22 H new ATOM 0 HB3 TRP A 62 10.119 4.379 6.315 1.00 72.22 H new ATOM 0 HD1 TRP A 62 7.843 5.067 4.442 1.00 73.32 H new ATOM 0 HE1 TRP A 62 6.930 3.437 2.656 1.00 14.14 H new ATOM 0 HE3 TRP A 62 11.933 2.053 3.945 1.00 11.01 H new ATOM 0 HZ2 TRP A 62 7.889 1.128 1.212 1.00 14.44 H new ATOM 0 HZ3 TRP A 62 11.910 0.150 2.358 1.00 24.14 H new ATOM 0 HH2 TRP A 62 9.894 -0.317 0.994 1.00 70.52 H new ATOM 1009 N GLU A 63 11.036 5.786 2.652 1.00 12.11 N ATOM 1010 CA GLU A 63 10.814 6.024 1.224 1.00 40.41 C ATOM 1011 C GLU A 63 10.456 4.728 0.502 1.00 43.12 C ATOM 1012 O GLU A 63 10.673 3.633 1.022 1.00 43.41 O ATOM 1013 CB GLU A 63 12.078 6.626 0.604 1.00 23.13 C ATOM 1014 CG GLU A 63 11.794 7.062 -0.835 1.00 20.21 C ATOM 1015 CD GLU A 63 12.901 7.990 -1.323 1.00 53.42 C ATOM 1016 OE1 GLU A 63 14.058 7.663 -1.110 1.00 2.33 O ATOM 1017 OE2 GLU A 63 12.577 9.014 -1.901 1.00 63.30 O ATOM 0 H GLU A 63 11.796 5.137 2.857 1.00 12.11 H new ATOM 0 HA GLU A 63 9.981 6.718 1.115 1.00 40.41 H new ATOM 0 HB2 GLU A 63 12.411 7.480 1.193 1.00 23.13 H new ATOM 0 HB3 GLU A 63 12.885 5.894 0.619 1.00 23.13 H new ATOM 0 HG2 GLU A 63 11.728 6.188 -1.483 1.00 20.21 H new ATOM 0 HG3 GLU A 63 10.831 7.571 -0.887 1.00 20.21 H new ATOM 1024 N THR A 64 9.901 4.866 -0.700 1.00 42.12 N ATOM 1025 CA THR A 64 9.505 3.706 -1.494 1.00 71.14 C ATOM 1026 C THR A 64 9.556 4.037 -2.985 1.00 41.23 C ATOM 1027 O THR A 64 9.237 5.153 -3.393 1.00 12.21 O ATOM 1028 CB THR A 64 8.086 3.279 -1.112 1.00 35.44 C ATOM 1029 OG1 THR A 64 7.954 3.299 0.302 1.00 34.22 O ATOM 1030 CG2 THR A 64 7.811 1.866 -1.633 1.00 54.24 C ATOM 0 H THR A 64 9.716 5.766 -1.144 1.00 42.12 H new ATOM 0 HA THR A 64 10.199 2.890 -1.291 1.00 71.14 H new ATOM 0 HB THR A 64 7.369 3.969 -1.556 1.00 35.44 H new ATOM 0 HG1 THR A 64 8.600 2.679 0.700 1.00 34.22 H new ATOM 0 HG21 THR A 64 6.799 1.567 -1.358 1.00 54.24 H new ATOM 0 HG22 THR A 64 7.911 1.853 -2.718 1.00 54.24 H new ATOM 0 HG23 THR A 64 8.527 1.171 -1.194 1.00 54.24 H new ATOM 1038 N THR A 65 9.964 3.061 -3.795 1.00 41.52 N ATOM 1039 CA THR A 65 10.057 3.260 -5.243 1.00 24.34 C ATOM 1040 C THR A 65 8.896 2.579 -5.963 1.00 43.03 C ATOM 1041 O THR A 65 8.609 1.407 -5.723 1.00 10.41 O ATOM 1042 CB THR A 65 11.380 2.691 -5.761 1.00 43.01 C ATOM 1043 OG1 THR A 65 12.461 3.333 -5.098 1.00 31.24 O ATOM 1044 CG2 THR A 65 11.488 2.931 -7.267 1.00 44.02 C ATOM 0 H THR A 65 10.234 2.130 -3.477 1.00 41.52 H new ATOM 0 HA THR A 65 10.012 4.330 -5.443 1.00 24.34 H new ATOM 0 HB THR A 65 11.416 1.620 -5.564 1.00 43.01 H new ATOM 0 HG1 THR A 65 13.309 2.969 -5.427 1.00 31.24 H new ATOM 0 HG21 THR A 65 12.431 2.525 -7.633 1.00 44.02 H new ATOM 0 HG22 THR A 65 10.659 2.438 -7.774 1.00 44.02 H new ATOM 0 HG23 THR A 65 11.451 4.002 -7.468 1.00 44.02 H new ATOM 1052 N PHE A 66 8.230 3.322 -6.852 1.00 12.55 N ATOM 1053 CA PHE A 66 7.098 2.787 -7.609 1.00 53.42 C ATOM 1054 C PHE A 66 7.396 2.847 -9.105 1.00 14.12 C ATOM 1055 O PHE A 66 7.883 3.858 -9.606 1.00 11.14 O ATOM 1056 CB PHE A 66 5.841 3.617 -7.306 1.00 20.52 C ATOM 1057 CG PHE A 66 5.173 3.106 -6.050 1.00 41.12 C ATOM 1058 CD1 PHE A 66 5.800 3.268 -4.810 1.00 62.12 C ATOM 1059 CD2 PHE A 66 3.927 2.472 -6.128 1.00 51.21 C ATOM 1060 CE1 PHE A 66 5.181 2.795 -3.648 1.00 10.11 C ATOM 1061 CE2 PHE A 66 3.309 2.001 -4.966 1.00 13.11 C ATOM 1062 CZ PHE A 66 3.936 2.163 -3.726 1.00 21.23 C ATOM 0 H PHE A 66 8.456 4.294 -7.064 1.00 12.55 H new ATOM 0 HA PHE A 66 6.933 1.750 -7.318 1.00 53.42 H new ATOM 0 HB2 PHE A 66 6.109 4.666 -7.184 1.00 20.52 H new ATOM 0 HB3 PHE A 66 5.147 3.561 -8.145 1.00 20.52 H new ATOM 0 HD1 PHE A 66 6.761 3.758 -4.750 1.00 62.12 H new ATOM 0 HD2 PHE A 66 3.444 2.347 -7.086 1.00 51.21 H new ATOM 0 HE1 PHE A 66 5.665 2.918 -2.690 1.00 10.11 H new ATOM 0 HE2 PHE A 66 2.348 1.512 -5.026 1.00 13.11 H new ATOM 0 HZ PHE A 66 3.458 1.800 -2.828 1.00 21.23 H new ATOM 1072 N LYS A 67 7.097 1.758 -9.814 1.00 4.55 N ATOM 1073 CA LYS A 67 7.335 1.698 -11.259 1.00 22.14 C ATOM 1074 C LYS A 67 6.022 1.516 -12.011 1.00 51.00 C ATOM 1075 O LYS A 67 5.103 0.863 -11.521 1.00 74.14 O ATOM 1076 CB LYS A 67 8.264 0.530 -11.595 1.00 64.21 C ATOM 1077 CG LYS A 67 9.661 0.781 -11.013 1.00 74.21 C ATOM 1078 CD LYS A 67 10.686 -0.038 -11.797 1.00 73.23 C ATOM 1079 CE LYS A 67 12.011 -0.069 -11.032 1.00 12.53 C ATOM 1080 NZ LYS A 67 12.522 1.321 -10.866 1.00 31.10 N ATOM 0 H LYS A 67 6.692 0.910 -9.416 1.00 4.55 H new ATOM 0 HA LYS A 67 7.799 2.636 -11.563 1.00 22.14 H new ATOM 0 HB2 LYS A 67 7.855 -0.397 -11.192 1.00 64.21 H new ATOM 0 HB3 LYS A 67 8.329 0.407 -12.676 1.00 64.21 H new ATOM 0 HG2 LYS A 67 9.906 1.842 -11.068 1.00 74.21 H new ATOM 0 HG3 LYS A 67 9.685 0.503 -9.959 1.00 74.21 H new ATOM 0 HD2 LYS A 67 10.317 -1.053 -11.948 1.00 73.23 H new ATOM 0 HD3 LYS A 67 10.835 0.397 -12.785 1.00 73.23 H new ATOM 0 HE2 LYS A 67 11.869 -0.535 -10.057 1.00 12.53 H new ATOM 0 HE3 LYS A 67 12.740 -0.674 -11.571 1.00 12.53 H new ATOM 0 HZ1 LYS A 67 13.431 1.299 -10.361 1.00 31.10 H new ATOM 0 HZ2 LYS A 67 12.656 1.756 -11.801 1.00 31.10 H new ATOM 0 HZ3 LYS A 67 11.836 1.880 -10.320 1.00 31.10 H new ATOM 1094 N LYS A 68 5.936 2.111 -13.195 1.00 42.54 N ATOM 1095 CA LYS A 68 4.719 2.016 -13.997 1.00 11.20 C ATOM 1096 C LYS A 68 4.562 0.621 -14.593 1.00 14.51 C ATOM 1097 O LYS A 68 5.492 0.079 -15.190 1.00 52.12 O ATOM 1098 CB LYS A 68 4.752 3.050 -15.125 1.00 72.34 C ATOM 1099 CG LYS A 68 3.339 3.251 -15.678 1.00 60.01 C ATOM 1100 CD LYS A 68 3.388 4.213 -16.868 1.00 21.14 C ATOM 1101 CE LYS A 68 1.967 4.487 -17.361 1.00 14.22 C ATOM 1102 NZ LYS A 68 1.176 5.121 -16.268 1.00 41.20 N ATOM 0 H LYS A 68 6.685 2.659 -13.619 1.00 42.54 H new ATOM 0 HA LYS A 68 3.869 2.213 -13.343 1.00 11.20 H new ATOM 0 HB2 LYS A 68 5.146 3.996 -14.754 1.00 72.34 H new ATOM 0 HB3 LYS A 68 5.420 2.716 -15.919 1.00 72.34 H new ATOM 0 HG2 LYS A 68 2.919 2.294 -15.987 1.00 60.01 H new ATOM 0 HG3 LYS A 68 2.686 3.650 -14.901 1.00 60.01 H new ATOM 0 HD2 LYS A 68 3.869 5.146 -16.575 1.00 21.14 H new ATOM 0 HD3 LYS A 68 3.987 3.784 -17.672 1.00 21.14 H new ATOM 0 HE2 LYS A 68 1.993 5.141 -18.233 1.00 14.22 H new ATOM 0 HE3 LYS A 68 1.494 3.557 -17.675 1.00 14.22 H new ATOM 0 HZ1 LYS A 68 0.649 5.933 -16.647 1.00 41.20 H new ATOM 0 HZ2 LYS A 68 0.508 4.427 -15.876 1.00 41.20 H new ATOM 0 HZ3 LYS A 68 1.819 5.445 -15.517 1.00 41.20 H new ATOM 1116 N THR A 69 3.371 0.049 -14.429 1.00 33.34 N ATOM 1117 CA THR A 69 3.078 -1.283 -14.956 1.00 0.52 C ATOM 1118 C THR A 69 1.781 -1.258 -15.755 1.00 24.32 C ATOM 1119 O THR A 69 1.074 -0.251 -15.774 1.00 12.35 O ATOM 1120 CB THR A 69 2.948 -2.284 -13.805 1.00 72.31 C ATOM 1121 OG1 THR A 69 2.559 -3.549 -14.323 1.00 33.32 O ATOM 1122 CG2 THR A 69 1.895 -1.789 -12.812 1.00 43.53 C ATOM 0 H THR A 69 2.593 0.487 -13.935 1.00 33.34 H new ATOM 0 HA THR A 69 3.896 -1.587 -15.609 1.00 0.52 H new ATOM 0 HB THR A 69 3.906 -2.379 -13.295 1.00 72.31 H new ATOM 0 HG1 THR A 69 2.477 -4.192 -13.588 1.00 33.32 H new ATOM 0 HG21 THR A 69 1.803 -2.502 -11.993 1.00 43.53 H new ATOM 0 HG22 THR A 69 2.196 -0.819 -12.416 1.00 43.53 H new ATOM 0 HG23 THR A 69 0.935 -1.692 -13.318 1.00 43.53 H new ATOM 1130 N SER A 70 1.469 -2.371 -16.413 1.00 73.34 N ATOM 1131 CA SER A 70 0.247 -2.462 -17.209 1.00 21.14 C ATOM 1132 C SER A 70 -0.859 -3.131 -16.410 1.00 62.34 C ATOM 1133 O SER A 70 -1.964 -3.336 -16.913 1.00 33.02 O ATOM 1134 CB SER A 70 0.512 -3.256 -18.489 1.00 1.13 C ATOM 1135 OG SER A 70 -0.563 -3.055 -19.397 1.00 23.12 O ATOM 0 H SER A 70 2.040 -3.216 -16.412 1.00 73.34 H new ATOM 0 HA SER A 70 -0.070 -1.453 -17.472 1.00 21.14 H new ATOM 0 HB2 SER A 70 1.450 -2.936 -18.942 1.00 1.13 H new ATOM 0 HB3 SER A 70 0.615 -4.316 -18.258 1.00 1.13 H new ATOM 0 HG SER A 70 -1.396 -2.933 -18.896 1.00 23.12 H new ATOM 1141 N ASP A 71 -0.532 -3.478 -15.170 1.00 22.24 N ATOM 1142 CA ASP A 71 -1.467 -4.149 -14.259 1.00 64.20 C ATOM 1143 C ASP A 71 -2.923 -3.981 -14.685 1.00 33.31 C ATOM 1144 O ASP A 71 -3.673 -4.954 -14.735 1.00 53.13 O ATOM 1145 CB ASP A 71 -1.290 -3.600 -12.842 1.00 73.54 C ATOM 1146 CG ASP A 71 -1.999 -4.505 -11.841 1.00 60.01 C ATOM 1147 OD1 ASP A 71 -2.493 -5.541 -12.255 1.00 12.33 O ATOM 1148 OD2 ASP A 71 -2.038 -4.149 -10.675 1.00 13.14 O ATOM 0 H ASP A 71 0.387 -3.304 -14.763 1.00 22.24 H new ATOM 0 HA ASP A 71 -1.236 -5.214 -14.289 1.00 64.20 H new ATOM 0 HB2 ASP A 71 -0.230 -3.534 -12.598 1.00 73.54 H new ATOM 0 HB3 ASP A 71 -1.694 -2.590 -12.781 1.00 73.54 H new ATOM 1153 N ASP A 72 -3.324 -2.751 -14.995 1.00 44.42 N ATOM 1154 CA ASP A 72 -4.697 -2.494 -15.415 1.00 32.43 C ATOM 1155 C ASP A 72 -4.855 -1.044 -15.844 1.00 74.41 C ATOM 1156 O ASP A 72 -5.241 -0.184 -15.051 1.00 20.14 O ATOM 1157 CB ASP A 72 -5.664 -2.806 -14.274 1.00 3.42 C ATOM 1158 CG ASP A 72 -7.079 -2.378 -14.652 1.00 4.12 C ATOM 1159 OD1 ASP A 72 -7.286 -2.037 -15.806 1.00 4.41 O ATOM 1160 OD2 ASP A 72 -7.935 -2.398 -13.784 1.00 4.42 O ATOM 0 H ASP A 72 -2.725 -1.926 -14.964 1.00 44.42 H new ATOM 0 HA ASP A 72 -4.927 -3.140 -16.262 1.00 32.43 H new ATOM 0 HB2 ASP A 72 -5.646 -3.873 -14.053 1.00 3.42 H new ATOM 0 HB3 ASP A 72 -5.349 -2.288 -13.368 1.00 3.42 H new ATOM 1165 N GLY A 73 -4.554 -0.784 -17.107 1.00 74.51 N ATOM 1166 CA GLY A 73 -4.662 0.563 -17.649 1.00 13.45 C ATOM 1167 C GLY A 73 -3.472 1.419 -17.228 1.00 4.30 C ATOM 1168 O GLY A 73 -2.371 1.273 -17.758 1.00 13.04 O ATOM 0 H GLY A 73 -4.234 -1.485 -17.775 1.00 74.51 H new ATOM 0 HA2 GLY A 73 -4.715 0.518 -18.737 1.00 13.45 H new ATOM 0 HA3 GLY A 73 -5.587 1.025 -17.303 1.00 13.45 H new ATOM 1172 N GLU A 74 -3.702 2.307 -16.263 1.00 34.54 N ATOM 1173 CA GLU A 74 -2.644 3.185 -15.755 1.00 24.41 C ATOM 1174 C GLU A 74 -2.464 2.991 -14.253 1.00 21.41 C ATOM 1175 O GLU A 74 -3.145 3.638 -13.457 1.00 30.23 O ATOM 1176 CB GLU A 74 -3.005 4.645 -16.032 1.00 14.11 C ATOM 1177 CG GLU A 74 -2.927 4.920 -17.536 1.00 32.41 C ATOM 1178 CD GLU A 74 -4.074 4.216 -18.255 1.00 32.24 C ATOM 1179 OE1 GLU A 74 -5.057 3.906 -17.600 1.00 13.01 O ATOM 1180 OE2 GLU A 74 -3.954 3.998 -19.449 1.00 33.22 O ATOM 0 H GLU A 74 -4.609 2.439 -15.816 1.00 34.54 H new ATOM 0 HA GLU A 74 -1.713 2.932 -16.262 1.00 24.41 H new ATOM 0 HB2 GLU A 74 -4.009 4.857 -15.665 1.00 14.11 H new ATOM 0 HB3 GLU A 74 -2.324 5.306 -15.496 1.00 14.11 H new ATOM 0 HG2 GLU A 74 -2.975 5.993 -17.721 1.00 32.41 H new ATOM 0 HG3 GLU A 74 -1.972 4.571 -17.929 1.00 32.41 H new ATOM 1187 N VAL A 75 -1.560 2.095 -13.860 1.00 54.24 N ATOM 1188 CA VAL A 75 -1.324 1.827 -12.440 1.00 74.13 C ATOM 1189 C VAL A 75 0.164 1.764 -12.132 1.00 54.35 C ATOM 1190 O VAL A 75 0.970 1.369 -12.975 1.00 22.34 O ATOM 1191 CB VAL A 75 -1.976 0.506 -12.026 1.00 62.25 C ATOM 1192 CG1 VAL A 75 -1.858 0.324 -10.495 1.00 64.10 C ATOM 1193 CG2 VAL A 75 -3.454 0.510 -12.458 1.00 23.10 C ATOM 0 H VAL A 75 -0.983 1.546 -14.497 1.00 54.24 H new ATOM 0 HA VAL A 75 -1.768 2.647 -11.876 1.00 74.13 H new ATOM 0 HB VAL A 75 -1.468 -0.326 -12.514 1.00 62.25 H new ATOM 0 HG11 VAL A 75 -2.323 -0.618 -10.204 1.00 64.10 H new ATOM 0 HG12 VAL A 75 -0.806 0.312 -10.210 1.00 64.10 H new ATOM 0 HG13 VAL A 75 -2.361 1.149 -9.991 1.00 64.10 H new ATOM 0 HG21 VAL A 75 -3.921 -0.430 -12.164 1.00 23.10 H new ATOM 0 HG22 VAL A 75 -3.972 1.339 -11.976 1.00 23.10 H new ATOM 0 HG23 VAL A 75 -3.516 0.624 -13.540 1.00 23.10 H new ATOM 1203 N TYR A 76 0.520 2.149 -10.909 1.00 20.31 N ATOM 1204 CA TYR A 76 1.918 2.128 -10.478 1.00 54.31 C ATOM 1205 C TYR A 76 2.100 1.062 -9.398 1.00 3.43 C ATOM 1206 O TYR A 76 1.159 0.743 -8.674 1.00 71.11 O ATOM 1207 CB TYR A 76 2.303 3.511 -9.957 1.00 25.33 C ATOM 1208 CG TYR A 76 1.918 4.529 -11.004 1.00 1.12 C ATOM 1209 CD1 TYR A 76 2.771 4.776 -12.086 1.00 73.11 C ATOM 1210 CD2 TYR A 76 0.700 5.211 -10.904 1.00 11.12 C ATOM 1211 CE1 TYR A 76 2.406 5.705 -13.068 1.00 11.35 C ATOM 1212 CE2 TYR A 76 0.337 6.142 -11.885 1.00 72.52 C ATOM 1213 CZ TYR A 76 1.189 6.388 -12.967 1.00 4.34 C ATOM 1214 OH TYR A 76 0.830 7.304 -13.935 1.00 23.33 O ATOM 0 H TYR A 76 -0.136 2.478 -10.201 1.00 20.31 H new ATOM 0 HA TYR A 76 2.569 1.880 -11.317 1.00 54.31 H new ATOM 0 HB2 TYR A 76 1.792 3.720 -9.017 1.00 25.33 H new ATOM 0 HB3 TYR A 76 3.373 3.558 -9.756 1.00 25.33 H new ATOM 0 HD1 TYR A 76 3.711 4.250 -12.163 1.00 73.11 H new ATOM 0 HD2 TYR A 76 0.040 5.019 -10.071 1.00 11.12 H new ATOM 0 HE1 TYR A 76 3.064 5.894 -13.903 1.00 11.35 H new ATOM 0 HE2 TYR A 76 -0.602 6.671 -11.806 1.00 72.52 H new ATOM 0 HH TYR A 76 -0.044 7.687 -13.714 1.00 23.33 H new ATOM 1224 N TYR A 77 3.309 0.502 -9.302 1.00 13.23 N ATOM 1225 CA TYR A 77 3.563 -0.545 -8.308 1.00 64.31 C ATOM 1226 C TYR A 77 5.029 -0.642 -7.891 1.00 23.13 C ATOM 1227 O TYR A 77 5.933 -0.541 -8.721 1.00 24.02 O ATOM 1228 CB TYR A 77 3.082 -1.903 -8.855 1.00 54.32 C ATOM 1229 CG TYR A 77 4.209 -2.617 -9.576 1.00 1.44 C ATOM 1230 CD1 TYR A 77 4.662 -2.146 -10.814 1.00 24.12 C ATOM 1231 CD2 TYR A 77 4.800 -3.750 -9.000 1.00 72.44 C ATOM 1232 CE1 TYR A 77 5.706 -2.805 -11.475 1.00 15.25 C ATOM 1233 CE2 TYR A 77 5.842 -4.408 -9.662 1.00 14.12 C ATOM 1234 CZ TYR A 77 6.296 -3.937 -10.899 1.00 23.33 C ATOM 1235 OH TYR A 77 7.324 -4.586 -11.551 1.00 34.21 O ATOM 0 H TYR A 77 4.110 0.748 -9.884 1.00 13.23 H new ATOM 0 HA TYR A 77 3.004 -0.273 -7.413 1.00 64.31 H new ATOM 0 HB2 TYR A 77 2.717 -2.522 -8.036 1.00 54.32 H new ATOM 0 HB3 TYR A 77 2.245 -1.751 -9.537 1.00 54.32 H new ATOM 0 HD1 TYR A 77 4.206 -1.274 -11.259 1.00 24.12 H new ATOM 0 HD2 TYR A 77 4.451 -4.115 -8.045 1.00 72.44 H new ATOM 0 HE1 TYR A 77 6.056 -2.440 -12.429 1.00 15.25 H new ATOM 0 HE2 TYR A 77 6.297 -5.281 -9.218 1.00 14.12 H new ATOM 0 HH TYR A 77 7.621 -5.351 -11.014 1.00 34.21 H new ATOM 1245 N SER A 78 5.248 -0.884 -6.597 1.00 34.12 N ATOM 1246 CA SER A 78 6.595 -1.047 -6.061 1.00 44.32 C ATOM 1247 C SER A 78 6.852 -2.531 -5.802 1.00 31.35 C ATOM 1248 O SER A 78 6.359 -3.098 -4.828 1.00 51.51 O ATOM 1249 CB SER A 78 6.735 -0.267 -4.754 1.00 72.53 C ATOM 1250 OG SER A 78 8.068 -0.385 -4.276 1.00 63.21 O ATOM 0 H SER A 78 4.506 -0.971 -5.902 1.00 34.12 H new ATOM 0 HA SER A 78 7.320 -0.665 -6.779 1.00 44.32 H new ATOM 0 HB2 SER A 78 6.486 0.782 -4.915 1.00 72.53 H new ATOM 0 HB3 SER A 78 6.035 -0.651 -4.012 1.00 72.53 H new ATOM 0 HG SER A 78 8.694 -0.127 -4.985 1.00 63.21 H new ATOM 1256 N GLU A 79 7.602 -3.153 -6.701 1.00 62.43 N ATOM 1257 CA GLU A 79 7.901 -4.579 -6.594 1.00 61.20 C ATOM 1258 C GLU A 79 8.451 -4.950 -5.217 1.00 63.04 C ATOM 1259 O GLU A 79 8.156 -6.026 -4.696 1.00 34.22 O ATOM 1260 CB GLU A 79 8.918 -4.972 -7.667 1.00 63.42 C ATOM 1261 CG GLU A 79 9.013 -6.497 -7.748 1.00 51.11 C ATOM 1262 CD GLU A 79 10.119 -6.899 -8.716 1.00 61.44 C ATOM 1263 OE1 GLU A 79 10.767 -6.012 -9.248 1.00 14.04 O ATOM 1264 OE2 GLU A 79 10.305 -8.089 -8.911 1.00 33.42 O ATOM 0 H GLU A 79 8.016 -2.695 -7.513 1.00 62.43 H new ATOM 0 HA GLU A 79 6.967 -5.122 -6.738 1.00 61.20 H new ATOM 0 HB2 GLU A 79 8.619 -4.564 -8.633 1.00 63.42 H new ATOM 0 HB3 GLU A 79 9.894 -4.549 -7.430 1.00 63.42 H new ATOM 0 HG2 GLU A 79 9.215 -6.910 -6.760 1.00 51.11 H new ATOM 0 HG3 GLU A 79 8.061 -6.912 -8.078 1.00 51.11 H new ATOM 1271 N GLU A 80 9.274 -4.079 -4.647 1.00 52.34 N ATOM 1272 CA GLU A 80 9.882 -4.357 -3.347 1.00 52.25 C ATOM 1273 C GLU A 80 8.896 -4.198 -2.187 1.00 12.04 C ATOM 1274 O GLU A 80 9.026 -4.874 -1.168 1.00 24.00 O ATOM 1275 CB GLU A 80 11.082 -3.430 -3.122 1.00 55.45 C ATOM 1276 CG GLU A 80 10.678 -1.972 -3.384 1.00 30.33 C ATOM 1277 CD GLU A 80 10.731 -1.666 -4.878 1.00 21.44 C ATOM 1278 OE1 GLU A 80 10.983 -2.583 -5.644 1.00 63.24 O ATOM 1279 OE2 GLU A 80 10.517 -0.520 -5.236 1.00 35.03 O ATOM 0 H GLU A 80 9.535 -3.182 -5.057 1.00 52.34 H new ATOM 0 HA GLU A 80 10.203 -5.398 -3.365 1.00 52.25 H new ATOM 0 HB2 GLU A 80 11.447 -3.536 -2.101 1.00 55.45 H new ATOM 0 HB3 GLU A 80 11.900 -3.714 -3.784 1.00 55.45 H new ATOM 0 HG2 GLU A 80 9.672 -1.793 -3.005 1.00 30.33 H new ATOM 0 HG3 GLU A 80 11.346 -1.300 -2.845 1.00 30.33 H new ATOM 1286 N ALA A 81 7.929 -3.290 -2.325 1.00 65.34 N ATOM 1287 CA ALA A 81 6.960 -3.052 -1.248 1.00 42.10 C ATOM 1288 C ALA A 81 5.597 -3.673 -1.548 1.00 0.31 C ATOM 1289 O ALA A 81 4.635 -3.429 -0.819 1.00 12.34 O ATOM 1290 CB ALA A 81 6.794 -1.545 -1.031 1.00 60.53 C ATOM 0 H ALA A 81 7.794 -2.715 -3.156 1.00 65.34 H new ATOM 0 HA ALA A 81 7.349 -3.527 -0.347 1.00 42.10 H new ATOM 0 HB1 ALA A 81 6.074 -1.370 -0.231 1.00 60.53 H new ATOM 0 HB2 ALA A 81 7.755 -1.109 -0.757 1.00 60.53 H new ATOM 0 HB3 ALA A 81 6.435 -1.082 -1.950 1.00 60.53 H new ATOM 1296 N LYS A 82 5.511 -4.474 -2.611 1.00 21.31 N ATOM 1297 CA LYS A 82 4.244 -5.118 -2.978 1.00 52.21 C ATOM 1298 C LYS A 82 3.065 -4.199 -2.668 1.00 44.35 C ATOM 1299 O LYS A 82 2.168 -4.545 -1.891 1.00 2.02 O ATOM 1300 CB LYS A 82 4.085 -6.436 -2.216 1.00 74.04 C ATOM 1301 CG LYS A 82 5.255 -7.363 -2.552 1.00 42.22 C ATOM 1302 CD LYS A 82 4.990 -8.756 -1.975 1.00 33.13 C ATOM 1303 CE LYS A 82 4.784 -8.663 -0.459 1.00 64.01 C ATOM 1304 NZ LYS A 82 5.725 -7.658 0.114 1.00 52.33 N ATOM 0 H LYS A 82 6.293 -4.692 -3.229 1.00 21.31 H new ATOM 0 HA LYS A 82 4.259 -5.320 -4.049 1.00 52.21 H new ATOM 0 HB2 LYS A 82 4.053 -6.247 -1.143 1.00 74.04 H new ATOM 0 HB3 LYS A 82 3.142 -6.912 -2.484 1.00 74.04 H new ATOM 0 HG2 LYS A 82 5.384 -7.425 -3.633 1.00 42.22 H new ATOM 0 HG3 LYS A 82 6.181 -6.959 -2.143 1.00 42.22 H new ATOM 0 HD2 LYS A 82 4.108 -9.192 -2.444 1.00 33.13 H new ATOM 0 HD3 LYS A 82 5.828 -9.416 -2.197 1.00 33.13 H new ATOM 0 HE2 LYS A 82 3.755 -8.379 -0.239 1.00 64.01 H new ATOM 0 HE3 LYS A 82 4.952 -9.637 0.001 1.00 64.01 H new ATOM 0 HZ1 LYS A 82 5.861 -7.848 1.128 1.00 52.33 H new ATOM 0 HZ2 LYS A 82 6.640 -7.721 -0.375 1.00 52.33 H new ATOM 0 HZ3 LYS A 82 5.331 -6.703 -0.010 1.00 52.33 H new ATOM 1318 N LYS A 83 3.086 -3.028 -3.291 1.00 4.20 N ATOM 1319 CA LYS A 83 2.037 -2.028 -3.102 1.00 70.41 C ATOM 1320 C LYS A 83 1.806 -1.257 -4.395 1.00 2.53 C ATOM 1321 O LYS A 83 2.753 -0.771 -5.013 1.00 64.44 O ATOM 1322 CB LYS A 83 2.448 -1.059 -1.986 1.00 33.14 C ATOM 1323 CG LYS A 83 1.423 0.074 -1.868 1.00 34.14 C ATOM 1324 CD LYS A 83 1.799 0.984 -0.693 1.00 35.04 C ATOM 1325 CE LYS A 83 1.093 2.336 -0.840 1.00 11.14 C ATOM 1326 NZ LYS A 83 1.037 3.015 0.485 1.00 33.21 N ATOM 0 H LYS A 83 3.823 -2.744 -3.937 1.00 4.20 H new ATOM 0 HA LYS A 83 1.111 -2.532 -2.824 1.00 70.41 H new ATOM 0 HB2 LYS A 83 2.522 -1.593 -1.039 1.00 33.14 H new ATOM 0 HB3 LYS A 83 3.435 -0.647 -2.197 1.00 33.14 H new ATOM 0 HG2 LYS A 83 1.394 0.650 -2.793 1.00 34.14 H new ATOM 0 HG3 LYS A 83 0.425 -0.338 -1.718 1.00 34.14 H new ATOM 0 HD2 LYS A 83 1.514 0.515 0.249 1.00 35.04 H new ATOM 0 HD3 LYS A 83 2.879 1.128 -0.663 1.00 35.04 H new ATOM 0 HE2 LYS A 83 1.625 2.960 -1.558 1.00 11.14 H new ATOM 0 HE3 LYS A 83 0.085 2.191 -1.229 1.00 11.14 H new ATOM 0 HZ1 LYS A 83 0.113 3.478 0.599 1.00 33.21 H new ATOM 0 HZ2 LYS A 83 1.167 2.313 1.241 1.00 33.21 H new ATOM 0 HZ3 LYS A 83 1.791 3.729 0.542 1.00 33.21 H new ATOM 1340 N LYS A 84 0.544 -1.168 -4.812 1.00 61.33 N ATOM 1341 CA LYS A 84 0.202 -0.470 -6.054 1.00 15.13 C ATOM 1342 C LYS A 84 -0.886 0.569 -5.824 1.00 33.04 C ATOM 1343 O LYS A 84 -1.827 0.344 -5.064 1.00 5.31 O ATOM 1344 CB LYS A 84 -0.263 -1.488 -7.117 1.00 63.23 C ATOM 1345 CG LYS A 84 0.154 -2.903 -6.702 1.00 1.24 C ATOM 1346 CD LYS A 84 0.016 -3.849 -7.899 1.00 22.24 C ATOM 1347 CE LYS A 84 0.228 -5.291 -7.436 1.00 73.10 C ATOM 1348 NZ LYS A 84 -0.731 -5.606 -6.339 1.00 24.43 N ATOM 0 H LYS A 84 -0.253 -1.566 -4.315 1.00 61.33 H new ATOM 0 HA LYS A 84 1.094 0.047 -6.408 1.00 15.13 H new ATOM 0 HB2 LYS A 84 -1.346 -1.438 -7.232 1.00 63.23 H new ATOM 0 HB3 LYS A 84 0.172 -1.240 -8.085 1.00 63.23 H new ATOM 0 HG2 LYS A 84 1.184 -2.900 -6.344 1.00 1.24 H new ATOM 0 HG3 LYS A 84 -0.469 -3.250 -5.877 1.00 1.24 H new ATOM 0 HD2 LYS A 84 -0.971 -3.742 -8.349 1.00 22.24 H new ATOM 0 HD3 LYS A 84 0.746 -3.591 -8.666 1.00 22.24 H new ATOM 0 HE2 LYS A 84 0.082 -5.977 -8.270 1.00 73.10 H new ATOM 0 HE3 LYS A 84 1.252 -5.426 -7.088 1.00 73.10 H new ATOM 0 HZ1 LYS A 84 -1.016 -6.604 -6.403 1.00 24.43 H new ATOM 0 HZ2 LYS A 84 -0.275 -5.435 -5.420 1.00 24.43 H new ATOM 0 HZ3 LYS A 84 -1.571 -4.999 -6.427 1.00 24.43 H new ATOM 1362 N VAL A 85 -0.761 1.701 -6.520 1.00 54.21 N ATOM 1363 CA VAL A 85 -1.756 2.760 -6.416 1.00 33.14 C ATOM 1364 C VAL A 85 -2.102 3.278 -7.807 1.00 25.24 C ATOM 1365 O VAL A 85 -1.223 3.578 -8.615 1.00 41.14 O ATOM 1366 CB VAL A 85 -1.244 3.876 -5.478 1.00 5.13 C ATOM 1367 CG1 VAL A 85 -0.437 3.225 -4.349 1.00 50.04 C ATOM 1368 CG2 VAL A 85 -0.350 4.918 -6.206 1.00 32.55 C ATOM 0 H VAL A 85 0.012 1.903 -7.154 1.00 54.21 H new ATOM 0 HA VAL A 85 -2.674 2.369 -5.977 1.00 33.14 H new ATOM 0 HB VAL A 85 -2.112 4.413 -5.096 1.00 5.13 H new ATOM 0 HG11 VAL A 85 -0.066 3.997 -3.675 1.00 50.04 H new ATOM 0 HG12 VAL A 85 -1.076 2.536 -3.796 1.00 50.04 H new ATOM 0 HG13 VAL A 85 0.405 2.678 -4.773 1.00 50.04 H new ATOM 0 HG21 VAL A 85 -0.022 5.676 -5.495 1.00 32.55 H new ATOM 0 HG22 VAL A 85 0.520 4.417 -6.630 1.00 32.55 H new ATOM 0 HG23 VAL A 85 -0.921 5.393 -7.004 1.00 32.55 H new ATOM 1378 N GLU A 86 -3.406 3.320 -8.093 1.00 74.44 N ATOM 1379 CA GLU A 86 -3.893 3.735 -9.410 1.00 64.25 C ATOM 1380 C GLU A 86 -4.824 4.927 -9.309 1.00 40.21 C ATOM 1381 O GLU A 86 -5.709 4.971 -8.454 1.00 1.22 O ATOM 1382 CB GLU A 86 -4.662 2.583 -10.058 1.00 73.23 C ATOM 1383 CG GLU A 86 -5.852 2.205 -9.174 1.00 21.42 C ATOM 1384 CD GLU A 86 -6.434 0.870 -9.626 1.00 24.03 C ATOM 1385 OE1 GLU A 86 -6.075 0.424 -10.703 1.00 20.02 O ATOM 1386 OE2 GLU A 86 -7.231 0.313 -8.889 1.00 42.40 O ATOM 0 H GLU A 86 -4.142 3.072 -7.431 1.00 74.44 H new ATOM 0 HA GLU A 86 -3.026 4.012 -10.010 1.00 64.25 H new ATOM 0 HB2 GLU A 86 -5.009 2.875 -11.049 1.00 73.23 H new ATOM 0 HB3 GLU A 86 -4.006 1.723 -10.191 1.00 73.23 H new ATOM 0 HG2 GLU A 86 -5.536 2.139 -8.133 1.00 21.42 H new ATOM 0 HG3 GLU A 86 -6.616 2.981 -9.227 1.00 21.42 H new ATOM 1393 N VAL A 87 -4.620 5.890 -10.194 1.00 1.04 N ATOM 1394 CA VAL A 87 -5.452 7.082 -10.194 1.00 71.31 C ATOM 1395 C VAL A 87 -6.927 6.713 -10.380 1.00 43.10 C ATOM 1396 O VAL A 87 -7.409 6.551 -11.501 1.00 5.40 O ATOM 1397 CB VAL A 87 -4.995 8.029 -11.316 1.00 4.05 C ATOM 1398 CG1 VAL A 87 -4.653 7.212 -12.566 1.00 21.34 C ATOM 1399 CG2 VAL A 87 -6.105 9.043 -11.648 1.00 45.42 C ATOM 0 H VAL A 87 -3.896 5.871 -10.912 1.00 1.04 H new ATOM 0 HA VAL A 87 -5.347 7.585 -9.233 1.00 71.31 H new ATOM 0 HB VAL A 87 -4.112 8.574 -10.981 1.00 4.05 H new ATOM 0 HG11 VAL A 87 -4.329 7.883 -13.362 1.00 21.34 H new ATOM 0 HG12 VAL A 87 -3.852 6.510 -12.334 1.00 21.34 H new ATOM 0 HG13 VAL A 87 -5.535 6.661 -12.893 1.00 21.34 H new ATOM 0 HG21 VAL A 87 -5.766 9.706 -12.444 1.00 45.42 H new ATOM 0 HG22 VAL A 87 -6.998 8.511 -11.975 1.00 45.42 H new ATOM 0 HG23 VAL A 87 -6.338 9.631 -10.760 1.00 45.42 H new ATOM 1409 N LEU A 88 -7.636 6.603 -9.260 1.00 5.13 N ATOM 1410 CA LEU A 88 -9.061 6.279 -9.276 1.00 14.04 C ATOM 1411 C LEU A 88 -9.847 7.582 -9.362 1.00 60.34 C ATOM 1412 O LEU A 88 -11.012 7.618 -9.755 1.00 4.54 O ATOM 1413 CB LEU A 88 -9.429 5.508 -7.992 1.00 42.12 C ATOM 1414 CG LEU A 88 -10.528 4.465 -8.267 1.00 42.32 C ATOM 1415 CD1 LEU A 88 -11.756 5.152 -8.868 1.00 72.52 C ATOM 1416 CD2 LEU A 88 -10.011 3.377 -9.229 1.00 14.00 C ATOM 0 H LEU A 88 -7.246 6.734 -8.327 1.00 5.13 H new ATOM 0 HA LEU A 88 -9.302 5.651 -10.134 1.00 14.04 H new ATOM 0 HB2 LEU A 88 -8.543 5.012 -7.596 1.00 42.12 H new ATOM 0 HB3 LEU A 88 -9.770 6.208 -7.229 1.00 42.12 H new ATOM 0 HG LEU A 88 -10.805 3.992 -7.325 1.00 42.32 H new ATOM 0 HD11 LEU A 88 -12.530 4.410 -9.061 1.00 72.52 H new ATOM 0 HD12 LEU A 88 -12.134 5.898 -8.169 1.00 72.52 H new ATOM 0 HD13 LEU A 88 -11.479 5.639 -9.803 1.00 72.52 H new ATOM 0 HD21 LEU A 88 -10.801 2.648 -9.412 1.00 14.00 H new ATOM 0 HD22 LEU A 88 -9.715 3.836 -10.172 1.00 14.00 H new ATOM 0 HD23 LEU A 88 -9.151 2.876 -8.784 1.00 14.00 H new ATOM 1428 N ASP A 89 -9.159 8.652 -9.003 1.00 63.45 N ATOM 1429 CA ASP A 89 -9.701 9.999 -9.024 1.00 52.10 C ATOM 1430 C ASP A 89 -8.590 10.926 -8.551 1.00 22.01 C ATOM 1431 O ASP A 89 -8.065 10.751 -7.451 1.00 32.14 O ATOM 1432 CB ASP A 89 -10.932 10.115 -8.105 1.00 0.24 C ATOM 1433 CG ASP A 89 -11.997 11.002 -8.746 1.00 3.14 C ATOM 1434 OD1 ASP A 89 -11.962 12.200 -8.513 1.00 22.13 O ATOM 1435 OD2 ASP A 89 -12.833 10.471 -9.460 1.00 3.45 O ATOM 0 H ASP A 89 -8.191 8.608 -8.683 1.00 63.45 H new ATOM 0 HA ASP A 89 -10.032 10.264 -10.028 1.00 52.10 H new ATOM 0 HB2 ASP A 89 -11.344 9.124 -7.912 1.00 0.24 H new ATOM 0 HB3 ASP A 89 -10.636 10.530 -7.142 1.00 0.24 H new ATOM 1440 N THR A 90 -8.201 11.884 -9.379 1.00 61.52 N ATOM 1441 CA THR A 90 -7.113 12.778 -9.004 1.00 2.42 C ATOM 1442 C THR A 90 -7.314 14.169 -9.605 1.00 13.23 C ATOM 1443 O THR A 90 -7.433 14.329 -10.819 1.00 1.21 O ATOM 1444 CB THR A 90 -5.779 12.139 -9.452 1.00 74.32 C ATOM 1445 OG1 THR A 90 -4.727 12.456 -8.540 1.00 32.24 O ATOM 1446 CG2 THR A 90 -5.397 12.615 -10.858 1.00 23.33 C ATOM 0 H THR A 90 -8.611 12.062 -10.296 1.00 61.52 H new ATOM 0 HA THR A 90 -7.096 12.912 -7.922 1.00 2.42 H new ATOM 0 HB THR A 90 -5.919 11.058 -9.465 1.00 74.32 H new ATOM 0 HG1 THR A 90 -3.898 12.611 -9.038 1.00 32.24 H new ATOM 0 HG21 THR A 90 -4.455 12.154 -11.155 1.00 23.33 H new ATOM 0 HG22 THR A 90 -6.178 12.331 -11.563 1.00 23.33 H new ATOM 0 HG23 THR A 90 -5.286 13.699 -10.857 1.00 23.33 H new ATOM 1454 N ASP A 91 -7.336 15.168 -8.732 1.00 74.13 N ATOM 1455 CA ASP A 91 -7.503 16.551 -9.161 1.00 21.22 C ATOM 1456 C ASP A 91 -6.147 17.129 -9.527 1.00 33.12 C ATOM 1457 O ASP A 91 -6.037 18.019 -10.371 1.00 15.43 O ATOM 1458 CB ASP A 91 -8.120 17.374 -8.035 1.00 40.13 C ATOM 1459 CG ASP A 91 -8.529 18.749 -8.553 1.00 21.25 C ATOM 1460 OD1 ASP A 91 -9.612 18.854 -9.105 1.00 51.45 O ATOM 1461 OD2 ASP A 91 -7.753 19.676 -8.392 1.00 24.44 O ATOM 0 H ASP A 91 -7.240 15.047 -7.724 1.00 74.13 H new ATOM 0 HA ASP A 91 -8.163 16.582 -10.028 1.00 21.22 H new ATOM 0 HB2 ASP A 91 -8.989 16.856 -7.630 1.00 40.13 H new ATOM 0 HB3 ASP A 91 -7.405 17.482 -7.219 1.00 40.13 H new ATOM 1466 N TYR A 92 -5.115 16.595 -8.886 1.00 32.54 N ATOM 1467 CA TYR A 92 -3.749 17.028 -9.135 1.00 12.11 C ATOM 1468 C TYR A 92 -3.568 18.511 -8.817 1.00 0.24 C ATOM 1469 O TYR A 92 -2.584 19.115 -9.242 1.00 12.25 O ATOM 1470 CB TYR A 92 -3.379 16.756 -10.610 1.00 43.41 C ATOM 1471 CG TYR A 92 -2.358 15.641 -10.704 1.00 55.33 C ATOM 1472 CD1 TYR A 92 -2.557 14.449 -9.996 1.00 31.44 C ATOM 1473 CD2 TYR A 92 -1.216 15.801 -11.498 1.00 71.13 C ATOM 1474 CE1 TYR A 92 -1.614 13.420 -10.082 1.00 43.34 C ATOM 1475 CE2 TYR A 92 -0.274 14.770 -11.583 1.00 15.14 C ATOM 1476 CZ TYR A 92 -0.473 13.581 -10.875 1.00 41.01 C ATOM 1477 OH TYR A 92 0.458 12.569 -10.957 1.00 3.13 O ATOM 0 H TYR A 92 -5.201 15.858 -8.187 1.00 32.54 H new ATOM 0 HA TYR A 92 -3.087 16.462 -8.480 1.00 12.11 H new ATOM 0 HB2 TYR A 92 -4.273 16.486 -11.172 1.00 43.41 H new ATOM 0 HB3 TYR A 92 -2.979 17.663 -11.064 1.00 43.41 H new ATOM 0 HD1 TYR A 92 -3.438 14.325 -9.384 1.00 31.44 H new ATOM 0 HD2 TYR A 92 -1.062 16.720 -12.045 1.00 71.13 H new ATOM 0 HE1 TYR A 92 -1.767 12.501 -9.536 1.00 43.34 H new ATOM 0 HE2 TYR A 92 0.607 14.893 -12.196 1.00 15.14 H new ATOM 0 HH TYR A 92 0.839 12.403 -10.070 1.00 3.13 H new ATOM 1487 N LYS A 93 -4.502 19.107 -8.076 1.00 72.45 N ATOM 1488 CA LYS A 93 -4.390 20.522 -7.738 1.00 2.32 C ATOM 1489 C LYS A 93 -5.143 20.828 -6.444 1.00 43.41 C ATOM 1490 O LYS A 93 -4.758 21.721 -5.690 1.00 54.34 O ATOM 1491 CB LYS A 93 -4.974 21.373 -8.868 1.00 54.15 C ATOM 1492 CG LYS A 93 -4.032 21.360 -10.075 1.00 14.21 C ATOM 1493 CD LYS A 93 -4.480 22.423 -11.081 1.00 4.50 C ATOM 1494 CE LYS A 93 -3.553 22.397 -12.298 1.00 33.33 C ATOM 1495 NZ LYS A 93 -3.666 21.077 -12.980 1.00 22.14 N ATOM 0 H LYS A 93 -5.330 18.641 -7.705 1.00 72.45 H new ATOM 0 HA LYS A 93 -3.335 20.759 -7.601 1.00 2.32 H new ATOM 0 HB2 LYS A 93 -5.952 20.988 -9.156 1.00 54.15 H new ATOM 0 HB3 LYS A 93 -5.123 22.396 -8.524 1.00 54.15 H new ATOM 0 HG2 LYS A 93 -3.009 21.556 -9.754 1.00 14.21 H new ATOM 0 HG3 LYS A 93 -4.036 20.376 -10.543 1.00 14.21 H new ATOM 0 HD2 LYS A 93 -5.508 22.236 -11.390 1.00 4.50 H new ATOM 0 HD3 LYS A 93 -4.461 23.409 -10.617 1.00 4.50 H new ATOM 0 HE2 LYS A 93 -3.818 23.199 -12.988 1.00 33.33 H new ATOM 0 HE3 LYS A 93 -2.523 22.571 -11.988 1.00 33.33 H new ATOM 0 HZ1 LYS A 93 -3.758 21.223 -14.006 1.00 22.14 H new ATOM 0 HZ2 LYS A 93 -2.815 20.512 -12.785 1.00 22.14 H new ATOM 0 HZ3 LYS A 93 -4.504 20.574 -12.626 1.00 22.14 H new ATOM 1509 N SER A 94 -6.230 20.092 -6.202 1.00 53.35 N ATOM 1510 CA SER A 94 -7.046 20.305 -5.002 1.00 43.51 C ATOM 1511 C SER A 94 -7.035 19.077 -4.093 1.00 32.43 C ATOM 1512 O SER A 94 -6.588 19.147 -2.949 1.00 70.12 O ATOM 1513 CB SER A 94 -8.487 20.617 -5.409 1.00 31.12 C ATOM 1514 OG SER A 94 -9.111 19.427 -5.874 1.00 62.14 O ATOM 0 H SER A 94 -6.565 19.349 -6.815 1.00 53.35 H new ATOM 0 HA SER A 94 -6.620 21.144 -4.451 1.00 43.51 H new ATOM 0 HB2 SER A 94 -9.037 21.022 -4.560 1.00 31.12 H new ATOM 0 HB3 SER A 94 -8.500 21.377 -6.190 1.00 31.12 H new ATOM 0 HG SER A 94 -9.715 19.083 -5.183 1.00 62.14 H new ATOM 1520 N TYR A 95 -7.532 17.953 -4.605 1.00 15.34 N ATOM 1521 CA TYR A 95 -7.576 16.719 -3.823 1.00 5.52 C ATOM 1522 C TYR A 95 -7.617 15.511 -4.751 1.00 54.54 C ATOM 1523 O TYR A 95 -7.936 15.643 -5.932 1.00 1.12 O ATOM 1524 CB TYR A 95 -8.814 16.718 -2.928 1.00 44.14 C ATOM 1525 CG TYR A 95 -10.010 17.172 -3.732 1.00 23.33 C ATOM 1526 CD1 TYR A 95 -10.757 16.240 -4.464 1.00 54.52 C ATOM 1527 CD2 TYR A 95 -10.372 18.524 -3.746 1.00 23.14 C ATOM 1528 CE1 TYR A 95 -11.864 16.662 -5.209 1.00 52.44 C ATOM 1529 CE2 TYR A 95 -11.478 18.945 -4.491 1.00 51.23 C ATOM 1530 CZ TYR A 95 -12.225 18.015 -5.223 1.00 65.22 C ATOM 1531 OH TYR A 95 -13.317 18.430 -5.958 1.00 65.12 O ATOM 0 H TYR A 95 -7.907 17.871 -5.550 1.00 15.34 H new ATOM 0 HA TYR A 95 -6.681 16.663 -3.204 1.00 5.52 H new ATOM 0 HB2 TYR A 95 -8.988 15.719 -2.529 1.00 44.14 H new ATOM 0 HB3 TYR A 95 -8.662 17.380 -2.076 1.00 44.14 H new ATOM 0 HD1 TYR A 95 -10.479 15.197 -4.453 1.00 54.52 H new ATOM 0 HD2 TYR A 95 -9.797 19.243 -3.181 1.00 23.14 H new ATOM 0 HE1 TYR A 95 -12.440 15.944 -5.773 1.00 52.44 H new ATOM 0 HE2 TYR A 95 -11.756 19.989 -4.502 1.00 51.23 H new ATOM 0 HH TYR A 95 -13.430 19.398 -5.858 1.00 65.12 H new ATOM 1541 N ALA A 96 -7.285 14.331 -4.226 1.00 1.44 N ATOM 1542 CA ALA A 96 -7.289 13.128 -5.056 1.00 22.30 C ATOM 1543 C ALA A 96 -7.673 11.882 -4.263 1.00 13.33 C ATOM 1544 O ALA A 96 -7.285 11.714 -3.107 1.00 32.15 O ATOM 1545 CB ALA A 96 -5.902 12.915 -5.667 1.00 34.42 C ATOM 0 H ALA A 96 -7.016 14.184 -3.253 1.00 1.44 H new ATOM 0 HA ALA A 96 -8.035 13.278 -5.837 1.00 22.30 H new ATOM 0 HB1 ALA A 96 -5.911 12.017 -6.285 1.00 34.42 H new ATOM 0 HB2 ALA A 96 -5.639 13.776 -6.282 1.00 34.42 H new ATOM 0 HB3 ALA A 96 -5.167 12.800 -4.870 1.00 34.42 H new ATOM 1551 N VAL A 97 -8.412 10.993 -4.927 1.00 41.15 N ATOM 1552 CA VAL A 97 -8.828 9.724 -4.327 1.00 53.33 C ATOM 1553 C VAL A 97 -8.215 8.607 -5.151 1.00 34.43 C ATOM 1554 O VAL A 97 -8.415 8.548 -6.364 1.00 45.11 O ATOM 1555 CB VAL A 97 -10.358 9.595 -4.315 1.00 73.01 C ATOM 1556 CG1 VAL A 97 -10.778 8.572 -3.255 1.00 52.51 C ATOM 1557 CG2 VAL A 97 -10.982 10.954 -3.991 1.00 45.23 C ATOM 0 H VAL A 97 -8.736 11.129 -5.885 1.00 41.15 H new ATOM 0 HA VAL A 97 -8.490 9.673 -3.292 1.00 53.33 H new ATOM 0 HB VAL A 97 -10.702 9.262 -5.294 1.00 73.01 H new ATOM 0 HG11 VAL A 97 -11.864 8.481 -3.247 1.00 52.51 H new ATOM 0 HG12 VAL A 97 -10.335 7.604 -3.488 1.00 52.51 H new ATOM 0 HG13 VAL A 97 -10.435 8.902 -2.275 1.00 52.51 H new ATOM 0 HG21 VAL A 97 -12.068 10.863 -3.982 1.00 45.23 H new ATOM 0 HG22 VAL A 97 -10.638 11.288 -3.012 1.00 45.23 H new ATOM 0 HG23 VAL A 97 -10.685 11.680 -4.747 1.00 45.23 H new ATOM 1567 N ILE A 98 -7.418 7.760 -4.513 1.00 64.01 N ATOM 1568 CA ILE A 98 -6.724 6.698 -5.230 1.00 32.23 C ATOM 1569 C ILE A 98 -6.956 5.338 -4.583 1.00 22.44 C ATOM 1570 O ILE A 98 -7.141 5.235 -3.370 1.00 0.24 O ATOM 1571 CB ILE A 98 -5.233 7.030 -5.221 1.00 42.23 C ATOM 1572 CG1 ILE A 98 -5.057 8.528 -5.524 1.00 5.33 C ATOM 1573 CG2 ILE A 98 -4.500 6.199 -6.277 1.00 35.45 C ATOM 1574 CD1 ILE A 98 -3.582 8.908 -5.438 1.00 53.14 C ATOM 0 H ILE A 98 -7.237 7.786 -3.510 1.00 64.01 H new ATOM 0 HA ILE A 98 -7.108 6.639 -6.248 1.00 32.23 H new ATOM 0 HB ILE A 98 -4.813 6.796 -4.243 1.00 42.23 H new ATOM 0 HG12 ILE A 98 -5.442 8.754 -6.518 1.00 5.33 H new ATOM 0 HG13 ILE A 98 -5.636 9.121 -4.816 1.00 5.33 H new ATOM 0 HG21 ILE A 98 -3.438 6.445 -6.261 1.00 35.45 H new ATOM 0 HG22 ILE A 98 -4.630 5.139 -6.061 1.00 35.45 H new ATOM 0 HG23 ILE A 98 -4.909 6.421 -7.263 1.00 35.45 H new ATOM 0 HD11 ILE A 98 -3.467 9.970 -5.654 1.00 53.14 H new ATOM 0 HD12 ILE A 98 -3.210 8.699 -4.435 1.00 53.14 H new ATOM 0 HD13 ILE A 98 -3.014 8.326 -6.164 1.00 53.14 H new ATOM 1586 N TYR A 99 -6.951 4.299 -5.412 1.00 12.11 N ATOM 1587 CA TYR A 99 -7.170 2.940 -4.928 1.00 44.33 C ATOM 1588 C TYR A 99 -5.832 2.242 -4.686 1.00 11.43 C ATOM 1589 O TYR A 99 -5.132 1.861 -5.624 1.00 12.40 O ATOM 1590 CB TYR A 99 -7.989 2.156 -5.963 1.00 52.14 C ATOM 1591 CG TYR A 99 -8.741 1.032 -5.290 1.00 72.42 C ATOM 1592 CD1 TYR A 99 -9.937 1.299 -4.614 1.00 23.34 C ATOM 1593 CD2 TYR A 99 -8.246 -0.277 -5.347 1.00 23.22 C ATOM 1594 CE1 TYR A 99 -10.639 0.258 -3.994 1.00 31.33 C ATOM 1595 CE2 TYR A 99 -8.947 -1.318 -4.727 1.00 21.51 C ATOM 1596 CZ TYR A 99 -10.143 -1.050 -4.052 1.00 43.45 C ATOM 1597 OH TYR A 99 -10.835 -2.077 -3.440 1.00 3.02 O ATOM 0 H TYR A 99 -6.798 4.371 -6.418 1.00 12.11 H new ATOM 0 HA TYR A 99 -7.717 2.980 -3.986 1.00 44.33 H new ATOM 0 HB2 TYR A 99 -8.690 2.824 -6.464 1.00 52.14 H new ATOM 0 HB3 TYR A 99 -7.328 1.753 -6.731 1.00 52.14 H new ATOM 0 HD1 TYR A 99 -10.319 2.308 -4.570 1.00 23.34 H new ATOM 0 HD2 TYR A 99 -7.323 -0.483 -5.869 1.00 23.22 H new ATOM 0 HE1 TYR A 99 -11.562 0.464 -3.472 1.00 31.33 H new ATOM 0 HE2 TYR A 99 -8.565 -2.327 -4.770 1.00 21.51 H new ATOM 0 HH TYR A 99 -10.499 -2.938 -3.767 1.00 3.02 H new ATOM 1607 N ALA A 100 -5.488 2.093 -3.408 1.00 60.31 N ATOM 1608 CA ALA A 100 -4.230 1.454 -3.020 1.00 51.13 C ATOM 1609 C ALA A 100 -4.476 0.023 -2.562 1.00 41.03 C ATOM 1610 O ALA A 100 -5.476 -0.267 -1.905 1.00 31.34 O ATOM 1611 CB ALA A 100 -3.569 2.243 -1.888 1.00 1.40 C ATOM 0 H ALA A 100 -6.061 2.405 -2.624 1.00 60.31 H new ATOM 0 HA ALA A 100 -3.571 1.440 -3.888 1.00 51.13 H new ATOM 0 HB1 ALA A 100 -2.633 1.760 -1.606 1.00 1.40 H new ATOM 0 HB2 ALA A 100 -3.366 3.260 -2.224 1.00 1.40 H new ATOM 0 HB3 ALA A 100 -4.236 2.272 -1.027 1.00 1.40 H new ATOM 1617 N THR A 101 -3.556 -0.869 -2.918 1.00 24.01 N ATOM 1618 CA THR A 101 -3.681 -2.274 -2.545 1.00 73.20 C ATOM 1619 C THR A 101 -2.318 -2.886 -2.234 1.00 43.22 C ATOM 1620 O THR A 101 -1.369 -2.747 -3.006 1.00 4.25 O ATOM 1621 CB THR A 101 -4.344 -3.056 -3.682 1.00 75.11 C ATOM 1622 OG1 THR A 101 -4.315 -4.444 -3.381 1.00 62.23 O ATOM 1623 CG2 THR A 101 -3.595 -2.802 -4.991 1.00 74.44 C ATOM 0 H THR A 101 -2.721 -0.646 -3.460 1.00 24.01 H new ATOM 0 HA THR A 101 -4.297 -2.332 -1.648 1.00 73.20 H new ATOM 0 HB THR A 101 -5.378 -2.727 -3.790 1.00 75.11 H new ATOM 0 HG1 THR A 101 -4.951 -4.636 -2.661 1.00 62.23 H new ATOM 0 HG21 THR A 101 -4.071 -3.361 -5.797 1.00 74.44 H new ATOM 0 HG22 THR A 101 -3.620 -1.737 -5.224 1.00 74.44 H new ATOM 0 HG23 THR A 101 -2.560 -3.126 -4.887 1.00 74.44 H new ATOM 1631 N ARG A 102 -2.242 -3.583 -1.104 1.00 61.03 N ATOM 1632 CA ARG A 102 -1.010 -4.248 -0.685 1.00 5.41 C ATOM 1633 C ARG A 102 -1.274 -5.741 -0.600 1.00 54.23 C ATOM 1634 O ARG A 102 -2.223 -6.157 0.061 1.00 15.34 O ATOM 1635 CB ARG A 102 -0.563 -3.721 0.681 1.00 60.00 C ATOM 1636 CG ARG A 102 0.695 -4.465 1.134 1.00 14.52 C ATOM 1637 CD ARG A 102 1.234 -3.823 2.413 1.00 72.51 C ATOM 1638 NE ARG A 102 2.477 -4.472 2.818 1.00 20.24 N ATOM 1639 CZ ARG A 102 3.642 -4.123 2.282 1.00 30.11 C ATOM 1640 NH1 ARG A 102 3.688 -3.181 1.381 1.00 54.53 N ATOM 1641 NH2 ARG A 102 4.740 -4.721 2.657 1.00 50.21 N ATOM 0 H ARG A 102 -3.023 -3.703 -0.459 1.00 61.03 H new ATOM 0 HA ARG A 102 -0.219 -4.047 -1.407 1.00 5.41 H new ATOM 0 HB2 ARG A 102 -0.363 -2.651 0.621 1.00 60.00 H new ATOM 0 HB3 ARG A 102 -1.360 -3.856 1.412 1.00 60.00 H new ATOM 0 HG2 ARG A 102 0.465 -5.516 1.311 1.00 14.52 H new ATOM 0 HG3 ARG A 102 1.452 -4.432 0.351 1.00 14.52 H new ATOM 0 HD2 ARG A 102 1.407 -2.759 2.250 1.00 72.51 H new ATOM 0 HD3 ARG A 102 0.495 -3.907 3.210 1.00 72.51 H new ATOM 0 HE ARG A 102 2.451 -5.207 3.525 1.00 20.24 H new ATOM 0 HH11 ARG A 102 2.830 -2.713 1.088 1.00 54.53 H new ATOM 0 HH12 ARG A 102 4.582 -2.912 0.969 1.00 54.53 H new ATOM 0 HH21 ARG A 102 4.705 -5.457 3.362 1.00 50.21 H new ATOM 0 HH22 ARG A 102 5.633 -4.452 2.245 1.00 50.21 H new ATOM 1655 N VAL A 103 -0.470 -6.560 -1.279 1.00 61.31 N ATOM 1656 CA VAL A 103 -0.693 -8.005 -1.257 1.00 22.05 C ATOM 1657 C VAL A 103 0.481 -8.730 -0.614 1.00 4.11 C ATOM 1658 O VAL A 103 1.602 -8.694 -1.121 1.00 23.25 O ATOM 1659 CB VAL A 103 -0.893 -8.509 -2.694 1.00 35.21 C ATOM 1660 CG1 VAL A 103 0.346 -8.187 -3.539 1.00 4.22 C ATOM 1661 CG2 VAL A 103 -1.130 -10.023 -2.692 1.00 62.12 C ATOM 0 H VAL A 103 0.326 -6.256 -1.840 1.00 61.31 H new ATOM 0 HA VAL A 103 -1.584 -8.211 -0.664 1.00 22.05 H new ATOM 0 HB VAL A 103 -1.762 -8.010 -3.122 1.00 35.21 H new ATOM 0 HG11 VAL A 103 0.196 -8.548 -4.557 1.00 4.22 H new ATOM 0 HG12 VAL A 103 0.505 -7.109 -3.556 1.00 4.22 H new ATOM 0 HG13 VAL A 103 1.219 -8.675 -3.106 1.00 4.22 H new ATOM 0 HG21 VAL A 103 -1.271 -10.371 -3.715 1.00 62.12 H new ATOM 0 HG22 VAL A 103 -0.268 -10.526 -2.253 1.00 62.12 H new ATOM 0 HG23 VAL A 103 -2.020 -10.251 -2.106 1.00 62.12 H new ATOM 1671 N LYS A 104 0.211 -9.397 0.505 1.00 3.15 N ATOM 1672 CA LYS A 104 1.237 -10.145 1.217 1.00 32.13 C ATOM 1673 C LYS A 104 1.159 -11.610 0.816 1.00 22.11 C ATOM 1674 O LYS A 104 0.210 -12.028 0.153 1.00 10.01 O ATOM 1675 CB LYS A 104 1.034 -10.013 2.727 1.00 14.51 C ATOM 1676 CG LYS A 104 1.074 -8.535 3.122 1.00 2.35 C ATOM 1677 CD LYS A 104 0.942 -8.408 4.640 1.00 64.04 C ATOM 1678 CE LYS A 104 0.784 -6.934 5.018 1.00 0.02 C ATOM 1679 NZ LYS A 104 -0.506 -6.419 4.478 1.00 4.41 N ATOM 0 H LYS A 104 -0.712 -9.433 0.937 1.00 3.15 H new ATOM 0 HA LYS A 104 2.217 -9.745 0.958 1.00 32.13 H new ATOM 0 HB2 LYS A 104 0.079 -10.451 3.016 1.00 14.51 H new ATOM 0 HB3 LYS A 104 1.811 -10.563 3.258 1.00 14.51 H new ATOM 0 HG2 LYS A 104 2.009 -8.084 2.789 1.00 2.35 H new ATOM 0 HG3 LYS A 104 0.266 -7.994 2.630 1.00 2.35 H new ATOM 0 HD2 LYS A 104 0.081 -8.978 4.990 1.00 64.04 H new ATOM 0 HD3 LYS A 104 1.822 -8.827 5.128 1.00 64.04 H new ATOM 0 HE2 LYS A 104 0.808 -6.821 6.102 1.00 0.02 H new ATOM 0 HE3 LYS A 104 1.616 -6.354 4.618 1.00 0.02 H new ATOM 0 HZ1 LYS A 104 -0.815 -5.599 5.039 1.00 4.41 H new ATOM 0 HZ2 LYS A 104 -0.377 -6.131 3.487 1.00 4.41 H new ATOM 0 HZ3 LYS A 104 -1.227 -7.166 4.531 1.00 4.41 H new ATOM 1693 N ASP A 105 2.156 -12.384 1.208 1.00 4.52 N ATOM 1694 CA ASP A 105 2.173 -13.795 0.861 1.00 33.04 C ATOM 1695 C ASP A 105 0.925 -14.497 1.390 1.00 40.01 C ATOM 1696 O ASP A 105 0.789 -14.731 2.592 1.00 25.42 O ATOM 1697 CB ASP A 105 3.421 -14.460 1.447 1.00 54.53 C ATOM 1698 CG ASP A 105 4.676 -13.822 0.860 1.00 72.43 C ATOM 1699 OD1 ASP A 105 4.555 -13.138 -0.143 1.00 4.54 O ATOM 1700 OD2 ASP A 105 5.740 -14.027 1.423 1.00 31.34 O ATOM 0 H ASP A 105 2.954 -12.066 1.759 1.00 4.52 H new ATOM 0 HA ASP A 105 2.189 -13.881 -0.225 1.00 33.04 H new ATOM 0 HB2 ASP A 105 3.423 -14.356 2.532 1.00 54.53 H new ATOM 0 HB3 ASP A 105 3.410 -15.528 1.230 1.00 54.53 H new ATOM 1705 N GLY A 106 0.032 -14.859 0.471 1.00 64.04 N ATOM 1706 CA GLY A 106 -1.192 -15.573 0.829 1.00 22.21 C ATOM 1707 C GLY A 106 -2.350 -14.639 1.180 1.00 71.13 C ATOM 1708 O GLY A 106 -3.460 -15.105 1.438 1.00 62.32 O ATOM 0 H GLY A 106 0.133 -14.670 -0.526 1.00 64.04 H new ATOM 0 HA2 GLY A 106 -1.488 -16.213 -0.002 1.00 22.21 H new ATOM 0 HA3 GLY A 106 -0.990 -16.226 1.678 1.00 22.21 H new ATOM 1712 N ARG A 107 -2.104 -13.327 1.210 1.00 52.25 N ATOM 1713 CA ARG A 107 -3.168 -12.376 1.557 1.00 30.51 C ATOM 1714 C ARG A 107 -3.188 -11.173 0.616 1.00 45.05 C ATOM 1715 O ARG A 107 -2.143 -10.681 0.192 1.00 5.05 O ATOM 1716 CB ARG A 107 -2.974 -11.890 2.994 1.00 72.11 C ATOM 1717 CG ARG A 107 -4.217 -11.118 3.444 1.00 50.40 C ATOM 1718 CD ARG A 107 -4.034 -10.653 4.890 1.00 41.32 C ATOM 1719 NE ARG A 107 -5.263 -10.042 5.382 1.00 31.44 N ATOM 1720 CZ ARG A 107 -6.313 -10.785 5.719 1.00 60.31 C ATOM 1721 NH1 ARG A 107 -6.254 -12.084 5.609 1.00 52.42 N ATOM 1722 NH2 ARG A 107 -7.401 -10.215 6.158 1.00 73.55 N ATOM 0 H ARG A 107 -1.199 -12.904 1.004 1.00 52.25 H new ATOM 0 HA ARG A 107 -4.121 -12.896 1.458 1.00 30.51 H new ATOM 0 HB2 ARG A 107 -2.800 -12.738 3.656 1.00 72.11 H new ATOM 0 HB3 ARG A 107 -2.093 -11.251 3.057 1.00 72.11 H new ATOM 0 HG2 ARG A 107 -4.380 -10.259 2.793 1.00 50.40 H new ATOM 0 HG3 ARG A 107 -5.100 -11.752 3.364 1.00 50.40 H new ATOM 0 HD2 ARG A 107 -3.763 -11.500 5.520 1.00 41.32 H new ATOM 0 HD3 ARG A 107 -3.215 -9.937 4.948 1.00 41.32 H new ATOM 0 HE ARG A 107 -5.318 -9.027 5.469 1.00 31.44 H new ATOM 0 HH11 ARG A 107 -5.403 -12.529 5.265 1.00 52.42 H new ATOM 0 HH12 ARG A 107 -7.059 -12.655 5.867 1.00 52.42 H new ATOM 0 HH21 ARG A 107 -7.446 -9.200 6.243 1.00 73.55 H new ATOM 0 HH22 ARG A 107 -8.207 -10.785 6.417 1.00 73.55 H new ATOM 1736 N THR A 108 -4.399 -10.696 0.318 1.00 4.34 N ATOM 1737 CA THR A 108 -4.594 -9.534 -0.553 1.00 63.42 C ATOM 1738 C THR A 108 -5.350 -8.451 0.209 1.00 41.25 C ATOM 1739 O THR A 108 -6.149 -8.756 1.093 1.00 23.14 O ATOM 1740 CB THR A 108 -5.389 -9.937 -1.798 1.00 61.41 C ATOM 1741 OG1 THR A 108 -4.686 -10.955 -2.497 1.00 42.34 O ATOM 1742 CG2 THR A 108 -5.569 -8.721 -2.707 1.00 65.12 C ATOM 0 H THR A 108 -5.266 -11.101 0.671 1.00 4.34 H new ATOM 0 HA THR A 108 -3.621 -9.152 -0.863 1.00 63.42 H new ATOM 0 HB THR A 108 -6.368 -10.311 -1.499 1.00 61.41 H new ATOM 0 HG1 THR A 108 -5.194 -11.216 -3.293 1.00 42.34 H new ATOM 0 HG21 THR A 108 -6.135 -9.009 -3.593 1.00 65.12 H new ATOM 0 HG22 THR A 108 -6.109 -7.942 -2.169 1.00 65.12 H new ATOM 0 HG23 THR A 108 -4.592 -8.344 -3.008 1.00 65.12 H new ATOM 1750 N LEU A 109 -5.085 -7.185 -0.112 1.00 43.23 N ATOM 1751 CA LEU A 109 -5.748 -6.088 0.589 1.00 64.43 C ATOM 1752 C LEU A 109 -5.995 -4.900 -0.314 1.00 14.32 C ATOM 1753 O LEU A 109 -5.202 -4.593 -1.203 1.00 21.44 O ATOM 1754 CB LEU A 109 -4.871 -5.634 1.751 1.00 3.33 C ATOM 1755 CG LEU A 109 -5.460 -4.410 2.469 1.00 55.33 C ATOM 1756 CD1 LEU A 109 -6.777 -4.788 3.156 1.00 64.01 C ATOM 1757 CD2 LEU A 109 -4.456 -3.930 3.525 1.00 13.03 C ATOM 0 H LEU A 109 -4.429 -6.898 -0.838 1.00 43.23 H new ATOM 0 HA LEU A 109 -6.712 -6.458 0.939 1.00 64.43 H new ATOM 0 HB2 LEU A 109 -4.758 -6.452 2.462 1.00 3.33 H new ATOM 0 HB3 LEU A 109 -3.874 -5.393 1.381 1.00 3.33 H new ATOM 0 HG LEU A 109 -5.653 -3.619 1.744 1.00 55.33 H new ATOM 0 HD11 LEU A 109 -7.187 -3.914 3.662 1.00 64.01 H new ATOM 0 HD12 LEU A 109 -7.488 -5.142 2.410 1.00 64.01 H new ATOM 0 HD13 LEU A 109 -6.594 -5.577 3.885 1.00 64.01 H new ATOM 0 HD21 LEU A 109 -4.861 -3.061 4.043 1.00 13.03 H new ATOM 0 HD22 LEU A 109 -4.274 -4.729 4.244 1.00 13.03 H new ATOM 0 HD23 LEU A 109 -3.519 -3.659 3.039 1.00 13.03 H new ATOM 1769 N HIS A 110 -7.091 -4.211 -0.032 1.00 4.52 N ATOM 1770 CA HIS A 110 -7.444 -3.016 -0.770 1.00 62.11 C ATOM 1771 C HIS A 110 -7.815 -1.909 0.210 1.00 21.10 C ATOM 1772 O HIS A 110 -8.369 -2.184 1.274 1.00 1.34 O ATOM 1773 CB HIS A 110 -8.610 -3.294 -1.720 1.00 64.31 C ATOM 1774 CG HIS A 110 -8.336 -4.553 -2.497 1.00 54.24 C ATOM 1775 ND1 HIS A 110 -7.366 -4.616 -3.485 1.00 13.34 N ATOM 1776 CD2 HIS A 110 -8.898 -5.804 -2.443 1.00 63.31 C ATOM 1777 CE1 HIS A 110 -7.373 -5.867 -3.981 1.00 5.01 C ATOM 1778 NE2 HIS A 110 -8.289 -6.632 -3.381 1.00 62.11 N ATOM 0 H HIS A 110 -7.750 -4.463 0.705 1.00 4.52 H new ATOM 0 HA HIS A 110 -6.588 -2.701 -1.367 1.00 62.11 H new ATOM 0 HB2 HIS A 110 -9.536 -3.397 -1.155 1.00 64.31 H new ATOM 0 HB3 HIS A 110 -8.745 -2.455 -2.403 1.00 64.31 H new ATOM 0 HD2 HIS A 110 -9.692 -6.101 -1.774 1.00 63.31 H new ATOM 0 HE1 HIS A 110 -6.718 -6.210 -4.768 1.00 5.01 H new ATOM 0 HE2 HIS A 110 -8.497 -7.612 -3.570 1.00 62.11 H new ATOM 1786 N MET A 111 -7.513 -0.657 -0.135 1.00 60.55 N ATOM 1787 CA MET A 111 -7.833 0.458 0.751 1.00 21.20 C ATOM 1788 C MET A 111 -7.910 1.770 -0.028 1.00 44.45 C ATOM 1789 O MET A 111 -7.254 1.928 -1.058 1.00 23.21 O ATOM 1790 CB MET A 111 -6.779 0.569 1.858 1.00 70.05 C ATOM 1791 CG MET A 111 -5.389 0.303 1.279 1.00 54.42 C ATOM 1792 SD MET A 111 -4.133 0.849 2.466 1.00 4.41 S ATOM 1793 CE MET A 111 -3.614 2.353 1.604 1.00 62.20 C ATOM 0 H MET A 111 -7.055 -0.394 -1.007 1.00 60.55 H new ATOM 0 HA MET A 111 -8.808 0.268 1.200 1.00 21.20 H new ATOM 0 HB2 MET A 111 -6.812 1.562 2.306 1.00 70.05 H new ATOM 0 HB3 MET A 111 -6.995 -0.146 2.652 1.00 70.05 H new ATOM 0 HG2 MET A 111 -5.268 -0.759 1.066 1.00 54.42 H new ATOM 0 HG3 MET A 111 -5.268 0.833 0.334 1.00 54.42 H new ATOM 0 HE1 MET A 111 -3.024 2.974 2.278 1.00 62.20 H new ATOM 0 HE2 MET A 111 -3.011 2.085 0.737 1.00 62.20 H new ATOM 0 HE3 MET A 111 -4.494 2.907 1.277 1.00 62.20 H new ATOM 1803 N MET A 112 -8.696 2.718 0.483 1.00 1.24 N ATOM 1804 CA MET A 112 -8.825 4.024 -0.167 1.00 41.25 C ATOM 1805 C MET A 112 -7.958 5.037 0.571 1.00 62.23 C ATOM 1806 O MET A 112 -7.897 5.029 1.799 1.00 24.34 O ATOM 1807 CB MET A 112 -10.279 4.546 -0.147 1.00 1.31 C ATOM 1808 CG MET A 112 -11.298 3.401 -0.156 1.00 72.30 C ATOM 1809 SD MET A 112 -11.518 2.799 -1.851 1.00 21.22 S ATOM 1810 CE MET A 112 -12.309 4.279 -2.543 1.00 60.13 C ATOM 0 H MET A 112 -9.247 2.610 1.334 1.00 1.24 H new ATOM 0 HA MET A 112 -8.512 3.902 -1.204 1.00 41.25 H new ATOM 0 HB2 MET A 112 -10.432 5.161 0.740 1.00 1.31 H new ATOM 0 HB3 MET A 112 -10.446 5.188 -1.012 1.00 1.31 H new ATOM 0 HG2 MET A 112 -10.955 2.590 0.487 1.00 72.30 H new ATOM 0 HG3 MET A 112 -12.251 3.745 0.245 1.00 72.30 H new ATOM 0 HE1 MET A 112 -13.175 3.985 -3.136 1.00 60.13 H new ATOM 0 HE2 MET A 112 -12.629 4.933 -1.732 1.00 60.13 H new ATOM 0 HE3 MET A 112 -11.598 4.809 -3.177 1.00 60.13 H new ATOM 1820 N ARG A 113 -7.297 5.911 -0.178 1.00 24.51 N ATOM 1821 CA ARG A 113 -6.445 6.927 0.430 1.00 61.01 C ATOM 1822 C ARG A 113 -6.829 8.303 -0.096 1.00 42.32 C ATOM 1823 O ARG A 113 -6.942 8.508 -1.304 1.00 50.01 O ATOM 1824 CB ARG A 113 -4.979 6.623 0.097 1.00 13.15 C ATOM 1825 CG ARG A 113 -4.071 7.802 0.512 1.00 5.41 C ATOM 1826 CD ARG A 113 -3.722 8.674 -0.702 1.00 24.14 C ATOM 1827 NE ARG A 113 -2.583 9.527 -0.390 1.00 43.44 N ATOM 1828 CZ ARG A 113 -1.960 10.218 -1.338 1.00 42.21 C ATOM 1829 NH1 ARG A 113 -2.375 10.149 -2.573 1.00 24.31 N ATOM 1830 NH2 ARG A 113 -0.935 10.967 -1.037 1.00 10.22 N ATOM 0 H ARG A 113 -7.333 5.938 -1.197 1.00 24.51 H new ATOM 0 HA ARG A 113 -6.577 6.917 1.512 1.00 61.01 H new ATOM 0 HB2 ARG A 113 -4.664 5.716 0.612 1.00 13.15 H new ATOM 0 HB3 ARG A 113 -4.875 6.435 -0.972 1.00 13.15 H new ATOM 0 HG2 ARG A 113 -4.574 8.406 1.267 1.00 5.41 H new ATOM 0 HG3 ARG A 113 -3.157 7.420 0.966 1.00 5.41 H new ATOM 0 HD2 ARG A 113 -3.490 8.042 -1.560 1.00 24.14 H new ATOM 0 HD3 ARG A 113 -4.580 9.286 -0.980 1.00 24.14 H new ATOM 0 HE ARG A 113 -2.258 9.595 0.574 1.00 43.44 H new ATOM 0 HH11 ARG A 113 -3.177 9.565 -2.810 1.00 24.31 H new ATOM 0 HH12 ARG A 113 -1.897 10.679 -3.302 1.00 24.31 H new ATOM 0 HH21 ARG A 113 -0.610 11.023 -0.072 1.00 10.22 H new ATOM 0 HH22 ARG A 113 -0.458 11.497 -1.767 1.00 10.22 H new ATOM 1844 N LEU A 114 -7.044 9.240 0.825 1.00 44.05 N ATOM 1845 CA LEU A 114 -7.435 10.600 0.463 1.00 33.01 C ATOM 1846 C LEU A 114 -6.353 11.581 0.880 1.00 22.40 C ATOM 1847 O LEU A 114 -5.918 11.599 2.046 1.00 63.31 O ATOM 1848 CB LEU A 114 -8.750 10.949 1.161 1.00 60.50 C ATOM 1849 CG LEU A 114 -9.092 12.435 0.972 1.00 65.24 C ATOM 1850 CD1 LEU A 114 -9.152 12.767 -0.523 1.00 31.23 C ATOM 1851 CD2 LEU A 114 -10.453 12.729 1.617 1.00 32.04 C ATOM 0 H LEU A 114 -6.954 9.082 1.829 1.00 44.05 H new ATOM 0 HA LEU A 114 -7.568 10.663 -0.617 1.00 33.01 H new ATOM 0 HB2 LEU A 114 -9.554 10.332 0.760 1.00 60.50 H new ATOM 0 HB3 LEU A 114 -8.674 10.721 2.224 1.00 60.50 H new ATOM 0 HG LEU A 114 -8.323 13.046 1.444 1.00 65.24 H new ATOM 0 HD11 LEU A 114 -9.395 13.822 -0.652 1.00 31.23 H new ATOM 0 HD12 LEU A 114 -8.185 12.559 -0.981 1.00 31.23 H new ATOM 0 HD13 LEU A 114 -9.919 12.157 -1.001 1.00 31.23 H new ATOM 0 HD21 LEU A 114 -10.698 13.783 1.485 1.00 32.04 H new ATOM 0 HD22 LEU A 114 -11.220 12.116 1.144 1.00 32.04 H new ATOM 0 HD23 LEU A 114 -10.409 12.498 2.681 1.00 32.04 H new ATOM 1863 N TYR A 115 -5.916 12.382 -0.092 1.00 44.23 N ATOM 1864 CA TYR A 115 -4.867 13.365 0.131 1.00 40.14 C ATOM 1865 C TYR A 115 -5.351 14.778 -0.214 1.00 22.21 C ATOM 1866 O TYR A 115 -6.303 14.957 -0.976 1.00 31.11 O ATOM 1867 CB TYR A 115 -3.637 12.979 -0.727 1.00 72.13 C ATOM 1868 CG TYR A 115 -3.429 13.968 -1.858 1.00 45.11 C ATOM 1869 CD1 TYR A 115 -4.444 14.168 -2.801 1.00 0.14 C ATOM 1870 CD2 TYR A 115 -2.228 14.680 -1.965 1.00 5.33 C ATOM 1871 CE1 TYR A 115 -4.259 15.077 -3.848 1.00 24.35 C ATOM 1872 CE2 TYR A 115 -2.044 15.590 -3.013 1.00 60.25 C ATOM 1873 CZ TYR A 115 -3.061 15.789 -3.954 1.00 33.12 C ATOM 1874 OH TYR A 115 -2.880 16.685 -4.987 1.00 75.14 O ATOM 0 H TYR A 115 -6.278 12.365 -1.046 1.00 44.23 H new ATOM 0 HA TYR A 115 -4.593 13.369 1.186 1.00 40.14 H new ATOM 0 HB2 TYR A 115 -2.747 12.948 -0.099 1.00 72.13 H new ATOM 0 HB3 TYR A 115 -3.774 11.978 -1.136 1.00 72.13 H new ATOM 0 HD1 TYR A 115 -5.371 13.620 -2.720 1.00 0.14 H new ATOM 0 HD2 TYR A 115 -1.443 14.527 -1.239 1.00 5.33 H new ATOM 0 HE1 TYR A 115 -5.043 15.229 -4.575 1.00 24.35 H new ATOM 0 HE2 TYR A 115 -1.117 16.138 -3.095 1.00 60.25 H new ATOM 0 HH TYR A 115 -3.334 17.527 -4.773 1.00 75.14 H new ATOM 1884 N SER A 116 -4.659 15.771 0.340 1.00 70.41 N ATOM 1885 CA SER A 116 -4.976 17.178 0.093 1.00 12.03 C ATOM 1886 C SER A 116 -3.768 17.874 -0.521 1.00 55.25 C ATOM 1887 O SER A 116 -2.631 17.509 -0.233 1.00 2.11 O ATOM 1888 CB SER A 116 -5.337 17.875 1.406 1.00 21.23 C ATOM 1889 OG SER A 116 -5.554 19.255 1.152 1.00 45.04 O ATOM 0 H SER A 116 -3.869 15.626 0.968 1.00 70.41 H new ATOM 0 HA SER A 116 -5.823 17.232 -0.591 1.00 12.03 H new ATOM 0 HB2 SER A 116 -6.232 17.426 1.837 1.00 21.23 H new ATOM 0 HB3 SER A 116 -4.535 17.747 2.133 1.00 21.23 H new ATOM 0 HG SER A 116 -5.372 19.770 1.966 1.00 45.04 H new ATOM 1895 N ARG A 117 -4.003 18.879 -1.359 1.00 43.54 N ATOM 1896 CA ARG A 117 -2.900 19.605 -1.978 1.00 25.41 C ATOM 1897 C ARG A 117 -2.370 20.656 -1.012 1.00 54.24 C ATOM 1898 O ARG A 117 -1.215 21.076 -1.100 1.00 55.14 O ATOM 1899 CB ARG A 117 -3.382 20.289 -3.260 1.00 32.42 C ATOM 1900 CG ARG A 117 -2.206 20.971 -3.974 1.00 15.50 C ATOM 1901 CD ARG A 117 -1.167 19.926 -4.408 1.00 50.14 C ATOM 1902 NE ARG A 117 -0.174 19.737 -3.357 1.00 63.53 N ATOM 1903 CZ ARG A 117 0.708 20.687 -3.066 1.00 63.54 C ATOM 1904 NH1 ARG A 117 0.695 21.813 -3.726 1.00 72.23 N ATOM 1905 NH2 ARG A 117 1.586 20.496 -2.120 1.00 71.13 N ATOM 0 H ARG A 117 -4.933 19.206 -1.622 1.00 43.54 H new ATOM 0 HA ARG A 117 -2.104 18.901 -2.222 1.00 25.41 H new ATOM 0 HB2 ARG A 117 -3.842 19.555 -3.922 1.00 32.42 H new ATOM 0 HB3 ARG A 117 -4.148 21.026 -3.021 1.00 32.42 H new ATOM 0 HG2 ARG A 117 -2.568 21.517 -4.845 1.00 15.50 H new ATOM 0 HG3 ARG A 117 -1.742 21.701 -3.310 1.00 15.50 H new ATOM 0 HD2 ARG A 117 -1.662 18.979 -4.626 1.00 50.14 H new ATOM 0 HD3 ARG A 117 -0.678 20.249 -5.327 1.00 50.14 H new ATOM 0 HE ARG A 117 -0.156 18.860 -2.836 1.00 63.53 H new ATOM 0 HH11 ARG A 117 0.008 21.963 -4.465 1.00 72.23 H new ATOM 0 HH12 ARG A 117 1.372 22.543 -3.503 1.00 72.23 H new ATOM 0 HH21 ARG A 117 1.596 19.617 -1.603 1.00 71.13 H new ATOM 0 HH22 ARG A 117 2.263 21.226 -1.897 1.00 71.13 H new ATOM 1919 N SER A 118 -3.232 21.074 -0.092 1.00 24.42 N ATOM 1920 CA SER A 118 -2.872 22.081 0.903 1.00 34.12 C ATOM 1921 C SER A 118 -3.100 21.533 2.316 1.00 61.40 C ATOM 1922 O SER A 118 -4.043 20.776 2.543 1.00 0.21 O ATOM 1923 CB SER A 118 -3.733 23.326 0.690 1.00 11.54 C ATOM 1924 OG SER A 118 -3.376 24.323 1.638 1.00 62.22 O ATOM 0 H SER A 118 -4.189 20.730 -0.013 1.00 24.42 H new ATOM 0 HA SER A 118 -1.818 22.337 0.791 1.00 34.12 H new ATOM 0 HB2 SER A 118 -3.595 23.707 -0.322 1.00 11.54 H new ATOM 0 HB3 SER A 118 -4.788 23.073 0.794 1.00 11.54 H new ATOM 0 HG SER A 118 -3.745 24.087 2.515 1.00 62.22 H new ATOM 1930 N PRO A 119 -2.265 21.893 3.262 1.00 14.32 N ATOM 1931 CA PRO A 119 -2.394 21.420 4.669 1.00 30.02 C ATOM 1932 C PRO A 119 -3.850 21.288 5.116 1.00 14.44 C ATOM 1933 O PRO A 119 -4.160 20.519 6.026 1.00 34.41 O ATOM 1934 CB PRO A 119 -1.669 22.508 5.460 1.00 55.11 C ATOM 1935 CG PRO A 119 -0.601 23.012 4.538 1.00 1.31 C ATOM 1936 CD PRO A 119 -1.102 22.786 3.105 1.00 1.25 C ATOM 0 HA PRO A 119 -1.980 20.422 4.811 1.00 30.02 H new ATOM 0 HB2 PRO A 119 -2.351 23.308 5.748 1.00 55.11 H new ATOM 0 HB3 PRO A 119 -1.241 22.108 6.379 1.00 55.11 H new ATOM 0 HG2 PRO A 119 -0.405 24.069 4.716 1.00 1.31 H new ATOM 0 HG3 PRO A 119 0.336 22.482 4.707 1.00 1.31 H new ATOM 0 HD2 PRO A 119 -1.383 23.725 2.629 1.00 1.25 H new ATOM 0 HD3 PRO A 119 -0.332 22.331 2.482 1.00 1.25 H new ATOM 1944 N GLU A 120 -4.740 22.042 4.473 1.00 24.15 N ATOM 1945 CA GLU A 120 -6.157 22.002 4.813 1.00 14.33 C ATOM 1946 C GLU A 120 -6.890 21.012 3.921 1.00 33.04 C ATOM 1947 O GLU A 120 -6.357 20.554 2.912 1.00 2.01 O ATOM 1948 CB GLU A 120 -6.772 23.390 4.638 1.00 72.33 C ATOM 1949 CG GLU A 120 -6.019 24.397 5.510 1.00 42.31 C ATOM 1950 CD GLU A 120 -4.654 24.700 4.901 1.00 41.13 C ATOM 1951 OE1 GLU A 120 -4.453 24.357 3.747 1.00 41.25 O ATOM 1952 OE2 GLU A 120 -3.830 25.269 5.597 1.00 32.14 O ATOM 0 H GLU A 120 -4.504 22.685 3.717 1.00 24.15 H new ATOM 0 HA GLU A 120 -6.254 21.685 5.851 1.00 14.33 H new ATOM 0 HB2 GLU A 120 -6.723 23.691 3.592 1.00 72.33 H new ATOM 0 HB3 GLU A 120 -7.826 23.370 4.915 1.00 72.33 H new ATOM 0 HG2 GLU A 120 -6.598 25.316 5.600 1.00 42.31 H new ATOM 0 HG3 GLU A 120 -5.896 23.998 6.517 1.00 42.31 H new ATOM 1959 N VAL A 121 -8.118 20.690 4.302 1.00 32.41 N ATOM 1960 CA VAL A 121 -8.941 19.751 3.538 1.00 31.23 C ATOM 1961 C VAL A 121 -10.191 20.446 3.007 1.00 11.20 C ATOM 1962 O VAL A 121 -10.931 21.075 3.763 1.00 54.50 O ATOM 1963 CB VAL A 121 -9.351 18.576 4.428 1.00 24.01 C ATOM 1964 CG1 VAL A 121 -9.940 17.460 3.563 1.00 44.14 C ATOM 1965 CG2 VAL A 121 -8.121 18.050 5.171 1.00 23.14 C ATOM 0 H VAL A 121 -8.571 21.063 5.136 1.00 32.41 H new ATOM 0 HA VAL A 121 -8.355 19.384 2.695 1.00 31.23 H new ATOM 0 HB VAL A 121 -10.099 18.908 5.148 1.00 24.01 H new ATOM 0 HG11 VAL A 121 -10.232 16.623 4.198 1.00 44.14 H new ATOM 0 HG12 VAL A 121 -10.815 17.835 3.032 1.00 44.14 H new ATOM 0 HG13 VAL A 121 -9.194 17.126 2.842 1.00 44.14 H new ATOM 0 HG21 VAL A 121 -8.410 17.213 5.806 1.00 23.14 H new ATOM 0 HG22 VAL A 121 -7.375 17.718 4.449 1.00 23.14 H new ATOM 0 HG23 VAL A 121 -7.701 18.845 5.787 1.00 23.14 H new ATOM 1975 N SER A 122 -10.421 20.327 1.703 1.00 22.43 N ATOM 1976 CA SER A 122 -11.585 20.946 1.082 1.00 34.13 C ATOM 1977 C SER A 122 -12.839 20.097 1.333 1.00 33.32 C ATOM 1978 O SER A 122 -12.885 18.936 0.929 1.00 72.35 O ATOM 1979 CB SER A 122 -11.357 21.075 -0.425 1.00 1.24 C ATOM 1980 OG SER A 122 -12.355 21.922 -0.980 1.00 2.34 O ATOM 0 H SER A 122 -9.820 19.811 1.060 1.00 22.43 H new ATOM 0 HA SER A 122 -11.730 21.934 1.519 1.00 34.13 H new ATOM 0 HB2 SER A 122 -10.366 21.485 -0.621 1.00 1.24 H new ATOM 0 HB3 SER A 122 -11.395 20.093 -0.896 1.00 1.24 H new ATOM 0 HG SER A 122 -12.211 22.008 -1.945 1.00 2.34 H new ATOM 1986 N PRO A 123 -13.852 20.633 1.983 1.00 54.42 N ATOM 1987 CA PRO A 123 -15.103 19.869 2.264 1.00 11.10 C ATOM 1988 C PRO A 123 -15.554 19.036 1.064 1.00 22.23 C ATOM 1989 O PRO A 123 -16.186 17.993 1.223 1.00 75.20 O ATOM 1990 CB PRO A 123 -16.120 20.964 2.591 1.00 22.35 C ATOM 1991 CG PRO A 123 -15.312 22.072 3.185 1.00 22.41 C ATOM 1992 CD PRO A 123 -13.930 22.007 2.521 1.00 4.40 C ATOM 0 HA PRO A 123 -14.974 19.145 3.069 1.00 11.10 H new ATOM 0 HB2 PRO A 123 -16.647 21.295 1.696 1.00 22.35 H new ATOM 0 HB3 PRO A 123 -16.875 20.606 3.291 1.00 22.35 H new ATOM 0 HG2 PRO A 123 -15.785 23.037 3.004 1.00 22.41 H new ATOM 0 HG3 PRO A 123 -15.229 21.956 4.266 1.00 22.41 H new ATOM 0 HD2 PRO A 123 -13.833 22.751 1.730 1.00 4.40 H new ATOM 0 HD3 PRO A 123 -13.133 22.199 3.239 1.00 4.40 H new ATOM 2000 N ALA A 124 -15.222 19.506 -0.135 1.00 61.43 N ATOM 2001 CA ALA A 124 -15.598 18.795 -1.352 1.00 54.43 C ATOM 2002 C ALA A 124 -14.757 17.533 -1.517 1.00 24.52 C ATOM 2003 O ALA A 124 -15.234 16.520 -2.028 1.00 33.51 O ATOM 2004 CB ALA A 124 -15.404 19.704 -2.569 1.00 61.51 C ATOM 0 H ALA A 124 -14.698 20.368 -0.289 1.00 61.43 H new ATOM 0 HA ALA A 124 -16.647 18.510 -1.275 1.00 54.43 H new ATOM 0 HB1 ALA A 124 -15.687 19.166 -3.474 1.00 61.51 H new ATOM 0 HB2 ALA A 124 -16.029 20.591 -2.464 1.00 61.51 H new ATOM 0 HB3 ALA A 124 -14.358 20.003 -2.637 1.00 61.51 H new ATOM 2010 N ALA A 125 -13.505 17.604 -1.081 1.00 63.15 N ATOM 2011 CA ALA A 125 -12.601 16.463 -1.182 1.00 32.45 C ATOM 2012 C ALA A 125 -13.100 15.307 -0.323 1.00 51.42 C ATOM 2013 O ALA A 125 -13.023 14.145 -0.717 1.00 53.31 O ATOM 2014 CB ALA A 125 -11.201 16.868 -0.723 1.00 71.13 C ATOM 0 H ALA A 125 -13.093 18.435 -0.656 1.00 63.15 H new ATOM 0 HA ALA A 125 -12.567 16.141 -2.223 1.00 32.45 H new ATOM 0 HB1 ALA A 125 -10.531 16.012 -0.801 1.00 71.13 H new ATOM 0 HB2 ALA A 125 -10.831 17.677 -1.353 1.00 71.13 H new ATOM 0 HB3 ALA A 125 -11.241 17.205 0.313 1.00 71.13 H new ATOM 2020 N THR A 126 -13.620 15.641 0.850 1.00 42.04 N ATOM 2021 CA THR A 126 -14.146 14.630 1.758 1.00 3.13 C ATOM 2022 C THR A 126 -15.494 14.107 1.257 1.00 51.41 C ATOM 2023 O THR A 126 -15.849 12.952 1.491 1.00 54.21 O ATOM 2024 CB THR A 126 -14.281 15.200 3.180 1.00 62.31 C ATOM 2025 OG1 THR A 126 -13.285 16.192 3.383 1.00 4.54 O ATOM 2026 CG2 THR A 126 -14.106 14.081 4.220 1.00 2.32 C ATOM 0 H THR A 126 -13.689 16.599 1.194 1.00 42.04 H new ATOM 0 HA THR A 126 -13.445 13.796 1.788 1.00 3.13 H new ATOM 0 HB THR A 126 -15.272 15.639 3.296 1.00 62.31 H new ATOM 0 HG1 THR A 126 -13.369 16.559 4.288 1.00 4.54 H new ATOM 0 HG21 THR A 126 -14.204 14.497 5.223 1.00 2.32 H new ATOM 0 HG22 THR A 126 -14.871 13.319 4.067 1.00 2.32 H new ATOM 0 HG23 THR A 126 -13.119 13.632 4.108 1.00 2.32 H new ATOM 2034 N ALA A 127 -16.266 14.965 0.592 1.00 65.22 N ATOM 2035 CA ALA A 127 -17.579 14.569 0.095 1.00 34.13 C ATOM 2036 C ALA A 127 -17.483 13.688 -1.148 1.00 11.24 C ATOM 2037 O ALA A 127 -18.110 12.633 -1.212 1.00 55.12 O ATOM 2038 CB ALA A 127 -18.380 15.815 -0.242 1.00 60.02 C ATOM 0 H ALA A 127 -16.007 15.930 0.387 1.00 65.22 H new ATOM 0 HA ALA A 127 -18.069 13.990 0.878 1.00 34.13 H new ATOM 0 HB1 ALA A 127 -19.363 15.526 -0.614 1.00 60.02 H new ATOM 0 HB2 ALA A 127 -18.496 16.426 0.653 1.00 60.02 H new ATOM 0 HB3 ALA A 127 -17.856 16.388 -1.007 1.00 60.02 H new ATOM 2044 N ILE A 128 -16.681 14.101 -2.129 1.00 55.13 N ATOM 2045 CA ILE A 128 -16.519 13.299 -3.326 1.00 51.22 C ATOM 2046 C ILE A 128 -16.037 11.927 -2.881 1.00 20.04 C ATOM 2047 O ILE A 128 -16.472 10.886 -3.373 1.00 2.22 O ATOM 2048 CB ILE A 128 -15.513 13.990 -4.263 1.00 23.31 C ATOM 2049 CG1 ILE A 128 -15.781 13.586 -5.713 1.00 74.21 C ATOM 2050 CG2 ILE A 128 -14.067 13.636 -3.889 1.00 20.33 C ATOM 2051 CD1 ILE A 128 -15.743 12.062 -5.863 1.00 35.30 C ATOM 0 H ILE A 128 -16.146 14.969 -2.115 1.00 55.13 H new ATOM 0 HA ILE A 128 -17.452 13.190 -3.879 1.00 51.22 H new ATOM 0 HB ILE A 128 -15.642 15.067 -4.154 1.00 23.31 H new ATOM 0 HG12 ILE A 128 -16.754 13.964 -6.028 1.00 74.21 H new ATOM 0 HG13 ILE A 128 -15.036 14.040 -6.366 1.00 74.21 H new ATOM 0 HG21 ILE A 128 -13.381 14.140 -4.570 1.00 20.33 H new ATOM 0 HG22 ILE A 128 -13.866 13.958 -2.867 1.00 20.33 H new ATOM 0 HG23 ILE A 128 -13.925 12.558 -3.964 1.00 20.33 H new ATOM 0 HD11 ILE A 128 -15.936 11.794 -6.902 1.00 35.30 H new ATOM 0 HD12 ILE A 128 -14.761 11.692 -5.569 1.00 35.30 H new ATOM 0 HD13 ILE A 128 -16.505 11.614 -5.225 1.00 35.30 H new ATOM 2063 N PHE A 129 -15.144 11.976 -1.910 1.00 13.41 N ATOM 2064 CA PHE A 129 -14.582 10.778 -1.322 1.00 54.25 C ATOM 2065 C PHE A 129 -15.696 9.811 -0.926 1.00 74.13 C ATOM 2066 O PHE A 129 -15.588 8.601 -1.129 1.00 74.52 O ATOM 2067 CB PHE A 129 -13.788 11.140 -0.081 1.00 73.20 C ATOM 2068 CG PHE A 129 -13.188 9.879 0.478 1.00 44.02 C ATOM 2069 CD1 PHE A 129 -13.930 9.088 1.360 1.00 2.04 C ATOM 2070 CD2 PHE A 129 -11.901 9.493 0.101 1.00 32.52 C ATOM 2071 CE1 PHE A 129 -13.380 7.909 1.870 1.00 3.25 C ATOM 2072 CE2 PHE A 129 -11.348 8.314 0.612 1.00 60.31 C ATOM 2073 CZ PHE A 129 -12.089 7.523 1.498 1.00 71.35 C ATOM 0 H PHE A 129 -14.790 12.845 -1.509 1.00 13.41 H new ATOM 0 HA PHE A 129 -13.931 10.304 -2.057 1.00 54.25 H new ATOM 0 HB2 PHE A 129 -13.005 11.857 -0.327 1.00 73.20 H new ATOM 0 HB3 PHE A 129 -14.434 11.614 0.658 1.00 73.20 H new ATOM 0 HD1 PHE A 129 -14.927 9.388 1.647 1.00 2.04 H new ATOM 0 HD2 PHE A 129 -11.332 10.104 -0.585 1.00 32.52 H new ATOM 0 HE1 PHE A 129 -13.952 7.296 2.551 1.00 3.25 H new ATOM 0 HE2 PHE A 129 -10.351 8.015 0.324 1.00 60.31 H new ATOM 0 HZ PHE A 129 -11.663 6.613 1.895 1.00 71.35 H new ATOM 2083 N ARG A 130 -16.759 10.361 -0.342 1.00 22.32 N ATOM 2084 CA ARG A 130 -17.893 9.555 0.106 1.00 74.31 C ATOM 2085 C ARG A 130 -18.687 8.977 -1.068 1.00 62.24 C ATOM 2086 O ARG A 130 -19.150 7.838 -1.006 1.00 75.33 O ATOM 2087 CB ARG A 130 -18.819 10.413 0.980 1.00 71.01 C ATOM 2088 CG ARG A 130 -20.111 9.650 1.289 1.00 0.54 C ATOM 2089 CD ARG A 130 -20.873 10.365 2.406 1.00 74.22 C ATOM 2090 NE ARG A 130 -20.023 10.518 3.583 1.00 34.41 N ATOM 2091 CZ ARG A 130 -19.889 9.535 4.468 1.00 42.40 C ATOM 2092 NH1 ARG A 130 -20.523 8.408 4.294 1.00 72.53 N ATOM 2093 NH2 ARG A 130 -19.123 9.698 5.512 1.00 73.43 N ATOM 0 H ARG A 130 -16.859 11.361 -0.168 1.00 22.32 H new ATOM 0 HA ARG A 130 -17.498 8.718 0.682 1.00 74.31 H new ATOM 0 HB2 ARG A 130 -18.313 10.677 1.909 1.00 71.01 H new ATOM 0 HB3 ARG A 130 -19.053 11.346 0.468 1.00 71.01 H new ATOM 0 HG2 ARG A 130 -20.731 9.587 0.395 1.00 0.54 H new ATOM 0 HG3 ARG A 130 -19.879 8.628 1.589 1.00 0.54 H new ATOM 0 HD2 ARG A 130 -21.206 11.344 2.060 1.00 74.22 H new ATOM 0 HD3 ARG A 130 -21.767 9.798 2.666 1.00 74.22 H new ATOM 0 HE ARG A 130 -19.523 11.395 3.729 1.00 34.41 H new ATOM 0 HH11 ARG A 130 -21.122 8.281 3.478 1.00 72.53 H new ATOM 0 HH12 ARG A 130 -20.419 7.654 4.974 1.00 72.53 H new ATOM 0 HH21 ARG A 130 -18.628 10.579 5.649 1.00 73.43 H new ATOM 0 HH22 ARG A 130 -19.020 8.944 6.191 1.00 73.43 H new ATOM 2107 N LYS A 131 -18.869 9.768 -2.122 1.00 53.31 N ATOM 2108 CA LYS A 131 -19.644 9.312 -3.276 1.00 0.30 C ATOM 2109 C LYS A 131 -19.164 7.949 -3.770 1.00 22.32 C ATOM 2110 O LYS A 131 -19.935 6.989 -3.799 1.00 55.33 O ATOM 2111 CB LYS A 131 -19.531 10.331 -4.410 1.00 73.30 C ATOM 2112 CG LYS A 131 -20.117 11.670 -3.955 1.00 45.43 C ATOM 2113 CD LYS A 131 -20.115 12.654 -5.126 1.00 3.23 C ATOM 2114 CE LYS A 131 -20.583 14.027 -4.639 1.00 41.33 C ATOM 2115 NZ LYS A 131 -21.965 13.915 -4.092 1.00 70.02 N ATOM 0 H LYS A 131 -18.497 10.714 -2.203 1.00 53.31 H new ATOM 0 HA LYS A 131 -20.684 9.215 -2.963 1.00 0.30 H new ATOM 0 HB2 LYS A 131 -18.487 10.458 -4.696 1.00 73.30 H new ATOM 0 HB3 LYS A 131 -20.062 9.970 -5.291 1.00 73.30 H new ATOM 0 HG2 LYS A 131 -21.133 11.528 -3.588 1.00 45.43 H new ATOM 0 HG3 LYS A 131 -19.532 12.072 -3.128 1.00 45.43 H new ATOM 0 HD2 LYS A 131 -19.114 12.729 -5.551 1.00 3.23 H new ATOM 0 HD3 LYS A 131 -20.771 12.294 -5.918 1.00 3.23 H new ATOM 0 HE2 LYS A 131 -19.906 14.403 -3.872 1.00 41.33 H new ATOM 0 HE3 LYS A 131 -20.562 14.743 -5.461 1.00 41.33 H new ATOM 0 HZ1 LYS A 131 -22.385 14.863 -4.014 1.00 70.02 H new ATOM 0 HZ2 LYS A 131 -22.544 13.331 -4.729 1.00 70.02 H new ATOM 0 HZ3 LYS A 131 -21.931 13.473 -3.151 1.00 70.02 H new ATOM 2129 N LEU A 132 -17.899 7.864 -4.162 1.00 1.15 N ATOM 2130 CA LEU A 132 -17.353 6.604 -4.655 1.00 21.42 C ATOM 2131 C LEU A 132 -17.389 5.543 -3.561 1.00 35.51 C ATOM 2132 O LEU A 132 -17.779 4.397 -3.800 1.00 10.52 O ATOM 2133 CB LEU A 132 -15.912 6.801 -5.152 1.00 63.20 C ATOM 2134 CG LEU A 132 -15.089 7.634 -4.136 1.00 22.31 C ATOM 2135 CD1 LEU A 132 -14.123 6.721 -3.372 1.00 35.34 C ATOM 2136 CD2 LEU A 132 -14.279 8.707 -4.877 1.00 60.02 C ATOM 0 H LEU A 132 -17.238 8.641 -4.149 1.00 1.15 H new ATOM 0 HA LEU A 132 -17.968 6.267 -5.489 1.00 21.42 H new ATOM 0 HB2 LEU A 132 -15.438 5.831 -5.302 1.00 63.20 H new ATOM 0 HB3 LEU A 132 -15.921 7.304 -6.119 1.00 63.20 H new ATOM 0 HG LEU A 132 -15.776 8.109 -3.435 1.00 22.31 H new ATOM 0 HD11 LEU A 132 -13.548 7.314 -2.660 1.00 35.34 H new ATOM 0 HD12 LEU A 132 -14.689 5.959 -2.836 1.00 35.34 H new ATOM 0 HD13 LEU A 132 -13.444 6.240 -4.076 1.00 35.34 H new ATOM 0 HD21 LEU A 132 -13.703 9.289 -4.158 1.00 60.02 H new ATOM 0 HD22 LEU A 132 -13.601 8.228 -5.583 1.00 60.02 H new ATOM 0 HD23 LEU A 132 -14.958 9.367 -5.417 1.00 60.02 H new ATOM 2148 N ALA A 133 -16.992 5.931 -2.357 1.00 22.32 N ATOM 2149 CA ALA A 133 -16.996 4.999 -1.241 1.00 1.31 C ATOM 2150 C ALA A 133 -18.375 4.379 -1.076 1.00 12.12 C ATOM 2151 O ALA A 133 -18.497 3.190 -0.784 1.00 70.21 O ATOM 2152 CB ALA A 133 -16.599 5.714 0.045 1.00 51.15 C ATOM 0 H ALA A 133 -16.668 6.871 -2.131 1.00 22.32 H new ATOM 0 HA ALA A 133 -16.273 4.210 -1.449 1.00 1.31 H new ATOM 0 HB1 ALA A 133 -16.606 5.005 0.873 1.00 51.15 H new ATOM 0 HB2 ALA A 133 -15.599 6.133 -0.065 1.00 51.15 H new ATOM 0 HB3 ALA A 133 -17.308 6.517 0.249 1.00 51.15 H new ATOM 2158 N GLY A 134 -19.417 5.181 -1.284 1.00 74.41 N ATOM 2159 CA GLY A 134 -20.777 4.675 -1.173 1.00 60.30 C ATOM 2160 C GLY A 134 -21.010 3.615 -2.233 1.00 32.05 C ATOM 2161 O GLY A 134 -21.670 2.604 -1.990 1.00 34.25 O ATOM 0 H GLY A 134 -19.345 6.169 -1.527 1.00 74.41 H new ATOM 0 HA2 GLY A 134 -20.940 4.254 -0.181 1.00 60.30 H new ATOM 0 HA3 GLY A 134 -21.491 5.490 -1.295 1.00 60.30 H new ATOM 2165 N GLU A 135 -20.437 3.847 -3.410 1.00 35.20 N ATOM 2166 CA GLU A 135 -20.560 2.901 -4.506 1.00 1.00 C ATOM 2167 C GLU A 135 -19.896 1.590 -4.112 1.00 44.10 C ATOM 2168 O GLU A 135 -20.137 0.549 -4.724 1.00 3.04 O ATOM 2169 CB GLU A 135 -19.895 3.461 -5.765 1.00 54.22 C ATOM 2170 CG GLU A 135 -20.330 2.640 -6.982 1.00 44.15 C ATOM 2171 CD GLU A 135 -19.624 3.149 -8.233 1.00 12.12 C ATOM 2172 OE1 GLU A 135 -18.798 4.038 -8.104 1.00 52.33 O ATOM 2173 OE2 GLU A 135 -19.919 2.643 -9.303 1.00 21.12 O ATOM 0 H GLU A 135 -19.886 4.678 -3.626 1.00 35.20 H new ATOM 0 HA GLU A 135 -21.616 2.729 -4.716 1.00 1.00 H new ATOM 0 HB2 GLU A 135 -20.172 4.506 -5.901 1.00 54.22 H new ATOM 0 HB3 GLU A 135 -18.810 3.429 -5.661 1.00 54.22 H new ATOM 0 HG2 GLU A 135 -20.094 1.588 -6.824 1.00 44.15 H new ATOM 0 HG3 GLU A 135 -21.410 2.709 -7.110 1.00 44.15 H new ATOM 2180 N ARG A 136 -19.070 1.646 -3.067 1.00 13.41 N ATOM 2181 CA ARG A 136 -18.379 0.458 -2.571 1.00 71.42 C ATOM 2182 C ARG A 136 -19.098 -0.080 -1.332 1.00 10.43 C ATOM 2183 O ARG A 136 -18.608 -0.986 -0.660 1.00 13.02 O ATOM 2184 CB ARG A 136 -16.927 0.809 -2.223 1.00 10.13 C ATOM 2185 CG ARG A 136 -16.062 -0.456 -2.249 1.00 20.53 C ATOM 2186 CD ARG A 136 -14.643 -0.113 -1.794 1.00 21.34 C ATOM 2187 NE ARG A 136 -13.776 -1.279 -1.924 1.00 13.15 N ATOM 2188 CZ ARG A 136 -13.923 -2.338 -1.135 1.00 61.11 C ATOM 2189 NH1 ARG A 136 -14.857 -2.348 -0.224 1.00 43.34 N ATOM 2190 NH2 ARG A 136 -13.133 -3.368 -1.271 1.00 30.20 N ATOM 0 H ARG A 136 -18.864 2.500 -2.549 1.00 13.41 H new ATOM 0 HA ARG A 136 -18.383 -0.309 -3.345 1.00 71.42 H new ATOM 0 HB2 ARG A 136 -16.540 1.539 -2.934 1.00 10.13 H new ATOM 0 HB3 ARG A 136 -16.882 1.270 -1.236 1.00 10.13 H new ATOM 0 HG2 ARG A 136 -16.491 -1.216 -1.596 1.00 20.53 H new ATOM 0 HG3 ARG A 136 -16.041 -0.875 -3.255 1.00 20.53 H new ATOM 0 HD2 ARG A 136 -14.250 0.709 -2.392 1.00 21.34 H new ATOM 0 HD3 ARG A 136 -14.657 0.225 -0.758 1.00 21.34 H new ATOM 0 HE ARG A 136 -13.043 -1.281 -2.634 1.00 13.15 H new ATOM 0 HH11 ARG A 136 -15.474 -1.543 -0.118 1.00 43.34 H new ATOM 0 HH12 ARG A 136 -14.970 -3.161 0.382 1.00 43.34 H new ATOM 0 HH21 ARG A 136 -12.403 -3.360 -1.983 1.00 30.20 H new ATOM 0 HH22 ARG A 136 -13.246 -4.181 -0.665 1.00 30.20 H new ATOM 2204 N ASN A 137 -20.273 0.482 -1.051 1.00 22.44 N ATOM 2205 CA ASN A 137 -21.071 0.048 0.093 1.00 43.04 C ATOM 2206 C ASN A 137 -20.267 0.095 1.385 1.00 65.41 C ATOM 2207 O ASN A 137 -20.406 -0.773 2.246 1.00 70.42 O ATOM 2208 CB ASN A 137 -21.518 -1.377 -0.136 1.00 74.52 C ATOM 2209 CG ASN A 137 -22.251 -1.496 -1.468 1.00 13.34 C ATOM 2210 OD1 ASN A 137 -21.626 -1.744 -2.501 1.00 22.05 O ATOM 2211 ND2 ASN A 137 -23.544 -1.333 -1.508 1.00 54.24 N ATOM 0 H ASN A 137 -20.691 1.235 -1.597 1.00 22.44 H new ATOM 0 HA ASN A 137 -21.923 0.721 0.187 1.00 43.04 H new ATOM 0 HB2 ASN A 137 -20.654 -2.042 -0.128 1.00 74.52 H new ATOM 0 HB3 ASN A 137 -22.172 -1.695 0.676 1.00 74.52 H new ATOM 0 HD21 ASN A 137 -24.041 -1.411 -2.396 1.00 54.24 H new ATOM 0 HD22 ASN A 137 -24.059 -1.128 -0.652 1.00 54.24 H new ATOM 2218 N TYR A 138 -19.435 1.109 1.515 1.00 42.33 N ATOM 2219 CA TYR A 138 -18.612 1.268 2.713 1.00 30.14 C ATOM 2220 C TYR A 138 -19.397 1.983 3.819 1.00 24.33 C ATOM 2221 O TYR A 138 -20.461 2.549 3.567 1.00 2.51 O ATOM 2222 CB TYR A 138 -17.352 2.073 2.364 1.00 0.24 C ATOM 2223 CG TYR A 138 -17.625 3.552 2.539 1.00 13.53 C ATOM 2224 CD1 TYR A 138 -18.806 4.112 2.033 1.00 30.15 C ATOM 2225 CD2 TYR A 138 -16.710 4.356 3.222 1.00 52.31 C ATOM 2226 CE1 TYR A 138 -19.069 5.474 2.212 1.00 15.32 C ATOM 2227 CE2 TYR A 138 -16.970 5.717 3.396 1.00 51.14 C ATOM 2228 CZ TYR A 138 -18.149 6.277 2.893 1.00 1.13 C ATOM 2229 OH TYR A 138 -18.403 7.621 3.073 1.00 0.33 O ATOM 0 H TYR A 138 -19.306 1.837 0.812 1.00 42.33 H new ATOM 0 HA TYR A 138 -18.327 0.281 3.077 1.00 30.14 H new ATOM 0 HB2 TYR A 138 -16.525 1.768 3.005 1.00 0.24 H new ATOM 0 HB3 TYR A 138 -17.051 1.868 1.337 1.00 0.24 H new ATOM 0 HD1 TYR A 138 -19.514 3.491 1.504 1.00 30.15 H new ATOM 0 HD2 TYR A 138 -15.801 3.925 3.616 1.00 52.31 H new ATOM 0 HE1 TYR A 138 -19.981 5.905 1.825 1.00 15.32 H new ATOM 0 HE2 TYR A 138 -16.259 6.339 3.920 1.00 51.14 H new ATOM 0 HH TYR A 138 -17.662 8.031 3.567 1.00 0.33 H new ATOM 2239 N THR A 139 -18.849 1.976 5.035 1.00 50.00 N ATOM 2240 CA THR A 139 -19.489 2.652 6.171 1.00 34.14 C ATOM 2241 C THR A 139 -18.534 3.701 6.751 1.00 42.01 C ATOM 2242 O THR A 139 -17.322 3.605 6.586 1.00 15.42 O ATOM 2243 CB THR A 139 -19.870 1.634 7.264 1.00 60.30 C ATOM 2244 OG1 THR A 139 -18.906 1.673 8.308 1.00 62.35 O ATOM 2245 CG2 THR A 139 -19.924 0.216 6.678 1.00 3.22 C ATOM 0 H THR A 139 -17.968 1.513 5.261 1.00 50.00 H new ATOM 0 HA THR A 139 -20.398 3.140 5.819 1.00 34.14 H new ATOM 0 HB THR A 139 -20.853 1.894 7.657 1.00 60.30 H new ATOM 0 HG1 THR A 139 -19.150 1.027 9.003 1.00 62.35 H new ATOM 0 HG21 THR A 139 -20.194 -0.492 7.462 1.00 3.22 H new ATOM 0 HG22 THR A 139 -20.669 0.179 5.883 1.00 3.22 H new ATOM 0 HG23 THR A 139 -18.947 -0.048 6.272 1.00 3.22 H new ATOM 2253 N ASP A 140 -19.080 4.725 7.393 1.00 40.41 N ATOM 2254 CA ASP A 140 -18.239 5.789 7.938 1.00 14.13 C ATOM 2255 C ASP A 140 -17.021 5.226 8.669 1.00 14.22 C ATOM 2256 O ASP A 140 -15.895 5.644 8.406 1.00 11.03 O ATOM 2257 CB ASP A 140 -19.055 6.657 8.898 1.00 54.23 C ATOM 2258 CG ASP A 140 -19.556 5.815 10.066 1.00 51.04 C ATOM 2259 OD1 ASP A 140 -19.711 4.619 9.884 1.00 5.21 O ATOM 2260 OD2 ASP A 140 -19.776 6.378 11.125 1.00 15.14 O ATOM 0 H ASP A 140 -20.081 4.844 7.549 1.00 40.41 H new ATOM 0 HA ASP A 140 -17.884 6.392 7.102 1.00 14.13 H new ATOM 0 HB2 ASP A 140 -18.442 7.479 9.268 1.00 54.23 H new ATOM 0 HB3 ASP A 140 -19.899 7.101 8.371 1.00 54.23 H new ATOM 2265 N GLU A 141 -17.233 4.300 9.596 1.00 33.12 N ATOM 2266 CA GLU A 141 -16.117 3.735 10.347 1.00 72.05 C ATOM 2267 C GLU A 141 -15.048 3.174 9.410 1.00 22.20 C ATOM 2268 O GLU A 141 -13.903 2.973 9.813 1.00 54.41 O ATOM 2269 CB GLU A 141 -16.622 2.624 11.270 1.00 44.22 C ATOM 2270 CG GLU A 141 -15.532 2.256 12.278 1.00 43.34 C ATOM 2271 CD GLU A 141 -16.039 1.171 13.222 1.00 64.11 C ATOM 2272 OE1 GLU A 141 -17.191 0.789 13.089 1.00 33.43 O ATOM 2273 OE2 GLU A 141 -15.270 0.738 14.064 1.00 23.12 O ATOM 0 H GLU A 141 -18.150 3.929 9.844 1.00 33.12 H new ATOM 0 HA GLU A 141 -15.670 4.533 10.940 1.00 72.05 H new ATOM 0 HB2 GLU A 141 -17.519 2.953 11.794 1.00 44.22 H new ATOM 0 HB3 GLU A 141 -16.899 1.748 10.683 1.00 44.22 H new ATOM 0 HG2 GLU A 141 -14.643 1.906 11.753 1.00 43.34 H new ATOM 0 HG3 GLU A 141 -15.240 3.138 12.848 1.00 43.34 H new ATOM 2280 N MET A 142 -15.429 2.910 8.165 1.00 62.22 N ATOM 2281 CA MET A 142 -14.488 2.358 7.195 1.00 23.02 C ATOM 2282 C MET A 142 -13.547 3.430 6.670 1.00 24.22 C ATOM 2283 O MET A 142 -12.501 3.121 6.110 1.00 74.13 O ATOM 2284 CB MET A 142 -15.245 1.735 6.029 1.00 34.54 C ATOM 2285 CG MET A 142 -16.337 0.803 6.569 1.00 74.15 C ATOM 2286 SD MET A 142 -16.622 -0.534 5.386 1.00 71.42 S ATOM 2287 CE MET A 142 -14.989 -1.298 5.528 1.00 54.20 C ATOM 0 H MET A 142 -16.371 3.067 7.806 1.00 62.22 H new ATOM 0 HA MET A 142 -13.897 1.594 7.700 1.00 23.02 H new ATOM 0 HB2 MET A 142 -15.690 2.515 5.412 1.00 34.54 H new ATOM 0 HB3 MET A 142 -14.558 1.178 5.392 1.00 34.54 H new ATOM 0 HG2 MET A 142 -16.037 0.393 7.533 1.00 74.15 H new ATOM 0 HG3 MET A 142 -17.259 1.361 6.733 1.00 74.15 H new ATOM 0 HE1 MET A 142 -15.074 -2.372 5.359 1.00 54.20 H new ATOM 0 HE2 MET A 142 -14.319 -0.866 4.785 1.00 54.20 H new ATOM 0 HE3 MET A 142 -14.589 -1.118 6.526 1.00 54.20 H new ATOM 2297 N VAL A 143 -13.913 4.689 6.885 1.00 34.03 N ATOM 2298 CA VAL A 143 -13.071 5.816 6.458 1.00 3.01 C ATOM 2299 C VAL A 143 -12.720 6.686 7.658 1.00 24.33 C ATOM 2300 O VAL A 143 -13.599 7.140 8.389 1.00 31.23 O ATOM 2301 CB VAL A 143 -13.769 6.664 5.377 1.00 62.14 C ATOM 2302 CG1 VAL A 143 -15.005 7.371 5.953 1.00 51.21 C ATOM 2303 CG2 VAL A 143 -12.786 7.717 4.833 1.00 74.23 C ATOM 0 H VAL A 143 -14.780 4.961 7.349 1.00 34.03 H new ATOM 0 HA VAL A 143 -12.157 5.408 6.025 1.00 3.01 H new ATOM 0 HB VAL A 143 -14.088 6.003 4.572 1.00 62.14 H new ATOM 0 HG11 VAL A 143 -15.482 7.964 5.172 1.00 51.21 H new ATOM 0 HG12 VAL A 143 -15.709 6.627 6.325 1.00 51.21 H new ATOM 0 HG13 VAL A 143 -14.702 8.025 6.771 1.00 51.21 H new ATOM 0 HG21 VAL A 143 -13.281 8.316 4.069 1.00 74.23 H new ATOM 0 HG22 VAL A 143 -12.460 8.365 5.647 1.00 74.23 H new ATOM 0 HG23 VAL A 143 -11.921 7.217 4.398 1.00 74.23 H new ATOM 2313 N ALA A 144 -11.425 6.890 7.878 1.00 50.10 N ATOM 2314 CA ALA A 144 -10.971 7.690 9.012 1.00 61.10 C ATOM 2315 C ALA A 144 -10.402 9.031 8.554 1.00 63.34 C ATOM 2316 O ALA A 144 -9.325 9.087 7.951 1.00 73.51 O ATOM 2317 CB ALA A 144 -9.899 6.921 9.786 1.00 1.35 C ATOM 0 H ALA A 144 -10.677 6.517 7.293 1.00 50.10 H new ATOM 0 HA ALA A 144 -11.830 7.884 9.655 1.00 61.10 H new ATOM 0 HB1 ALA A 144 -9.561 7.520 10.632 1.00 1.35 H new ATOM 0 HB2 ALA A 144 -10.316 5.982 10.149 1.00 1.35 H new ATOM 0 HB3 ALA A 144 -9.055 6.713 9.129 1.00 1.35 H new ATOM 2323 N MET A 145 -11.128 10.109 8.863 1.00 5.25 N ATOM 2324 CA MET A 145 -10.708 11.440 8.520 1.00 54.31 C ATOM 2325 C MET A 145 -9.723 11.893 9.595 1.00 61.24 C ATOM 2326 O MET A 145 -9.888 11.550 10.765 1.00 14.51 O ATOM 2327 CB MET A 145 -11.980 12.317 8.448 1.00 10.52 C ATOM 2328 CG MET A 145 -11.723 13.766 8.893 1.00 52.54 C ATOM 2329 SD MET A 145 -12.066 14.904 7.523 1.00 52.11 S ATOM 2330 CE MET A 145 -10.906 14.188 6.330 1.00 14.23 C ATOM 0 H MET A 145 -12.019 10.067 9.357 1.00 5.25 H new ATOM 0 HA MET A 145 -10.203 11.507 7.556 1.00 54.31 H new ATOM 0 HB2 MET A 145 -12.360 12.316 7.427 1.00 10.52 H new ATOM 0 HB3 MET A 145 -12.755 11.879 9.077 1.00 10.52 H new ATOM 0 HG2 MET A 145 -12.355 14.011 9.747 1.00 52.54 H new ATOM 0 HG3 MET A 145 -10.689 13.877 9.219 1.00 52.54 H new ATOM 0 HE1 MET A 145 -10.521 14.974 5.681 1.00 14.23 H new ATOM 0 HE2 MET A 145 -10.079 13.720 6.863 1.00 14.23 H new ATOM 0 HE3 MET A 145 -11.420 13.439 5.727 1.00 14.23 H new ATOM 2340 N LEU A 146 -8.694 12.654 9.206 1.00 73.10 N ATOM 2341 CA LEU A 146 -7.713 13.120 10.141 1.00 72.43 C ATOM 2342 C LEU A 146 -7.561 14.654 10.043 1.00 21.12 C ATOM 2343 O LEU A 146 -7.579 15.212 8.946 1.00 51.00 O ATOM 2344 CB LEU A 146 -6.417 12.367 9.817 1.00 14.35 C ATOM 2345 CG LEU A 146 -5.697 11.942 11.089 1.00 51.13 C ATOM 2346 CD1 LEU A 146 -6.647 11.240 12.099 1.00 53.34 C ATOM 2347 CD2 LEU A 146 -4.605 10.946 10.740 1.00 65.41 C ATOM 0 H LEU A 146 -8.535 12.951 8.243 1.00 73.10 H new ATOM 0 HA LEU A 146 -8.001 12.923 11.174 1.00 72.43 H new ATOM 0 HB2 LEU A 146 -6.645 11.488 9.213 1.00 14.35 H new ATOM 0 HB3 LEU A 146 -5.763 13.003 9.220 1.00 14.35 H new ATOM 0 HG LEU A 146 -5.297 12.848 11.544 1.00 51.13 H new ATOM 0 HD11 LEU A 146 -6.086 10.956 12.989 1.00 53.34 H new ATOM 0 HD12 LEU A 146 -7.450 11.922 12.378 1.00 53.34 H new ATOM 0 HD13 LEU A 146 -7.073 10.348 11.639 1.00 53.34 H new ATOM 0 HD21 LEU A 146 -4.088 10.640 11.649 1.00 65.41 H new ATOM 0 HD22 LEU A 146 -5.049 10.072 10.263 1.00 65.41 H new ATOM 0 HD23 LEU A 146 -3.894 11.410 10.057 1.00 65.41 H new ATOM 2359 N PRO A 147 -7.436 15.339 11.163 1.00 43.31 N ATOM 2360 CA PRO A 147 -7.308 16.836 11.207 1.00 22.33 C ATOM 2361 C PRO A 147 -5.933 17.347 10.768 1.00 64.42 C ATOM 2362 O PRO A 147 -5.008 16.571 10.554 1.00 52.10 O ATOM 2363 CB PRO A 147 -7.538 17.149 12.687 1.00 61.44 C ATOM 2364 CG PRO A 147 -6.999 15.952 13.387 1.00 55.51 C ATOM 2365 CD PRO A 147 -7.399 14.773 12.524 1.00 41.15 C ATOM 0 HA PRO A 147 -8.005 17.318 10.522 1.00 22.33 H new ATOM 0 HB2 PRO A 147 -7.018 18.058 12.990 1.00 61.44 H new ATOM 0 HB3 PRO A 147 -8.595 17.299 12.905 1.00 61.44 H new ATOM 0 HG2 PRO A 147 -5.916 16.013 13.493 1.00 55.51 H new ATOM 0 HG3 PRO A 147 -7.413 15.863 14.391 1.00 55.51 H new ATOM 0 HD2 PRO A 147 -6.680 13.958 12.600 1.00 41.15 H new ATOM 0 HD3 PRO A 147 -8.369 14.371 12.818 1.00 41.15 H new ATOM 2373 N ARG A 148 -5.830 18.668 10.633 1.00 24.45 N ATOM 2374 CA ARG A 148 -4.591 19.323 10.213 1.00 40.13 C ATOM 2375 C ARG A 148 -3.415 18.972 11.125 1.00 1.43 C ATOM 2376 O ARG A 148 -2.274 19.346 10.852 1.00 11.51 O ATOM 2377 CB ARG A 148 -4.791 20.840 10.218 1.00 12.42 C ATOM 2378 CG ARG A 148 -5.747 21.232 9.090 1.00 5.50 C ATOM 2379 CD ARG A 148 -6.118 22.711 9.220 1.00 73.34 C ATOM 2380 NE ARG A 148 -4.956 23.552 8.941 1.00 41.10 N ATOM 2381 CZ ARG A 148 -4.116 23.918 9.907 1.00 22.24 C ATOM 2382 NH1 ARG A 148 -4.316 23.520 11.134 1.00 43.03 N ATOM 2383 NH2 ARG A 148 -3.091 24.674 9.626 1.00 2.03 N ATOM 0 H ARG A 148 -6.600 19.313 10.811 1.00 24.45 H new ATOM 0 HA ARG A 148 -4.355 18.968 9.210 1.00 40.13 H new ATOM 0 HB2 ARG A 148 -5.194 21.161 11.179 1.00 12.42 H new ATOM 0 HB3 ARG A 148 -3.833 21.344 10.089 1.00 12.42 H new ATOM 0 HG2 ARG A 148 -5.279 21.048 8.123 1.00 5.50 H new ATOM 0 HG3 ARG A 148 -6.646 20.617 9.131 1.00 5.50 H new ATOM 0 HD2 ARG A 148 -6.925 22.953 8.528 1.00 73.34 H new ATOM 0 HD3 ARG A 148 -6.489 22.913 10.225 1.00 73.34 H new ATOM 0 HE ARG A 148 -4.785 23.865 7.986 1.00 41.10 H new ATOM 0 HH11 ARG A 148 -5.117 22.928 11.354 1.00 43.03 H new ATOM 0 HH12 ARG A 148 -3.672 23.801 11.873 1.00 43.03 H new ATOM 0 HH21 ARG A 148 -2.934 24.984 8.667 1.00 2.03 H new ATOM 0 HH22 ARG A 148 -2.447 24.955 10.365 1.00 2.03 H new ATOM 2397 N GLN A 149 -3.701 18.283 12.219 1.00 52.04 N ATOM 2398 CA GLN A 149 -2.666 17.918 13.186 1.00 51.24 C ATOM 2399 C GLN A 149 -1.483 17.203 12.531 1.00 22.35 C ATOM 2400 O GLN A 149 -1.654 16.209 11.829 1.00 42.24 O ATOM 2401 CB GLN A 149 -3.260 17.016 14.267 1.00 64.14 C ATOM 2402 CG GLN A 149 -4.392 17.753 14.985 1.00 54.21 C ATOM 2403 CD GLN A 149 -3.817 18.843 15.884 1.00 0.01 C ATOM 2404 OE1 GLN A 149 -2.725 18.687 16.429 1.00 53.34 O ATOM 2405 NE2 GLN A 149 -4.492 19.943 16.071 1.00 65.01 N ATOM 0 H GLN A 149 -4.638 17.964 12.463 1.00 52.04 H new ATOM 0 HA GLN A 149 -2.296 18.845 13.624 1.00 51.24 H new ATOM 0 HB2 GLN A 149 -3.637 16.096 13.820 1.00 64.14 H new ATOM 0 HB3 GLN A 149 -2.488 16.730 14.981 1.00 64.14 H new ATOM 0 HG2 GLN A 149 -5.071 18.193 14.255 1.00 54.21 H new ATOM 0 HG3 GLN A 149 -4.975 17.050 15.580 1.00 54.21 H new ATOM 0 HE21 GLN A 149 -5.397 20.069 15.618 1.00 65.01 H new ATOM 0 HE22 GLN A 149 -4.115 20.677 16.670 1.00 65.01 H new ATOM 2414 N GLU A 150 -0.281 17.728 12.779 1.00 14.32 N ATOM 2415 CA GLU A 150 0.951 17.151 12.233 1.00 22.54 C ATOM 2416 C GLU A 150 1.974 16.946 13.352 1.00 35.50 C ATOM 2417 O GLU A 150 2.124 17.802 14.224 1.00 24.24 O ATOM 2418 CB GLU A 150 1.537 18.087 11.172 1.00 54.11 C ATOM 2419 CG GLU A 150 1.921 19.420 11.820 1.00 42.13 C ATOM 2420 CD GLU A 150 2.293 20.433 10.744 1.00 70.14 C ATOM 2421 OE1 GLU A 150 2.378 20.042 9.592 1.00 23.40 O ATOM 2422 OE2 GLU A 150 2.489 21.588 11.087 1.00 41.35 O ATOM 0 H GLU A 150 -0.134 18.555 13.357 1.00 14.32 H new ATOM 0 HA GLU A 150 0.718 16.188 11.778 1.00 22.54 H new ATOM 0 HB2 GLU A 150 2.413 17.629 10.712 1.00 54.11 H new ATOM 0 HB3 GLU A 150 0.810 18.253 10.377 1.00 54.11 H new ATOM 0 HG2 GLU A 150 1.090 19.798 12.415 1.00 42.13 H new ATOM 0 HG3 GLU A 150 2.760 19.275 12.501 1.00 42.13 H new ATOM 2429 N GLU A 151 2.684 15.815 13.319 1.00 13.22 N ATOM 2430 CA GLU A 151 3.698 15.520 14.333 1.00 5.20 C ATOM 2431 C GLU A 151 5.016 15.180 13.652 1.00 62.25 C ATOM 2432 O GLU A 151 6.093 15.521 14.144 1.00 35.11 O ATOM 2433 CB GLU A 151 3.244 14.345 15.206 1.00 73.21 C ATOM 2434 CG GLU A 151 3.988 14.372 16.545 1.00 32.44 C ATOM 2435 CD GLU A 151 5.485 14.193 16.316 1.00 42.03 C ATOM 2436 OE1 GLU A 151 5.854 13.218 15.683 1.00 62.45 O ATOM 2437 OE2 GLU A 151 6.240 15.033 16.776 1.00 21.23 O ATOM 0 H GLU A 151 2.576 15.094 12.606 1.00 13.22 H new ATOM 0 HA GLU A 151 3.835 16.396 14.967 1.00 5.20 H new ATOM 0 HB2 GLU A 151 2.169 14.401 15.376 1.00 73.21 H new ATOM 0 HB3 GLU A 151 3.436 13.403 14.692 1.00 73.21 H new ATOM 0 HG2 GLU A 151 3.801 15.317 17.055 1.00 32.44 H new ATOM 0 HG3 GLU A 151 3.614 13.580 17.194 1.00 32.44 H new ATOM 2444 N CYS A 152 4.917 14.517 12.503 1.00 3.20 N ATOM 2445 CA CYS A 152 6.096 14.138 11.731 1.00 62.35 C ATOM 2446 C CYS A 152 6.015 14.731 10.334 1.00 44.42 C ATOM 2447 O CYS A 152 4.945 14.774 9.726 1.00 52.44 O ATOM 2448 CB CYS A 152 6.193 12.623 11.615 1.00 21.15 C ATOM 2449 SG CYS A 152 6.532 11.902 13.239 1.00 44.34 S ATOM 0 H CYS A 152 4.031 14.231 12.086 1.00 3.20 H new ATOM 0 HA CYS A 152 6.977 14.519 12.246 1.00 62.35 H new ATOM 0 HB2 CYS A 152 5.262 12.220 11.215 1.00 21.15 H new ATOM 0 HB3 CYS A 152 6.984 12.353 10.915 1.00 21.15 H new ATOM 2454 N THR A 153 7.153 15.184 9.835 1.00 64.12 N ATOM 2455 CA THR A 153 7.219 15.783 8.506 1.00 72.34 C ATOM 2456 C THR A 153 8.583 15.520 7.871 1.00 62.12 C ATOM 2457 O THR A 153 9.565 15.278 8.573 1.00 12.01 O ATOM 2458 CB THR A 153 6.983 17.296 8.608 1.00 53.15 C ATOM 2459 OG1 THR A 153 8.218 17.944 8.882 1.00 44.01 O ATOM 2460 CG2 THR A 153 5.988 17.598 9.736 1.00 12.22 C ATOM 0 H THR A 153 8.046 15.150 10.328 1.00 64.12 H new ATOM 0 HA THR A 153 6.447 15.334 7.881 1.00 72.34 H new ATOM 0 HB THR A 153 6.574 17.660 7.666 1.00 53.15 H new ATOM 0 HG1 THR A 153 8.073 18.911 8.946 1.00 44.01 H new ATOM 0 HG21 THR A 153 5.827 18.674 9.801 1.00 12.22 H new ATOM 0 HG22 THR A 153 5.040 17.101 9.528 1.00 12.22 H new ATOM 0 HG23 THR A 153 6.389 17.234 10.682 1.00 12.22 H new ATOM 2468 N VAL A 154 8.642 15.581 6.543 1.00 51.52 N ATOM 2469 CA VAL A 154 9.879 15.363 5.834 1.00 60.43 C ATOM 2470 C VAL A 154 10.777 16.582 5.977 1.00 12.12 C ATOM 2471 O VAL A 154 10.314 17.675 6.300 1.00 35.22 O ATOM 2472 CB VAL A 154 9.592 15.112 4.353 1.00 1.14 C ATOM 2473 CG1 VAL A 154 8.430 14.126 4.206 1.00 44.43 C ATOM 2474 CG2 VAL A 154 9.236 16.436 3.661 1.00 71.22 C ATOM 0 H VAL A 154 7.841 15.781 5.944 1.00 51.52 H new ATOM 0 HA VAL A 154 10.381 14.493 6.257 1.00 60.43 H new ATOM 0 HB VAL A 154 10.481 14.689 3.886 1.00 1.14 H new ATOM 0 HG11 VAL A 154 8.232 13.952 3.148 1.00 44.43 H new ATOM 0 HG12 VAL A 154 8.690 13.183 4.686 1.00 44.43 H new ATOM 0 HG13 VAL A 154 7.539 14.540 4.679 1.00 44.43 H new ATOM 0 HG21 VAL A 154 9.032 16.252 2.606 1.00 71.22 H new ATOM 0 HG22 VAL A 154 8.352 16.866 4.132 1.00 71.22 H new ATOM 0 HG23 VAL A 154 10.071 17.131 3.754 1.00 71.22 H new ATOM 2484 N ASP A 155 12.053 16.385 5.722 1.00 24.30 N ATOM 2485 CA ASP A 155 13.007 17.479 5.810 1.00 21.03 C ATOM 2486 C ASP A 155 12.840 18.428 4.642 1.00 14.50 C ATOM 2487 O ASP A 155 12.190 18.120 3.644 1.00 4.23 O ATOM 2488 CB ASP A 155 14.444 16.968 5.838 1.00 61.34 C ATOM 2489 CG ASP A 155 15.426 18.135 5.777 1.00 71.00 C ATOM 2490 OD1 ASP A 155 15.225 19.092 6.507 1.00 62.01 O ATOM 2491 OD2 ASP A 155 16.364 18.055 5.001 1.00 31.41 O ATOM 0 H ASP A 155 12.455 15.487 5.454 1.00 24.30 H new ATOM 0 HA ASP A 155 12.806 18.007 6.742 1.00 21.03 H new ATOM 0 HB2 ASP A 155 14.613 16.389 6.746 1.00 61.34 H new ATOM 0 HB3 ASP A 155 14.614 16.297 4.996 1.00 61.34 H new ATOM 2496 N GLU A 156 13.443 19.583 4.796 1.00 2.41 N ATOM 2497 CA GLU A 156 13.394 20.621 3.783 1.00 53.24 C ATOM 2498 C GLU A 156 14.134 20.182 2.524 1.00 51.24 C ATOM 2499 O GLU A 156 13.724 20.502 1.408 1.00 33.03 O ATOM 2500 CB GLU A 156 14.031 21.891 4.340 1.00 2.32 C ATOM 2501 CG GLU A 156 13.111 22.508 5.394 1.00 20.22 C ATOM 2502 CD GLU A 156 13.676 23.844 5.865 1.00 12.41 C ATOM 2503 OE1 GLU A 156 14.593 23.827 6.670 1.00 14.01 O ATOM 2504 OE2 GLU A 156 13.185 24.865 5.412 1.00 74.02 O ATOM 0 H GLU A 156 13.982 19.834 5.625 1.00 2.41 H new ATOM 0 HA GLU A 156 12.354 20.811 3.519 1.00 53.24 H new ATOM 0 HB2 GLU A 156 15.001 21.660 4.780 1.00 2.32 H new ATOM 0 HB3 GLU A 156 14.208 22.604 3.535 1.00 2.32 H new ATOM 0 HG2 GLU A 156 12.114 22.652 4.978 1.00 20.22 H new ATOM 0 HG3 GLU A 156 13.008 21.829 6.240 1.00 20.22 H new ATOM 2511 N VAL A 157 15.227 19.449 2.710 1.00 61.44 N ATOM 2512 CA VAL A 157 16.018 18.973 1.581 1.00 35.44 C ATOM 2513 C VAL A 157 17.084 17.988 2.052 1.00 20.22 C ATOM 2514 O VAL A 157 17.257 16.975 1.395 1.00 63.22 O ATOM 2515 CB VAL A 157 16.685 20.154 0.876 1.00 74.44 C ATOM 2516 CG1 VAL A 157 17.713 20.793 1.812 1.00 13.45 C ATOM 2517 CG2 VAL A 157 17.388 19.661 -0.390 1.00 24.25 C ATOM 2518 OXT VAL A 157 17.712 18.263 3.061 1.00 63.22 O ATOM 0 H VAL A 157 15.583 19.173 3.625 1.00 61.44 H new ATOM 0 HA VAL A 157 15.353 18.464 0.883 1.00 35.44 H new ATOM 0 HB VAL A 157 15.928 20.891 0.609 1.00 74.44 H new ATOM 0 HG11 VAL A 157 18.189 21.635 1.309 1.00 13.45 H new ATOM 0 HG12 VAL A 157 17.214 21.144 2.715 1.00 13.45 H new ATOM 0 HG13 VAL A 157 18.470 20.055 2.079 1.00 13.45 H new ATOM 0 HG21 VAL A 157 17.864 20.503 -0.893 1.00 24.25 H new ATOM 0 HG22 VAL A 157 18.145 18.923 -0.122 1.00 24.25 H new ATOM 0 HG23 VAL A 157 16.657 19.205 -1.058 1.00 24.25 H new TER 2528 VAL A 157 HETATM 2529 O6 EB4 A 200 1.829 3.439 3.483 1.00 20.00 O HETATM 2530 O4 EB4 A 200 0.785 1.717 2.480 1.00 20.00 O HETATM 2531 O5 EB4 A 200 3.110 1.726 2.915 1.00 20.00 O HETATM 2532 N1 EB4 A 200 -0.503 -1.685 5.710 1.00 20.00 N HETATM 2533 C5 EB4 A 200 4.127 0.874 3.215 1.00 20.00 C HETATM 2534 C4 EB4 A 200 -0.136 0.726 2.354 1.00 20.00 C HETATM 2535 C1 EB4 A 200 -0.260 -0.084 3.477 1.00 20.00 C HETATM 2536 C2 EB4 A 200 4.116 0.378 4.514 1.00 20.00 C HETATM 2537 C6 EB4 A 200 1.225 4.234 4.407 1.00 20.00 C HETATM 2538 C8 EB4 A 200 5.131 0.489 2.333 1.00 20.00 C HETATM 2539 N2 EB4 A 200 3.991 -0.744 6.937 1.00 20.00 N HETATM 2540 C9 EB4 A 200 0.844 5.553 4.194 1.00 20.00 C HETATM 2541 C10 EB4 A 200 -1.830 -0.574 1.235 1.00 20.00 C HETATM 2542 O3 EB4 A 200 1.365 2.324 5.716 1.00 20.00 O HETATM 2543 N3 EB4 A 200 0.409 2.410 8.060 1.00 20.00 N HETATM 2544 C16 EB4 A 200 -1.168 -1.137 3.479 1.00 20.00 C HETATM 2545 C7 EB4 A 200 -0.922 0.478 1.234 1.00 20.00 C HETATM 2546 C3 EB4 A 200 0.999 3.632 5.639 1.00 20.00 C HETATM 2547 C11 EB4 A 200 6.123 -0.391 2.752 1.00 20.00 C HETATM 2548 O1 EB4 A 200 0.560 0.254 4.508 1.00 20.00 O HETATM 2549 O2 EB4 A 200 3.093 0.815 5.296 1.00 20.00 O HETATM 2550 C12 EB4 A 200 0.264 6.281 5.228 1.00 20.00 C HETATM 2551 C15 EB4 A 200 0.069 5.690 6.471 1.00 20.00 C HETATM 2552 C14 EB4 A 200 6.111 -0.885 4.051 1.00 20.00 C HETATM 2553 C13 EB4 A 200 -1.953 -1.383 2.359 1.00 20.00 C HETATM 2554 O7 EB4 A 200 -2.101 -2.941 4.700 1.00 20.00 O HETATM 2555 C19 EB4 A 200 -1.303 -2.006 4.683 1.00 20.00 C HETATM 2556 C22 EB4 A 200 -0.517 -2.447 6.967 1.00 20.00 C HETATM 2557 C25 EB4 A 200 -0.891 -1.546 8.134 1.00 20.00 C HETATM 2558 O10 EB4 A 200 -1.522 -1.994 9.091 1.00 20.00 O HETATM 2559 O15 EB4 A 200 -0.485 -0.251 8.042 1.00 20.00 O HETATM 2560 C30 EB4 A 200 -0.853 0.612 9.129 1.00 20.00 C HETATM 2561 C24 EB4 A 200 0.236 1.654 9.309 1.00 20.00 C HETATM 2562 C21 EB4 A 200 0.223 3.737 8.013 1.00 20.00 C HETATM 2563 C18 EB4 A 200 0.436 4.365 6.678 1.00 20.00 C HETATM 2564 O9 EB4 A 200 -0.099 4.418 8.986 1.00 20.00 O HETATM 2565 C27 EB4 A 200 1.507 0.885 9.781 1.00 20.00 C HETATM 2566 O12 EB4 A 200 1.605 0.465 10.932 1.00 20.00 O HETATM 2567 C28 EB4 A 200 0.804 -3.177 7.161 1.00 20.00 C HETATM 2568 O13 EB4 A 200 1.945 -2.304 7.192 1.00 20.00 O HETATM 2569 C26 EB4 A 200 2.566 -2.102 8.385 1.00 20.00 C HETATM 2570 O11 EB4 A 200 2.194 -2.595 9.449 1.00 20.00 O HETATM 2571 C23 EB4 A 200 3.799 -1.195 8.323 1.00 20.00 C HETATM 2572 C29 EB4 A 200 3.624 -0.001 9.247 1.00 20.00 C HETATM 2573 O14 EB4 A 200 2.464 0.730 8.828 1.00 20.00 O HETATM 2574 C20 EB4 A 200 5.100 -1.000 6.231 1.00 20.00 C HETATM 2575 O8 EB4 A 200 6.061 -1.629 6.670 1.00 20.00 O HETATM 2576 C17 EB4 A 200 5.108 -0.502 4.933 1.00 20.00 C HETATM 0 H30A EB4 A 200 -1.808 1.095 8.922 1.00 20.00 H new HETATM 0 H29A EB4 A 200 3.510 -0.334 10.279 1.00 20.00 H new HETATM 0 H28A EB4 A 200 0.764 -3.742 8.092 1.00 20.00 H new HETATM 0 HN3 EB4 A 200 0.677 1.914 7.210 1.00 20.00 H new HETATM 0 HN2 EB4 A 200 3.244 -0.211 6.492 1.00 20.00 H new HETATM 0 HN1 EB4 A 200 0.131 -0.892 5.617 1.00 20.00 H new HETATM 0 H9 EB4 A 200 0.999 6.016 3.220 1.00 20.00 H new HETATM 0 H8 EB4 A 200 5.140 0.877 1.314 1.00 20.00 H new HETATM 0 H7 EB4 A 200 -0.826 1.111 0.352 1.00 20.00 H new HETATM 0 H30 EB4 A 200 -0.979 0.034 10.045 1.00 20.00 H new HETATM 0 H29 EB4 A 200 4.507 0.637 9.213 1.00 20.00 H new HETATM 0 H28 EB4 A 200 0.932 -3.900 6.355 1.00 20.00 H new HETATM 0 H24 EB4 A 200 -0.007 2.405 10.060 1.00 20.00 H new HETATM 0 H23 EB4 A 200 4.677 -1.752 8.650 1.00 20.00 H new HETATM 0 H22 EB4 A 200 -1.287 -3.217 6.919 1.00 20.00 H new HETATM 0 H15 EB4 A 200 -0.372 6.266 7.284 1.00 20.00 H new HETATM 0 H14 EB4 A 200 6.890 -1.574 4.378 1.00 20.00 H new HETATM 0 H13 EB4 A 200 -2.664 -2.209 2.362 1.00 20.00 H new HETATM 0 H12 EB4 A 200 -0.038 7.315 5.063 1.00 20.00 H new HETATM 0 H11 EB4 A 200 6.910 -0.693 2.061 1.00 20.00 H new HETATM 0 H10 EB4 A 200 -2.445 -0.765 0.356 1.00 20.00 H new HETATM 2598 GA GA A 201 1.789 1.622 4.148 1.00 20.00 GA HETATM 2599 C1 ACD A 300 -1.449 9.572 -10.630 1.00 20.00 C HETATM 2600 C2 ACD A 300 0.054 9.542 -10.917 1.00 20.00 C HETATM 2601 C3 ACD A 300 0.753 8.606 -9.929 1.00 20.00 C HETATM 2602 C4 ACD A 300 0.491 9.079 -8.497 1.00 20.00 C HETATM 2603 C5 ACD A 300 1.253 8.190 -7.512 1.00 20.00 C HETATM 2604 C6 ACD A 300 0.653 7.867 -6.143 1.00 20.00 C HETATM 2605 C7 ACD A 300 -0.715 8.433 -5.753 1.00 20.00 C HETATM 2606 C8 ACD A 300 -0.688 8.928 -4.306 1.00 20.00 C HETATM 2607 C9 ACD A 300 -0.812 7.942 -3.144 1.00 20.00 C HETATM 2608 C10 ACD A 300 -0.965 6.443 -3.408 1.00 20.00 C HETATM 2609 C11 ACD A 300 -1.737 5.809 -2.248 1.00 20.00 C HETATM 2610 C12 ACD A 300 -1.019 5.496 -0.934 1.00 20.00 C HETATM 2611 C13 ACD A 300 0.470 5.820 -0.792 1.00 20.00 C HETATM 2612 C14 ACD A 300 0.714 6.205 0.669 1.00 20.00 C HETATM 2613 C15 ACD A 300 0.798 7.673 1.092 1.00 20.00 C HETATM 2614 C16 ACD A 300 0.638 8.797 0.066 1.00 20.00 C HETATM 2615 C17 ACD A 300 1.748 8.723 -0.985 1.00 20.00 C HETATM 2616 C18 ACD A 300 1.509 9.795 -2.050 1.00 20.00 C HETATM 2617 C19 ACD A 300 2.427 9.525 -3.244 1.00 20.00 C HETATM 2618 C20 ACD A 300 2.074 10.466 -4.398 1.00 20.00 C HETATM 2619 O1 ACD A 300 -2.060 10.631 -10.894 1.00 20.00 O HETATM 2620 O2 ACD A 300 -1.955 8.533 -10.153 1.00 20.00 O HETATM 0 H203 ACD A 300 1.039 10.302 -4.697 1.00 20.00 H new HETATM 0 H202 ACD A 300 2.199 11.500 -4.076 1.00 20.00 H new HETATM 0 H201 ACD A 300 2.732 10.267 -5.244 1.00 20.00 H new HETATM 0 H192 ACD A 300 3.468 9.668 -2.953 1.00 20.00 H new HETATM 0 H191 ACD A 300 2.325 8.488 -3.565 1.00 20.00 H new HETATM 0 H182 ACD A 300 0.466 9.785 -2.367 1.00 20.00 H new HETATM 0 H181 ACD A 300 1.707 10.785 -1.639 1.00 20.00 H new HETATM 0 H172 ACD A 300 2.720 8.872 -0.515 1.00 20.00 H new HETATM 0 H171 ACD A 300 1.764 7.735 -1.445 1.00 20.00 H new HETATM 0 H162 ACD A 300 -0.336 8.720 -0.418 1.00 20.00 H new HETATM 0 H161 ACD A 300 0.668 9.764 0.569 1.00 20.00 H new HETATM 0 H132 ACD A 300 1.079 4.960 -1.070 1.00 20.00 H new HETATM 0 H131 ACD A 300 0.751 6.637 -1.457 1.00 20.00 H new HETATM 0 H102 ACD A 300 -1.494 6.278 -4.347 1.00 20.00 H new HETATM 0 H101 ACD A 300 0.015 5.976 -3.508 1.00 20.00 H new HETATM 0 HO2 ACD A 300 -2.612 8.774 -9.467 1.00 20.00 H new HETATM 0 H9 ACD A 300 -0.791 8.310 -2.118 1.00 20.00 H new HETATM 0 H8 ACD A 300 -0.579 9.993 -4.101 1.00 20.00 H new HETATM 0 H72 ACD A 300 -0.982 9.252 -6.421 1.00 20.00 H new HETATM 0 H71 ACD A 300 -1.481 7.666 -5.869 1.00 20.00 H new HETATM 0 H6 ACD A 300 1.200 7.233 -5.444 1.00 20.00 H new HETATM 0 H5 ACD A 300 2.227 7.785 -7.787 1.00 20.00 H new HETATM 0 H42 ACD A 300 0.805 10.117 -8.383 1.00 20.00 H new HETATM 0 H41 ACD A 300 -0.577 9.044 -8.282 1.00 20.00 H new HETATM 0 H32 ACD A 300 0.388 7.587 -10.058 1.00 20.00 H new HETATM 0 H31 ACD A 300 1.825 8.588 -10.126 1.00 20.00 H new HETATM 0 H22 ACD A 300 0.232 9.205 -11.938 1.00 20.00 H new HETATM 0 H21 ACD A 300 0.469 10.547 -10.836 1.00 20.00 H new HETATM 0 H15 ACD A 300 0.974 7.922 2.139 1.00 20.00 H new HETATM 0 H14 ACD A 300 0.830 5.422 1.419 1.00 20.00 H new HETATM 0 H12 ACD A 300 -1.564 5.045 -0.105 1.00 20.00 H new HETATM 0 H11 ACD A 300 -2.797 5.581 -2.358 1.00 20.00 H new