USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 705 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 61 GLN : amide:sc= -0.468 K(o=-0.36,f=-1.9) USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0.113 K(o=-0.36,f=-6.7!) USER MOD Set 2.1: A 44 THR OG1 : rot -92:sc= 0.5 USER MOD Set 2.2: B 149 LYS NZ :NH3+ 157:sc= 0.602 (180deg=-0.0515) USER MOD Set 3.1: A 2 GLN : amide:sc= 0.499 K(o=0.88,f=-0.26) USER MOD Set 3.2: A 34 GLN : amide:sc= 0.38 K(o=0.88,f=-0.26) USER MOD Single : A 1 MET CE :methyl 171:sc= -0.337 (180deg=-0.435) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.526 (180deg=-0.198) USER MOD Single : A 3 THR OG1 : rot 155:sc= 1.36 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 176:sc= 1.19 USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= 1.11 (180deg=1.07) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 67:sc= 1.07 USER MOD Single : A 26 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 32 GLN : amide:sc= 0.207 X(o=0.21,f=0) USER MOD Single : A 33 TYR OH : rot 156:sc= 1.24 USER MOD Single : A 35 TYR OH : rot -158:sc= 0.935 USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= 1.62 (180deg=1.57) USER MOD Single : A 49 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.37) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 51 LYS NZ :NH3+ -146:sc= 1.84 (180deg=1.33) USER MOD Single : A 54 LYS NZ :NH3+ -115:sc= 0.779 (180deg=-0.313) USER MOD Single : A 58 THR OG1 : rot 134:sc= 1.26 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.807 F(o=-1.5,f=-0.81) USER MOD Single : A 72 TYR OH : rot 90:sc= -0.0074 USER MOD Single : A 73 THR OG1 : rot -140:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -111:sc= 1.06 (180deg=-0.166) USER MOD Single : A 82 ASN : amide:sc= 0.697 K(o=0.7,f=0) USER MOD Single : B 145 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.410 -15.347 -2.516 1.00 1.00 N ATOM 2 CA MET A 1 13.442 -14.616 -1.665 1.00 1.00 C ATOM 3 C MET A 1 14.181 -13.540 -0.851 1.00 1.00 C ATOM 4 O MET A 1 14.409 -13.683 0.352 1.00 1.00 O ATOM 5 CB MET A 1 12.574 -15.585 -0.838 1.00 1.00 C ATOM 6 CG MET A 1 11.668 -16.492 -1.697 1.00 1.00 C ATOM 7 SD MET A 1 9.904 -16.087 -1.686 1.00 1.00 S ATOM 8 CE MET A 1 9.962 -14.542 -2.624 1.00 1.00 C ATOM 0 H1 MET A 1 14.144 -16.351 -2.561 1.00 1.00 H new ATOM 0 H2 MET A 1 14.403 -14.944 -3.475 1.00 1.00 H new ATOM 0 H3 MET A 1 15.364 -15.259 -2.111 1.00 1.00 H new ATOM 0 HA MET A 1 12.722 -14.083 -2.285 1.00 1.00 H new ATOM 0 HB2 MET A 1 13.225 -16.210 -0.227 1.00 1.00 H new ATOM 0 HB3 MET A 1 11.952 -15.008 -0.154 1.00 1.00 H new ATOM 0 HG2 MET A 1 12.023 -16.456 -2.727 1.00 1.00 H new ATOM 0 HG3 MET A 1 11.787 -17.520 -1.355 1.00 1.00 H new ATOM 0 HE1 MET A 1 8.947 -14.221 -2.860 1.00 1.00 H new ATOM 0 HE2 MET A 1 10.457 -13.774 -2.030 1.00 1.00 H new ATOM 0 HE3 MET A 1 10.517 -14.699 -3.549 1.00 1.00 H new ATOM 20 N GLN A 2 14.591 -12.468 -1.546 1.00 1.00 N ATOM 21 CA GLN A 2 15.443 -11.342 -1.076 1.00 1.00 C ATOM 22 C GLN A 2 14.641 -10.033 -1.029 1.00 1.00 C ATOM 23 O GLN A 2 14.095 -9.606 -2.041 1.00 1.00 O ATOM 24 CB GLN A 2 16.690 -11.137 -1.963 1.00 1.00 C ATOM 25 CG GLN A 2 17.965 -10.622 -1.249 1.00 1.00 C ATOM 26 CD GLN A 2 18.219 -9.105 -1.300 1.00 1.00 C ATOM 27 OE1 GLN A 2 18.012 -8.418 -2.289 1.00 1.00 O ATOM 28 NE2 GLN A 2 18.755 -8.507 -0.263 1.00 1.00 N ATOM 0 H GLN A 2 14.322 -12.347 -2.522 1.00 1.00 H new ATOM 0 HA GLN A 2 15.778 -11.608 -0.073 1.00 1.00 H new ATOM 0 HB2 GLN A 2 16.927 -12.086 -2.444 1.00 1.00 H new ATOM 0 HB3 GLN A 2 16.434 -10.433 -2.755 1.00 1.00 H new ATOM 0 HG2 GLN A 2 17.915 -10.924 -0.203 1.00 1.00 H new ATOM 0 HG3 GLN A 2 18.827 -11.126 -1.685 1.00 1.00 H new ATOM 0 HE21 GLN A 2 18.948 -9.036 0.587 1.00 1.00 H new ATOM 0 HE22 GLN A 2 18.979 -7.513 -0.307 1.00 1.00 H new ATOM 37 N THR A 3 14.554 -9.393 0.126 1.00 1.00 N ATOM 38 CA THR A 3 13.689 -8.217 0.381 1.00 1.00 C ATOM 39 C THR A 3 14.475 -6.986 0.817 1.00 1.00 C ATOM 40 O THR A 3 15.082 -6.983 1.885 1.00 1.00 O ATOM 41 CB THR A 3 12.582 -8.502 1.408 1.00 1.00 C ATOM 42 OG1 THR A 3 11.798 -9.599 1.007 1.00 1.00 O ATOM 43 CG2 THR A 3 11.619 -7.316 1.496 1.00 1.00 C ATOM 0 H THR A 3 15.093 -9.673 0.946 1.00 1.00 H new ATOM 0 HA THR A 3 13.223 -8.006 -0.581 1.00 1.00 H new ATOM 0 HB THR A 3 13.077 -8.694 2.360 1.00 1.00 H new ATOM 0 HG1 THR A 3 11.383 -10.010 1.794 1.00 1.00 H new ATOM 0 HG21 THR A 3 10.841 -7.533 2.227 1.00 1.00 H new ATOM 0 HG22 THR A 3 12.167 -6.425 1.802 1.00 1.00 H new ATOM 0 HG23 THR A 3 11.163 -7.144 0.521 1.00 1.00 H new ATOM 51 N VAL A 4 14.407 -5.911 0.029 1.00 1.00 N ATOM 52 CA VAL A 4 15.131 -4.638 0.216 1.00 1.00 C ATOM 53 C VAL A 4 14.148 -3.492 0.487 1.00 1.00 C ATOM 54 O VAL A 4 13.237 -3.227 -0.301 1.00 1.00 O ATOM 55 CB VAL A 4 16.098 -4.323 -0.948 1.00 1.00 C ATOM 56 CG1 VAL A 4 17.044 -3.171 -0.564 1.00 1.00 C ATOM 57 CG2 VAL A 4 16.952 -5.549 -1.324 1.00 1.00 C ATOM 0 H VAL A 4 13.816 -5.898 -0.802 1.00 1.00 H new ATOM 0 HA VAL A 4 15.764 -4.749 1.096 1.00 1.00 H new ATOM 0 HB VAL A 4 15.485 -4.040 -1.804 1.00 1.00 H new ATOM 0 HG11 VAL A 4 17.718 -2.962 -1.394 1.00 1.00 H new ATOM 0 HG12 VAL A 4 16.459 -2.280 -0.338 1.00 1.00 H new ATOM 0 HG13 VAL A 4 17.626 -3.455 0.313 1.00 1.00 H new ATOM 0 HG21 VAL A 4 17.619 -5.289 -2.146 1.00 1.00 H new ATOM 0 HG22 VAL A 4 17.542 -5.860 -0.462 1.00 1.00 H new ATOM 0 HG23 VAL A 4 16.300 -6.367 -1.631 1.00 1.00 H new ATOM 67 N ILE A 5 14.318 -2.832 1.635 1.00 1.00 N ATOM 68 CA ILE A 5 13.416 -1.811 2.210 1.00 1.00 C ATOM 69 C ILE A 5 14.022 -0.399 2.105 1.00 1.00 C ATOM 70 O ILE A 5 15.094 -0.159 2.660 1.00 1.00 O ATOM 71 CB ILE A 5 13.087 -2.176 3.684 1.00 1.00 C ATOM 72 CG1 ILE A 5 12.543 -3.628 3.894 1.00 1.00 C ATOM 73 CG2 ILE A 5 12.089 -1.158 4.272 1.00 1.00 C ATOM 74 CD1 ILE A 5 13.462 -4.496 4.767 1.00 1.00 C ATOM 0 H ILE A 5 15.132 -2.999 2.227 1.00 1.00 H new ATOM 0 HA ILE A 5 12.490 -1.801 1.635 1.00 1.00 H new ATOM 0 HB ILE A 5 14.040 -2.136 4.211 1.00 1.00 H new ATOM 0 HG12 ILE A 5 11.556 -3.577 4.355 1.00 1.00 H new ATOM 0 HG13 ILE A 5 12.417 -4.106 2.923 1.00 1.00 H new ATOM 0 HG21 ILE A 5 11.865 -1.423 5.305 1.00 1.00 H new ATOM 0 HG22 ILE A 5 12.526 -0.160 4.240 1.00 1.00 H new ATOM 0 HG23 ILE A 5 11.169 -1.170 3.687 1.00 1.00 H new ATOM 0 HD11 ILE A 5 13.029 -5.490 4.874 1.00 1.00 H new ATOM 0 HD12 ILE A 5 14.442 -4.576 4.296 1.00 1.00 H new ATOM 0 HD13 ILE A 5 13.568 -4.038 5.751 1.00 1.00 H new ATOM 86 N PHE A 6 13.313 0.531 1.444 1.00 1.00 N ATOM 87 CA PHE A 6 13.777 1.890 1.091 1.00 1.00 C ATOM 88 C PHE A 6 13.205 3.013 2.000 1.00 1.00 C ATOM 89 O PHE A 6 12.073 3.474 1.836 1.00 1.00 O ATOM 90 CB PHE A 6 13.584 2.148 -0.417 1.00 1.00 C ATOM 91 CG PHE A 6 14.469 1.287 -1.315 1.00 1.00 C ATOM 92 CD1 PHE A 6 14.068 -0.024 -1.665 1.00 1.00 C ATOM 93 CD2 PHE A 6 15.707 1.781 -1.796 1.00 1.00 C ATOM 94 CE1 PHE A 6 14.877 -0.814 -2.509 1.00 1.00 C ATOM 95 CE2 PHE A 6 16.504 1.000 -2.661 1.00 1.00 C ATOM 96 CZ PHE A 6 16.080 -0.295 -3.029 1.00 1.00 C ATOM 0 H PHE A 6 12.360 0.352 1.126 1.00 1.00 H new ATOM 0 HA PHE A 6 14.847 1.928 1.295 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.540 1.969 -0.675 1.00 1.00 H new ATOM 0 HB3 PHE A 6 13.788 3.199 -0.624 1.00 1.00 H new ATOM 0 HD1 PHE A 6 13.139 -0.422 -1.285 1.00 1.00 H new ATOM 0 HD2 PHE A 6 16.044 2.763 -1.498 1.00 1.00 H new ATOM 0 HE1 PHE A 6 14.573 -1.820 -2.758 1.00 1.00 H new ATOM 0 HE2 PHE A 6 17.436 1.393 -3.040 1.00 1.00 H new ATOM 0 HZ PHE A 6 16.676 -0.887 -3.708 1.00 1.00 H new ATOM 106 N GLY A 7 14.020 3.485 2.956 1.00 1.00 N ATOM 107 CA GLY A 7 13.796 4.612 3.888 1.00 1.00 C ATOM 108 C GLY A 7 12.822 4.392 5.058 1.00 1.00 C ATOM 109 O GLY A 7 11.712 4.932 5.039 1.00 1.00 O ATOM 0 H GLY A 7 14.931 3.055 3.114 1.00 1.00 H new ATOM 0 HA2 GLY A 7 14.761 4.899 4.305 1.00 1.00 H new ATOM 0 HA3 GLY A 7 13.435 5.461 3.307 1.00 1.00 H new ATOM 113 N ARG A 8 13.255 3.671 6.104 1.00 1.00 N ATOM 114 CA ARG A 8 12.511 3.350 7.356 1.00 1.00 C ATOM 115 C ARG A 8 12.240 4.567 8.269 1.00 1.00 C ATOM 116 O ARG A 8 11.129 4.720 8.767 1.00 1.00 O ATOM 117 CB ARG A 8 13.293 2.264 8.142 1.00 1.00 C ATOM 118 CG ARG A 8 12.507 1.614 9.300 1.00 1.00 C ATOM 119 CD ARG A 8 13.427 0.962 10.347 1.00 1.00 C ATOM 120 NE ARG A 8 12.693 0.185 11.385 1.00 1.00 N ATOM 121 CZ ARG A 8 13.221 -0.608 12.294 1.00 1.00 C ATOM 122 NH1 ARG A 8 14.486 -0.747 12.463 1.00 1.00 N ATOM 123 NH2 ARG A 8 12.508 -1.371 13.044 1.00 1.00 N ATOM 0 H ARG A 8 14.191 3.266 6.109 1.00 1.00 H new ATOM 0 HA ARG A 8 11.529 2.990 7.050 1.00 1.00 H new ATOM 0 HB2 ARG A 8 13.601 1.483 7.447 1.00 1.00 H new ATOM 0 HB3 ARG A 8 14.203 2.710 8.544 1.00 1.00 H new ATOM 0 HG2 ARG A 8 11.890 2.370 9.785 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.830 0.861 8.897 1.00 1.00 H new ATOM 0 HD2 ARG A 8 14.130 0.301 9.840 1.00 1.00 H new ATOM 0 HD3 ARG A 8 14.016 1.739 10.835 1.00 1.00 H new ATOM 0 HE ARG A 8 11.677 0.277 11.392 1.00 1.00 H new ATOM 0 HH11 ARG A 8 15.139 -0.228 11.876 1.00 1.00 H new ATOM 0 HH12 ARG A 8 14.838 -1.377 13.184 1.00 1.00 H new ATOM 0 HH21 ARG A 8 11.493 -1.377 12.947 1.00 1.00 H new ATOM 0 HH22 ARG A 8 12.958 -1.970 13.736 1.00 1.00 H new ATOM 137 N SER A 9 13.204 5.486 8.385 1.00 1.00 N ATOM 138 CA SER A 9 13.248 6.629 9.332 1.00 1.00 C ATOM 139 C SER A 9 12.160 7.713 9.218 1.00 1.00 C ATOM 140 O SER A 9 11.910 8.408 10.205 1.00 1.00 O ATOM 141 CB SER A 9 14.583 7.383 9.158 1.00 1.00 C ATOM 142 OG SER A 9 15.699 6.520 9.164 1.00 1.00 O ATOM 0 H SER A 9 14.030 5.459 7.788 1.00 1.00 H new ATOM 0 HA SER A 9 13.098 6.136 10.293 1.00 1.00 H new ATOM 0 HB2 SER A 9 14.563 7.938 8.220 1.00 1.00 H new ATOM 0 HB3 SER A 9 14.690 8.114 9.959 1.00 1.00 H new ATOM 0 HG SER A 9 16.519 7.045 9.049 1.00 1.00 H new ATOM 148 N GLY A 10 11.516 7.881 8.055 1.00 1.00 N ATOM 149 CA GLY A 10 10.584 8.991 7.767 1.00 1.00 C ATOM 150 C GLY A 10 9.080 8.785 8.017 1.00 1.00 C ATOM 151 O GLY A 10 8.335 9.760 7.900 1.00 1.00 O ATOM 0 H GLY A 10 11.627 7.239 7.270 1.00 1.00 H new ATOM 0 HA2 GLY A 10 10.902 9.849 8.359 1.00 1.00 H new ATOM 0 HA3 GLY A 10 10.709 9.263 6.719 1.00 1.00 H new ATOM 155 N CYS A 11 8.606 7.562 8.308 1.00 1.00 N ATOM 156 CA CYS A 11 7.170 7.218 8.399 1.00 1.00 C ATOM 157 C CYS A 11 6.843 5.816 8.994 1.00 1.00 C ATOM 158 O CYS A 11 7.540 4.840 8.684 1.00 1.00 O ATOM 159 CB CYS A 11 6.570 7.323 6.981 1.00 1.00 C ATOM 160 SG CYS A 11 7.461 6.363 5.720 1.00 1.00 S ATOM 0 H CYS A 11 9.219 6.767 8.491 1.00 1.00 H new ATOM 0 HA CYS A 11 6.732 7.924 9.104 1.00 1.00 H new ATOM 0 HB2 CYS A 11 5.534 6.987 7.012 1.00 1.00 H new ATOM 0 HB3 CYS A 11 6.557 8.371 6.681 1.00 1.00 H new ATOM 165 N PRO A 12 5.711 5.660 9.727 1.00 1.00 N ATOM 166 CA PRO A 12 5.328 4.400 10.387 1.00 1.00 C ATOM 167 C PRO A 12 5.033 3.237 9.435 1.00 1.00 C ATOM 168 O PRO A 12 5.396 2.114 9.751 1.00 1.00 O ATOM 169 CB PRO A 12 4.093 4.712 11.234 1.00 1.00 C ATOM 170 CG PRO A 12 3.486 5.928 10.552 1.00 1.00 C ATOM 171 CD PRO A 12 4.713 6.682 10.035 1.00 1.00 C ATOM 0 HA PRO A 12 6.176 4.056 10.979 1.00 1.00 H new ATOM 0 HB2 PRO A 12 3.397 3.873 11.251 1.00 1.00 H new ATOM 0 HB3 PRO A 12 4.361 4.925 12.269 1.00 1.00 H new ATOM 0 HG2 PRO A 12 2.816 5.643 9.741 1.00 1.00 H new ATOM 0 HG3 PRO A 12 2.905 6.533 11.248 1.00 1.00 H new ATOM 0 HD2 PRO A 12 4.467 7.267 9.149 1.00 1.00 H new ATOM 0 HD3 PRO A 12 5.087 7.380 10.784 1.00 1.00 H new ATOM 179 N TYR A 13 4.421 3.466 8.264 1.00 1.00 N ATOM 180 CA TYR A 13 4.179 2.417 7.252 1.00 1.00 C ATOM 181 C TYR A 13 5.483 1.810 6.720 1.00 1.00 C ATOM 182 O TYR A 13 5.548 0.605 6.528 1.00 1.00 O ATOM 183 CB TYR A 13 3.329 2.963 6.106 1.00 1.00 C ATOM 184 CG TYR A 13 2.081 3.664 6.592 1.00 1.00 C ATOM 185 CD1 TYR A 13 0.956 2.918 7.016 1.00 1.00 C ATOM 186 CD2 TYR A 13 2.099 5.070 6.724 1.00 1.00 C ATOM 187 CE1 TYR A 13 -0.168 3.593 7.539 1.00 1.00 C ATOM 188 CE2 TYR A 13 0.976 5.736 7.244 1.00 1.00 C ATOM 189 CZ TYR A 13 -0.167 5.003 7.630 1.00 1.00 C ATOM 190 OH TYR A 13 -1.271 5.655 8.052 1.00 1.00 O ATOM 0 H TYR A 13 4.077 4.386 7.987 1.00 1.00 H new ATOM 0 HA TYR A 13 3.632 1.614 7.745 1.00 1.00 H new ATOM 0 HB2 TYR A 13 3.925 3.658 5.515 1.00 1.00 H new ATOM 0 HB3 TYR A 13 3.047 2.143 5.445 1.00 1.00 H new ATOM 0 HD1 TYR A 13 0.957 1.841 6.940 1.00 1.00 H new ATOM 0 HD2 TYR A 13 2.972 5.631 6.426 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -1.029 3.031 7.870 1.00 1.00 H new ATOM 0 HE2 TYR A 13 0.987 6.811 7.349 1.00 1.00 H new ATOM 0 HH TYR A 13 -1.099 6.620 8.057 1.00 1.00 H new ATOM 200 N SER A 14 6.526 2.628 6.516 1.00 1.00 N ATOM 201 CA SER A 14 7.894 2.183 6.180 1.00 1.00 C ATOM 202 C SER A 14 8.523 1.358 7.314 1.00 1.00 C ATOM 203 O SER A 14 9.052 0.275 7.053 1.00 1.00 O ATOM 204 CB SER A 14 8.790 3.378 5.863 1.00 1.00 C ATOM 205 OG SER A 14 9.921 2.962 5.147 1.00 1.00 O ATOM 0 H SER A 14 6.444 3.643 6.581 1.00 1.00 H new ATOM 0 HA SER A 14 7.813 1.547 5.299 1.00 1.00 H new ATOM 0 HB2 SER A 14 8.234 4.114 5.282 1.00 1.00 H new ATOM 0 HB3 SER A 14 9.096 3.867 6.788 1.00 1.00 H new ATOM 0 HG SER A 14 10.452 3.745 4.890 1.00 1.00 H new ATOM 211 N VAL A 15 8.396 1.816 8.578 1.00 1.00 N ATOM 212 CA VAL A 15 8.810 1.032 9.768 1.00 1.00 C ATOM 213 C VAL A 15 8.057 -0.292 9.854 1.00 1.00 C ATOM 214 O VAL A 15 8.726 -1.316 9.875 1.00 1.00 O ATOM 215 CB VAL A 15 8.588 1.772 11.112 1.00 1.00 C ATOM 216 CG1 VAL A 15 8.897 0.840 12.310 1.00 1.00 C ATOM 217 CG2 VAL A 15 9.418 3.060 11.192 1.00 1.00 C ATOM 0 H VAL A 15 8.007 2.731 8.804 1.00 1.00 H new ATOM 0 HA VAL A 15 9.879 0.871 9.626 1.00 1.00 H new ATOM 0 HB VAL A 15 7.537 2.057 11.161 1.00 1.00 H new ATOM 0 HG11 VAL A 15 8.734 1.380 13.243 1.00 1.00 H new ATOM 0 HG12 VAL A 15 8.239 -0.029 12.274 1.00 1.00 H new ATOM 0 HG13 VAL A 15 9.935 0.512 12.257 1.00 1.00 H new ATOM 0 HG21 VAL A 15 9.236 3.551 12.148 1.00 1.00 H new ATOM 0 HG22 VAL A 15 10.477 2.817 11.105 1.00 1.00 H new ATOM 0 HG23 VAL A 15 9.131 3.729 10.380 1.00 1.00 H new ATOM 227 N ARG A 16 6.715 -0.295 9.798 1.00 1.00 N ATOM 228 CA ARG A 16 5.849 -1.487 9.887 1.00 1.00 C ATOM 229 C ARG A 16 6.077 -2.439 8.704 1.00 1.00 C ATOM 230 O ARG A 16 6.236 -3.627 8.932 1.00 1.00 O ATOM 231 CB ARG A 16 4.377 -1.124 10.177 1.00 1.00 C ATOM 232 CG ARG A 16 4.153 -0.513 11.590 1.00 1.00 C ATOM 233 CD ARG A 16 2.840 -0.923 12.300 1.00 1.00 C ATOM 234 NE ARG A 16 1.669 -0.051 12.029 1.00 1.00 N ATOM 235 CZ ARG A 16 0.394 -0.361 12.152 1.00 1.00 C ATOM 236 NH1 ARG A 16 -0.062 -1.550 12.293 1.00 1.00 N ATOM 237 NH2 ARG A 16 -0.507 0.547 12.133 1.00 1.00 N ATOM 0 H ARG A 16 6.180 0.566 9.685 1.00 1.00 H new ATOM 0 HA ARG A 16 6.147 -2.063 10.763 1.00 1.00 H new ATOM 0 HB2 ARG A 16 4.031 -0.415 9.425 1.00 1.00 H new ATOM 0 HB3 ARG A 16 3.764 -2.020 10.076 1.00 1.00 H new ATOM 0 HG2 ARG A 16 4.992 -0.797 12.225 1.00 1.00 H new ATOM 0 HG3 ARG A 16 4.173 0.573 11.503 1.00 1.00 H new ATOM 0 HD2 ARG A 16 2.589 -1.941 12.003 1.00 1.00 H new ATOM 0 HD3 ARG A 16 3.018 -0.939 13.375 1.00 1.00 H new ATOM 0 HE ARG A 16 1.875 0.896 11.711 1.00 1.00 H new ATOM 0 HH11 ARG A 16 0.579 -2.343 12.317 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -1.066 -1.704 12.382 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -0.242 1.526 12.022 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -1.490 0.292 12.229 1.00 1.00 H new ATOM 251 N ALA A 17 6.238 -1.941 7.473 1.00 1.00 N ATOM 252 CA ALA A 17 6.638 -2.718 6.288 1.00 1.00 C ATOM 253 C ALA A 17 8.033 -3.388 6.462 1.00 1.00 C ATOM 254 O ALA A 17 8.189 -4.556 6.098 1.00 1.00 O ATOM 255 CB ALA A 17 6.570 -1.831 5.037 1.00 1.00 C ATOM 0 H ALA A 17 6.089 -0.954 7.264 1.00 1.00 H new ATOM 0 HA ALA A 17 5.933 -3.540 6.164 1.00 1.00 H new ATOM 0 HB1 ALA A 17 6.867 -2.411 4.163 1.00 1.00 H new ATOM 0 HB2 ALA A 17 5.551 -1.469 4.903 1.00 1.00 H new ATOM 0 HB3 ALA A 17 7.244 -0.983 5.155 1.00 1.00 H new ATOM 261 N LYS A 18 9.045 -2.672 7.010 1.00 1.00 N ATOM 262 CA LYS A 18 10.363 -3.239 7.400 1.00 1.00 C ATOM 263 C LYS A 18 10.170 -4.324 8.467 1.00 1.00 C ATOM 264 O LYS A 18 10.562 -5.469 8.290 1.00 1.00 O ATOM 265 CB LYS A 18 11.349 -2.170 7.932 1.00 1.00 C ATOM 266 CG LYS A 18 12.795 -2.729 8.053 1.00 1.00 C ATOM 267 CD LYS A 18 13.330 -2.881 9.498 1.00 1.00 C ATOM 268 CE LYS A 18 12.972 -4.217 10.189 1.00 1.00 C ATOM 269 NZ LYS A 18 12.469 -4.068 11.582 1.00 1.00 N ATOM 0 H LYS A 18 8.970 -1.672 7.197 1.00 1.00 H new ATOM 0 HA LYS A 18 10.800 -3.663 6.496 1.00 1.00 H new ATOM 0 HB2 LYS A 18 11.347 -1.309 7.264 1.00 1.00 H new ATOM 0 HB3 LYS A 18 11.012 -1.818 8.907 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.832 -3.703 7.566 1.00 1.00 H new ATOM 0 HG3 LYS A 18 13.468 -2.072 7.502 1.00 1.00 H new ATOM 0 HD2 LYS A 18 14.415 -2.777 9.481 1.00 1.00 H new ATOM 0 HD3 LYS A 18 12.941 -2.061 10.102 1.00 1.00 H new ATOM 0 HE2 LYS A 18 12.216 -4.729 9.594 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.855 -4.856 10.200 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 12.284 -5.008 11.987 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.182 -3.577 12.158 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 11.589 -3.514 11.576 1.00 1.00 H new ATOM 283 N ASP A 19 9.553 -3.953 9.587 1.00 1.00 N ATOM 284 CA ASP A 19 9.104 -4.812 10.683 1.00 1.00 C ATOM 285 C ASP A 19 8.387 -6.096 10.216 1.00 1.00 C ATOM 286 O ASP A 19 8.624 -7.154 10.797 1.00 1.00 O ATOM 287 CB ASP A 19 8.284 -3.959 11.672 1.00 1.00 C ATOM 288 CG ASP A 19 9.182 -3.375 12.766 1.00 1.00 C ATOM 289 OD1 ASP A 19 10.171 -2.671 12.436 1.00 1.00 O ATOM 290 OD2 ASP A 19 8.989 -3.738 13.950 1.00 1.00 O ATOM 0 H ASP A 19 9.338 -2.972 9.766 1.00 1.00 H new ATOM 0 HA ASP A 19 9.978 -5.203 11.203 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.786 -3.151 11.136 1.00 1.00 H new ATOM 0 HB3 ASP A 19 7.503 -4.570 12.125 1.00 1.00 H new ATOM 295 N LEU A 20 7.580 -6.019 9.152 1.00 1.00 N ATOM 296 CA LEU A 20 6.937 -7.123 8.431 1.00 1.00 C ATOM 297 C LEU A 20 7.956 -8.055 7.730 1.00 1.00 C ATOM 298 O LEU A 20 7.817 -9.272 7.806 1.00 1.00 O ATOM 299 CB LEU A 20 5.891 -6.579 7.432 1.00 1.00 C ATOM 300 CG LEU A 20 4.431 -6.731 7.899 1.00 1.00 C ATOM 301 CD1 LEU A 20 4.102 -5.982 9.201 1.00 1.00 C ATOM 302 CD2 LEU A 20 3.536 -6.217 6.776 1.00 1.00 C ATOM 0 H LEU A 20 7.342 -5.116 8.742 1.00 1.00 H new ATOM 0 HA LEU A 20 6.425 -7.737 9.172 1.00 1.00 H new ATOM 0 HB2 LEU A 20 6.094 -5.524 7.250 1.00 1.00 H new ATOM 0 HB3 LEU A 20 6.012 -7.096 6.480 1.00 1.00 H new ATOM 0 HG LEU A 20 4.263 -7.785 8.119 1.00 1.00 H new ATOM 0 HD11 LEU A 20 3.055 -6.142 9.458 1.00 1.00 H new ATOM 0 HD12 LEU A 20 4.735 -6.356 10.006 1.00 1.00 H new ATOM 0 HD13 LEU A 20 4.283 -4.916 9.063 1.00 1.00 H new ATOM 0 HD21 LEU A 20 2.491 -6.309 7.072 1.00 1.00 H new ATOM 0 HD22 LEU A 20 3.766 -5.170 6.578 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.711 -6.804 5.874 1.00 1.00 H new ATOM 314 N ALA A 21 8.968 -7.511 7.039 1.00 1.00 N ATOM 315 CA ALA A 21 10.098 -8.271 6.484 1.00 1.00 C ATOM 316 C ALA A 21 10.910 -8.979 7.610 1.00 1.00 C ATOM 317 O ALA A 21 11.263 -10.150 7.482 1.00 1.00 O ATOM 318 CB ALA A 21 10.934 -7.335 5.595 1.00 1.00 C ATOM 0 H ALA A 21 9.025 -6.511 6.846 1.00 1.00 H new ATOM 0 HA ALA A 21 9.739 -9.084 5.852 1.00 1.00 H new ATOM 0 HB1 ALA A 21 11.776 -7.886 5.177 1.00 1.00 H new ATOM 0 HB2 ALA A 21 10.313 -6.952 4.785 1.00 1.00 H new ATOM 0 HB3 ALA A 21 11.306 -6.503 6.192 1.00 1.00 H new ATOM 324 N GLU A 22 11.193 -8.300 8.736 1.00 1.00 N ATOM 325 CA GLU A 22 11.801 -8.902 9.953 1.00 1.00 C ATOM 326 C GLU A 22 10.902 -10.024 10.554 1.00 1.00 C ATOM 327 O GLU A 22 11.389 -11.131 10.786 1.00 1.00 O ATOM 328 CB GLU A 22 12.207 -7.793 10.960 1.00 1.00 C ATOM 329 CG GLU A 22 13.219 -8.255 12.031 1.00 1.00 C ATOM 330 CD GLU A 22 14.133 -7.128 12.561 1.00 1.00 C ATOM 331 OE1 GLU A 22 13.658 -6.138 13.162 1.00 1.00 O ATOM 332 OE2 GLU A 22 15.371 -7.206 12.380 1.00 1.00 O ATOM 0 H GLU A 22 11.006 -7.302 8.835 1.00 1.00 H new ATOM 0 HA GLU A 22 12.724 -9.411 9.677 1.00 1.00 H new ATOM 0 HB2 GLU A 22 12.634 -6.955 10.409 1.00 1.00 H new ATOM 0 HB3 GLU A 22 11.311 -7.423 11.458 1.00 1.00 H new ATOM 0 HG2 GLU A 22 12.673 -8.690 12.868 1.00 1.00 H new ATOM 0 HG3 GLU A 22 13.841 -9.046 11.611 1.00 1.00 H new ATOM 339 N LYS A 23 9.585 -9.788 10.700 1.00 1.00 N ATOM 340 CA LYS A 23 8.469 -10.708 11.081 1.00 1.00 C ATOM 341 C LYS A 23 8.409 -11.962 10.178 1.00 1.00 C ATOM 342 O LYS A 23 8.250 -13.067 10.693 1.00 1.00 O ATOM 343 CB LYS A 23 7.164 -9.863 11.045 1.00 1.00 C ATOM 344 CG LYS A 23 5.743 -10.450 11.223 1.00 1.00 C ATOM 345 CD LYS A 23 4.682 -9.347 10.917 1.00 1.00 C ATOM 346 CE LYS A 23 3.223 -9.667 11.295 1.00 1.00 C ATOM 347 NZ LYS A 23 2.309 -8.489 11.139 1.00 1.00 N ATOM 0 H LYS A 23 9.225 -8.847 10.539 1.00 1.00 H new ATOM 0 HA LYS A 23 8.622 -11.112 12.082 1.00 1.00 H new ATOM 0 HB2 LYS A 23 7.276 -9.099 11.815 1.00 1.00 H new ATOM 0 HB3 LYS A 23 7.162 -9.349 10.084 1.00 1.00 H new ATOM 0 HG2 LYS A 23 5.603 -11.300 10.555 1.00 1.00 H new ATOM 0 HG3 LYS A 23 5.616 -10.820 12.240 1.00 1.00 H new ATOM 0 HD2 LYS A 23 4.977 -8.437 11.439 1.00 1.00 H new ATOM 0 HD3 LYS A 23 4.717 -9.128 9.850 1.00 1.00 H new ATOM 0 HE2 LYS A 23 2.863 -10.485 10.672 1.00 1.00 H new ATOM 0 HE3 LYS A 23 3.188 -10.014 12.328 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 1.342 -8.762 11.407 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 2.633 -7.715 11.753 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 2.317 -8.172 10.149 1.00 1.00 H new ATOM 361 N LEU A 24 8.555 -11.800 8.857 1.00 1.00 N ATOM 362 CA LEU A 24 8.694 -12.849 7.828 1.00 1.00 C ATOM 363 C LEU A 24 10.017 -13.656 7.948 1.00 1.00 C ATOM 364 O LEU A 24 9.955 -14.882 7.985 1.00 1.00 O ATOM 365 CB LEU A 24 8.509 -12.213 6.428 1.00 1.00 C ATOM 366 CG LEU A 24 7.025 -12.051 6.006 1.00 1.00 C ATOM 367 CD1 LEU A 24 6.891 -11.140 4.778 1.00 1.00 C ATOM 368 CD2 LEU A 24 6.355 -13.394 5.673 1.00 1.00 C ATOM 0 H LEU A 24 8.582 -10.867 8.445 1.00 1.00 H new ATOM 0 HA LEU A 24 7.910 -13.589 7.987 1.00 1.00 H new ATOM 0 HB2 LEU A 24 8.989 -11.235 6.417 1.00 1.00 H new ATOM 0 HB3 LEU A 24 9.022 -12.828 5.689 1.00 1.00 H new ATOM 0 HG LEU A 24 6.524 -11.607 6.866 1.00 1.00 H new ATOM 0 HD11 LEU A 24 5.839 -11.047 4.507 1.00 1.00 H new ATOM 0 HD12 LEU A 24 7.295 -10.155 5.010 1.00 1.00 H new ATOM 0 HD13 LEU A 24 7.444 -11.571 3.943 1.00 1.00 H new ATOM 0 HD21 LEU A 24 5.318 -13.222 5.384 1.00 1.00 H new ATOM 0 HD22 LEU A 24 6.886 -13.872 4.850 1.00 1.00 H new ATOM 0 HD23 LEU A 24 6.385 -14.042 6.549 1.00 1.00 H new ATOM 380 N SER A 25 11.193 -13.007 8.060 1.00 1.00 N ATOM 381 CA SER A 25 12.510 -13.659 8.342 1.00 1.00 C ATOM 382 C SER A 25 12.540 -14.452 9.667 1.00 1.00 C ATOM 383 O SER A 25 13.163 -15.506 9.762 1.00 1.00 O ATOM 384 CB SER A 25 13.656 -12.632 8.323 1.00 1.00 C ATOM 385 OG SER A 25 14.902 -13.270 8.086 1.00 1.00 O ATOM 0 H SER A 25 11.267 -11.995 7.957 1.00 1.00 H new ATOM 0 HA SER A 25 12.652 -14.381 7.538 1.00 1.00 H new ATOM 0 HB2 SER A 25 13.470 -11.888 7.548 1.00 1.00 H new ATOM 0 HB3 SER A 25 13.690 -12.101 9.274 1.00 1.00 H new ATOM 0 HG SER A 25 14.913 -13.640 7.179 1.00 1.00 H new ATOM 391 N ASN A 26 11.827 -13.968 10.688 1.00 1.00 N ATOM 392 CA ASN A 26 11.553 -14.618 11.979 1.00 1.00 C ATOM 393 C ASN A 26 10.707 -15.915 11.804 1.00 1.00 C ATOM 394 O ASN A 26 10.915 -16.912 12.501 1.00 1.00 O ATOM 395 CB ASN A 26 10.914 -13.570 12.922 1.00 1.00 C ATOM 396 CG ASN A 26 10.871 -13.896 14.403 1.00 1.00 C ATOM 397 OD1 ASN A 26 11.706 -14.752 14.924 1.00 1.00 O flip ATOM 398 ND2 ASN A 26 10.115 -13.308 15.155 1.00 1.00 N flip ATOM 0 H ASN A 26 11.394 -13.046 10.633 1.00 1.00 H new ATOM 0 HA ASN A 26 12.480 -14.963 12.437 1.00 1.00 H new ATOM 0 HB2 ASN A 26 11.456 -12.632 12.799 1.00 1.00 H new ATOM 0 HB3 ASN A 26 9.892 -13.394 12.586 1.00 1.00 H new ATOM 0 HD21 ASN A 26 9.449 -12.632 14.782 1.00 1.00 H new ATOM 0 HD22 ASN A 26 10.148 -13.492 16.158 1.00 1.00 H new ATOM 405 N GLU A 27 9.682 -15.854 10.943 1.00 1.00 N ATOM 406 CA GLU A 27 8.711 -16.914 10.607 1.00 1.00 C ATOM 407 C GLU A 27 9.191 -17.967 9.570 1.00 1.00 C ATOM 408 O GLU A 27 8.684 -19.093 9.615 1.00 1.00 O ATOM 409 CB GLU A 27 7.410 -16.208 10.162 1.00 1.00 C ATOM 410 CG GLU A 27 6.310 -17.033 9.469 1.00 1.00 C ATOM 411 CD GLU A 27 4.976 -16.265 9.334 1.00 1.00 C ATOM 412 OE1 GLU A 27 4.640 -15.398 10.185 1.00 1.00 O ATOM 413 OE2 GLU A 27 4.193 -16.587 8.408 1.00 1.00 O ATOM 0 H GLU A 27 9.492 -14.998 10.421 1.00 1.00 H new ATOM 0 HA GLU A 27 8.558 -17.523 11.498 1.00 1.00 H new ATOM 0 HB2 GLU A 27 6.968 -15.747 11.045 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.689 -15.400 9.486 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.655 -17.329 8.478 1.00 1.00 H new ATOM 0 HG3 GLU A 27 6.140 -17.949 10.034 1.00 1.00 H new ATOM 420 N ARG A 28 10.136 -17.643 8.663 1.00 1.00 N ATOM 421 CA ARG A 28 10.731 -18.549 7.636 1.00 1.00 C ATOM 422 C ARG A 28 12.258 -18.429 7.461 1.00 1.00 C ATOM 423 O ARG A 28 12.818 -17.337 7.479 1.00 1.00 O ATOM 424 CB ARG A 28 10.089 -18.346 6.241 1.00 1.00 C ATOM 425 CG ARG A 28 8.591 -17.963 6.189 1.00 1.00 C ATOM 426 CD ARG A 28 7.930 -18.190 4.818 1.00 1.00 C ATOM 427 NE ARG A 28 8.512 -17.399 3.704 1.00 1.00 N ATOM 428 CZ ARG A 28 9.132 -17.837 2.632 1.00 1.00 C ATOM 429 NH1 ARG A 28 9.356 -19.072 2.364 1.00 1.00 N ATOM 430 NH2 ARG A 28 9.586 -17.037 1.738 1.00 1.00 N ATOM 0 H ARG A 28 10.528 -16.703 8.617 1.00 1.00 H new ATOM 0 HA ARG A 28 10.515 -19.541 8.033 1.00 1.00 H new ATOM 0 HB2 ARG A 28 10.652 -17.570 5.722 1.00 1.00 H new ATOM 0 HB3 ARG A 28 10.220 -19.268 5.674 1.00 1.00 H new ATOM 0 HG2 ARG A 28 8.053 -18.542 6.940 1.00 1.00 H new ATOM 0 HG3 ARG A 28 8.486 -16.913 6.461 1.00 1.00 H new ATOM 0 HD2 ARG A 28 8.000 -19.249 4.568 1.00 1.00 H new ATOM 0 HD3 ARG A 28 6.870 -17.951 4.898 1.00 1.00 H new ATOM 0 HE ARG A 28 8.418 -16.386 3.781 1.00 1.00 H new ATOM 0 HH11 ARG A 28 9.044 -19.798 3.008 1.00 1.00 H new ATOM 0 HH12 ARG A 28 9.846 -19.327 1.507 1.00 1.00 H new ATOM 0 HH21 ARG A 28 9.470 -16.030 1.849 1.00 1.00 H new ATOM 0 HH22 ARG A 28 10.063 -17.408 0.916 1.00 1.00 H new ATOM 444 N ASP A 29 12.898 -19.539 7.083 1.00 1.00 N ATOM 445 CA ASP A 29 14.357 -19.642 6.794 1.00 1.00 C ATOM 446 C ASP A 29 14.778 -19.096 5.403 1.00 1.00 C ATOM 447 O ASP A 29 15.866 -18.536 5.244 1.00 1.00 O ATOM 448 CB ASP A 29 14.827 -21.110 6.919 1.00 1.00 C ATOM 449 CG ASP A 29 14.963 -21.577 8.370 1.00 1.00 C ATOM 450 OD1 ASP A 29 16.002 -21.261 8.996 1.00 1.00 O ATOM 451 OD2 ASP A 29 14.048 -22.260 8.888 1.00 1.00 O ATOM 0 H ASP A 29 12.412 -20.427 6.962 1.00 1.00 H new ATOM 0 HA ASP A 29 14.840 -19.009 7.538 1.00 1.00 H new ATOM 0 HB2 ASP A 29 14.119 -21.757 6.401 1.00 1.00 H new ATOM 0 HB3 ASP A 29 15.788 -21.221 6.416 1.00 1.00 H new ATOM 456 N ASP A 30 13.886 -19.221 4.424 1.00 1.00 N ATOM 457 CA ASP A 30 13.901 -18.742 3.032 1.00 1.00 C ATOM 458 C ASP A 30 13.954 -17.225 2.819 1.00 1.00 C ATOM 459 O ASP A 30 14.428 -16.748 1.789 1.00 1.00 O ATOM 460 CB ASP A 30 12.541 -19.170 2.452 1.00 1.00 C ATOM 461 CG ASP A 30 12.444 -19.306 0.932 1.00 1.00 C ATOM 462 OD1 ASP A 30 13.442 -19.636 0.253 1.00 1.00 O ATOM 463 OD2 ASP A 30 11.320 -19.086 0.420 1.00 1.00 O ATOM 0 H ASP A 30 13.019 -19.726 4.607 1.00 1.00 H new ATOM 0 HA ASP A 30 14.805 -19.149 2.580 1.00 1.00 H new ATOM 0 HB2 ASP A 30 12.271 -20.128 2.895 1.00 1.00 H new ATOM 0 HB3 ASP A 30 11.792 -18.447 2.775 1.00 1.00 H new ATOM 468 N PHE A 31 13.520 -16.475 3.825 1.00 1.00 N ATOM 469 CA PHE A 31 13.313 -15.027 3.746 1.00 1.00 C ATOM 470 C PHE A 31 14.504 -14.223 4.296 1.00 1.00 C ATOM 471 O PHE A 31 14.863 -14.299 5.478 1.00 1.00 O ATOM 472 CB PHE A 31 11.996 -14.683 4.466 1.00 1.00 C ATOM 473 CG PHE A 31 11.548 -13.249 4.242 1.00 1.00 C ATOM 474 CD1 PHE A 31 12.245 -12.178 4.846 1.00 1.00 C ATOM 475 CD2 PHE A 31 10.456 -12.976 3.392 1.00 1.00 C ATOM 476 CE1 PHE A 31 11.861 -10.849 4.593 1.00 1.00 C ATOM 477 CE2 PHE A 31 10.053 -11.646 3.163 1.00 1.00 C ATOM 478 CZ PHE A 31 10.753 -10.582 3.768 1.00 1.00 C ATOM 0 H PHE A 31 13.296 -16.862 4.742 1.00 1.00 H new ATOM 0 HA PHE A 31 13.241 -14.738 2.698 1.00 1.00 H new ATOM 0 HB2 PHE A 31 11.214 -15.359 4.121 1.00 1.00 H new ATOM 0 HB3 PHE A 31 12.118 -14.856 5.535 1.00 1.00 H new ATOM 0 HD1 PHE A 31 13.076 -12.381 5.505 1.00 1.00 H new ATOM 0 HD2 PHE A 31 9.928 -13.789 2.916 1.00 1.00 H new ATOM 0 HE1 PHE A 31 12.417 -10.033 5.032 1.00 1.00 H new ATOM 0 HE2 PHE A 31 9.207 -11.441 2.524 1.00 1.00 H new ATOM 0 HZ PHE A 31 10.439 -9.563 3.598 1.00 1.00 H new ATOM 488 N GLN A 32 15.119 -13.454 3.391 1.00 1.00 N ATOM 489 CA GLN A 32 16.370 -12.698 3.554 1.00 1.00 C ATOM 490 C GLN A 32 16.140 -11.189 3.302 1.00 1.00 C ATOM 491 O GLN A 32 15.733 -10.780 2.215 1.00 1.00 O ATOM 492 CB GLN A 32 17.430 -13.313 2.615 1.00 1.00 C ATOM 493 CG GLN A 32 17.663 -14.832 2.801 1.00 1.00 C ATOM 494 CD GLN A 32 18.309 -15.186 4.141 1.00 1.00 C ATOM 495 OE1 GLN A 32 19.523 -15.281 4.255 1.00 1.00 O ATOM 496 NE2 GLN A 32 17.566 -15.380 5.200 1.00 1.00 N ATOM 0 H GLN A 32 14.729 -13.334 2.456 1.00 1.00 H new ATOM 0 HA GLN A 32 16.733 -12.771 4.579 1.00 1.00 H new ATOM 0 HB2 GLN A 32 17.130 -13.130 1.583 1.00 1.00 H new ATOM 0 HB3 GLN A 32 18.376 -12.794 2.769 1.00 1.00 H new ATOM 0 HG2 GLN A 32 16.709 -15.352 2.717 1.00 1.00 H new ATOM 0 HG3 GLN A 32 18.297 -15.197 1.993 1.00 1.00 H new ATOM 0 HE21 GLN A 32 16.551 -15.306 5.131 1.00 1.00 H new ATOM 0 HE22 GLN A 32 18.002 -15.605 6.094 1.00 1.00 H new ATOM 505 N TYR A 33 16.398 -10.358 4.311 1.00 1.00 N ATOM 506 CA TYR A 33 16.119 -8.912 4.434 1.00 1.00 C ATOM 507 C TYR A 33 17.327 -7.939 4.390 1.00 1.00 C ATOM 508 O TYR A 33 18.384 -8.214 4.959 1.00 1.00 O ATOM 509 CB TYR A 33 15.102 -8.617 5.562 1.00 1.00 C ATOM 510 CG TYR A 33 15.625 -7.965 6.836 1.00 1.00 C ATOM 511 CD1 TYR A 33 15.978 -6.592 6.830 1.00 1.00 C ATOM 512 CD2 TYR A 33 15.667 -8.692 8.050 1.00 1.00 C ATOM 513 CE1 TYR A 33 16.367 -5.953 8.028 1.00 1.00 C ATOM 514 CE2 TYR A 33 16.036 -8.047 9.252 1.00 1.00 C ATOM 515 CZ TYR A 33 16.383 -6.676 9.244 1.00 1.00 C ATOM 516 OH TYR A 33 16.690 -6.042 10.402 1.00 1.00 O ATOM 0 H TYR A 33 16.854 -10.709 5.153 1.00 1.00 H new ATOM 0 HA TYR A 33 15.643 -8.665 3.485 1.00 1.00 H new ATOM 0 HB2 TYR A 33 14.324 -7.974 5.152 1.00 1.00 H new ATOM 0 HB3 TYR A 33 14.626 -9.558 5.838 1.00 1.00 H new ATOM 0 HD1 TYR A 33 15.949 -6.033 5.906 1.00 1.00 H new ATOM 0 HD2 TYR A 33 15.416 -9.742 8.058 1.00 1.00 H new ATOM 0 HE1 TYR A 33 16.653 -4.911 8.016 1.00 1.00 H new ATOM 0 HE2 TYR A 33 16.053 -8.602 10.178 1.00 1.00 H new ATOM 0 HH TYR A 33 16.301 -6.532 11.156 1.00 1.00 H new ATOM 526 N GLN A 34 17.198 -6.820 3.664 1.00 1.00 N ATOM 527 CA GLN A 34 18.168 -5.714 3.556 1.00 1.00 C ATOM 528 C GLN A 34 17.488 -4.339 3.803 1.00 1.00 C ATOM 529 O GLN A 34 16.451 -4.025 3.220 1.00 1.00 O ATOM 530 CB GLN A 34 18.684 -5.725 2.106 1.00 1.00 C ATOM 531 CG GLN A 34 19.992 -4.960 1.857 1.00 1.00 C ATOM 532 CD GLN A 34 20.278 -4.933 0.358 1.00 1.00 C ATOM 533 OE1 GLN A 34 20.245 -5.946 -0.324 1.00 1.00 O ATOM 534 NE2 GLN A 34 20.543 -3.797 -0.233 1.00 1.00 N ATOM 0 H GLN A 34 16.364 -6.649 3.101 1.00 1.00 H new ATOM 0 HA GLN A 34 18.959 -5.847 4.294 1.00 1.00 H new ATOM 0 HB2 GLN A 34 18.827 -6.761 1.799 1.00 1.00 H new ATOM 0 HB3 GLN A 34 17.911 -5.305 1.462 1.00 1.00 H new ATOM 0 HG2 GLN A 34 19.912 -3.944 2.243 1.00 1.00 H new ATOM 0 HG3 GLN A 34 20.815 -5.439 2.388 1.00 1.00 H new ATOM 0 HE21 GLN A 34 20.577 -2.935 0.311 1.00 1.00 H new ATOM 0 HE22 GLN A 34 20.715 -3.773 -1.238 1.00 1.00 H new ATOM 543 N TYR A 35 18.098 -3.474 4.627 1.00 1.00 N ATOM 544 CA TYR A 35 17.639 -2.097 4.901 1.00 1.00 C ATOM 545 C TYR A 35 18.537 -1.012 4.256 1.00 1.00 C ATOM 546 O TYR A 35 19.753 -0.975 4.459 1.00 1.00 O ATOM 547 CB TYR A 35 17.409 -1.837 6.403 1.00 1.00 C ATOM 548 CG TYR A 35 16.984 -0.394 6.646 1.00 1.00 C ATOM 549 CD1 TYR A 35 15.880 0.130 5.929 1.00 1.00 C ATOM 550 CD2 TYR A 35 17.827 0.483 7.368 1.00 1.00 C ATOM 551 CE1 TYR A 35 15.676 1.521 5.858 1.00 1.00 C ATOM 552 CE2 TYR A 35 17.584 1.875 7.350 1.00 1.00 C ATOM 553 CZ TYR A 35 16.518 2.400 6.581 1.00 1.00 C ATOM 554 OH TYR A 35 16.315 3.740 6.512 1.00 1.00 O ATOM 0 H TYR A 35 18.948 -3.716 5.137 1.00 1.00 H new ATOM 0 HA TYR A 35 16.668 -2.014 4.413 1.00 1.00 H new ATOM 0 HB2 TYR A 35 16.643 -2.514 6.780 1.00 1.00 H new ATOM 0 HB3 TYR A 35 18.323 -2.049 6.957 1.00 1.00 H new ATOM 0 HD1 TYR A 35 15.192 -0.540 5.435 1.00 1.00 H new ATOM 0 HD2 TYR A 35 18.658 0.088 7.934 1.00 1.00 H new ATOM 0 HE1 TYR A 35 14.876 1.918 5.251 1.00 1.00 H new ATOM 0 HE2 TYR A 35 18.213 2.539 7.924 1.00 1.00 H new ATOM 0 HH TYR A 35 17.142 4.209 6.750 1.00 1.00 H new ATOM 564 N VAL A 36 17.913 -0.148 3.448 1.00 1.00 N ATOM 565 CA VAL A 36 18.504 0.946 2.657 1.00 1.00 C ATOM 566 C VAL A 36 17.741 2.263 2.908 1.00 1.00 C ATOM 567 O VAL A 36 16.551 2.352 2.630 1.00 1.00 O ATOM 568 CB VAL A 36 18.486 0.559 1.153 1.00 1.00 C ATOM 569 CG1 VAL A 36 19.126 1.662 0.311 1.00 1.00 C ATOM 570 CG2 VAL A 36 19.221 -0.767 0.854 1.00 1.00 C ATOM 0 H VAL A 36 16.903 -0.196 3.317 1.00 1.00 H new ATOM 0 HA VAL A 36 19.538 1.103 2.964 1.00 1.00 H new ATOM 0 HB VAL A 36 17.435 0.428 0.893 1.00 1.00 H new ATOM 0 HG11 VAL A 36 19.106 1.375 -0.740 1.00 1.00 H new ATOM 0 HG12 VAL A 36 18.571 2.590 0.445 1.00 1.00 H new ATOM 0 HG13 VAL A 36 20.159 1.808 0.627 1.00 1.00 H new ATOM 0 HG21 VAL A 36 19.171 -0.978 -0.214 1.00 1.00 H new ATOM 0 HG22 VAL A 36 20.264 -0.681 1.158 1.00 1.00 H new ATOM 0 HG23 VAL A 36 18.747 -1.578 1.407 1.00 1.00 H new ATOM 580 N ASP A 37 18.373 3.317 3.434 1.00 1.00 N ATOM 581 CA ASP A 37 17.740 4.656 3.544 1.00 1.00 C ATOM 582 C ASP A 37 17.637 5.413 2.207 1.00 1.00 C ATOM 583 O ASP A 37 18.424 5.222 1.283 1.00 1.00 O ATOM 584 CB ASP A 37 18.264 5.563 4.683 1.00 1.00 C ATOM 585 CG ASP A 37 19.250 4.918 5.665 1.00 1.00 C ATOM 586 OD1 ASP A 37 20.394 4.612 5.257 1.00 1.00 O ATOM 587 OD2 ASP A 37 18.901 4.815 6.863 1.00 1.00 O ATOM 0 H ASP A 37 19.326 3.279 3.794 1.00 1.00 H new ATOM 0 HA ASP A 37 16.724 4.400 3.844 1.00 1.00 H new ATOM 0 HB2 ASP A 37 18.746 6.432 4.235 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.408 5.931 5.249 1.00 1.00 H new ATOM 592 N ILE A 38 16.660 6.327 2.142 1.00 1.00 N ATOM 593 CA ILE A 38 16.413 7.238 1.003 1.00 1.00 C ATOM 594 C ILE A 38 16.288 8.694 1.484 1.00 1.00 C ATOM 595 O ILE A 38 17.083 9.536 1.071 1.00 1.00 O ATOM 596 CB ILE A 38 15.268 6.715 0.078 1.00 1.00 C ATOM 597 CG1 ILE A 38 13.837 6.794 0.677 1.00 1.00 C ATOM 598 CG2 ILE A 38 15.582 5.263 -0.346 1.00 1.00 C ATOM 599 CD1 ILE A 38 13.052 8.063 0.313 1.00 1.00 C ATOM 0 H ILE A 38 15.995 6.462 2.903 1.00 1.00 H new ATOM 0 HA ILE A 38 17.282 7.244 0.345 1.00 1.00 H new ATOM 0 HB ILE A 38 15.250 7.390 -0.778 1.00 1.00 H new ATOM 0 HG12 ILE A 38 13.270 5.925 0.342 1.00 1.00 H new ATOM 0 HG13 ILE A 38 13.909 6.728 1.763 1.00 1.00 H new ATOM 0 HG21 ILE A 38 14.786 4.892 -0.992 1.00 1.00 H new ATOM 0 HG22 ILE A 38 16.529 5.238 -0.886 1.00 1.00 H new ATOM 0 HG23 ILE A 38 15.653 4.632 0.540 1.00 1.00 H new ATOM 0 HD11 ILE A 38 12.066 8.027 0.777 1.00 1.00 H new ATOM 0 HD12 ILE A 38 13.590 8.940 0.673 1.00 1.00 H new ATOM 0 HD13 ILE A 38 12.941 8.124 -0.770 1.00 1.00 H new ATOM 611 N ARG A 39 15.427 8.964 2.485 1.00 1.00 N ATOM 612 CA ARG A 39 15.224 10.300 3.109 1.00 1.00 C ATOM 613 C ARG A 39 16.494 10.814 3.823 1.00 1.00 C ATOM 614 O ARG A 39 16.808 11.995 3.741 1.00 1.00 O ATOM 615 CB ARG A 39 13.988 10.286 4.053 1.00 1.00 C ATOM 616 CG ARG A 39 13.170 11.599 4.054 1.00 1.00 C ATOM 617 CD ARG A 39 13.728 12.831 4.799 1.00 1.00 C ATOM 618 NE ARG A 39 13.140 14.099 4.300 1.00 1.00 N ATOM 619 CZ ARG A 39 11.985 14.666 4.556 1.00 1.00 C ATOM 620 NH1 ARG A 39 11.157 14.286 5.456 1.00 1.00 N ATOM 621 NH2 ARG A 39 11.595 15.670 3.864 1.00 1.00 N ATOM 0 H ARG A 39 14.834 8.244 2.898 1.00 1.00 H new ATOM 0 HA ARG A 39 15.022 11.009 2.306 1.00 1.00 H new ATOM 0 HB2 ARG A 39 13.333 9.464 3.762 1.00 1.00 H new ATOM 0 HB3 ARG A 39 14.325 10.081 5.069 1.00 1.00 H new ATOM 0 HG2 ARG A 39 13.011 11.888 3.015 1.00 1.00 H new ATOM 0 HG3 ARG A 39 12.190 11.375 4.476 1.00 1.00 H new ATOM 0 HD2 ARG A 39 13.524 12.732 5.865 1.00 1.00 H new ATOM 0 HD3 ARG A 39 14.811 12.864 4.683 1.00 1.00 H new ATOM 0 HE ARG A 39 13.732 14.616 3.650 1.00 1.00 H new ATOM 0 HH11 ARG A 39 11.376 13.481 6.043 1.00 1.00 H new ATOM 0 HH12 ARG A 39 10.279 14.788 5.586 1.00 1.00 H new ATOM 0 HH21 ARG A 39 12.183 16.030 3.112 1.00 1.00 H new ATOM 0 HH22 ARG A 39 10.697 16.110 4.064 1.00 1.00 H new ATOM 635 N ALA A 40 17.261 9.912 4.453 1.00 1.00 N ATOM 636 CA ALA A 40 18.580 10.172 5.054 1.00 1.00 C ATOM 637 C ALA A 40 19.756 10.152 4.032 1.00 1.00 C ATOM 638 O ALA A 40 20.720 10.902 4.184 1.00 1.00 O ATOM 639 CB ALA A 40 18.761 9.140 6.179 1.00 1.00 C ATOM 0 H ALA A 40 16.968 8.941 4.563 1.00 1.00 H new ATOM 0 HA ALA A 40 18.607 11.189 5.446 1.00 1.00 H new ATOM 0 HB1 ALA A 40 19.728 9.291 6.659 1.00 1.00 H new ATOM 0 HB2 ALA A 40 17.967 9.262 6.916 1.00 1.00 H new ATOM 0 HB3 ALA A 40 18.716 8.134 5.761 1.00 1.00 H new ATOM 645 N GLU A 41 19.658 9.327 2.980 1.00 1.00 N ATOM 646 CA GLU A 41 20.654 9.109 1.903 1.00 1.00 C ATOM 647 C GLU A 41 20.632 10.124 0.720 1.00 1.00 C ATOM 648 O GLU A 41 21.518 10.084 -0.134 1.00 1.00 O ATOM 649 CB GLU A 41 20.439 7.679 1.352 1.00 1.00 C ATOM 650 CG GLU A 41 21.695 7.035 0.727 1.00 1.00 C ATOM 651 CD GLU A 41 22.249 5.908 1.610 1.00 1.00 C ATOM 652 OE1 GLU A 41 22.930 6.212 2.620 1.00 1.00 O ATOM 653 OE2 GLU A 41 22.005 4.713 1.324 1.00 1.00 O ATOM 0 H GLU A 41 18.827 8.752 2.843 1.00 1.00 H new ATOM 0 HA GLU A 41 21.631 9.258 2.363 1.00 1.00 H new ATOM 0 HB2 GLU A 41 20.085 7.041 2.162 1.00 1.00 H new ATOM 0 HB3 GLU A 41 19.650 7.708 0.601 1.00 1.00 H new ATOM 0 HG2 GLU A 41 21.450 6.639 -0.259 1.00 1.00 H new ATOM 0 HG3 GLU A 41 22.462 7.796 0.583 1.00 1.00 H new ATOM 660 N GLY A 42 19.623 11.006 0.626 1.00 1.00 N ATOM 661 CA GLY A 42 19.444 12.011 -0.454 1.00 1.00 C ATOM 662 C GLY A 42 18.592 11.583 -1.673 1.00 1.00 C ATOM 663 O GLY A 42 18.705 12.176 -2.749 1.00 1.00 O ATOM 0 H GLY A 42 18.878 11.046 1.322 1.00 1.00 H new ATOM 0 HA2 GLY A 42 18.990 12.901 -0.018 1.00 1.00 H new ATOM 0 HA3 GLY A 42 20.431 12.301 -0.815 1.00 1.00 H new ATOM 667 N ILE A 43 17.759 10.545 -1.525 1.00 1.00 N ATOM 668 CA ILE A 43 16.937 9.855 -2.551 1.00 1.00 C ATOM 669 C ILE A 43 15.440 9.973 -2.210 1.00 1.00 C ATOM 670 O ILE A 43 15.035 10.141 -1.058 1.00 1.00 O ATOM 671 CB ILE A 43 17.382 8.369 -2.694 1.00 1.00 C ATOM 672 CG1 ILE A 43 18.910 8.154 -2.880 1.00 1.00 C ATOM 673 CG2 ILE A 43 16.628 7.655 -3.841 1.00 1.00 C ATOM 674 CD1 ILE A 43 19.331 6.758 -2.401 1.00 1.00 C ATOM 0 H ILE A 43 17.625 10.123 -0.606 1.00 1.00 H new ATOM 0 HA ILE A 43 17.093 10.340 -3.515 1.00 1.00 H new ATOM 0 HB ILE A 43 17.119 7.927 -1.733 1.00 1.00 H new ATOM 0 HG12 ILE A 43 19.173 8.277 -3.931 1.00 1.00 H new ATOM 0 HG13 ILE A 43 19.458 8.914 -2.323 1.00 1.00 H new ATOM 0 HG21 ILE A 43 16.965 6.621 -3.910 1.00 1.00 H new ATOM 0 HG22 ILE A 43 15.557 7.675 -3.640 1.00 1.00 H new ATOM 0 HG23 ILE A 43 16.830 8.166 -4.782 1.00 1.00 H new ATOM 0 HD11 ILE A 43 20.405 6.633 -2.542 1.00 1.00 H new ATOM 0 HD12 ILE A 43 19.089 6.648 -1.344 1.00 1.00 H new ATOM 0 HD13 ILE A 43 18.799 6.000 -2.976 1.00 1.00 H new ATOM 686 N THR A 44 14.592 9.842 -3.231 1.00 1.00 N ATOM 687 CA THR A 44 13.141 10.102 -3.164 1.00 1.00 C ATOM 688 C THR A 44 12.250 9.155 -3.983 1.00 1.00 C ATOM 689 O THR A 44 12.726 8.424 -4.853 1.00 1.00 O ATOM 690 CB THR A 44 12.956 11.563 -3.608 1.00 1.00 C ATOM 691 OG1 THR A 44 11.623 11.956 -3.450 1.00 1.00 O ATOM 692 CG2 THR A 44 13.487 11.884 -5.008 1.00 1.00 C ATOM 0 H THR A 44 14.898 9.544 -4.157 1.00 1.00 H new ATOM 0 HA THR A 44 12.807 9.917 -2.143 1.00 1.00 H new ATOM 0 HB THR A 44 13.585 12.157 -2.945 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.133 11.791 -4.282 1.00 1.00 H new ATOM 0 HG21 THR A 44 13.311 12.936 -5.231 1.00 1.00 H new ATOM 0 HG22 THR A 44 14.557 11.678 -5.047 1.00 1.00 H new ATOM 0 HG23 THR A 44 12.971 11.266 -5.743 1.00 1.00 H new ATOM 700 N LYS A 45 10.927 9.207 -3.749 1.00 1.00 N ATOM 701 CA LYS A 45 9.872 8.514 -4.524 1.00 1.00 C ATOM 702 C LYS A 45 9.997 8.724 -6.052 1.00 1.00 C ATOM 703 O LYS A 45 9.791 7.771 -6.803 1.00 1.00 O ATOM 704 CB LYS A 45 8.471 8.807 -3.907 1.00 1.00 C ATOM 705 CG LYS A 45 7.316 9.105 -4.888 1.00 1.00 C ATOM 706 CD LYS A 45 7.200 10.595 -5.265 1.00 1.00 C ATOM 707 CE LYS A 45 6.750 10.795 -6.718 1.00 1.00 C ATOM 708 NZ LYS A 45 6.367 12.201 -6.974 1.00 1.00 N ATOM 0 H LYS A 45 10.542 9.757 -2.981 1.00 1.00 H new ATOM 0 HA LYS A 45 10.016 7.438 -4.431 1.00 1.00 H new ATOM 0 HB2 LYS A 45 8.184 7.950 -3.298 1.00 1.00 H new ATOM 0 HB3 LYS A 45 8.570 9.658 -3.233 1.00 1.00 H new ATOM 0 HG2 LYS A 45 7.460 8.519 -5.796 1.00 1.00 H new ATOM 0 HG3 LYS A 45 6.377 8.777 -4.442 1.00 1.00 H new ATOM 0 HD2 LYS A 45 6.490 11.082 -4.597 1.00 1.00 H new ATOM 0 HD3 LYS A 45 8.164 11.081 -5.115 1.00 1.00 H new ATOM 0 HE2 LYS A 45 7.556 10.507 -7.393 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.905 10.141 -6.932 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 6.035 12.297 -7.955 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 5.605 12.477 -6.322 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 7.191 12.818 -6.825 1.00 1.00 H new ATOM 722 N GLU A 46 10.403 9.921 -6.501 1.00 1.00 N ATOM 723 CA GLU A 46 10.676 10.274 -7.918 1.00 1.00 C ATOM 724 C GLU A 46 11.862 9.472 -8.536 1.00 1.00 C ATOM 725 O GLU A 46 11.900 9.260 -9.745 1.00 1.00 O ATOM 726 CB GLU A 46 11.017 11.777 -8.038 1.00 1.00 C ATOM 727 CG GLU A 46 9.841 12.756 -7.857 1.00 1.00 C ATOM 728 CD GLU A 46 9.527 13.069 -6.383 1.00 1.00 C ATOM 729 OE1 GLU A 46 10.235 12.610 -5.458 1.00 1.00 O ATOM 730 OE2 GLU A 46 8.504 13.736 -6.107 1.00 1.00 O ATOM 0 H GLU A 46 10.559 10.706 -5.869 1.00 1.00 H new ATOM 0 HA GLU A 46 9.767 10.023 -8.465 1.00 1.00 H new ATOM 0 HB2 GLU A 46 11.779 12.016 -7.297 1.00 1.00 H new ATOM 0 HB3 GLU A 46 11.460 11.951 -9.018 1.00 1.00 H new ATOM 0 HG2 GLU A 46 10.069 13.686 -8.378 1.00 1.00 H new ATOM 0 HG3 GLU A 46 8.953 12.336 -8.329 1.00 1.00 H new ATOM 737 N ASP A 47 12.830 9.018 -7.726 1.00 1.00 N ATOM 738 CA ASP A 47 13.951 8.124 -8.085 1.00 1.00 C ATOM 739 C ASP A 47 13.585 6.615 -7.998 1.00 1.00 C ATOM 740 O ASP A 47 14.029 5.802 -8.816 1.00 1.00 O ATOM 741 CB ASP A 47 15.127 8.431 -7.128 1.00 1.00 C ATOM 742 CG ASP A 47 16.427 7.777 -7.598 1.00 1.00 C ATOM 743 OD1 ASP A 47 16.943 8.123 -8.688 1.00 1.00 O ATOM 744 OD2 ASP A 47 16.916 6.839 -6.931 1.00 1.00 O ATOM 0 H ASP A 47 12.856 9.279 -6.740 1.00 1.00 H new ATOM 0 HA ASP A 47 14.216 8.313 -9.125 1.00 1.00 H new ATOM 0 HB2 ASP A 47 15.267 9.510 -7.059 1.00 1.00 H new ATOM 0 HB3 ASP A 47 14.883 8.076 -6.127 1.00 1.00 H new ATOM 749 N LEU A 48 12.795 6.238 -6.983 1.00 1.00 N ATOM 750 CA LEU A 48 12.313 4.879 -6.683 1.00 1.00 C ATOM 751 C LEU A 48 11.324 4.339 -7.744 1.00 1.00 C ATOM 752 O LEU A 48 11.576 3.272 -8.299 1.00 1.00 O ATOM 753 CB LEU A 48 11.741 4.861 -5.242 1.00 1.00 C ATOM 754 CG LEU A 48 12.825 5.023 -4.142 1.00 1.00 C ATOM 755 CD1 LEU A 48 12.230 5.447 -2.795 1.00 1.00 C ATOM 756 CD2 LEU A 48 13.603 3.716 -3.941 1.00 1.00 C ATOM 0 H LEU A 48 12.452 6.918 -6.304 1.00 1.00 H new ATOM 0 HA LEU A 48 13.153 4.186 -6.733 1.00 1.00 H new ATOM 0 HB2 LEU A 48 11.009 5.662 -5.140 1.00 1.00 H new ATOM 0 HB3 LEU A 48 11.210 3.922 -5.082 1.00 1.00 H new ATOM 0 HG LEU A 48 13.495 5.809 -4.491 1.00 1.00 H new ATOM 0 HD11 LEU A 48 13.028 5.547 -2.060 1.00 1.00 H new ATOM 0 HD12 LEU A 48 11.719 6.403 -2.908 1.00 1.00 H new ATOM 0 HD13 LEU A 48 11.519 4.693 -2.458 1.00 1.00 H new ATOM 0 HD21 LEU A 48 14.356 3.856 -3.165 1.00 1.00 H new ATOM 0 HD22 LEU A 48 12.915 2.926 -3.640 1.00 1.00 H new ATOM 0 HD23 LEU A 48 14.091 3.436 -4.874 1.00 1.00 H new ATOM 768 N GLN A 49 10.257 5.085 -8.086 1.00 1.00 N ATOM 769 CA GLN A 49 9.256 4.782 -9.149 1.00 1.00 C ATOM 770 C GLN A 49 9.859 4.285 -10.491 1.00 1.00 C ATOM 771 O GLN A 49 9.336 3.366 -11.118 1.00 1.00 O ATOM 772 CB GLN A 49 8.370 6.035 -9.373 1.00 1.00 C ATOM 773 CG GLN A 49 9.068 7.261 -10.000 1.00 1.00 C ATOM 774 CD GLN A 49 8.233 8.544 -10.086 1.00 1.00 C ATOM 775 OE1 GLN A 49 8.451 9.386 -10.934 1.00 1.00 O ATOM 776 NE2 GLN A 49 7.242 8.799 -9.270 1.00 1.00 N ATOM 0 H GLN A 49 10.051 5.963 -7.609 1.00 1.00 H new ATOM 0 HA GLN A 49 8.662 3.942 -8.789 1.00 1.00 H new ATOM 0 HB2 GLN A 49 7.533 5.753 -10.012 1.00 1.00 H new ATOM 0 HB3 GLN A 49 7.950 6.334 -8.412 1.00 1.00 H new ATOM 0 HG2 GLN A 49 9.968 7.476 -9.423 1.00 1.00 H new ATOM 0 HG3 GLN A 49 9.391 6.994 -11.006 1.00 1.00 H new ATOM 0 HE21 GLN A 49 7.004 8.135 -8.534 1.00 1.00 H new ATOM 0 HE22 GLN A 49 6.708 9.662 -9.370 1.00 1.00 H new ATOM 785 N GLN A 50 10.993 4.869 -10.900 1.00 1.00 N ATOM 786 CA GLN A 50 11.763 4.583 -12.121 1.00 1.00 C ATOM 787 C GLN A 50 12.353 3.153 -12.099 1.00 1.00 C ATOM 788 O GLN A 50 11.906 2.291 -12.858 1.00 1.00 O ATOM 789 CB GLN A 50 12.852 5.666 -12.292 1.00 1.00 C ATOM 790 CG GLN A 50 12.327 7.117 -12.339 1.00 1.00 C ATOM 791 CD GLN A 50 13.441 8.163 -12.340 1.00 1.00 C ATOM 792 OE1 GLN A 50 14.578 7.933 -11.954 1.00 1.00 O ATOM 793 NE2 GLN A 50 13.170 9.375 -12.741 1.00 1.00 N ATOM 0 H GLN A 50 11.429 5.607 -10.347 1.00 1.00 H new ATOM 0 HA GLN A 50 11.100 4.617 -12.985 1.00 1.00 H new ATOM 0 HB2 GLN A 50 13.562 5.579 -11.470 1.00 1.00 H new ATOM 0 HB3 GLN A 50 13.402 5.465 -13.211 1.00 1.00 H new ATOM 0 HG2 GLN A 50 11.716 7.246 -13.232 1.00 1.00 H new ATOM 0 HG3 GLN A 50 11.677 7.289 -11.481 1.00 1.00 H new ATOM 0 HE21 GLN A 50 12.233 9.606 -13.070 1.00 1.00 H new ATOM 0 HE22 GLN A 50 13.896 10.092 -12.725 1.00 1.00 H new ATOM 802 N LYS A 51 13.284 2.865 -11.169 1.00 1.00 N ATOM 803 CA LYS A 51 13.860 1.521 -10.873 1.00 1.00 C ATOM 804 C LYS A 51 12.834 0.463 -10.408 1.00 1.00 C ATOM 805 O LYS A 51 13.088 -0.737 -10.527 1.00 1.00 O ATOM 806 CB LYS A 51 15.021 1.665 -9.867 1.00 1.00 C ATOM 807 CG LYS A 51 16.238 2.369 -10.503 1.00 1.00 C ATOM 808 CD LYS A 51 17.435 2.536 -9.550 1.00 1.00 C ATOM 809 CE LYS A 51 17.174 3.395 -8.304 1.00 1.00 C ATOM 810 NZ LYS A 51 16.660 4.745 -8.633 1.00 1.00 N ATOM 0 H LYS A 51 13.679 3.591 -10.571 1.00 1.00 H new ATOM 0 HA LYS A 51 14.234 1.132 -11.820 1.00 1.00 H new ATOM 0 HB2 LYS A 51 14.684 2.232 -9.000 1.00 1.00 H new ATOM 0 HB3 LYS A 51 15.317 0.679 -9.508 1.00 1.00 H new ATOM 0 HG2 LYS A 51 16.559 1.800 -11.376 1.00 1.00 H new ATOM 0 HG3 LYS A 51 15.931 3.352 -10.859 1.00 1.00 H new ATOM 0 HD2 LYS A 51 17.760 1.547 -9.226 1.00 1.00 H new ATOM 0 HD3 LYS A 51 18.262 2.977 -10.107 1.00 1.00 H new ATOM 0 HE2 LYS A 51 16.457 2.885 -7.661 1.00 1.00 H new ATOM 0 HE3 LYS A 51 18.099 3.492 -7.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 17.022 5.432 -7.942 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 16.976 5.014 -9.587 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 15.620 4.738 -8.602 1.00 1.00 H new ATOM 824 N ALA A 52 11.682 0.900 -9.894 1.00 1.00 N ATOM 825 CA ALA A 52 10.497 0.106 -9.547 1.00 1.00 C ATOM 826 C ALA A 52 9.578 -0.239 -10.750 1.00 1.00 C ATOM 827 O ALA A 52 8.719 -1.115 -10.622 1.00 1.00 O ATOM 828 CB ALA A 52 9.684 0.901 -8.509 1.00 1.00 C ATOM 0 H ALA A 52 11.541 1.890 -9.694 1.00 1.00 H new ATOM 0 HA ALA A 52 10.855 -0.849 -9.162 1.00 1.00 H new ATOM 0 HB1 ALA A 52 8.795 0.334 -8.232 1.00 1.00 H new ATOM 0 HB2 ALA A 52 10.295 1.074 -7.623 1.00 1.00 H new ATOM 0 HB3 ALA A 52 9.385 1.858 -8.936 1.00 1.00 H new ATOM 834 N GLY A 53 9.704 0.461 -11.888 1.00 1.00 N ATOM 835 CA GLY A 53 8.830 0.409 -13.073 1.00 1.00 C ATOM 836 C GLY A 53 7.451 1.069 -12.873 1.00 1.00 C ATOM 837 O GLY A 53 6.944 1.730 -13.783 1.00 1.00 O ATOM 0 H GLY A 53 10.470 1.123 -12.014 1.00 1.00 H new ATOM 0 HA2 GLY A 53 9.336 0.898 -13.905 1.00 1.00 H new ATOM 0 HA3 GLY A 53 8.683 -0.633 -13.357 1.00 1.00 H new ATOM 841 N LYS A 54 6.850 0.914 -11.683 1.00 1.00 N ATOM 842 CA LYS A 54 5.559 1.462 -11.222 1.00 1.00 C ATOM 843 C LYS A 54 5.680 2.971 -10.896 1.00 1.00 C ATOM 844 O LYS A 54 6.470 3.309 -10.010 1.00 1.00 O ATOM 845 CB LYS A 54 5.068 0.623 -10.010 1.00 1.00 C ATOM 846 CG LYS A 54 3.931 1.267 -9.184 1.00 1.00 C ATOM 847 CD LYS A 54 3.260 0.287 -8.201 1.00 1.00 C ATOM 848 CE LYS A 54 2.426 1.051 -7.163 1.00 1.00 C ATOM 849 NZ LYS A 54 1.688 0.151 -6.248 1.00 1.00 N ATOM 0 H LYS A 54 7.291 0.354 -10.953 1.00 1.00 H new ATOM 0 HA LYS A 54 4.815 1.388 -12.015 1.00 1.00 H new ATOM 0 HB2 LYS A 54 4.728 -0.347 -10.373 1.00 1.00 H new ATOM 0 HB3 LYS A 54 5.915 0.437 -9.350 1.00 1.00 H new ATOM 0 HG2 LYS A 54 4.331 2.113 -8.626 1.00 1.00 H new ATOM 0 HG3 LYS A 54 3.176 1.662 -9.864 1.00 1.00 H new ATOM 0 HD2 LYS A 54 2.622 -0.407 -8.749 1.00 1.00 H new ATOM 0 HD3 LYS A 54 4.021 -0.309 -7.697 1.00 1.00 H new ATOM 0 HE2 LYS A 54 3.082 1.697 -6.580 1.00 1.00 H new ATOM 0 HE3 LYS A 54 1.717 1.699 -7.678 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 0.665 0.270 -6.394 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 1.953 -0.836 -6.443 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 1.927 0.385 -5.263 1.00 1.00 H new ATOM 863 N PRO A 55 4.889 3.877 -11.522 1.00 1.00 N ATOM 864 CA PRO A 55 4.816 5.302 -11.164 1.00 1.00 C ATOM 865 C PRO A 55 4.192 5.503 -9.759 1.00 1.00 C ATOM 866 O PRO A 55 3.019 5.860 -9.614 1.00 1.00 O ATOM 867 CB PRO A 55 4.061 5.980 -12.319 1.00 1.00 C ATOM 868 CG PRO A 55 3.152 4.878 -12.850 1.00 1.00 C ATOM 869 CD PRO A 55 3.992 3.618 -12.645 1.00 1.00 C ATOM 0 HA PRO A 55 5.797 5.765 -11.061 1.00 1.00 H new ATOM 0 HB2 PRO A 55 3.488 6.840 -11.973 1.00 1.00 H new ATOM 0 HB3 PRO A 55 4.745 6.341 -13.088 1.00 1.00 H new ATOM 0 HG2 PRO A 55 2.211 4.831 -12.302 1.00 1.00 H new ATOM 0 HG3 PRO A 55 2.902 5.031 -13.900 1.00 1.00 H new ATOM 0 HD2 PRO A 55 3.354 2.759 -12.438 1.00 1.00 H new ATOM 0 HD3 PRO A 55 4.560 3.383 -13.545 1.00 1.00 H new ATOM 877 N VAL A 56 4.981 5.257 -8.703 1.00 1.00 N ATOM 878 CA VAL A 56 4.645 5.514 -7.277 1.00 1.00 C ATOM 879 C VAL A 56 4.554 7.022 -6.956 1.00 1.00 C ATOM 880 O VAL A 56 5.207 7.846 -7.597 1.00 1.00 O ATOM 881 CB VAL A 56 5.610 4.813 -6.275 1.00 1.00 C ATOM 882 CG1 VAL A 56 5.774 3.299 -6.537 1.00 1.00 C ATOM 883 CG2 VAL A 56 7.030 5.398 -6.162 1.00 1.00 C ATOM 0 H VAL A 56 5.912 4.856 -8.814 1.00 1.00 H new ATOM 0 HA VAL A 56 3.659 5.070 -7.142 1.00 1.00 H new ATOM 0 HB VAL A 56 5.091 5.003 -5.336 1.00 1.00 H new ATOM 0 HG11 VAL A 56 6.459 2.875 -5.803 1.00 1.00 H new ATOM 0 HG12 VAL A 56 4.804 2.808 -6.454 1.00 1.00 H new ATOM 0 HG13 VAL A 56 6.175 3.144 -7.539 1.00 1.00 H new ATOM 0 HG21 VAL A 56 7.603 4.824 -5.434 1.00 1.00 H new ATOM 0 HG22 VAL A 56 7.523 5.347 -7.133 1.00 1.00 H new ATOM 0 HG23 VAL A 56 6.971 6.437 -5.839 1.00 1.00 H new ATOM 893 N GLU A 57 3.789 7.393 -5.934 1.00 1.00 N ATOM 894 CA GLU A 57 3.637 8.767 -5.388 1.00 1.00 C ATOM 895 C GLU A 57 3.800 8.861 -3.847 1.00 1.00 C ATOM 896 O GLU A 57 4.125 9.925 -3.325 1.00 1.00 O ATOM 897 CB GLU A 57 2.297 9.371 -5.881 1.00 1.00 C ATOM 898 CG GLU A 57 2.174 10.905 -5.746 1.00 1.00 C ATOM 899 CD GLU A 57 3.300 11.681 -6.457 1.00 1.00 C ATOM 900 OE1 GLU A 57 3.724 11.298 -7.574 1.00 1.00 O ATOM 901 OE2 GLU A 57 3.852 12.651 -5.881 1.00 1.00 O ATOM 0 H GLU A 57 3.220 6.716 -5.425 1.00 1.00 H new ATOM 0 HA GLU A 57 4.463 9.364 -5.774 1.00 1.00 H new ATOM 0 HB2 GLU A 57 2.161 9.103 -6.929 1.00 1.00 H new ATOM 0 HB3 GLU A 57 1.482 8.908 -5.325 1.00 1.00 H new ATOM 0 HG2 GLU A 57 1.214 11.221 -6.153 1.00 1.00 H new ATOM 0 HG3 GLU A 57 2.174 11.169 -4.688 1.00 1.00 H new ATOM 908 N THR A 58 3.681 7.736 -3.133 1.00 1.00 N ATOM 909 CA THR A 58 3.647 7.526 -1.663 1.00 1.00 C ATOM 910 C THR A 58 4.396 6.255 -1.212 1.00 1.00 C ATOM 911 O THR A 58 5.040 5.557 -1.997 1.00 1.00 O ATOM 912 CB THR A 58 2.195 7.471 -1.125 1.00 1.00 C ATOM 913 OG1 THR A 58 1.448 6.511 -1.838 1.00 1.00 O ATOM 914 CG2 THR A 58 1.508 8.828 -1.190 1.00 1.00 C ATOM 0 H THR A 58 3.596 6.843 -3.618 1.00 1.00 H new ATOM 0 HA THR A 58 4.162 8.389 -1.242 1.00 1.00 H new ATOM 0 HB THR A 58 2.247 7.183 -0.075 1.00 1.00 H new ATOM 0 HG1 THR A 58 0.941 5.957 -1.208 1.00 1.00 H new ATOM 0 HG21 THR A 58 0.493 8.741 -0.803 1.00 1.00 H new ATOM 0 HG22 THR A 58 2.065 9.547 -0.589 1.00 1.00 H new ATOM 0 HG23 THR A 58 1.473 9.169 -2.225 1.00 1.00 H new ATOM 922 N VAL A 59 4.383 5.986 0.101 1.00 1.00 N ATOM 923 CA VAL A 59 4.904 4.746 0.757 1.00 1.00 C ATOM 924 C VAL A 59 3.838 3.648 0.993 1.00 1.00 C ATOM 925 O VAL A 59 2.646 3.952 0.934 1.00 1.00 O ATOM 926 CB VAL A 59 5.607 5.056 2.110 1.00 1.00 C ATOM 927 CG1 VAL A 59 7.129 5.147 1.897 1.00 1.00 C ATOM 928 CG2 VAL A 59 4.969 6.245 2.838 1.00 1.00 C ATOM 0 H VAL A 59 3.996 6.645 0.776 1.00 1.00 H new ATOM 0 HA VAL A 59 5.624 4.354 0.039 1.00 1.00 H new ATOM 0 HB VAL A 59 5.450 4.230 2.803 1.00 1.00 H new ATOM 0 HG11 VAL A 59 7.617 5.364 2.847 1.00 1.00 H new ATOM 0 HG12 VAL A 59 7.499 4.199 1.507 1.00 1.00 H new ATOM 0 HG13 VAL A 59 7.350 5.943 1.185 1.00 1.00 H new ATOM 0 HG21 VAL A 59 5.495 6.422 3.776 1.00 1.00 H new ATOM 0 HG22 VAL A 59 5.037 7.134 2.211 1.00 1.00 H new ATOM 0 HG23 VAL A 59 3.922 6.026 3.045 1.00 1.00 H new ATOM 938 N PRO A 60 4.244 2.395 1.331 1.00 1.00 N ATOM 939 CA PRO A 60 5.628 1.875 1.414 1.00 1.00 C ATOM 940 C PRO A 60 6.352 1.744 0.055 1.00 1.00 C ATOM 941 O PRO A 60 5.747 1.818 -1.015 1.00 1.00 O ATOM 942 CB PRO A 60 5.528 0.542 2.164 1.00 1.00 C ATOM 943 CG PRO A 60 4.126 0.055 1.814 1.00 1.00 C ATOM 944 CD PRO A 60 3.310 1.337 1.680 1.00 1.00 C ATOM 0 HA PRO A 60 6.258 2.590 1.943 1.00 1.00 H new ATOM 0 HB2 PRO A 60 6.293 -0.163 1.838 1.00 1.00 H new ATOM 0 HB3 PRO A 60 5.653 0.673 3.239 1.00 1.00 H new ATOM 0 HG2 PRO A 60 4.123 -0.518 0.887 1.00 1.00 H new ATOM 0 HG3 PRO A 60 3.724 -0.594 2.592 1.00 1.00 H new ATOM 0 HD2 PRO A 60 2.544 1.229 0.912 1.00 1.00 H new ATOM 0 HD3 PRO A 60 2.796 1.567 2.613 1.00 1.00 H new ATOM 952 N GLN A 61 7.679 1.568 0.139 1.00 1.00 N ATOM 953 CA GLN A 61 8.644 1.400 -0.954 1.00 1.00 C ATOM 954 C GLN A 61 9.657 0.276 -0.636 1.00 1.00 C ATOM 955 O GLN A 61 10.775 0.484 -0.169 1.00 1.00 O ATOM 956 CB GLN A 61 9.298 2.755 -1.331 1.00 1.00 C ATOM 957 CG GLN A 61 8.335 3.760 -2.011 1.00 1.00 C ATOM 958 CD GLN A 61 7.557 3.157 -3.187 1.00 1.00 C ATOM 959 OE1 GLN A 61 8.030 2.308 -3.927 1.00 1.00 O ATOM 960 NE2 GLN A 61 6.318 3.503 -3.408 1.00 1.00 N ATOM 0 H GLN A 61 8.141 1.537 1.048 1.00 1.00 H new ATOM 0 HA GLN A 61 8.114 1.070 -1.848 1.00 1.00 H new ATOM 0 HB2 GLN A 61 9.704 3.213 -0.429 1.00 1.00 H new ATOM 0 HB3 GLN A 61 10.138 2.566 -1.999 1.00 1.00 H new ATOM 0 HG2 GLN A 61 7.628 4.133 -1.270 1.00 1.00 H new ATOM 0 HG3 GLN A 61 8.907 4.618 -2.365 1.00 1.00 H new ATOM 0 HE21 GLN A 61 5.873 4.208 -2.820 1.00 1.00 H new ATOM 0 HE22 GLN A 61 5.795 3.069 -4.169 1.00 1.00 H new ATOM 969 N ILE A 62 9.205 -0.953 -0.864 1.00 1.00 N ATOM 970 CA ILE A 62 9.950 -2.237 -0.817 1.00 1.00 C ATOM 971 C ILE A 62 10.139 -2.901 -2.203 1.00 1.00 C ATOM 972 O ILE A 62 9.355 -2.732 -3.143 1.00 1.00 O ATOM 973 CB ILE A 62 9.313 -3.180 0.243 1.00 1.00 C ATOM 974 CG1 ILE A 62 9.735 -2.698 1.656 1.00 1.00 C ATOM 975 CG2 ILE A 62 9.678 -4.676 0.084 1.00 1.00 C ATOM 976 CD1 ILE A 62 8.761 -3.095 2.761 1.00 1.00 C ATOM 0 H ILE A 62 8.226 -1.105 -1.108 1.00 1.00 H new ATOM 0 HA ILE A 62 10.969 -2.017 -0.500 1.00 1.00 H new ATOM 0 HB ILE A 62 8.235 -3.122 0.094 1.00 1.00 H new ATOM 0 HG12 ILE A 62 10.719 -3.105 1.889 1.00 1.00 H new ATOM 0 HG13 ILE A 62 9.833 -1.613 1.645 1.00 1.00 H new ATOM 0 HG21 ILE A 62 9.188 -5.255 0.867 1.00 1.00 H new ATOM 0 HG22 ILE A 62 9.345 -5.030 -0.892 1.00 1.00 H new ATOM 0 HG23 ILE A 62 10.758 -4.798 0.165 1.00 1.00 H new ATOM 0 HD11 ILE A 62 9.125 -2.722 3.718 1.00 1.00 H new ATOM 0 HD12 ILE A 62 7.781 -2.666 2.553 1.00 1.00 H new ATOM 0 HD13 ILE A 62 8.680 -4.181 2.802 1.00 1.00 H new ATOM 988 N PHE A 63 11.230 -3.665 -2.319 1.00 1.00 N ATOM 989 CA PHE A 63 11.620 -4.502 -3.457 1.00 1.00 C ATOM 990 C PHE A 63 11.845 -5.952 -2.972 1.00 1.00 C ATOM 991 O PHE A 63 12.766 -6.202 -2.197 1.00 1.00 O ATOM 992 CB PHE A 63 12.891 -3.914 -4.121 1.00 1.00 C ATOM 993 CG PHE A 63 12.725 -2.630 -4.945 1.00 1.00 C ATOM 994 CD1 PHE A 63 12.246 -1.435 -4.348 1.00 1.00 C ATOM 995 CD2 PHE A 63 13.157 -2.580 -6.292 1.00 1.00 C ATOM 996 CE1 PHE A 63 12.165 -0.232 -5.081 1.00 1.00 C ATOM 997 CE2 PHE A 63 13.081 -1.375 -7.027 1.00 1.00 C ATOM 998 CZ PHE A 63 12.580 -0.202 -6.425 1.00 1.00 C ATOM 0 H PHE A 63 11.914 -3.718 -1.564 1.00 1.00 H new ATOM 0 HA PHE A 63 10.828 -4.516 -4.206 1.00 1.00 H new ATOM 0 HB2 PHE A 63 13.622 -3.719 -3.336 1.00 1.00 H new ATOM 0 HB3 PHE A 63 13.317 -4.679 -4.770 1.00 1.00 H new ATOM 0 HD1 PHE A 63 11.938 -1.447 -3.313 1.00 1.00 H new ATOM 0 HD2 PHE A 63 13.548 -3.470 -6.762 1.00 1.00 H new ATOM 0 HE1 PHE A 63 11.785 0.663 -4.612 1.00 1.00 H new ATOM 0 HE2 PHE A 63 13.409 -1.352 -8.056 1.00 1.00 H new ATOM 0 HZ PHE A 63 12.515 0.714 -6.993 1.00 1.00 H new ATOM 1008 N VAL A 64 11.000 -6.903 -3.392 1.00 1.00 N ATOM 1009 CA VAL A 64 11.113 -8.357 -3.107 1.00 1.00 C ATOM 1010 C VAL A 64 11.536 -9.091 -4.391 1.00 1.00 C ATOM 1011 O VAL A 64 10.901 -8.966 -5.443 1.00 1.00 O ATOM 1012 CB VAL A 64 9.826 -9.003 -2.552 1.00 1.00 C ATOM 1013 CG1 VAL A 64 10.094 -10.436 -2.060 1.00 1.00 C ATOM 1014 CG2 VAL A 64 9.185 -8.212 -1.405 1.00 1.00 C ATOM 0 H VAL A 64 10.184 -6.682 -3.963 1.00 1.00 H new ATOM 0 HA VAL A 64 11.862 -8.455 -2.321 1.00 1.00 H new ATOM 0 HB VAL A 64 9.128 -9.007 -3.389 1.00 1.00 H new ATOM 0 HG11 VAL A 64 9.170 -10.867 -1.674 1.00 1.00 H new ATOM 0 HG12 VAL A 64 10.459 -11.043 -2.889 1.00 1.00 H new ATOM 0 HG13 VAL A 64 10.843 -10.415 -1.268 1.00 1.00 H new ATOM 0 HG21 VAL A 64 8.286 -8.726 -1.066 1.00 1.00 H new ATOM 0 HG22 VAL A 64 9.891 -8.133 -0.578 1.00 1.00 H new ATOM 0 HG23 VAL A 64 8.922 -7.213 -1.754 1.00 1.00 H new ATOM 1024 N ASP A 65 12.594 -9.887 -4.270 1.00 1.00 N ATOM 1025 CA ASP A 65 13.379 -10.607 -5.275 1.00 1.00 C ATOM 1026 C ASP A 65 13.896 -9.619 -6.352 1.00 1.00 C ATOM 1027 O ASP A 65 13.498 -9.622 -7.515 1.00 1.00 O ATOM 1028 CB ASP A 65 12.573 -11.817 -5.784 1.00 1.00 C ATOM 1029 CG ASP A 65 12.838 -13.130 -5.031 1.00 1.00 C ATOM 1030 OD1 ASP A 65 13.753 -13.224 -4.177 1.00 1.00 O ATOM 1031 OD2 ASP A 65 12.072 -14.098 -5.259 1.00 1.00 O ATOM 0 H ASP A 65 12.973 -10.067 -3.340 1.00 1.00 H new ATOM 0 HA ASP A 65 14.287 -11.037 -4.851 1.00 1.00 H new ATOM 0 HB2 ASP A 65 11.511 -11.583 -5.715 1.00 1.00 H new ATOM 0 HB3 ASP A 65 12.798 -11.968 -6.840 1.00 1.00 H new ATOM 1036 N GLN A 66 14.785 -8.716 -5.908 1.00 1.00 N ATOM 1037 CA GLN A 66 15.486 -7.656 -6.671 1.00 1.00 C ATOM 1038 C GLN A 66 14.592 -6.628 -7.428 1.00 1.00 C ATOM 1039 O GLN A 66 15.120 -5.668 -7.996 1.00 1.00 O ATOM 1040 CB GLN A 66 16.488 -8.392 -7.600 1.00 1.00 C ATOM 1041 CG GLN A 66 17.505 -7.549 -8.391 1.00 1.00 C ATOM 1042 CD GLN A 66 18.330 -8.440 -9.316 1.00 1.00 C ATOM 1043 OE1 GLN A 66 19.505 -8.701 -9.109 1.00 1.00 O ATOM 1044 NE2 GLN A 66 17.758 -8.984 -10.360 1.00 1.00 N ATOM 0 H GLN A 66 15.059 -8.703 -4.925 1.00 1.00 H new ATOM 0 HA GLN A 66 15.985 -6.996 -5.962 1.00 1.00 H new ATOM 0 HB2 GLN A 66 17.047 -9.101 -6.990 1.00 1.00 H new ATOM 0 HB3 GLN A 66 15.910 -8.975 -8.317 1.00 1.00 H new ATOM 0 HG2 GLN A 66 16.983 -6.792 -8.976 1.00 1.00 H new ATOM 0 HG3 GLN A 66 18.164 -7.021 -7.702 1.00 1.00 H new ATOM 0 HE21 GLN A 66 16.778 -8.789 -10.564 1.00 1.00 H new ATOM 0 HE22 GLN A 66 18.292 -9.603 -10.969 1.00 1.00 H new ATOM 1053 N GLN A 67 13.259 -6.689 -7.315 1.00 1.00 N ATOM 1054 CA GLN A 67 12.270 -5.812 -7.986 1.00 1.00 C ATOM 1055 C GLN A 67 11.107 -5.366 -7.068 1.00 1.00 C ATOM 1056 O GLN A 67 10.837 -5.979 -6.035 1.00 1.00 O ATOM 1057 CB GLN A 67 11.800 -6.463 -9.313 1.00 1.00 C ATOM 1058 CG GLN A 67 10.937 -7.737 -9.202 1.00 1.00 C ATOM 1059 CD GLN A 67 9.507 -7.463 -8.751 1.00 1.00 C ATOM 1060 OE1 GLN A 67 9.109 -7.886 -7.583 1.00 1.00 O flip ATOM 1061 NE2 GLN A 67 8.714 -6.819 -9.418 1.00 1.00 N flip ATOM 0 H GLN A 67 12.809 -7.387 -6.722 1.00 1.00 H new ATOM 0 HA GLN A 67 12.772 -4.876 -8.232 1.00 1.00 H new ATOM 0 HB2 GLN A 67 11.234 -5.719 -9.874 1.00 1.00 H new ATOM 0 HB3 GLN A 67 12.684 -6.703 -9.904 1.00 1.00 H new ATOM 0 HG2 GLN A 67 10.915 -8.237 -10.170 1.00 1.00 H new ATOM 0 HG3 GLN A 67 11.406 -8.425 -8.498 1.00 1.00 H new ATOM 0 HE21 GLN A 67 8.986 -6.470 -10.337 1.00 1.00 H new ATOM 0 HE22 GLN A 67 7.779 -6.630 -9.057 1.00 1.00 H new ATOM 1070 N HIS A 68 10.407 -4.281 -7.420 1.00 1.00 N ATOM 1071 CA HIS A 68 9.375 -3.615 -6.593 1.00 1.00 C ATOM 1072 C HIS A 68 8.144 -4.474 -6.225 1.00 1.00 C ATOM 1073 O HIS A 68 7.418 -4.950 -7.093 1.00 1.00 O ATOM 1074 CB HIS A 68 8.919 -2.313 -7.278 1.00 1.00 C ATOM 1075 CG HIS A 68 7.928 -1.489 -6.471 1.00 1.00 C ATOM 1076 ND1 HIS A 68 6.550 -1.652 -6.428 1.00 1.00 N ATOM 1077 CD2 HIS A 68 8.243 -0.425 -5.673 1.00 1.00 C ATOM 1078 CE1 HIS A 68 6.046 -0.700 -5.613 1.00 1.00 C ATOM 1079 NE2 HIS A 68 7.061 0.049 -5.142 1.00 1.00 N ATOM 0 H HIS A 68 10.543 -3.820 -8.320 1.00 1.00 H new ATOM 0 HA HIS A 68 9.867 -3.416 -5.641 1.00 1.00 H new ATOM 0 HB2 HIS A 68 9.796 -1.701 -7.487 1.00 1.00 H new ATOM 0 HB3 HIS A 68 8.468 -2.562 -8.239 1.00 1.00 H new ATOM 0 HD2 HIS A 68 9.232 -0.030 -5.492 1.00 1.00 H new ATOM 0 HE1 HIS A 68 5.001 -0.562 -5.378 1.00 1.00 H new ATOM 0 HE2 HIS A 68 6.971 0.836 -4.499 1.00 1.00 H new ATOM 1088 N ILE A 69 7.866 -4.557 -4.923 1.00 1.00 N ATOM 1089 CA ILE A 69 6.686 -5.132 -4.243 1.00 1.00 C ATOM 1090 C ILE A 69 6.414 -4.154 -3.094 1.00 1.00 C ATOM 1091 O ILE A 69 7.089 -4.221 -2.065 1.00 1.00 O ATOM 1092 CB ILE A 69 6.879 -6.573 -3.709 1.00 1.00 C ATOM 1093 CG1 ILE A 69 7.206 -7.639 -4.773 1.00 1.00 C ATOM 1094 CG2 ILE A 69 5.641 -7.020 -2.901 1.00 1.00 C ATOM 1095 CD1 ILE A 69 6.187 -7.812 -5.910 1.00 1.00 C ATOM 0 H ILE A 69 8.527 -4.186 -4.240 1.00 1.00 H new ATOM 0 HA ILE A 69 5.860 -5.239 -4.946 1.00 1.00 H new ATOM 0 HB ILE A 69 7.763 -6.510 -3.075 1.00 1.00 H new ATOM 0 HG12 ILE A 69 8.172 -7.394 -5.215 1.00 1.00 H new ATOM 0 HG13 ILE A 69 7.321 -8.599 -4.269 1.00 1.00 H new ATOM 0 HG21 ILE A 69 5.793 -8.035 -2.533 1.00 1.00 H new ATOM 0 HG22 ILE A 69 5.495 -6.346 -2.057 1.00 1.00 H new ATOM 0 HG23 ILE A 69 4.760 -6.995 -3.542 1.00 1.00 H new ATOM 0 HD11 ILE A 69 6.531 -8.590 -6.592 1.00 1.00 H new ATOM 0 HD12 ILE A 69 5.221 -8.096 -5.493 1.00 1.00 H new ATOM 0 HD13 ILE A 69 6.085 -6.873 -6.453 1.00 1.00 H new ATOM 1107 N GLY A 70 5.481 -3.222 -3.306 1.00 1.00 N ATOM 1108 CA GLY A 70 5.118 -2.060 -2.471 1.00 1.00 C ATOM 1109 C GLY A 70 5.632 -2.033 -1.027 1.00 1.00 C ATOM 1110 O GLY A 70 6.339 -1.107 -0.636 1.00 1.00 O ATOM 0 H GLY A 70 4.902 -3.260 -4.145 1.00 1.00 H new ATOM 0 HA2 GLY A 70 5.478 -1.161 -2.972 1.00 1.00 H new ATOM 0 HA3 GLY A 70 4.030 -1.995 -2.441 1.00 1.00 H new ATOM 1114 N GLY A 71 5.275 -3.041 -0.233 1.00 1.00 N ATOM 1115 CA GLY A 71 5.510 -3.137 1.209 1.00 1.00 C ATOM 1116 C GLY A 71 4.244 -3.583 1.910 1.00 1.00 C ATOM 1117 O GLY A 71 3.466 -4.312 1.314 1.00 1.00 O ATOM 0 H GLY A 71 4.787 -3.859 -0.598 1.00 1.00 H new ATOM 0 HA2 GLY A 71 6.315 -3.844 1.409 1.00 1.00 H new ATOM 0 HA3 GLY A 71 5.831 -2.171 1.599 1.00 1.00 H new ATOM 1121 N TYR A 72 4.017 -3.135 3.144 1.00 1.00 N ATOM 1122 CA TYR A 72 2.934 -3.537 4.070 1.00 1.00 C ATOM 1123 C TYR A 72 1.612 -3.870 3.313 1.00 1.00 C ATOM 1124 O TYR A 72 1.118 -4.983 3.435 1.00 1.00 O ATOM 1125 CB TYR A 72 2.865 -2.423 5.135 1.00 1.00 C ATOM 1126 CG TYR A 72 1.987 -2.560 6.358 1.00 1.00 C ATOM 1127 CD1 TYR A 72 1.447 -3.812 6.725 1.00 1.00 C ATOM 1128 CD2 TYR A 72 2.050 -1.514 7.311 1.00 1.00 C ATOM 1129 CE1 TYR A 72 1.149 -4.072 8.078 1.00 1.00 C ATOM 1130 CE2 TYR A 72 1.684 -1.757 8.653 1.00 1.00 C ATOM 1131 CZ TYR A 72 1.319 -3.063 9.052 1.00 1.00 C ATOM 1132 OH TYR A 72 1.026 -3.338 10.347 1.00 1.00 O ATOM 0 H TYR A 72 4.624 -2.430 3.563 1.00 1.00 H new ATOM 0 HA TYR A 72 3.129 -4.481 4.579 1.00 1.00 H new ATOM 0 HB2 TYR A 72 3.882 -2.260 5.491 1.00 1.00 H new ATOM 0 HB3 TYR A 72 2.556 -1.512 4.622 1.00 1.00 H new ATOM 0 HD1 TYR A 72 1.263 -4.566 5.974 1.00 1.00 H new ATOM 0 HD2 TYR A 72 2.378 -0.530 7.011 1.00 1.00 H new ATOM 0 HE1 TYR A 72 0.789 -5.047 8.371 1.00 1.00 H new ATOM 0 HE2 TYR A 72 1.683 -0.950 9.370 1.00 1.00 H new ATOM 0 HH TYR A 72 1.825 -3.684 10.797 1.00 1.00 H new ATOM 1142 N THR A 73 1.152 -2.984 2.418 1.00 1.00 N ATOM 1143 CA THR A 73 0.033 -3.136 1.442 1.00 1.00 C ATOM 1144 C THR A 73 0.127 -4.370 0.515 1.00 1.00 C ATOM 1145 O THR A 73 -0.799 -5.177 0.450 1.00 1.00 O ATOM 1146 CB THR A 73 -0.113 -1.855 0.573 1.00 1.00 C ATOM 1147 OG1 THR A 73 -0.813 -2.062 -0.640 1.00 1.00 O ATOM 1148 CG2 THR A 73 1.203 -1.212 0.116 1.00 1.00 C ATOM 0 H THR A 73 1.580 -2.061 2.342 1.00 1.00 H new ATOM 0 HA THR A 73 -0.849 -3.293 2.063 1.00 1.00 H new ATOM 0 HB THR A 73 -0.648 -1.210 1.270 1.00 1.00 H new ATOM 0 HG1 THR A 73 -0.382 -1.552 -1.358 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.987 -0.327 -0.483 1.00 1.00 H new ATOM 0 HG22 THR A 73 1.790 -0.925 0.988 1.00 1.00 H new ATOM 0 HG23 THR A 73 1.768 -1.926 -0.483 1.00 1.00 H new ATOM 1156 N ASP A 74 1.195 -4.464 -0.285 1.00 1.00 N ATOM 1157 CA ASP A 74 1.503 -5.550 -1.232 1.00 1.00 C ATOM 1158 C ASP A 74 1.841 -6.865 -0.492 1.00 1.00 C ATOM 1159 O ASP A 74 1.248 -7.898 -0.790 1.00 1.00 O ATOM 1160 CB ASP A 74 2.668 -5.121 -2.173 1.00 1.00 C ATOM 1161 CG ASP A 74 2.381 -5.088 -3.686 1.00 1.00 C ATOM 1162 OD1 ASP A 74 1.288 -5.487 -4.135 1.00 1.00 O ATOM 1163 OD2 ASP A 74 3.272 -4.643 -4.451 1.00 1.00 O ATOM 0 H ASP A 74 1.914 -3.741 -0.291 1.00 1.00 H new ATOM 0 HA ASP A 74 0.617 -5.740 -1.837 1.00 1.00 H new ATOM 0 HB2 ASP A 74 2.997 -4.127 -1.871 1.00 1.00 H new ATOM 0 HB3 ASP A 74 3.505 -5.798 -2.004 1.00 1.00 H new ATOM 1168 N PHE A 75 2.771 -6.817 0.473 1.00 1.00 N ATOM 1169 CA PHE A 75 3.147 -7.895 1.405 1.00 1.00 C ATOM 1170 C PHE A 75 1.954 -8.547 2.131 1.00 1.00 C ATOM 1171 O PHE A 75 1.801 -9.766 2.042 1.00 1.00 O ATOM 1172 CB PHE A 75 4.233 -7.424 2.419 1.00 1.00 C ATOM 1173 CG PHE A 75 5.629 -8.021 2.291 1.00 1.00 C ATOM 1174 CD1 PHE A 75 5.880 -9.263 1.653 1.00 1.00 C ATOM 1175 CD2 PHE A 75 6.717 -7.284 2.815 1.00 1.00 C ATOM 1176 CE1 PHE A 75 7.202 -9.704 1.451 1.00 1.00 C ATOM 1177 CE2 PHE A 75 8.037 -7.733 2.631 1.00 1.00 C ATOM 1178 CZ PHE A 75 8.278 -8.929 1.924 1.00 1.00 C ATOM 0 H PHE A 75 3.317 -5.971 0.635 1.00 1.00 H new ATOM 0 HA PHE A 75 3.573 -8.678 0.778 1.00 1.00 H new ATOM 0 HB2 PHE A 75 4.323 -6.341 2.335 1.00 1.00 H new ATOM 0 HB3 PHE A 75 3.868 -7.637 3.424 1.00 1.00 H new ATOM 0 HD1 PHE A 75 5.053 -9.873 1.321 1.00 1.00 H new ATOM 0 HD2 PHE A 75 6.533 -6.370 3.360 1.00 1.00 H new ATOM 0 HE1 PHE A 75 7.390 -10.634 0.935 1.00 1.00 H new ATOM 0 HE2 PHE A 75 8.863 -7.164 3.030 1.00 1.00 H new ATOM 0 HZ PHE A 75 9.293 -9.252 1.744 1.00 1.00 H new ATOM 1188 N ALA A 76 1.103 -7.773 2.822 1.00 1.00 N ATOM 1189 CA ALA A 76 -0.117 -8.268 3.476 1.00 1.00 C ATOM 1190 C ALA A 76 -1.046 -9.014 2.493 1.00 1.00 C ATOM 1191 O ALA A 76 -1.409 -10.161 2.777 1.00 1.00 O ATOM 1192 CB ALA A 76 -0.843 -7.120 4.201 1.00 1.00 C ATOM 0 H ALA A 76 1.246 -6.770 2.944 1.00 1.00 H new ATOM 0 HA ALA A 76 0.181 -9.003 4.224 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -1.744 -7.504 4.680 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.184 -6.693 4.957 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -1.116 -6.349 3.480 1.00 1.00 H new ATOM 1198 N ALA A 77 -1.349 -8.423 1.322 1.00 1.00 N ATOM 1199 CA ALA A 77 -2.106 -9.066 0.240 1.00 1.00 C ATOM 1200 C ALA A 77 -1.420 -10.341 -0.320 1.00 1.00 C ATOM 1201 O ALA A 77 -2.069 -11.371 -0.435 1.00 1.00 O ATOM 1202 CB ALA A 77 -2.349 -8.000 -0.850 1.00 1.00 C ATOM 0 H ALA A 77 -1.068 -7.468 1.101 1.00 1.00 H new ATOM 0 HA ALA A 77 -3.056 -9.430 0.632 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -2.911 -8.442 -1.673 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -2.917 -7.171 -0.428 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -1.392 -7.633 -1.220 1.00 1.00 H new ATOM 1208 N TRP A 78 -0.094 -10.342 -0.516 1.00 1.00 N ATOM 1209 CA TRP A 78 0.743 -11.477 -0.962 1.00 1.00 C ATOM 1210 C TRP A 78 0.691 -12.676 0.010 1.00 1.00 C ATOM 1211 O TRP A 78 0.405 -13.805 -0.404 1.00 1.00 O ATOM 1212 CB TRP A 78 2.181 -10.981 -1.236 1.00 1.00 C ATOM 1213 CG TRP A 78 3.101 -11.909 -1.981 1.00 1.00 C ATOM 1214 CD1 TRP A 78 3.420 -11.803 -3.293 1.00 1.00 C ATOM 1215 CD2 TRP A 78 3.848 -13.062 -1.485 1.00 1.00 C ATOM 1216 NE1 TRP A 78 4.317 -12.796 -3.644 1.00 1.00 N ATOM 1217 CE2 TRP A 78 4.611 -13.605 -2.569 1.00 1.00 C ATOM 1218 CE3 TRP A 78 3.943 -13.724 -0.234 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 5.404 -14.760 -2.426 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 4.706 -14.902 -0.094 1.00 1.00 C ATOM 1221 CH2 TRP A 78 5.436 -15.421 -1.181 1.00 1.00 C ATOM 0 H TRP A 78 0.462 -9.501 -0.359 1.00 1.00 H new ATOM 0 HA TRP A 78 0.333 -11.863 -1.895 1.00 1.00 H new ATOM 0 HB2 TRP A 78 2.115 -10.049 -1.797 1.00 1.00 H new ATOM 0 HB3 TRP A 78 2.644 -10.744 -0.278 1.00 1.00 H new ATOM 0 HD1 TRP A 78 3.031 -11.053 -3.966 1.00 1.00 H new ATOM 0 HE1 TRP A 78 4.710 -12.914 -4.578 1.00 1.00 H new ATOM 0 HE3 TRP A 78 3.424 -13.321 0.623 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 5.980 -15.135 -3.259 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 4.731 -15.412 0.858 1.00 1.00 H new ATOM 0 HH2 TRP A 78 6.018 -16.323 -1.061 1.00 1.00 H new ATOM 1232 N VAL A 79 0.962 -12.438 1.304 1.00 1.00 N ATOM 1233 CA VAL A 79 0.811 -13.399 2.429 1.00 1.00 C ATOM 1234 C VAL A 79 -0.630 -13.936 2.511 1.00 1.00 C ATOM 1235 O VAL A 79 -0.824 -15.153 2.529 1.00 1.00 O ATOM 1236 CB VAL A 79 1.237 -12.773 3.785 1.00 1.00 C ATOM 1237 CG1 VAL A 79 0.941 -13.686 4.991 1.00 1.00 C ATOM 1238 CG2 VAL A 79 2.741 -12.443 3.816 1.00 1.00 C ATOM 0 H VAL A 79 1.309 -11.531 1.617 1.00 1.00 H new ATOM 0 HA VAL A 79 1.480 -14.236 2.226 1.00 1.00 H new ATOM 0 HB VAL A 79 0.643 -11.863 3.867 1.00 1.00 H new ATOM 0 HG11 VAL A 79 1.261 -13.192 5.908 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -0.129 -13.886 5.042 1.00 1.00 H new ATOM 0 HG13 VAL A 79 1.481 -14.626 4.877 1.00 1.00 H new ATOM 0 HG21 VAL A 79 2.998 -12.007 4.781 1.00 1.00 H new ATOM 0 HG22 VAL A 79 3.317 -13.356 3.665 1.00 1.00 H new ATOM 0 HG23 VAL A 79 2.974 -11.732 3.023 1.00 1.00 H new ATOM 1248 N LYS A 80 -1.637 -13.044 2.519 1.00 1.00 N ATOM 1249 CA LYS A 80 -3.086 -13.345 2.524 1.00 1.00 C ATOM 1250 C LYS A 80 -3.513 -14.256 1.361 1.00 1.00 C ATOM 1251 O LYS A 80 -4.030 -15.346 1.587 1.00 1.00 O ATOM 1252 CB LYS A 80 -3.881 -12.019 2.581 1.00 1.00 C ATOM 1253 CG LYS A 80 -5.407 -12.208 2.565 1.00 1.00 C ATOM 1254 CD LYS A 80 -6.219 -10.926 2.777 1.00 1.00 C ATOM 1255 CE LYS A 80 -5.918 -9.746 1.839 1.00 1.00 C ATOM 1256 NZ LYS A 80 -6.429 -9.943 0.463 1.00 1.00 N ATOM 0 H LYS A 80 -1.456 -12.040 2.522 1.00 1.00 H new ATOM 0 HA LYS A 80 -3.318 -13.924 3.418 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -3.601 -11.477 3.484 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -3.593 -11.397 1.734 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -5.694 -12.648 1.610 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -5.678 -12.924 3.341 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -7.276 -11.175 2.680 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -6.063 -10.592 3.803 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -6.357 -8.839 2.255 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -4.840 -9.589 1.799 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -5.629 -10.067 -0.190 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -7.033 -10.789 0.435 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -6.984 -9.112 0.177 1.00 1.00 H new ATOM 1270 N GLU A 81 -3.203 -13.855 0.128 1.00 1.00 N ATOM 1271 CA GLU A 81 -3.377 -14.600 -1.132 1.00 1.00 C ATOM 1272 C GLU A 81 -2.692 -15.998 -1.176 1.00 1.00 C ATOM 1273 O GLU A 81 -2.938 -16.749 -2.127 1.00 1.00 O ATOM 1274 CB GLU A 81 -3.061 -13.690 -2.342 1.00 1.00 C ATOM 1275 CG GLU A 81 -4.224 -12.769 -2.790 1.00 1.00 C ATOM 1276 CD GLU A 81 -4.931 -11.921 -1.708 1.00 1.00 C ATOM 1277 OE1 GLU A 81 -5.815 -12.440 -0.984 1.00 1.00 O ATOM 1278 OE2 GLU A 81 -4.808 -10.676 -1.687 1.00 1.00 O ATOM 0 H GLU A 81 -2.794 -12.935 -0.035 1.00 1.00 H new ATOM 0 HA GLU A 81 -4.431 -14.871 -1.193 1.00 1.00 H new ATOM 0 HB2 GLU A 81 -2.200 -13.069 -2.095 1.00 1.00 H new ATOM 0 HB3 GLU A 81 -2.770 -14.318 -3.184 1.00 1.00 H new ATOM 0 HG2 GLU A 81 -3.839 -12.089 -3.550 1.00 1.00 H new ATOM 0 HG3 GLU A 81 -4.977 -13.392 -3.272 1.00 1.00 H new ATOM 1285 N ASN A 82 -1.793 -16.333 -0.229 1.00 1.00 N ATOM 1286 CA ASN A 82 -1.184 -17.663 -0.005 1.00 1.00 C ATOM 1287 C ASN A 82 -1.893 -18.441 1.139 1.00 1.00 C ATOM 1288 O ASN A 82 -2.396 -19.541 0.914 1.00 1.00 O ATOM 1289 CB ASN A 82 0.322 -17.501 0.347 1.00 1.00 C ATOM 1290 CG ASN A 82 1.262 -17.391 -0.831 1.00 1.00 C ATOM 1291 OD1 ASN A 82 1.607 -18.373 -1.462 1.00 1.00 O ATOM 1292 ND2 ASN A 82 1.777 -16.231 -1.126 1.00 1.00 N ATOM 0 H ASN A 82 -1.451 -15.643 0.440 1.00 1.00 H new ATOM 0 HA ASN A 82 -1.299 -18.234 -0.926 1.00 1.00 H new ATOM 0 HB2 ASN A 82 0.438 -16.611 0.965 1.00 1.00 H new ATOM 0 HB3 ASN A 82 0.628 -18.353 0.954 1.00 1.00 H new ATOM 0 HD21 ASN A 82 2.461 -16.153 -1.878 1.00 1.00 H new ATOM 0 HD22 ASN A 82 1.496 -15.401 -0.604 1.00 1.00 H new ATOM 1299 N LEU A 83 -1.908 -17.893 2.363 1.00 1.00 N ATOM 1300 CA LEU A 83 -2.381 -18.521 3.610 1.00 1.00 C ATOM 1301 C LEU A 83 -3.920 -18.528 3.749 1.00 1.00 C ATOM 1302 O LEU A 83 -4.552 -19.585 3.781 1.00 1.00 O ATOM 1303 CB LEU A 83 -1.676 -17.829 4.809 1.00 1.00 C ATOM 1304 CG LEU A 83 -0.129 -17.748 4.751 1.00 1.00 C ATOM 1305 CD1 LEU A 83 0.451 -17.269 6.087 1.00 1.00 C ATOM 1306 CD2 LEU A 83 0.515 -19.081 4.377 1.00 1.00 C ATOM 0 H LEU A 83 -1.571 -16.943 2.520 1.00 1.00 H new ATOM 0 HA LEU A 83 -2.111 -19.577 3.591 1.00 1.00 H new ATOM 0 HB2 LEU A 83 -2.067 -16.815 4.896 1.00 1.00 H new ATOM 0 HB3 LEU A 83 -1.956 -18.358 5.720 1.00 1.00 H new ATOM 0 HG LEU A 83 0.104 -17.026 3.969 1.00 1.00 H new ATOM 0 HD11 LEU A 83 1.538 -17.222 6.016 1.00 1.00 H new ATOM 0 HD12 LEU A 83 0.059 -16.279 6.319 1.00 1.00 H new ATOM 0 HD13 LEU A 83 0.169 -17.965 6.877 1.00 1.00 H new ATOM 0 HD21 LEU A 83 1.599 -18.967 4.351 1.00 1.00 H new ATOM 0 HD22 LEU A 83 0.247 -19.835 5.117 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.160 -19.394 3.395 1.00 1.00 H new ATOM 1318 N ASP A 84 -4.522 -17.341 3.810 1.00 1.00 N ATOM 1319 CA ASP A 84 -5.964 -17.034 3.866 1.00 1.00 C ATOM 1320 C ASP A 84 -6.739 -17.288 2.537 1.00 1.00 C ATOM 1321 O ASP A 84 -7.951 -17.053 2.477 1.00 1.00 O ATOM 1322 CB ASP A 84 -6.116 -15.556 4.284 1.00 1.00 C ATOM 1323 CG ASP A 84 -5.277 -15.128 5.501 1.00 1.00 C ATOM 1324 OD1 ASP A 84 -4.034 -15.022 5.401 1.00 1.00 O ATOM 1325 OD2 ASP A 84 -5.846 -14.874 6.588 1.00 1.00 O ATOM 0 H ASP A 84 -3.967 -16.485 3.823 1.00 1.00 H new ATOM 0 HA ASP A 84 -6.409 -17.718 4.588 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -5.845 -14.926 3.437 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -7.167 -15.363 4.501 1.00 1.00 H new ATOM 1330 N ALA A 85 -6.049 -17.766 1.487 1.00 1.00 N ATOM 1331 CA ALA A 85 -6.468 -17.968 0.088 1.00 1.00 C ATOM 1332 C ALA A 85 -7.753 -18.818 -0.059 1.00 1.00 C ATOM 1333 O ALA A 85 -7.740 -20.010 0.307 1.00 1.00 O ATOM 1334 CB ALA A 85 -5.253 -18.543 -0.675 1.00 1.00 C ATOM 1335 OXT ALA A 85 -8.794 -18.250 -0.474 1.00 1.00 O ATOM 0 H ALA A 85 -5.078 -18.052 1.611 1.00 1.00 H new ATOM 0 HA ALA A 85 -6.760 -17.014 -0.350 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -5.523 -18.707 -1.718 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -4.423 -17.838 -0.622 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -4.955 -19.489 -0.224 1.00 1.00 H new ATOM 1577 N GLU B 144 -1.675 2.195 0.348 1.00 1.00 N ATOM 1578 CA GLU B 144 -0.320 2.774 0.155 1.00 1.00 C ATOM 1579 C GLU B 144 -0.351 4.308 0.315 1.00 1.00 C ATOM 1580 O GLU B 144 -0.465 5.063 -0.658 1.00 1.00 O ATOM 1581 CB GLU B 144 0.426 2.332 -1.136 1.00 1.00 C ATOM 1582 CG GLU B 144 -0.354 1.566 -2.214 1.00 1.00 C ATOM 1583 CD GLU B 144 0.529 1.383 -3.456 1.00 1.00 C ATOM 1584 OE1 GLU B 144 1.469 0.552 -3.455 1.00 1.00 O ATOM 1585 OE2 GLU B 144 0.297 2.078 -4.473 1.00 1.00 O ATOM 0 HA GLU B 144 0.285 2.345 0.954 1.00 1.00 H new ATOM 0 HB2 GLU B 144 0.840 3.227 -1.601 1.00 1.00 H new ATOM 0 HB3 GLU B 144 1.269 1.711 -0.834 1.00 1.00 H new ATOM 0 HG2 GLU B 144 -0.666 0.594 -1.830 1.00 1.00 H new ATOM 0 HG3 GLU B 144 -1.261 2.111 -2.477 1.00 1.00 H new ATOM 1592 N SER B 145 -0.224 4.758 1.566 1.00 1.00 N ATOM 1593 CA SER B 145 -0.107 6.164 1.983 1.00 1.00 C ATOM 1594 C SER B 145 0.977 6.385 3.052 1.00 1.00 C ATOM 1595 O SER B 145 1.289 5.498 3.849 1.00 1.00 O ATOM 1596 CB SER B 145 -1.465 6.624 2.537 1.00 1.00 C ATOM 1597 OG SER B 145 -1.601 8.030 2.490 1.00 1.00 O ATOM 0 H SER B 145 -0.198 4.119 2.361 1.00 1.00 H new ATOM 0 HA SER B 145 0.186 6.745 1.108 1.00 1.00 H new ATOM 0 HB2 SER B 145 -2.268 6.162 1.962 1.00 1.00 H new ATOM 0 HB3 SER B 145 -1.572 6.282 3.567 1.00 1.00 H new ATOM 0 HG SER B 145 -2.476 8.286 2.848 1.00 1.00 H new ATOM 1603 N GLY B 146 1.562 7.584 3.057 1.00 1.00 N ATOM 1604 CA GLY B 146 2.488 8.100 4.083 1.00 1.00 C ATOM 1605 C GLY B 146 3.374 9.295 3.694 1.00 1.00 C ATOM 1606 O GLY B 146 4.139 9.748 4.543 1.00 1.00 O ATOM 0 H GLY B 146 1.399 8.260 2.311 1.00 1.00 H new ATOM 0 HA2 GLY B 146 1.900 8.385 4.955 1.00 1.00 H new ATOM 0 HA3 GLY B 146 3.140 7.283 4.391 1.00 1.00 H new ATOM 1610 N ALA B 147 3.340 9.767 2.434 1.00 1.00 N ATOM 1611 CA ALA B 147 3.997 10.991 1.885 1.00 1.00 C ATOM 1612 C ALA B 147 5.544 11.114 2.123 1.00 1.00 C ATOM 1613 O ALA B 147 6.158 12.186 2.059 1.00 1.00 O ATOM 1614 CB ALA B 147 3.235 12.221 2.419 1.00 1.00 C ATOM 0 H ALA B 147 2.816 9.274 1.711 1.00 1.00 H new ATOM 0 HA ALA B 147 3.932 10.920 0.799 1.00 1.00 H new ATOM 0 HB1 ALA B 147 3.695 13.130 2.032 1.00 1.00 H new ATOM 0 HB2 ALA B 147 2.196 12.174 2.094 1.00 1.00 H new ATOM 0 HB3 ALA B 147 3.275 12.229 3.508 1.00 1.00 H new ATOM 1620 N CYS B 148 6.157 9.973 2.438 1.00 1.00 N ATOM 1621 CA CYS B 148 7.519 9.677 2.887 1.00 1.00 C ATOM 1622 C CYS B 148 8.558 9.657 1.745 1.00 1.00 C ATOM 1623 O CYS B 148 8.552 8.759 0.898 1.00 1.00 O ATOM 1624 CB CYS B 148 7.375 8.335 3.607 1.00 1.00 C ATOM 1625 SG CYS B 148 8.616 7.750 4.766 1.00 1.00 S ATOM 0 H CYS B 148 5.627 9.104 2.374 1.00 1.00 H new ATOM 0 HA CYS B 148 7.917 10.455 3.538 1.00 1.00 H new ATOM 0 HB2 CYS B 148 6.428 8.366 4.146 1.00 1.00 H new ATOM 0 HB3 CYS B 148 7.278 7.571 2.836 1.00 1.00 H new ATOM 1630 N LYS B 149 9.479 10.632 1.768 1.00 1.00 N ATOM 1631 CA LYS B 149 10.502 10.990 0.749 1.00 1.00 C ATOM 1632 C LYS B 149 11.324 12.236 1.154 1.00 1.00 C ATOM 1633 O LYS B 149 10.937 12.939 2.090 1.00 1.00 O ATOM 1634 CB LYS B 149 9.822 11.252 -0.623 1.00 1.00 C ATOM 1635 CG LYS B 149 8.719 12.344 -0.640 1.00 1.00 C ATOM 1636 CD LYS B 149 8.564 13.070 -1.993 1.00 1.00 C ATOM 1637 CE LYS B 149 9.692 14.096 -2.210 1.00 1.00 C ATOM 1638 NZ LYS B 149 9.667 14.681 -3.575 1.00 1.00 N ATOM 0 H LYS B 149 9.540 11.255 2.574 1.00 1.00 H new ATOM 0 HA LYS B 149 11.186 10.145 0.676 1.00 1.00 H new ATOM 0 HB2 LYS B 149 10.593 11.532 -1.340 1.00 1.00 H new ATOM 0 HB3 LYS B 149 9.385 10.317 -0.974 1.00 1.00 H new ATOM 0 HG2 LYS B 149 7.766 11.885 -0.376 1.00 1.00 H new ATOM 0 HG3 LYS B 149 8.942 13.081 0.131 1.00 1.00 H new ATOM 0 HD2 LYS B 149 8.572 12.340 -2.803 1.00 1.00 H new ATOM 0 HD3 LYS B 149 7.599 13.575 -2.029 1.00 1.00 H new ATOM 0 HE2 LYS B 149 9.601 14.894 -1.473 1.00 1.00 H new ATOM 0 HE3 LYS B 149 10.655 13.615 -2.041 1.00 1.00 H new ATOM 0 HZ1 LYS B 149 10.151 15.601 -3.567 1.00 1.00 H new ATOM 0 HZ2 LYS B 149 10.151 14.041 -4.236 1.00 1.00 H new ATOM 0 HZ3 LYS B 149 8.681 14.811 -3.879 1.00 1.00 H new ATOM 1652 N ILE B 150 12.449 12.491 0.458 1.00 1.00 N ATOM 1653 CA ILE B 150 13.467 13.559 0.699 1.00 1.00 C ATOM 1654 C ILE B 150 12.936 14.958 1.032 1.00 1.00 C ATOM 1655 O ILE B 150 11.934 15.413 0.442 1.00 1.00 O ATOM 1656 CB ILE B 150 14.499 13.604 -0.461 1.00 1.00 C ATOM 1657 CG1 ILE B 150 15.850 14.256 -0.082 1.00 1.00 C ATOM 1658 CG2 ILE B 150 13.939 14.346 -1.695 1.00 1.00 C ATOM 1659 CD1 ILE B 150 16.561 13.638 1.128 1.00 1.00 C ATOM 1660 OXT ILE B 150 13.529 15.593 1.930 1.00 1.00 O ATOM 0 H ILE B 150 12.698 11.920 -0.349 1.00 1.00 H new ATOM 0 HA ILE B 150 13.954 13.254 1.625 1.00 1.00 H new ATOM 0 HB ILE B 150 14.684 12.555 -0.693 1.00 1.00 H new ATOM 0 HG12 ILE B 150 16.516 14.198 -0.943 1.00 1.00 H new ATOM 0 HG13 ILE B 150 15.680 15.314 0.119 1.00 1.00 H new ATOM 0 HG21 ILE B 150 14.690 14.357 -2.485 1.00 1.00 H new ATOM 0 HG22 ILE B 150 13.044 13.835 -2.052 1.00 1.00 H new ATOM 0 HG23 ILE B 150 13.687 15.370 -1.420 1.00 1.00 H new ATOM 0 HD11 ILE B 150 17.497 14.167 1.309 1.00 1.00 H new ATOM 0 HD12 ILE B 150 15.922 13.720 2.007 1.00 1.00 H new ATOM 0 HD13 ILE B 150 16.771 12.587 0.929 1.00 1.00 H new