USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 701 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 21 MET CE :methyl -158:sc= -0.861 (180deg=-0.583) USER MOD Set 1.2: A 24 LYS NZ :NH3+ 162:sc= -0.0784 (180deg=0) USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 25 SER OG : rot 150:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -133:sc= -2.7! (180deg=-4.77!) USER MOD Single : A 11 THR OG1 : rot -102:sc= 0.986 USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= -0.0331 (180deg=-0.216) USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.656) USER MOD Single : A 18 ASN : amide:sc= -3.31! C(o=-3.3!,f=-4!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0569 K(o=-0.057,f=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -89:sc= 0.972 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -140:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -103:sc= -0.399 (180deg=-3.15!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -99:sc= -0.147 (180deg=-0.792) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -109:sc= -4.93! (180deg=-9.14!) USER MOD Single : A 84 SER OG : rot 116:sc= 1.04 USER MOD Single : A 86 TYR OH : rot -10:sc= -1.09 USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 6 -2.289 -7.082 -5.845 1.00 0.27 N ATOM 68 CA ASN A 6 -3.625 -7.668 -5.775 1.00 0.24 C ATOM 69 C ASN A 6 -4.687 -6.602 -5.494 1.00 0.24 C ATOM 70 O ASN A 6 -4.809 -6.135 -4.367 1.00 0.25 O ATOM 71 CB ASN A 6 -3.671 -8.733 -4.678 1.00 0.28 C ATOM 72 CG ASN A 6 -2.855 -9.960 -5.030 1.00 0.92 C ATOM 73 OD1 ASN A 6 -3.508 -10.946 -5.629 1.00 1.72 O flip ATOM 74 ND2 ASN A 6 -1.655 -10.022 -4.762 1.00 0.87 N flip ATOM 0 HA ASN A 6 -3.841 -8.123 -6.742 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.299 -8.307 -3.746 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -4.706 -9.026 -4.503 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -1.194 -9.238 -4.300 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -1.121 -10.858 -5.002 1.00 0.87 H new ATOM 81 N PRO A 7 -5.490 -6.215 -6.504 1.00 0.25 N ATOM 82 CA PRO A 7 -6.533 -5.199 -6.326 1.00 0.26 C ATOM 83 C PRO A 7 -7.588 -5.652 -5.327 1.00 0.26 C ATOM 84 O PRO A 7 -8.432 -4.872 -4.896 1.00 0.26 O ATOM 85 CB PRO A 7 -7.142 -5.035 -7.723 1.00 0.28 C ATOM 86 CG PRO A 7 -6.169 -5.670 -8.661 1.00 0.43 C ATOM 87 CD PRO A 7 -5.468 -6.741 -7.878 1.00 0.29 C ATOM 0 HA PRO A 7 -6.132 -4.266 -5.929 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -8.118 -5.517 -7.785 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -7.290 -3.983 -7.965 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -6.681 -6.092 -9.526 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -5.458 -4.936 -9.039 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -5.984 -7.698 -7.952 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.450 -6.900 -8.233 1.00 0.29 H new ATOM 95 N LYS A 8 -7.543 -6.929 -4.988 1.00 0.30 N ATOM 96 CA LYS A 8 -8.460 -7.500 -4.023 1.00 0.33 C ATOM 97 C LYS A 8 -8.021 -7.162 -2.610 1.00 0.27 C ATOM 98 O LYS A 8 -8.739 -6.506 -1.854 1.00 0.26 O ATOM 99 CB LYS A 8 -8.511 -9.015 -4.206 1.00 0.43 C ATOM 100 CG LYS A 8 -7.183 -9.628 -4.625 1.00 0.77 C ATOM 101 CD LYS A 8 -7.266 -10.280 -6.005 1.00 0.59 C ATOM 102 CE LYS A 8 -7.770 -9.327 -7.077 1.00 0.73 C ATOM 103 NZ LYS A 8 -9.257 -9.234 -7.105 1.00 1.39 N ATOM 0 H LYS A 8 -6.873 -7.594 -5.373 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.453 -7.081 -4.185 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -8.833 -9.474 -3.271 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -9.264 -9.256 -4.956 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -6.414 -8.856 -4.634 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -6.879 -10.373 -3.889 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -6.280 -10.649 -6.288 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -7.927 -11.145 -5.954 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -7.350 -8.336 -6.904 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -7.412 -9.659 -8.051 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -9.592 -9.317 -8.086 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -9.664 -10.002 -6.534 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -9.555 -8.317 -6.714 1.00 1.39 H new ATOM 117 N SER A 9 -6.830 -7.622 -2.270 1.00 0.26 N ATOM 118 CA SER A 9 -6.260 -7.390 -0.948 1.00 0.26 C ATOM 119 C SER A 9 -5.882 -5.928 -0.735 1.00 0.19 C ATOM 120 O SER A 9 -6.075 -5.387 0.353 1.00 0.23 O ATOM 121 CB SER A 9 -5.038 -8.285 -0.739 1.00 0.33 C ATOM 122 OG SER A 9 -5.413 -9.648 -0.639 1.00 0.71 O ATOM 0 H SER A 9 -6.232 -8.163 -2.895 1.00 0.26 H new ATOM 0 HA SER A 9 -7.025 -7.640 -0.213 1.00 0.26 H new ATOM 0 HB2 SER A 9 -4.343 -8.156 -1.569 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.513 -7.982 0.167 1.00 0.33 H new ATOM 0 HG SER A 9 -4.613 -10.199 -0.507 1.00 0.71 H new ATOM 128 N LEU A 10 -5.340 -5.289 -1.766 1.00 0.15 N ATOM 129 CA LEU A 10 -4.945 -3.889 -1.661 1.00 0.20 C ATOM 130 C LEU A 10 -6.145 -3.002 -1.375 1.00 0.19 C ATOM 131 O LEU A 10 -5.992 -1.834 -1.030 1.00 0.27 O ATOM 132 CB LEU A 10 -4.259 -3.406 -2.942 1.00 0.24 C ATOM 133 CG LEU A 10 -2.956 -4.128 -3.311 1.00 0.27 C ATOM 134 CD1 LEU A 10 -2.280 -3.444 -4.489 1.00 0.47 C ATOM 135 CD2 LEU A 10 -2.012 -4.184 -2.120 1.00 0.50 C ATOM 0 H LEU A 10 -5.165 -5.714 -2.677 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.240 -3.819 -0.832 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -4.960 -3.513 -3.770 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -4.047 -2.342 -2.840 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.206 -5.149 -3.599 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.358 -3.971 -4.735 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -2.948 -3.459 -5.350 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -2.049 -2.412 -4.227 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.096 -4.700 -2.406 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.772 -3.171 -1.798 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.491 -4.721 -1.301 1.00 0.50 H new ATOM 147 N THR A 11 -7.342 -3.554 -1.517 1.00 0.14 N ATOM 148 CA THR A 11 -8.547 -2.774 -1.276 1.00 0.18 C ATOM 149 C THR A 11 -9.418 -3.417 -0.205 1.00 0.15 C ATOM 150 O THR A 11 -10.615 -3.144 -0.113 1.00 0.18 O ATOM 151 CB THR A 11 -9.356 -2.597 -2.571 1.00 0.25 C ATOM 152 OG1 THR A 11 -10.064 -3.804 -2.875 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.437 -2.241 -3.734 1.00 0.35 C ATOM 0 H THR A 11 -7.504 -4.523 -1.793 1.00 0.14 H new ATOM 0 HA THR A 11 -8.232 -1.793 -0.921 1.00 0.18 H new ATOM 0 HB THR A 11 -10.068 -1.785 -2.422 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.594 -4.289 -3.585 1.00 0.31 H new ATOM 0 HG21 THR A 11 -9.029 -2.120 -4.641 1.00 0.35 H new ATOM 0 HG22 THR A 11 -7.916 -1.309 -3.514 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.709 -3.039 -3.880 1.00 0.35 H new ATOM 161 N ASP A 12 -8.803 -4.271 0.604 1.00 0.11 N ATOM 162 CA ASP A 12 -9.501 -4.947 1.684 1.00 0.12 C ATOM 163 C ASP A 12 -9.013 -4.392 3.015 1.00 0.11 C ATOM 164 O ASP A 12 -7.853 -4.590 3.377 1.00 0.10 O ATOM 165 CB ASP A 12 -9.260 -6.456 1.615 1.00 0.14 C ATOM 166 CG ASP A 12 -9.953 -7.206 2.736 1.00 0.24 C ATOM 167 OD1 ASP A 12 -11.063 -6.792 3.133 1.00 0.57 O ATOM 168 OD2 ASP A 12 -9.389 -8.213 3.214 1.00 0.51 O ATOM 0 H ASP A 12 -7.815 -4.511 0.529 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.573 -4.772 1.588 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.614 -6.834 0.656 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.189 -6.652 1.659 1.00 0.14 H new ATOM 173 N PRO A 13 -9.879 -3.679 3.760 1.00 0.11 N ATOM 174 CA PRO A 13 -9.507 -3.081 5.040 1.00 0.11 C ATOM 175 C PRO A 13 -8.701 -4.014 5.938 1.00 0.12 C ATOM 176 O PRO A 13 -8.029 -3.559 6.861 1.00 0.13 O ATOM 177 CB PRO A 13 -10.853 -2.754 5.674 1.00 0.12 C ATOM 178 CG PRO A 13 -11.718 -2.434 4.512 1.00 0.12 C ATOM 179 CD PRO A 13 -11.283 -3.372 3.413 1.00 0.11 C ATOM 0 HA PRO A 13 -8.855 -2.219 4.902 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.243 -3.597 6.244 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.778 -1.912 6.362 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.771 -2.577 4.756 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.599 -1.394 4.209 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -11.897 -4.273 3.387 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.361 -2.905 2.431 1.00 0.11 H new ATOM 187 N LYS A 14 -8.780 -5.317 5.685 1.00 0.13 N ATOM 188 CA LYS A 14 -8.029 -6.277 6.485 1.00 0.15 C ATOM 189 C LYS A 14 -6.541 -5.983 6.347 1.00 0.13 C ATOM 190 O LYS A 14 -5.832 -5.805 7.339 1.00 0.16 O ATOM 191 CB LYS A 14 -8.331 -7.711 6.043 1.00 0.18 C ATOM 192 CG LYS A 14 -8.216 -8.739 7.164 1.00 0.34 C ATOM 193 CD LYS A 14 -6.824 -8.760 7.784 1.00 0.60 C ATOM 194 CE LYS A 14 -5.761 -9.140 6.765 1.00 0.54 C ATOM 195 NZ LYS A 14 -6.006 -10.488 6.181 1.00 1.37 N ATOM 0 H LYS A 14 -9.348 -5.727 4.944 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.327 -6.181 7.529 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.339 -7.749 5.630 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.647 -7.985 5.240 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -8.953 -8.516 7.936 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.453 -9.729 6.773 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.596 -7.779 8.199 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -6.805 -9.469 8.612 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -5.741 -8.397 5.967 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -4.780 -9.123 7.240 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -5.165 -10.795 5.652 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -6.202 -11.167 6.944 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -6.823 -10.445 5.538 1.00 1.37 H new ATOM 209 N LEU A 15 -6.079 -5.931 5.104 1.00 0.09 N ATOM 210 CA LEU A 15 -4.688 -5.634 4.809 1.00 0.08 C ATOM 211 C LEU A 15 -4.402 -4.167 5.062 1.00 0.08 C ATOM 212 O LEU A 15 -3.409 -3.809 5.683 1.00 0.09 O ATOM 213 CB LEU A 15 -4.377 -5.949 3.343 1.00 0.08 C ATOM 214 CG LEU A 15 -4.380 -7.428 2.962 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.421 -8.188 3.852 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.784 -8.009 3.052 1.00 0.12 C ATOM 0 H LEU A 15 -6.656 -6.093 4.279 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.064 -6.249 5.457 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.105 -5.432 2.718 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.398 -5.534 3.102 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.049 -7.525 1.928 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.427 -9.243 3.576 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.415 -7.786 3.730 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.729 -8.083 4.892 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.760 -9.063 2.776 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.154 -7.909 4.072 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.445 -7.471 2.372 1.00 0.12 H new ATOM 228 N LEU A 16 -5.294 -3.329 4.567 1.00 0.10 N ATOM 229 CA LEU A 16 -5.166 -1.890 4.704 1.00 0.12 C ATOM 230 C LEU A 16 -4.894 -1.484 6.151 1.00 0.16 C ATOM 231 O LEU A 16 -3.957 -0.735 6.426 1.00 0.27 O ATOM 232 CB LEU A 16 -6.438 -1.229 4.179 1.00 0.10 C ATOM 233 CG LEU A 16 -6.840 -1.666 2.770 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.260 -1.227 2.449 1.00 0.10 C ATOM 235 CD2 LEU A 16 -5.859 -1.108 1.751 1.00 0.18 C ATOM 0 H LEU A 16 -6.127 -3.626 4.059 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.311 -1.553 4.118 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.257 -1.451 4.863 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.301 -0.148 4.186 1.00 0.10 H new ATOM 0 HG LEU A 16 -6.810 -2.755 2.723 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.522 -1.550 1.441 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -8.950 -1.675 3.164 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.328 -0.141 2.511 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.154 -1.425 0.751 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.861 -0.019 1.802 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -4.858 -1.479 1.969 1.00 0.18 H new ATOM 247 N LYS A 17 -5.715 -1.976 7.072 1.00 0.14 N ATOM 248 CA LYS A 17 -5.542 -1.668 8.487 1.00 0.17 C ATOM 249 C LYS A 17 -4.286 -2.347 9.023 1.00 0.18 C ATOM 250 O LYS A 17 -3.718 -1.927 10.031 1.00 0.22 O ATOM 251 CB LYS A 17 -6.769 -2.109 9.284 1.00 0.19 C ATOM 252 CG LYS A 17 -8.026 -1.343 8.921 1.00 0.20 C ATOM 253 CD LYS A 17 -9.251 -1.940 9.589 1.00 0.24 C ATOM 254 CE LYS A 17 -10.488 -1.108 9.311 1.00 0.31 C ATOM 255 NZ LYS A 17 -11.693 -1.655 9.993 1.00 0.88 N ATOM 0 H LYS A 17 -6.505 -2.588 6.865 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.430 -0.589 8.598 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -6.939 -3.173 9.117 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.568 -1.981 10.348 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -7.918 -0.301 9.221 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.159 -1.351 7.839 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.405 -2.957 9.229 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.087 -2.004 10.665 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.318 -0.084 9.642 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -10.666 -1.070 8.236 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.346 -0.878 10.220 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -12.168 -2.335 9.366 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -11.407 -2.135 10.870 1.00 0.88 H new ATOM 269 N ASN A 18 -3.866 -3.401 8.333 1.00 0.14 N ATOM 270 CA ASN A 18 -2.668 -4.143 8.701 1.00 0.15 C ATOM 271 C ASN A 18 -1.624 -3.967 7.609 1.00 0.13 C ATOM 272 O ASN A 18 -1.262 -4.924 6.933 1.00 0.11 O ATOM 273 CB ASN A 18 -2.991 -5.634 8.873 1.00 0.16 C ATOM 274 CG ASN A 18 -2.052 -6.326 9.842 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.412 -5.680 10.673 1.00 0.50 O ATOM 276 ND2 ASN A 18 -1.978 -7.649 9.751 1.00 0.53 N ATOM 0 H ASN A 18 -4.344 -3.763 7.508 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.286 -3.761 9.648 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.016 -5.741 9.227 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.935 -6.128 7.903 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.373 -8.171 10.385 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.526 -8.143 9.047 1.00 0.53 H new ATOM 283 N ILE A 19 -1.159 -2.728 7.436 1.00 0.13 N ATOM 284 CA ILE A 19 -0.174 -2.407 6.406 1.00 0.12 C ATOM 285 C ILE A 19 0.864 -3.518 6.231 1.00 0.10 C ATOM 286 O ILE A 19 1.115 -3.939 5.106 1.00 0.09 O ATOM 287 CB ILE A 19 0.532 -1.063 6.678 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.433 0.108 6.447 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.763 -0.914 5.793 1.00 0.19 C ATOM 290 CD1 ILE A 19 -0.970 0.196 5.028 1.00 0.49 C ATOM 0 H ILE A 19 -1.451 -1.929 7.999 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.734 -2.317 5.475 1.00 0.12 H new ATOM 0 HB ILE A 19 0.852 -1.051 7.720 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.272 0.016 7.137 1.00 0.20 H new ATOM 0 HG13 ILE A 19 0.078 1.040 6.690 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.247 0.041 6.000 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.460 -1.726 5.999 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.464 -0.950 4.745 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.644 1.049 4.946 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.140 0.321 4.332 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.511 -0.719 4.786 1.00 0.49 H new ATOM 302 N PRO A 20 1.509 -3.997 7.315 1.00 0.12 N ATOM 303 CA PRO A 20 2.485 -5.084 7.208 1.00 0.12 C ATOM 304 C PRO A 20 1.933 -6.220 6.359 1.00 0.11 C ATOM 305 O PRO A 20 2.594 -6.737 5.460 1.00 0.14 O ATOM 306 CB PRO A 20 2.649 -5.540 8.653 1.00 0.14 C ATOM 307 CG PRO A 20 2.417 -4.307 9.452 1.00 0.15 C ATOM 308 CD PRO A 20 1.366 -3.523 8.708 1.00 0.14 C ATOM 0 HA PRO A 20 3.419 -4.776 6.738 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.933 -6.321 8.908 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.643 -5.949 8.831 1.00 0.14 H new ATOM 0 HG2 PRO A 20 2.081 -4.552 10.460 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.336 -3.729 9.554 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.367 -3.718 9.099 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.535 -2.449 8.787 1.00 0.14 H new ATOM 316 N MET A 21 0.700 -6.591 6.677 1.00 0.10 N ATOM 317 CA MET A 21 -0.018 -7.639 5.970 1.00 0.10 C ATOM 318 C MET A 21 -0.297 -7.188 4.538 1.00 0.08 C ATOM 319 O MET A 21 -0.147 -7.952 3.586 1.00 0.10 O ATOM 320 CB MET A 21 -1.323 -7.912 6.717 1.00 0.13 C ATOM 321 CG MET A 21 -1.840 -9.333 6.599 1.00 0.25 C ATOM 322 SD MET A 21 -1.532 -10.323 8.079 1.00 0.94 S ATOM 323 CE MET A 21 0.193 -9.967 8.399 1.00 0.54 C ATOM 0 H MET A 21 0.168 -6.169 7.438 1.00 0.10 H new ATOM 0 HA MET A 21 0.574 -8.553 5.929 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.176 -7.680 7.772 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.088 -7.230 6.344 1.00 0.13 H new ATOM 0 HG2 MET A 21 -2.912 -9.308 6.402 1.00 0.25 H new ATOM 0 HG3 MET A 21 -1.369 -9.815 5.742 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.623 -10.765 9.005 1.00 0.54 H new ATOM 0 HE2 MET A 21 0.732 -9.898 7.454 1.00 0.54 H new ATOM 0 HE3 MET A 21 0.276 -9.021 8.933 1.00 0.54 H new ATOM 333 N TRP A 22 -0.734 -5.940 4.409 1.00 0.06 N ATOM 334 CA TRP A 22 -1.002 -5.332 3.117 1.00 0.06 C ATOM 335 C TRP A 22 0.218 -5.466 2.220 1.00 0.06 C ATOM 336 O TRP A 22 0.107 -5.658 1.009 1.00 0.08 O ATOM 337 CB TRP A 22 -1.352 -3.859 3.335 1.00 0.07 C ATOM 338 CG TRP A 22 -1.767 -3.129 2.100 1.00 0.08 C ATOM 339 CD1 TRP A 22 -2.992 -3.163 1.499 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.959 -2.242 1.322 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.994 -2.353 0.391 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.758 -1.779 0.258 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.365 -1.795 1.417 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.281 -0.894 -0.703 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.837 -0.913 0.459 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.016 -0.473 -0.589 1.00 0.11 C ATOM 0 H TRP A 22 -0.912 -5.323 5.201 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.838 -5.835 2.630 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.157 -3.795 4.067 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.488 -3.354 3.767 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.836 -3.742 1.844 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.787 -2.203 -0.232 1.00 0.10 H new ATOM 0 HE3 TRP A 22 1.004 -2.131 2.220 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.912 -0.551 -1.510 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.855 -0.558 0.520 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.416 0.213 -1.322 1.00 0.11 H new ATOM 357 N LEU A 23 1.384 -5.362 2.839 1.00 0.06 N ATOM 358 CA LEU A 23 2.649 -5.479 2.143 1.00 0.08 C ATOM 359 C LEU A 23 2.962 -6.935 1.835 1.00 0.10 C ATOM 360 O LEU A 23 3.699 -7.232 0.899 1.00 0.13 O ATOM 361 CB LEU A 23 3.758 -4.883 3.000 1.00 0.09 C ATOM 362 CG LEU A 23 3.709 -3.366 3.156 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.738 -2.909 4.174 1.00 0.10 C ATOM 364 CD2 LEU A 23 3.942 -2.683 1.818 1.00 0.10 C ATOM 0 H LEU A 23 1.476 -5.194 3.841 1.00 0.06 H new ATOM 0 HA LEU A 23 2.581 -4.935 1.201 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.715 -5.336 3.990 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.719 -5.157 2.566 1.00 0.09 H new ATOM 0 HG LEU A 23 2.718 -3.086 3.514 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.693 -1.825 4.276 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.528 -3.373 5.138 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.734 -3.201 3.841 1.00 0.10 H new ATOM 0 HD21 LEU A 23 3.903 -1.602 1.950 1.00 0.10 H new ATOM 0 HD22 LEU A 23 4.920 -2.967 1.430 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.169 -2.990 1.113 1.00 0.10 H new ATOM 376 N LYS A 24 2.408 -7.841 2.636 1.00 0.10 N ATOM 377 CA LYS A 24 2.621 -9.256 2.444 1.00 0.13 C ATOM 378 C LYS A 24 2.083 -9.693 1.088 1.00 0.13 C ATOM 379 O LYS A 24 2.661 -10.554 0.426 1.00 0.16 O ATOM 380 CB LYS A 24 1.939 -10.019 3.564 1.00 0.17 C ATOM 381 CG LYS A 24 2.906 -10.687 4.521 1.00 0.51 C ATOM 382 CD LYS A 24 2.679 -12.183 4.572 1.00 1.24 C ATOM 383 CE LYS A 24 1.260 -12.499 5.005 1.00 2.30 C ATOM 384 NZ LYS A 24 1.112 -12.478 6.487 1.00 3.29 N ATOM 0 H LYS A 24 1.806 -7.609 3.426 1.00 0.10 H new ATOM 0 HA LYS A 24 3.690 -9.470 2.466 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.302 -9.334 4.124 1.00 0.17 H new ATOM 0 HB3 LYS A 24 1.287 -10.778 3.131 1.00 0.17 H new ATOM 0 HG2 LYS A 24 3.930 -10.482 4.209 1.00 0.51 H new ATOM 0 HG3 LYS A 24 2.786 -10.264 5.518 1.00 0.51 H new ATOM 0 HD2 LYS A 24 2.870 -12.618 3.591 1.00 1.24 H new ATOM 0 HD3 LYS A 24 3.386 -12.639 5.266 1.00 1.24 H new ATOM 0 HE2 LYS A 24 0.576 -11.775 4.562 1.00 2.30 H new ATOM 0 HE3 LYS A 24 0.975 -13.480 4.626 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 0.105 -12.393 6.734 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 1.493 -13.359 6.886 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 1.634 -11.667 6.877 1.00 3.29 H new ATOM 398 N SER A 25 0.967 -9.088 0.682 1.00 0.13 N ATOM 399 CA SER A 25 0.362 -9.394 -0.607 1.00 0.15 C ATOM 400 C SER A 25 1.168 -8.735 -1.721 1.00 0.14 C ATOM 401 O SER A 25 0.945 -8.986 -2.905 1.00 0.20 O ATOM 402 CB SER A 25 -1.096 -8.917 -0.649 1.00 0.20 C ATOM 403 OG SER A 25 -1.882 -9.594 0.315 1.00 0.96 O ATOM 0 H SER A 25 0.467 -8.386 1.228 1.00 0.13 H new ATOM 0 HA SER A 25 0.369 -10.474 -0.751 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.136 -7.843 -0.466 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.509 -9.087 -1.643 1.00 0.20 H new ATOM 0 HG SER A 25 -2.608 -9.008 0.616 1.00 0.96 H new ATOM 409 N LEU A 26 2.112 -7.887 -1.317 1.00 0.12 N ATOM 410 CA LEU A 26 2.980 -7.181 -2.252 1.00 0.13 C ATOM 411 C LEU A 26 4.423 -7.637 -2.081 1.00 0.16 C ATOM 412 O LEU A 26 5.308 -7.215 -2.821 1.00 0.28 O ATOM 413 CB LEU A 26 2.901 -5.670 -2.018 1.00 0.14 C ATOM 414 CG LEU A 26 1.496 -5.072 -2.041 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.536 -3.604 -1.648 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.868 -5.241 -3.415 1.00 0.66 C ATOM 0 H LEU A 26 2.295 -7.672 -0.337 1.00 0.12 H new ATOM 0 HA LEU A 26 2.644 -7.408 -3.264 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.356 -5.445 -1.054 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.502 -5.171 -2.778 1.00 0.14 H new ATOM 0 HG LEU A 26 0.882 -5.605 -1.315 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.526 -3.194 -1.670 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.945 -3.508 -0.642 1.00 0.38 H new ATOM 0 HD13 LEU A 26 2.165 -3.056 -2.350 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.133 -4.809 -3.413 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.481 -4.734 -4.160 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.805 -6.302 -3.658 1.00 0.66 H new ATOM 428 N ARG A 27 4.642 -8.499 -1.088 1.00 0.15 N ATOM 429 CA ARG A 27 5.970 -9.024 -0.777 1.00 0.21 C ATOM 430 C ARG A 27 6.852 -7.962 -0.125 1.00 0.21 C ATOM 431 O ARG A 27 8.010 -8.226 0.202 1.00 0.35 O ATOM 432 CB ARG A 27 6.656 -9.587 -2.027 1.00 0.31 C ATOM 433 CG ARG A 27 6.305 -11.039 -2.306 1.00 1.11 C ATOM 434 CD ARG A 27 6.907 -11.964 -1.261 1.00 2.02 C ATOM 435 NE ARG A 27 8.365 -11.996 -1.336 1.00 2.71 N ATOM 436 CZ ARG A 27 9.110 -12.970 -0.823 1.00 3.55 C ATOM 437 NH1 ARG A 27 8.538 -13.987 -0.193 1.00 3.89 N ATOM 438 NH2 ARG A 27 10.430 -12.926 -0.940 1.00 4.34 N ATOM 0 H ARG A 27 3.905 -8.852 -0.478 1.00 0.15 H new ATOM 0 HA ARG A 27 5.832 -9.838 -0.065 1.00 0.21 H new ATOM 0 HB2 ARG A 27 6.377 -8.981 -2.889 1.00 0.31 H new ATOM 0 HB3 ARG A 27 7.736 -9.498 -1.911 1.00 0.31 H new ATOM 0 HG2 ARG A 27 5.222 -11.157 -2.318 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.668 -11.319 -3.295 1.00 1.11 H new ATOM 0 HD2 ARG A 27 6.602 -11.636 -0.267 1.00 2.02 H new ATOM 0 HD3 ARG A 27 6.514 -12.971 -1.399 1.00 2.02 H new ATOM 0 HE ARG A 27 8.839 -11.227 -1.809 1.00 2.71 H new ATOM 0 HH11 ARG A 27 7.523 -14.024 -0.101 1.00 3.89 H new ATOM 0 HH12 ARG A 27 9.113 -14.732 0.199 1.00 3.89 H new ATOM 0 HH21 ARG A 27 10.873 -12.145 -1.423 1.00 4.34 H new ATOM 0 HH22 ARG A 27 11.002 -13.673 -0.546 1.00 4.34 H new ATOM 452 N LEU A 28 6.307 -6.760 0.065 1.00 0.14 N ATOM 453 CA LEU A 28 7.062 -5.683 0.698 1.00 0.14 C ATOM 454 C LEU A 28 6.933 -5.743 2.211 1.00 0.13 C ATOM 455 O LEU A 28 7.180 -4.749 2.892 1.00 0.13 O ATOM 456 CB LEU A 28 6.602 -4.302 0.209 1.00 0.16 C ATOM 457 CG LEU A 28 7.100 -3.863 -1.164 1.00 0.21 C ATOM 458 CD1 LEU A 28 8.612 -3.906 -1.234 1.00 0.67 C ATOM 459 CD2 LEU A 28 6.478 -4.706 -2.246 1.00 0.67 C ATOM 0 H LEU A 28 5.356 -6.511 -0.208 1.00 0.14 H new ATOM 0 HA LEU A 28 8.105 -5.824 0.416 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.512 -4.291 0.196 1.00 0.16 H new ATOM 0 HB3 LEU A 28 6.919 -3.559 0.940 1.00 0.16 H new ATOM 0 HG LEU A 28 6.794 -2.829 -1.324 1.00 0.21 H new ATOM 0 HD11 LEU A 28 8.940 -3.588 -2.224 1.00 0.67 H new ATOM 0 HD12 LEU A 28 9.030 -3.238 -0.481 1.00 0.67 H new ATOM 0 HD13 LEU A 28 8.956 -4.923 -1.047 1.00 0.67 H new ATOM 0 HD21 LEU A 28 6.845 -4.378 -3.219 1.00 0.67 H new ATOM 0 HD22 LEU A 28 6.744 -5.752 -2.091 1.00 0.67 H new ATOM 0 HD23 LEU A 28 5.394 -4.599 -2.212 1.00 0.67 H new ATOM 471 N HIS A 29 6.520 -6.894 2.747 1.00 0.13 N ATOM 472 CA HIS A 29 6.429 -7.039 4.195 1.00 0.13 C ATOM 473 C HIS A 29 7.817 -6.813 4.763 1.00 0.12 C ATOM 474 O HIS A 29 8.013 -6.652 5.966 1.00 0.13 O ATOM 475 CB HIS A 29 5.908 -8.419 4.594 1.00 0.14 C ATOM 476 CG HIS A 29 6.700 -9.551 4.016 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.319 -10.231 2.878 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.858 -10.125 4.423 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.205 -11.173 2.612 1.00 0.20 C ATOM 480 NE2 HIS A 29 8.148 -11.129 3.534 1.00 0.24 N ATOM 0 H HIS A 29 6.250 -7.719 2.212 1.00 0.13 H new ATOM 0 HA HIS A 29 5.721 -6.311 4.592 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.915 -8.500 5.681 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.870 -8.512 4.274 1.00 0.14 H new ATOM 0 HD2 HIS A 29 8.443 -9.845 5.286 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.165 -11.862 1.781 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.962 -11.743 3.579 1.00 0.24 H new ATOM 489 N LYS A 30 8.776 -6.828 3.849 1.00 0.12 N ATOM 490 CA LYS A 30 10.169 -6.585 4.156 1.00 0.12 C ATOM 491 C LYS A 30 10.297 -5.211 4.794 1.00 0.11 C ATOM 492 O LYS A 30 11.111 -4.985 5.690 1.00 0.17 O ATOM 493 CB LYS A 30 10.974 -6.643 2.855 1.00 0.15 C ATOM 494 CG LYS A 30 10.294 -5.954 1.691 1.00 0.28 C ATOM 495 CD LYS A 30 11.207 -5.882 0.481 1.00 0.59 C ATOM 496 CE LYS A 30 11.079 -7.102 -0.374 1.00 0.65 C ATOM 497 NZ LYS A 30 12.246 -7.282 -1.282 1.00 0.72 N ATOM 0 H LYS A 30 8.601 -7.012 2.861 1.00 0.12 H new ATOM 0 HA LYS A 30 10.549 -7.337 4.848 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.949 -6.183 3.020 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.153 -7.686 2.595 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.383 -6.492 1.430 1.00 0.28 H new ATOM 0 HG3 LYS A 30 9.997 -4.947 1.985 1.00 0.28 H new ATOM 0 HD2 LYS A 30 10.965 -4.997 -0.107 1.00 0.59 H new ATOM 0 HD3 LYS A 30 12.241 -5.773 0.809 1.00 0.59 H new ATOM 0 HE2 LYS A 30 10.979 -7.981 0.263 1.00 0.65 H new ATOM 0 HE3 LYS A 30 10.167 -7.033 -0.967 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 12.112 -8.140 -1.854 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 12.328 -6.457 -1.910 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 13.114 -7.375 -0.717 1.00 0.72 H new ATOM 511 N TYR A 31 9.464 -4.303 4.302 1.00 0.10 N ATOM 512 CA TYR A 31 9.408 -2.935 4.782 1.00 0.10 C ATOM 513 C TYR A 31 8.141 -2.717 5.594 1.00 0.11 C ATOM 514 O TYR A 31 7.634 -1.600 5.688 1.00 0.16 O ATOM 515 CB TYR A 31 9.439 -1.983 3.595 1.00 0.12 C ATOM 516 CG TYR A 31 10.668 -2.149 2.733 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.941 -1.955 3.257 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.556 -2.508 1.396 1.00 0.16 C ATOM 519 CE1 TYR A 31 13.068 -2.112 2.471 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.679 -2.666 0.605 1.00 0.20 C ATOM 521 CZ TYR A 31 12.931 -2.466 1.146 1.00 0.23 C ATOM 522 OH TYR A 31 14.050 -2.623 0.360 1.00 0.28 O ATOM 0 H TYR A 31 8.803 -4.501 3.551 1.00 0.10 H new ATOM 0 HA TYR A 31 10.268 -2.742 5.423 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.550 -2.144 2.985 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.394 -0.957 3.959 1.00 0.12 H new ATOM 0 HD1 TYR A 31 12.052 -1.677 4.295 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.577 -2.666 0.968 1.00 0.16 H new ATOM 0 HE1 TYR A 31 14.050 -1.958 2.893 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.576 -2.945 -0.433 1.00 0.20 H new ATOM 0 HH TYR A 31 13.779 -2.874 -0.548 1.00 0.28 H new ATOM 532 N SER A 32 7.632 -3.800 6.173 1.00 0.10 N ATOM 533 CA SER A 32 6.421 -3.736 6.976 1.00 0.12 C ATOM 534 C SER A 32 6.627 -2.834 8.175 1.00 0.13 C ATOM 535 O SER A 32 5.790 -1.996 8.479 1.00 0.16 O ATOM 536 CB SER A 32 6.005 -5.132 7.440 1.00 0.13 C ATOM 537 OG SER A 32 7.003 -5.714 8.261 1.00 1.30 O ATOM 0 H SER A 32 8.041 -4.731 6.100 1.00 0.10 H new ATOM 0 HA SER A 32 5.625 -3.323 6.356 1.00 0.12 H new ATOM 0 HB2 SER A 32 5.066 -5.071 7.991 1.00 0.13 H new ATOM 0 HB3 SER A 32 5.826 -5.768 6.573 1.00 0.13 H new ATOM 0 HG SER A 32 7.639 -6.207 7.702 1.00 1.30 H new ATOM 543 N ASP A 33 7.749 -3.014 8.853 1.00 0.12 N ATOM 544 CA ASP A 33 8.069 -2.207 10.025 1.00 0.14 C ATOM 545 C ASP A 33 8.187 -0.731 9.660 1.00 0.14 C ATOM 546 O ASP A 33 7.810 0.147 10.437 1.00 0.20 O ATOM 547 CB ASP A 33 9.378 -2.684 10.649 1.00 0.17 C ATOM 548 CG ASP A 33 9.503 -2.286 12.107 1.00 1.10 C ATOM 549 OD1 ASP A 33 9.061 -3.067 12.976 1.00 1.00 O ATOM 550 OD2 ASP A 33 10.041 -1.192 12.380 1.00 2.21 O ATOM 0 H ASP A 33 8.455 -3.711 8.614 1.00 0.12 H new ATOM 0 HA ASP A 33 7.258 -2.323 10.744 1.00 0.14 H new ATOM 0 HB2 ASP A 33 9.443 -3.769 10.565 1.00 0.17 H new ATOM 0 HB3 ASP A 33 10.216 -2.270 10.089 1.00 0.17 H new ATOM 555 N ALA A 34 8.713 -0.468 8.469 1.00 0.12 N ATOM 556 CA ALA A 34 8.905 0.898 7.990 1.00 0.13 C ATOM 557 C ALA A 34 7.612 1.528 7.486 1.00 0.12 C ATOM 558 O ALA A 34 7.437 2.743 7.565 1.00 0.15 O ATOM 559 CB ALA A 34 9.951 0.920 6.890 1.00 0.15 C ATOM 0 H ALA A 34 9.016 -1.188 7.813 1.00 0.12 H new ATOM 0 HA ALA A 34 9.245 1.491 8.839 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.088 1.943 6.539 1.00 0.15 H new ATOM 0 HB2 ALA A 34 10.896 0.540 7.279 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.621 0.293 6.062 1.00 0.15 H new ATOM 565 N LEU A 35 6.709 0.704 6.976 1.00 0.10 N ATOM 566 CA LEU A 35 5.450 1.203 6.437 1.00 0.09 C ATOM 567 C LEU A 35 4.285 0.997 7.400 1.00 0.09 C ATOM 568 O LEU A 35 3.213 1.572 7.212 1.00 0.12 O ATOM 569 CB LEU A 35 5.151 0.507 5.107 1.00 0.09 C ATOM 570 CG LEU A 35 5.819 1.099 3.854 1.00 0.19 C ATOM 571 CD1 LEU A 35 6.913 2.111 4.196 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.382 -0.020 2.986 1.00 0.14 C ATOM 0 H LEU A 35 6.822 -0.308 6.923 1.00 0.10 H new ATOM 0 HA LEU A 35 5.560 2.277 6.285 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.453 -0.537 5.193 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.072 0.515 4.954 1.00 0.09 H new ATOM 0 HG LEU A 35 5.051 1.639 3.301 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.351 2.498 3.276 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.482 2.934 4.766 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.687 1.624 4.790 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.853 0.408 2.101 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.122 -0.584 3.554 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.574 -0.685 2.681 1.00 0.14 H new ATOM 584 N SER A 36 4.492 0.188 8.431 1.00 0.10 N ATOM 585 CA SER A 36 3.436 -0.089 9.400 1.00 0.10 C ATOM 586 C SER A 36 3.031 1.181 10.137 1.00 0.10 C ATOM 587 O SER A 36 1.845 1.439 10.340 1.00 0.11 O ATOM 588 CB SER A 36 3.885 -1.148 10.408 1.00 0.13 C ATOM 589 OG SER A 36 2.867 -1.412 11.359 1.00 0.95 O ATOM 0 H SER A 36 5.375 -0.286 8.619 1.00 0.10 H new ATOM 0 HA SER A 36 2.575 -0.469 8.851 1.00 0.10 H new ATOM 0 HB2 SER A 36 4.144 -2.068 9.883 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.786 -0.809 10.920 1.00 0.13 H new ATOM 0 HG SER A 36 3.178 -2.093 11.991 1.00 0.95 H new ATOM 595 N GLY A 37 4.027 1.967 10.538 1.00 0.12 N ATOM 596 CA GLY A 37 3.756 3.206 11.245 1.00 0.13 C ATOM 597 C GLY A 37 2.863 4.132 10.446 1.00 0.12 C ATOM 598 O GLY A 37 2.323 5.102 10.980 1.00 0.15 O ATOM 0 H GLY A 37 5.016 1.768 10.386 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.283 2.982 12.201 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.697 3.711 11.466 1.00 0.13 H new ATOM 602 N THR A 38 2.710 3.829 9.162 1.00 0.08 N ATOM 603 CA THR A 38 1.879 4.629 8.279 1.00 0.08 C ATOM 604 C THR A 38 0.688 3.811 7.778 1.00 0.07 C ATOM 605 O THR A 38 0.869 2.716 7.256 1.00 0.08 O ATOM 606 CB THR A 38 2.688 5.144 7.072 1.00 0.09 C ATOM 607 OG1 THR A 38 3.889 5.779 7.525 1.00 0.11 O ATOM 608 CG2 THR A 38 1.868 6.131 6.260 1.00 0.11 C ATOM 0 H THR A 38 3.155 3.030 8.710 1.00 0.08 H new ATOM 0 HA THR A 38 1.517 5.484 8.851 1.00 0.08 H new ATOM 0 HB THR A 38 2.941 4.293 6.439 1.00 0.09 H new ATOM 0 HG1 THR A 38 4.058 6.580 6.987 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.457 6.483 5.413 1.00 0.11 H new ATOM 0 HG22 THR A 38 0.965 5.641 5.896 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.593 6.979 6.888 1.00 0.11 H new ATOM 616 N PRO A 39 -0.548 4.329 7.932 1.00 0.07 N ATOM 617 CA PRO A 39 -1.769 3.635 7.490 1.00 0.08 C ATOM 618 C PRO A 39 -1.836 3.512 5.980 1.00 0.07 C ATOM 619 O PRO A 39 -0.939 3.979 5.285 1.00 0.07 O ATOM 620 CB PRO A 39 -2.891 4.549 7.980 1.00 0.09 C ATOM 621 CG PRO A 39 -2.253 5.886 8.031 1.00 0.09 C ATOM 622 CD PRO A 39 -0.864 5.632 8.534 1.00 0.09 C ATOM 0 HA PRO A 39 -1.821 2.617 7.876 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.743 4.537 7.301 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.259 4.243 8.959 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.237 6.354 7.047 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.797 6.558 8.695 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.168 6.407 8.215 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.825 5.597 9.623 1.00 0.09 H new ATOM 630 N TRP A 40 -2.895 2.891 5.469 1.00 0.07 N ATOM 631 CA TRP A 40 -3.045 2.746 4.030 1.00 0.07 C ATOM 632 C TRP A 40 -3.390 4.084 3.404 1.00 0.07 C ATOM 633 O TRP A 40 -2.768 4.496 2.435 1.00 0.07 O ATOM 634 CB TRP A 40 -4.109 1.704 3.667 1.00 0.08 C ATOM 635 CG TRP A 40 -5.512 2.098 4.028 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.107 1.993 5.253 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.503 2.649 3.147 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.407 2.432 5.184 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.671 2.848 3.908 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.520 2.995 1.792 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.836 3.376 3.363 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.679 3.520 1.255 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.821 3.708 2.039 1.00 0.21 C ATOM 0 H TRP A 40 -3.650 2.486 6.023 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.092 2.394 3.634 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.063 1.514 2.595 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.868 0.766 4.168 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.626 1.620 6.145 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.069 2.446 5.960 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.643 2.854 1.177 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.721 3.518 3.965 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.704 3.790 0.210 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.710 4.124 1.588 1.00 0.21 H new ATOM 654 N ILE A 41 -4.367 4.773 3.985 1.00 0.08 N ATOM 655 CA ILE A 41 -4.797 6.066 3.475 1.00 0.09 C ATOM 656 C ILE A 41 -3.605 6.991 3.257 1.00 0.07 C ATOM 657 O ILE A 41 -3.643 7.882 2.409 1.00 0.08 O ATOM 658 CB ILE A 41 -5.795 6.747 4.430 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.577 7.831 3.689 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.072 7.337 5.636 1.00 0.12 C ATOM 661 CD1 ILE A 41 -8.046 7.511 3.550 1.00 0.45 C ATOM 0 H ILE A 41 -4.875 4.455 4.810 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.292 5.881 2.521 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.497 5.995 4.791 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.466 8.777 4.219 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.146 7.968 2.697 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.796 7.813 6.297 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.556 6.543 6.175 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.347 8.078 5.299 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.545 8.319 3.015 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -8.165 6.581 2.995 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.490 7.402 4.540 1.00 0.45 H new ATOM 673 N GLU A 42 -2.547 6.770 4.032 1.00 0.07 N ATOM 674 CA GLU A 42 -1.345 7.578 3.915 1.00 0.06 C ATOM 675 C GLU A 42 -0.336 6.859 3.034 1.00 0.06 C ATOM 676 O GLU A 42 0.391 7.480 2.261 1.00 0.07 O ATOM 677 CB GLU A 42 -0.748 7.867 5.292 1.00 0.07 C ATOM 678 CG GLU A 42 -1.554 8.870 6.104 1.00 0.09 C ATOM 679 CD GLU A 42 -0.851 9.286 7.381 1.00 1.13 C ATOM 680 OE1 GLU A 42 0.048 10.152 7.309 1.00 1.02 O ATOM 681 OE2 GLU A 42 -1.200 8.752 8.454 1.00 2.15 O ATOM 0 H GLU A 42 -2.501 6.041 4.744 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.603 8.533 3.458 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.675 6.934 5.851 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.267 8.244 5.167 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -1.746 9.753 5.495 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -2.523 8.436 6.352 1.00 0.09 H new ATOM 688 N LEU A 43 -0.311 5.536 3.163 1.00 0.06 N ATOM 689 CA LEU A 43 0.574 4.697 2.367 1.00 0.07 C ATOM 690 C LEU A 43 0.294 4.934 0.894 1.00 0.08 C ATOM 691 O LEU A 43 1.163 5.351 0.131 1.00 0.10 O ATOM 692 CB LEU A 43 0.326 3.227 2.697 1.00 0.08 C ATOM 693 CG LEU A 43 1.529 2.449 3.237 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.652 2.431 2.221 1.00 0.11 C ATOM 695 CD2 LEU A 43 2.013 3.048 4.542 1.00 0.09 C ATOM 0 H LEU A 43 -0.899 5.020 3.817 1.00 0.06 H new ATOM 0 HA LEU A 43 1.611 4.947 2.592 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.478 3.170 3.431 1.00 0.08 H new ATOM 0 HB3 LEU A 43 -0.030 2.728 1.796 1.00 0.08 H new ATOM 0 HG LEU A 43 1.212 1.423 3.424 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.498 1.873 2.623 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.306 1.954 1.304 1.00 0.11 H new ATOM 0 HD13 LEU A 43 2.962 3.453 2.003 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.868 2.480 4.908 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.309 4.084 4.379 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.211 3.011 5.279 1.00 0.09 H new ATOM 707 N ILE A 44 -0.948 4.652 0.515 1.00 0.09 N ATOM 708 CA ILE A 44 -1.418 4.833 -0.847 1.00 0.10 C ATOM 709 C ILE A 44 -1.250 6.277 -1.314 1.00 0.10 C ATOM 710 O ILE A 44 -1.475 6.590 -2.482 1.00 0.15 O ATOM 711 CB ILE A 44 -2.900 4.419 -0.962 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.808 5.381 -0.184 1.00 0.14 C ATOM 713 CG2 ILE A 44 -3.067 3.005 -0.436 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.263 5.317 -0.595 1.00 0.20 C ATOM 0 H ILE A 44 -1.658 4.289 1.151 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.811 4.196 -1.490 1.00 0.10 H new ATOM 0 HB ILE A 44 -3.193 4.460 -2.011 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.731 5.158 0.880 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.446 6.400 -0.323 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -4.113 2.708 -0.515 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.451 2.323 -1.023 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.757 2.966 0.608 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.840 6.025 -0.001 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.354 5.570 -1.651 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.644 4.309 -0.430 1.00 0.20 H new ATOM 726 N TYR A 45 -0.856 7.152 -0.394 1.00 0.08 N ATOM 727 CA TYR A 45 -0.656 8.561 -0.717 1.00 0.08 C ATOM 728 C TYR A 45 0.829 8.930 -0.707 1.00 0.08 C ATOM 729 O TYR A 45 1.209 9.996 -1.191 1.00 0.10 O ATOM 730 CB TYR A 45 -1.424 9.447 0.268 1.00 0.10 C ATOM 731 CG TYR A 45 -2.853 9.763 -0.143 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.609 8.877 -0.912 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.452 10.952 0.256 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.915 9.174 -1.267 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.754 11.253 -0.096 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.480 10.363 -0.857 1.00 0.16 C ATOM 737 OH TYR A 45 -6.777 10.660 -1.207 1.00 0.19 O ATOM 0 H TYR A 45 -0.669 6.911 0.579 1.00 0.08 H new ATOM 0 HA TYR A 45 -1.039 8.729 -1.723 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.440 8.956 1.241 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.881 10.384 0.393 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -3.169 7.945 -1.235 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.889 11.654 0.853 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.487 8.478 -1.862 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.201 12.183 0.224 1.00 0.18 H new ATOM 0 HH TYR A 45 -7.023 11.534 -0.838 1.00 0.19 H new ATOM 747 N LEU A 46 1.665 8.051 -0.150 1.00 0.08 N ATOM 748 CA LEU A 46 3.105 8.296 -0.094 1.00 0.09 C ATOM 749 C LEU A 46 3.698 8.381 -1.491 1.00 0.09 C ATOM 750 O LEU A 46 2.984 8.506 -2.486 1.00 0.11 O ATOM 751 CB LEU A 46 3.835 7.178 0.657 1.00 0.10 C ATOM 752 CG LEU A 46 3.371 6.889 2.085 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.298 5.869 2.729 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.332 8.160 2.919 1.00 0.12 C ATOM 0 H LEU A 46 1.370 7.168 0.266 1.00 0.08 H new ATOM 0 HA LEU A 46 3.238 9.242 0.431 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.739 6.260 0.077 1.00 0.10 H new ATOM 0 HB3 LEU A 46 4.896 7.426 0.688 1.00 0.10 H new ATOM 0 HG LEU A 46 2.360 6.485 2.042 1.00 0.11 H new ATOM 0 HD11 LEU A 46 3.964 5.666 3.747 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.281 4.946 2.150 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.314 6.264 2.752 1.00 0.14 H new ATOM 0 HD21 LEU A 46 2.998 7.922 3.929 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.329 8.599 2.960 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.641 8.871 2.467 1.00 0.12 H new ATOM 766 N ASP A 47 5.021 8.301 -1.549 1.00 0.09 N ATOM 767 CA ASP A 47 5.744 8.341 -2.809 1.00 0.10 C ATOM 768 C ASP A 47 7.036 7.549 -2.686 1.00 0.10 C ATOM 769 O ASP A 47 7.412 7.139 -1.588 1.00 0.16 O ATOM 770 CB ASP A 47 6.057 9.785 -3.211 1.00 0.11 C ATOM 771 CG ASP A 47 4.808 10.631 -3.366 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.232 10.641 -4.474 1.00 1.31 O ATOM 773 OD2 ASP A 47 4.405 11.281 -2.379 1.00 0.96 O ATOM 0 H ASP A 47 5.618 8.207 -0.728 1.00 0.09 H new ATOM 0 HA ASP A 47 5.117 7.896 -3.581 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.705 10.235 -2.459 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.610 9.785 -4.150 1.00 0.11 H new ATOM 778 N ASP A 48 7.706 7.326 -3.809 1.00 0.12 N ATOM 779 CA ASP A 48 8.957 6.601 -3.820 1.00 0.14 C ATOM 780 C ASP A 48 9.887 7.146 -2.746 1.00 0.14 C ATOM 781 O ASP A 48 10.387 6.403 -1.903 1.00 0.21 O ATOM 782 CB ASP A 48 9.602 6.733 -5.194 1.00 0.17 C ATOM 783 CG ASP A 48 9.566 8.154 -5.717 1.00 1.06 C ATOM 784 OD1 ASP A 48 8.548 8.536 -6.332 1.00 1.73 O ATOM 785 OD2 ASP A 48 10.557 8.888 -5.514 1.00 1.65 O ATOM 0 H ASP A 48 7.396 7.642 -4.728 1.00 0.12 H new ATOM 0 HA ASP A 48 8.769 5.548 -3.610 1.00 0.14 H new ATOM 0 HB2 ASP A 48 10.637 6.395 -5.140 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.089 6.077 -5.897 1.00 0.17 H new ATOM 790 N GLU A 49 10.096 8.457 -2.780 1.00 0.14 N ATOM 791 CA GLU A 49 10.953 9.122 -1.803 1.00 0.16 C ATOM 792 C GLU A 49 10.546 8.753 -0.382 1.00 0.13 C ATOM 793 O GLU A 49 11.345 8.198 0.367 1.00 0.19 O ATOM 794 CB GLU A 49 10.893 10.641 -1.968 1.00 0.23 C ATOM 795 CG GLU A 49 11.713 11.400 -0.930 1.00 0.37 C ATOM 796 CD GLU A 49 11.571 12.904 -1.065 1.00 0.46 C ATOM 797 OE1 GLU A 49 10.637 13.469 -0.460 1.00 0.52 O ATOM 798 OE2 GLU A 49 12.396 13.516 -1.777 1.00 0.51 O ATOM 0 H GLU A 49 9.684 9.082 -3.473 1.00 0.14 H new ATOM 0 HA GLU A 49 11.974 8.784 -1.981 1.00 0.16 H new ATOM 0 HB2 GLU A 49 11.249 10.904 -2.964 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.854 10.964 -1.905 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.399 11.097 0.069 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.763 11.127 -1.031 1.00 0.37 H new ATOM 805 N THR A 50 9.296 9.056 -0.024 1.00 0.11 N ATOM 806 CA THR A 50 8.793 8.768 1.313 1.00 0.10 C ATOM 807 C THR A 50 9.126 7.344 1.723 1.00 0.09 C ATOM 808 O THR A 50 9.685 7.118 2.792 1.00 0.13 O ATOM 809 CB THR A 50 7.272 8.966 1.404 1.00 0.12 C ATOM 810 OG1 THR A 50 6.916 10.277 0.943 1.00 0.19 O ATOM 811 CG2 THR A 50 6.798 8.783 2.837 1.00 0.14 C ATOM 0 H THR A 50 8.618 9.500 -0.643 1.00 0.11 H new ATOM 0 HA THR A 50 9.282 9.470 1.989 1.00 0.10 H new ATOM 0 HB THR A 50 6.789 8.220 0.773 1.00 0.12 H new ATOM 0 HG1 THR A 50 5.945 10.392 1.003 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.719 8.927 2.884 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.046 7.777 3.176 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.290 9.514 3.479 1.00 0.14 H new ATOM 819 N LEU A 51 8.794 6.394 0.854 1.00 0.09 N ATOM 820 CA LEU A 51 9.056 4.983 1.112 1.00 0.11 C ATOM 821 C LEU A 51 10.507 4.779 1.526 1.00 0.11 C ATOM 822 O LEU A 51 10.801 3.976 2.409 1.00 0.14 O ATOM 823 CB LEU A 51 8.735 4.172 -0.140 1.00 0.12 C ATOM 824 CG LEU A 51 7.246 3.921 -0.373 1.00 0.16 C ATOM 825 CD1 LEU A 51 7.006 3.436 -1.791 1.00 0.89 C ATOM 826 CD2 LEU A 51 6.717 2.911 0.634 1.00 0.74 C ATOM 0 H LEU A 51 8.340 6.578 -0.041 1.00 0.09 H new ATOM 0 HA LEU A 51 8.421 4.642 1.930 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.142 4.692 -1.007 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.246 3.211 -0.075 1.00 0.12 H new ATOM 0 HG LEU A 51 6.709 4.860 -0.236 1.00 0.16 H new ATOM 0 HD11 LEU A 51 5.940 3.262 -1.941 1.00 0.89 H new ATOM 0 HD12 LEU A 51 7.353 4.190 -2.497 1.00 0.89 H new ATOM 0 HD13 LEU A 51 7.552 2.507 -1.955 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.655 2.742 0.456 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.257 1.971 0.525 1.00 0.74 H new ATOM 0 HD23 LEU A 51 6.859 3.296 1.644 1.00 0.74 H new ATOM 838 N GLU A 52 11.409 5.513 0.886 1.00 0.10 N ATOM 839 CA GLU A 52 12.825 5.432 1.214 1.00 0.13 C ATOM 840 C GLU A 52 13.047 6.001 2.603 1.00 0.13 C ATOM 841 O GLU A 52 13.841 5.487 3.391 1.00 0.16 O ATOM 842 CB GLU A 52 13.648 6.221 0.197 1.00 0.16 C ATOM 843 CG GLU A 52 15.063 5.697 0.016 1.00 0.33 C ATOM 844 CD GLU A 52 15.856 6.491 -1.002 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.205 7.653 -0.707 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.130 5.950 -2.094 1.00 0.52 O ATOM 0 H GLU A 52 11.185 6.170 0.138 1.00 0.10 H new ATOM 0 HA GLU A 52 13.142 4.389 1.187 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.137 6.200 -0.765 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.694 7.264 0.511 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.581 5.724 0.975 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.022 4.653 -0.295 1.00 0.33 H new ATOM 853 N LYS A 53 12.322 7.073 2.883 1.00 0.13 N ATOM 854 CA LYS A 53 12.392 7.743 4.174 1.00 0.16 C ATOM 855 C LYS A 53 11.927 6.804 5.287 1.00 0.18 C ATOM 856 O LYS A 53 12.358 6.922 6.434 1.00 0.25 O ATOM 857 CB LYS A 53 11.543 9.014 4.148 1.00 0.17 C ATOM 858 CG LYS A 53 11.749 9.832 2.884 1.00 0.42 C ATOM 859 CD LYS A 53 12.973 10.724 2.982 1.00 0.60 C ATOM 860 CE LYS A 53 12.701 11.918 3.871 1.00 1.54 C ATOM 861 NZ LYS A 53 13.952 12.493 4.435 1.00 2.19 N ATOM 0 H LYS A 53 11.671 7.502 2.225 1.00 0.13 H new ATOM 0 HA LYS A 53 13.427 8.020 4.374 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.490 8.744 4.234 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.787 9.627 5.016 1.00 0.17 H new ATOM 0 HG2 LYS A 53 11.855 9.162 2.031 1.00 0.42 H new ATOM 0 HG3 LYS A 53 10.867 10.445 2.700 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.813 10.154 3.379 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.261 11.064 1.987 1.00 0.60 H new ATOM 0 HE2 LYS A 53 12.177 12.683 3.299 1.00 1.54 H new ATOM 0 HE3 LYS A 53 12.040 11.620 4.685 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 13.719 13.308 5.037 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 14.440 11.772 5.003 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 14.573 12.802 3.660 1.00 2.19 H new ATOM 875 N LYS A 54 11.039 5.870 4.937 1.00 0.13 N ATOM 876 CA LYS A 54 10.533 4.892 5.896 1.00 0.16 C ATOM 877 C LYS A 54 11.569 3.795 6.084 1.00 0.17 C ATOM 878 O LYS A 54 12.109 3.599 7.173 1.00 0.21 O ATOM 879 CB LYS A 54 9.229 4.251 5.398 1.00 0.16 C ATOM 880 CG LYS A 54 8.420 5.114 4.437 1.00 0.25 C ATOM 881 CD LYS A 54 7.837 6.357 5.089 1.00 0.39 C ATOM 882 CE LYS A 54 6.808 6.017 6.151 1.00 0.30 C ATOM 883 NZ LYS A 54 7.432 5.703 7.467 1.00 1.20 N ATOM 0 H LYS A 54 10.657 5.773 3.996 1.00 0.13 H new ATOM 0 HA LYS A 54 10.337 5.407 6.837 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.469 3.309 4.905 1.00 0.16 H new ATOM 0 HB3 LYS A 54 8.607 4.010 6.260 1.00 0.16 H new ATOM 0 HG2 LYS A 54 9.057 5.414 3.605 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.609 4.517 4.019 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.641 6.941 5.538 1.00 0.39 H new ATOM 0 HD3 LYS A 54 7.376 6.983 4.326 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.121 6.855 6.269 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.216 5.164 5.820 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 7.430 4.674 7.616 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 8.412 6.052 7.479 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 6.891 6.164 8.226 1.00 1.20 H new ATOM 897 N GLY A 55 11.830 3.087 4.992 1.00 0.19 N ATOM 898 CA GLY A 55 12.791 2.005 4.994 1.00 0.23 C ATOM 899 C GLY A 55 12.922 1.368 3.622 1.00 0.25 C ATOM 900 O GLY A 55 13.904 0.685 3.336 1.00 0.38 O ATOM 0 H GLY A 55 11.383 3.249 4.090 1.00 0.19 H new ATOM 0 HA2 GLY A 55 13.762 2.382 5.315 1.00 0.23 H new ATOM 0 HA3 GLY A 55 12.487 1.250 5.719 1.00 0.23 H new ATOM 904 N VAL A 56 11.916 1.591 2.777 1.00 0.17 N ATOM 905 CA VAL A 56 11.911 1.063 1.418 1.00 0.21 C ATOM 906 C VAL A 56 12.975 1.769 0.585 1.00 0.40 C ATOM 907 O VAL A 56 12.702 2.771 -0.075 1.00 0.89 O ATOM 908 CB VAL A 56 10.531 1.251 0.758 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.350 0.295 -0.409 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.417 1.066 1.780 1.00 0.17 C ATOM 0 H VAL A 56 11.089 2.139 3.015 1.00 0.17 H new ATOM 0 HA VAL A 56 12.130 -0.004 1.466 1.00 0.21 H new ATOM 0 HB VAL A 56 10.479 2.269 0.372 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.368 0.449 -0.856 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.122 0.482 -1.155 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.430 -0.732 -0.054 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.451 1.203 1.294 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.472 0.062 2.201 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.529 1.801 2.577 1.00 0.17 H new ATOM 920 N LEU A 57 14.181 1.220 0.606 1.00 0.21 N ATOM 921 CA LEU A 57 15.317 1.809 -0.097 1.00 0.26 C ATOM 922 C LEU A 57 15.409 1.340 -1.545 1.00 0.36 C ATOM 923 O LEU A 57 15.898 2.068 -2.410 1.00 0.83 O ATOM 924 CB LEU A 57 16.609 1.460 0.648 1.00 0.34 C ATOM 925 CG LEU A 57 16.945 2.325 1.877 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.723 3.074 2.393 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.527 1.459 2.984 1.00 0.55 C ATOM 0 H LEU A 57 14.401 0.359 1.107 1.00 0.21 H new ATOM 0 HA LEU A 57 15.172 2.889 -0.118 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.548 0.420 0.968 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.439 1.529 -0.056 1.00 0.34 H new ATOM 0 HG LEU A 57 17.683 3.065 1.566 1.00 0.37 H new ATOM 0 HD11 LEU A 57 16.002 3.672 3.260 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.339 3.728 1.610 1.00 0.24 H new ATOM 0 HD13 LEU A 57 14.952 2.359 2.679 1.00 0.24 H new ATOM 0 HD21 LEU A 57 17.761 2.081 3.848 1.00 0.55 H new ATOM 0 HD22 LEU A 57 16.801 0.698 3.271 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.437 0.976 2.628 1.00 0.55 H new ATOM 939 N ALA A 58 14.944 0.128 -1.805 1.00 0.21 N ATOM 940 CA ALA A 58 14.987 -0.432 -3.148 1.00 0.17 C ATOM 941 C ALA A 58 14.211 0.410 -4.139 1.00 0.13 C ATOM 942 O ALA A 58 12.986 0.486 -4.073 1.00 0.12 O ATOM 943 CB ALA A 58 14.433 -1.842 -3.146 1.00 0.18 C ATOM 0 H ALA A 58 14.532 -0.488 -1.104 1.00 0.21 H new ATOM 0 HA ALA A 58 16.032 -0.443 -3.458 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.471 -2.249 -4.156 1.00 0.18 H new ATOM 0 HB2 ALA A 58 15.029 -2.466 -2.481 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.400 -1.826 -2.800 1.00 0.18 H new ATOM 949 N LEU A 59 14.932 1.049 -5.055 1.00 0.14 N ATOM 950 CA LEU A 59 14.296 1.845 -6.086 1.00 0.13 C ATOM 951 C LEU A 59 13.249 0.990 -6.775 1.00 0.12 C ATOM 952 O LEU A 59 12.259 1.490 -7.302 1.00 0.14 O ATOM 953 CB LEU A 59 15.332 2.335 -7.102 1.00 0.15 C ATOM 954 CG LEU A 59 15.884 3.735 -6.845 1.00 0.19 C ATOM 955 CD1 LEU A 59 14.771 4.757 -6.965 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.534 3.815 -5.473 1.00 0.27 C ATOM 0 H LEU A 59 15.951 1.029 -5.100 1.00 0.14 H new ATOM 0 HA LEU A 59 13.827 2.720 -5.637 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.164 1.631 -7.117 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.881 2.316 -8.094 1.00 0.15 H new ATOM 0 HG LEU A 59 16.647 3.952 -7.593 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.171 5.754 -6.781 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.346 4.716 -7.968 1.00 0.24 H new ATOM 0 HD13 LEU A 59 13.994 4.537 -6.233 1.00 0.24 H new ATOM 0 HD21 LEU A 59 16.920 4.821 -5.312 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.795 3.583 -4.706 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.353 3.098 -5.416 1.00 0.27 H new ATOM 968 N GLY A 60 13.499 -0.314 -6.762 1.00 0.12 N ATOM 969 CA GLY A 60 12.588 -1.255 -7.363 1.00 0.12 C ATOM 970 C GLY A 60 11.351 -1.496 -6.520 1.00 0.11 C ATOM 971 O GLY A 60 10.245 -1.535 -7.041 1.00 0.14 O ATOM 0 H GLY A 60 14.327 -0.734 -6.340 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.287 -0.887 -8.344 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.104 -2.202 -7.522 1.00 0.12 H new ATOM 975 N ALA A 61 11.541 -1.652 -5.211 1.00 0.10 N ATOM 976 CA ALA A 61 10.436 -1.921 -4.296 1.00 0.10 C ATOM 977 C ALA A 61 9.552 -0.699 -4.048 1.00 0.11 C ATOM 978 O ALA A 61 8.327 -0.795 -4.128 1.00 0.16 O ATOM 979 CB ALA A 61 10.977 -2.455 -2.981 1.00 0.13 C ATOM 0 H ALA A 61 12.454 -1.596 -4.760 1.00 0.10 H new ATOM 0 HA ALA A 61 9.802 -2.670 -4.771 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.149 -2.654 -2.301 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.528 -3.378 -3.162 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.643 -1.716 -2.535 1.00 0.13 H new ATOM 985 N ARG A 62 10.161 0.446 -3.750 1.00 0.14 N ATOM 986 CA ARG A 62 9.394 1.653 -3.468 1.00 0.16 C ATOM 987 C ARG A 62 8.679 2.179 -4.696 1.00 0.11 C ATOM 988 O ARG A 62 7.455 2.320 -4.694 1.00 0.11 O ATOM 989 CB ARG A 62 10.282 2.737 -2.853 1.00 0.23 C ATOM 990 CG ARG A 62 11.392 3.260 -3.750 1.00 0.32 C ATOM 991 CD ARG A 62 12.331 4.164 -2.963 1.00 0.23 C ATOM 992 NE ARG A 62 13.346 4.795 -3.802 1.00 0.21 N ATOM 993 CZ ARG A 62 13.684 6.081 -3.705 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.047 6.874 -2.855 1.00 0.81 N ATOM 995 NH2 ARG A 62 14.656 6.577 -4.458 1.00 0.48 N ATOM 0 H ARG A 62 11.173 0.562 -3.698 1.00 0.14 H new ATOM 0 HA ARG A 62 8.629 1.379 -2.742 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.651 3.576 -2.559 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.731 2.341 -1.942 1.00 0.23 H new ATOM 0 HG2 ARG A 62 11.951 2.425 -4.172 1.00 0.32 H new ATOM 0 HG3 ARG A 62 10.963 3.811 -4.586 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.748 4.937 -2.462 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.822 3.580 -2.184 1.00 0.23 H new ATOM 0 HE ARG A 62 13.821 4.222 -4.499 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.297 6.501 -2.274 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.307 7.858 -2.782 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.150 5.974 -5.116 1.00 0.48 H new ATOM 0 HH22 ARG A 62 14.910 7.562 -4.379 1.00 0.48 H new ATOM 1009 N ARG A 63 9.434 2.483 -5.738 1.00 0.12 N ATOM 1010 CA ARG A 63 8.842 2.982 -6.968 1.00 0.13 C ATOM 1011 C ARG A 63 7.721 2.049 -7.415 1.00 0.12 C ATOM 1012 O ARG A 63 6.816 2.450 -8.147 1.00 0.14 O ATOM 1013 CB ARG A 63 9.892 3.112 -8.071 1.00 0.16 C ATOM 1014 CG ARG A 63 10.930 4.187 -7.802 1.00 0.79 C ATOM 1015 CD ARG A 63 11.868 4.363 -8.986 1.00 0.75 C ATOM 1016 NE ARG A 63 11.147 4.720 -10.206 1.00 1.33 N ATOM 1017 CZ ARG A 63 11.693 5.393 -11.217 1.00 1.56 C ATOM 1018 NH1 ARG A 63 12.954 5.796 -11.146 1.00 1.33 N ATOM 1019 NH2 ARG A 63 10.974 5.666 -12.297 1.00 2.47 N ATOM 0 H ARG A 63 10.450 2.394 -5.758 1.00 0.12 H new ATOM 0 HA ARG A 63 8.432 3.974 -6.776 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.397 2.154 -8.194 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.391 3.331 -9.014 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.430 5.132 -7.589 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.507 3.924 -6.915 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.600 5.138 -8.757 1.00 0.75 H new ATOM 0 HD3 ARG A 63 12.423 3.439 -9.150 1.00 0.75 H new ATOM 0 HE ARG A 63 10.170 4.438 -10.288 1.00 1.33 H new ATOM 0 HH11 ARG A 63 13.509 5.591 -10.315 1.00 1.33 H new ATOM 0 HH12 ARG A 63 13.369 6.311 -11.922 1.00 1.33 H new ATOM 0 HH21 ARG A 63 10.002 5.361 -12.354 1.00 2.47 H new ATOM 0 HH22 ARG A 63 11.392 6.182 -13.071 1.00 2.47 H new ATOM 1033 N LYS A 64 7.794 0.793 -6.964 1.00 0.10 N ATOM 1034 CA LYS A 64 6.782 -0.201 -7.293 1.00 0.13 C ATOM 1035 C LYS A 64 5.548 -0.018 -6.426 1.00 0.11 C ATOM 1036 O LYS A 64 4.421 -0.144 -6.901 1.00 0.12 O ATOM 1037 CB LYS A 64 7.336 -1.608 -7.089 1.00 0.18 C ATOM 1038 CG LYS A 64 7.871 -2.253 -8.361 1.00 0.76 C ATOM 1039 CD LYS A 64 6.787 -2.408 -9.415 1.00 1.33 C ATOM 1040 CE LYS A 64 7.288 -3.186 -10.620 1.00 1.80 C ATOM 1041 NZ LYS A 64 6.253 -3.287 -11.686 1.00 2.52 N ATOM 0 H LYS A 64 8.547 0.446 -6.370 1.00 0.10 H new ATOM 0 HA LYS A 64 6.506 -0.067 -8.339 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.136 -1.569 -6.349 1.00 0.18 H new ATOM 0 HB3 LYS A 64 6.550 -2.240 -6.676 1.00 0.18 H new ATOM 0 HG2 LYS A 64 8.683 -1.647 -8.762 1.00 0.76 H new ATOM 0 HG3 LYS A 64 8.290 -3.231 -8.124 1.00 0.76 H new ATOM 0 HD2 LYS A 64 5.928 -2.920 -8.982 1.00 1.33 H new ATOM 0 HD3 LYS A 64 6.444 -1.423 -9.733 1.00 1.33 H new ATOM 0 HE2 LYS A 64 8.177 -2.700 -11.022 1.00 1.80 H new ATOM 0 HE3 LYS A 64 7.586 -4.187 -10.308 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 6.634 -3.825 -12.490 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 5.414 -3.774 -11.310 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 5.987 -2.333 -12.003 1.00 2.52 H new ATOM 1055 N LEU A 65 5.768 0.261 -5.146 1.00 0.11 N ATOM 1056 CA LEU A 65 4.672 0.467 -4.213 1.00 0.11 C ATOM 1057 C LEU A 65 3.755 1.579 -4.702 1.00 0.08 C ATOM 1058 O LEU A 65 2.562 1.591 -4.400 1.00 0.09 O ATOM 1059 CB LEU A 65 5.209 0.797 -2.826 1.00 0.13 C ATOM 1060 CG LEU A 65 5.367 -0.409 -1.905 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.699 -0.355 -1.181 1.00 0.22 C ATOM 1062 CD2 LEU A 65 4.215 -0.474 -0.915 1.00 0.23 C ATOM 0 H LEU A 65 6.696 0.349 -4.733 1.00 0.11 H new ATOM 0 HA LEU A 65 4.095 -0.456 -4.153 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.177 1.286 -2.932 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.539 1.515 -2.352 1.00 0.13 H new ATOM 0 HG LEU A 65 5.348 -1.314 -2.512 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.794 -1.223 -0.529 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.510 -0.358 -1.910 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.752 0.555 -0.584 1.00 0.22 H new ATOM 0 HD21 LEU A 65 4.342 -1.340 -0.265 1.00 0.23 H new ATOM 0 HD22 LEU A 65 4.202 0.434 -0.312 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.274 -0.563 -1.457 1.00 0.23 H new ATOM 1074 N LEU A 66 4.324 2.513 -5.460 1.00 0.08 N ATOM 1075 CA LEU A 66 3.556 3.624 -6.006 1.00 0.09 C ATOM 1076 C LEU A 66 2.433 3.099 -6.887 1.00 0.11 C ATOM 1077 O LEU A 66 1.423 3.772 -7.097 1.00 0.14 O ATOM 1078 CB LEU A 66 4.464 4.563 -6.797 1.00 0.11 C ATOM 1079 CG LEU A 66 5.185 5.613 -5.952 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.590 5.849 -6.475 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.396 6.914 -5.933 1.00 0.14 C ATOM 0 H LEU A 66 5.313 2.521 -5.709 1.00 0.08 H new ATOM 0 HA LEU A 66 3.118 4.187 -5.181 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.208 3.967 -7.326 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.867 5.072 -7.554 1.00 0.11 H new ATOM 0 HG LEU A 66 5.259 5.240 -4.931 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.086 6.600 -5.860 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.154 4.917 -6.436 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.540 6.200 -7.506 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.923 7.651 -5.327 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.290 7.290 -6.951 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.409 6.734 -5.508 1.00 0.14 H new ATOM 1093 N LYS A 67 2.623 1.890 -7.400 1.00 0.12 N ATOM 1094 CA LYS A 67 1.625 1.245 -8.237 1.00 0.16 C ATOM 1095 C LYS A 67 0.505 0.738 -7.341 1.00 0.14 C ATOM 1096 O LYS A 67 -0.676 0.837 -7.668 1.00 0.16 O ATOM 1097 CB LYS A 67 2.260 0.082 -9.013 1.00 0.22 C ATOM 1098 CG LYS A 67 1.495 -0.384 -10.248 1.00 0.84 C ATOM 1099 CD LYS A 67 0.933 0.761 -11.061 1.00 1.26 C ATOM 1100 CE LYS A 67 -0.489 1.009 -10.639 1.00 1.56 C ATOM 1101 NZ LYS A 67 -0.790 2.460 -10.483 1.00 2.20 N ATOM 0 H LYS A 67 3.465 1.335 -7.248 1.00 0.12 H new ATOM 0 HA LYS A 67 1.225 1.955 -8.961 1.00 0.16 H new ATOM 0 HB2 LYS A 67 3.263 0.379 -9.320 1.00 0.22 H new ATOM 0 HB3 LYS A 67 2.371 -0.765 -8.336 1.00 0.22 H new ATOM 0 HG2 LYS A 67 2.158 -0.978 -10.877 1.00 0.84 H new ATOM 0 HG3 LYS A 67 0.679 -1.037 -9.938 1.00 0.84 H new ATOM 0 HD2 LYS A 67 1.532 1.659 -10.911 1.00 1.26 H new ATOM 0 HD3 LYS A 67 0.974 0.524 -12.124 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -1.165 0.578 -11.378 1.00 1.56 H new ATOM 0 HE3 LYS A 67 -0.680 0.498 -9.695 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 -0.736 2.720 -9.477 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 -0.098 3.018 -11.022 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 -1.747 2.656 -10.840 1.00 2.20 H new ATOM 1115 N ALA A 68 0.902 0.212 -6.187 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.044 -0.303 -5.212 1.00 0.14 C ATOM 1117 C ALA A 68 -0.790 0.844 -4.543 1.00 0.13 C ATOM 1118 O ALA A 68 -1.884 0.665 -4.018 1.00 0.23 O ATOM 1119 CB ALA A 68 0.681 -1.143 -4.170 1.00 0.17 C ATOM 0 H ALA A 68 1.879 0.132 -5.906 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.768 -0.934 -5.726 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.038 -1.523 -3.445 1.00 0.17 H new ATOM 0 HB2 ALA A 68 1.180 -1.979 -4.660 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.422 -0.528 -3.658 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.182 2.025 -4.571 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.771 3.212 -3.968 1.00 0.11 C ATOM 1127 C PHE A 69 -1.977 3.708 -4.765 1.00 0.10 C ATOM 1128 O PHE A 69 -2.994 4.098 -4.192 1.00 0.12 O ATOM 1129 CB PHE A 69 0.274 4.330 -3.895 1.00 0.11 C ATOM 1130 CG PHE A 69 1.381 4.114 -2.891 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.353 3.058 -1.989 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.458 4.987 -2.853 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.373 2.883 -1.074 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.480 4.814 -1.939 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.437 3.762 -1.048 1.00 0.12 C ATOM 0 H PHE A 69 0.725 2.185 -5.009 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.107 2.943 -2.967 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.720 4.453 -4.882 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.234 5.264 -3.656 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.524 2.366 -2.003 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.499 5.813 -3.547 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.338 2.058 -0.378 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.312 5.502 -1.922 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.234 3.626 -0.332 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.855 3.690 -6.090 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.927 4.173 -6.945 1.00 0.13 C ATOM 1147 C GLY A 70 -4.117 3.239 -7.027 1.00 0.13 C ATOM 1148 O GLY A 70 -5.261 3.682 -6.926 1.00 0.13 O ATOM 0 H GLY A 70 -1.032 3.349 -6.587 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.263 5.142 -6.576 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.533 4.333 -7.949 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.858 1.952 -7.218 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.930 0.970 -7.322 1.00 0.15 C ATOM 1154 C ILE A 71 -5.855 1.047 -6.112 1.00 0.13 C ATOM 1155 O ILE A 71 -7.066 0.868 -6.232 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.364 -0.457 -7.453 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.331 -0.507 -8.578 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.481 -1.457 -7.718 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.310 -1.606 -8.410 1.00 0.25 C ATOM 0 H ILE A 71 -2.918 1.564 -7.304 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.502 1.203 -8.220 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.880 -0.726 -6.514 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -3.847 -0.644 -9.528 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.816 0.452 -8.630 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.059 -2.458 -7.807 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.192 -1.435 -6.893 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -5.992 -1.195 -8.644 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.609 -1.582 -9.244 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.768 -1.459 -7.476 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.815 -2.572 -8.388 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.278 1.323 -4.947 1.00 0.11 N ATOM 1172 CA VAL A 72 -6.059 1.434 -3.718 1.00 0.11 C ATOM 1173 C VAL A 72 -6.901 2.702 -3.736 1.00 0.12 C ATOM 1174 O VAL A 72 -8.077 2.689 -3.376 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.156 1.457 -2.471 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.990 1.560 -1.198 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.254 0.232 -2.436 1.00 0.12 C ATOM 0 H VAL A 72 -4.276 1.474 -4.827 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.704 0.557 -3.669 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.521 2.341 -2.527 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.330 1.575 -0.331 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.578 2.477 -1.222 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.659 0.702 -1.131 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.625 0.269 -1.547 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.866 -0.670 -2.410 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.624 0.218 -3.326 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.275 3.795 -4.157 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.929 5.094 -4.226 1.00 0.16 C ATOM 1189 C ILE A 73 -8.184 5.055 -5.096 1.00 0.19 C ATOM 1190 O ILE A 73 -9.255 5.471 -4.668 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.958 6.160 -4.778 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.963 6.580 -3.696 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.725 7.365 -5.297 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.812 7.413 -4.214 1.00 0.16 C ATOM 0 H ILE A 73 -5.301 3.805 -4.460 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.225 5.356 -3.210 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.403 5.726 -5.610 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.492 7.146 -2.929 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.565 5.686 -3.215 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -6.023 8.105 -5.682 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.397 7.052 -6.096 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.306 7.803 -4.486 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -3.150 7.672 -3.388 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.257 6.843 -4.959 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -4.199 8.325 -4.669 1.00 0.16 H new ATOM 1206 N ASP A 74 -8.033 4.586 -6.325 1.00 0.18 N ATOM 1207 CA ASP A 74 -9.157 4.494 -7.256 1.00 0.21 C ATOM 1208 C ASP A 74 -10.296 3.667 -6.663 1.00 0.19 C ATOM 1209 O ASP A 74 -11.424 4.145 -6.564 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.699 3.876 -8.579 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.658 4.168 -9.716 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -10.619 3.391 -9.896 1.00 0.55 O ATOM 1213 OD2 ASP A 74 -9.449 5.174 -10.426 1.00 0.61 O ATOM 0 H ASP A 74 -7.144 4.262 -6.705 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.525 5.503 -7.439 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.711 4.260 -8.833 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.601 2.797 -8.458 1.00 0.26 H new ATOM 1218 N TYR A 75 -10.004 2.423 -6.280 1.00 0.20 N ATOM 1219 CA TYR A 75 -11.016 1.557 -5.692 1.00 0.25 C ATOM 1220 C TYR A 75 -11.614 2.217 -4.460 1.00 0.27 C ATOM 1221 O TYR A 75 -12.787 2.024 -4.146 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.420 0.184 -5.394 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.201 -0.619 -6.661 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.213 -0.729 -7.604 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -8.995 -1.252 -6.922 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -11.034 -1.447 -8.768 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -8.807 -1.974 -8.085 1.00 1.41 C ATOM 1228 CZ TYR A 75 -9.828 -2.068 -9.005 1.00 0.99 C ATOM 1229 OH TYR A 75 -9.645 -2.785 -10.165 1.00 1.24 O ATOM 0 H TYR A 75 -9.081 1.999 -6.367 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.831 1.405 -6.400 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.471 0.305 -4.871 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -11.085 -0.364 -4.726 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -12.160 -0.243 -7.423 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -8.190 -1.180 -6.205 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.835 -1.522 -9.489 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -7.862 -2.463 -8.272 1.00 1.41 H new ATOM 0 HH TYR A 75 -8.739 -3.159 -10.179 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.797 2.999 -3.768 1.00 0.24 N ATOM 1240 CA LYS A 76 -11.253 3.746 -2.615 1.00 0.30 C ATOM 1241 C LYS A 76 -12.298 4.748 -3.087 1.00 0.37 C ATOM 1242 O LYS A 76 -13.372 4.895 -2.505 1.00 0.51 O ATOM 1243 CB LYS A 76 -10.060 4.486 -1.992 1.00 0.29 C ATOM 1244 CG LYS A 76 -10.423 5.830 -1.392 1.00 0.40 C ATOM 1245 CD LYS A 76 -9.213 6.745 -1.267 1.00 0.43 C ATOM 1246 CE LYS A 76 -8.540 6.612 0.087 1.00 0.75 C ATOM 1247 NZ LYS A 76 -9.534 6.600 1.196 1.00 1.66 N ATOM 0 H LYS A 76 -9.810 3.130 -3.991 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.685 3.081 -1.868 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.619 3.859 -1.217 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.296 4.633 -2.755 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -11.179 6.312 -2.012 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -10.867 5.680 -0.408 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -8.496 6.508 -2.053 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.523 7.779 -1.418 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.954 5.694 0.114 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.844 7.439 0.231 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -9.471 7.491 1.728 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -10.491 6.498 0.803 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -9.335 5.802 1.832 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.936 5.424 -4.168 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.758 6.434 -4.806 1.00 0.36 C ATOM 1263 C GLU A 77 -14.018 5.840 -5.436 1.00 0.34 C ATOM 1264 O GLU A 77 -15.020 6.536 -5.604 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.902 7.124 -5.866 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.872 8.068 -5.276 1.00 0.49 C ATOM 1267 CD GLU A 77 -11.388 9.487 -5.143 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -11.369 10.223 -6.152 1.00 1.16 O ATOM 1269 OE2 GLU A 77 -11.813 9.862 -4.031 1.00 1.09 O ATOM 0 H GLU A 77 -11.040 5.279 -4.634 1.00 0.31 H new ATOM 0 HA GLU A 77 -13.099 7.147 -4.056 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -11.393 6.367 -6.463 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.551 7.680 -6.543 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -10.570 7.702 -4.295 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.982 8.067 -5.905 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.965 4.557 -5.784 1.00 0.31 N ATOM 1277 CA ARG A 78 -15.107 3.889 -6.399 1.00 0.33 C ATOM 1278 C ARG A 78 -16.007 3.260 -5.344 1.00 0.36 C ATOM 1279 O ARG A 78 -16.846 2.415 -5.657 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.632 2.813 -7.372 1.00 0.34 C ATOM 1281 CG ARG A 78 -14.082 3.364 -8.676 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.707 2.247 -9.635 1.00 0.42 C ATOM 1283 NE ARG A 78 -14.834 1.357 -9.908 1.00 1.15 N ATOM 1284 CZ ARG A 78 -14.921 0.584 -10.986 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -13.953 0.593 -11.893 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -15.976 -0.199 -11.158 1.00 2.37 N ATOM 0 H ARG A 78 -13.147 3.962 -5.651 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.680 4.641 -6.942 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.861 2.214 -6.888 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.464 2.144 -7.593 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.825 4.011 -9.142 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -13.206 3.980 -8.472 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -13.350 2.677 -10.571 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -12.883 1.670 -9.215 1.00 0.42 H new ATOM 0 HE ARG A 78 -15.598 1.327 -9.232 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -13.139 1.194 -11.764 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -14.023 -0.001 -12.719 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -16.722 -0.209 -10.463 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -16.042 -0.792 -11.986 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.825 3.678 -4.097 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.615 3.149 -2.992 1.00 0.43 C ATOM 1302 C ASP A 79 -16.462 1.633 -2.916 1.00 0.40 C ATOM 1303 O ASP A 79 -17.329 0.931 -2.396 1.00 0.47 O ATOM 1304 CB ASP A 79 -18.090 3.529 -3.160 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.922 3.191 -1.938 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -18.817 3.918 -0.928 1.00 2.13 O ATOM 1307 OD2 ASP A 79 -19.679 2.199 -1.991 1.00 2.00 O ATOM 0 H ASP A 79 -15.138 4.381 -3.826 1.00 0.38 H new ATOM 0 HA ASP A 79 -16.251 3.585 -2.062 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -18.165 4.597 -3.362 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.498 3.011 -4.028 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.345 1.136 -3.442 1.00 0.32 N ATOM 1313 CA LEU A 80 -15.068 -0.292 -3.444 1.00 0.32 C ATOM 1314 C LEU A 80 -14.407 -0.714 -2.136 1.00 0.31 C ATOM 1315 O LEU A 80 -14.482 -1.876 -1.737 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.189 -0.662 -4.642 1.00 0.29 C ATOM 1317 CG LEU A 80 -14.900 -1.484 -5.714 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.522 -0.568 -6.752 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -13.933 -2.446 -6.372 1.00 0.39 C ATOM 0 H LEU A 80 -14.617 1.706 -3.873 1.00 0.32 H new ATOM 0 HA LEU A 80 -16.013 -0.828 -3.533 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.809 0.254 -5.095 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.325 -1.223 -4.284 1.00 0.29 H new ATOM 0 HG LEU A 80 -15.692 -2.062 -5.239 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -16.026 -1.167 -7.511 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.245 0.090 -6.270 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.742 0.032 -7.222 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.456 -3.024 -7.134 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -13.121 -1.886 -6.836 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -13.524 -3.122 -5.621 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.760 0.241 -1.474 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.104 -0.018 -0.198 1.00 0.14 C ATOM 1333 C ILE A 81 -14.014 0.389 0.950 1.00 0.13 C ATOM 1334 O ILE A 81 -14.594 1.475 0.939 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.772 0.747 -0.075 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.802 0.296 -1.170 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.163 0.534 1.310 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.462 1.000 -1.129 1.00 0.17 C ATOM 0 H ILE A 81 -13.676 1.203 -1.802 1.00 0.18 H new ATOM 0 HA ILE A 81 -12.895 -1.087 -0.152 1.00 0.14 H new ATOM 0 HB ILE A 81 -11.964 1.812 -0.202 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.640 -0.778 -1.079 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.262 0.468 -2.143 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.223 1.080 1.382 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.853 0.898 2.071 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -10.978 -0.529 1.467 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.830 0.627 -1.935 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.611 2.073 -1.251 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -8.979 0.808 -0.171 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.139 -0.486 1.939 1.00 0.13 N ATOM 1351 CA ASP A 82 -14.980 -0.211 3.091 1.00 0.13 C ATOM 1352 C ASP A 82 -14.538 1.072 3.774 1.00 0.13 C ATOM 1353 O ASP A 82 -13.355 1.255 4.063 1.00 0.13 O ATOM 1354 CB ASP A 82 -14.915 -1.368 4.084 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.139 -1.438 4.978 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -17.234 -1.058 4.516 1.00 0.47 O ATOM 1357 OD2 ASP A 82 -15.999 -1.868 6.142 1.00 0.41 O ATOM 0 H ASP A 82 -13.668 -1.391 1.965 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.007 -0.095 2.745 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.814 -2.306 3.538 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.024 -1.262 4.702 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.491 1.960 4.027 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.190 3.222 4.683 1.00 0.16 C ATOM 1364 C ARG A 83 -14.594 2.969 6.061 1.00 0.18 C ATOM 1365 O ARG A 83 -14.057 3.877 6.696 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.444 4.086 4.789 1.00 0.19 C ATOM 1367 CG ARG A 83 -17.204 4.204 3.478 1.00 0.33 C ATOM 1368 CD ARG A 83 -16.338 4.776 2.364 1.00 0.63 C ATOM 1369 NE ARG A 83 -15.708 6.039 2.741 1.00 0.52 N ATOM 1370 CZ ARG A 83 -16.369 7.186 2.862 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.679 7.228 2.655 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -15.720 8.294 3.191 1.00 1.48 N ATOM 0 H ARG A 83 -16.474 1.829 3.788 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.458 3.760 4.081 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.104 3.665 5.547 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.163 5.083 5.129 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -17.571 3.221 3.183 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -18.077 4.841 3.621 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -15.566 4.053 2.100 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -16.949 4.929 1.475 1.00 0.63 H new ATOM 0 HE ARG A 83 -14.704 6.041 2.922 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -18.183 6.378 2.402 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.182 8.110 2.749 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -14.713 8.267 3.351 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -16.228 9.174 3.284 1.00 1.48 H new ATOM 1386 N SER A 84 -14.705 1.725 6.522 1.00 0.17 N ATOM 1387 CA SER A 84 -14.166 1.336 7.818 1.00 0.20 C ATOM 1388 C SER A 84 -12.646 1.434 7.805 1.00 0.19 C ATOM 1389 O SER A 84 -12.027 1.765 8.816 1.00 0.23 O ATOM 1390 CB SER A 84 -14.597 -0.088 8.172 1.00 0.22 C ATOM 1391 OG SER A 84 -16.007 -0.184 8.273 1.00 1.09 O ATOM 0 H SER A 84 -15.165 0.969 6.014 1.00 0.17 H new ATOM 0 HA SER A 84 -14.558 2.016 8.574 1.00 0.20 H new ATOM 0 HB2 SER A 84 -14.236 -0.780 7.411 1.00 0.22 H new ATOM 0 HB3 SER A 84 -14.141 -0.385 9.116 1.00 0.22 H new ATOM 0 HG SER A 84 -16.344 -0.791 7.582 1.00 1.09 H new ATOM 1397 N ALA A 85 -12.048 1.145 6.650 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.600 1.219 6.506 1.00 0.16 C ATOM 1399 C ALA A 85 -10.139 2.657 6.653 1.00 0.19 C ATOM 1400 O ALA A 85 -9.161 2.942 7.343 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.165 0.661 5.157 1.00 0.14 C ATOM 0 H ALA A 85 -12.544 0.859 5.806 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.141 0.616 7.290 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.080 0.725 5.069 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.474 -0.381 5.078 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.629 1.239 4.358 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.867 3.553 5.995 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.566 4.986 6.027 1.00 0.25 C ATOM 1409 C TYR A 86 -10.112 5.429 7.415 1.00 0.31 C ATOM 1410 O TYR A 86 -10.985 5.643 8.283 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.794 5.803 5.609 1.00 0.28 C ATOM 1412 CG TYR A 86 -12.110 5.747 4.130 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.107 4.543 3.444 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -12.422 6.903 3.424 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.405 4.486 2.097 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.721 6.856 2.076 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.712 5.644 1.418 1.00 0.34 C ATOM 1418 OH TYR A 86 -13.015 5.592 0.078 1.00 0.40 O ATOM 1419 OXT TYR A 86 -8.887 5.560 7.622 1.00 1.02 O ATOM 0 H TYR A 86 -11.679 3.312 5.426 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.754 5.164 5.322 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.660 5.446 6.167 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.638 6.843 5.895 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -11.867 3.632 3.973 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -12.431 7.853 3.937 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.397 3.538 1.579 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -12.960 7.763 1.541 1.00 0.44 H new ATOM 0 HH TYR A 86 -12.811 4.699 -0.269 1.00 0.40 H new