USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 958 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 SER OG : rot -91:sc= 0.672 USER MOD Set 1.2: A 114 THR OG1 : rot 180:sc= 0.115 USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= -0.726 F(o=-10,f=-7.7) USER MOD Set 2.2: A 98 HIS :FLIP no HD1:sc= -6.96! C(o=-11!,f=-7.7!) USER MOD Set 3.1: A 35 LYS NZ :NH3+ -176:sc= 2.2 (180deg=1.08) USER MOD Set 3.2: A 39 SER OG : rot -150:sc= 0.364 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.129 (180deg=-0.64) USER MOD Single : A 1 MET N :NH3+ 146:sc= 1.33 (180deg=0.708) USER MOD Single : A 2 LYS NZ :NH3+ 160:sc= 0.319 (180deg=-0.0903) USER MOD Single : A 3 SER OG : rot 63:sc= -1.36 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 103:sc= 0.0619 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 33 CYS SG : rot 160:sc= -2.72 USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= -0.0105 (180deg=-0.15) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= -0.0964 (180deg=-0.114) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.159 USER MOD Single : A 56 THR OG1 : rot 113:sc= 0.138 USER MOD Single : A 59 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.6) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -110:sc= -1.34 (180deg=-3.52!) USER MOD Single : A 69 MET CE :methyl 168:sc= -0.592 (180deg=-1.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc=0.000996 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.72 USER MOD Single : A 91 MET CE :methyl -158:sc=-0.00685 (180deg=-0.699) USER MOD Single : A 92 SER OG : rot 176:sc= -0.392 USER MOD Single : A 95 TYR OH : rot 141:sc= 1.24 USER MOD Single : A 96 GLN : amide:sc= -0.655 X(o=-0.65,f=-0.79) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00978) USER MOD Single : A 106 TYR OH : rot -6:sc= 0.374 USER MOD Single : A 108 THR OG1 : rot -83:sc= 0.0469 USER MOD Single : A 109 TYR OH : rot 77:sc= -2.38 USER MOD Single : A 113 ASN : amide:sc= -2.64! C(o=-2.6!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.906 1.084 -0.429 1.00 72.30 N ATOM 2 CA MET A 1 2.397 0.375 0.740 1.00 34.54 C ATOM 3 C MET A 1 3.915 0.511 0.867 1.00 2.23 C ATOM 4 O MET A 1 4.411 1.111 1.820 1.00 34.11 O ATOM 5 CB MET A 1 2.024 -1.106 0.634 1.00 42.45 C ATOM 6 CG MET A 1 0.522 -1.310 0.844 1.00 45.43 C ATOM 7 SD MET A 1 -0.365 -0.895 -0.649 1.00 23.14 S ATOM 8 CE MET A 1 0.052 -2.306 -1.659 1.00 60.31 C ATOM 0 H1 MET A 1 1.096 0.571 -0.831 1.00 72.30 H new ATOM 0 H2 MET A 1 1.607 2.042 -0.154 1.00 72.30 H new ATOM 0 H3 MET A 1 2.663 1.148 -1.140 1.00 72.30 H new ATOM 0 HA MET A 1 1.937 0.812 1.626 1.00 34.54 H new ATOM 0 HB2 MET A 1 2.313 -1.488 -0.345 1.00 42.45 H new ATOM 0 HB3 MET A 1 2.580 -1.679 1.377 1.00 42.45 H new ATOM 0 HG2 MET A 1 0.322 -2.346 1.120 1.00 45.43 H new ATOM 0 HG3 MET A 1 0.174 -0.688 1.669 1.00 45.43 H new ATOM 0 HE1 MET A 1 -0.729 -2.465 -2.402 1.00 60.31 H new ATOM 0 HE2 MET A 1 1.001 -2.125 -2.163 1.00 60.31 H new ATOM 0 HE3 MET A 1 0.139 -3.191 -1.029 1.00 60.31 H new ATOM 18 N LYS A 2 4.612 -0.055 -0.107 1.00 53.02 N ATOM 19 CA LYS A 2 6.064 -0.004 -0.117 1.00 11.14 C ATOM 20 C LYS A 2 6.518 1.416 -0.461 1.00 54.12 C ATOM 21 O LYS A 2 6.897 2.182 0.423 1.00 3.11 O ATOM 22 CB LYS A 2 6.632 -1.075 -1.050 1.00 53.43 C ATOM 23 CG LYS A 2 6.384 -2.477 -0.491 1.00 71.11 C ATOM 24 CD LYS A 2 4.911 -2.868 -0.625 1.00 32.33 C ATOM 25 CE LYS A 2 4.746 -4.389 -0.629 1.00 33.44 C ATOM 26 NZ LYS A 2 5.457 -4.991 0.522 1.00 51.23 N ATOM 0 H LYS A 2 4.198 -0.552 -0.896 1.00 53.02 H new ATOM 0 HA LYS A 2 6.460 -0.234 0.872 1.00 11.14 H new ATOM 0 HB2 LYS A 2 6.172 -0.986 -2.034 1.00 53.43 H new ATOM 0 HB3 LYS A 2 7.702 -0.917 -1.182 1.00 53.43 H new ATOM 0 HG2 LYS A 2 7.005 -3.199 -1.021 1.00 71.11 H new ATOM 0 HG3 LYS A 2 6.679 -2.512 0.558 1.00 71.11 H new ATOM 0 HD2 LYS A 2 4.341 -2.439 0.199 1.00 32.33 H new ATOM 0 HD3 LYS A 2 4.503 -2.452 -1.546 1.00 32.33 H new ATOM 0 HE2 LYS A 2 3.688 -4.646 -0.585 1.00 33.44 H new ATOM 0 HE3 LYS A 2 5.135 -4.800 -1.560 1.00 33.44 H new ATOM 0 HZ1 LYS A 2 5.075 -5.940 0.708 1.00 51.23 H new ATOM 0 HZ2 LYS A 2 6.472 -5.062 0.305 1.00 51.23 H new ATOM 0 HZ3 LYS A 2 5.324 -4.394 1.363 1.00 51.23 H new ATOM 39 N SER A 3 6.463 1.724 -1.749 1.00 4.24 N ATOM 40 CA SER A 3 6.864 3.039 -2.221 1.00 61.41 C ATOM 41 C SER A 3 5.785 3.616 -3.139 1.00 51.12 C ATOM 42 O SER A 3 4.938 2.882 -3.645 1.00 55.14 O ATOM 43 CB SER A 3 8.206 2.975 -2.954 1.00 13.03 C ATOM 44 OG SER A 3 9.147 2.149 -2.273 1.00 51.32 O ATOM 0 H SER A 3 6.147 1.086 -2.480 1.00 4.24 H new ATOM 0 HA SER A 3 6.984 3.692 -1.356 1.00 61.41 H new ATOM 0 HB2 SER A 3 8.050 2.592 -3.963 1.00 13.03 H new ATOM 0 HB3 SER A 3 8.613 3.981 -3.054 1.00 13.03 H new ATOM 0 HG SER A 3 8.813 1.228 -2.244 1.00 51.32 H new ATOM 50 N THR A 4 5.851 4.926 -3.326 1.00 41.11 N ATOM 51 CA THR A 4 4.890 5.611 -4.174 1.00 62.43 C ATOM 52 C THR A 4 5.579 6.161 -5.424 1.00 44.03 C ATOM 53 O THR A 4 4.921 6.460 -6.420 1.00 4.04 O ATOM 54 CB THR A 4 4.203 6.689 -3.335 1.00 14.12 C ATOM 55 OG1 THR A 4 5.245 7.207 -2.513 1.00 44.25 O ATOM 56 CG2 THR A 4 3.199 6.105 -2.339 1.00 22.55 C ATOM 0 H THR A 4 6.555 5.532 -2.905 1.00 41.11 H new ATOM 0 HA THR A 4 4.125 4.926 -4.538 1.00 62.43 H new ATOM 0 HB THR A 4 3.694 7.391 -3.995 1.00 14.12 H new ATOM 0 HG1 THR A 4 4.886 7.914 -1.937 1.00 44.25 H new ATOM 0 HG21 THR A 4 2.740 6.913 -1.769 1.00 22.55 H new ATOM 0 HG22 THR A 4 2.427 5.558 -2.879 1.00 22.55 H new ATOM 0 HG23 THR A 4 3.714 5.428 -1.658 1.00 22.55 H new ATOM 64 N PHE A 5 6.896 6.278 -5.332 1.00 51.11 N ATOM 65 CA PHE A 5 7.682 6.787 -6.443 1.00 53.42 C ATOM 66 C PHE A 5 7.545 5.884 -7.671 1.00 3.23 C ATOM 67 O PHE A 5 7.700 6.341 -8.802 1.00 51.02 O ATOM 68 CB PHE A 5 9.143 6.796 -5.991 1.00 21.32 C ATOM 69 CG PHE A 5 9.847 5.445 -6.137 1.00 3.25 C ATOM 70 CD1 PHE A 5 9.314 4.334 -5.561 1.00 53.52 C ATOM 71 CD2 PHE A 5 11.007 5.356 -6.842 1.00 31.44 C ATOM 72 CE1 PHE A 5 9.967 3.081 -5.697 1.00 2.04 C ATOM 73 CE2 PHE A 5 11.660 4.102 -6.977 1.00 4.21 C ATOM 74 CZ PHE A 5 11.127 2.991 -6.402 1.00 12.44 C ATOM 0 H PHE A 5 7.438 6.029 -4.505 1.00 51.11 H new ATOM 0 HA PHE A 5 7.336 7.783 -6.718 1.00 53.42 H new ATOM 0 HB2 PHE A 5 9.687 7.542 -6.570 1.00 21.32 H new ATOM 0 HB3 PHE A 5 9.188 7.107 -4.947 1.00 21.32 H new ATOM 0 HD1 PHE A 5 8.394 4.405 -5.000 1.00 53.52 H new ATOM 0 HD2 PHE A 5 11.431 6.238 -7.299 1.00 31.44 H new ATOM 0 HE1 PHE A 5 9.543 2.199 -5.241 1.00 2.04 H new ATOM 0 HE2 PHE A 5 12.581 4.031 -7.537 1.00 4.21 H new ATOM 0 HZ PHE A 5 11.624 2.038 -6.505 1.00 12.44 H new ATOM 84 N LYS A 6 7.257 4.619 -7.405 1.00 61.53 N ATOM 85 CA LYS A 6 7.098 3.647 -8.474 1.00 41.22 C ATOM 86 C LYS A 6 5.823 3.962 -9.258 1.00 54.23 C ATOM 87 O LYS A 6 5.871 4.176 -10.469 1.00 14.34 O ATOM 88 CB LYS A 6 7.140 2.224 -7.915 1.00 65.41 C ATOM 89 CG LYS A 6 6.927 1.192 -9.025 1.00 12.11 C ATOM 90 CD LYS A 6 6.538 -0.168 -8.442 1.00 1.02 C ATOM 91 CE LYS A 6 7.775 -0.936 -7.970 1.00 54.12 C ATOM 92 NZ LYS A 6 7.377 -2.144 -7.213 1.00 11.42 N ATOM 0 H LYS A 6 7.130 4.244 -6.465 1.00 61.53 H new ATOM 0 HA LYS A 6 7.929 3.714 -9.176 1.00 41.22 H new ATOM 0 HB2 LYS A 6 8.100 2.048 -7.430 1.00 65.41 H new ATOM 0 HB3 LYS A 6 6.371 2.106 -7.152 1.00 65.41 H new ATOM 0 HG2 LYS A 6 6.147 1.538 -9.703 1.00 12.11 H new ATOM 0 HG3 LYS A 6 7.839 1.092 -9.613 1.00 12.11 H new ATOM 0 HD2 LYS A 6 5.852 -0.027 -7.607 1.00 1.02 H new ATOM 0 HD3 LYS A 6 6.008 -0.752 -9.194 1.00 1.02 H new ATOM 0 HE2 LYS A 6 8.383 -1.221 -8.829 1.00 54.12 H new ATOM 0 HE3 LYS A 6 8.392 -0.293 -7.342 1.00 54.12 H new ATOM 0 HZ1 LYS A 6 8.228 -2.654 -6.900 1.00 11.42 H new ATOM 0 HZ2 LYS A 6 6.816 -1.864 -6.383 1.00 11.42 H new ATOM 0 HZ3 LYS A 6 6.807 -2.764 -7.823 1.00 11.42 H new ATOM 105 N SER A 7 4.712 3.981 -8.536 1.00 72.34 N ATOM 106 CA SER A 7 3.426 4.266 -9.149 1.00 54.13 C ATOM 107 C SER A 7 3.251 5.776 -9.320 1.00 12.51 C ATOM 108 O SER A 7 3.203 6.277 -10.443 1.00 22.44 O ATOM 109 CB SER A 7 2.279 3.690 -8.317 1.00 32.24 C ATOM 110 OG SER A 7 2.403 4.019 -6.936 1.00 4.52 O ATOM 0 H SER A 7 4.676 3.804 -7.532 1.00 72.34 H new ATOM 0 HA SER A 7 3.402 3.790 -10.129 1.00 54.13 H new ATOM 0 HB2 SER A 7 1.330 4.069 -8.696 1.00 32.24 H new ATOM 0 HB3 SER A 7 2.257 2.606 -8.431 1.00 32.24 H new ATOM 0 HG SER A 7 1.781 4.743 -6.715 1.00 4.52 H new ATOM 116 N GLU A 8 3.160 6.461 -8.189 1.00 60.20 N ATOM 117 CA GLU A 8 2.992 7.904 -8.199 1.00 54.01 C ATOM 118 C GLU A 8 3.830 8.529 -9.316 1.00 24.41 C ATOM 119 O GLU A 8 3.313 9.284 -10.137 1.00 70.03 O ATOM 120 CB GLU A 8 3.352 8.508 -6.840 1.00 74.51 C ATOM 121 CG GLU A 8 2.661 9.858 -6.640 1.00 31.04 C ATOM 122 CD GLU A 8 1.141 9.718 -6.749 1.00 2.14 C ATOM 123 OE1 GLU A 8 0.569 8.747 -6.231 1.00 3.20 O ATOM 124 OE2 GLU A 8 0.552 10.664 -7.398 1.00 53.10 O ATOM 0 H GLU A 8 3.200 6.043 -7.259 1.00 60.20 H new ATOM 0 HA GLU A 8 1.942 8.126 -8.392 1.00 54.01 H new ATOM 0 HB2 GLU A 8 3.058 7.823 -6.044 1.00 74.51 H new ATOM 0 HB3 GLU A 8 4.432 8.634 -6.769 1.00 74.51 H new ATOM 0 HG2 GLU A 8 2.923 10.263 -5.663 1.00 31.04 H new ATOM 0 HG3 GLU A 8 3.019 10.568 -7.386 1.00 31.04 H new ATOM 132 N TYR A 9 5.111 8.190 -9.310 1.00 43.13 N ATOM 133 CA TYR A 9 6.027 8.708 -10.313 1.00 13.23 C ATOM 134 C TYR A 9 6.449 7.609 -11.290 1.00 53.42 C ATOM 135 O TYR A 9 6.529 6.440 -10.918 1.00 24.10 O ATOM 136 CB TYR A 9 7.259 9.194 -9.547 1.00 41.13 C ATOM 137 CG TYR A 9 7.243 10.690 -9.227 1.00 40.12 C ATOM 138 CD1 TYR A 9 6.879 11.600 -10.199 1.00 60.20 C ATOM 139 CD2 TYR A 9 7.593 11.130 -7.967 1.00 35.15 C ATOM 140 CE1 TYR A 9 6.864 13.008 -9.898 1.00 31.12 C ATOM 141 CE2 TYR A 9 7.577 12.538 -7.665 1.00 64.12 C ATOM 142 CZ TYR A 9 7.214 13.407 -8.646 1.00 12.42 C ATOM 143 OH TYR A 9 7.200 14.737 -8.361 1.00 55.32 O ATOM 0 H TYR A 9 5.536 7.563 -8.627 1.00 43.13 H new ATOM 0 HA TYR A 9 5.554 9.502 -10.892 1.00 13.23 H new ATOM 0 HB2 TYR A 9 7.339 8.634 -8.615 1.00 41.13 H new ATOM 0 HB3 TYR A 9 8.150 8.968 -10.132 1.00 41.13 H new ATOM 0 HD1 TYR A 9 6.605 11.256 -11.185 1.00 60.20 H new ATOM 0 HD2 TYR A 9 7.879 10.418 -7.207 1.00 35.15 H new ATOM 0 HE1 TYR A 9 6.581 13.731 -10.649 1.00 31.12 H new ATOM 0 HE2 TYR A 9 7.847 12.895 -6.682 1.00 64.12 H new ATOM 0 HH TYR A 9 7.471 14.875 -7.429 1.00 55.32 H new ATOM 153 N PRO A 10 6.713 8.035 -12.554 1.00 44.34 N ATOM 154 CA PRO A 10 7.125 7.101 -13.588 1.00 60.02 C ATOM 155 C PRO A 10 8.580 6.671 -13.391 1.00 42.21 C ATOM 156 O PRO A 10 9.288 7.228 -12.553 1.00 52.44 O ATOM 157 CB PRO A 10 6.895 7.837 -14.898 1.00 2.20 C ATOM 158 CG PRO A 10 6.805 9.311 -14.537 1.00 45.15 C ATOM 159 CD PRO A 10 6.628 9.413 -13.031 1.00 63.43 C ATOM 0 HA PRO A 10 6.557 6.171 -13.564 1.00 60.02 H new ATOM 0 HB2 PRO A 10 7.711 7.655 -15.597 1.00 2.20 H new ATOM 0 HB3 PRO A 10 5.979 7.497 -15.382 1.00 2.20 H new ATOM 0 HG2 PRO A 10 7.707 9.837 -14.852 1.00 45.15 H new ATOM 0 HG3 PRO A 10 5.967 9.780 -15.052 1.00 45.15 H new ATOM 0 HD2 PRO A 10 7.402 10.036 -12.583 1.00 63.43 H new ATOM 0 HD3 PRO A 10 5.669 9.863 -12.774 1.00 63.43 H new ATOM 167 N PHE A 11 8.984 5.684 -14.177 1.00 73.11 N ATOM 168 CA PHE A 11 10.342 5.173 -14.100 1.00 12.03 C ATOM 169 C PHE A 11 11.350 6.224 -14.568 1.00 65.10 C ATOM 170 O PHE A 11 12.288 6.556 -13.844 1.00 60.42 O ATOM 171 CB PHE A 11 10.417 3.961 -15.030 1.00 23.31 C ATOM 172 CG PHE A 11 11.828 3.651 -15.535 1.00 51.13 C ATOM 173 CD1 PHE A 11 12.871 3.616 -14.663 1.00 15.53 C ATOM 174 CD2 PHE A 11 12.039 3.411 -16.857 1.00 60.41 C ATOM 175 CE1 PHE A 11 14.180 3.329 -15.132 1.00 14.22 C ATOM 176 CE2 PHE A 11 13.348 3.123 -17.326 1.00 42.32 C ATOM 177 CZ PHE A 11 14.391 3.089 -16.454 1.00 31.34 C ATOM 0 H PHE A 11 8.394 5.224 -14.871 1.00 73.11 H new ATOM 0 HA PHE A 11 10.583 4.911 -13.070 1.00 12.03 H new ATOM 0 HB2 PHE A 11 10.030 3.088 -14.504 1.00 23.31 H new ATOM 0 HB3 PHE A 11 9.765 4.132 -15.887 1.00 23.31 H new ATOM 0 HD1 PHE A 11 12.703 3.807 -13.613 1.00 15.53 H new ATOM 0 HD2 PHE A 11 11.211 3.439 -17.550 1.00 60.41 H new ATOM 0 HE1 PHE A 11 15.008 3.301 -14.439 1.00 14.22 H new ATOM 0 HE2 PHE A 11 13.515 2.931 -18.376 1.00 42.32 H new ATOM 0 HZ PHE A 11 15.387 2.871 -16.811 1.00 31.34 H new ATOM 187 N GLU A 12 11.124 6.718 -15.776 1.00 54.50 N ATOM 188 CA GLU A 12 12.001 7.725 -16.350 1.00 31.15 C ATOM 189 C GLU A 12 12.278 8.831 -15.330 1.00 13.24 C ATOM 190 O GLU A 12 13.424 9.236 -15.143 1.00 41.25 O ATOM 191 CB GLU A 12 11.407 8.301 -17.636 1.00 54.40 C ATOM 192 CG GLU A 12 12.509 8.771 -18.587 1.00 43.01 C ATOM 193 CD GLU A 12 11.925 9.575 -19.750 1.00 75.44 C ATOM 194 OE1 GLU A 12 12.676 10.049 -20.615 1.00 55.44 O ATOM 195 OE2 GLU A 12 10.640 9.698 -19.737 1.00 64.40 O ATOM 0 H GLU A 12 10.346 6.440 -16.374 1.00 54.50 H new ATOM 0 HA GLU A 12 12.948 7.250 -16.608 1.00 31.15 H new ATOM 0 HB2 GLU A 12 10.795 7.545 -18.128 1.00 54.40 H new ATOM 0 HB3 GLU A 12 10.749 9.136 -17.395 1.00 54.40 H new ATOM 0 HG2 GLU A 12 13.228 9.383 -18.042 1.00 43.01 H new ATOM 0 HG3 GLU A 12 13.053 7.909 -18.973 1.00 43.01 H new ATOM 203 N LYS A 13 11.208 9.289 -14.696 1.00 21.34 N ATOM 204 CA LYS A 13 11.321 10.340 -13.699 1.00 44.32 C ATOM 205 C LYS A 13 12.537 10.067 -12.811 1.00 71.33 C ATOM 206 O LYS A 13 13.542 10.772 -12.894 1.00 35.44 O ATOM 207 CB LYS A 13 10.012 10.485 -12.922 1.00 33.04 C ATOM 208 CG LYS A 13 9.789 11.935 -12.488 1.00 1.24 C ATOM 209 CD LYS A 13 10.356 12.182 -11.088 1.00 63.02 C ATOM 210 CE LYS A 13 10.177 13.644 -10.674 1.00 21.10 C ATOM 211 NZ LYS A 13 11.039 13.963 -9.514 1.00 42.32 N ATOM 0 H LYS A 13 10.259 8.951 -14.854 1.00 21.34 H new ATOM 0 HA LYS A 13 11.487 11.304 -14.180 1.00 44.32 H new ATOM 0 HB2 LYS A 13 9.179 10.155 -13.542 1.00 33.04 H new ATOM 0 HB3 LYS A 13 10.032 9.838 -12.045 1.00 33.04 H new ATOM 0 HG2 LYS A 13 10.264 12.609 -13.201 1.00 1.24 H new ATOM 0 HG3 LYS A 13 8.723 12.161 -12.498 1.00 1.24 H new ATOM 0 HD2 LYS A 13 9.856 11.533 -10.369 1.00 63.02 H new ATOM 0 HD3 LYS A 13 11.414 11.922 -11.069 1.00 63.02 H new ATOM 0 HE2 LYS A 13 10.425 14.298 -11.510 1.00 21.10 H new ATOM 0 HE3 LYS A 13 9.133 13.832 -10.422 1.00 21.10 H new ATOM 0 HZ1 LYS A 13 10.905 14.959 -9.246 1.00 42.32 H new ATOM 0 HZ2 LYS A 13 10.783 13.351 -8.713 1.00 42.32 H new ATOM 0 HZ3 LYS A 13 12.035 13.803 -9.767 1.00 42.32 H new ATOM 224 N ARG A 14 12.405 9.041 -11.982 1.00 44.45 N ATOM 225 CA ARG A 14 13.481 8.666 -11.080 1.00 74.00 C ATOM 226 C ARG A 14 14.800 8.549 -11.846 1.00 0.42 C ATOM 227 O ARG A 14 15.737 9.305 -11.593 1.00 42.13 O ATOM 228 CB ARG A 14 13.180 7.334 -10.390 1.00 2.14 C ATOM 229 CG ARG A 14 13.770 7.303 -8.978 1.00 51.01 C ATOM 230 CD ARG A 14 12.867 8.045 -7.990 1.00 60.23 C ATOM 231 NE ARG A 14 13.239 9.477 -7.942 1.00 35.50 N ATOM 232 CZ ARG A 14 14.267 9.968 -7.219 1.00 22.43 C ATOM 233 NH1 ARG A 14 15.037 9.144 -6.475 1.00 52.25 N ATOM 234 NH2 ARG A 14 14.509 11.265 -7.249 1.00 22.20 N ATOM 0 H ARG A 14 11.570 8.459 -11.916 1.00 44.45 H new ATOM 0 HA ARG A 14 13.566 9.445 -10.322 1.00 74.00 H new ATOM 0 HB2 ARG A 14 12.102 7.181 -10.341 1.00 2.14 H new ATOM 0 HB3 ARG A 14 13.592 6.514 -10.978 1.00 2.14 H new ATOM 0 HG2 ARG A 14 13.896 6.270 -8.655 1.00 51.01 H new ATOM 0 HG3 ARG A 14 14.760 7.758 -8.984 1.00 51.01 H new ATOM 0 HD2 ARG A 14 11.824 7.941 -8.289 1.00 60.23 H new ATOM 0 HD3 ARG A 14 12.959 7.603 -6.998 1.00 60.23 H new ATOM 0 HE ARG A 14 12.683 10.134 -8.490 1.00 35.50 H new ATOM 0 HH11 ARG A 14 14.843 8.143 -6.457 1.00 52.25 H new ATOM 0 HH12 ARG A 14 15.812 9.523 -5.931 1.00 52.25 H new ATOM 0 HH21 ARG A 14 13.923 11.880 -7.813 1.00 22.20 H new ATOM 0 HH22 ARG A 14 15.282 11.652 -6.708 1.00 22.20 H new ATOM 247 N LYS A 15 14.831 7.597 -12.766 1.00 61.21 N ATOM 248 CA LYS A 15 16.020 7.372 -13.570 1.00 62.33 C ATOM 249 C LYS A 15 16.630 8.720 -13.960 1.00 21.25 C ATOM 250 O LYS A 15 17.845 8.835 -14.111 1.00 63.34 O ATOM 251 CB LYS A 15 15.696 6.475 -14.767 1.00 31.12 C ATOM 252 CG LYS A 15 16.735 6.645 -15.877 1.00 52.21 C ATOM 253 CD LYS A 15 16.768 5.418 -16.790 1.00 22.43 C ATOM 254 CE LYS A 15 17.505 5.725 -18.095 1.00 23.42 C ATOM 255 NZ LYS A 15 17.632 4.501 -18.918 1.00 41.44 N ATOM 0 H LYS A 15 14.052 6.972 -12.973 1.00 61.21 H new ATOM 0 HA LYS A 15 16.773 6.835 -12.993 1.00 62.33 H new ATOM 0 HB2 LYS A 15 15.667 5.433 -14.448 1.00 31.12 H new ATOM 0 HB3 LYS A 15 14.705 6.719 -15.151 1.00 31.12 H new ATOM 0 HG2 LYS A 15 16.503 7.533 -16.464 1.00 52.21 H new ATOM 0 HG3 LYS A 15 17.720 6.802 -15.437 1.00 52.21 H new ATOM 0 HD2 LYS A 15 17.259 4.591 -16.277 1.00 22.43 H new ATOM 0 HD3 LYS A 15 15.750 5.097 -17.010 1.00 22.43 H new ATOM 0 HE2 LYS A 15 16.966 6.491 -18.653 1.00 23.42 H new ATOM 0 HE3 LYS A 15 18.494 6.127 -17.875 1.00 23.42 H new ATOM 0 HZ1 LYS A 15 18.134 4.726 -19.800 1.00 41.44 H new ATOM 0 HZ2 LYS A 15 18.166 3.781 -18.390 1.00 41.44 H new ATOM 0 HZ3 LYS A 15 16.685 4.134 -19.143 1.00 41.44 H new ATOM 268 N ALA A 16 15.758 9.706 -14.110 1.00 5.21 N ATOM 269 CA ALA A 16 16.196 11.042 -14.479 1.00 20.24 C ATOM 270 C ALA A 16 17.101 11.599 -13.378 1.00 11.30 C ATOM 271 O ALA A 16 18.250 11.954 -13.635 1.00 25.43 O ATOM 272 CB ALA A 16 14.974 11.927 -14.733 1.00 45.23 C ATOM 0 H ALA A 16 14.751 9.607 -13.983 1.00 5.21 H new ATOM 0 HA ALA A 16 16.777 11.015 -15.401 1.00 20.24 H new ATOM 0 HB1 ALA A 16 15.302 12.929 -15.010 1.00 45.23 H new ATOM 0 HB2 ALA A 16 14.380 11.503 -15.542 1.00 45.23 H new ATOM 0 HB3 ALA A 16 14.369 11.980 -13.828 1.00 45.23 H new ATOM 278 N GLU A 17 16.548 11.660 -12.176 1.00 31.35 N ATOM 279 CA GLU A 17 17.291 12.168 -11.035 1.00 14.12 C ATOM 280 C GLU A 17 18.732 11.656 -11.069 1.00 31.43 C ATOM 281 O GLU A 17 19.655 12.361 -10.665 1.00 11.13 O ATOM 282 CB GLU A 17 16.605 11.789 -9.721 1.00 32.02 C ATOM 283 CG GLU A 17 16.704 12.926 -8.702 1.00 45.22 C ATOM 284 CD GLU A 17 15.471 13.830 -8.767 1.00 25.22 C ATOM 285 OE1 GLU A 17 15.588 15.051 -8.585 1.00 74.03 O ATOM 286 OE2 GLU A 17 14.362 13.221 -9.017 1.00 10.10 O ATOM 0 H GLU A 17 15.594 11.366 -11.967 1.00 31.35 H new ATOM 0 HA GLU A 17 17.312 13.256 -11.095 1.00 14.12 H new ATOM 0 HB2 GLU A 17 15.557 11.554 -9.908 1.00 32.02 H new ATOM 0 HB3 GLU A 17 17.065 10.889 -9.313 1.00 32.02 H new ATOM 0 HG2 GLU A 17 16.803 12.512 -7.699 1.00 45.22 H new ATOM 0 HG3 GLU A 17 17.601 13.514 -8.894 1.00 45.22 H new ATOM 294 N SER A 18 18.880 10.432 -11.555 1.00 32.14 N ATOM 295 CA SER A 18 20.193 9.817 -11.647 1.00 20.15 C ATOM 296 C SER A 18 21.040 10.545 -12.692 1.00 52.03 C ATOM 297 O SER A 18 22.190 10.893 -12.432 1.00 5.12 O ATOM 298 CB SER A 18 20.082 8.331 -11.994 1.00 42.13 C ATOM 299 OG SER A 18 21.346 7.674 -11.939 1.00 53.35 O ATOM 0 H SER A 18 18.112 9.850 -11.889 1.00 32.14 H new ATOM 0 HA SER A 18 20.678 9.900 -10.675 1.00 20.15 H new ATOM 0 HB2 SER A 18 19.392 7.848 -11.302 1.00 42.13 H new ATOM 0 HB3 SER A 18 19.660 8.223 -12.993 1.00 42.13 H new ATOM 0 HG SER A 18 21.233 6.727 -12.165 1.00 53.35 H new ATOM 305 N GLU A 19 20.437 10.754 -13.854 1.00 25.22 N ATOM 306 CA GLU A 19 21.122 11.434 -14.940 1.00 52.21 C ATOM 307 C GLU A 19 21.741 12.741 -14.441 1.00 40.43 C ATOM 308 O GLU A 19 22.834 13.116 -14.864 1.00 73.13 O ATOM 309 CB GLU A 19 20.172 11.690 -16.112 1.00 31.31 C ATOM 310 CG GLU A 19 19.767 10.377 -16.786 1.00 14.15 C ATOM 311 CD GLU A 19 20.896 9.843 -17.669 1.00 53.13 C ATOM 312 OE1 GLU A 19 20.690 8.880 -18.423 1.00 3.01 O ATOM 313 OE2 GLU A 19 22.019 10.466 -17.555 1.00 2.45 O ATOM 0 H GLU A 19 19.482 10.464 -14.066 1.00 25.22 H new ATOM 0 HA GLU A 19 21.924 10.789 -15.299 1.00 52.21 H new ATOM 0 HB2 GLU A 19 19.282 12.210 -15.757 1.00 31.31 H new ATOM 0 HB3 GLU A 19 20.654 12.343 -16.840 1.00 31.31 H new ATOM 0 HG2 GLU A 19 19.514 9.637 -16.027 1.00 14.15 H new ATOM 0 HG3 GLU A 19 18.873 10.534 -17.389 1.00 14.15 H new ATOM 321 N ARG A 20 21.016 13.400 -13.549 1.00 21.31 N ATOM 322 CA ARG A 20 21.481 14.657 -12.988 1.00 14.10 C ATOM 323 C ARG A 20 22.526 14.399 -11.901 1.00 14.44 C ATOM 324 O ARG A 20 23.499 15.142 -11.781 1.00 55.52 O ATOM 325 CB ARG A 20 20.320 15.456 -12.391 1.00 42.13 C ATOM 326 CG ARG A 20 19.228 15.699 -13.435 1.00 42.40 C ATOM 327 CD ARG A 20 17.943 16.204 -12.776 1.00 52.02 C ATOM 328 NE ARG A 20 18.216 17.445 -12.018 1.00 23.15 N ATOM 329 CZ ARG A 20 17.264 18.315 -11.621 1.00 55.54 C ATOM 330 NH1 ARG A 20 15.965 18.087 -11.909 1.00 55.34 N ATOM 331 NH2 ARG A 20 17.621 19.393 -10.948 1.00 42.24 N ATOM 0 H ARG A 20 20.110 13.087 -13.201 1.00 21.31 H new ATOM 0 HA ARG A 20 21.928 15.236 -13.796 1.00 14.10 H new ATOM 0 HB2 ARG A 20 19.902 14.917 -11.541 1.00 42.13 H new ATOM 0 HB3 ARG A 20 20.687 16.411 -12.014 1.00 42.13 H new ATOM 0 HG2 ARG A 20 19.576 16.427 -14.168 1.00 42.40 H new ATOM 0 HG3 ARG A 20 19.025 14.775 -13.976 1.00 42.40 H new ATOM 0 HD2 ARG A 20 17.185 16.392 -13.536 1.00 52.02 H new ATOM 0 HD3 ARG A 20 17.543 15.441 -12.108 1.00 52.02 H new ATOM 0 HE ARG A 20 19.185 17.656 -11.781 1.00 23.15 H new ATOM 0 HH11 ARG A 20 15.697 17.252 -12.430 1.00 55.34 H new ATOM 0 HH12 ARG A 20 15.251 18.750 -11.605 1.00 55.34 H new ATOM 0 HH21 ARG A 20 18.605 19.559 -10.735 1.00 42.24 H new ATOM 0 HH22 ARG A 20 16.913 20.060 -10.641 1.00 42.24 H new ATOM 344 N ILE A 21 22.289 13.344 -11.135 1.00 50.04 N ATOM 345 CA ILE A 21 23.198 12.979 -10.062 1.00 13.01 C ATOM 346 C ILE A 21 24.516 12.485 -10.661 1.00 51.13 C ATOM 347 O ILE A 21 25.547 12.489 -9.991 1.00 30.14 O ATOM 348 CB ILE A 21 22.536 11.973 -9.118 1.00 72.35 C ATOM 349 CG1 ILE A 21 21.602 12.678 -8.132 1.00 62.34 C ATOM 350 CG2 ILE A 21 23.585 11.119 -8.404 1.00 22.11 C ATOM 351 CD1 ILE A 21 20.576 11.701 -7.555 1.00 73.12 C ATOM 0 H ILE A 21 21.481 12.730 -11.236 1.00 50.04 H new ATOM 0 HA ILE A 21 23.433 13.849 -9.449 1.00 13.01 H new ATOM 0 HB ILE A 21 21.923 11.297 -9.714 1.00 72.35 H new ATOM 0 HG12 ILE A 21 22.186 13.118 -7.323 1.00 62.34 H new ATOM 0 HG13 ILE A 21 21.087 13.497 -8.635 1.00 62.34 H new ATOM 0 HG21 ILE A 21 23.088 10.413 -7.739 1.00 22.11 H new ATOM 0 HG22 ILE A 21 24.172 10.572 -9.142 1.00 22.11 H new ATOM 0 HG23 ILE A 21 24.244 11.763 -7.822 1.00 22.11 H new ATOM 0 HD11 ILE A 21 19.925 12.227 -6.857 1.00 73.12 H new ATOM 0 HD12 ILE A 21 19.978 11.282 -8.364 1.00 73.12 H new ATOM 0 HD13 ILE A 21 21.093 10.897 -7.032 1.00 73.12 H new ATOM 363 N ALA A 22 24.440 12.072 -11.918 1.00 34.42 N ATOM 364 CA ALA A 22 25.614 11.576 -12.615 1.00 71.41 C ATOM 365 C ALA A 22 26.396 12.757 -13.191 1.00 44.35 C ATOM 366 O ALA A 22 27.614 12.681 -13.352 1.00 14.40 O ATOM 367 CB ALA A 22 25.184 10.579 -13.694 1.00 4.14 C ATOM 0 H ALA A 22 23.583 12.071 -12.472 1.00 34.42 H new ATOM 0 HA ALA A 22 26.274 11.047 -11.927 1.00 71.41 H new ATOM 0 HB1 ALA A 22 26.065 10.207 -14.217 1.00 4.14 H new ATOM 0 HB2 ALA A 22 24.658 9.745 -13.230 1.00 4.14 H new ATOM 0 HB3 ALA A 22 24.522 11.075 -14.405 1.00 4.14 H new ATOM 373 N ASP A 23 25.666 13.822 -13.487 1.00 55.11 N ATOM 374 CA ASP A 23 26.276 15.018 -14.042 1.00 51.22 C ATOM 375 C ASP A 23 26.916 15.830 -12.914 1.00 35.22 C ATOM 376 O ASP A 23 27.769 16.680 -13.163 1.00 14.24 O ATOM 377 CB ASP A 23 25.232 15.902 -14.727 1.00 52.21 C ATOM 378 CG ASP A 23 25.749 16.707 -15.921 1.00 71.13 C ATOM 379 OD1 ASP A 23 26.229 17.840 -15.768 1.00 62.22 O ATOM 380 OD2 ASP A 23 25.642 16.117 -17.064 1.00 23.25 O ATOM 0 H ASP A 23 24.657 13.882 -13.353 1.00 55.11 H new ATOM 0 HA ASP A 23 27.022 14.707 -14.774 1.00 51.22 H new ATOM 0 HB2 ASP A 23 24.408 15.272 -15.062 1.00 52.21 H new ATOM 0 HB3 ASP A 23 24.825 16.594 -13.990 1.00 52.21 H new ATOM 386 N ARG A 24 26.479 15.538 -11.697 1.00 53.44 N ATOM 387 CA ARG A 24 26.998 16.230 -10.530 1.00 50.40 C ATOM 388 C ARG A 24 27.895 15.297 -9.715 1.00 34.44 C ATOM 389 O ARG A 24 29.080 15.570 -9.534 1.00 63.23 O ATOM 390 CB ARG A 24 25.862 16.740 -9.641 1.00 73.02 C ATOM 391 CG ARG A 24 26.382 17.739 -8.606 1.00 15.51 C ATOM 392 CD ARG A 24 26.923 19.000 -9.284 1.00 62.51 C ATOM 393 NE ARG A 24 26.866 20.143 -8.347 1.00 12.34 N ATOM 394 CZ ARG A 24 27.266 21.395 -8.655 1.00 10.23 C ATOM 395 NH1 ARG A 24 27.757 21.675 -9.881 1.00 1.44 N ATOM 396 NH2 ARG A 24 27.170 22.341 -7.739 1.00 50.43 N ATOM 0 H ARG A 24 25.772 14.832 -11.495 1.00 53.44 H new ATOM 0 HA ARG A 24 27.579 17.083 -10.882 1.00 50.40 H new ATOM 0 HB2 ARG A 24 25.098 17.214 -10.257 1.00 73.02 H new ATOM 0 HB3 ARG A 24 25.387 15.900 -9.134 1.00 73.02 H new ATOM 0 HG2 ARG A 24 25.579 18.007 -7.919 1.00 15.51 H new ATOM 0 HG3 ARG A 24 27.169 17.275 -8.011 1.00 15.51 H new ATOM 0 HD2 ARG A 24 27.951 18.836 -9.608 1.00 62.51 H new ATOM 0 HD3 ARG A 24 26.339 19.222 -10.177 1.00 62.51 H new ATOM 0 HE ARG A 24 26.502 19.975 -7.409 1.00 12.34 H new ATOM 0 HH11 ARG A 24 27.828 20.938 -10.583 1.00 1.44 H new ATOM 0 HH12 ARG A 24 28.057 22.624 -10.106 1.00 1.44 H new ATOM 0 HH21 ARG A 24 26.798 22.120 -6.815 1.00 50.43 H new ATOM 0 HH22 ARG A 24 27.468 23.292 -7.955 1.00 50.43 H new ATOM 409 N PHE A 25 27.294 14.214 -9.243 1.00 71.24 N ATOM 410 CA PHE A 25 28.023 13.238 -8.451 1.00 43.13 C ATOM 411 C PHE A 25 27.905 11.839 -9.060 1.00 12.24 C ATOM 412 O PHE A 25 27.162 10.999 -8.554 1.00 53.50 O ATOM 413 CB PHE A 25 27.391 13.231 -7.058 1.00 64.30 C ATOM 414 CG PHE A 25 26.873 14.596 -6.603 1.00 1.44 C ATOM 415 CD1 PHE A 25 27.741 15.528 -6.123 1.00 73.41 C ATOM 416 CD2 PHE A 25 25.545 14.879 -6.677 1.00 50.12 C ATOM 417 CE1 PHE A 25 27.260 16.795 -5.700 1.00 72.14 C ATOM 418 CE2 PHE A 25 25.064 16.147 -6.254 1.00 70.54 C ATOM 419 CZ PHE A 25 25.932 17.078 -5.775 1.00 34.31 C ATOM 0 H PHE A 25 26.310 13.991 -9.394 1.00 71.24 H new ATOM 0 HA PHE A 25 29.080 13.501 -8.417 1.00 43.13 H new ATOM 0 HB2 PHE A 25 26.566 12.519 -7.048 1.00 64.30 H new ATOM 0 HB3 PHE A 25 28.128 12.875 -6.338 1.00 64.30 H new ATOM 0 HD1 PHE A 25 28.796 15.304 -6.064 1.00 73.41 H new ATOM 0 HD2 PHE A 25 24.856 14.140 -7.057 1.00 50.12 H new ATOM 0 HE1 PHE A 25 27.949 17.534 -5.319 1.00 72.14 H new ATOM 0 HE2 PHE A 25 24.009 16.372 -6.313 1.00 70.54 H new ATOM 0 HZ PHE A 25 25.567 18.042 -5.454 1.00 34.31 H new ATOM 429 N PRO A 26 28.668 11.626 -10.165 1.00 4.43 N ATOM 430 CA PRO A 26 28.656 10.344 -10.847 1.00 61.32 C ATOM 431 C PRO A 26 29.444 9.295 -10.059 1.00 13.43 C ATOM 432 O PRO A 26 29.547 8.145 -10.481 1.00 22.44 O ATOM 433 CB PRO A 26 29.247 10.623 -12.220 1.00 21.45 C ATOM 434 CG PRO A 26 29.994 11.941 -12.092 1.00 35.41 C ATOM 435 CD PRO A 26 29.560 12.598 -10.791 1.00 63.55 C ATOM 0 HA PRO A 26 27.654 9.925 -10.937 1.00 61.32 H new ATOM 0 HB2 PRO A 26 29.919 9.821 -12.526 1.00 21.45 H new ATOM 0 HB3 PRO A 26 28.465 10.689 -12.976 1.00 21.45 H new ATOM 0 HG2 PRO A 26 31.071 11.771 -12.093 1.00 35.41 H new ATOM 0 HG3 PRO A 26 29.772 12.589 -12.940 1.00 35.41 H new ATOM 0 HD2 PRO A 26 30.416 12.818 -10.153 1.00 63.55 H new ATOM 0 HD3 PRO A 26 29.049 13.543 -10.976 1.00 63.55 H new ATOM 443 N ASN A 27 29.979 9.731 -8.928 1.00 34.04 N ATOM 444 CA ASN A 27 30.754 8.844 -8.076 1.00 54.52 C ATOM 445 C ASN A 27 29.899 8.416 -6.881 1.00 43.52 C ATOM 446 O ASN A 27 30.413 7.849 -5.918 1.00 53.30 O ATOM 447 CB ASN A 27 32.000 9.549 -7.538 1.00 25.13 C ATOM 448 CG ASN A 27 33.173 9.409 -8.511 1.00 33.31 C ATOM 449 OD1 ASN A 27 34.205 8.837 -8.201 1.00 43.44 O ATOM 450 ND2 ASN A 27 32.956 9.961 -9.701 1.00 63.45 N ATOM 0 H ASN A 27 29.891 10.686 -8.582 1.00 34.04 H new ATOM 0 HA ASN A 27 31.056 7.982 -8.671 1.00 54.52 H new ATOM 0 HB2 ASN A 27 31.783 10.605 -7.374 1.00 25.13 H new ATOM 0 HB3 ASN A 27 32.273 9.126 -6.571 1.00 25.13 H new ATOM 0 HD21 ASN A 27 33.677 9.921 -10.421 1.00 63.45 H new ATOM 0 HD22 ASN A 27 32.068 10.425 -9.894 1.00 63.45 H new ATOM 457 N ARG A 28 28.610 8.705 -6.983 1.00 21.52 N ATOM 458 CA ARG A 28 27.680 8.356 -5.922 1.00 54.54 C ATOM 459 C ARG A 28 26.851 7.134 -6.323 1.00 51.43 C ATOM 460 O ARG A 28 26.999 6.615 -7.429 1.00 15.44 O ATOM 461 CB ARG A 28 26.739 9.522 -5.611 1.00 11.13 C ATOM 462 CG ARG A 28 27.457 10.605 -4.802 1.00 74.30 C ATOM 463 CD ARG A 28 28.887 10.807 -5.305 1.00 42.13 C ATOM 464 NE ARG A 28 29.476 12.014 -4.684 1.00 42.41 N ATOM 465 CZ ARG A 28 30.802 12.211 -4.520 1.00 53.32 C ATOM 466 NH1 ARG A 28 31.689 11.280 -4.931 1.00 14.11 N ATOM 467 NH2 ARG A 28 31.217 13.328 -3.952 1.00 64.11 N ATOM 0 H ARG A 28 28.188 9.176 -7.783 1.00 21.52 H new ATOM 0 HA ARG A 28 28.264 8.126 -5.031 1.00 54.54 H new ATOM 0 HB2 ARG A 28 26.362 9.948 -6.541 1.00 11.13 H new ATOM 0 HB3 ARG A 28 25.876 9.159 -5.053 1.00 11.13 H new ATOM 0 HG2 ARG A 28 26.906 11.543 -4.874 1.00 74.30 H new ATOM 0 HG3 ARG A 28 27.474 10.326 -3.749 1.00 74.30 H new ATOM 0 HD2 ARG A 28 29.492 9.933 -5.066 1.00 42.13 H new ATOM 0 HD3 ARG A 28 28.889 10.909 -6.390 1.00 42.13 H new ATOM 0 HE ARG A 28 28.841 12.743 -4.359 1.00 42.41 H new ATOM 0 HH11 ARG A 28 31.359 10.420 -5.369 1.00 14.11 H new ATOM 0 HH12 ARG A 28 32.689 11.437 -4.803 1.00 14.11 H new ATOM 0 HH21 ARG A 28 30.540 14.026 -3.645 1.00 64.11 H new ATOM 0 HH22 ARG A 28 32.215 13.493 -3.820 1.00 64.11 H new ATOM 480 N ILE A 29 25.997 6.710 -5.403 1.00 4.30 N ATOM 481 CA ILE A 29 25.145 5.559 -5.647 1.00 21.04 C ATOM 482 C ILE A 29 23.818 5.747 -4.909 1.00 20.03 C ATOM 483 O ILE A 29 23.689 5.360 -3.748 1.00 53.43 O ATOM 484 CB ILE A 29 25.875 4.265 -5.280 1.00 13.11 C ATOM 485 CG1 ILE A 29 27.322 4.292 -5.776 1.00 10.33 C ATOM 486 CG2 ILE A 29 25.115 3.042 -5.797 1.00 33.24 C ATOM 487 CD1 ILE A 29 28.040 2.983 -5.443 1.00 61.23 C ATOM 0 H ILE A 29 25.877 7.143 -4.487 1.00 4.30 H new ATOM 0 HA ILE A 29 24.911 5.476 -6.708 1.00 21.04 H new ATOM 0 HB ILE A 29 25.909 4.188 -4.193 1.00 13.11 H new ATOM 0 HG12 ILE A 29 27.338 4.456 -6.854 1.00 10.33 H new ATOM 0 HG13 ILE A 29 27.851 5.128 -5.319 1.00 10.33 H new ATOM 0 HG21 ILE A 29 25.655 2.136 -5.523 1.00 33.24 H new ATOM 0 HG22 ILE A 29 24.119 3.019 -5.355 1.00 33.24 H new ATOM 0 HG23 ILE A 29 25.029 3.099 -6.882 1.00 33.24 H new ATOM 0 HD11 ILE A 29 29.067 3.028 -5.806 1.00 61.23 H new ATOM 0 HD12 ILE A 29 28.044 2.834 -4.363 1.00 61.23 H new ATOM 0 HD13 ILE A 29 27.522 2.152 -5.922 1.00 61.23 H new ATOM 499 N PRO A 30 22.840 6.357 -5.631 1.00 61.41 N ATOM 500 CA PRO A 30 21.528 6.601 -5.057 1.00 73.44 C ATOM 501 C PRO A 30 20.713 5.307 -4.981 1.00 44.53 C ATOM 502 O PRO A 30 20.058 4.925 -5.949 1.00 72.31 O ATOM 503 CB PRO A 30 20.894 7.650 -5.957 1.00 21.53 C ATOM 504 CG PRO A 30 21.681 7.614 -7.257 1.00 34.20 C ATOM 505 CD PRO A 30 22.958 6.828 -7.008 1.00 35.11 C ATOM 0 HA PRO A 30 21.579 6.956 -4.028 1.00 73.44 H new ATOM 0 HB2 PRO A 30 19.841 7.430 -6.132 1.00 21.53 H new ATOM 0 HB3 PRO A 30 20.941 8.638 -5.499 1.00 21.53 H new ATOM 0 HG2 PRO A 30 21.093 7.146 -8.046 1.00 34.20 H new ATOM 0 HG3 PRO A 30 21.914 8.625 -7.590 1.00 34.20 H new ATOM 0 HD2 PRO A 30 23.053 5.995 -7.705 1.00 35.11 H new ATOM 0 HD3 PRO A 30 23.840 7.454 -7.138 1.00 35.11 H new ATOM 513 N VAL A 31 20.782 4.670 -3.822 1.00 13.22 N ATOM 514 CA VAL A 31 20.059 3.428 -3.607 1.00 11.24 C ATOM 515 C VAL A 31 18.632 3.745 -3.156 1.00 13.43 C ATOM 516 O VAL A 31 18.419 4.646 -2.345 1.00 74.14 O ATOM 517 CB VAL A 31 20.818 2.546 -2.613 1.00 12.41 C ATOM 518 CG1 VAL A 31 19.878 1.545 -1.940 1.00 34.51 C ATOM 519 CG2 VAL A 31 21.985 1.830 -3.296 1.00 12.23 C ATOM 0 H VAL A 31 21.327 4.990 -3.022 1.00 13.22 H new ATOM 0 HA VAL A 31 19.988 2.862 -4.536 1.00 11.24 H new ATOM 0 HB VAL A 31 21.229 3.192 -1.837 1.00 12.41 H new ATOM 0 HG11 VAL A 31 20.443 0.931 -1.239 1.00 34.51 H new ATOM 0 HG12 VAL A 31 19.097 2.083 -1.404 1.00 34.51 H new ATOM 0 HG13 VAL A 31 19.424 0.906 -2.698 1.00 34.51 H new ATOM 0 HG21 VAL A 31 22.508 1.210 -2.568 1.00 12.23 H new ATOM 0 HG22 VAL A 31 21.605 1.202 -4.101 1.00 12.23 H new ATOM 0 HG23 VAL A 31 22.675 2.568 -3.706 1.00 12.23 H new ATOM 529 N ILE A 32 17.691 2.988 -3.700 1.00 70.32 N ATOM 530 CA ILE A 32 16.290 3.177 -3.364 1.00 21.30 C ATOM 531 C ILE A 32 15.794 1.970 -2.565 1.00 64.42 C ATOM 532 O ILE A 32 15.426 0.948 -3.142 1.00 74.13 O ATOM 533 CB ILE A 32 15.470 3.459 -4.624 1.00 71.14 C ATOM 534 CG1 ILE A 32 15.447 4.956 -4.940 1.00 32.12 C ATOM 535 CG2 ILE A 32 14.060 2.877 -4.503 1.00 22.10 C ATOM 536 CD1 ILE A 32 16.812 5.594 -4.673 1.00 72.41 C ATOM 0 H ILE A 32 17.871 2.242 -4.372 1.00 70.32 H new ATOM 0 HA ILE A 32 16.166 4.054 -2.728 1.00 21.30 H new ATOM 0 HB ILE A 32 15.953 2.960 -5.464 1.00 71.14 H new ATOM 0 HG12 ILE A 32 15.169 5.107 -5.983 1.00 32.12 H new ATOM 0 HG13 ILE A 32 14.687 5.448 -4.333 1.00 32.12 H new ATOM 0 HG21 ILE A 32 13.498 3.092 -5.412 1.00 22.10 H new ATOM 0 HG22 ILE A 32 14.123 1.798 -4.362 1.00 22.10 H new ATOM 0 HG23 ILE A 32 13.553 3.326 -3.649 1.00 22.10 H new ATOM 0 HD11 ILE A 32 16.768 6.658 -4.906 1.00 72.41 H new ATOM 0 HD12 ILE A 32 17.076 5.463 -3.624 1.00 72.41 H new ATOM 0 HD13 ILE A 32 17.566 5.116 -5.299 1.00 72.41 H new ATOM 548 N CYS A 33 15.802 2.127 -1.250 1.00 13.42 N ATOM 549 CA CYS A 33 15.357 1.063 -0.366 1.00 4.12 C ATOM 550 C CYS A 33 13.836 1.153 -0.233 1.00 31.12 C ATOM 551 O CYS A 33 13.261 2.232 -0.363 1.00 15.30 O ATOM 552 CB CYS A 33 16.054 1.130 0.995 1.00 62.14 C ATOM 553 SG CYS A 33 16.076 -0.528 1.768 1.00 23.34 S ATOM 0 H CYS A 33 16.110 2.975 -0.775 1.00 13.42 H new ATOM 0 HA CYS A 33 15.627 0.097 -0.792 1.00 4.12 H new ATOM 0 HB2 CYS A 33 17.073 1.497 0.873 1.00 62.14 H new ATOM 0 HB3 CYS A 33 15.536 1.836 1.644 1.00 62.14 H new ATOM 0 HG CYS A 33 17.003 -0.570 2.678 1.00 23.34 H new ATOM 559 N GLU A 34 13.228 0.004 0.025 1.00 54.51 N ATOM 560 CA GLU A 34 11.784 -0.060 0.177 1.00 71.10 C ATOM 561 C GLU A 34 11.418 -0.832 1.446 1.00 31.12 C ATOM 562 O GLU A 34 11.769 -2.002 1.588 1.00 74.50 O ATOM 563 CB GLU A 34 11.130 -0.689 -1.055 1.00 24.20 C ATOM 564 CG GLU A 34 11.334 0.188 -2.292 1.00 22.10 C ATOM 565 CD GLU A 34 12.556 -0.268 -3.093 1.00 35.54 C ATOM 566 OE1 GLU A 34 13.602 -0.578 -2.504 1.00 61.31 O ATOM 567 OE2 GLU A 34 12.390 -0.296 -4.372 1.00 32.24 O ATOM 0 H GLU A 34 13.709 -0.889 0.133 1.00 54.51 H new ATOM 0 HA GLU A 34 11.403 0.957 0.271 1.00 71.10 H new ATOM 0 HB2 GLU A 34 11.554 -1.677 -1.232 1.00 24.20 H new ATOM 0 HB3 GLU A 34 10.064 -0.827 -0.875 1.00 24.20 H new ATOM 0 HG2 GLU A 34 10.446 0.146 -2.922 1.00 22.10 H new ATOM 0 HG3 GLU A 34 11.461 1.227 -1.988 1.00 22.10 H new ATOM 575 N LYS A 35 10.717 -0.145 2.337 1.00 65.41 N ATOM 576 CA LYS A 35 10.300 -0.752 3.590 1.00 61.04 C ATOM 577 C LYS A 35 9.852 -2.192 3.330 1.00 44.22 C ATOM 578 O LYS A 35 9.186 -2.468 2.334 1.00 61.35 O ATOM 579 CB LYS A 35 9.236 0.109 4.273 1.00 22.15 C ATOM 580 CG LYS A 35 8.308 -0.749 5.136 1.00 40.20 C ATOM 581 CD LYS A 35 9.095 -1.487 6.221 1.00 73.54 C ATOM 582 CE LYS A 35 8.621 -1.078 7.617 1.00 50.15 C ATOM 583 NZ LYS A 35 7.816 -2.159 8.228 1.00 11.34 N ATOM 0 H LYS A 35 10.428 0.826 2.216 1.00 65.41 H new ATOM 0 HA LYS A 35 11.136 -0.799 4.288 1.00 61.04 H new ATOM 0 HB2 LYS A 35 9.718 0.866 4.892 1.00 22.15 H new ATOM 0 HB3 LYS A 35 8.652 0.638 3.520 1.00 22.15 H new ATOM 0 HG2 LYS A 35 7.549 -0.118 5.598 1.00 40.20 H new ATOM 0 HG3 LYS A 35 7.784 -1.470 4.508 1.00 40.20 H new ATOM 0 HD2 LYS A 35 8.976 -2.563 6.093 1.00 73.54 H new ATOM 0 HD3 LYS A 35 10.158 -1.269 6.116 1.00 73.54 H new ATOM 0 HE2 LYS A 35 9.481 -0.855 8.249 1.00 50.15 H new ATOM 0 HE3 LYS A 35 8.027 -0.166 7.553 1.00 50.15 H new ATOM 0 HZ1 LYS A 35 7.446 -1.840 9.146 1.00 11.34 H new ATOM 0 HZ2 LYS A 35 7.023 -2.399 7.599 1.00 11.34 H new ATOM 0 HZ3 LYS A 35 8.413 -2.999 8.369 1.00 11.34 H new ATOM 596 N ALA A 36 10.236 -3.071 4.243 1.00 25.15 N ATOM 597 CA ALA A 36 9.883 -4.476 4.126 1.00 51.52 C ATOM 598 C ALA A 36 8.727 -4.788 5.079 1.00 45.32 C ATOM 599 O ALA A 36 8.902 -4.778 6.296 1.00 3.33 O ATOM 600 CB ALA A 36 11.116 -5.338 4.403 1.00 43.53 C ATOM 0 H ALA A 36 10.789 -2.838 5.068 1.00 25.15 H new ATOM 0 HA ALA A 36 9.547 -4.704 3.114 1.00 51.52 H new ATOM 0 HB1 ALA A 36 10.851 -6.392 4.315 1.00 43.53 H new ATOM 0 HB2 ALA A 36 11.897 -5.099 3.681 1.00 43.53 H new ATOM 0 HB3 ALA A 36 11.480 -5.139 5.411 1.00 43.53 H new ATOM 606 N GLU A 37 7.572 -5.058 4.489 1.00 44.32 N ATOM 607 CA GLU A 37 6.388 -5.372 5.270 1.00 24.32 C ATOM 608 C GLU A 37 6.714 -6.433 6.323 1.00 31.24 C ATOM 609 O GLU A 37 6.271 -6.334 7.467 1.00 61.33 O ATOM 610 CB GLU A 37 5.241 -5.830 4.367 1.00 2.03 C ATOM 611 CG GLU A 37 5.522 -7.216 3.783 1.00 4.04 C ATOM 612 CD GLU A 37 4.399 -7.652 2.840 1.00 2.14 C ATOM 613 OE1 GLU A 37 3.255 -7.834 3.282 1.00 71.41 O ATOM 614 OE2 GLU A 37 4.749 -7.800 1.608 1.00 51.25 O ATOM 0 H GLU A 37 7.431 -5.066 3.479 1.00 44.32 H new ATOM 0 HA GLU A 37 6.063 -4.466 5.783 1.00 24.32 H new ATOM 0 HB2 GLU A 37 4.312 -5.853 4.937 1.00 2.03 H new ATOM 0 HB3 GLU A 37 5.101 -5.112 3.559 1.00 2.03 H new ATOM 0 HG2 GLU A 37 6.469 -7.202 3.244 1.00 4.04 H new ATOM 0 HG3 GLU A 37 5.625 -7.941 4.591 1.00 4.04 H new ATOM 622 N LYS A 38 7.485 -7.424 5.900 1.00 2.04 N ATOM 623 CA LYS A 38 7.875 -8.502 6.793 1.00 61.30 C ATOM 624 C LYS A 38 8.389 -7.910 8.107 1.00 62.32 C ATOM 625 O LYS A 38 8.153 -8.468 9.178 1.00 54.55 O ATOM 626 CB LYS A 38 8.876 -9.432 6.104 1.00 31.43 C ATOM 627 CG LYS A 38 8.215 -10.194 4.954 1.00 74.02 C ATOM 628 CD LYS A 38 7.601 -11.506 5.446 1.00 22.51 C ATOM 629 CE LYS A 38 8.382 -12.710 4.914 1.00 11.11 C ATOM 630 NZ LYS A 38 7.553 -13.935 4.978 1.00 3.41 N ATOM 0 H LYS A 38 7.850 -7.503 4.951 1.00 2.04 H new ATOM 0 HA LYS A 38 7.014 -9.124 7.039 1.00 61.30 H new ATOM 0 HB2 LYS A 38 9.716 -8.851 5.724 1.00 31.43 H new ATOM 0 HB3 LYS A 38 9.279 -10.139 6.829 1.00 31.43 H new ATOM 0 HG2 LYS A 38 7.442 -9.574 4.500 1.00 74.02 H new ATOM 0 HG3 LYS A 38 8.953 -10.402 4.179 1.00 74.02 H new ATOM 0 HD2 LYS A 38 7.597 -11.524 6.536 1.00 22.51 H new ATOM 0 HD3 LYS A 38 6.562 -11.570 5.122 1.00 22.51 H new ATOM 0 HE2 LYS A 38 8.690 -12.525 3.885 1.00 11.11 H new ATOM 0 HE3 LYS A 38 9.291 -12.848 5.499 1.00 11.11 H new ATOM 0 HZ1 LYS A 38 8.166 -14.773 4.911 1.00 3.41 H new ATOM 0 HZ2 LYS A 38 7.034 -13.956 5.879 1.00 3.41 H new ATOM 0 HZ3 LYS A 38 6.876 -13.938 4.189 1.00 3.41 H new ATOM 643 N SER A 39 9.083 -6.789 7.982 1.00 41.51 N ATOM 644 CA SER A 39 9.633 -6.115 9.146 1.00 14.22 C ATOM 645 C SER A 39 8.501 -5.538 10.000 1.00 62.52 C ATOM 646 O SER A 39 7.461 -5.146 9.474 1.00 13.45 O ATOM 647 CB SER A 39 10.604 -5.007 8.734 1.00 52.10 C ATOM 648 OG SER A 39 9.999 -3.718 8.791 1.00 55.02 O ATOM 0 H SER A 39 9.277 -6.330 7.092 1.00 41.51 H new ATOM 0 HA SER A 39 10.187 -6.846 9.734 1.00 14.22 H new ATOM 0 HB2 SER A 39 11.476 -5.027 9.388 1.00 52.10 H new ATOM 0 HB3 SER A 39 10.961 -5.196 7.721 1.00 52.10 H new ATOM 0 HG SER A 39 10.410 -3.134 8.120 1.00 55.02 H new ATOM 654 N ASP A 40 8.743 -5.506 11.302 1.00 20.30 N ATOM 655 CA ASP A 40 7.757 -4.985 12.234 1.00 44.44 C ATOM 656 C ASP A 40 8.167 -3.575 12.666 1.00 33.20 C ATOM 657 O ASP A 40 7.627 -3.037 13.631 1.00 20.04 O ATOM 658 CB ASP A 40 7.669 -5.857 13.487 1.00 12.24 C ATOM 659 CG ASP A 40 6.998 -7.217 13.283 1.00 10.41 C ATOM 660 OD1 ASP A 40 7.640 -8.270 13.406 1.00 31.40 O ATOM 661 OD2 ASP A 40 5.745 -7.166 12.981 1.00 32.43 O ATOM 0 H ASP A 40 9.608 -5.832 11.734 1.00 20.30 H new ATOM 0 HA ASP A 40 6.789 -4.977 11.733 1.00 44.44 H new ATOM 0 HB2 ASP A 40 8.677 -6.020 13.870 1.00 12.24 H new ATOM 0 HB3 ASP A 40 7.121 -5.310 14.254 1.00 12.24 H new ATOM 667 N ILE A 41 9.117 -3.018 11.930 1.00 1.34 N ATOM 668 CA ILE A 41 9.605 -1.681 12.226 1.00 60.23 C ATOM 669 C ILE A 41 8.661 -0.650 11.605 1.00 42.45 C ATOM 670 O ILE A 41 7.868 -0.979 10.724 1.00 21.41 O ATOM 671 CB ILE A 41 11.060 -1.531 11.778 1.00 24.13 C ATOM 672 CG1 ILE A 41 11.142 -1.012 10.341 1.00 34.23 C ATOM 673 CG2 ILE A 41 11.827 -2.843 11.958 1.00 4.23 C ATOM 674 CD1 ILE A 41 12.596 -0.902 9.879 1.00 20.53 C ATOM 0 H ILE A 41 9.562 -3.467 11.130 1.00 1.34 H new ATOM 0 HA ILE A 41 9.607 -1.505 13.302 1.00 60.23 H new ATOM 0 HB ILE A 41 11.538 -0.788 12.416 1.00 24.13 H new ATOM 0 HG12 ILE A 41 10.596 -1.682 9.677 1.00 34.23 H new ATOM 0 HG13 ILE A 41 10.661 -0.036 10.275 1.00 34.23 H new ATOM 0 HG21 ILE A 41 12.858 -2.709 11.632 1.00 4.23 H new ATOM 0 HG22 ILE A 41 11.813 -3.131 13.009 1.00 4.23 H new ATOM 0 HG23 ILE A 41 11.356 -3.624 11.361 1.00 4.23 H new ATOM 0 HD11 ILE A 41 12.625 -0.531 8.855 1.00 20.53 H new ATOM 0 HD12 ILE A 41 13.134 -0.213 10.530 1.00 20.53 H new ATOM 0 HD13 ILE A 41 13.067 -1.884 9.923 1.00 20.53 H new ATOM 686 N PRO A 42 8.781 0.611 12.100 1.00 1.14 N ATOM 687 CA PRO A 42 7.948 1.693 11.604 1.00 42.04 C ATOM 688 C PRO A 42 8.416 2.155 10.222 1.00 74.22 C ATOM 689 O PRO A 42 9.613 2.171 9.941 1.00 1.31 O ATOM 690 CB PRO A 42 8.047 2.782 12.659 1.00 44.30 C ATOM 691 CG PRO A 42 9.290 2.461 13.474 1.00 50.43 C ATOM 692 CD PRO A 42 9.709 1.038 13.143 1.00 3.32 C ATOM 0 HA PRO A 42 6.911 1.392 11.458 1.00 42.04 H new ATOM 0 HB2 PRO A 42 8.126 3.767 12.198 1.00 44.30 H new ATOM 0 HB3 PRO A 42 7.159 2.796 13.291 1.00 44.30 H new ATOM 0 HG2 PRO A 42 10.092 3.160 13.238 1.00 50.43 H new ATOM 0 HG3 PRO A 42 9.084 2.560 14.540 1.00 50.43 H new ATOM 0 HD2 PRO A 42 10.741 1.000 12.794 1.00 3.32 H new ATOM 0 HD3 PRO A 42 9.645 0.392 14.019 1.00 3.32 H new ATOM 700 N GLU A 43 7.446 2.519 9.396 1.00 60.15 N ATOM 701 CA GLU A 43 7.743 2.980 8.050 1.00 62.10 C ATOM 702 C GLU A 43 8.510 4.303 8.099 1.00 20.14 C ATOM 703 O GLU A 43 8.644 4.907 9.162 1.00 4.23 O ATOM 704 CB GLU A 43 6.464 3.118 7.223 1.00 54.42 C ATOM 705 CG GLU A 43 6.781 3.170 5.727 1.00 54.31 C ATOM 706 CD GLU A 43 5.608 2.640 4.899 1.00 22.22 C ATOM 707 OE1 GLU A 43 4.600 3.342 4.731 1.00 20.03 O ATOM 708 OE2 GLU A 43 5.771 1.453 4.421 1.00 23.21 O ATOM 0 H GLU A 43 6.454 2.504 9.633 1.00 60.15 H new ATOM 0 HA GLU A 43 8.373 2.236 7.563 1.00 62.10 H new ATOM 0 HB2 GLU A 43 5.801 2.278 7.429 1.00 54.42 H new ATOM 0 HB3 GLU A 43 5.932 4.023 7.517 1.00 54.42 H new ATOM 0 HG2 GLU A 43 7.003 4.196 5.434 1.00 54.31 H new ATOM 0 HG3 GLU A 43 7.673 2.579 5.520 1.00 54.31 H new ATOM 716 N ILE A 44 8.993 4.714 6.936 1.00 11.01 N ATOM 717 CA ILE A 44 9.743 5.954 6.833 1.00 12.44 C ATOM 718 C ILE A 44 8.955 6.953 5.983 1.00 71.43 C ATOM 719 O ILE A 44 7.930 6.603 5.399 1.00 42.21 O ATOM 720 CB ILE A 44 11.156 5.684 6.314 1.00 43.53 C ATOM 721 CG1 ILE A 44 11.141 4.632 5.204 1.00 75.44 C ATOM 722 CG2 ILE A 44 12.096 5.298 7.457 1.00 23.22 C ATOM 723 CD1 ILE A 44 12.556 4.349 4.696 1.00 52.34 C ATOM 0 H ILE A 44 8.879 4.210 6.056 1.00 11.01 H new ATOM 0 HA ILE A 44 9.871 6.405 7.817 1.00 12.44 H new ATOM 0 HB ILE A 44 11.541 6.606 5.878 1.00 43.53 H new ATOM 0 HG12 ILE A 44 10.694 3.711 5.578 1.00 75.44 H new ATOM 0 HG13 ILE A 44 10.517 4.977 4.379 1.00 75.44 H new ATOM 0 HG21 ILE A 44 13.094 5.111 7.060 1.00 23.22 H new ATOM 0 HG22 ILE A 44 12.140 6.111 8.182 1.00 23.22 H new ATOM 0 HG23 ILE A 44 11.725 4.396 7.944 1.00 23.22 H new ATOM 0 HD11 ILE A 44 12.516 3.598 3.907 1.00 52.34 H new ATOM 0 HD12 ILE A 44 12.991 5.267 4.301 1.00 52.34 H new ATOM 0 HD13 ILE A 44 13.171 3.981 5.517 1.00 52.34 H new ATOM 735 N ASP A 45 9.463 8.175 5.940 1.00 43.35 N ATOM 736 CA ASP A 45 8.820 9.227 5.170 1.00 60.41 C ATOM 737 C ASP A 45 9.121 9.022 3.684 1.00 61.01 C ATOM 738 O ASP A 45 8.213 9.038 2.855 1.00 54.12 O ATOM 739 CB ASP A 45 9.346 10.605 5.573 1.00 4.35 C ATOM 740 CG ASP A 45 9.104 10.988 7.035 1.00 62.40 C ATOM 741 OD1 ASP A 45 8.585 12.074 7.334 1.00 65.45 O ATOM 742 OD2 ASP A 45 9.477 10.105 7.898 1.00 23.24 O ATOM 0 H ASP A 45 10.313 8.461 6.426 1.00 43.35 H new ATOM 0 HA ASP A 45 7.748 9.180 5.364 1.00 60.41 H new ATOM 0 HB2 ASP A 45 10.418 10.640 5.377 1.00 4.35 H new ATOM 0 HB3 ASP A 45 8.880 11.356 4.935 1.00 4.35 H new ATOM 748 N LYS A 46 10.400 8.834 3.392 1.00 12.34 N ATOM 749 CA LYS A 46 10.832 8.627 2.021 1.00 61.33 C ATOM 750 C LYS A 46 12.092 7.758 2.013 1.00 13.14 C ATOM 751 O LYS A 46 12.802 7.681 3.014 1.00 25.22 O ATOM 752 CB LYS A 46 11.006 9.968 1.305 1.00 74.31 C ATOM 753 CG LYS A 46 10.694 9.837 -0.187 1.00 41.04 C ATOM 754 CD LYS A 46 9.185 9.773 -0.429 1.00 33.41 C ATOM 755 CE LYS A 46 8.863 8.933 -1.667 1.00 12.31 C ATOM 756 NZ LYS A 46 8.875 7.491 -1.333 1.00 14.41 N ATOM 0 H LYS A 46 11.151 8.821 4.082 1.00 12.34 H new ATOM 0 HA LYS A 46 10.069 8.089 1.459 1.00 61.33 H new ATOM 0 HB2 LYS A 46 10.348 10.712 1.754 1.00 74.31 H new ATOM 0 HB3 LYS A 46 12.027 10.325 1.437 1.00 74.31 H new ATOM 0 HG2 LYS A 46 11.117 10.685 -0.726 1.00 41.04 H new ATOM 0 HG3 LYS A 46 11.168 8.939 -0.584 1.00 41.04 H new ATOM 0 HD2 LYS A 46 8.691 9.345 0.443 1.00 33.41 H new ATOM 0 HD3 LYS A 46 8.790 10.781 -0.556 1.00 33.41 H new ATOM 0 HE2 LYS A 46 7.886 9.213 -2.060 1.00 12.31 H new ATOM 0 HE3 LYS A 46 9.592 9.137 -2.451 1.00 12.31 H new ATOM 0 HZ1 LYS A 46 8.841 6.931 -2.209 1.00 14.41 H new ATOM 0 HZ2 LYS A 46 9.745 7.263 -0.810 1.00 14.41 H new ATOM 0 HZ3 LYS A 46 8.048 7.264 -0.745 1.00 14.41 H new ATOM 769 N ARG A 47 12.330 7.126 0.873 1.00 15.43 N ATOM 770 CA ARG A 47 13.491 6.266 0.723 1.00 50.45 C ATOM 771 C ARG A 47 14.439 6.835 -0.335 1.00 1.40 C ATOM 772 O ARG A 47 14.172 6.736 -1.531 1.00 72.45 O ATOM 773 CB ARG A 47 13.078 4.850 0.318 1.00 24.43 C ATOM 774 CG ARG A 47 12.089 4.879 -0.849 1.00 30.45 C ATOM 775 CD ARG A 47 10.653 4.691 -0.355 1.00 1.25 C ATOM 776 NE ARG A 47 10.366 3.251 -0.167 1.00 42.42 N ATOM 777 CZ ARG A 47 9.438 2.769 0.686 1.00 11.44 C ATOM 778 NH1 ARG A 47 8.698 3.610 1.440 1.00 54.23 N ATOM 779 NH2 ARG A 47 9.265 1.464 0.773 1.00 21.34 N ATOM 0 H ARG A 47 11.738 7.193 0.045 1.00 15.43 H new ATOM 0 HA ARG A 47 13.999 6.223 1.686 1.00 50.45 H new ATOM 0 HB2 ARG A 47 13.961 4.276 0.037 1.00 24.43 H new ATOM 0 HB3 ARG A 47 12.626 4.342 1.170 1.00 24.43 H new ATOM 0 HG2 ARG A 47 12.174 5.828 -1.379 1.00 30.45 H new ATOM 0 HG3 ARG A 47 12.338 4.093 -1.561 1.00 30.45 H new ATOM 0 HD2 ARG A 47 10.510 5.224 0.585 1.00 1.25 H new ATOM 0 HD3 ARG A 47 9.954 5.119 -1.073 1.00 1.25 H new ATOM 0 HE ARG A 47 10.904 2.581 -0.717 1.00 42.42 H new ATOM 0 HH11 ARG A 47 8.838 4.618 1.367 1.00 54.23 H new ATOM 0 HH12 ARG A 47 7.999 3.238 2.082 1.00 54.23 H new ATOM 0 HH21 ARG A 47 9.829 0.836 0.200 1.00 21.34 H new ATOM 0 HH22 ARG A 47 8.568 1.084 1.413 1.00 21.34 H new ATOM 792 N LYS A 48 15.527 7.420 0.145 1.00 61.43 N ATOM 793 CA LYS A 48 16.516 8.005 -0.744 1.00 63.45 C ATOM 794 C LYS A 48 17.853 8.117 -0.009 1.00 43.42 C ATOM 795 O LYS A 48 17.973 8.870 0.956 1.00 23.13 O ATOM 796 CB LYS A 48 16.010 9.334 -1.308 1.00 65.12 C ATOM 797 CG LYS A 48 16.975 9.886 -2.360 1.00 72.22 C ATOM 798 CD LYS A 48 16.307 10.979 -3.197 1.00 34.22 C ATOM 799 CE LYS A 48 17.345 11.773 -3.992 1.00 22.33 C ATOM 800 NZ LYS A 48 17.885 12.882 -3.175 1.00 4.41 N ATOM 0 H LYS A 48 15.745 7.501 1.138 1.00 61.43 H new ATOM 0 HA LYS A 48 16.680 7.361 -1.608 1.00 63.45 H new ATOM 0 HB2 LYS A 48 15.024 9.193 -1.752 1.00 65.12 H new ATOM 0 HB3 LYS A 48 15.896 10.056 -0.500 1.00 65.12 H new ATOM 0 HG2 LYS A 48 17.861 10.289 -1.870 1.00 72.22 H new ATOM 0 HG3 LYS A 48 17.310 9.078 -3.011 1.00 72.22 H new ATOM 0 HD2 LYS A 48 15.587 10.529 -3.880 1.00 34.22 H new ATOM 0 HD3 LYS A 48 15.751 11.652 -2.545 1.00 34.22 H new ATOM 0 HE2 LYS A 48 18.156 11.114 -4.303 1.00 22.33 H new ATOM 0 HE3 LYS A 48 16.891 12.170 -4.900 1.00 22.33 H new ATOM 0 HZ1 LYS A 48 18.588 13.411 -3.729 1.00 4.41 H new ATOM 0 HZ2 LYS A 48 17.111 13.519 -2.900 1.00 4.41 H new ATOM 0 HZ3 LYS A 48 18.336 12.496 -2.321 1.00 4.41 H new ATOM 813 N TYR A 49 18.825 7.358 -0.494 1.00 52.22 N ATOM 814 CA TYR A 49 20.149 7.363 0.105 1.00 54.41 C ATOM 815 C TYR A 49 21.236 7.459 -0.968 1.00 15.12 C ATOM 816 O TYR A 49 21.380 6.558 -1.792 1.00 23.50 O ATOM 817 CB TYR A 49 20.286 6.026 0.835 1.00 1.25 C ATOM 818 CG TYR A 49 19.037 5.613 1.617 1.00 64.22 C ATOM 819 CD1 TYR A 49 18.833 6.091 2.895 1.00 3.42 C ATOM 820 CD2 TYR A 49 18.115 4.761 1.043 1.00 1.35 C ATOM 821 CE1 TYR A 49 17.658 5.702 3.631 1.00 40.33 C ATOM 822 CE2 TYR A 49 16.940 4.372 1.779 1.00 52.21 C ATOM 823 CZ TYR A 49 16.769 4.862 3.036 1.00 22.02 C ATOM 824 OH TYR A 49 15.659 4.494 3.731 1.00 43.52 O ATOM 0 H TYR A 49 18.722 6.735 -1.295 1.00 52.22 H new ATOM 0 HA TYR A 49 20.266 8.217 0.772 1.00 54.41 H new ATOM 0 HB2 TYR A 49 20.520 5.249 0.107 1.00 1.25 H new ATOM 0 HB3 TYR A 49 21.130 6.084 1.522 1.00 1.25 H new ATOM 0 HD1 TYR A 49 19.555 6.757 3.344 1.00 3.42 H new ATOM 0 HD2 TYR A 49 18.275 4.386 0.043 1.00 1.35 H new ATOM 0 HE1 TYR A 49 17.487 6.069 4.632 1.00 40.33 H new ATOM 0 HE2 TYR A 49 16.211 3.706 1.342 1.00 52.21 H new ATOM 0 HH TYR A 49 15.114 3.893 3.182 1.00 43.52 H new ATOM 834 N LEU A 50 21.972 8.560 -0.922 1.00 73.34 N ATOM 835 CA LEU A 50 23.041 8.785 -1.880 1.00 60.21 C ATOM 836 C LEU A 50 24.389 8.541 -1.199 1.00 63.02 C ATOM 837 O LEU A 50 24.914 9.422 -0.519 1.00 74.32 O ATOM 838 CB LEU A 50 22.912 10.173 -2.510 1.00 44.22 C ATOM 839 CG LEU A 50 22.137 10.243 -3.827 1.00 71.23 C ATOM 840 CD1 LEU A 50 21.581 11.649 -4.063 1.00 24.33 C ATOM 841 CD2 LEU A 50 22.999 9.764 -4.997 1.00 72.31 C ATOM 0 H LEU A 50 21.849 9.305 -0.237 1.00 73.34 H new ATOM 0 HA LEU A 50 22.968 8.078 -2.706 1.00 60.21 H new ATOM 0 HB2 LEU A 50 22.427 10.833 -1.791 1.00 44.22 H new ATOM 0 HB3 LEU A 50 23.914 10.568 -2.680 1.00 44.22 H new ATOM 0 HG LEU A 50 21.284 9.567 -3.757 1.00 71.23 H new ATOM 0 HD11 LEU A 50 21.035 11.671 -5.006 1.00 24.33 H new ATOM 0 HD12 LEU A 50 20.909 11.916 -3.248 1.00 24.33 H new ATOM 0 HD13 LEU A 50 22.403 12.363 -4.104 1.00 24.33 H new ATOM 0 HD21 LEU A 50 22.424 9.824 -5.921 1.00 72.31 H new ATOM 0 HD22 LEU A 50 23.884 10.395 -5.079 1.00 72.31 H new ATOM 0 HD23 LEU A 50 23.304 8.732 -4.826 1.00 72.31 H new ATOM 853 N VAL A 51 24.912 7.341 -1.406 1.00 11.13 N ATOM 854 CA VAL A 51 26.189 6.970 -0.820 1.00 40.23 C ATOM 855 C VAL A 51 27.236 6.846 -1.929 1.00 23.33 C ATOM 856 O VAL A 51 26.899 6.566 -3.078 1.00 31.21 O ATOM 857 CB VAL A 51 26.035 5.690 0.003 1.00 21.03 C ATOM 858 CG1 VAL A 51 25.824 6.013 1.484 1.00 63.41 C ATOM 859 CG2 VAL A 51 24.895 4.824 -0.537 1.00 42.21 C ATOM 0 H VAL A 51 24.475 6.613 -1.971 1.00 11.13 H new ATOM 0 HA VAL A 51 26.533 7.742 -0.132 1.00 40.23 H new ATOM 0 HB VAL A 51 26.960 5.120 -0.088 1.00 21.03 H new ATOM 0 HG11 VAL A 51 25.717 5.086 2.047 1.00 63.41 H new ATOM 0 HG12 VAL A 51 26.682 6.570 1.861 1.00 63.41 H new ATOM 0 HG13 VAL A 51 24.922 6.614 1.600 1.00 63.41 H new ATOM 0 HG21 VAL A 51 24.807 3.920 0.066 1.00 42.21 H new ATOM 0 HG22 VAL A 51 23.960 5.383 -0.491 1.00 42.21 H new ATOM 0 HG23 VAL A 51 25.104 4.551 -1.571 1.00 42.21 H new ATOM 869 N PRO A 52 28.519 7.065 -1.535 1.00 2.45 N ATOM 870 CA PRO A 52 29.618 6.981 -2.481 1.00 60.34 C ATOM 871 C PRO A 52 29.936 5.524 -2.823 1.00 60.35 C ATOM 872 O PRO A 52 29.376 4.606 -2.227 1.00 32.35 O ATOM 873 CB PRO A 52 30.775 7.699 -1.806 1.00 63.35 C ATOM 874 CG PRO A 52 30.428 7.751 -0.328 1.00 14.33 C ATOM 875 CD PRO A 52 28.956 7.399 -0.182 1.00 42.10 C ATOM 0 HA PRO A 52 29.384 7.445 -3.439 1.00 60.34 H new ATOM 0 HB2 PRO A 52 31.713 7.167 -1.969 1.00 63.35 H new ATOM 0 HB3 PRO A 52 30.903 8.702 -2.213 1.00 63.35 H new ATOM 0 HG2 PRO A 52 31.046 7.050 0.234 1.00 14.33 H new ATOM 0 HG3 PRO A 52 30.625 8.744 0.076 1.00 14.33 H new ATOM 0 HD2 PRO A 52 28.815 6.559 0.498 1.00 42.10 H new ATOM 0 HD3 PRO A 52 28.387 8.236 0.223 1.00 42.10 H new ATOM 883 N ALA A 53 30.834 5.357 -3.783 1.00 3.00 N ATOM 884 CA ALA A 53 31.234 4.027 -4.212 1.00 12.35 C ATOM 885 C ALA A 53 32.410 3.553 -3.356 1.00 62.52 C ATOM 886 O ALA A 53 33.123 2.625 -3.735 1.00 63.24 O ATOM 887 CB ALA A 53 31.570 4.051 -5.704 1.00 1.21 C ATOM 0 H ALA A 53 31.296 6.121 -4.276 1.00 3.00 H new ATOM 0 HA ALA A 53 30.418 3.317 -4.074 1.00 12.35 H new ATOM 0 HB1 ALA A 53 31.870 3.054 -6.025 1.00 1.21 H new ATOM 0 HB2 ALA A 53 30.693 4.366 -6.269 1.00 1.21 H new ATOM 0 HB3 ALA A 53 32.387 4.750 -5.882 1.00 1.21 H new ATOM 893 N ASP A 54 32.577 4.210 -2.218 1.00 54.33 N ATOM 894 CA ASP A 54 33.654 3.867 -1.306 1.00 43.11 C ATOM 895 C ASP A 54 33.070 3.563 0.075 1.00 43.00 C ATOM 896 O ASP A 54 33.809 3.283 1.017 1.00 24.14 O ATOM 897 CB ASP A 54 34.640 5.027 -1.157 1.00 45.34 C ATOM 898 CG ASP A 54 35.578 4.928 0.048 1.00 42.55 C ATOM 899 OD1 ASP A 54 36.211 3.888 0.281 1.00 60.14 O ATOM 900 OD2 ASP A 54 35.647 5.993 0.774 1.00 72.54 O ATOM 0 H ASP A 54 31.984 4.979 -1.907 1.00 54.33 H new ATOM 0 HA ASP A 54 34.176 3.000 -1.711 1.00 43.11 H new ATOM 0 HB2 ASP A 54 35.243 5.091 -2.063 1.00 45.34 H new ATOM 0 HB3 ASP A 54 34.076 5.957 -1.084 1.00 45.34 H new ATOM 906 N LEU A 55 31.749 3.629 0.151 1.00 22.41 N ATOM 907 CA LEU A 55 31.058 3.364 1.401 1.00 35.22 C ATOM 908 C LEU A 55 30.612 1.900 1.433 1.00 42.35 C ATOM 909 O LEU A 55 30.431 1.280 0.386 1.00 44.22 O ATOM 910 CB LEU A 55 29.913 4.359 1.602 1.00 41.24 C ATOM 911 CG LEU A 55 28.882 3.989 2.670 1.00 52.54 C ATOM 912 CD1 LEU A 55 28.287 5.243 3.315 1.00 63.21 C ATOM 913 CD2 LEU A 55 27.800 3.073 2.094 1.00 42.44 C ATOM 0 H LEU A 55 31.139 3.862 -0.633 1.00 22.41 H new ATOM 0 HA LEU A 55 31.731 3.512 2.246 1.00 35.22 H new ATOM 0 HB2 LEU A 55 30.341 5.328 1.859 1.00 41.24 H new ATOM 0 HB3 LEU A 55 29.394 4.482 0.651 1.00 41.24 H new ATOM 0 HG LEU A 55 29.390 3.432 3.457 1.00 52.54 H new ATOM 0 HD11 LEU A 55 27.557 4.952 4.070 1.00 63.21 H new ATOM 0 HD12 LEU A 55 29.082 5.824 3.783 1.00 63.21 H new ATOM 0 HD13 LEU A 55 27.798 5.848 2.551 1.00 63.21 H new ATOM 0 HD21 LEU A 55 27.080 2.825 2.874 1.00 42.44 H new ATOM 0 HD22 LEU A 55 27.289 3.582 1.277 1.00 42.44 H new ATOM 0 HD23 LEU A 55 28.259 2.158 1.720 1.00 42.44 H new ATOM 925 N THR A 56 30.448 1.391 2.645 1.00 63.25 N ATOM 926 CA THR A 56 30.028 0.012 2.826 1.00 34.10 C ATOM 927 C THR A 56 28.537 -0.051 3.164 1.00 52.31 C ATOM 928 O THR A 56 27.953 0.941 3.597 1.00 55.32 O ATOM 929 CB THR A 56 30.920 -0.618 3.897 1.00 4.32 C ATOM 930 OG1 THR A 56 30.407 -0.104 5.123 1.00 32.11 O ATOM 931 CG2 THR A 56 32.356 -0.092 3.846 1.00 65.14 C ATOM 0 H THR A 56 30.598 1.909 3.511 1.00 63.25 H new ATOM 0 HA THR A 56 30.146 -0.561 1.906 1.00 34.10 H new ATOM 0 HB THR A 56 30.925 -1.701 3.774 1.00 4.32 H new ATOM 0 HG1 THR A 56 30.000 -0.832 5.638 1.00 32.11 H new ATOM 0 HG21 THR A 56 32.947 -0.571 4.627 1.00 65.14 H new ATOM 0 HG22 THR A 56 32.791 -0.316 2.872 1.00 65.14 H new ATOM 0 HG23 THR A 56 32.354 0.987 4.003 1.00 65.14 H new ATOM 939 N VAL A 57 27.964 -1.227 2.953 1.00 11.43 N ATOM 940 CA VAL A 57 26.552 -1.432 3.230 1.00 3.31 C ATOM 941 C VAL A 57 26.248 -0.986 4.662 1.00 53.34 C ATOM 942 O VAL A 57 25.261 -0.291 4.903 1.00 63.44 O ATOM 943 CB VAL A 57 26.174 -2.890 2.965 1.00 34.30 C ATOM 944 CG1 VAL A 57 24.723 -3.162 3.370 1.00 65.41 C ATOM 945 CG2 VAL A 57 26.413 -3.261 1.500 1.00 31.31 C ATOM 0 H VAL A 57 28.452 -2.048 2.594 1.00 11.43 H new ATOM 0 HA VAL A 57 25.939 -0.825 2.563 1.00 3.31 H new ATOM 0 HB VAL A 57 26.817 -3.520 3.579 1.00 34.30 H new ATOM 0 HG11 VAL A 57 24.479 -4.206 3.171 1.00 65.41 H new ATOM 0 HG12 VAL A 57 24.597 -2.956 4.433 1.00 65.41 H new ATOM 0 HG13 VAL A 57 24.058 -2.518 2.794 1.00 65.41 H new ATOM 0 HG21 VAL A 57 26.136 -4.303 1.339 1.00 31.31 H new ATOM 0 HG22 VAL A 57 25.807 -2.621 0.859 1.00 31.31 H new ATOM 0 HG23 VAL A 57 27.467 -3.124 1.257 1.00 31.31 H new ATOM 955 N GLY A 58 27.113 -1.403 5.574 1.00 10.31 N ATOM 956 CA GLY A 58 26.949 -1.055 6.975 1.00 11.23 C ATOM 957 C GLY A 58 26.490 0.397 7.130 1.00 71.42 C ATOM 958 O GLY A 58 25.457 0.663 7.742 1.00 74.24 O ATOM 0 H GLY A 58 27.930 -1.979 5.370 1.00 10.31 H new ATOM 0 HA2 GLY A 58 26.220 -1.722 7.436 1.00 11.23 H new ATOM 0 HA3 GLY A 58 27.892 -1.200 7.502 1.00 11.23 H new ATOM 962 N GLN A 59 27.281 1.297 6.565 1.00 54.04 N ATOM 963 CA GLN A 59 26.968 2.715 6.632 1.00 64.51 C ATOM 964 C GLN A 59 25.509 2.956 6.241 1.00 60.23 C ATOM 965 O GLN A 59 24.827 3.777 6.851 1.00 34.05 O ATOM 966 CB GLN A 59 27.915 3.527 5.746 1.00 11.01 C ATOM 967 CG GLN A 59 29.370 3.112 5.974 1.00 40.53 C ATOM 968 CD GLN A 59 30.320 4.284 5.719 1.00 43.33 C ATOM 969 OE1 GLN A 59 31.101 4.291 4.781 1.00 3.14 O ATOM 970 NE2 GLN A 59 30.210 5.272 6.602 1.00 5.15 N ATOM 0 H GLN A 59 28.138 1.072 6.059 1.00 54.04 H new ATOM 0 HA GLN A 59 27.108 3.050 7.660 1.00 64.51 H new ATOM 0 HB2 GLN A 59 27.652 3.383 4.698 1.00 11.01 H new ATOM 0 HB3 GLN A 59 27.798 4.589 5.960 1.00 11.01 H new ATOM 0 HG2 GLN A 59 29.494 2.754 6.996 1.00 40.53 H new ATOM 0 HG3 GLN A 59 29.623 2.283 5.313 1.00 40.53 H new ATOM 0 HE21 GLN A 59 29.535 5.202 7.364 1.00 5.15 H new ATOM 0 HE22 GLN A 59 30.800 6.100 6.517 1.00 5.15 H new ATOM 979 N PHE A 60 25.073 2.225 5.225 1.00 45.31 N ATOM 980 CA PHE A 60 23.708 2.350 4.745 1.00 34.30 C ATOM 981 C PHE A 60 22.708 1.912 5.817 1.00 13.45 C ATOM 982 O PHE A 60 21.585 2.413 5.866 1.00 43.31 O ATOM 983 CB PHE A 60 23.574 1.426 3.533 1.00 74.02 C ATOM 984 CG PHE A 60 22.586 1.925 2.476 1.00 14.14 C ATOM 985 CD1 PHE A 60 22.993 2.813 1.530 1.00 13.45 C ATOM 986 CD2 PHE A 60 21.300 1.480 2.483 1.00 4.44 C ATOM 987 CE1 PHE A 60 22.076 3.277 0.550 1.00 32.42 C ATOM 988 CE2 PHE A 60 20.383 1.944 1.503 1.00 25.30 C ATOM 989 CZ PHE A 60 20.791 2.832 0.557 1.00 14.01 C ATOM 0 H PHE A 60 25.642 1.544 4.721 1.00 45.31 H new ATOM 0 HA PHE A 60 23.497 3.389 4.491 1.00 34.30 H new ATOM 0 HB2 PHE A 60 24.554 1.305 3.071 1.00 74.02 H new ATOM 0 HB3 PHE A 60 23.258 0.440 3.874 1.00 74.02 H new ATOM 0 HD1 PHE A 60 24.014 3.165 1.524 1.00 13.45 H new ATOM 0 HD2 PHE A 60 20.977 0.774 3.234 1.00 4.44 H new ATOM 0 HE1 PHE A 60 22.399 3.983 -0.201 1.00 32.42 H new ATOM 0 HE2 PHE A 60 19.362 1.592 1.509 1.00 25.30 H new ATOM 0 HZ PHE A 60 20.094 3.184 -0.189 1.00 14.01 H new ATOM 999 N VAL A 61 23.151 0.983 6.651 1.00 62.22 N ATOM 1000 CA VAL A 61 22.309 0.472 7.719 1.00 3.55 C ATOM 1001 C VAL A 61 22.205 1.523 8.827 1.00 50.34 C ATOM 1002 O VAL A 61 21.323 1.445 9.680 1.00 0.15 O ATOM 1003 CB VAL A 61 22.851 -0.869 8.217 1.00 3.15 C ATOM 1004 CG1 VAL A 61 21.857 -1.545 9.164 1.00 2.50 C ATOM 1005 CG2 VAL A 61 23.203 -1.787 7.045 1.00 25.14 C ATOM 0 H VAL A 61 24.083 0.571 6.609 1.00 62.22 H new ATOM 0 HA VAL A 61 21.300 0.284 7.353 1.00 3.55 H new ATOM 0 HB VAL A 61 23.766 -0.674 8.776 1.00 3.15 H new ATOM 0 HG11 VAL A 61 22.267 -2.496 9.503 1.00 2.50 H new ATOM 0 HG12 VAL A 61 21.677 -0.900 10.024 1.00 2.50 H new ATOM 0 HG13 VAL A 61 20.917 -1.721 8.640 1.00 2.50 H new ATOM 0 HG21 VAL A 61 23.586 -2.734 7.426 1.00 25.14 H new ATOM 0 HG22 VAL A 61 22.311 -1.971 6.446 1.00 25.14 H new ATOM 0 HG23 VAL A 61 23.963 -1.311 6.426 1.00 25.14 H new ATOM 1015 N TYR A 62 23.118 2.482 8.776 1.00 12.23 N ATOM 1016 CA TYR A 62 23.140 3.547 9.764 1.00 14.43 C ATOM 1017 C TYR A 62 22.098 4.620 9.438 1.00 71.51 C ATOM 1018 O TYR A 62 21.157 4.829 10.202 1.00 3.23 O ATOM 1019 CB TYR A 62 24.536 4.168 9.684 1.00 15.42 C ATOM 1020 CG TYR A 62 25.084 4.642 11.032 1.00 62.15 C ATOM 1021 CD1 TYR A 62 25.279 3.736 12.054 1.00 31.33 C ATOM 1022 CD2 TYR A 62 25.385 5.975 11.224 1.00 15.04 C ATOM 1023 CE1 TYR A 62 25.795 4.181 13.322 1.00 4.45 C ATOM 1024 CE2 TYR A 62 25.901 6.421 12.493 1.00 60.44 C ATOM 1025 CZ TYR A 62 26.081 5.502 13.479 1.00 20.20 C ATOM 1026 OH TYR A 62 26.569 5.923 14.677 1.00 72.43 O ATOM 0 H TYR A 62 23.848 2.544 8.066 1.00 12.23 H new ATOM 0 HA TYR A 62 22.913 3.155 10.755 1.00 14.43 H new ATOM 0 HB2 TYR A 62 25.224 3.437 9.260 1.00 15.42 H new ATOM 0 HB3 TYR A 62 24.507 5.014 8.997 1.00 15.42 H new ATOM 0 HD1 TYR A 62 25.044 2.693 11.903 1.00 31.33 H new ATOM 0 HD2 TYR A 62 25.234 6.684 10.423 1.00 15.04 H new ATOM 0 HE1 TYR A 62 25.952 3.482 14.130 1.00 4.45 H new ATOM 0 HE2 TYR A 62 26.139 7.461 12.657 1.00 60.44 H new ATOM 0 HH TYR A 62 26.728 6.889 14.644 1.00 72.43 H new ATOM 1036 N VAL A 63 22.301 5.270 8.302 1.00 71.24 N ATOM 1037 CA VAL A 63 21.391 6.315 7.865 1.00 50.13 C ATOM 1038 C VAL A 63 19.949 5.856 8.089 1.00 53.22 C ATOM 1039 O VAL A 63 19.171 6.541 8.751 1.00 4.45 O ATOM 1040 CB VAL A 63 21.681 6.686 6.409 1.00 51.41 C ATOM 1041 CG1 VAL A 63 23.083 7.281 6.264 1.00 50.23 C ATOM 1042 CG2 VAL A 63 21.500 5.478 5.488 1.00 33.24 C ATOM 0 H VAL A 63 23.082 5.093 7.671 1.00 71.24 H new ATOM 0 HA VAL A 63 21.539 7.221 8.453 1.00 50.13 H new ATOM 0 HB VAL A 63 20.961 7.447 6.108 1.00 51.41 H new ATOM 0 HG11 VAL A 63 23.264 7.536 5.220 1.00 50.23 H new ATOM 0 HG12 VAL A 63 23.162 8.180 6.876 1.00 50.23 H new ATOM 0 HG13 VAL A 63 23.823 6.552 6.593 1.00 50.23 H new ATOM 0 HG21 VAL A 63 21.712 5.770 4.459 1.00 33.24 H new ATOM 0 HG22 VAL A 63 22.185 4.685 5.789 1.00 33.24 H new ATOM 0 HG23 VAL A 63 20.474 5.117 5.558 1.00 33.24 H new ATOM 1052 N ILE A 64 19.635 4.700 7.523 1.00 31.35 N ATOM 1053 CA ILE A 64 18.300 4.141 7.653 1.00 13.22 C ATOM 1054 C ILE A 64 17.882 4.166 9.125 1.00 62.30 C ATOM 1055 O ILE A 64 16.838 4.717 9.468 1.00 13.05 O ATOM 1056 CB ILE A 64 18.237 2.750 7.019 1.00 11.22 C ATOM 1057 CG1 ILE A 64 17.839 2.837 5.544 1.00 13.34 C ATOM 1058 CG2 ILE A 64 17.307 1.828 7.811 1.00 52.54 C ATOM 1059 CD1 ILE A 64 19.073 2.805 4.641 1.00 52.35 C ATOM 0 H ILE A 64 20.282 4.135 6.973 1.00 31.35 H new ATOM 0 HA ILE A 64 17.578 4.748 7.106 1.00 13.22 H new ATOM 0 HB ILE A 64 19.234 2.311 7.058 1.00 11.22 H new ATOM 0 HG12 ILE A 64 17.178 2.008 5.292 1.00 13.34 H new ATOM 0 HG13 ILE A 64 17.279 3.755 5.368 1.00 13.34 H new ATOM 0 HG21 ILE A 64 17.280 0.846 7.339 1.00 52.54 H new ATOM 0 HG22 ILE A 64 17.675 1.730 8.832 1.00 52.54 H new ATOM 0 HG23 ILE A 64 16.302 2.251 7.826 1.00 52.54 H new ATOM 0 HD11 ILE A 64 18.762 2.868 3.598 1.00 52.35 H new ATOM 0 HD12 ILE A 64 19.720 3.649 4.879 1.00 52.35 H new ATOM 0 HD13 ILE A 64 19.617 1.874 4.802 1.00 52.35 H new ATOM 1071 N ARG A 65 18.720 3.561 9.955 1.00 52.33 N ATOM 1072 CA ARG A 65 18.451 3.507 11.382 1.00 73.24 C ATOM 1073 C ARG A 65 18.001 4.878 11.890 1.00 43.22 C ATOM 1074 O ARG A 65 17.263 4.970 12.869 1.00 31.33 O ATOM 1075 CB ARG A 65 19.691 3.064 12.160 1.00 65.15 C ATOM 1076 CG ARG A 65 19.343 2.752 13.616 1.00 10.44 C ATOM 1077 CD ARG A 65 19.002 1.271 13.794 1.00 4.31 C ATOM 1078 NE ARG A 65 20.198 0.441 13.527 1.00 4.53 N ATOM 1079 CZ ARG A 65 21.231 0.303 14.386 1.00 13.33 C ATOM 1080 NH1 ARG A 65 21.222 0.940 15.577 1.00 54.35 N ATOM 1081 NH2 ARG A 65 22.249 -0.464 14.045 1.00 41.11 N ATOM 0 H ARG A 65 19.585 3.104 9.666 1.00 52.33 H new ATOM 0 HA ARG A 65 17.656 2.778 11.542 1.00 73.24 H new ATOM 0 HB2 ARG A 65 20.124 2.182 11.689 1.00 65.15 H new ATOM 0 HB3 ARG A 65 20.447 3.848 12.123 1.00 65.15 H new ATOM 0 HG2 ARG A 65 20.183 3.015 14.259 1.00 10.44 H new ATOM 0 HG3 ARG A 65 18.497 3.364 13.930 1.00 10.44 H new ATOM 0 HD2 ARG A 65 18.643 1.091 14.807 1.00 4.31 H new ATOM 0 HD3 ARG A 65 18.196 0.991 13.116 1.00 4.31 H new ATOM 0 HE ARG A 65 20.245 -0.058 12.639 1.00 4.53 H new ATOM 0 HH11 ARG A 65 20.431 1.531 15.833 1.00 54.35 H new ATOM 0 HH12 ARG A 65 22.006 0.830 16.220 1.00 54.35 H new ATOM 0 HH21 ARG A 65 22.248 -0.942 13.144 1.00 41.11 H new ATOM 0 HH22 ARG A 65 23.037 -0.579 14.682 1.00 41.11 H new ATOM 1094 N LYS A 66 18.466 5.910 11.201 1.00 54.41 N ATOM 1095 CA LYS A 66 18.121 7.273 11.570 1.00 34.33 C ATOM 1096 C LYS A 66 16.723 7.601 11.042 1.00 13.21 C ATOM 1097 O LYS A 66 15.918 8.212 11.744 1.00 51.13 O ATOM 1098 CB LYS A 66 19.202 8.246 11.096 1.00 15.35 C ATOM 1099 CG LYS A 66 20.592 7.770 11.521 1.00 44.15 C ATOM 1100 CD LYS A 66 20.776 7.893 13.034 1.00 2.54 C ATOM 1101 CE LYS A 66 20.795 9.361 13.467 1.00 60.04 C ATOM 1102 NZ LYS A 66 19.420 9.841 13.732 1.00 23.32 N ATOM 0 H LYS A 66 19.079 5.830 10.389 1.00 54.41 H new ATOM 0 HA LYS A 66 18.085 7.377 12.654 1.00 34.33 H new ATOM 0 HB2 LYS A 66 19.162 8.339 10.011 1.00 15.35 H new ATOM 0 HB3 LYS A 66 19.011 9.237 11.509 1.00 15.35 H new ATOM 0 HG2 LYS A 66 20.733 6.733 11.217 1.00 44.15 H new ATOM 0 HG3 LYS A 66 21.354 8.359 11.010 1.00 44.15 H new ATOM 0 HD2 LYS A 66 19.968 7.370 13.546 1.00 2.54 H new ATOM 0 HD3 LYS A 66 21.707 7.410 13.331 1.00 2.54 H new ATOM 0 HE2 LYS A 66 21.405 9.474 14.363 1.00 60.04 H new ATOM 0 HE3 LYS A 66 21.255 9.970 12.689 1.00 60.04 H new ATOM 0 HZ1 LYS A 66 19.140 10.517 12.993 1.00 23.32 H new ATOM 0 HZ2 LYS A 66 18.764 9.034 13.730 1.00 23.32 H new ATOM 0 HZ3 LYS A 66 19.389 10.310 14.660 1.00 23.32 H new ATOM 1115 N ARG A 67 16.477 7.181 9.810 1.00 52.32 N ATOM 1116 CA ARG A 67 15.190 7.423 9.180 1.00 41.34 C ATOM 1117 C ARG A 67 14.072 6.756 9.983 1.00 53.13 C ATOM 1118 O ARG A 67 12.921 7.186 9.927 1.00 52.52 O ATOM 1119 CB ARG A 67 15.169 6.887 7.747 1.00 42.23 C ATOM 1120 CG ARG A 67 15.555 7.979 6.747 1.00 3.21 C ATOM 1121 CD ARG A 67 14.316 8.717 6.236 1.00 45.33 C ATOM 1122 NE ARG A 67 14.716 9.981 5.577 1.00 1.14 N ATOM 1123 CZ ARG A 67 15.272 11.028 6.223 1.00 23.03 C ATOM 1124 NH1 ARG A 67 15.500 10.970 7.553 1.00 53.42 N ATOM 1125 NH2 ARG A 67 15.590 12.109 5.535 1.00 23.25 N ATOM 0 H ARG A 67 17.147 6.675 9.231 1.00 52.32 H new ATOM 0 HA ARG A 67 15.031 8.501 9.155 1.00 41.34 H new ATOM 0 HB2 ARG A 67 15.859 6.048 7.659 1.00 42.23 H new ATOM 0 HB3 ARG A 67 14.175 6.508 7.511 1.00 42.23 H new ATOM 0 HG2 ARG A 67 16.235 8.687 7.221 1.00 3.21 H new ATOM 0 HG3 ARG A 67 16.091 7.536 5.908 1.00 3.21 H new ATOM 0 HD2 ARG A 67 13.771 8.087 5.533 1.00 45.33 H new ATOM 0 HD3 ARG A 67 13.640 8.927 7.065 1.00 45.33 H new ATOM 0 HE ARG A 67 14.562 10.066 4.572 1.00 1.14 H new ATOM 0 HH11 ARG A 67 15.252 10.131 8.077 1.00 53.42 H new ATOM 0 HH12 ARG A 67 15.920 11.765 8.034 1.00 53.42 H new ATOM 0 HH21 ARG A 67 15.415 12.144 4.531 1.00 23.25 H new ATOM 0 HH22 ARG A 67 16.011 12.909 6.008 1.00 23.25 H new ATOM 1138 N ILE A 68 14.449 5.716 10.711 1.00 24.03 N ATOM 1139 CA ILE A 68 13.493 4.985 11.525 1.00 54.21 C ATOM 1140 C ILE A 68 13.819 5.200 13.004 1.00 34.13 C ATOM 1141 O ILE A 68 13.066 4.772 13.878 1.00 54.51 O ATOM 1142 CB ILE A 68 13.452 3.513 11.112 1.00 62.45 C ATOM 1143 CG1 ILE A 68 14.822 3.044 10.617 1.00 41.23 C ATOM 1144 CG2 ILE A 68 12.353 3.264 10.077 1.00 61.34 C ATOM 1145 CD1 ILE A 68 14.889 1.517 10.552 1.00 51.02 C ATOM 0 H ILE A 68 15.404 5.362 10.754 1.00 24.03 H new ATOM 0 HA ILE A 68 12.485 5.366 11.362 1.00 54.21 H new ATOM 0 HB ILE A 68 13.206 2.918 11.992 1.00 62.45 H new ATOM 0 HG12 ILE A 68 15.019 3.462 9.630 1.00 41.23 H new ATOM 0 HG13 ILE A 68 15.600 3.418 11.282 1.00 41.23 H new ATOM 0 HG21 ILE A 68 12.346 2.210 9.801 1.00 61.34 H new ATOM 0 HG22 ILE A 68 11.386 3.535 10.501 1.00 61.34 H new ATOM 0 HG23 ILE A 68 12.543 3.870 9.191 1.00 61.34 H new ATOM 0 HD11 ILE A 68 15.873 1.211 10.197 1.00 51.02 H new ATOM 0 HD12 ILE A 68 14.716 1.103 11.545 1.00 51.02 H new ATOM 0 HD13 ILE A 68 14.125 1.148 9.867 1.00 51.02 H new ATOM 1157 N MET A 69 14.942 5.862 13.240 1.00 52.03 N ATOM 1158 CA MET A 69 15.377 6.139 14.598 1.00 33.33 C ATOM 1159 C MET A 69 15.153 4.926 15.503 1.00 34.45 C ATOM 1160 O MET A 69 14.592 5.053 16.591 1.00 3.20 O ATOM 1161 CB MET A 69 14.601 7.337 15.149 1.00 72.12 C ATOM 1162 CG MET A 69 13.097 7.055 15.167 1.00 40.04 C ATOM 1163 SD MET A 69 12.245 8.342 16.063 1.00 2.21 S ATOM 1164 CE MET A 69 13.199 9.761 15.550 1.00 24.20 C ATOM 0 H MET A 69 15.564 6.215 12.513 1.00 52.03 H new ATOM 0 HA MET A 69 16.443 6.363 14.579 1.00 33.33 H new ATOM 0 HB2 MET A 69 14.944 7.564 16.158 1.00 72.12 H new ATOM 0 HB3 MET A 69 14.802 8.217 14.538 1.00 72.12 H new ATOM 0 HG2 MET A 69 12.717 6.998 14.147 1.00 40.04 H new ATOM 0 HG3 MET A 69 12.905 6.088 15.633 1.00 40.04 H new ATOM 0 HE1 MET A 69 12.680 10.674 15.843 1.00 24.20 H new ATOM 0 HE2 MET A 69 14.179 9.732 16.026 1.00 24.20 H new ATOM 0 HE3 MET A 69 13.321 9.745 14.467 1.00 24.20 H new ATOM 1174 N LEU A 70 15.602 3.776 15.021 1.00 0.41 N ATOM 1175 CA LEU A 70 15.458 2.541 15.773 1.00 13.50 C ATOM 1176 C LEU A 70 16.296 2.626 17.050 1.00 15.44 C ATOM 1177 O LEU A 70 17.166 3.487 17.170 1.00 10.11 O ATOM 1178 CB LEU A 70 15.797 1.336 14.894 1.00 50.10 C ATOM 1179 CG LEU A 70 14.632 0.728 14.110 1.00 11.32 C ATOM 1180 CD1 LEU A 70 15.135 -0.275 13.070 1.00 12.32 C ATOM 1181 CD2 LEU A 70 13.601 0.107 15.054 1.00 30.35 C ATOM 0 H LEU A 70 16.066 3.674 14.118 1.00 0.41 H new ATOM 0 HA LEU A 70 14.422 2.401 16.080 1.00 13.50 H new ATOM 0 HB2 LEU A 70 16.569 1.634 14.185 1.00 50.10 H new ATOM 0 HB3 LEU A 70 16.228 0.560 15.527 1.00 50.10 H new ATOM 0 HG LEU A 70 14.130 1.529 13.568 1.00 11.32 H new ATOM 0 HD11 LEU A 70 14.287 -0.692 12.527 1.00 12.32 H new ATOM 0 HD12 LEU A 70 15.801 0.230 12.370 1.00 12.32 H new ATOM 0 HD13 LEU A 70 15.676 -1.078 13.571 1.00 12.32 H new ATOM 0 HD21 LEU A 70 12.784 -0.318 14.471 1.00 30.35 H new ATOM 0 HD22 LEU A 70 14.074 -0.679 15.643 1.00 30.35 H new ATOM 0 HD23 LEU A 70 13.210 0.875 15.721 1.00 30.35 H new ATOM 1193 N PRO A 71 15.996 1.697 17.997 1.00 15.43 N ATOM 1194 CA PRO A 71 16.711 1.659 19.261 1.00 1.13 C ATOM 1195 C PRO A 71 18.113 1.073 19.080 1.00 33.35 C ATOM 1196 O PRO A 71 18.365 0.342 18.124 1.00 61.11 O ATOM 1197 CB PRO A 71 15.834 0.829 20.185 1.00 44.03 C ATOM 1198 CG PRO A 71 14.896 0.048 19.278 1.00 3.44 C ATOM 1199 CD PRO A 71 14.971 0.663 17.890 1.00 21.22 C ATOM 0 HA PRO A 71 16.879 2.651 19.679 1.00 1.13 H new ATOM 0 HB2 PRO A 71 16.436 0.157 20.796 1.00 44.03 H new ATOM 0 HB3 PRO A 71 15.275 1.467 20.870 1.00 44.03 H new ATOM 0 HG2 PRO A 71 15.183 -1.003 19.246 1.00 3.44 H new ATOM 0 HG3 PRO A 71 13.875 0.088 19.659 1.00 3.44 H new ATOM 0 HD2 PRO A 71 15.237 -0.082 17.141 1.00 21.22 H new ATOM 0 HD3 PRO A 71 14.012 1.086 17.592 1.00 21.22 H new ATOM 1207 N PRO A 72 19.011 1.424 20.039 1.00 33.05 N ATOM 1208 CA PRO A 72 20.380 0.940 19.995 1.00 2.54 C ATOM 1209 C PRO A 72 20.457 -0.529 20.413 1.00 35.44 C ATOM 1210 O PRO A 72 21.538 -1.115 20.442 1.00 72.02 O ATOM 1211 CB PRO A 72 21.153 1.863 20.924 1.00 62.02 C ATOM 1212 CG PRO A 72 20.113 2.532 21.808 1.00 70.14 C ATOM 1213 CD PRO A 72 18.747 2.288 21.187 1.00 63.51 C ATOM 0 HA PRO A 72 20.802 0.962 18.990 1.00 2.54 H new ATOM 0 HB2 PRO A 72 21.872 1.303 21.522 1.00 62.02 H new ATOM 0 HB3 PRO A 72 21.718 2.603 20.358 1.00 62.02 H new ATOM 0 HG2 PRO A 72 20.151 2.124 22.818 1.00 70.14 H new ATOM 0 HG3 PRO A 72 20.311 3.601 21.888 1.00 70.14 H new ATOM 0 HD2 PRO A 72 18.070 1.810 21.895 1.00 63.51 H new ATOM 0 HD3 PRO A 72 18.279 3.223 20.880 1.00 63.51 H new ATOM 1221 N GLU A 73 19.295 -1.083 20.727 1.00 34.33 N ATOM 1222 CA GLU A 73 19.216 -2.474 21.142 1.00 1.43 C ATOM 1223 C GLU A 73 18.725 -3.346 19.985 1.00 24.01 C ATOM 1224 O GLU A 73 18.848 -4.569 20.030 1.00 62.12 O ATOM 1225 CB GLU A 73 18.314 -2.630 22.368 1.00 54.13 C ATOM 1226 CG GLU A 73 16.840 -2.682 21.960 1.00 13.23 C ATOM 1227 CD GLU A 73 15.929 -2.607 23.187 1.00 33.13 C ATOM 1228 OE1 GLU A 73 15.338 -1.551 23.458 1.00 42.35 O ATOM 1229 OE2 GLU A 73 15.844 -3.698 23.871 1.00 43.22 O ATOM 0 H GLU A 73 18.400 -0.594 20.702 1.00 34.33 H new ATOM 0 HA GLU A 73 20.215 -2.807 21.423 1.00 1.43 H new ATOM 0 HB2 GLU A 73 18.579 -3.541 22.905 1.00 54.13 H new ATOM 0 HB3 GLU A 73 18.477 -1.797 23.052 1.00 54.13 H new ATOM 0 HG2 GLU A 73 16.616 -1.856 21.285 1.00 13.23 H new ATOM 0 HG3 GLU A 73 16.643 -3.603 21.412 1.00 13.23 H new ATOM 1237 N LYS A 74 18.180 -2.683 18.976 1.00 12.11 N ATOM 1238 CA LYS A 74 17.670 -3.383 17.809 1.00 1.32 C ATOM 1239 C LYS A 74 18.759 -3.435 16.735 1.00 33.24 C ATOM 1240 O LYS A 74 19.843 -2.883 16.918 1.00 72.40 O ATOM 1241 CB LYS A 74 16.364 -2.745 17.330 1.00 22.32 C ATOM 1242 CG LYS A 74 15.153 -3.447 17.948 1.00 12.31 C ATOM 1243 CD LYS A 74 13.957 -3.419 16.993 1.00 25.14 C ATOM 1244 CE LYS A 74 13.876 -4.712 16.180 1.00 72.22 C ATOM 1245 NZ LYS A 74 13.166 -5.762 16.944 1.00 14.34 N ATOM 0 H LYS A 74 18.080 -1.668 18.942 1.00 12.11 H new ATOM 0 HA LYS A 74 17.421 -4.414 18.061 1.00 1.32 H new ATOM 0 HB2 LYS A 74 16.352 -1.688 17.597 1.00 22.32 H new ATOM 0 HB3 LYS A 74 16.305 -2.800 16.243 1.00 22.32 H new ATOM 0 HG2 LYS A 74 15.409 -4.479 18.186 1.00 12.31 H new ATOM 0 HG3 LYS A 74 14.886 -2.960 18.886 1.00 12.31 H new ATOM 0 HD2 LYS A 74 13.036 -3.284 17.561 1.00 25.14 H new ATOM 0 HD3 LYS A 74 14.044 -2.566 16.320 1.00 25.14 H new ATOM 0 HE2 LYS A 74 13.358 -4.525 15.240 1.00 72.22 H new ATOM 0 HE3 LYS A 74 14.880 -5.054 15.928 1.00 72.22 H new ATOM 0 HZ1 LYS A 74 13.120 -6.633 16.377 1.00 14.34 H new ATOM 0 HZ2 LYS A 74 13.677 -5.952 17.830 1.00 14.34 H new ATOM 0 HZ3 LYS A 74 12.202 -5.440 17.163 1.00 14.34 H new ATOM 1258 N ALA A 75 18.432 -4.104 15.639 1.00 23.03 N ATOM 1259 CA ALA A 75 19.369 -4.236 14.536 1.00 11.12 C ATOM 1260 C ALA A 75 18.592 -4.456 13.237 1.00 72.03 C ATOM 1261 O ALA A 75 17.838 -5.420 13.116 1.00 60.52 O ATOM 1262 CB ALA A 75 20.347 -5.375 14.830 1.00 5.55 C ATOM 0 H ALA A 75 17.532 -4.560 15.491 1.00 23.03 H new ATOM 0 HA ALA A 75 19.956 -3.325 14.420 1.00 11.12 H new ATOM 0 HB1 ALA A 75 21.050 -5.474 14.003 1.00 5.55 H new ATOM 0 HB2 ALA A 75 20.894 -5.157 15.747 1.00 5.55 H new ATOM 0 HB3 ALA A 75 19.795 -6.307 14.950 1.00 5.55 H new ATOM 1268 N ILE A 76 18.802 -3.546 12.297 1.00 3.34 N ATOM 1269 CA ILE A 76 18.131 -3.628 11.011 1.00 20.33 C ATOM 1270 C ILE A 76 19.049 -4.325 10.005 1.00 23.24 C ATOM 1271 O ILE A 76 20.265 -4.143 10.039 1.00 3.43 O ATOM 1272 CB ILE A 76 17.664 -2.243 10.561 1.00 43.44 C ATOM 1273 CG1 ILE A 76 16.429 -2.345 9.664 1.00 71.12 C ATOM 1274 CG2 ILE A 76 18.802 -1.474 9.884 1.00 35.23 C ATOM 1275 CD1 ILE A 76 15.636 -1.037 9.671 1.00 11.43 C ATOM 0 H ILE A 76 19.428 -2.747 12.401 1.00 3.34 H new ATOM 0 HA ILE A 76 17.228 -4.233 11.091 1.00 20.33 H new ATOM 0 HB ILE A 76 17.373 -1.677 11.446 1.00 43.44 H new ATOM 0 HG12 ILE A 76 16.734 -2.584 8.645 1.00 71.12 H new ATOM 0 HG13 ILE A 76 15.793 -3.162 10.006 1.00 71.12 H new ATOM 0 HG21 ILE A 76 18.444 -0.493 9.573 1.00 35.23 H new ATOM 0 HG22 ILE A 76 19.628 -1.354 10.585 1.00 35.23 H new ATOM 0 HG23 ILE A 76 19.146 -2.028 9.010 1.00 35.23 H new ATOM 0 HD11 ILE A 76 14.763 -1.137 9.025 1.00 11.43 H new ATOM 0 HD12 ILE A 76 15.312 -0.814 10.687 1.00 11.43 H new ATOM 0 HD13 ILE A 76 16.267 -0.227 9.305 1.00 11.43 H new ATOM 1287 N PHE A 77 18.432 -5.109 9.134 1.00 63.51 N ATOM 1288 CA PHE A 77 19.179 -5.835 8.120 1.00 0.31 C ATOM 1289 C PHE A 77 18.789 -5.371 6.715 1.00 34.41 C ATOM 1290 O PHE A 77 17.643 -4.990 6.479 1.00 3.44 O ATOM 1291 CB PHE A 77 18.821 -7.314 8.274 1.00 24.31 C ATOM 1292 CG PHE A 77 19.263 -7.926 9.605 1.00 24.01 C ATOM 1293 CD1 PHE A 77 20.564 -8.273 9.795 1.00 25.21 C ATOM 1294 CD2 PHE A 77 18.355 -8.123 10.598 1.00 0.41 C ATOM 1295 CE1 PHE A 77 20.975 -8.841 11.030 1.00 13.24 C ATOM 1296 CE2 PHE A 77 18.765 -8.690 11.833 1.00 22.23 C ATOM 1297 CZ PHE A 77 20.066 -9.037 12.023 1.00 23.44 C ATOM 0 H PHE A 77 17.423 -5.258 9.109 1.00 63.51 H new ATOM 0 HA PHE A 77 20.247 -5.660 8.248 1.00 0.31 H new ATOM 0 HB2 PHE A 77 17.742 -7.428 8.174 1.00 24.31 H new ATOM 0 HB3 PHE A 77 19.278 -7.875 7.459 1.00 24.31 H new ATOM 0 HD1 PHE A 77 21.285 -8.117 9.006 1.00 25.21 H new ATOM 0 HD2 PHE A 77 17.322 -7.848 10.447 1.00 0.41 H new ATOM 0 HE1 PHE A 77 22.008 -9.117 11.181 1.00 13.24 H new ATOM 0 HE2 PHE A 77 18.044 -8.846 12.622 1.00 22.23 H new ATOM 0 HZ PHE A 77 20.378 -9.468 12.963 1.00 23.44 H new ATOM 1307 N ILE A 78 19.763 -5.420 5.819 1.00 72.35 N ATOM 1308 CA ILE A 78 19.535 -5.010 4.443 1.00 24.32 C ATOM 1309 C ILE A 78 19.533 -6.246 3.541 1.00 34.00 C ATOM 1310 O ILE A 78 20.388 -7.119 3.676 1.00 62.41 O ATOM 1311 CB ILE A 78 20.553 -3.947 4.026 1.00 51.40 C ATOM 1312 CG1 ILE A 78 20.948 -3.069 5.216 1.00 62.43 C ATOM 1313 CG2 ILE A 78 20.029 -3.118 2.852 1.00 50.54 C ATOM 1314 CD1 ILE A 78 19.773 -2.202 5.672 1.00 60.40 C ATOM 0 H ILE A 78 20.712 -5.737 6.018 1.00 72.35 H new ATOM 0 HA ILE A 78 18.557 -4.540 4.342 1.00 24.32 H new ATOM 0 HB ILE A 78 21.456 -4.454 3.686 1.00 51.40 H new ATOM 0 HG12 ILE A 78 21.282 -3.698 6.041 1.00 62.43 H new ATOM 0 HG13 ILE A 78 21.788 -2.432 4.940 1.00 62.43 H new ATOM 0 HG21 ILE A 78 20.771 -2.370 2.575 1.00 50.54 H new ATOM 0 HG22 ILE A 78 19.838 -3.772 2.001 1.00 50.54 H new ATOM 0 HG23 ILE A 78 19.103 -2.621 3.142 1.00 50.54 H new ATOM 0 HD11 ILE A 78 20.081 -1.588 6.519 1.00 60.40 H new ATOM 0 HD12 ILE A 78 19.457 -1.557 4.852 1.00 60.40 H new ATOM 0 HD13 ILE A 78 18.943 -2.842 5.971 1.00 60.40 H new ATOM 1326 N PHE A 79 18.561 -6.280 2.641 1.00 31.00 N ATOM 1327 CA PHE A 79 18.435 -7.394 1.717 1.00 65.32 C ATOM 1328 C PHE A 79 18.370 -6.902 0.270 1.00 51.33 C ATOM 1329 O PHE A 79 17.522 -6.079 -0.072 1.00 1.52 O ATOM 1330 CB PHE A 79 17.129 -8.113 2.058 1.00 72.30 C ATOM 1331 CG PHE A 79 16.978 -8.460 3.541 1.00 50.24 C ATOM 1332 CD1 PHE A 79 16.832 -7.468 4.459 1.00 3.44 C ATOM 1333 CD2 PHE A 79 16.990 -9.760 3.940 1.00 53.22 C ATOM 1334 CE1 PHE A 79 16.692 -7.789 5.835 1.00 24.14 C ATOM 1335 CE2 PHE A 79 16.850 -10.081 5.316 1.00 72.42 C ATOM 1336 CZ PHE A 79 16.704 -9.089 6.235 1.00 61.24 C ATOM 0 H PHE A 79 17.853 -5.554 2.532 1.00 31.00 H new ATOM 0 HA PHE A 79 19.298 -8.053 1.810 1.00 65.32 H new ATOM 0 HB2 PHE A 79 16.291 -7.485 1.755 1.00 72.30 H new ATOM 0 HB3 PHE A 79 17.068 -9.030 1.473 1.00 72.30 H new ATOM 0 HD1 PHE A 79 16.823 -6.436 4.142 1.00 3.44 H new ATOM 0 HD2 PHE A 79 17.106 -10.548 3.211 1.00 53.22 H new ATOM 0 HE1 PHE A 79 16.576 -7.001 6.564 1.00 24.14 H new ATOM 0 HE2 PHE A 79 16.859 -11.113 5.633 1.00 72.42 H new ATOM 0 HZ PHE A 79 16.598 -9.333 7.282 1.00 61.24 H new ATOM 1346 N VAL A 80 19.276 -7.426 -0.542 1.00 22.41 N ATOM 1347 CA VAL A 80 19.332 -7.050 -1.944 1.00 60.33 C ATOM 1348 C VAL A 80 19.107 -8.292 -2.810 1.00 44.30 C ATOM 1349 O VAL A 80 19.659 -9.355 -2.531 1.00 74.42 O ATOM 1350 CB VAL A 80 20.656 -6.344 -2.244 1.00 54.34 C ATOM 1351 CG1 VAL A 80 21.122 -5.520 -1.042 1.00 62.34 C ATOM 1352 CG2 VAL A 80 21.728 -7.347 -2.671 1.00 64.54 C ATOM 0 H VAL A 80 19.978 -8.108 -0.255 1.00 22.41 H new ATOM 0 HA VAL A 80 18.540 -6.340 -2.181 1.00 60.33 H new ATOM 0 HB VAL A 80 20.490 -5.659 -3.075 1.00 54.34 H new ATOM 0 HG11 VAL A 80 22.065 -5.029 -1.281 1.00 62.34 H new ATOM 0 HG12 VAL A 80 20.371 -4.767 -0.804 1.00 62.34 H new ATOM 0 HG13 VAL A 80 21.263 -6.177 -0.183 1.00 62.34 H new ATOM 0 HG21 VAL A 80 22.659 -6.819 -2.878 1.00 64.54 H new ATOM 0 HG22 VAL A 80 21.891 -8.069 -1.870 1.00 64.54 H new ATOM 0 HG23 VAL A 80 21.400 -7.870 -3.569 1.00 64.54 H new ATOM 1362 N ASN A 81 18.297 -8.115 -3.843 1.00 51.31 N ATOM 1363 CA ASN A 81 17.993 -9.207 -4.751 1.00 74.33 C ATOM 1364 C ASN A 81 17.696 -10.471 -3.941 1.00 51.21 C ATOM 1365 O ASN A 81 18.309 -11.513 -4.164 1.00 23.55 O ATOM 1366 CB ASN A 81 19.177 -9.504 -5.673 1.00 5.14 C ATOM 1367 CG ASN A 81 19.311 -8.432 -6.757 1.00 33.53 C ATOM 1368 OD1 ASN A 81 19.470 -7.200 -6.283 1.00 15.51 O flip ATOM 1369 ND2 ASN A 81 19.272 -8.707 -7.945 1.00 21.23 N flip ATOM 0 H ASN A 81 17.842 -7.231 -4.071 1.00 51.31 H new ATOM 0 HA ASN A 81 17.132 -8.915 -5.353 1.00 74.33 H new ATOM 0 HB2 ASN A 81 20.095 -9.551 -5.088 1.00 5.14 H new ATOM 0 HB3 ASN A 81 19.045 -10.481 -6.137 1.00 5.14 H new ATOM 0 HD21 ASN A 81 19.147 -9.675 -8.241 1.00 21.23 H new ATOM 0 HD22 ASN A 81 19.364 -7.969 -8.643 1.00 21.23 H new ATOM 1376 N ASP A 82 16.755 -10.336 -3.018 1.00 2.11 N ATOM 1377 CA ASP A 82 16.370 -11.454 -2.173 1.00 53.43 C ATOM 1378 C ASP A 82 17.626 -12.106 -1.593 1.00 2.43 C ATOM 1379 O ASP A 82 17.753 -13.329 -1.595 1.00 73.12 O ATOM 1380 CB ASP A 82 15.614 -12.515 -2.975 1.00 50.13 C ATOM 1381 CG ASP A 82 14.442 -11.986 -3.805 1.00 30.05 C ATOM 1382 OD1 ASP A 82 13.461 -11.458 -3.260 1.00 21.02 O ATOM 1383 OD2 ASP A 82 14.565 -12.135 -5.080 1.00 22.51 O ATOM 0 H ASP A 82 16.248 -9.470 -2.837 1.00 2.11 H new ATOM 0 HA ASP A 82 15.725 -11.072 -1.382 1.00 53.43 H new ATOM 0 HB2 ASP A 82 16.317 -13.013 -3.643 1.00 50.13 H new ATOM 0 HB3 ASP A 82 15.239 -13.271 -2.285 1.00 50.13 H new ATOM 1389 N THR A 83 18.523 -11.259 -1.109 1.00 25.31 N ATOM 1390 CA THR A 83 19.766 -11.738 -0.526 1.00 54.21 C ATOM 1391 C THR A 83 20.103 -10.944 0.737 1.00 14.53 C ATOM 1392 O THR A 83 19.306 -10.124 1.190 1.00 14.55 O ATOM 1393 CB THR A 83 20.852 -11.661 -1.600 1.00 43.23 C ATOM 1394 OG1 THR A 83 21.710 -12.760 -1.306 1.00 74.43 O ATOM 1395 CG2 THR A 83 21.751 -10.433 -1.437 1.00 22.51 C ATOM 0 H THR A 83 18.414 -10.245 -1.108 1.00 25.31 H new ATOM 0 HA THR A 83 19.679 -12.776 -0.206 1.00 54.21 H new ATOM 0 HB THR A 83 20.387 -11.642 -2.585 1.00 43.23 H new ATOM 0 HG1 THR A 83 22.443 -12.786 -1.956 1.00 74.43 H new ATOM 0 HG21 THR A 83 22.504 -10.427 -2.225 1.00 22.51 H new ATOM 0 HG22 THR A 83 21.147 -9.528 -1.505 1.00 22.51 H new ATOM 0 HG23 THR A 83 22.243 -10.468 -0.465 1.00 22.51 H new ATOM 1403 N LEU A 84 21.285 -11.215 1.270 1.00 12.34 N ATOM 1404 CA LEU A 84 21.737 -10.536 2.473 1.00 42.43 C ATOM 1405 C LEU A 84 23.243 -10.284 2.375 1.00 22.11 C ATOM 1406 O LEU A 84 24.044 -11.130 2.770 1.00 3.53 O ATOM 1407 CB LEU A 84 21.324 -11.321 3.719 1.00 4.01 C ATOM 1408 CG LEU A 84 21.086 -10.494 4.984 1.00 24.35 C ATOM 1409 CD1 LEU A 84 19.590 -10.301 5.240 1.00 64.31 C ATOM 1410 CD2 LEU A 84 21.798 -11.117 6.188 1.00 53.53 C ATOM 0 H LEU A 84 21.944 -11.895 0.891 1.00 12.34 H new ATOM 0 HA LEU A 84 21.256 -9.562 2.565 1.00 42.43 H new ATOM 0 HB2 LEU A 84 20.411 -11.871 3.491 1.00 4.01 H new ATOM 0 HB3 LEU A 84 22.097 -12.060 3.932 1.00 4.01 H new ATOM 0 HG LEU A 84 21.517 -9.504 4.831 1.00 24.35 H new ATOM 0 HD11 LEU A 84 19.449 -9.710 6.145 1.00 64.31 H new ATOM 0 HD12 LEU A 84 19.140 -9.782 4.394 1.00 64.31 H new ATOM 0 HD13 LEU A 84 19.114 -11.274 5.364 1.00 64.31 H new ATOM 0 HD21 LEU A 84 21.613 -10.510 7.074 1.00 53.53 H new ATOM 0 HD22 LEU A 84 21.419 -12.125 6.353 1.00 53.53 H new ATOM 0 HD23 LEU A 84 22.870 -11.160 5.995 1.00 53.53 H new ATOM 1422 N PRO A 85 23.592 -9.087 1.832 1.00 11.24 N ATOM 1423 CA PRO A 85 24.988 -8.713 1.678 1.00 75.22 C ATOM 1424 C PRO A 85 25.603 -8.322 3.023 1.00 53.11 C ATOM 1425 O PRO A 85 24.888 -7.944 3.950 1.00 41.21 O ATOM 1426 CB PRO A 85 24.981 -7.572 0.673 1.00 35.44 C ATOM 1427 CG PRO A 85 23.556 -7.042 0.655 1.00 2.11 C ATOM 1428 CD PRO A 85 22.670 -8.061 1.353 1.00 3.23 C ATOM 0 HA PRO A 85 25.607 -9.536 1.321 1.00 75.22 H new ATOM 0 HB2 PRO A 85 25.684 -6.792 0.963 1.00 35.44 H new ATOM 0 HB3 PRO A 85 25.281 -7.920 -0.315 1.00 35.44 H new ATOM 0 HG2 PRO A 85 23.501 -6.078 1.161 1.00 2.11 H new ATOM 0 HG3 PRO A 85 23.221 -6.883 -0.370 1.00 2.11 H new ATOM 0 HD2 PRO A 85 22.119 -7.608 2.177 1.00 3.23 H new ATOM 0 HD3 PRO A 85 21.933 -8.480 0.668 1.00 3.23 H new ATOM 1436 N PRO A 86 26.957 -8.429 3.088 1.00 11.44 N ATOM 1437 CA PRO A 86 27.676 -8.090 4.304 1.00 24.25 C ATOM 1438 C PRO A 86 27.752 -6.574 4.493 1.00 42.43 C ATOM 1439 O PRO A 86 27.585 -5.817 3.538 1.00 42.15 O ATOM 1440 CB PRO A 86 29.042 -8.738 4.147 1.00 62.21 C ATOM 1441 CG PRO A 86 29.201 -9.019 2.661 1.00 5.14 C ATOM 1442 CD PRO A 86 27.836 -8.873 2.010 1.00 12.25 C ATOM 0 HA PRO A 86 27.177 -8.454 5.202 1.00 24.25 H new ATOM 0 HB2 PRO A 86 29.831 -8.078 4.506 1.00 62.21 H new ATOM 0 HB3 PRO A 86 29.107 -9.658 4.728 1.00 62.21 H new ATOM 0 HG2 PRO A 86 29.913 -8.324 2.215 1.00 5.14 H new ATOM 0 HG3 PRO A 86 29.594 -10.023 2.502 1.00 5.14 H new ATOM 0 HD2 PRO A 86 27.861 -8.149 1.196 1.00 12.25 H new ATOM 0 HD3 PRO A 86 27.496 -9.818 1.586 1.00 12.25 H new ATOM 1450 N THR A 87 28.004 -6.175 5.731 1.00 64.02 N ATOM 1451 CA THR A 87 28.105 -4.762 6.056 1.00 34.55 C ATOM 1452 C THR A 87 29.434 -4.193 5.557 1.00 20.23 C ATOM 1453 O THR A 87 29.650 -2.983 5.600 1.00 62.03 O ATOM 1454 CB THR A 87 27.907 -4.610 7.566 1.00 71.21 C ATOM 1455 OG1 THR A 87 28.410 -3.308 7.852 1.00 23.34 O ATOM 1456 CG2 THR A 87 28.811 -5.545 8.372 1.00 12.12 C ATOM 0 H THR A 87 28.141 -6.805 6.521 1.00 64.02 H new ATOM 0 HA THR A 87 27.331 -4.184 5.552 1.00 34.55 H new ATOM 0 HB THR A 87 26.865 -4.808 7.818 1.00 71.21 H new ATOM 0 HG1 THR A 87 28.319 -3.126 8.811 1.00 23.34 H new ATOM 0 HG21 THR A 87 28.631 -5.397 9.437 1.00 12.12 H new ATOM 0 HG22 THR A 87 28.593 -6.580 8.107 1.00 12.12 H new ATOM 0 HG23 THR A 87 29.855 -5.326 8.147 1.00 12.12 H new ATOM 1464 N ALA A 88 30.290 -5.093 5.096 1.00 43.32 N ATOM 1465 CA ALA A 88 31.593 -4.695 4.589 1.00 72.20 C ATOM 1466 C ALA A 88 31.507 -4.496 3.074 1.00 31.44 C ATOM 1467 O ALA A 88 32.302 -3.758 2.496 1.00 42.24 O ATOM 1468 CB ALA A 88 32.635 -5.744 4.981 1.00 22.22 C ATOM 0 H ALA A 88 30.107 -6.096 5.063 1.00 43.32 H new ATOM 0 HA ALA A 88 31.903 -3.747 5.029 1.00 72.20 H new ATOM 0 HB1 ALA A 88 33.612 -5.446 4.601 1.00 22.22 H new ATOM 0 HB2 ALA A 88 32.678 -5.826 6.067 1.00 22.22 H new ATOM 0 HB3 ALA A 88 32.359 -6.708 4.555 1.00 22.22 H new ATOM 1474 N ALA A 89 30.535 -5.168 2.476 1.00 73.53 N ATOM 1475 CA ALA A 89 30.335 -5.075 1.040 1.00 55.15 C ATOM 1476 C ALA A 89 30.310 -3.602 0.627 1.00 13.33 C ATOM 1477 O ALA A 89 29.697 -2.775 1.301 1.00 20.13 O ATOM 1478 CB ALA A 89 29.049 -5.810 0.654 1.00 2.11 C ATOM 0 H ALA A 89 29.877 -5.779 2.960 1.00 73.53 H new ATOM 0 HA ALA A 89 31.157 -5.553 0.507 1.00 55.15 H new ATOM 0 HB1 ALA A 89 28.899 -5.740 -0.423 1.00 2.11 H new ATOM 0 HB2 ALA A 89 29.129 -6.858 0.942 1.00 2.11 H new ATOM 0 HB3 ALA A 89 28.202 -5.356 1.168 1.00 2.11 H new ATOM 1484 N LEU A 90 30.983 -3.318 -0.478 1.00 24.13 N ATOM 1485 CA LEU A 90 31.046 -1.959 -0.988 1.00 4.02 C ATOM 1486 C LEU A 90 29.828 -1.695 -1.875 1.00 1.33 C ATOM 1487 O LEU A 90 29.454 -2.538 -2.688 1.00 55.23 O ATOM 1488 CB LEU A 90 32.383 -1.712 -1.690 1.00 3.54 C ATOM 1489 CG LEU A 90 33.038 -0.354 -1.426 1.00 20.01 C ATOM 1490 CD1 LEU A 90 33.285 -0.146 0.069 1.00 12.45 C ATOM 1491 CD2 LEU A 90 34.320 -0.195 -2.246 1.00 72.00 C ATOM 0 H LEU A 90 31.490 -4.006 -1.035 1.00 24.13 H new ATOM 0 HA LEU A 90 31.005 -1.242 -0.168 1.00 4.02 H new ATOM 0 HB2 LEU A 90 33.080 -2.494 -1.388 1.00 3.54 H new ATOM 0 HB3 LEU A 90 32.232 -1.818 -2.764 1.00 3.54 H new ATOM 0 HG LEU A 90 32.349 0.426 -1.750 1.00 20.01 H new ATOM 0 HD11 LEU A 90 33.751 0.826 0.229 1.00 12.45 H new ATOM 0 HD12 LEU A 90 32.336 -0.186 0.604 1.00 12.45 H new ATOM 0 HD13 LEU A 90 33.944 -0.930 0.441 1.00 12.45 H new ATOM 0 HD21 LEU A 90 34.765 0.778 -2.040 1.00 72.00 H new ATOM 0 HD22 LEU A 90 35.025 -0.981 -1.975 1.00 72.00 H new ATOM 0 HD23 LEU A 90 34.084 -0.269 -3.308 1.00 72.00 H new ATOM 1503 N MET A 91 29.243 -0.521 -1.687 1.00 43.35 N ATOM 1504 CA MET A 91 28.075 -0.135 -2.460 1.00 51.24 C ATOM 1505 C MET A 91 28.427 0.033 -3.940 1.00 22.11 C ATOM 1506 O MET A 91 27.541 0.192 -4.778 1.00 64.24 O ATOM 1507 CB MET A 91 27.515 1.181 -1.916 1.00 75.25 C ATOM 1508 CG MET A 91 27.263 1.088 -0.410 1.00 52.31 C ATOM 1509 SD MET A 91 26.221 -0.316 -0.050 1.00 43.13 S ATOM 1510 CE MET A 91 24.663 0.285 -0.679 1.00 74.15 C ATOM 0 H MET A 91 29.556 0.175 -1.011 1.00 43.35 H new ATOM 0 HA MET A 91 27.327 -0.923 -2.371 1.00 51.24 H new ATOM 0 HB2 MET A 91 28.215 1.991 -2.122 1.00 75.25 H new ATOM 0 HB3 MET A 91 26.585 1.425 -2.430 1.00 75.25 H new ATOM 0 HG2 MET A 91 28.211 0.993 0.120 1.00 52.31 H new ATOM 0 HG3 MET A 91 26.789 2.003 -0.055 1.00 52.31 H new ATOM 0 HE1 MET A 91 23.846 -0.261 -0.208 1.00 74.15 H new ATOM 0 HE2 MET A 91 24.566 1.348 -0.456 1.00 74.15 H new ATOM 0 HE3 MET A 91 24.624 0.136 -1.758 1.00 74.15 H new ATOM 1520 N SER A 92 29.722 -0.008 -4.215 1.00 65.02 N ATOM 1521 CA SER A 92 30.203 0.137 -5.579 1.00 13.52 C ATOM 1522 C SER A 92 30.249 -1.229 -6.266 1.00 12.20 C ATOM 1523 O SER A 92 29.876 -1.354 -7.432 1.00 25.35 O ATOM 1524 CB SER A 92 31.584 0.794 -5.609 1.00 65.30 C ATOM 1525 OG SER A 92 32.605 -0.089 -5.151 1.00 31.31 O ATOM 0 H SER A 92 30.454 -0.140 -3.517 1.00 65.02 H new ATOM 0 HA SER A 92 29.511 0.784 -6.119 1.00 13.52 H new ATOM 0 HB2 SER A 92 31.811 1.115 -6.626 1.00 65.30 H new ATOM 0 HB3 SER A 92 31.573 1.689 -4.987 1.00 65.30 H new ATOM 0 HG SER A 92 33.479 0.344 -5.247 1.00 31.31 H new ATOM 1531 N ALA A 93 30.709 -2.218 -5.514 1.00 71.24 N ATOM 1532 CA ALA A 93 30.809 -3.571 -6.036 1.00 54.55 C ATOM 1533 C ALA A 93 29.430 -4.232 -5.992 1.00 71.53 C ATOM 1534 O ALA A 93 29.099 -5.045 -6.855 1.00 5.12 O ATOM 1535 CB ALA A 93 31.855 -4.350 -5.238 1.00 65.23 C ATOM 0 H ALA A 93 31.017 -2.110 -4.548 1.00 71.24 H new ATOM 0 HA ALA A 93 31.136 -3.559 -7.076 1.00 54.55 H new ATOM 0 HB1 ALA A 93 31.930 -5.365 -5.629 1.00 65.23 H new ATOM 0 HB2 ALA A 93 32.822 -3.855 -5.325 1.00 65.23 H new ATOM 0 HB3 ALA A 93 31.560 -4.387 -4.189 1.00 65.23 H new ATOM 1541 N ILE A 94 28.662 -3.860 -4.979 1.00 23.34 N ATOM 1542 CA ILE A 94 27.327 -4.408 -4.811 1.00 12.23 C ATOM 1543 C ILE A 94 26.437 -3.932 -5.961 1.00 61.51 C ATOM 1544 O ILE A 94 25.926 -4.744 -6.732 1.00 4.13 O ATOM 1545 CB ILE A 94 26.777 -4.063 -3.425 1.00 71.31 C ATOM 1546 CG1 ILE A 94 27.613 -4.720 -2.325 1.00 35.34 C ATOM 1547 CG2 ILE A 94 25.296 -4.430 -3.316 1.00 75.44 C ATOM 1548 CD1 ILE A 94 27.290 -6.211 -2.208 1.00 20.33 C ATOM 0 H ILE A 94 28.939 -3.185 -4.266 1.00 23.34 H new ATOM 0 HA ILE A 94 27.353 -5.497 -4.857 1.00 12.23 H new ATOM 0 HB ILE A 94 26.852 -2.985 -3.286 1.00 71.31 H new ATOM 0 HG12 ILE A 94 28.673 -4.590 -2.542 1.00 35.34 H new ATOM 0 HG13 ILE A 94 27.420 -4.226 -1.373 1.00 35.34 H new ATOM 0 HG21 ILE A 94 24.930 -4.175 -2.322 1.00 75.44 H new ATOM 0 HG22 ILE A 94 24.728 -3.877 -4.065 1.00 75.44 H new ATOM 0 HG23 ILE A 94 25.173 -5.500 -3.484 1.00 75.44 H new ATOM 0 HD11 ILE A 94 27.898 -6.654 -1.419 1.00 20.33 H new ATOM 0 HD12 ILE A 94 26.234 -6.337 -1.967 1.00 20.33 H new ATOM 0 HD13 ILE A 94 27.507 -6.706 -3.155 1.00 20.33 H new ATOM 1560 N TYR A 95 26.279 -2.619 -6.041 1.00 31.51 N ATOM 1561 CA TYR A 95 25.460 -2.026 -7.084 1.00 72.43 C ATOM 1562 C TYR A 95 25.994 -2.387 -8.472 1.00 51.21 C ATOM 1563 O TYR A 95 25.242 -2.401 -9.446 1.00 25.32 O ATOM 1564 CB TYR A 95 25.560 -0.512 -6.890 1.00 22.23 C ATOM 1565 CG TYR A 95 25.009 0.304 -8.061 1.00 22.51 C ATOM 1566 CD1 TYR A 95 25.681 0.321 -9.266 1.00 72.13 C ATOM 1567 CD2 TYR A 95 23.840 1.022 -7.912 1.00 2.21 C ATOM 1568 CE1 TYR A 95 25.162 1.089 -10.369 1.00 22.34 C ATOM 1569 CE2 TYR A 95 23.322 1.790 -9.014 1.00 54.02 C ATOM 1570 CZ TYR A 95 24.008 1.785 -10.188 1.00 42.41 C ATOM 1571 OH TYR A 95 23.518 2.511 -11.229 1.00 64.42 O ATOM 0 H TYR A 95 26.704 -1.949 -5.400 1.00 31.51 H new ATOM 0 HA TYR A 95 24.434 -2.389 -7.019 1.00 72.43 H new ATOM 0 HB2 TYR A 95 25.022 -0.236 -5.983 1.00 22.23 H new ATOM 0 HB3 TYR A 95 26.605 -0.244 -6.734 1.00 22.23 H new ATOM 0 HD1 TYR A 95 26.596 -0.241 -9.382 1.00 72.13 H new ATOM 0 HD2 TYR A 95 23.314 1.008 -6.969 1.00 2.21 H new ATOM 0 HE1 TYR A 95 25.678 1.111 -11.318 1.00 22.34 H new ATOM 0 HE2 TYR A 95 22.409 2.357 -8.911 1.00 54.02 H new ATOM 0 HH TYR A 95 22.541 2.435 -11.250 1.00 64.42 H new ATOM 1581 N GLN A 96 27.288 -2.669 -8.518 1.00 54.13 N ATOM 1582 CA GLN A 96 27.931 -3.028 -9.771 1.00 30.24 C ATOM 1583 C GLN A 96 27.336 -4.327 -10.319 1.00 43.34 C ATOM 1584 O GLN A 96 27.176 -4.477 -11.530 1.00 22.54 O ATOM 1585 CB GLN A 96 29.446 -3.151 -9.593 1.00 53.13 C ATOM 1586 CG GLN A 96 30.166 -1.933 -10.176 1.00 62.40 C ATOM 1587 CD GLN A 96 31.598 -1.838 -9.645 1.00 42.14 C ATOM 1588 OE1 GLN A 96 32.021 -0.829 -9.105 1.00 65.31 O ATOM 1589 NE2 GLN A 96 32.318 -2.941 -9.829 1.00 32.30 N ATOM 0 H GLN A 96 27.908 -2.656 -7.708 1.00 54.13 H new ATOM 0 HA GLN A 96 27.746 -2.233 -10.494 1.00 30.24 H new ATOM 0 HB2 GLN A 96 29.685 -3.247 -8.534 1.00 53.13 H new ATOM 0 HB3 GLN A 96 29.801 -4.057 -10.083 1.00 53.13 H new ATOM 0 HG2 GLN A 96 30.181 -2.001 -11.264 1.00 62.40 H new ATOM 0 HG3 GLN A 96 29.619 -1.026 -9.921 1.00 62.40 H new ATOM 0 HE21 GLN A 96 31.902 -3.751 -10.289 1.00 32.30 H new ATOM 0 HE22 GLN A 96 33.286 -2.977 -9.510 1.00 32.30 H new ATOM 1598 N GLU A 97 27.025 -5.231 -9.403 1.00 21.42 N ATOM 1599 CA GLU A 97 26.452 -6.512 -9.780 1.00 34.22 C ATOM 1600 C GLU A 97 24.974 -6.568 -9.388 1.00 54.22 C ATOM 1601 O GLU A 97 24.268 -7.510 -9.745 1.00 63.22 O ATOM 1602 CB GLU A 97 27.230 -7.668 -9.149 1.00 31.41 C ATOM 1603 CG GLU A 97 28.574 -7.872 -9.850 1.00 45.42 C ATOM 1604 CD GLU A 97 28.451 -8.885 -10.990 1.00 11.11 C ATOM 1605 OE1 GLU A 97 27.435 -8.897 -11.701 1.00 43.24 O ATOM 1606 OE2 GLU A 97 29.458 -9.679 -11.125 1.00 64.10 O ATOM 0 H GLU A 97 27.159 -5.102 -8.400 1.00 21.42 H new ATOM 0 HA GLU A 97 26.525 -6.616 -10.863 1.00 34.22 H new ATOM 0 HB2 GLU A 97 27.395 -7.465 -8.091 1.00 31.41 H new ATOM 0 HB3 GLU A 97 26.641 -8.583 -9.210 1.00 31.41 H new ATOM 0 HG2 GLU A 97 28.932 -6.920 -10.242 1.00 45.42 H new ATOM 0 HG3 GLU A 97 29.315 -8.219 -9.129 1.00 45.42 H new ATOM 1614 N HIS A 98 24.549 -5.546 -8.659 1.00 74.42 N ATOM 1615 CA HIS A 98 23.167 -5.467 -8.215 1.00 63.23 C ATOM 1616 C HIS A 98 22.430 -4.396 -9.021 1.00 51.11 C ATOM 1617 O HIS A 98 21.258 -4.120 -8.768 1.00 4.35 O ATOM 1618 CB HIS A 98 23.095 -5.229 -6.706 1.00 12.42 C ATOM 1619 CG HIS A 98 23.445 -6.440 -5.875 1.00 33.10 C ATOM 1620 ND1 HIS A 98 24.567 -6.736 -5.159 1.00 35.45 N flip ATOM 1621 CD2 HIS A 98 22.587 -7.514 -5.718 1.00 45.12 C flip ATOM 1622 CE1 HIS A 98 24.403 -7.925 -4.594 1.00 61.03 C flip ATOM 1623 NE2 HIS A 98 23.176 -8.410 -4.939 1.00 24.51 N flip ATOM 0 H HIS A 98 25.137 -4.766 -8.365 1.00 74.42 H new ATOM 0 HA HIS A 98 22.667 -6.418 -8.398 1.00 63.23 H new ATOM 0 HB2 HIS A 98 23.770 -4.414 -6.445 1.00 12.42 H new ATOM 0 HB3 HIS A 98 22.087 -4.903 -6.448 1.00 12.42 H new ATOM 0 HD2 HIS A 98 21.604 -7.607 -6.156 1.00 45.12 H new ATOM 0 HE1 HIS A 98 25.123 -8.427 -3.964 1.00 61.03 H new ATOM 0 HE2 HIS A 98 22.781 -9.305 -4.649 1.00 24.51 H new ATOM 1631 N LYS A 99 23.147 -3.821 -9.976 1.00 34.41 N ATOM 1632 CA LYS A 99 22.575 -2.786 -10.821 1.00 20.43 C ATOM 1633 C LYS A 99 21.554 -3.416 -11.771 1.00 10.34 C ATOM 1634 O LYS A 99 21.842 -4.419 -12.421 1.00 41.14 O ATOM 1635 CB LYS A 99 23.681 -2.007 -11.535 1.00 53.31 C ATOM 1636 CG LYS A 99 23.162 -1.386 -12.834 1.00 65.00 C ATOM 1637 CD LYS A 99 23.423 -2.310 -14.025 1.00 40.04 C ATOM 1638 CE LYS A 99 24.850 -2.139 -14.550 1.00 22.34 C ATOM 1639 NZ LYS A 99 24.950 -2.620 -15.946 1.00 3.11 N ATOM 0 H LYS A 99 24.119 -4.052 -10.183 1.00 34.41 H new ATOM 0 HA LYS A 99 22.039 -2.053 -10.218 1.00 20.43 H new ATOM 0 HB2 LYS A 99 24.061 -1.223 -10.879 1.00 53.31 H new ATOM 0 HB3 LYS A 99 24.516 -2.672 -11.754 1.00 53.31 H new ATOM 0 HG2 LYS A 99 22.093 -1.192 -12.747 1.00 65.00 H new ATOM 0 HG3 LYS A 99 23.648 -0.425 -13.001 1.00 65.00 H new ATOM 0 HD2 LYS A 99 23.263 -3.346 -13.728 1.00 40.04 H new ATOM 0 HD3 LYS A 99 22.711 -2.093 -14.821 1.00 40.04 H new ATOM 0 HE2 LYS A 99 25.139 -1.089 -14.499 1.00 22.34 H new ATOM 0 HE3 LYS A 99 25.545 -2.692 -13.918 1.00 22.34 H new ATOM 0 HZ1 LYS A 99 25.925 -2.497 -16.287 1.00 3.11 H new ATOM 0 HZ2 LYS A 99 24.694 -3.627 -15.985 1.00 3.11 H new ATOM 0 HZ3 LYS A 99 24.301 -2.074 -16.548 1.00 3.11 H new ATOM 1652 N ASP A 100 20.382 -2.800 -11.820 1.00 73.21 N ATOM 1653 CA ASP A 100 19.316 -3.287 -12.680 1.00 23.54 C ATOM 1654 C ASP A 100 19.265 -2.439 -13.952 1.00 13.24 C ATOM 1655 O ASP A 100 20.055 -1.510 -14.115 1.00 73.31 O ATOM 1656 CB ASP A 100 17.957 -3.182 -11.985 1.00 70.04 C ATOM 1657 CG ASP A 100 16.897 -4.165 -12.486 1.00 61.14 C ATOM 1658 OD1 ASP A 100 15.944 -3.778 -13.179 1.00 31.51 O ATOM 1659 OD2 ASP A 100 17.081 -5.392 -12.133 1.00 62.12 O ATOM 0 H ASP A 100 20.147 -1.968 -11.278 1.00 73.21 H new ATOM 0 HA ASP A 100 19.521 -4.332 -12.914 1.00 23.54 H new ATOM 0 HB2 ASP A 100 18.100 -3.338 -10.916 1.00 70.04 H new ATOM 0 HB3 ASP A 100 17.579 -2.168 -12.111 1.00 70.04 H new ATOM 1665 N LYS A 101 18.327 -2.788 -14.820 1.00 11.01 N ATOM 1666 CA LYS A 101 18.162 -2.070 -16.072 1.00 52.13 C ATOM 1667 C LYS A 101 17.936 -0.586 -15.778 1.00 40.52 C ATOM 1668 O LYS A 101 18.708 0.263 -16.221 1.00 44.20 O ATOM 1669 CB LYS A 101 17.053 -2.706 -16.913 1.00 34.05 C ATOM 1670 CG LYS A 101 17.132 -4.233 -16.859 1.00 72.12 C ATOM 1671 CD LYS A 101 16.650 -4.853 -18.172 1.00 61.24 C ATOM 1672 CE LYS A 101 17.064 -6.323 -18.269 1.00 1.10 C ATOM 1673 NZ LYS A 101 16.341 -7.132 -17.263 1.00 20.23 N ATOM 0 H LYS A 101 17.673 -3.559 -14.681 1.00 11.01 H new ATOM 0 HA LYS A 101 19.068 -2.142 -16.674 1.00 52.13 H new ATOM 0 HB2 LYS A 101 16.080 -2.375 -16.549 1.00 34.05 H new ATOM 0 HB3 LYS A 101 17.137 -2.370 -17.947 1.00 34.05 H new ATOM 0 HG2 LYS A 101 18.159 -4.541 -16.663 1.00 72.12 H new ATOM 0 HG3 LYS A 101 16.525 -4.603 -16.033 1.00 72.12 H new ATOM 0 HD2 LYS A 101 15.565 -4.772 -18.240 1.00 61.24 H new ATOM 0 HD3 LYS A 101 17.064 -4.298 -19.014 1.00 61.24 H new ATOM 0 HE2 LYS A 101 16.852 -6.701 -19.269 1.00 1.10 H new ATOM 0 HE3 LYS A 101 18.139 -6.415 -18.114 1.00 1.10 H new ATOM 0 HZ1 LYS A 101 16.595 -8.134 -17.376 1.00 20.23 H new ATOM 0 HZ2 LYS A 101 16.603 -6.814 -16.308 1.00 20.23 H new ATOM 0 HZ3 LYS A 101 15.316 -7.018 -17.397 1.00 20.23 H new ATOM 1686 N ASP A 102 16.874 -0.318 -15.033 1.00 11.42 N ATOM 1687 CA ASP A 102 16.537 1.050 -14.674 1.00 73.53 C ATOM 1688 C ASP A 102 17.818 1.814 -14.333 1.00 73.54 C ATOM 1689 O ASP A 102 18.031 2.923 -14.819 1.00 53.40 O ATOM 1690 CB ASP A 102 15.623 1.088 -13.448 1.00 32.10 C ATOM 1691 CG ASP A 102 14.149 0.791 -13.730 1.00 72.35 C ATOM 1692 OD1 ASP A 102 13.789 0.327 -14.823 1.00 14.23 O ATOM 1693 OD2 ASP A 102 13.343 1.058 -12.759 1.00 51.23 O ATOM 0 H ASP A 102 16.235 -1.024 -14.668 1.00 11.42 H new ATOM 0 HA ASP A 102 16.023 1.504 -15.521 1.00 73.53 H new ATOM 0 HB2 ASP A 102 15.990 0.367 -12.718 1.00 32.10 H new ATOM 0 HB3 ASP A 102 15.698 2.073 -12.988 1.00 32.10 H new ATOM 1699 N GLY A 103 18.637 1.189 -13.501 1.00 24.22 N ATOM 1700 CA GLY A 103 19.892 1.796 -13.089 1.00 72.02 C ATOM 1701 C GLY A 103 19.985 1.882 -11.564 1.00 52.55 C ATOM 1702 O GLY A 103 21.058 1.696 -10.993 1.00 32.51 O ATOM 0 H GLY A 103 18.457 0.268 -13.101 1.00 24.22 H new ATOM 0 HA2 GLY A 103 20.727 1.211 -13.475 1.00 72.02 H new ATOM 0 HA3 GLY A 103 19.976 2.794 -13.519 1.00 72.02 H new ATOM 1706 N PHE A 104 18.846 2.166 -10.949 1.00 62.12 N ATOM 1707 CA PHE A 104 18.786 2.279 -9.502 1.00 13.41 C ATOM 1708 C PHE A 104 19.029 0.924 -8.835 1.00 4.11 C ATOM 1709 O PHE A 104 19.069 -0.105 -9.508 1.00 3.31 O ATOM 1710 CB PHE A 104 17.377 2.762 -9.150 1.00 22.24 C ATOM 1711 CG PHE A 104 17.271 4.274 -8.944 1.00 53.32 C ATOM 1712 CD1 PHE A 104 17.772 4.844 -7.816 1.00 44.30 C ATOM 1713 CD2 PHE A 104 16.674 5.049 -9.890 1.00 64.40 C ATOM 1714 CE1 PHE A 104 17.674 6.248 -7.625 1.00 54.05 C ATOM 1715 CE2 PHE A 104 16.576 6.452 -9.699 1.00 54.35 C ATOM 1716 CZ PHE A 104 17.077 7.022 -8.571 1.00 43.43 C ATOM 0 H PHE A 104 17.958 2.321 -11.426 1.00 62.12 H new ATOM 0 HA PHE A 104 19.553 2.969 -9.151 1.00 13.41 H new ATOM 0 HB2 PHE A 104 16.693 2.465 -9.945 1.00 22.24 H new ATOM 0 HB3 PHE A 104 17.048 2.258 -8.241 1.00 22.24 H new ATOM 0 HD1 PHE A 104 18.245 4.229 -7.065 1.00 44.30 H new ATOM 0 HD2 PHE A 104 16.275 4.597 -10.786 1.00 64.40 H new ATOM 0 HE1 PHE A 104 18.073 6.701 -6.729 1.00 54.05 H new ATOM 0 HE2 PHE A 104 16.103 7.067 -10.450 1.00 54.35 H new ATOM 0 HZ PHE A 104 17.001 8.090 -8.426 1.00 43.43 H new ATOM 1726 N LEU A 105 19.186 0.967 -7.520 1.00 42.30 N ATOM 1727 CA LEU A 105 19.425 -0.245 -6.755 1.00 11.54 C ATOM 1728 C LEU A 105 18.171 -0.588 -5.947 1.00 64.05 C ATOM 1729 O LEU A 105 17.664 0.245 -5.198 1.00 75.12 O ATOM 1730 CB LEU A 105 20.686 -0.099 -5.900 1.00 52.21 C ATOM 1731 CG LEU A 105 21.474 -1.385 -5.643 1.00 12.23 C ATOM 1732 CD1 LEU A 105 21.654 -2.185 -6.934 1.00 21.10 C ATOM 1733 CD2 LEU A 105 22.811 -1.082 -4.965 1.00 4.34 C ATOM 0 H LEU A 105 19.152 1.822 -6.965 1.00 42.30 H new ATOM 0 HA LEU A 105 19.615 -1.086 -7.422 1.00 11.54 H new ATOM 0 HB2 LEU A 105 21.348 0.619 -6.384 1.00 52.21 H new ATOM 0 HB3 LEU A 105 20.402 0.328 -4.938 1.00 52.21 H new ATOM 0 HG LEU A 105 20.899 -2.007 -4.957 1.00 12.23 H new ATOM 0 HD11 LEU A 105 22.217 -3.094 -6.723 1.00 21.10 H new ATOM 0 HD12 LEU A 105 20.677 -2.449 -7.338 1.00 21.10 H new ATOM 0 HD13 LEU A 105 22.197 -1.583 -7.663 1.00 21.10 H new ATOM 0 HD21 LEU A 105 23.351 -2.013 -4.794 1.00 4.34 H new ATOM 0 HD22 LEU A 105 23.405 -0.431 -5.606 1.00 4.34 H new ATOM 0 HD23 LEU A 105 22.631 -0.586 -4.011 1.00 4.34 H new ATOM 1745 N TYR A 106 17.708 -1.816 -6.128 1.00 25.32 N ATOM 1746 CA TYR A 106 16.524 -2.280 -5.426 1.00 31.23 C ATOM 1747 C TYR A 106 16.904 -3.072 -4.173 1.00 1.13 C ATOM 1748 O TYR A 106 17.399 -4.194 -4.269 1.00 41.24 O ATOM 1749 CB TYR A 106 15.793 -3.208 -6.399 1.00 4.05 C ATOM 1750 CG TYR A 106 15.117 -2.481 -7.562 1.00 61.04 C ATOM 1751 CD1 TYR A 106 15.873 -1.729 -8.439 1.00 72.43 C ATOM 1752 CD2 TYR A 106 13.751 -2.577 -7.736 1.00 3.34 C ATOM 1753 CE1 TYR A 106 15.236 -1.045 -9.535 1.00 22.22 C ATOM 1754 CE2 TYR A 106 13.115 -1.892 -8.831 1.00 73.51 C ATOM 1755 CZ TYR A 106 13.889 -1.161 -9.677 1.00 14.53 C ATOM 1756 OH TYR A 106 13.287 -0.514 -10.711 1.00 64.34 O ATOM 0 H TYR A 106 18.132 -2.504 -6.751 1.00 25.32 H new ATOM 0 HA TYR A 106 15.910 -1.436 -5.111 1.00 31.23 H new ATOM 0 HB2 TYR A 106 16.504 -3.931 -6.800 1.00 4.05 H new ATOM 0 HB3 TYR A 106 15.040 -3.773 -5.850 1.00 4.05 H new ATOM 0 HD1 TYR A 106 16.942 -1.654 -8.303 1.00 72.43 H new ATOM 0 HD2 TYR A 106 13.159 -3.166 -7.051 1.00 3.34 H new ATOM 0 HE1 TYR A 106 15.815 -0.453 -10.228 1.00 22.22 H new ATOM 0 HE2 TYR A 106 12.047 -1.957 -8.977 1.00 73.51 H new ATOM 0 HH TYR A 106 13.945 0.047 -11.173 1.00 64.34 H new ATOM 1766 N VAL A 107 16.658 -2.457 -3.026 1.00 1.55 N ATOM 1767 CA VAL A 107 16.968 -3.090 -1.755 1.00 44.30 C ATOM 1768 C VAL A 107 15.810 -2.864 -0.781 1.00 42.32 C ATOM 1769 O VAL A 107 14.969 -1.994 -1.002 1.00 42.34 O ATOM 1770 CB VAL A 107 18.306 -2.570 -1.224 1.00 51.11 C ATOM 1771 CG1 VAL A 107 18.469 -1.077 -1.516 1.00 53.10 C ATOM 1772 CG2 VAL A 107 18.450 -2.855 0.272 1.00 20.21 C ATOM 0 H VAL A 107 16.247 -1.526 -2.950 1.00 1.55 H new ATOM 0 HA VAL A 107 17.080 -4.167 -1.882 1.00 44.30 H new ATOM 0 HB VAL A 107 19.102 -3.102 -1.745 1.00 51.11 H new ATOM 0 HG11 VAL A 107 19.428 -0.733 -1.128 1.00 53.10 H new ATOM 0 HG12 VAL A 107 18.432 -0.911 -2.593 1.00 53.10 H new ATOM 0 HG13 VAL A 107 17.663 -0.522 -1.035 1.00 53.10 H new ATOM 0 HG21 VAL A 107 19.409 -2.475 0.624 1.00 20.21 H new ATOM 0 HG22 VAL A 107 17.643 -2.363 0.815 1.00 20.21 H new ATOM 0 HG23 VAL A 107 18.400 -3.930 0.444 1.00 20.21 H new ATOM 1782 N THR A 108 15.804 -3.662 0.276 1.00 33.21 N ATOM 1783 CA THR A 108 14.763 -3.560 1.285 1.00 74.24 C ATOM 1784 C THR A 108 15.337 -3.842 2.674 1.00 10.33 C ATOM 1785 O THR A 108 16.092 -4.796 2.856 1.00 11.44 O ATOM 1786 CB THR A 108 13.629 -4.510 0.892 1.00 42.13 C ATOM 1787 OG1 THR A 108 13.083 -3.928 -0.289 1.00 35.42 O ATOM 1788 CG2 THR A 108 12.471 -4.484 1.891 1.00 54.13 C ATOM 0 H THR A 108 16.503 -4.382 0.456 1.00 33.21 H new ATOM 0 HA THR A 108 14.358 -2.549 1.334 1.00 74.24 H new ATOM 0 HB THR A 108 14.017 -5.526 0.813 1.00 42.13 H new ATOM 0 HG1 THR A 108 12.444 -3.227 -0.043 1.00 35.42 H new ATOM 0 HG21 THR A 108 11.694 -5.175 1.565 1.00 54.13 H new ATOM 0 HG22 THR A 108 12.833 -4.782 2.875 1.00 54.13 H new ATOM 0 HG23 THR A 108 12.060 -3.476 1.946 1.00 54.13 H new ATOM 1796 N TYR A 109 14.957 -2.994 3.619 1.00 24.12 N ATOM 1797 CA TYR A 109 15.425 -3.140 4.987 1.00 3.31 C ATOM 1798 C TYR A 109 14.322 -3.699 5.888 1.00 52.15 C ATOM 1799 O TYR A 109 13.143 -3.418 5.678 1.00 73.44 O ATOM 1800 CB TYR A 109 15.788 -1.731 5.461 1.00 44.12 C ATOM 1801 CG TYR A 109 14.583 -0.808 5.650 1.00 32.11 C ATOM 1802 CD1 TYR A 109 13.696 -1.034 6.683 1.00 21.21 C ATOM 1803 CD2 TYR A 109 14.382 0.251 4.788 1.00 61.33 C ATOM 1804 CE1 TYR A 109 12.561 -0.166 6.861 1.00 5.32 C ATOM 1805 CE2 TYR A 109 13.247 1.119 4.966 1.00 44.32 C ATOM 1806 CZ TYR A 109 12.393 0.868 5.994 1.00 41.22 C ATOM 1807 OH TYR A 109 11.321 1.689 6.162 1.00 25.50 O ATOM 0 H TYR A 109 14.331 -2.204 3.464 1.00 24.12 H new ATOM 0 HA TYR A 109 16.270 -3.828 5.032 1.00 3.31 H new ATOM 0 HB2 TYR A 109 16.328 -1.804 6.405 1.00 44.12 H new ATOM 0 HB3 TYR A 109 16.468 -1.280 4.739 1.00 44.12 H new ATOM 0 HD1 TYR A 109 13.853 -1.862 7.358 1.00 21.21 H new ATOM 0 HD2 TYR A 109 15.076 0.429 3.980 1.00 61.33 H new ATOM 0 HE1 TYR A 109 11.859 -0.332 7.665 1.00 5.32 H new ATOM 0 HE2 TYR A 109 13.078 1.951 4.298 1.00 44.32 H new ATOM 0 HH TYR A 109 11.493 2.304 6.905 1.00 25.50 H new ATOM 1817 N SER A 110 14.744 -4.480 6.871 1.00 12.00 N ATOM 1818 CA SER A 110 13.806 -5.081 7.804 1.00 21.11 C ATOM 1819 C SER A 110 14.487 -5.311 9.155 1.00 13.51 C ATOM 1820 O SER A 110 15.505 -5.996 9.233 1.00 72.31 O ATOM 1821 CB SER A 110 13.254 -6.399 7.258 1.00 53.04 C ATOM 1822 OG SER A 110 14.219 -7.446 7.311 1.00 2.32 O ATOM 0 H SER A 110 15.723 -4.711 7.042 1.00 12.00 H new ATOM 0 HA SER A 110 12.969 -4.395 7.937 1.00 21.11 H new ATOM 0 HB2 SER A 110 12.374 -6.688 7.832 1.00 53.04 H new ATOM 0 HB3 SER A 110 12.930 -6.257 6.227 1.00 53.04 H new ATOM 0 HG SER A 110 14.717 -7.475 6.467 1.00 2.32 H new ATOM 1828 N GLY A 111 13.897 -4.723 10.186 1.00 32.40 N ATOM 1829 CA GLY A 111 14.433 -4.855 11.530 1.00 64.11 C ATOM 1830 C GLY A 111 14.828 -6.304 11.823 1.00 32.13 C ATOM 1831 O GLY A 111 15.782 -6.555 12.558 1.00 12.11 O ATOM 0 H GLY A 111 13.053 -4.154 10.117 1.00 32.40 H new ATOM 0 HA2 GLY A 111 15.302 -4.207 11.644 1.00 64.11 H new ATOM 0 HA3 GLY A 111 13.691 -4.523 12.256 1.00 64.11 H new ATOM 1835 N GLU A 112 14.073 -7.220 11.234 1.00 45.02 N ATOM 1836 CA GLU A 112 14.332 -8.637 11.423 1.00 62.32 C ATOM 1837 C GLU A 112 15.246 -9.162 10.314 1.00 63.40 C ATOM 1838 O GLU A 112 15.408 -8.517 9.280 1.00 55.44 O ATOM 1839 CB GLU A 112 13.025 -9.431 11.478 1.00 42.34 C ATOM 1840 CG GLU A 112 13.206 -10.732 12.262 1.00 62.04 C ATOM 1841 CD GLU A 112 11.888 -11.175 12.900 1.00 23.13 C ATOM 1842 OE1 GLU A 112 11.330 -10.450 13.737 1.00 4.13 O ATOM 1843 OE2 GLU A 112 11.444 -12.317 12.498 1.00 62.43 O ATOM 0 H GLU A 112 13.282 -7.008 10.626 1.00 45.02 H new ATOM 0 HA GLU A 112 14.840 -8.769 12.379 1.00 62.32 H new ATOM 0 HB2 GLU A 112 12.247 -8.826 11.945 1.00 42.34 H new ATOM 0 HB3 GLU A 112 12.689 -9.656 10.466 1.00 42.34 H new ATOM 0 HG2 GLU A 112 13.573 -11.514 11.597 1.00 62.04 H new ATOM 0 HG3 GLU A 112 13.960 -10.592 13.036 1.00 62.04 H new ATOM 1851 N ASN A 113 15.821 -10.329 10.567 1.00 33.14 N ATOM 1852 CA ASN A 113 16.714 -10.948 9.603 1.00 24.45 C ATOM 1853 C ASN A 113 15.906 -11.860 8.678 1.00 64.21 C ATOM 1854 O ASN A 113 16.304 -12.994 8.416 1.00 63.23 O ATOM 1855 CB ASN A 113 17.772 -11.803 10.304 1.00 65.45 C ATOM 1856 CG ASN A 113 18.869 -12.229 9.325 1.00 1.40 C ATOM 1857 OD1 ASN A 113 18.726 -13.170 8.562 1.00 15.21 O ATOM 1858 ND2 ASN A 113 19.970 -11.485 9.389 1.00 13.25 N ATOM 0 H ASN A 113 15.685 -10.862 11.426 1.00 33.14 H new ATOM 0 HA ASN A 113 17.206 -10.155 9.040 1.00 24.45 H new ATOM 0 HB2 ASN A 113 18.213 -11.240 11.127 1.00 65.45 H new ATOM 0 HB3 ASN A 113 17.303 -12.686 10.737 1.00 65.45 H new ATOM 0 HD21 ASN A 113 20.759 -11.689 8.776 1.00 13.25 H new ATOM 0 HD22 ASN A 113 20.025 -10.711 10.051 1.00 13.25 H new ATOM 1865 N THR A 114 14.786 -11.331 8.208 1.00 5.43 N ATOM 1866 CA THR A 114 13.919 -12.083 7.317 1.00 0.55 C ATOM 1867 C THR A 114 14.255 -11.771 5.858 1.00 52.03 C ATOM 1868 O THR A 114 14.345 -10.606 5.473 1.00 75.35 O ATOM 1869 CB THR A 114 12.469 -11.764 7.689 1.00 45.11 C ATOM 1870 OG1 THR A 114 12.487 -10.372 7.994 1.00 21.21 O ATOM 1871 CG2 THR A 114 12.041 -12.427 8.999 1.00 24.45 C ATOM 0 H THR A 114 14.459 -10.390 8.428 1.00 5.43 H new ATOM 0 HA THR A 114 14.070 -13.157 7.430 1.00 0.55 H new ATOM 0 HB THR A 114 11.808 -12.089 6.885 1.00 45.11 H new ATOM 0 HG1 THR A 114 11.586 -10.080 8.244 1.00 21.21 H new ATOM 0 HG21 THR A 114 11.005 -12.168 9.216 1.00 24.45 H new ATOM 0 HG22 THR A 114 12.133 -13.509 8.906 1.00 24.45 H new ATOM 0 HG23 THR A 114 12.680 -12.077 9.810 1.00 24.45 H new ATOM 1879 N PHE A 115 14.431 -12.833 5.085 1.00 43.40 N ATOM 1880 CA PHE A 115 14.755 -12.687 3.676 1.00 62.20 C ATOM 1881 C PHE A 115 13.498 -12.796 2.810 1.00 23.23 C ATOM 1882 O PHE A 115 13.573 -12.697 1.587 1.00 54.25 O ATOM 1883 CB PHE A 115 15.708 -13.828 3.316 1.00 24.51 C ATOM 1884 CG PHE A 115 16.829 -14.048 4.335 1.00 74.31 C ATOM 1885 CD1 PHE A 115 16.602 -14.804 5.442 1.00 33.35 C ATOM 1886 CD2 PHE A 115 18.051 -13.488 4.133 1.00 0.40 C ATOM 1887 CE1 PHE A 115 17.641 -15.008 6.388 1.00 63.20 C ATOM 1888 CE2 PHE A 115 19.091 -13.691 5.079 1.00 74.54 C ATOM 1889 CZ PHE A 115 18.864 -14.448 6.186 1.00 12.52 C ATOM 0 H PHE A 115 14.355 -13.798 5.408 1.00 43.40 H new ATOM 0 HA PHE A 115 15.204 -11.710 3.497 1.00 62.20 H new ATOM 0 HB2 PHE A 115 15.134 -14.750 3.218 1.00 24.51 H new ATOM 0 HB3 PHE A 115 16.152 -13.623 2.342 1.00 24.51 H new ATOM 0 HD1 PHE A 115 15.631 -15.249 5.602 1.00 33.35 H new ATOM 0 HD2 PHE A 115 18.231 -12.889 3.253 1.00 0.40 H new ATOM 0 HE1 PHE A 115 17.460 -15.608 7.268 1.00 63.20 H new ATOM 0 HE2 PHE A 115 20.061 -13.245 4.919 1.00 74.54 H new ATOM 0 HZ PHE A 115 19.655 -14.604 6.905 1.00 12.52 H new ATOM 1899 N GLY A 116 12.373 -12.999 3.480 1.00 41.12 N ATOM 1900 CA GLY A 116 11.102 -13.122 2.787 1.00 71.40 C ATOM 1901 C GLY A 116 10.289 -14.296 3.337 1.00 22.15 C ATOM 1902 O GLY A 116 10.029 -15.264 2.625 1.00 61.14 O ATOM 0 H GLY A 116 12.315 -13.081 4.495 1.00 41.12 H new ATOM 0 HA2 GLY A 116 10.533 -12.198 2.896 1.00 71.40 H new ATOM 0 HA3 GLY A 116 11.277 -13.264 1.721 1.00 71.40 H new TER 1906 GLY A 116