USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 678 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 58 ASN : amide:sc= -0.291 K(o=-3.6,f=-4.9!) USER MOD Set 1.2: A 77 SER OG : rot 129:sc= -3.31! USER MOD Set 2.1: A 65 MET CE :methyl -115:sc= -2.03 (180deg=-6!) USER MOD Set 2.2: A 73 LYS NZ :NH3+ 168:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 13:sc= 0.789 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS :FLIP no HE2:sc= -0.109 F(o=-1.5,f=-0.11) USER MOD Single : A 30 THR OG1 : rot -168:sc= -2.51 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.946 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 76:sc= 0.694 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.3 K(o=0.3,f=-4.2!) USER MOD Single : A 67 HIS : no HE2:sc= -0.468 X(o=-0.47,f=-0.24) USER MOD Single : A 71 GLN : amide:sc= -0.945 K(o=-0.94,f=-2.6) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.1) USER MOD Single : A 79 SER OG : rot -170:sc= -2.2! USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.105 29.049 5.767 1.00 0.00 N ATOM 2 CA GLY A 1 -5.715 29.471 5.818 1.00 0.00 C ATOM 3 C GLY A 1 -4.779 28.321 5.444 1.00 0.00 C ATOM 4 O GLY A 1 -4.381 27.535 6.302 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.720 29.847 6.025 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.336 28.731 4.804 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.255 28.267 6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.560 30.307 5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.476 29.828 6.820 1.00 0.00 H new ATOM 8 N SER A 2 -4.453 28.258 4.161 1.00 0.00 N ATOM 9 CA SER A 2 -3.571 27.217 3.663 1.00 0.00 C ATOM 10 C SER A 2 -4.225 25.846 3.844 1.00 0.00 C ATOM 11 O SER A 2 -5.038 25.656 4.747 1.00 0.00 O ATOM 12 CB SER A 2 -2.216 27.257 4.372 1.00 0.00 C ATOM 13 OG SER A 2 -1.155 26.832 3.522 1.00 0.00 O ATOM 0 H SER A 2 -4.784 28.912 3.451 1.00 0.00 H new ATOM 0 HA SER A 2 -3.400 27.393 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.018 28.271 4.719 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.250 26.619 5.255 1.00 0.00 H new ATOM 0 HG SER A 2 -0.307 26.874 4.011 1.00 0.00 H new ATOM 19 N SER A 3 -3.845 24.924 2.971 1.00 0.00 N ATOM 20 CA SER A 3 -4.385 23.576 3.023 1.00 0.00 C ATOM 21 C SER A 3 -3.354 22.623 3.631 1.00 0.00 C ATOM 22 O SER A 3 -2.270 22.442 3.079 1.00 0.00 O ATOM 23 CB SER A 3 -4.798 23.094 1.631 1.00 0.00 C ATOM 24 OG SER A 3 -3.672 22.738 0.834 1.00 0.00 O ATOM 0 H SER A 3 -3.170 25.084 2.224 1.00 0.00 H new ATOM 0 HA SER A 3 -5.275 23.588 3.652 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.461 22.234 1.727 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.364 23.878 1.129 1.00 0.00 H new ATOM 0 HG SER A 3 -2.876 22.673 1.402 1.00 0.00 H new ATOM 30 N GLY A 4 -3.729 22.039 4.760 1.00 0.00 N ATOM 31 CA GLY A 4 -2.850 21.109 5.449 1.00 0.00 C ATOM 32 C GLY A 4 -2.407 19.980 4.516 1.00 0.00 C ATOM 33 O GLY A 4 -3.083 19.681 3.533 1.00 0.00 O ATOM 0 H GLY A 4 -4.629 22.192 5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.975 21.640 5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.364 20.690 6.314 1.00 0.00 H new ATOM 37 N SER A 5 -1.274 19.384 4.858 1.00 0.00 N ATOM 38 CA SER A 5 -0.733 18.294 4.063 1.00 0.00 C ATOM 39 C SER A 5 -1.838 17.290 3.730 1.00 0.00 C ATOM 40 O SER A 5 -2.884 17.276 4.377 1.00 0.00 O ATOM 41 CB SER A 5 0.415 17.597 4.795 1.00 0.00 C ATOM 42 OG SER A 5 -0.010 17.018 6.026 1.00 0.00 O ATOM 0 H SER A 5 -0.716 19.635 5.674 1.00 0.00 H new ATOM 0 HA SER A 5 -0.338 18.710 3.136 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.835 16.821 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.211 18.316 4.988 1.00 0.00 H new ATOM 0 HG SER A 5 0.751 16.581 6.462 1.00 0.00 H new ATOM 48 N SER A 6 -1.568 16.474 2.722 1.00 0.00 N ATOM 49 CA SER A 6 -2.526 15.469 2.296 1.00 0.00 C ATOM 50 C SER A 6 -1.798 14.176 1.924 1.00 0.00 C ATOM 51 O SER A 6 -0.709 14.214 1.353 1.00 0.00 O ATOM 52 CB SER A 6 -3.359 15.968 1.113 1.00 0.00 C ATOM 53 OG SER A 6 -4.203 17.057 1.476 1.00 0.00 O ATOM 0 H SER A 6 -0.699 16.489 2.188 1.00 0.00 H new ATOM 0 HA SER A 6 -3.205 15.271 3.126 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.694 16.278 0.307 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.968 15.150 0.728 1.00 0.00 H new ATOM 0 HG SER A 6 -4.717 17.348 0.694 1.00 0.00 H new ATOM 59 N GLY A 7 -2.429 13.061 2.263 1.00 0.00 N ATOM 60 CA GLY A 7 -1.854 11.758 1.971 1.00 0.00 C ATOM 61 C GLY A 7 -0.983 11.271 3.131 1.00 0.00 C ATOM 62 O GLY A 7 -0.063 11.968 3.556 1.00 0.00 O ATOM 0 H GLY A 7 -3.332 13.033 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.651 11.039 1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.256 11.816 1.062 1.00 0.00 H new ATOM 66 N LEU A 8 -1.304 10.078 3.610 1.00 0.00 N ATOM 67 CA LEU A 8 -0.563 9.490 4.712 1.00 0.00 C ATOM 68 C LEU A 8 0.198 8.261 4.211 1.00 0.00 C ATOM 69 O LEU A 8 -0.178 7.662 3.205 1.00 0.00 O ATOM 70 CB LEU A 8 -1.494 9.199 5.890 1.00 0.00 C ATOM 71 CG LEU A 8 -1.351 7.818 6.533 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.823 7.839 7.989 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.078 6.752 5.711 1.00 0.00 C ATOM 0 H LEU A 8 -2.068 9.503 3.255 1.00 0.00 H new ATOM 0 HA LEU A 8 0.179 10.193 5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.324 9.954 6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.523 9.315 5.551 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.294 7.553 6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.711 6.845 8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.224 8.552 8.556 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.871 8.135 8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.960 5.780 6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.138 7.000 5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.655 6.715 4.707 1.00 0.00 H new ATOM 85 N THR A 9 1.253 7.921 4.937 1.00 0.00 N ATOM 86 CA THR A 9 2.070 6.774 4.578 1.00 0.00 C ATOM 87 C THR A 9 1.892 5.652 5.603 1.00 0.00 C ATOM 88 O THR A 9 1.426 5.891 6.716 1.00 0.00 O ATOM 89 CB THR A 9 3.518 7.248 4.442 1.00 0.00 C ATOM 90 OG1 THR A 9 3.464 8.241 3.421 1.00 0.00 O ATOM 91 CG2 THR A 9 4.436 6.169 3.865 1.00 0.00 C ATOM 0 H THR A 9 1.561 8.420 5.772 1.00 0.00 H new ATOM 0 HA THR A 9 1.760 6.352 3.622 1.00 0.00 H new ATOM 0 HB THR A 9 3.891 7.558 5.418 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.362 8.604 3.269 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.452 6.558 3.790 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.429 5.297 4.519 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.083 5.882 2.874 1.00 0.00 H new ATOM 99 N VAL A 10 2.273 4.452 5.191 1.00 0.00 N ATOM 100 CA VAL A 10 2.161 3.292 6.058 1.00 0.00 C ATOM 101 C VAL A 10 3.436 2.453 5.949 1.00 0.00 C ATOM 102 O VAL A 10 4.133 2.506 4.936 1.00 0.00 O ATOM 103 CB VAL A 10 0.895 2.503 5.717 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.979 1.915 4.307 1.00 0.00 C ATOM 105 CG2 VAL A 10 0.636 1.408 6.754 1.00 0.00 C ATOM 0 H VAL A 10 2.660 4.258 4.267 1.00 0.00 H new ATOM 0 HA VAL A 10 2.064 3.602 7.099 1.00 0.00 H new ATOM 0 HB VAL A 10 0.052 3.194 5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.067 1.359 4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.094 2.721 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.836 1.245 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.269 0.862 6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.481 0.720 6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.511 1.861 7.738 1.00 0.00 H new ATOM 115 N ASP A 11 3.702 1.698 7.004 1.00 0.00 N ATOM 116 CA ASP A 11 4.881 0.849 7.039 1.00 0.00 C ATOM 117 C ASP A 11 4.452 -0.603 7.253 1.00 0.00 C ATOM 118 O ASP A 11 4.227 -1.028 8.385 1.00 0.00 O ATOM 119 CB ASP A 11 5.809 1.242 8.191 1.00 0.00 C ATOM 120 CG ASP A 11 5.104 1.806 9.426 1.00 0.00 C ATOM 121 OD1 ASP A 11 4.529 0.987 10.174 1.00 0.00 O ATOM 122 OD2 ASP A 11 5.156 3.044 9.593 1.00 0.00 O ATOM 0 H ASP A 11 3.121 1.656 7.842 1.00 0.00 H new ATOM 0 HA ASP A 11 5.410 0.967 6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.385 0.366 8.489 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.521 1.983 7.827 1.00 0.00 H new ATOM 127 N VAL A 12 4.352 -1.326 6.147 1.00 0.00 N ATOM 128 CA VAL A 12 3.953 -2.722 6.198 1.00 0.00 C ATOM 129 C VAL A 12 5.200 -3.599 6.330 1.00 0.00 C ATOM 130 O VAL A 12 5.877 -3.875 5.341 1.00 0.00 O ATOM 131 CB VAL A 12 3.105 -3.070 4.974 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.533 -4.485 5.087 1.00 0.00 C ATOM 133 CG2 VAL A 12 1.989 -2.043 4.770 1.00 0.00 C ATOM 0 H VAL A 12 4.541 -0.971 5.210 1.00 0.00 H new ATOM 0 HA VAL A 12 3.329 -2.909 7.072 1.00 0.00 H new ATOM 0 HB VAL A 12 3.753 -3.039 4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.934 -4.707 4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.350 -5.203 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.907 -4.554 5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.401 -2.314 3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.344 -2.027 5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.426 -1.055 4.623 1.00 0.00 H new ATOM 143 N ALA A 13 5.466 -4.013 7.561 1.00 0.00 N ATOM 144 CA ALA A 13 6.620 -4.853 7.835 1.00 0.00 C ATOM 145 C ALA A 13 6.213 -6.323 7.723 1.00 0.00 C ATOM 146 O ALA A 13 5.582 -6.867 8.628 1.00 0.00 O ATOM 147 CB ALA A 13 7.187 -4.508 9.213 1.00 0.00 C ATOM 0 H ALA A 13 4.902 -3.782 8.379 1.00 0.00 H new ATOM 0 HA ALA A 13 7.408 -4.673 7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.052 -5.138 9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.488 -3.461 9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.425 -4.679 9.973 1.00 0.00 H new ATOM 153 N GLY A 14 6.590 -6.925 6.604 1.00 0.00 N ATOM 154 CA GLY A 14 6.272 -8.322 6.362 1.00 0.00 C ATOM 155 C GLY A 14 7.322 -9.241 6.992 1.00 0.00 C ATOM 156 O GLY A 14 7.351 -9.414 8.209 1.00 0.00 O ATOM 0 H GLY A 14 7.113 -6.471 5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.289 -8.551 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.219 -8.506 5.289 1.00 0.00 H new ATOM 160 N PRO A 15 8.181 -9.820 6.111 1.00 0.00 N ATOM 161 CA PRO A 15 8.078 -9.562 4.685 1.00 0.00 C ATOM 162 C PRO A 15 6.892 -10.313 4.076 1.00 0.00 C ATOM 163 O PRO A 15 6.184 -11.035 4.776 1.00 0.00 O ATOM 164 CB PRO A 15 9.415 -9.996 4.108 1.00 0.00 C ATOM 165 CG PRO A 15 10.042 -10.908 5.150 1.00 0.00 C ATOM 166 CD PRO A 15 9.269 -10.733 6.448 1.00 0.00 C ATOM 0 HA PRO A 15 7.885 -8.513 4.461 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.281 -10.519 3.161 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.052 -9.135 3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.005 -11.946 4.821 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.093 -10.657 5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.887 -11.686 6.813 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.902 -10.321 7.234 1.00 0.00 H new ATOM 174 N ALA A 16 6.712 -10.117 2.778 1.00 0.00 N ATOM 175 CA ALA A 16 5.624 -10.767 2.067 1.00 0.00 C ATOM 176 C ALA A 16 5.459 -12.195 2.592 1.00 0.00 C ATOM 177 O ALA A 16 6.393 -12.767 3.150 1.00 0.00 O ATOM 178 CB ALA A 16 5.901 -10.727 0.563 1.00 0.00 C ATOM 0 H ALA A 16 7.301 -9.517 2.200 1.00 0.00 H new ATOM 0 HA ALA A 16 4.685 -10.242 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.085 -11.215 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.981 -9.691 0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.835 -11.247 0.351 1.00 0.00 H new ATOM 184 N PRO A 17 4.231 -12.744 2.388 1.00 0.00 N ATOM 185 CA PRO A 17 3.180 -11.997 1.718 1.00 0.00 C ATOM 186 C PRO A 17 2.588 -10.932 2.643 1.00 0.00 C ATOM 187 O PRO A 17 2.901 -10.894 3.832 1.00 0.00 O ATOM 188 CB PRO A 17 2.164 -13.045 1.293 1.00 0.00 C ATOM 189 CG PRO A 17 2.451 -14.273 2.142 1.00 0.00 C ATOM 190 CD PRO A 17 3.813 -14.084 2.789 1.00 0.00 C ATOM 0 HA PRO A 17 3.545 -11.440 0.855 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.146 -12.689 1.452 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.259 -13.273 0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.681 -14.399 2.903 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.442 -15.173 1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.752 -14.172 3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.522 -14.839 2.448 1.00 0.00 H new ATOM 198 N TRP A 18 1.744 -10.092 2.062 1.00 0.00 N ATOM 199 CA TRP A 18 1.106 -9.029 2.820 1.00 0.00 C ATOM 200 C TRP A 18 -0.292 -9.505 3.218 1.00 0.00 C ATOM 201 O TRP A 18 -0.572 -9.700 4.400 1.00 0.00 O ATOM 202 CB TRP A 18 1.088 -7.723 2.024 1.00 0.00 C ATOM 203 CG TRP A 18 2.450 -7.325 1.449 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.834 -7.320 0.166 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.599 -6.872 2.196 1.00 0.00 C ATOM 206 NE1 TRP A 18 4.141 -6.898 0.031 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.621 -6.618 1.305 1.00 0.00 C ATOM 208 CE3 TRP A 18 3.769 -6.684 3.579 1.00 0.00 C ATOM 209 CZ2 TRP A 18 5.885 -6.161 1.698 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.037 -6.227 3.956 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.077 -5.966 3.071 1.00 0.00 C ATOM 0 H TRP A 18 1.487 -10.126 1.075 1.00 0.00 H new ATOM 0 HA TRP A 18 1.670 -8.810 3.726 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.374 -7.818 1.206 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.729 -6.921 2.669 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.200 -7.610 -0.659 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.659 -6.808 -0.843 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.983 -6.877 4.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.669 -5.969 0.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.220 -6.066 5.008 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.029 -5.614 3.441 1.00 0.00 H new ATOM 222 N GLY A 19 -1.133 -9.679 2.209 1.00 0.00 N ATOM 223 CA GLY A 19 -2.495 -10.129 2.439 1.00 0.00 C ATOM 224 C GLY A 19 -3.502 -9.033 2.084 1.00 0.00 C ATOM 225 O GLY A 19 -4.466 -8.810 2.814 1.00 0.00 O ATOM 0 H GLY A 19 -0.897 -9.516 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.694 -11.018 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.616 -10.414 3.484 1.00 0.00 H new ATOM 229 N PHE A 20 -3.244 -8.378 0.961 1.00 0.00 N ATOM 230 CA PHE A 20 -4.115 -7.311 0.500 1.00 0.00 C ATOM 231 C PHE A 20 -4.198 -7.293 -1.028 1.00 0.00 C ATOM 232 O PHE A 20 -3.250 -7.678 -1.709 1.00 0.00 O ATOM 233 CB PHE A 20 -3.503 -5.994 0.981 1.00 0.00 C ATOM 234 CG PHE A 20 -2.266 -5.559 0.194 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.408 -4.902 -0.989 1.00 0.00 C ATOM 236 CD2 PHE A 20 -1.023 -5.828 0.676 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.260 -4.498 -1.720 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.126 -5.424 -0.055 1.00 0.00 C ATOM 239 CZ PHE A 20 -0.017 -4.767 -1.237 1.00 0.00 C ATOM 0 H PHE A 20 -2.444 -8.566 0.357 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.122 -7.458 0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.257 -5.210 0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.236 -6.092 2.033 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.395 -4.688 -1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.909 -6.349 1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.373 -3.977 -2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.113 -5.639 0.328 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.856 -4.459 -1.792 1.00 0.00 H new ATOM 249 N ARG A 21 -5.342 -6.841 -1.521 1.00 0.00 N ATOM 250 CA ARG A 21 -5.562 -6.768 -2.955 1.00 0.00 C ATOM 251 C ARG A 21 -5.675 -5.309 -3.401 1.00 0.00 C ATOM 252 O ARG A 21 -5.827 -4.413 -2.572 1.00 0.00 O ATOM 253 CB ARG A 21 -6.834 -7.517 -3.357 1.00 0.00 C ATOM 254 CG ARG A 21 -6.692 -9.018 -3.096 1.00 0.00 C ATOM 255 CD ARG A 21 -7.998 -9.754 -3.402 1.00 0.00 C ATOM 256 NE ARG A 21 -7.710 -11.146 -3.815 1.00 0.00 N ATOM 257 CZ ARG A 21 -7.183 -11.484 -4.999 1.00 0.00 C ATOM 258 NH1 ARG A 21 -6.883 -10.534 -5.895 1.00 0.00 N ATOM 259 NH2 ARG A 21 -6.956 -12.773 -5.288 1.00 0.00 N ATOM 0 H ARG A 21 -6.126 -6.522 -0.952 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.709 -7.237 -3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.683 -7.126 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.043 -7.346 -4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.889 -9.423 -3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.411 -9.185 -2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.641 -9.753 -2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.540 -9.236 -4.193 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.926 -11.895 -3.157 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.056 -9.553 -5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.482 -10.792 -6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.185 -13.496 -4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.555 -13.030 -6.190 1.00 0.00 H new ATOM 273 N ILE A 22 -5.597 -5.115 -4.709 1.00 0.00 N ATOM 274 CA ILE A 22 -5.689 -3.780 -5.275 1.00 0.00 C ATOM 275 C ILE A 22 -6.582 -3.818 -6.517 1.00 0.00 C ATOM 276 O ILE A 22 -6.891 -4.891 -7.031 1.00 0.00 O ATOM 277 CB ILE A 22 -4.293 -3.212 -5.537 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.492 -4.132 -6.461 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.558 -2.936 -4.225 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.348 -3.371 -7.134 1.00 0.00 C ATOM 0 H ILE A 22 -5.471 -5.861 -5.394 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.157 -3.097 -4.567 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.403 -2.257 -6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.090 -4.968 -5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.150 -4.553 -7.221 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.568 -2.533 -4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.124 -2.214 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.457 -3.864 -3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.794 -4.048 -7.785 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.755 -2.550 -7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.678 -2.972 -6.372 1.00 0.00 H new ATOM 292 N SER A 23 -6.970 -2.632 -6.963 1.00 0.00 N ATOM 293 CA SER A 23 -7.821 -2.516 -8.136 1.00 0.00 C ATOM 294 C SER A 23 -7.386 -1.317 -8.981 1.00 0.00 C ATOM 295 O SER A 23 -6.477 -0.582 -8.600 1.00 0.00 O ATOM 296 CB SER A 23 -9.292 -2.379 -7.738 1.00 0.00 C ATOM 297 OG SER A 23 -10.142 -3.182 -8.552 1.00 0.00 O ATOM 0 H SER A 23 -6.711 -1.744 -6.534 1.00 0.00 H new ATOM 0 HA SER A 23 -7.716 -3.426 -8.726 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.413 -2.666 -6.694 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.594 -1.335 -7.819 1.00 0.00 H new ATOM 0 HG SER A 23 -11.072 -3.068 -8.265 1.00 0.00 H new ATOM 303 N GLY A 24 -8.057 -1.157 -10.113 1.00 0.00 N ATOM 304 CA GLY A 24 -7.751 -0.060 -11.015 1.00 0.00 C ATOM 305 C GLY A 24 -6.306 -0.145 -11.512 1.00 0.00 C ATOM 306 O GLY A 24 -5.844 -1.214 -11.908 1.00 0.00 O ATOM 0 H GLY A 24 -8.811 -1.769 -10.426 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.433 -0.082 -11.865 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.908 0.890 -10.504 1.00 0.00 H new ATOM 310 N GLY A 25 -5.633 0.996 -11.475 1.00 0.00 N ATOM 311 CA GLY A 25 -4.251 1.064 -11.916 1.00 0.00 C ATOM 312 C GLY A 25 -4.133 1.835 -13.232 1.00 0.00 C ATOM 313 O GLY A 25 -5.134 2.084 -13.902 1.00 0.00 O ATOM 0 H GLY A 25 -6.020 1.881 -11.146 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.645 1.549 -11.151 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.856 0.056 -12.044 1.00 0.00 H new ATOM 317 N ARG A 26 -2.901 2.192 -13.564 1.00 0.00 N ATOM 318 CA ARG A 26 -2.639 2.930 -14.788 1.00 0.00 C ATOM 319 C ARG A 26 -3.295 2.230 -15.980 1.00 0.00 C ATOM 320 O ARG A 26 -3.843 2.886 -16.864 1.00 0.00 O ATOM 321 CB ARG A 26 -1.136 3.057 -15.043 1.00 0.00 C ATOM 322 CG ARG A 26 -0.863 3.677 -16.415 1.00 0.00 C ATOM 323 CD ARG A 26 -0.129 5.012 -16.277 1.00 0.00 C ATOM 324 NE ARG A 26 -1.084 6.078 -15.899 1.00 0.00 N ATOM 325 CZ ARG A 26 -0.851 7.388 -16.062 1.00 0.00 C ATOM 326 NH1 ARG A 26 0.305 7.801 -16.598 1.00 0.00 N ATOM 327 NH2 ARG A 26 -1.775 8.284 -15.690 1.00 0.00 N ATOM 0 H ARG A 26 -2.073 1.984 -13.006 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.061 3.928 -14.671 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.682 3.672 -14.265 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.669 2.074 -14.985 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.267 2.991 -17.016 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.804 3.828 -16.943 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.654 4.930 -15.523 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.360 5.267 -17.217 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.975 5.798 -15.489 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.008 7.119 -16.882 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.482 8.798 -16.722 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.656 7.969 -15.283 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.598 9.281 -15.814 1.00 0.00 H new ATOM 341 N ASP A 27 -3.217 0.908 -15.966 1.00 0.00 N ATOM 342 CA ASP A 27 -3.796 0.112 -17.035 1.00 0.00 C ATOM 343 C ASP A 27 -5.276 0.470 -17.186 1.00 0.00 C ATOM 344 O ASP A 27 -5.744 0.734 -18.292 1.00 0.00 O ATOM 345 CB ASP A 27 -3.700 -1.382 -16.723 1.00 0.00 C ATOM 346 CG ASP A 27 -3.126 -2.243 -17.850 1.00 0.00 C ATOM 347 OD1 ASP A 27 -2.769 -1.650 -18.891 1.00 0.00 O ATOM 348 OD2 ASP A 27 -3.057 -3.474 -17.646 1.00 0.00 O ATOM 0 H ASP A 27 -2.761 0.367 -15.231 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.245 0.325 -17.951 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.082 -1.513 -15.835 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.695 -1.751 -16.476 1.00 0.00 H new ATOM 353 N PHE A 28 -5.971 0.467 -16.058 1.00 0.00 N ATOM 354 CA PHE A 28 -7.388 0.788 -16.051 1.00 0.00 C ATOM 355 C PHE A 28 -7.608 2.299 -15.945 1.00 0.00 C ATOM 356 O PHE A 28 -8.731 2.753 -15.736 1.00 0.00 O ATOM 357 CB PHE A 28 -7.995 0.109 -14.822 1.00 0.00 C ATOM 358 CG PHE A 28 -8.091 -1.414 -14.936 1.00 0.00 C ATOM 359 CD1 PHE A 28 -7.050 -2.193 -14.540 1.00 0.00 C ATOM 360 CD2 PHE A 28 -9.219 -1.988 -15.435 1.00 0.00 C ATOM 361 CE1 PHE A 28 -7.140 -3.606 -14.646 1.00 0.00 C ATOM 362 CE2 PHE A 28 -9.309 -3.401 -15.542 1.00 0.00 C ATOM 363 CZ PHE A 28 -8.267 -4.180 -15.145 1.00 0.00 C ATOM 0 H PHE A 28 -5.579 0.247 -15.142 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.851 0.444 -16.976 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.395 0.360 -13.947 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.993 0.514 -14.652 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.154 -1.737 -14.145 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.046 -1.369 -15.750 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.313 -4.225 -14.330 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.204 -3.857 -15.938 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.335 -5.255 -15.226 1.00 0.00 H new ATOM 373 N HIS A 29 -6.516 3.035 -16.095 1.00 0.00 N ATOM 374 CA HIS A 29 -6.576 4.485 -16.018 1.00 0.00 C ATOM 375 C HIS A 29 -7.172 4.904 -14.673 1.00 0.00 C ATOM 376 O HIS A 29 -7.674 6.018 -14.533 1.00 0.00 O ATOM 377 CB HIS A 29 -7.341 5.061 -17.212 1.00 0.00 C ATOM 378 CG HIS A 29 -6.737 4.717 -18.552 1.00 0.00 C ATOM 379 ND1 HIS A 29 -5.911 3.696 -18.922 1.00 0.00 N flip ATOM 380 CD2 HIS A 29 -6.965 5.468 -19.692 1.00 0.00 C flip ATOM 381 CE1 HIS A 29 -5.650 3.816 -20.218 1.00 0.00 C flip ATOM 382 NE2 HIS A 29 -6.302 4.914 -20.697 1.00 0.00 N flip ATOM 0 H HIS A 29 -5.586 2.655 -16.269 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.569 4.898 -16.073 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.368 4.696 -17.183 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.386 6.146 -17.113 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -5.554 2.965 -18.307 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.579 6.355 -19.752 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.024 3.153 -20.798 1.00 0.00 H new ATOM 390 N THR A 30 -7.099 3.988 -13.718 1.00 0.00 N ATOM 391 CA THR A 30 -7.625 4.249 -12.389 1.00 0.00 C ATOM 392 C THR A 30 -6.511 4.149 -11.345 1.00 0.00 C ATOM 393 O THR A 30 -5.480 3.525 -11.590 1.00 0.00 O ATOM 394 CB THR A 30 -8.781 3.277 -12.140 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.359 2.068 -12.766 1.00 0.00 O ATOM 396 CG2 THR A 30 -10.049 3.668 -12.901 1.00 0.00 C ATOM 0 H THR A 30 -6.684 3.064 -13.838 1.00 0.00 H new ATOM 0 HA THR A 30 -8.012 5.265 -12.309 1.00 0.00 H new ATOM 0 HB THR A 30 -8.997 3.236 -11.072 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.115 1.447 -12.821 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.838 2.946 -12.689 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.371 4.660 -12.585 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.843 3.677 -13.971 1.00 0.00 H new ATOM 404 N PRO A 31 -6.764 4.790 -10.173 1.00 0.00 N ATOM 405 CA PRO A 31 -5.794 4.780 -9.090 1.00 0.00 C ATOM 406 C PRO A 31 -5.776 3.422 -8.384 1.00 0.00 C ATOM 407 O PRO A 31 -6.811 2.770 -8.258 1.00 0.00 O ATOM 408 CB PRO A 31 -6.213 5.919 -8.176 1.00 0.00 C ATOM 409 CG PRO A 31 -7.660 6.226 -8.529 1.00 0.00 C ATOM 410 CD PRO A 31 -7.974 5.539 -9.848 1.00 0.00 C ATOM 0 HA PRO A 31 -4.771 4.923 -9.439 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.119 5.634 -7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.580 6.794 -8.327 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.328 5.870 -7.745 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.812 7.302 -8.613 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.836 4.878 -9.755 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.211 6.265 -10.626 1.00 0.00 H new ATOM 418 N ILE A 32 -4.588 3.037 -7.943 1.00 0.00 N ATOM 419 CA ILE A 32 -4.421 1.769 -7.252 1.00 0.00 C ATOM 420 C ILE A 32 -5.158 1.822 -5.913 1.00 0.00 C ATOM 421 O ILE A 32 -4.668 2.413 -4.953 1.00 0.00 O ATOM 422 CB ILE A 32 -2.936 1.421 -7.124 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.271 1.339 -8.499 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.743 0.136 -6.316 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.336 -0.085 -9.056 1.00 0.00 C ATOM 0 H ILE A 32 -3.731 3.580 -8.050 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.866 0.959 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.443 2.224 -6.576 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.765 2.025 -9.187 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.231 1.657 -8.423 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.679 -0.089 -6.240 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.159 0.268 -5.317 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.253 -0.688 -6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.856 -0.115 -10.034 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.820 -0.765 -8.378 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.378 -0.390 -9.153 1.00 0.00 H new ATOM 437 N ILE A 33 -6.326 1.195 -5.892 1.00 0.00 N ATOM 438 CA ILE A 33 -7.136 1.163 -4.687 1.00 0.00 C ATOM 439 C ILE A 33 -7.177 -0.267 -4.143 1.00 0.00 C ATOM 440 O ILE A 33 -7.167 -1.227 -4.911 1.00 0.00 O ATOM 441 CB ILE A 33 -8.519 1.759 -4.955 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.429 3.267 -5.198 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.492 1.419 -3.823 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.244 3.673 -6.428 1.00 0.00 C ATOM 0 H ILE A 33 -6.730 0.706 -6.691 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.691 1.787 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.914 1.309 -5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.794 3.803 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.387 3.555 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.468 1.855 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.589 0.337 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.114 1.823 -2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.163 4.750 -6.579 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.860 3.154 -7.306 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.290 3.405 -6.276 1.00 0.00 H new ATOM 456 N VAL A 34 -7.224 -0.363 -2.822 1.00 0.00 N ATOM 457 CA VAL A 34 -7.267 -1.659 -2.167 1.00 0.00 C ATOM 458 C VAL A 34 -8.696 -2.202 -2.215 1.00 0.00 C ATOM 459 O VAL A 34 -9.656 -1.449 -2.059 1.00 0.00 O ATOM 460 CB VAL A 34 -6.718 -1.544 -0.744 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.810 -2.884 -0.011 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.281 -1.020 -0.751 1.00 0.00 C ATOM 0 H VAL A 34 -7.233 0.436 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.630 -2.373 -2.690 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.334 -0.824 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.413 -2.775 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.852 -3.199 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.230 -3.634 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.915 -0.948 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.647 -1.704 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.255 -0.034 -1.216 1.00 0.00 H new ATOM 472 N THR A 35 -8.792 -3.506 -2.432 1.00 0.00 N ATOM 473 CA THR A 35 -10.088 -4.159 -2.502 1.00 0.00 C ATOM 474 C THR A 35 -10.343 -4.977 -1.234 1.00 0.00 C ATOM 475 O THR A 35 -11.394 -4.849 -0.609 1.00 0.00 O ATOM 476 CB THR A 35 -10.128 -4.995 -3.783 1.00 0.00 C ATOM 477 OG1 THR A 35 -8.794 -5.475 -3.925 1.00 0.00 O ATOM 478 CG2 THR A 35 -10.352 -4.141 -5.033 1.00 0.00 C ATOM 0 H THR A 35 -7.994 -4.127 -2.562 1.00 0.00 H new ATOM 0 HA THR A 35 -10.896 -3.429 -2.548 1.00 0.00 H new ATOM 0 HB THR A 35 -10.920 -5.740 -3.706 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.730 -6.029 -4.731 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.372 -4.783 -5.914 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.302 -3.613 -4.947 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.542 -3.418 -5.130 1.00 0.00 H new ATOM 486 N LYS A 36 -9.362 -5.801 -0.894 1.00 0.00 N ATOM 487 CA LYS A 36 -9.467 -6.640 0.288 1.00 0.00 C ATOM 488 C LYS A 36 -8.257 -6.394 1.192 1.00 0.00 C ATOM 489 O LYS A 36 -7.202 -5.971 0.721 1.00 0.00 O ATOM 490 CB LYS A 36 -9.649 -8.106 -0.110 1.00 0.00 C ATOM 491 CG LYS A 36 -10.944 -8.676 0.472 1.00 0.00 C ATOM 492 CD LYS A 36 -10.690 -9.345 1.824 1.00 0.00 C ATOM 493 CE LYS A 36 -11.960 -9.357 2.677 1.00 0.00 C ATOM 494 NZ LYS A 36 -11.911 -8.283 3.694 1.00 0.00 N ATOM 0 H LYS A 36 -8.492 -5.905 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.354 -6.377 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.666 -8.192 -1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.799 -8.690 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.676 -7.877 0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.371 -9.400 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.342 -10.366 1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.898 -8.815 2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.834 -9.223 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.067 -10.325 3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.780 -8.305 4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.087 -8.428 4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.831 -7.360 3.221 1.00 0.00 H new ATOM 508 N VAL A 37 -8.450 -6.669 2.473 1.00 0.00 N ATOM 509 CA VAL A 37 -7.388 -6.482 3.447 1.00 0.00 C ATOM 510 C VAL A 37 -7.424 -7.628 4.461 1.00 0.00 C ATOM 511 O VAL A 37 -8.253 -7.631 5.370 1.00 0.00 O ATOM 512 CB VAL A 37 -7.511 -5.103 4.098 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.515 -4.950 5.250 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.330 -3.990 3.064 1.00 0.00 C ATOM 0 H VAL A 37 -9.326 -7.020 2.860 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.414 -6.510 2.959 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.516 -5.016 4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.623 -3.961 5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.712 -5.711 6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.500 -5.068 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.422 -3.020 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.344 -4.074 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.095 -4.082 2.293 1.00 0.00 H new ATOM 524 N THR A 38 -6.516 -8.573 4.270 1.00 0.00 N ATOM 525 CA THR A 38 -6.434 -9.722 5.156 1.00 0.00 C ATOM 526 C THR A 38 -6.457 -9.270 6.618 1.00 0.00 C ATOM 527 O THR A 38 -5.641 -8.447 7.030 1.00 0.00 O ATOM 528 CB THR A 38 -5.180 -10.516 4.786 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.504 -11.112 3.533 1.00 0.00 O ATOM 530 CG2 THR A 38 -4.946 -11.708 5.716 1.00 0.00 C ATOM 0 H THR A 38 -5.830 -8.567 3.515 1.00 0.00 H new ATOM 0 HA THR A 38 -7.298 -10.376 5.036 1.00 0.00 H new ATOM 0 HB THR A 38 -4.312 -9.857 4.815 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.449 -10.436 2.825 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.044 -12.237 5.409 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.828 -11.353 6.740 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.799 -12.384 5.662 1.00 0.00 H new ATOM 538 N GLU A 39 -7.400 -9.828 7.362 1.00 0.00 N ATOM 539 CA GLU A 39 -7.540 -9.493 8.769 1.00 0.00 C ATOM 540 C GLU A 39 -6.437 -10.167 9.587 1.00 0.00 C ATOM 541 O GLU A 39 -6.025 -11.284 9.279 1.00 0.00 O ATOM 542 CB GLU A 39 -8.925 -9.883 9.290 1.00 0.00 C ATOM 543 CG GLU A 39 -8.986 -9.780 10.815 1.00 0.00 C ATOM 544 CD GLU A 39 -8.915 -8.320 11.269 1.00 0.00 C ATOM 545 OE1 GLU A 39 -9.999 -7.707 11.378 1.00 0.00 O ATOM 546 OE2 GLU A 39 -7.779 -7.850 11.496 1.00 0.00 O ATOM 0 H GLU A 39 -8.075 -10.510 7.017 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.438 -8.413 8.878 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.680 -9.233 8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.160 -10.901 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.909 -10.233 11.177 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.162 -10.342 11.254 1.00 0.00 H new ATOM 553 N ARG A 40 -5.990 -9.458 10.614 1.00 0.00 N ATOM 554 CA ARG A 40 -4.942 -9.974 11.479 1.00 0.00 C ATOM 555 C ARG A 40 -3.737 -10.418 10.646 1.00 0.00 C ATOM 556 O ARG A 40 -2.914 -11.204 11.111 1.00 0.00 O ATOM 557 CB ARG A 40 -5.445 -11.157 12.308 1.00 0.00 C ATOM 558 CG ARG A 40 -6.414 -10.692 13.396 1.00 0.00 C ATOM 559 CD ARG A 40 -5.665 -10.328 14.679 1.00 0.00 C ATOM 560 NE ARG A 40 -6.320 -10.962 15.845 1.00 0.00 N ATOM 561 CZ ARG A 40 -5.702 -11.219 17.006 1.00 0.00 C ATOM 562 NH1 ARG A 40 -4.411 -10.899 17.163 1.00 0.00 N ATOM 563 NH2 ARG A 40 -6.376 -11.797 18.010 1.00 0.00 N ATOM 0 H ARG A 40 -6.334 -8.532 10.866 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.645 -9.172 12.155 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.942 -11.877 11.657 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.599 -11.671 12.765 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.977 -9.828 13.042 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.138 -11.480 13.604 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.628 -10.657 14.610 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.648 -9.245 14.805 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.303 -11.219 15.760 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.898 -10.460 16.399 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.941 -11.095 18.047 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.359 -12.041 17.890 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.906 -11.993 18.894 1.00 0.00 H new ATOM 577 N GLY A 41 -3.673 -9.894 9.431 1.00 0.00 N ATOM 578 CA GLY A 41 -2.583 -10.227 8.530 1.00 0.00 C ATOM 579 C GLY A 41 -1.404 -9.269 8.718 1.00 0.00 C ATOM 580 O GLY A 41 -1.146 -8.808 9.828 1.00 0.00 O ATOM 0 H GLY A 41 -4.358 -9.242 9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.257 -11.251 8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.932 -10.182 7.498 1.00 0.00 H new ATOM 584 N LYS A 42 -0.721 -8.999 7.615 1.00 0.00 N ATOM 585 CA LYS A 42 0.423 -8.104 7.644 1.00 0.00 C ATOM 586 C LYS A 42 -0.052 -6.667 7.422 1.00 0.00 C ATOM 587 O LYS A 42 0.152 -5.804 8.274 1.00 0.00 O ATOM 588 CB LYS A 42 1.486 -8.562 6.643 1.00 0.00 C ATOM 589 CG LYS A 42 1.962 -9.982 6.959 1.00 0.00 C ATOM 590 CD LYS A 42 2.958 -9.981 8.120 1.00 0.00 C ATOM 591 CE LYS A 42 3.718 -11.307 8.192 1.00 0.00 C ATOM 592 NZ LYS A 42 3.356 -12.046 9.422 1.00 0.00 N ATOM 0 H LYS A 42 -0.938 -9.384 6.696 1.00 0.00 H new ATOM 0 HA LYS A 42 0.904 -8.133 8.622 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.078 -8.528 5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.333 -7.877 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.106 -10.609 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.428 -10.418 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.664 -9.159 7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.429 -9.810 9.057 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.488 -11.913 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.792 -11.119 8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.881 -12.943 9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.598 -11.473 10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.335 -12.242 9.421 1.00 0.00 H new ATOM 606 N ALA A 43 -0.677 -6.455 6.273 1.00 0.00 N ATOM 607 CA ALA A 43 -1.183 -5.138 5.928 1.00 0.00 C ATOM 608 C ALA A 43 -1.924 -4.550 7.131 1.00 0.00 C ATOM 609 O ALA A 43 -1.438 -3.616 7.767 1.00 0.00 O ATOM 610 CB ALA A 43 -2.074 -5.241 4.689 1.00 0.00 C ATOM 0 H ALA A 43 -0.844 -7.174 5.569 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.362 -4.464 5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.453 -4.252 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.494 -5.636 3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.911 -5.908 4.897 1.00 0.00 H new ATOM 616 N GLU A 44 -3.087 -5.121 7.407 1.00 0.00 N ATOM 617 CA GLU A 44 -3.899 -4.665 8.522 1.00 0.00 C ATOM 618 C GLU A 44 -3.010 -4.310 9.715 1.00 0.00 C ATOM 619 O GLU A 44 -3.208 -3.279 10.356 1.00 0.00 O ATOM 620 CB GLU A 44 -4.941 -5.718 8.908 1.00 0.00 C ATOM 621 CG GLU A 44 -5.915 -5.168 9.951 1.00 0.00 C ATOM 622 CD GLU A 44 -5.566 -5.679 11.351 1.00 0.00 C ATOM 623 OE1 GLU A 44 -4.992 -6.787 11.423 1.00 0.00 O ATOM 624 OE2 GLU A 44 -5.880 -4.950 12.316 1.00 0.00 O ATOM 0 H GLU A 44 -3.487 -5.896 6.877 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.435 -3.767 8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.491 -6.032 8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.441 -6.602 9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.888 -4.078 9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.932 -5.464 9.695 1.00 0.00 H new ATOM 631 N ALA A 45 -2.050 -5.184 9.978 1.00 0.00 N ATOM 632 CA ALA A 45 -1.130 -4.976 11.084 1.00 0.00 C ATOM 633 C ALA A 45 -0.656 -3.521 11.080 1.00 0.00 C ATOM 634 O ALA A 45 -0.715 -2.843 12.104 1.00 0.00 O ATOM 635 CB ALA A 45 0.030 -5.967 10.976 1.00 0.00 C ATOM 0 H ALA A 45 -1.889 -6.038 9.444 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.627 -5.159 12.037 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.720 -5.811 11.805 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.357 -6.985 11.012 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.555 -5.812 10.033 1.00 0.00 H new ATOM 641 N ALA A 46 -0.197 -3.085 9.916 1.00 0.00 N ATOM 642 CA ALA A 46 0.286 -1.723 9.765 1.00 0.00 C ATOM 643 C ALA A 46 -0.888 -0.752 9.897 1.00 0.00 C ATOM 644 O ALA A 46 -1.143 -0.222 10.978 1.00 0.00 O ATOM 645 CB ALA A 46 1.010 -1.584 8.424 1.00 0.00 C ATOM 0 H ALA A 46 -0.149 -3.651 9.069 1.00 0.00 H new ATOM 0 HA ALA A 46 1.003 -1.481 10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.372 -0.562 8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.853 -2.274 8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.321 -1.817 7.612 1.00 0.00 H new ATOM 651 N ASP A 47 -1.573 -0.547 8.781 1.00 0.00 N ATOM 652 CA ASP A 47 -2.715 0.352 8.759 1.00 0.00 C ATOM 653 C ASP A 47 -3.251 0.453 7.329 1.00 0.00 C ATOM 654 O ASP A 47 -3.639 1.531 6.882 1.00 0.00 O ATOM 655 CB ASP A 47 -2.319 1.757 9.216 1.00 0.00 C ATOM 656 CG ASP A 47 -3.331 2.448 10.133 1.00 0.00 C ATOM 657 OD1 ASP A 47 -4.509 2.033 10.092 1.00 0.00 O ATOM 658 OD2 ASP A 47 -2.902 3.374 10.854 1.00 0.00 O ATOM 0 H ASP A 47 -1.359 -0.988 7.886 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.471 -0.047 9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.362 1.698 9.735 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.166 2.380 8.335 1.00 0.00 H new ATOM 663 N LEU A 48 -3.255 -0.685 6.651 1.00 0.00 N ATOM 664 CA LEU A 48 -3.736 -0.738 5.281 1.00 0.00 C ATOM 665 C LEU A 48 -5.207 -1.161 5.278 1.00 0.00 C ATOM 666 O LEU A 48 -5.563 -2.185 5.858 1.00 0.00 O ATOM 667 CB LEU A 48 -2.836 -1.638 4.431 1.00 0.00 C ATOM 668 CG LEU A 48 -3.109 -1.630 2.925 1.00 0.00 C ATOM 669 CD1 LEU A 48 -2.962 -0.220 2.349 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.218 -2.641 2.201 1.00 0.00 C ATOM 0 H LEU A 48 -2.933 -1.578 7.025 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.686 0.249 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.800 -1.340 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.934 -2.662 4.792 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.142 -1.938 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.161 -0.242 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.672 0.448 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.948 0.140 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.432 -2.615 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.171 -2.388 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.415 -3.641 2.586 1.00 0.00 H new ATOM 682 N ARG A 49 -6.021 -0.350 4.617 1.00 0.00 N ATOM 683 CA ARG A 49 -7.444 -0.627 4.531 1.00 0.00 C ATOM 684 C ARG A 49 -7.895 -0.638 3.069 1.00 0.00 C ATOM 685 O ARG A 49 -7.229 -0.068 2.206 1.00 0.00 O ATOM 686 CB ARG A 49 -8.256 0.417 5.300 1.00 0.00 C ATOM 687 CG ARG A 49 -8.844 -0.180 6.581 1.00 0.00 C ATOM 688 CD ARG A 49 -9.447 0.911 7.468 1.00 0.00 C ATOM 689 NE ARG A 49 -10.217 0.297 8.573 1.00 0.00 N ATOM 690 CZ ARG A 49 -11.482 -0.129 8.461 1.00 0.00 C ATOM 691 NH1 ARG A 49 -12.128 -0.010 7.293 1.00 0.00 N ATOM 692 NH2 ARG A 49 -12.102 -0.673 9.517 1.00 0.00 N ATOM 0 H ARG A 49 -5.722 0.498 4.136 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.619 -1.606 4.976 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.620 1.266 5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.060 0.795 4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.611 -0.912 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.066 -0.711 7.130 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.655 1.542 7.872 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.096 1.555 6.875 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.755 0.192 9.476 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.656 0.405 6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.091 -0.334 7.208 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.611 -0.763 10.406 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.065 -0.997 9.431 1.00 0.00 H new ATOM 706 N PRO A 50 -9.053 -1.310 2.830 1.00 0.00 N ATOM 707 CA PRO A 50 -9.601 -1.402 1.487 1.00 0.00 C ATOM 708 C PRO A 50 -10.241 -0.079 1.064 1.00 0.00 C ATOM 709 O PRO A 50 -11.113 0.443 1.757 1.00 0.00 O ATOM 710 CB PRO A 50 -10.595 -2.551 1.546 1.00 0.00 C ATOM 711 CG PRO A 50 -10.909 -2.755 3.019 1.00 0.00 C ATOM 712 CD PRO A 50 -9.869 -1.997 3.827 1.00 0.00 C ATOM 0 HA PRO A 50 -8.837 -1.592 0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.498 -2.315 0.983 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.173 -3.455 1.108 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.910 -2.392 3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.889 -3.815 3.270 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.338 -1.289 4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.267 -2.675 4.433 1.00 0.00 H new ATOM 720 N GLY A 51 -9.783 0.426 -0.072 1.00 0.00 N ATOM 721 CA GLY A 51 -10.300 1.679 -0.596 1.00 0.00 C ATOM 722 C GLY A 51 -9.207 2.748 -0.641 1.00 0.00 C ATOM 723 O GLY A 51 -9.269 3.672 -1.450 1.00 0.00 O ATOM 0 H GLY A 51 -9.060 -0.010 -0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.700 1.521 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.126 2.024 0.026 1.00 0.00 H new ATOM 727 N ASP A 52 -8.230 2.587 0.240 1.00 0.00 N ATOM 728 CA ASP A 52 -7.124 3.526 0.312 1.00 0.00 C ATOM 729 C ASP A 52 -6.470 3.644 -1.067 1.00 0.00 C ATOM 730 O ASP A 52 -6.140 2.636 -1.689 1.00 0.00 O ATOM 731 CB ASP A 52 -6.059 3.049 1.301 1.00 0.00 C ATOM 732 CG ASP A 52 -6.522 2.956 2.756 1.00 0.00 C ATOM 733 OD1 ASP A 52 -7.484 2.195 2.997 1.00 0.00 O ATOM 734 OD2 ASP A 52 -5.905 3.649 3.593 1.00 0.00 O ATOM 0 H ASP A 52 -8.182 1.820 0.910 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.519 4.487 0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.705 2.068 0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.207 3.727 1.249 1.00 0.00 H new ATOM 739 N ILE A 53 -6.304 4.884 -1.503 1.00 0.00 N ATOM 740 CA ILE A 53 -5.695 5.147 -2.796 1.00 0.00 C ATOM 741 C ILE A 53 -4.175 5.213 -2.636 1.00 0.00 C ATOM 742 O ILE A 53 -3.652 6.141 -2.022 1.00 0.00 O ATOM 743 CB ILE A 53 -6.302 6.401 -3.429 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.771 6.175 -3.792 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.478 6.861 -4.633 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.473 7.503 -4.086 1.00 0.00 C ATOM 0 H ILE A 53 -6.580 5.717 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.907 4.333 -3.489 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.272 7.204 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.838 5.523 -4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.278 5.665 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.931 7.754 -5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.461 7.089 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.454 6.069 -5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.516 7.315 -4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.425 8.143 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.979 7.999 -4.922 1.00 0.00 H new ATOM 758 N ILE A 54 -3.509 4.216 -3.199 1.00 0.00 N ATOM 759 CA ILE A 54 -2.059 4.149 -3.126 1.00 0.00 C ATOM 760 C ILE A 54 -1.458 5.243 -4.011 1.00 0.00 C ATOM 761 O ILE A 54 -1.533 5.166 -5.237 1.00 0.00 O ATOM 762 CB ILE A 54 -1.570 2.741 -3.471 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.644 1.821 -2.251 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.164 2.781 -4.074 1.00 0.00 C ATOM 765 CD1 ILE A 54 -1.482 0.355 -2.659 1.00 0.00 C ATOM 0 H ILE A 54 -3.946 3.448 -3.708 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.719 4.339 -2.108 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.234 2.325 -4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.865 2.092 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.600 1.958 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.160 1.767 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.176 3.380 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.527 3.225 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.538 -0.278 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.277 0.080 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.515 0.217 -3.143 1.00 0.00 H new ATOM 777 N VAL A 55 -0.875 6.235 -3.356 1.00 0.00 N ATOM 778 CA VAL A 55 -0.261 7.343 -4.068 1.00 0.00 C ATOM 779 C VAL A 55 1.087 6.895 -4.636 1.00 0.00 C ATOM 780 O VAL A 55 1.383 7.136 -5.805 1.00 0.00 O ATOM 781 CB VAL A 55 -0.145 8.559 -3.145 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.207 9.862 -3.945 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.225 8.529 -2.062 1.00 0.00 C ATOM 0 H VAL A 55 -0.814 6.295 -2.340 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.884 7.647 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 55 0.826 8.515 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.122 10.710 -3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.613 9.888 -4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.156 9.917 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.121 9.403 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.210 8.538 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.115 7.624 -1.464 1.00 0.00 H new ATOM 793 N ALA A 56 1.868 6.249 -3.782 1.00 0.00 N ATOM 794 CA ALA A 56 3.177 5.765 -4.184 1.00 0.00 C ATOM 795 C ALA A 56 3.413 4.380 -3.577 1.00 0.00 C ATOM 796 O ALA A 56 2.644 3.932 -2.728 1.00 0.00 O ATOM 797 CB ALA A 56 4.247 6.775 -3.765 1.00 0.00 C ATOM 0 H ALA A 56 1.619 6.050 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 56 3.232 5.664 -5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.229 6.411 -4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.051 7.733 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.224 6.901 -2.683 1.00 0.00 H new ATOM 803 N ILE A 57 4.479 3.741 -4.036 1.00 0.00 N ATOM 804 CA ILE A 57 4.825 2.417 -3.549 1.00 0.00 C ATOM 805 C ILE A 57 6.291 2.406 -3.111 1.00 0.00 C ATOM 806 O ILE A 57 7.192 2.346 -3.947 1.00 0.00 O ATOM 807 CB ILE A 57 4.489 1.355 -4.598 1.00 0.00 C ATOM 808 CG1 ILE A 57 2.978 1.269 -4.827 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.089 0.000 -4.218 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.644 0.228 -5.897 1.00 0.00 C ATOM 0 H ILE A 57 5.115 4.116 -4.740 1.00 0.00 H new ATOM 0 HA ILE A 57 4.228 2.166 -2.672 1.00 0.00 H new ATOM 0 HB ILE A 57 4.941 1.654 -5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.479 1.009 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.597 2.244 -5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.835 -0.737 -4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.173 0.089 -4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.687 -0.319 -3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.564 0.187 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.124 0.504 -6.836 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.005 -0.750 -5.579 1.00 0.00 H new ATOM 822 N ASN A 58 6.485 2.466 -1.802 1.00 0.00 N ATOM 823 CA ASN A 58 7.826 2.464 -1.243 1.00 0.00 C ATOM 824 C ASN A 58 8.480 3.825 -1.494 1.00 0.00 C ATOM 825 O ASN A 58 9.657 4.016 -1.193 1.00 0.00 O ATOM 826 CB ASN A 58 8.696 1.393 -1.903 1.00 0.00 C ATOM 827 CG ASN A 58 9.348 0.492 -0.852 1.00 0.00 C ATOM 828 OD1 ASN A 58 9.462 0.836 0.313 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.768 -0.677 -1.327 1.00 0.00 N ATOM 0 H ASN A 58 5.736 2.516 -1.112 1.00 0.00 H new ATOM 0 HA ASN A 58 7.746 2.257 -0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.088 0.790 -2.577 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.467 1.868 -2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.217 -1.349 -0.704 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.641 -0.902 -2.314 1.00 0.00 H new ATOM 836 N GLY A 59 7.688 4.734 -2.042 1.00 0.00 N ATOM 837 CA GLY A 59 8.175 6.071 -2.336 1.00 0.00 C ATOM 838 C GLY A 59 8.077 6.374 -3.832 1.00 0.00 C ATOM 839 O GLY A 59 8.364 7.489 -4.264 1.00 0.00 O ATOM 0 H GLY A 59 6.712 4.571 -2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.596 6.804 -1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.211 6.164 -2.010 1.00 0.00 H new ATOM 843 N GLN A 60 7.669 5.361 -4.583 1.00 0.00 N ATOM 844 CA GLN A 60 7.529 5.504 -6.022 1.00 0.00 C ATOM 845 C GLN A 60 6.062 5.730 -6.392 1.00 0.00 C ATOM 846 O GLN A 60 5.217 4.868 -6.151 1.00 0.00 O ATOM 847 CB GLN A 60 8.098 4.286 -6.752 1.00 0.00 C ATOM 848 CG GLN A 60 7.701 4.298 -8.230 1.00 0.00 C ATOM 849 CD GLN A 60 8.938 4.293 -9.130 1.00 0.00 C ATOM 850 OE1 GLN A 60 9.181 5.207 -9.901 1.00 0.00 O ATOM 851 NE2 GLN A 60 9.705 3.215 -8.990 1.00 0.00 N ATOM 0 H GLN A 60 7.431 4.437 -4.221 1.00 0.00 H new ATOM 0 HA GLN A 60 8.102 6.376 -6.339 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.184 4.279 -6.664 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.734 3.373 -6.281 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.082 3.428 -8.451 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.097 5.181 -8.441 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.444 2.486 -8.326 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.554 3.117 -9.547 1.00 0.00 H new ATOM 860 N SER A 61 5.803 6.892 -6.973 1.00 0.00 N ATOM 861 CA SER A 61 4.453 7.242 -7.379 1.00 0.00 C ATOM 862 C SER A 61 3.760 6.025 -7.997 1.00 0.00 C ATOM 863 O SER A 61 4.395 5.232 -8.691 1.00 0.00 O ATOM 864 CB SER A 61 4.460 8.408 -8.369 1.00 0.00 C ATOM 865 OG SER A 61 4.030 9.625 -7.764 1.00 0.00 O ATOM 0 H SER A 61 6.506 7.604 -7.172 1.00 0.00 H new ATOM 0 HA SER A 61 3.901 7.556 -6.493 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.466 8.538 -8.769 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.810 8.172 -9.211 1.00 0.00 H new ATOM 0 HG SER A 61 4.050 10.345 -8.428 1.00 0.00 H new ATOM 871 N ALA A 62 2.469 5.916 -7.723 1.00 0.00 N ATOM 872 CA ALA A 62 1.684 4.810 -8.243 1.00 0.00 C ATOM 873 C ALA A 62 0.582 5.356 -9.153 1.00 0.00 C ATOM 874 O ALA A 62 -0.239 4.595 -9.665 1.00 0.00 O ATOM 875 CB ALA A 62 1.126 3.988 -7.079 1.00 0.00 C ATOM 0 H ALA A 62 1.946 6.576 -7.147 1.00 0.00 H new ATOM 0 HA ALA A 62 2.307 4.145 -8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.537 3.158 -7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.950 3.599 -6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.493 4.621 -6.457 1.00 0.00 H new ATOM 881 N GLU A 63 0.599 6.669 -9.327 1.00 0.00 N ATOM 882 CA GLU A 63 -0.389 7.325 -10.167 1.00 0.00 C ATOM 883 C GLU A 63 -0.354 6.743 -11.581 1.00 0.00 C ATOM 884 O GLU A 63 -1.358 6.770 -12.292 1.00 0.00 O ATOM 885 CB GLU A 63 -0.169 8.839 -10.192 1.00 0.00 C ATOM 886 CG GLU A 63 -1.327 9.573 -9.512 1.00 0.00 C ATOM 887 CD GLU A 63 -1.715 10.829 -10.295 1.00 0.00 C ATOM 888 OE1 GLU A 63 -0.845 11.719 -10.407 1.00 0.00 O ATOM 889 OE2 GLU A 63 -2.872 10.870 -10.765 1.00 0.00 O ATOM 0 H GLU A 63 1.281 7.296 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.376 7.141 -9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.766 9.082 -9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.074 9.179 -11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.188 8.909 -9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.042 9.847 -8.496 1.00 0.00 H new ATOM 896 N ASN A 64 0.811 6.230 -11.947 1.00 0.00 N ATOM 897 CA ASN A 64 0.990 5.642 -13.264 1.00 0.00 C ATOM 898 C ASN A 64 1.564 4.232 -13.115 1.00 0.00 C ATOM 899 O ASN A 64 2.588 3.908 -13.715 1.00 0.00 O ATOM 900 CB ASN A 64 1.967 6.464 -14.106 1.00 0.00 C ATOM 901 CG ASN A 64 3.143 6.954 -13.259 1.00 0.00 C ATOM 902 OD1 ASN A 64 3.445 6.422 -12.204 1.00 0.00 O ATOM 903 ND2 ASN A 64 3.788 7.994 -13.779 1.00 0.00 N ATOM 0 H ASN A 64 1.641 6.209 -11.354 1.00 0.00 H new ATOM 0 HA ASN A 64 0.019 5.620 -13.758 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.337 5.859 -14.934 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.448 7.317 -14.542 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.588 8.394 -13.290 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.482 8.391 -14.667 1.00 0.00 H new ATOM 910 N MET A 65 0.880 3.431 -12.311 1.00 0.00 N ATOM 911 CA MET A 65 1.309 2.063 -12.075 1.00 0.00 C ATOM 912 C MET A 65 0.267 1.065 -12.586 1.00 0.00 C ATOM 913 O MET A 65 -0.887 1.097 -12.162 1.00 0.00 O ATOM 914 CB MET A 65 1.531 1.848 -10.577 1.00 0.00 C ATOM 915 CG MET A 65 2.986 2.122 -10.193 1.00 0.00 C ATOM 916 SD MET A 65 3.255 1.701 -8.479 1.00 0.00 S ATOM 917 CE MET A 65 4.962 2.193 -8.304 1.00 0.00 C ATOM 0 H MET A 65 0.032 3.703 -11.815 1.00 0.00 H new ATOM 0 HA MET A 65 2.240 1.896 -12.616 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.872 2.505 -10.010 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.267 0.825 -10.310 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.654 1.540 -10.828 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.223 3.173 -10.359 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.575 1.314 -8.105 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.299 2.670 -9.224 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.055 2.895 -7.476 1.00 0.00 H new ATOM 927 N LEU A 66 0.712 0.203 -13.488 1.00 0.00 N ATOM 928 CA LEU A 66 -0.168 -0.802 -14.060 1.00 0.00 C ATOM 929 C LEU A 66 -0.538 -1.822 -12.982 1.00 0.00 C ATOM 930 O LEU A 66 0.226 -2.046 -12.045 1.00 0.00 O ATOM 931 CB LEU A 66 0.468 -1.424 -15.305 1.00 0.00 C ATOM 932 CG LEU A 66 1.044 -0.442 -16.327 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.351 -0.972 -16.920 1.00 0.00 C ATOM 934 CD2 LEU A 66 0.015 -0.112 -17.410 1.00 0.00 C ATOM 0 H LEU A 66 1.670 0.180 -13.837 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.098 -0.346 -14.400 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.266 -2.094 -14.985 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.282 -2.038 -15.804 1.00 0.00 H new ATOM 0 HG LEU A 66 1.279 0.489 -15.812 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.739 -0.255 -17.643 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.081 -1.115 -16.123 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.165 -1.924 -17.417 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.450 0.588 -18.124 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.274 -1.026 -17.928 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.865 0.338 -16.951 1.00 0.00 H new ATOM 946 N HIS A 67 -1.711 -2.415 -13.152 1.00 0.00 N ATOM 947 CA HIS A 67 -2.192 -3.406 -12.205 1.00 0.00 C ATOM 948 C HIS A 67 -1.132 -4.493 -12.016 1.00 0.00 C ATOM 949 O HIS A 67 -1.134 -5.200 -11.010 1.00 0.00 O ATOM 950 CB HIS A 67 -3.545 -3.969 -12.647 1.00 0.00 C ATOM 951 CG HIS A 67 -4.272 -4.737 -11.570 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.253 -4.169 -10.776 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.153 -6.035 -11.166 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.696 -5.091 -9.934 1.00 0.00 C ATOM 955 NE2 HIS A 67 -5.012 -6.247 -10.177 1.00 0.00 N ATOM 0 H HIS A 67 -2.342 -2.228 -13.931 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.358 -2.936 -11.236 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.177 -3.147 -12.982 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.392 -4.623 -13.505 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.580 -3.204 -10.830 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.475 -6.766 -11.581 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.463 -4.952 -9.187 1.00 0.00 H new ATOM 963 N ALA A 68 -0.250 -4.591 -13.001 1.00 0.00 N ATOM 964 CA ALA A 68 0.814 -5.580 -12.956 1.00 0.00 C ATOM 965 C ALA A 68 2.064 -4.949 -12.338 1.00 0.00 C ATOM 966 O ALA A 68 2.885 -5.645 -11.743 1.00 0.00 O ATOM 967 CB ALA A 68 1.069 -6.120 -14.365 1.00 0.00 C ATOM 0 H ALA A 68 -0.251 -4.002 -13.834 1.00 0.00 H new ATOM 0 HA ALA A 68 0.527 -6.425 -12.330 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.867 -6.862 -14.331 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.159 -6.583 -14.747 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.363 -5.301 -15.021 1.00 0.00 H new ATOM 973 N GLU A 69 2.168 -3.638 -12.500 1.00 0.00 N ATOM 974 CA GLU A 69 3.304 -2.906 -11.965 1.00 0.00 C ATOM 975 C GLU A 69 3.232 -2.858 -10.437 1.00 0.00 C ATOM 976 O GLU A 69 4.142 -3.326 -9.755 1.00 0.00 O ATOM 977 CB GLU A 69 3.375 -1.497 -12.556 1.00 0.00 C ATOM 978 CG GLU A 69 3.792 -1.539 -14.027 1.00 0.00 C ATOM 979 CD GLU A 69 5.175 -0.916 -14.223 1.00 0.00 C ATOM 980 OE1 GLU A 69 5.218 0.317 -14.429 1.00 0.00 O ATOM 981 OE2 GLU A 69 6.159 -1.685 -14.162 1.00 0.00 O ATOM 0 H GLU A 69 1.485 -3.064 -12.994 1.00 0.00 H new ATOM 0 HA GLU A 69 4.217 -3.430 -12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.404 -1.011 -12.464 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.087 -0.897 -11.990 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.801 -2.571 -14.377 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.059 -1.004 -14.632 1.00 0.00 H new ATOM 988 N ALA A 70 2.142 -2.286 -9.946 1.00 0.00 N ATOM 989 CA ALA A 70 1.941 -2.171 -8.511 1.00 0.00 C ATOM 990 C ALA A 70 1.981 -3.564 -7.881 1.00 0.00 C ATOM 991 O ALA A 70 2.457 -3.728 -6.758 1.00 0.00 O ATOM 992 CB ALA A 70 0.622 -1.445 -8.238 1.00 0.00 C ATOM 0 H ALA A 70 1.390 -1.898 -10.515 1.00 0.00 H new ATOM 0 HA ALA A 70 2.738 -1.582 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.470 -1.358 -7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.656 -0.450 -8.681 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.201 -2.009 -8.676 1.00 0.00 H new ATOM 998 N GLN A 71 1.475 -4.532 -8.630 1.00 0.00 N ATOM 999 CA GLN A 71 1.447 -5.906 -8.158 1.00 0.00 C ATOM 1000 C GLN A 71 2.870 -6.455 -8.037 1.00 0.00 C ATOM 1001 O GLN A 71 3.219 -7.069 -7.030 1.00 0.00 O ATOM 1002 CB GLN A 71 0.598 -6.785 -9.079 1.00 0.00 C ATOM 1003 CG GLN A 71 -0.870 -6.771 -8.649 1.00 0.00 C ATOM 1004 CD GLN A 71 -1.036 -7.356 -7.244 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -0.117 -7.906 -6.661 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.256 -7.207 -6.737 1.00 0.00 N ATOM 0 H GLN A 71 1.081 -4.392 -9.560 1.00 0.00 H new ATOM 0 HA GLN A 71 0.987 -5.920 -7.170 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.683 -6.431 -10.106 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.976 -7.807 -9.062 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.248 -5.749 -8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.466 -7.345 -9.359 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.980 -6.736 -7.280 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.468 -7.564 -5.805 1.00 0.00 H new ATOM 1015 N SER A 72 3.655 -6.213 -9.077 1.00 0.00 N ATOM 1016 CA SER A 72 5.032 -6.675 -9.099 1.00 0.00 C ATOM 1017 C SER A 72 5.833 -5.986 -7.992 1.00 0.00 C ATOM 1018 O SER A 72 6.398 -6.650 -7.125 1.00 0.00 O ATOM 1019 CB SER A 72 5.678 -6.415 -10.462 1.00 0.00 C ATOM 1020 OG SER A 72 6.996 -6.952 -10.538 1.00 0.00 O ATOM 0 H SER A 72 3.363 -5.703 -9.911 1.00 0.00 H new ATOM 0 HA SER A 72 5.035 -7.751 -8.925 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.061 -6.855 -11.246 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.712 -5.342 -10.648 1.00 0.00 H new ATOM 0 HG SER A 72 7.374 -6.767 -11.423 1.00 0.00 H new ATOM 1026 N LYS A 73 5.856 -4.663 -8.058 1.00 0.00 N ATOM 1027 CA LYS A 73 6.578 -3.877 -7.073 1.00 0.00 C ATOM 1028 C LYS A 73 6.255 -4.401 -5.672 1.00 0.00 C ATOM 1029 O LYS A 73 7.152 -4.806 -4.935 1.00 0.00 O ATOM 1030 CB LYS A 73 6.283 -2.387 -7.255 1.00 0.00 C ATOM 1031 CG LYS A 73 7.400 -1.699 -8.043 1.00 0.00 C ATOM 1032 CD LYS A 73 6.878 -1.163 -9.378 1.00 0.00 C ATOM 1033 CE LYS A 73 7.723 0.017 -9.863 1.00 0.00 C ATOM 1034 NZ LYS A 73 6.972 0.821 -10.853 1.00 0.00 N ATOM 0 H LYS A 73 5.386 -4.116 -8.779 1.00 0.00 H new ATOM 0 HA LYS A 73 7.653 -3.985 -7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.334 -2.262 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.175 -1.912 -6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.814 -0.880 -7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.211 -2.404 -8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.894 -1.957 -10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.840 -0.850 -9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.004 0.643 -9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.647 -0.349 -10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.469 1.719 -11.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.902 0.294 -11.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.017 1.015 -10.490 1.00 0.00 H new ATOM 1048 N ILE A 74 4.970 -4.376 -5.348 1.00 0.00 N ATOM 1049 CA ILE A 74 4.517 -4.844 -4.049 1.00 0.00 C ATOM 1050 C ILE A 74 5.105 -6.230 -3.777 1.00 0.00 C ATOM 1051 O ILE A 74 5.671 -6.470 -2.712 1.00 0.00 O ATOM 1052 CB ILE A 74 2.990 -4.796 -3.965 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.508 -3.410 -3.529 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.456 -5.902 -3.053 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.137 -3.093 -4.128 1.00 0.00 C ATOM 0 H ILE A 74 4.229 -4.039 -5.962 1.00 0.00 H new ATOM 0 HA ILE A 74 4.877 -4.184 -3.260 1.00 0.00 H new ATOM 0 HB ILE A 74 2.587 -4.978 -4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.453 -3.366 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.229 -2.655 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.368 -5.845 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.754 -6.874 -3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.865 -5.776 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.818 -2.103 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.202 -3.114 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.413 -3.836 -3.793 1.00 0.00 H new ATOM 1067 N ARG A 75 4.950 -7.106 -4.759 1.00 0.00 N ATOM 1068 CA ARG A 75 5.458 -8.462 -4.640 1.00 0.00 C ATOM 1069 C ARG A 75 6.976 -8.445 -4.447 1.00 0.00 C ATOM 1070 O ARG A 75 7.520 -9.265 -3.709 1.00 0.00 O ATOM 1071 CB ARG A 75 5.118 -9.289 -5.881 1.00 0.00 C ATOM 1072 CG ARG A 75 5.069 -10.782 -5.549 1.00 0.00 C ATOM 1073 CD ARG A 75 6.032 -11.573 -6.437 1.00 0.00 C ATOM 1074 NE ARG A 75 6.896 -12.437 -5.603 1.00 0.00 N ATOM 1075 CZ ARG A 75 7.866 -13.224 -6.090 1.00 0.00 C ATOM 1076 NH1 ARG A 75 8.101 -13.259 -7.409 1.00 0.00 N ATOM 1077 NH2 ARG A 75 8.601 -13.974 -5.258 1.00 0.00 N ATOM 0 H ARG A 75 4.480 -6.903 -5.641 1.00 0.00 H new ATOM 0 HA ARG A 75 4.983 -8.919 -3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.156 -8.970 -6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.862 -9.110 -6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.327 -10.934 -4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.054 -11.155 -5.685 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.470 -12.182 -7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.645 -10.888 -7.023 1.00 0.00 H new ATOM 0 HE ARG A 75 6.744 -12.434 -4.594 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.542 -12.687 -8.042 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.839 -13.858 -7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.423 -13.946 -4.254 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.339 -14.573 -5.628 1.00 0.00 H new ATOM 1091 N GLN A 76 7.616 -7.502 -5.123 1.00 0.00 N ATOM 1092 CA GLN A 76 9.060 -7.367 -5.035 1.00 0.00 C ATOM 1093 C GLN A 76 9.431 -6.287 -4.017 1.00 0.00 C ATOM 1094 O GLN A 76 10.511 -5.703 -4.093 1.00 0.00 O ATOM 1095 CB GLN A 76 9.666 -7.061 -6.405 1.00 0.00 C ATOM 1096 CG GLN A 76 9.165 -8.049 -7.460 1.00 0.00 C ATOM 1097 CD GLN A 76 10.324 -8.849 -8.058 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.188 -9.355 -7.360 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.296 -8.934 -9.385 1.00 0.00 N ATOM 0 H GLN A 76 7.161 -6.824 -5.734 1.00 0.00 H new ATOM 0 HA GLN A 76 9.474 -8.316 -4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.408 -6.045 -6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.753 -7.109 -6.344 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.442 -8.730 -7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.645 -7.509 -8.251 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.544 -8.487 -9.909 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.027 -9.446 -9.879 1.00 0.00 H new ATOM 1108 N SER A 77 8.516 -6.055 -3.088 1.00 0.00 N ATOM 1109 CA SER A 77 8.733 -5.055 -2.056 1.00 0.00 C ATOM 1110 C SER A 77 9.202 -5.729 -0.765 1.00 0.00 C ATOM 1111 O SER A 77 8.507 -6.586 -0.221 1.00 0.00 O ATOM 1112 CB SER A 77 7.463 -4.242 -1.800 1.00 0.00 C ATOM 1113 OG SER A 77 7.694 -2.840 -1.912 1.00 0.00 O ATOM 0 H SER A 77 7.622 -6.542 -3.028 1.00 0.00 H new ATOM 0 HA SER A 77 9.506 -4.369 -2.402 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.692 -4.540 -2.511 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.083 -4.468 -0.804 1.00 0.00 H new ATOM 0 HG SER A 77 7.029 -2.446 -2.515 1.00 0.00 H new ATOM 1119 N ALA A 78 10.376 -5.316 -0.312 1.00 0.00 N ATOM 1120 CA ALA A 78 10.945 -5.869 0.905 1.00 0.00 C ATOM 1121 C ALA A 78 10.291 -5.203 2.118 1.00 0.00 C ATOM 1122 O ALA A 78 9.535 -4.244 1.971 1.00 0.00 O ATOM 1123 CB ALA A 78 12.464 -5.686 0.888 1.00 0.00 C ATOM 0 H ALA A 78 10.949 -4.605 -0.766 1.00 0.00 H new ATOM 0 HA ALA A 78 10.746 -6.939 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.891 -6.101 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.883 -6.202 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.702 -4.624 0.826 1.00 0.00 H new ATOM 1129 N SER A 79 10.606 -5.738 3.288 1.00 0.00 N ATOM 1130 CA SER A 79 10.058 -5.207 4.525 1.00 0.00 C ATOM 1131 C SER A 79 11.102 -4.338 5.229 1.00 0.00 C ATOM 1132 O SER A 79 12.284 -4.679 5.254 1.00 0.00 O ATOM 1133 CB SER A 79 9.594 -6.334 5.450 1.00 0.00 C ATOM 1134 OG SER A 79 9.173 -5.843 6.720 1.00 0.00 O ATOM 0 H SER A 79 11.233 -6.533 3.406 1.00 0.00 H new ATOM 0 HA SER A 79 9.190 -4.594 4.280 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.772 -6.874 4.980 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.407 -7.047 5.588 1.00 0.00 H new ATOM 0 HG SER A 79 9.035 -6.596 7.332 1.00 0.00 H new ATOM 1140 N PRO A 80 10.616 -3.204 5.799 1.00 0.00 N ATOM 1141 CA PRO A 80 9.202 -2.875 5.724 1.00 0.00 C ATOM 1142 C PRO A 80 8.830 -2.374 4.327 1.00 0.00 C ATOM 1143 O PRO A 80 9.699 -1.971 3.555 1.00 0.00 O ATOM 1144 CB PRO A 80 8.983 -1.831 6.806 1.00 0.00 C ATOM 1145 CG PRO A 80 10.359 -1.275 7.135 1.00 0.00 C ATOM 1146 CD PRO A 80 11.395 -2.207 6.528 1.00 0.00 C ATOM 0 HA PRO A 80 8.559 -3.740 5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.316 -1.042 6.458 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.520 -2.274 7.688 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.470 -0.268 6.734 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.494 -1.205 8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.070 -1.669 5.863 1.00 0.00 H new ATOM 0 HD3 PRO A 80 12.010 -2.671 7.299 1.00 0.00 H new ATOM 1154 N LEU A 81 7.536 -2.417 4.043 1.00 0.00 N ATOM 1155 CA LEU A 81 7.038 -1.973 2.752 1.00 0.00 C ATOM 1156 C LEU A 81 6.253 -0.672 2.934 1.00 0.00 C ATOM 1157 O LEU A 81 5.115 -0.689 3.400 1.00 0.00 O ATOM 1158 CB LEU A 81 6.235 -3.086 2.076 1.00 0.00 C ATOM 1159 CG LEU A 81 5.183 -2.633 1.061 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.843 -2.042 -0.186 1.00 0.00 C ATOM 1161 CD2 LEU A 81 4.226 -3.776 0.717 1.00 0.00 C ATOM 0 H LEU A 81 6.818 -2.752 4.685 1.00 0.00 H new ATOM 0 HA LEU A 81 7.867 -1.755 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.932 -3.755 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.737 -3.669 2.850 1.00 0.00 H new ATOM 0 HG LEU A 81 4.588 -1.841 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.073 -1.728 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.449 -1.181 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.478 -2.795 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.488 -3.428 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.789 -4.606 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.718 -4.110 1.622 1.00 0.00 H new ATOM 1173 N ARG A 82 6.893 0.425 2.556 1.00 0.00 N ATOM 1174 CA ARG A 82 6.269 1.732 2.671 1.00 0.00 C ATOM 1175 C ARG A 82 5.269 1.945 1.533 1.00 0.00 C ATOM 1176 O ARG A 82 5.574 1.667 0.374 1.00 0.00 O ATOM 1177 CB ARG A 82 7.317 2.847 2.635 1.00 0.00 C ATOM 1178 CG ARG A 82 7.266 3.688 3.913 1.00 0.00 C ATOM 1179 CD ARG A 82 7.995 5.019 3.722 1.00 0.00 C ATOM 1180 NE ARG A 82 8.297 5.624 5.039 1.00 0.00 N ATOM 1181 CZ ARG A 82 8.830 6.843 5.201 1.00 0.00 C ATOM 1182 NH1 ARG A 82 9.122 7.594 4.131 1.00 0.00 N ATOM 1183 NH2 ARG A 82 9.070 7.310 6.434 1.00 0.00 N ATOM 0 H ARG A 82 7.837 0.435 2.170 1.00 0.00 H new ATOM 0 HA ARG A 82 5.748 1.768 3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.311 2.414 2.520 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.145 3.485 1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.228 3.874 4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.720 3.135 4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.918 4.861 3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.380 5.699 3.133 1.00 0.00 H new ATOM 0 HE ARG A 82 8.086 5.079 5.875 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.939 7.238 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.528 8.522 4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.847 6.738 7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.476 8.238 6.558 1.00 0.00 H new ATOM 1197 N LEU A 83 4.096 2.437 1.903 1.00 0.00 N ATOM 1198 CA LEU A 83 3.049 2.690 0.928 1.00 0.00 C ATOM 1199 C LEU A 83 2.332 3.994 1.283 1.00 0.00 C ATOM 1200 O LEU A 83 1.771 4.122 2.370 1.00 0.00 O ATOM 1201 CB LEU A 83 2.114 1.484 0.819 1.00 0.00 C ATOM 1202 CG LEU A 83 2.693 0.247 0.129 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.771 -0.961 0.306 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.989 0.530 -1.345 1.00 0.00 C ATOM 0 H LEU A 83 3.847 2.667 2.865 1.00 0.00 H new ATOM 0 HA LEU A 83 3.478 2.821 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.799 1.201 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.218 1.791 0.279 1.00 0.00 H new ATOM 0 HG LEU A 83 3.641 0.002 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.206 -1.827 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.653 -1.176 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.796 -0.742 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.400 -0.365 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.068 0.814 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.711 1.343 -1.422 1.00 0.00 H new ATOM 1216 N GLN A 84 2.373 4.929 0.345 1.00 0.00 N ATOM 1217 CA GLN A 84 1.734 6.219 0.546 1.00 0.00 C ATOM 1218 C GLN A 84 0.267 6.156 0.117 1.00 0.00 C ATOM 1219 O GLN A 84 -0.033 5.900 -1.048 1.00 0.00 O ATOM 1220 CB GLN A 84 2.479 7.323 -0.208 1.00 0.00 C ATOM 1221 CG GLN A 84 2.203 8.693 0.414 1.00 0.00 C ATOM 1222 CD GLN A 84 2.830 9.811 -0.422 1.00 0.00 C ATOM 1223 OE1 GLN A 84 4.034 9.878 -0.612 1.00 0.00 O ATOM 1224 NE2 GLN A 84 1.951 10.682 -0.908 1.00 0.00 N ATOM 0 H GLN A 84 2.839 4.819 -0.556 1.00 0.00 H new ATOM 0 HA GLN A 84 1.772 6.461 1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.550 7.121 -0.191 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.171 7.326 -1.254 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.127 8.851 0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.603 8.724 1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.957 10.567 -0.711 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.271 11.465 -1.478 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.609 6.395 1.082 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.038 6.369 0.819 1.00 0.00 C ATOM 1235 C LEU A 85 -2.569 7.803 0.767 1.00 0.00 C ATOM 1236 O LEU A 85 -2.114 8.665 1.518 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.755 5.485 1.841 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.047 4.179 2.212 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.804 3.441 3.318 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.835 3.301 0.978 1.00 0.00 C ATOM 0 H LEU A 85 -0.357 6.608 2.047 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.238 5.919 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.905 6.065 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.743 5.241 1.451 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.060 4.424 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.280 2.517 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.860 4.073 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.812 3.207 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.330 2.380 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.800 3.061 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.223 3.836 0.252 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.524 8.015 -0.126 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.121 9.329 -0.286 1.00 0.00 C ATOM 1254 C ASP A 86 -5.459 9.370 0.455 1.00 0.00 C ATOM 1255 O ASP A 86 -6.466 8.872 -0.047 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.387 9.638 -1.761 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.997 11.049 -2.207 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -4.731 11.987 -1.829 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -2.973 11.156 -2.915 1.00 0.00 O ATOM 0 H ASP A 86 -3.899 7.298 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.426 10.066 0.117 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.843 8.917 -2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.448 9.490 -1.962 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.427 9.968 1.637 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.625 10.080 2.451 1.00 0.00 C ATOM 1266 C ARG A 87 -7.085 11.538 2.521 1.00 0.00 C ATOM 1267 O ARG A 87 -6.484 12.349 3.223 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.377 9.563 3.869 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.636 8.907 4.441 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.370 8.332 5.834 1.00 0.00 C ATOM 1271 NE ARG A 87 -7.667 9.350 6.867 1.00 0.00 N ATOM 1272 CZ ARG A 87 -7.816 9.077 8.170 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -7.697 7.816 8.608 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -8.084 10.064 9.036 1.00 0.00 N ATOM 0 H ARG A 87 -4.590 10.380 2.050 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.401 9.472 1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.559 8.842 3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.068 10.387 4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.441 9.640 4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.972 8.113 3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.987 7.448 5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.330 8.014 5.913 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.764 10.320 6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.493 7.064 7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.810 7.608 9.600 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.175 11.024 8.703 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.197 9.855 10.028 1.00 0.00 H new ATOM 1288 N SER A 88 -8.147 11.826 1.783 1.00 0.00 N ATOM 1289 CA SER A 88 -8.695 13.171 1.752 1.00 0.00 C ATOM 1290 C SER A 88 -10.201 13.130 2.018 1.00 0.00 C ATOM 1291 O SER A 88 -10.997 13.049 1.084 1.00 0.00 O ATOM 1292 CB SER A 88 -8.411 13.851 0.411 1.00 0.00 C ATOM 1293 OG SER A 88 -7.466 14.910 0.539 1.00 0.00 O ATOM 0 H SER A 88 -8.643 11.150 1.202 1.00 0.00 H new ATOM 0 HA SER A 88 -8.211 13.755 2.535 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.035 13.113 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.341 14.243 -0.001 1.00 0.00 H new ATOM 0 HG SER A 88 -7.310 15.317 -0.339 1.00 0.00 H new ATOM 1299 N SER A 89 -10.546 13.186 3.296 1.00 0.00 N ATOM 1300 CA SER A 89 -11.943 13.156 3.696 1.00 0.00 C ATOM 1301 C SER A 89 -12.104 13.788 5.080 1.00 0.00 C ATOM 1302 O SER A 89 -11.128 13.951 5.810 1.00 0.00 O ATOM 1303 CB SER A 89 -12.484 11.725 3.700 1.00 0.00 C ATOM 1304 OG SER A 89 -13.836 11.664 3.254 1.00 0.00 O ATOM 0 H SER A 89 -9.883 13.252 4.068 1.00 0.00 H new ATOM 0 HA SER A 89 -12.519 13.731 2.971 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.862 11.101 3.058 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.416 11.314 4.707 1.00 0.00 H new ATOM 0 HG SER A 89 -14.144 10.734 3.269 1.00 0.00 H new ATOM 1310 N GLY A 90 -13.345 14.127 5.399 1.00 0.00 N ATOM 1311 CA GLY A 90 -13.647 14.738 6.683 1.00 0.00 C ATOM 1312 C GLY A 90 -15.021 14.295 7.191 1.00 0.00 C ATOM 1313 O GLY A 90 -15.920 14.018 6.398 1.00 0.00 O ATOM 0 H GLY A 90 -14.152 13.990 4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -12.881 14.465 7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -13.623 15.824 6.588 1.00 0.00 H new ATOM 1317 N PRO A 91 -15.143 14.241 8.544 1.00 0.00 N ATOM 1318 CA PRO A 91 -16.392 13.837 9.167 1.00 0.00 C ATOM 1319 C PRO A 91 -17.433 14.955 9.083 1.00 0.00 C ATOM 1320 O PRO A 91 -17.118 16.073 8.677 1.00 0.00 O ATOM 1321 CB PRO A 91 -16.020 13.478 10.596 1.00 0.00 C ATOM 1322 CG PRO A 91 -14.673 14.133 10.854 1.00 0.00 C ATOM 1323 CD PRO A 91 -14.099 14.562 9.513 1.00 0.00 C ATOM 0 HA PRO A 91 -16.858 12.989 8.665 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -16.771 13.840 11.298 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -15.959 12.397 10.724 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -14.787 14.993 11.513 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -13.999 13.436 11.353 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -13.865 15.626 9.505 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -13.174 14.030 9.290 1.00 0.00 H new ATOM 1331 N SER A 92 -18.653 14.614 9.472 1.00 0.00 N ATOM 1332 CA SER A 92 -19.743 15.575 9.446 1.00 0.00 C ATOM 1333 C SER A 92 -19.651 16.436 8.184 1.00 0.00 C ATOM 1334 O SER A 92 -18.995 17.476 8.184 1.00 0.00 O ATOM 1335 CB SER A 92 -19.727 16.460 10.694 1.00 0.00 C ATOM 1336 OG SER A 92 -20.753 16.102 11.615 1.00 0.00 O ATOM 0 H SER A 92 -18.911 13.686 9.807 1.00 0.00 H new ATOM 0 HA SER A 92 -20.684 15.025 9.436 1.00 0.00 H new ATOM 0 HB2 SER A 92 -18.756 16.379 11.183 1.00 0.00 H new ATOM 0 HB3 SER A 92 -19.851 17.503 10.401 1.00 0.00 H new ATOM 0 HG SER A 92 -20.708 16.689 12.399 1.00 0.00 H new ATOM 1342 N SER A 93 -20.320 15.970 7.139 1.00 0.00 N ATOM 1343 CA SER A 93 -20.322 16.684 5.874 1.00 0.00 C ATOM 1344 C SER A 93 -20.948 18.068 6.055 1.00 0.00 C ATOM 1345 O SER A 93 -21.987 18.204 6.698 1.00 0.00 O ATOM 1346 CB SER A 93 -21.076 15.897 4.799 1.00 0.00 C ATOM 1347 OG SER A 93 -20.917 16.473 3.506 1.00 0.00 O ATOM 0 H SER A 93 -20.864 15.107 7.143 1.00 0.00 H new ATOM 0 HA SER A 93 -19.289 16.800 5.545 1.00 0.00 H new ATOM 0 HB2 SER A 93 -20.717 14.868 4.784 1.00 0.00 H new ATOM 0 HB3 SER A 93 -22.136 15.861 5.052 1.00 0.00 H new ATOM 0 HG SER A 93 -21.411 15.941 2.848 1.00 0.00 H new ATOM 1353 N GLY A 94 -20.288 19.061 5.477 1.00 0.00 N ATOM 1354 CA GLY A 94 -20.766 20.430 5.566 1.00 0.00 C ATOM 1355 C GLY A 94 -21.046 21.005 4.177 1.00 0.00 C ATOM 1356 O GLY A 94 -20.232 21.749 3.633 1.00 0.00 O ATOM 0 H GLY A 94 -19.426 18.944 4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -21.675 20.463 6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.024 21.045 6.075 1.00 0.00 H new TER 1360 GLY A 94