USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 748 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 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 43 TYR OH : rot 46:sc= 0.414 USER MOD Set 2.2: A 78 TYR OH : rot -38:sc= 0.0085 USER MOD Set 3.1: A 42 CYS SG : rot 11:sc= 0.655 USER MOD Set 3.2: A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -53:sc= 0.227 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.689 USER MOD Single : A 33 SER OG : rot -160:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.645 K(o=-0.64,f=-2.5!) USER MOD Single : A 46 ASN : amide:sc=-0.00781 X(o=-0.0078,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.176 K(o=-0.18,f=-2.4!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.165 K(o=-0.16,f=-1.5) USER MOD Single : A 73 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.059) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 2:sc= 1.24 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0232 K(o=-0.023,f=-0.95) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 68:sc= -3.15! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.255 -17.113 -1.334 1.00 0.00 N ATOM 2 CA GLY A 1 24.159 -16.440 -2.248 1.00 0.00 C ATOM 3 C GLY A 1 25.441 -15.994 -1.573 1.00 0.00 C ATOM 4 O GLY A 1 26.399 -16.761 -1.478 1.00 0.00 O ATOM 0 H1 GLY A 1 22.394 -17.398 -1.844 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.721 -17.957 -0.943 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.001 -16.468 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.401 -17.109 -3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.657 -15.573 -2.677 1.00 0.00 H new ATOM 8 N SER A 2 25.459 -14.751 -1.103 1.00 0.00 N ATOM 9 CA SER A 2 26.635 -14.203 -0.438 1.00 0.00 C ATOM 10 C SER A 2 27.845 -14.227 -1.366 1.00 0.00 C ATOM 11 O SER A 2 28.954 -14.563 -0.951 1.00 0.00 O ATOM 12 CB SER A 2 26.940 -14.992 0.837 1.00 0.00 C ATOM 13 OG SER A 2 27.884 -14.310 1.645 1.00 0.00 O ATOM 0 H SER A 2 24.673 -14.105 -1.170 1.00 0.00 H new ATOM 0 HA SER A 2 26.423 -13.167 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.020 -15.149 1.400 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.325 -15.978 0.575 1.00 0.00 H new ATOM 0 HG SER A 2 28.676 -14.094 1.110 1.00 0.00 H new ATOM 19 N SER A 3 27.623 -13.867 -2.626 1.00 0.00 N ATOM 20 CA SER A 3 28.694 -13.850 -3.616 1.00 0.00 C ATOM 21 C SER A 3 29.340 -12.470 -3.695 1.00 0.00 C ATOM 22 O SER A 3 30.563 -12.343 -3.680 1.00 0.00 O ATOM 23 CB SER A 3 28.153 -14.252 -4.990 1.00 0.00 C ATOM 24 OG SER A 3 29.206 -14.616 -5.866 1.00 0.00 O ATOM 0 H SER A 3 26.712 -13.583 -2.986 1.00 0.00 H new ATOM 0 HA SER A 3 29.452 -14.569 -3.307 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.461 -15.087 -4.882 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.589 -13.424 -5.419 1.00 0.00 H new ATOM 0 HG SER A 3 28.834 -14.870 -6.736 1.00 0.00 H new ATOM 30 N GLY A 4 28.506 -11.438 -3.779 1.00 0.00 N ATOM 31 CA GLY A 4 29.013 -10.080 -3.859 1.00 0.00 C ATOM 32 C GLY A 4 28.973 -9.367 -2.523 1.00 0.00 C ATOM 33 O GLY A 4 29.676 -9.747 -1.587 1.00 0.00 O ATOM 0 H GLY A 4 27.489 -11.518 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.039 -10.100 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.425 -9.518 -4.585 1.00 0.00 H new ATOM 37 N SER A 5 28.150 -8.327 -2.433 1.00 0.00 N ATOM 38 CA SER A 5 28.025 -7.555 -1.202 1.00 0.00 C ATOM 39 C SER A 5 27.051 -8.224 -0.237 1.00 0.00 C ATOM 40 O SER A 5 26.170 -8.978 -0.651 1.00 0.00 O ATOM 41 CB SER A 5 27.557 -6.132 -1.513 1.00 0.00 C ATOM 42 OG SER A 5 27.999 -5.221 -0.522 1.00 0.00 O ATOM 0 H SER A 5 27.560 -8.000 -3.198 1.00 0.00 H new ATOM 0 HA SER A 5 29.006 -7.512 -0.728 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.937 -5.826 -2.488 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.469 -6.109 -1.573 1.00 0.00 H new ATOM 0 HG SER A 5 27.688 -4.319 -0.745 1.00 0.00 H new ATOM 48 N SER A 6 27.216 -7.941 1.051 1.00 0.00 N ATOM 49 CA SER A 6 26.354 -8.518 2.076 1.00 0.00 C ATOM 50 C SER A 6 25.402 -7.467 2.640 1.00 0.00 C ATOM 51 O SER A 6 25.619 -6.267 2.479 1.00 0.00 O ATOM 52 CB SER A 6 27.197 -9.116 3.204 1.00 0.00 C ATOM 53 OG SER A 6 27.830 -8.099 3.962 1.00 0.00 O ATOM 0 H SER A 6 27.938 -7.316 1.410 1.00 0.00 H new ATOM 0 HA SER A 6 25.763 -9.309 1.615 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.564 -9.719 3.855 1.00 0.00 H new ATOM 0 HB3 SER A 6 27.950 -9.784 2.785 1.00 0.00 H new ATOM 0 HG SER A 6 28.361 -8.507 4.677 1.00 0.00 H new ATOM 59 N GLY A 7 24.346 -7.929 3.303 1.00 0.00 N ATOM 60 CA GLY A 7 23.376 -7.017 3.881 1.00 0.00 C ATOM 61 C GLY A 7 22.254 -6.679 2.920 1.00 0.00 C ATOM 62 O GLY A 7 22.218 -5.600 2.327 1.00 0.00 O ATOM 0 H GLY A 7 24.145 -8.918 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.956 -7.462 4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.880 -6.099 4.183 1.00 0.00 H new ATOM 66 N PRO A 8 21.310 -7.617 2.753 1.00 0.00 N ATOM 67 CA PRO A 8 20.164 -7.437 1.856 1.00 0.00 C ATOM 68 C PRO A 8 19.178 -6.398 2.378 1.00 0.00 C ATOM 69 O PRO A 8 19.120 -6.130 3.579 1.00 0.00 O ATOM 70 CB PRO A 8 19.516 -8.823 1.826 1.00 0.00 C ATOM 71 CG PRO A 8 19.917 -9.457 3.113 1.00 0.00 C ATOM 72 CD PRO A 8 21.289 -8.927 3.426 1.00 0.00 C ATOM 0 HA PRO A 8 20.467 -7.073 0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 8 18.432 -8.751 1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 8 19.865 -9.405 0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 8 19.212 -9.209 3.907 1.00 0.00 H new ATOM 0 HG3 PRO A 8 19.929 -10.543 3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 8 21.447 -8.830 4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 8 22.070 -9.586 3.047 1.00 0.00 H new ATOM 80 N VAL A 9 18.402 -5.816 1.469 1.00 0.00 N ATOM 81 CA VAL A 9 17.416 -4.807 1.839 1.00 0.00 C ATOM 82 C VAL A 9 16.410 -5.363 2.841 1.00 0.00 C ATOM 83 O VAL A 9 15.774 -6.388 2.594 1.00 0.00 O ATOM 84 CB VAL A 9 16.659 -4.284 0.604 1.00 0.00 C ATOM 85 CG1 VAL A 9 15.790 -3.092 0.976 1.00 0.00 C ATOM 86 CG2 VAL A 9 17.635 -3.918 -0.504 1.00 0.00 C ATOM 0 H VAL A 9 18.437 -6.026 0.471 1.00 0.00 H new ATOM 0 HA VAL A 9 17.962 -3.983 2.297 1.00 0.00 H new ATOM 0 HB VAL A 9 16.008 -5.077 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.263 -2.736 0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.066 -3.392 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.418 -2.293 1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.083 -3.550 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.313 -3.142 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 9 18.210 -4.799 -0.788 1.00 0.00 H new ATOM 96 N ARG A 10 16.271 -4.680 3.972 1.00 0.00 N ATOM 97 CA ARG A 10 15.342 -5.106 5.012 1.00 0.00 C ATOM 98 C ARG A 10 14.149 -4.159 5.096 1.00 0.00 C ATOM 99 O ARG A 10 14.072 -3.173 4.364 1.00 0.00 O ATOM 100 CB ARG A 10 16.053 -5.169 6.365 1.00 0.00 C ATOM 101 CG ARG A 10 16.704 -6.513 6.650 1.00 0.00 C ATOM 102 CD ARG A 10 17.781 -6.396 7.716 1.00 0.00 C ATOM 103 NE ARG A 10 18.364 -7.692 8.050 1.00 0.00 N ATOM 104 CZ ARG A 10 17.757 -8.598 8.808 1.00 0.00 C ATOM 105 NH1 ARG A 10 16.554 -8.350 9.308 1.00 0.00 N ATOM 106 NH2 ARG A 10 18.352 -9.755 9.067 1.00 0.00 N ATOM 0 H ARG A 10 16.790 -3.830 4.192 1.00 0.00 H new ATOM 0 HA ARG A 10 14.977 -6.100 4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.815 -4.391 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.334 -4.949 7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.945 -7.224 6.975 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.140 -6.909 5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.566 -5.725 7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.355 -5.948 8.614 1.00 0.00 H new ATOM 0 HE ARG A 10 19.289 -7.914 7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.093 -7.462 9.111 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.090 -9.047 9.890 1.00 0.00 H new ATOM 0 HH21 ARG A 10 19.277 -9.950 8.684 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.885 -10.450 9.649 1.00 0.00 H new ATOM 120 N PHE A 11 13.218 -4.467 5.994 1.00 0.00 N ATOM 121 CA PHE A 11 12.027 -3.644 6.173 1.00 0.00 C ATOM 122 C PHE A 11 12.094 -2.869 7.486 1.00 0.00 C ATOM 123 O PHE A 11 11.596 -3.327 8.514 1.00 0.00 O ATOM 124 CB PHE A 11 10.771 -4.517 6.146 1.00 0.00 C ATOM 125 CG PHE A 11 10.194 -4.694 4.770 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.376 -3.722 4.217 1.00 0.00 C ATOM 127 CD2 PHE A 11 10.470 -5.833 4.030 1.00 0.00 C ATOM 128 CE1 PHE A 11 8.843 -3.884 2.952 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.941 -5.999 2.764 1.00 0.00 C ATOM 130 CZ PHE A 11 9.127 -5.023 2.224 1.00 0.00 C ATOM 0 H PHE A 11 13.265 -5.280 6.608 1.00 0.00 H new ATOM 0 HA PHE A 11 11.982 -2.929 5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.010 -5.497 6.560 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.015 -4.073 6.794 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.152 -2.828 4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.106 -6.600 4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.205 -3.120 2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.164 -6.891 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.713 -5.150 1.235 1.00 0.00 H new ATOM 140 N GLN A 12 12.713 -1.694 7.442 1.00 0.00 N ATOM 141 CA GLN A 12 12.845 -0.856 8.627 1.00 0.00 C ATOM 142 C GLN A 12 11.482 -0.370 9.106 1.00 0.00 C ATOM 143 O GLN A 12 11.090 -0.616 10.246 1.00 0.00 O ATOM 144 CB GLN A 12 13.752 0.340 8.334 1.00 0.00 C ATOM 145 CG GLN A 12 13.899 1.295 9.507 1.00 0.00 C ATOM 146 CD GLN A 12 15.020 2.296 9.308 1.00 0.00 C ATOM 147 OE1 GLN A 12 14.985 3.110 8.385 1.00 0.00 O ATOM 148 NE2 GLN A 12 16.024 2.241 10.176 1.00 0.00 N ATOM 0 H GLN A 12 13.131 -1.301 6.599 1.00 0.00 H new ATOM 0 HA GLN A 12 13.293 -1.458 9.417 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.738 -0.025 8.047 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.354 0.887 7.479 1.00 0.00 H new ATOM 0 HG2 GLN A 12 12.961 1.830 9.654 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.085 0.722 10.416 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.012 1.550 10.926 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.807 2.890 10.092 1.00 0.00 H new ATOM 157 N GLU A 13 10.763 0.322 8.226 1.00 0.00 N ATOM 158 CA GLU A 13 9.443 0.843 8.561 1.00 0.00 C ATOM 159 C GLU A 13 8.392 0.332 7.580 1.00 0.00 C ATOM 160 O GLU A 13 7.744 1.114 6.885 1.00 0.00 O ATOM 161 CB GLU A 13 9.459 2.373 8.557 1.00 0.00 C ATOM 162 CG GLU A 13 9.814 2.982 9.903 1.00 0.00 C ATOM 163 CD GLU A 13 9.042 2.355 11.048 1.00 0.00 C ATOM 164 OE1 GLU A 13 7.803 2.507 11.081 1.00 0.00 O ATOM 165 OE2 GLU A 13 9.676 1.713 11.911 1.00 0.00 O ATOM 0 H GLU A 13 11.072 0.534 7.278 1.00 0.00 H new ATOM 0 HA GLU A 13 9.184 0.492 9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.175 2.718 7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.479 2.737 8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.883 2.862 10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.613 4.053 9.878 1.00 0.00 H new ATOM 172 N ALA A 14 8.229 -0.986 7.531 1.00 0.00 N ATOM 173 CA ALA A 14 7.256 -1.602 6.637 1.00 0.00 C ATOM 174 C ALA A 14 5.878 -0.970 6.805 1.00 0.00 C ATOM 175 O ALA A 14 5.711 -0.014 7.565 1.00 0.00 O ATOM 176 CB ALA A 14 7.185 -3.101 6.887 1.00 0.00 C ATOM 0 H ALA A 14 8.758 -1.647 8.100 1.00 0.00 H new ATOM 0 HA ALA A 14 7.583 -1.431 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.455 -3.548 6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.164 -3.546 6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.886 -3.284 7.919 1.00 0.00 H new ATOM 182 N LEU A 15 4.895 -1.507 6.092 1.00 0.00 N ATOM 183 CA LEU A 15 3.531 -0.995 6.162 1.00 0.00 C ATOM 184 C LEU A 15 2.906 -1.294 7.521 1.00 0.00 C ATOM 185 O LEU A 15 3.333 -2.209 8.225 1.00 0.00 O ATOM 186 CB LEU A 15 2.677 -1.607 5.050 1.00 0.00 C ATOM 187 CG LEU A 15 3.148 -1.340 3.619 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.490 -2.312 2.652 1.00 0.00 C ATOM 189 CD2 LEU A 15 2.849 0.098 3.219 1.00 0.00 C ATOM 0 H LEU A 15 5.017 -2.297 5.458 1.00 0.00 H new ATOM 0 HA LEU A 15 3.568 0.086 6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.636 -2.685 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.659 -1.231 5.152 1.00 0.00 H new ATOM 0 HG LEU A 15 4.227 -1.491 3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.836 -2.108 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.754 -3.333 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.407 -2.193 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.191 0.270 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.775 0.276 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.367 0.779 3.895 1.00 0.00 H new ATOM 201 N LYS A 16 1.890 -0.517 7.883 1.00 0.00 N ATOM 202 CA LYS A 16 1.203 -0.699 9.156 1.00 0.00 C ATOM 203 C LYS A 16 -0.305 -0.545 8.987 1.00 0.00 C ATOM 204 O LYS A 16 -0.778 -0.074 7.952 1.00 0.00 O ATOM 205 CB LYS A 16 1.717 0.309 10.186 1.00 0.00 C ATOM 206 CG LYS A 16 1.343 1.746 9.870 1.00 0.00 C ATOM 207 CD LYS A 16 2.026 2.721 10.814 1.00 0.00 C ATOM 208 CE LYS A 16 1.237 2.893 12.103 1.00 0.00 C ATOM 209 NZ LYS A 16 1.490 4.218 12.735 1.00 0.00 N ATOM 0 H LYS A 16 1.524 0.245 7.312 1.00 0.00 H new ATOM 0 HA LYS A 16 1.410 -1.709 9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.321 0.047 11.167 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.802 0.230 10.249 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.622 1.978 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.262 1.866 9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.029 2.363 11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.138 3.688 10.323 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.172 2.787 11.894 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.505 2.100 12.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.934 4.297 13.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.502 4.309 12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.211 4.975 12.079 1.00 0.00 H new ATOM 223 N ASP A 17 -1.054 -0.942 10.009 1.00 0.00 N ATOM 224 CA ASP A 17 -2.509 -0.845 9.974 1.00 0.00 C ATOM 225 C ASP A 17 -2.952 0.598 9.755 1.00 0.00 C ATOM 226 O ASP A 17 -2.368 1.530 10.309 1.00 0.00 O ATOM 227 CB ASP A 17 -3.109 -1.383 11.274 1.00 0.00 C ATOM 228 CG ASP A 17 -4.511 -1.928 11.083 1.00 0.00 C ATOM 229 OD1 ASP A 17 -4.795 -2.462 9.991 1.00 0.00 O ATOM 230 OD2 ASP A 17 -5.323 -1.819 12.025 1.00 0.00 O ATOM 0 H ASP A 17 -0.678 -1.334 10.872 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.868 -1.448 9.140 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.467 -2.171 11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.130 -0.587 12.018 1.00 0.00 H new ATOM 235 N LEU A 18 -3.988 0.776 8.942 1.00 0.00 N ATOM 236 CA LEU A 18 -4.509 2.107 8.647 1.00 0.00 C ATOM 237 C LEU A 18 -5.994 2.196 8.984 1.00 0.00 C ATOM 238 O LEU A 18 -6.730 1.219 8.851 1.00 0.00 O ATOM 239 CB LEU A 18 -4.288 2.448 7.173 1.00 0.00 C ATOM 240 CG LEU A 18 -2.840 2.710 6.755 1.00 0.00 C ATOM 241 CD1 LEU A 18 -2.791 3.378 5.390 1.00 0.00 C ATOM 242 CD2 LEU A 18 -2.131 3.564 7.795 1.00 0.00 C ATOM 0 H LEU A 18 -4.484 0.016 8.476 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.971 2.826 9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.677 1.628 6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.880 3.331 6.932 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.323 1.753 6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.753 3.557 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.260 2.729 4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.324 4.328 5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.102 3.740 7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.648 4.518 7.896 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.134 3.046 8.754 1.00 0.00 H new ATOM 254 N GLU A 19 -6.428 3.376 9.418 1.00 0.00 N ATOM 255 CA GLU A 19 -7.826 3.592 9.772 1.00 0.00 C ATOM 256 C GLU A 19 -8.398 4.791 9.021 1.00 0.00 C ATOM 257 O GLU A 19 -8.009 5.934 9.266 1.00 0.00 O ATOM 258 CB GLU A 19 -7.966 3.806 11.280 1.00 0.00 C ATOM 259 CG GLU A 19 -8.188 2.521 12.059 1.00 0.00 C ATOM 260 CD GLU A 19 -7.639 2.591 13.471 1.00 0.00 C ATOM 261 OE1 GLU A 19 -6.594 3.245 13.669 1.00 0.00 O ATOM 262 OE2 GLU A 19 -8.255 1.992 14.377 1.00 0.00 O ATOM 0 H GLU A 19 -5.832 4.196 9.533 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.389 2.704 9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.067 4.297 11.654 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.800 4.483 11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.256 2.305 12.099 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.715 1.694 11.530 1.00 0.00 H new ATOM 269 N VAL A 20 -9.322 4.523 8.105 1.00 0.00 N ATOM 270 CA VAL A 20 -9.949 5.579 7.319 1.00 0.00 C ATOM 271 C VAL A 20 -11.420 5.274 7.062 1.00 0.00 C ATOM 272 O VAL A 20 -11.832 4.113 7.051 1.00 0.00 O ATOM 273 CB VAL A 20 -9.233 5.773 5.969 1.00 0.00 C ATOM 274 CG1 VAL A 20 -9.344 7.219 5.508 1.00 0.00 C ATOM 275 CG2 VAL A 20 -7.776 5.349 6.073 1.00 0.00 C ATOM 0 H VAL A 20 -9.654 3.583 7.888 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.868 6.497 7.901 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.720 5.141 5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.832 7.337 4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.395 7.484 5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.884 7.873 6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.286 5.493 5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.274 5.953 6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.722 4.297 6.354 1.00 0.00 H new ATOM 285 N LEU A 21 -12.208 6.323 6.855 1.00 0.00 N ATOM 286 CA LEU A 21 -13.636 6.168 6.597 1.00 0.00 C ATOM 287 C LEU A 21 -13.910 6.056 5.101 1.00 0.00 C ATOM 288 O LEU A 21 -13.373 6.823 4.303 1.00 0.00 O ATOM 289 CB LEU A 21 -14.411 7.350 7.182 1.00 0.00 C ATOM 290 CG LEU A 21 -15.916 7.144 7.360 1.00 0.00 C ATOM 291 CD1 LEU A 21 -16.211 6.505 8.708 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.655 8.467 7.221 1.00 0.00 C ATOM 0 H LEU A 21 -11.883 7.290 6.861 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.969 5.249 7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.981 7.596 8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.257 8.215 6.537 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.267 6.471 6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.287 6.366 8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.712 5.538 8.769 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.846 7.153 9.505 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.725 8.302 7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.301 9.163 7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.470 8.885 6.232 1.00 0.00 H new ATOM 304 N GLU A 22 -14.751 5.096 4.729 1.00 0.00 N ATOM 305 CA GLU A 22 -15.098 4.885 3.328 1.00 0.00 C ATOM 306 C GLU A 22 -15.404 6.211 2.638 1.00 0.00 C ATOM 307 O GLU A 22 -15.596 7.234 3.293 1.00 0.00 O ATOM 308 CB GLU A 22 -16.301 3.947 3.213 1.00 0.00 C ATOM 309 CG GLU A 22 -17.636 4.641 3.425 1.00 0.00 C ATOM 310 CD GLU A 22 -18.002 5.564 2.278 1.00 0.00 C ATOM 311 OE1 GLU A 22 -18.205 5.060 1.154 1.00 0.00 O ATOM 312 OE2 GLU A 22 -18.085 6.789 2.505 1.00 0.00 O ATOM 0 H GLU A 22 -15.204 4.452 5.378 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.242 4.427 2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.295 3.482 2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.197 3.146 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.417 3.890 3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.600 5.215 4.351 1.00 0.00 H new ATOM 319 N GLY A 23 -15.448 6.184 1.309 1.00 0.00 N ATOM 320 CA GLY A 23 -15.730 7.389 0.552 1.00 0.00 C ATOM 321 C GLY A 23 -14.558 8.349 0.531 1.00 0.00 C ATOM 322 O GLY A 23 -14.720 9.532 0.236 1.00 0.00 O ATOM 0 H GLY A 23 -15.293 5.349 0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.992 7.119 -0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.598 7.889 0.982 1.00 0.00 H new ATOM 326 N GLY A 24 -13.371 7.839 0.848 1.00 0.00 N ATOM 327 CA GLY A 24 -12.184 8.674 0.860 1.00 0.00 C ATOM 328 C GLY A 24 -11.016 8.032 0.139 1.00 0.00 C ATOM 329 O GLY A 24 -11.198 7.362 -0.877 1.00 0.00 O ATOM 0 H GLY A 24 -13.211 6.863 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.413 9.632 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.900 8.882 1.892 1.00 0.00 H new ATOM 333 N ALA A 25 -9.813 8.238 0.664 1.00 0.00 N ATOM 334 CA ALA A 25 -8.610 7.673 0.064 1.00 0.00 C ATOM 335 C ALA A 25 -7.676 7.112 1.130 1.00 0.00 C ATOM 336 O ALA A 25 -7.758 7.486 2.300 1.00 0.00 O ATOM 337 CB ALA A 25 -7.892 8.726 -0.768 1.00 0.00 C ATOM 0 H ALA A 25 -9.645 8.792 1.504 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.910 6.852 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.996 8.291 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.554 9.077 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.612 9.565 -0.131 1.00 0.00 H new ATOM 343 N ALA A 26 -6.790 6.211 0.719 1.00 0.00 N ATOM 344 CA ALA A 26 -5.839 5.599 1.639 1.00 0.00 C ATOM 345 C ALA A 26 -4.406 5.783 1.151 1.00 0.00 C ATOM 346 O ALA A 26 -4.043 5.324 0.068 1.00 0.00 O ATOM 347 CB ALA A 26 -6.153 4.120 1.815 1.00 0.00 C ATOM 0 H ALA A 26 -6.711 5.889 -0.245 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.933 6.097 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.435 3.675 2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.160 4.007 2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.089 3.617 0.850 1.00 0.00 H new ATOM 353 N THR A 27 -3.594 6.460 1.958 1.00 0.00 N ATOM 354 CA THR A 27 -2.201 6.707 1.608 1.00 0.00 C ATOM 355 C THR A 27 -1.259 5.935 2.524 1.00 0.00 C ATOM 356 O THR A 27 -0.996 6.351 3.654 1.00 0.00 O ATOM 357 CB THR A 27 -1.860 8.207 1.685 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.528 8.916 0.636 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.359 8.427 1.577 1.00 0.00 C ATOM 0 H THR A 27 -3.878 6.847 2.858 1.00 0.00 H new ATOM 0 HA THR A 27 -2.067 6.364 0.582 1.00 0.00 H new ATOM 0 HB THR A 27 -2.198 8.585 2.650 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.307 9.869 0.693 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.143 9.494 1.634 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.144 7.911 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.001 8.035 0.625 1.00 0.00 H new ATOM 367 N LEU A 28 -0.752 4.810 2.032 1.00 0.00 N ATOM 368 CA LEU A 28 0.163 3.980 2.807 1.00 0.00 C ATOM 369 C LEU A 28 1.596 4.489 2.685 1.00 0.00 C ATOM 370 O LEU A 28 1.959 5.121 1.693 1.00 0.00 O ATOM 371 CB LEU A 28 0.085 2.526 2.338 1.00 0.00 C ATOM 372 CG LEU A 28 -1.248 1.815 2.575 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.193 2.052 1.408 1.00 0.00 C ATOM 374 CD2 LEU A 28 -1.026 0.325 2.791 1.00 0.00 C ATOM 0 H LEU A 28 -0.959 4.452 1.100 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.135 4.034 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.305 2.497 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.870 1.961 2.840 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.704 2.228 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.136 1.539 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.377 3.121 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.744 1.666 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.985 -0.165 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.548 -0.103 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.385 0.175 3.660 1.00 0.00 H new ATOM 386 N ARG A 29 2.407 4.208 3.700 1.00 0.00 N ATOM 387 CA ARG A 29 3.800 4.636 3.707 1.00 0.00 C ATOM 388 C ARG A 29 4.705 3.535 4.251 1.00 0.00 C ATOM 389 O ARG A 29 4.324 2.797 5.160 1.00 0.00 O ATOM 390 CB ARG A 29 3.962 5.905 4.546 1.00 0.00 C ATOM 391 CG ARG A 29 3.782 7.188 3.751 1.00 0.00 C ATOM 392 CD ARG A 29 4.408 8.377 4.462 1.00 0.00 C ATOM 393 NE ARG A 29 3.477 9.012 5.391 1.00 0.00 N ATOM 394 CZ ARG A 29 3.774 10.091 6.107 1.00 0.00 C ATOM 395 NH1 ARG A 29 4.971 10.651 6.002 1.00 0.00 N ATOM 396 NH2 ARG A 29 2.873 10.610 6.931 1.00 0.00 N ATOM 0 H ARG A 29 2.123 3.685 4.528 1.00 0.00 H new ATOM 0 HA ARG A 29 4.093 4.848 2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.237 5.887 5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.952 5.906 5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.234 7.073 2.766 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.719 7.374 3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.294 8.049 5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.738 9.108 3.724 1.00 0.00 H new ATOM 0 HE ARG A 29 2.548 8.605 5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.666 10.254 5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.197 11.479 6.553 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.952 10.181 7.015 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.102 11.438 7.480 1.00 0.00 H new ATOM 410 N CYS A 30 5.904 3.430 3.689 1.00 0.00 N ATOM 411 CA CYS A 30 6.864 2.418 4.117 1.00 0.00 C ATOM 412 C CYS A 30 8.270 2.767 3.641 1.00 0.00 C ATOM 413 O CYS A 30 8.501 2.972 2.450 1.00 0.00 O ATOM 414 CB CYS A 30 6.458 1.043 3.583 1.00 0.00 C ATOM 415 SG CYS A 30 5.900 1.054 1.863 1.00 0.00 S ATOM 0 H CYS A 30 6.235 4.033 2.936 1.00 0.00 H new ATOM 0 HA CYS A 30 6.865 2.391 5.207 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.306 0.365 3.674 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.661 0.643 4.210 1.00 0.00 H new ATOM 0 HG CYS A 30 5.581 -0.154 1.502 1.00 0.00 H new ATOM 421 N VAL A 31 9.208 2.833 4.582 1.00 0.00 N ATOM 422 CA VAL A 31 10.592 3.157 4.259 1.00 0.00 C ATOM 423 C VAL A 31 11.470 1.911 4.289 1.00 0.00 C ATOM 424 O VAL A 31 11.456 1.152 5.259 1.00 0.00 O ATOM 425 CB VAL A 31 11.166 4.200 5.237 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.575 4.599 4.825 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.258 5.418 5.310 1.00 0.00 C ATOM 0 H VAL A 31 9.034 2.666 5.573 1.00 0.00 H new ATOM 0 HA VAL A 31 10.593 3.574 3.252 1.00 0.00 H new ATOM 0 HB VAL A 31 11.216 3.753 6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.964 5.336 5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.218 3.719 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.553 5.028 3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.679 6.144 6.005 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.174 5.869 4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.270 5.115 5.656 1.00 0.00 H new ATOM 437 N LEU A 32 12.233 1.706 3.221 1.00 0.00 N ATOM 438 CA LEU A 32 13.119 0.552 3.124 1.00 0.00 C ATOM 439 C LEU A 32 14.489 0.865 3.716 1.00 0.00 C ATOM 440 O LEU A 32 15.063 1.922 3.453 1.00 0.00 O ATOM 441 CB LEU A 32 13.268 0.120 1.665 1.00 0.00 C ATOM 442 CG LEU A 32 11.969 -0.037 0.874 1.00 0.00 C ATOM 443 CD1 LEU A 32 12.211 0.210 -0.606 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.373 -1.419 1.096 1.00 0.00 C ATOM 0 H LEU A 32 12.256 2.324 2.410 1.00 0.00 H new ATOM 0 HA LEU A 32 12.675 -0.264 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.895 0.850 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.801 -0.830 1.641 1.00 0.00 H new ATOM 0 HG LEU A 32 11.256 0.706 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.275 0.094 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.591 1.222 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.941 -0.508 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.449 -1.513 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.082 -2.178 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.160 -1.558 2.156 1.00 0.00 H new ATOM 456 N SER A 33 15.009 -0.060 4.516 1.00 0.00 N ATOM 457 CA SER A 33 16.312 0.118 5.147 1.00 0.00 C ATOM 458 C SER A 33 17.281 0.821 4.201 1.00 0.00 C ATOM 459 O SER A 33 18.065 1.673 4.619 1.00 0.00 O ATOM 460 CB SER A 33 16.886 -1.235 5.572 1.00 0.00 C ATOM 461 OG SER A 33 16.361 -1.641 6.824 1.00 0.00 O ATOM 0 H SER A 33 14.548 -0.941 4.743 1.00 0.00 H new ATOM 0 HA SER A 33 16.178 0.741 6.031 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.654 -1.985 4.816 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.972 -1.170 5.634 1.00 0.00 H new ATOM 0 HG SER A 33 16.950 -2.316 7.222 1.00 0.00 H new ATOM 467 N SER A 34 17.222 0.455 2.925 1.00 0.00 N ATOM 468 CA SER A 34 18.097 1.047 1.919 1.00 0.00 C ATOM 469 C SER A 34 17.305 1.448 0.678 1.00 0.00 C ATOM 470 O SER A 34 16.120 1.137 0.557 1.00 0.00 O ATOM 471 CB SER A 34 19.205 0.064 1.536 1.00 0.00 C ATOM 472 OG SER A 34 19.842 -0.461 2.687 1.00 0.00 O ATOM 0 H SER A 34 16.578 -0.248 2.563 1.00 0.00 H new ATOM 0 HA SER A 34 18.547 1.943 2.346 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.785 -0.750 0.946 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.940 0.567 0.907 1.00 0.00 H new ATOM 0 HG SER A 34 20.545 -1.087 2.415 1.00 0.00 H new ATOM 478 N VAL A 35 17.970 2.140 -0.242 1.00 0.00 N ATOM 479 CA VAL A 35 17.330 2.583 -1.475 1.00 0.00 C ATOM 480 C VAL A 35 17.514 1.559 -2.589 1.00 0.00 C ATOM 481 O VAL A 35 18.621 1.365 -3.091 1.00 0.00 O ATOM 482 CB VAL A 35 17.891 3.940 -1.942 1.00 0.00 C ATOM 483 CG1 VAL A 35 17.119 4.450 -3.149 1.00 0.00 C ATOM 484 CG2 VAL A 35 17.851 4.952 -0.807 1.00 0.00 C ATOM 0 H VAL A 35 18.951 2.406 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 35 16.267 2.692 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 35 18.931 3.801 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.529 5.409 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 35 17.204 3.733 -3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 35 16.069 4.574 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.251 5.905 -1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.821 5.089 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.452 4.588 0.026 1.00 0.00 H new ATOM 494 N ALA A 36 16.422 0.906 -2.971 1.00 0.00 N ATOM 495 CA ALA A 36 16.462 -0.097 -4.027 1.00 0.00 C ATOM 496 C ALA A 36 15.233 0.002 -4.926 1.00 0.00 C ATOM 497 O ALA A 36 14.140 0.327 -4.464 1.00 0.00 O ATOM 498 CB ALA A 36 16.568 -1.492 -3.428 1.00 0.00 C ATOM 0 H ALA A 36 15.498 1.054 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 36 17.344 0.092 -4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.597 -2.231 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.479 -1.565 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.704 -1.681 -2.791 1.00 0.00 H new ATOM 504 N ALA A 37 15.422 -0.278 -6.211 1.00 0.00 N ATOM 505 CA ALA A 37 14.329 -0.222 -7.174 1.00 0.00 C ATOM 506 C ALA A 37 14.749 -0.809 -8.517 1.00 0.00 C ATOM 507 O ALA A 37 15.930 -1.038 -8.779 1.00 0.00 O ATOM 508 CB ALA A 37 13.853 1.213 -7.348 1.00 0.00 C ATOM 0 H ALA A 37 16.322 -0.546 -6.609 1.00 0.00 H new ATOM 0 HA ALA A 37 13.506 -0.822 -6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.037 1.241 -8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.504 1.599 -6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.677 1.828 -7.709 1.00 0.00 H new ATOM 514 N PRO A 38 13.761 -1.059 -9.389 1.00 0.00 N ATOM 515 CA PRO A 38 12.352 -0.791 -9.088 1.00 0.00 C ATOM 516 C PRO A 38 11.794 -1.741 -8.033 1.00 0.00 C ATOM 517 O PRO A 38 12.436 -2.725 -7.668 1.00 0.00 O ATOM 518 CB PRO A 38 11.653 -1.014 -10.431 1.00 0.00 C ATOM 519 CG PRO A 38 12.543 -1.954 -11.169 1.00 0.00 C ATOM 520 CD PRO A 38 13.944 -1.624 -10.737 1.00 0.00 C ATOM 0 HA PRO A 38 12.206 0.208 -8.677 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.658 -1.436 -10.294 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.530 -0.077 -10.974 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.296 -2.990 -10.935 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.429 -1.835 -12.246 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.578 -2.510 -10.719 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.415 -0.909 -11.412 1.00 0.00 H new ATOM 528 N VAL A 39 10.594 -1.439 -7.547 1.00 0.00 N ATOM 529 CA VAL A 39 9.949 -2.266 -6.535 1.00 0.00 C ATOM 530 C VAL A 39 8.704 -2.947 -7.093 1.00 0.00 C ATOM 531 O VAL A 39 8.154 -2.522 -8.109 1.00 0.00 O ATOM 532 CB VAL A 39 9.556 -1.437 -5.298 1.00 0.00 C ATOM 533 CG1 VAL A 39 9.062 -2.344 -4.181 1.00 0.00 C ATOM 534 CG2 VAL A 39 10.731 -0.591 -4.829 1.00 0.00 C ATOM 0 H VAL A 39 10.049 -0.627 -7.838 1.00 0.00 H new ATOM 0 HA VAL A 39 10.673 -3.025 -6.239 1.00 0.00 H new ATOM 0 HB VAL A 39 8.742 -0.767 -5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.789 -1.740 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.190 -2.902 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.852 -3.041 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.436 -0.012 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.566 -1.241 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 39 11.033 0.086 -5.628 1.00 0.00 H new ATOM 544 N LYS A 40 8.264 -4.005 -6.422 1.00 0.00 N ATOM 545 CA LYS A 40 7.082 -4.745 -6.848 1.00 0.00 C ATOM 546 C LYS A 40 5.916 -4.504 -5.895 1.00 0.00 C ATOM 547 O LYS A 40 6.107 -4.372 -4.686 1.00 0.00 O ATOM 548 CB LYS A 40 7.392 -6.242 -6.924 1.00 0.00 C ATOM 549 CG LYS A 40 6.353 -7.040 -7.694 1.00 0.00 C ATOM 550 CD LYS A 40 6.552 -6.912 -9.195 1.00 0.00 C ATOM 551 CE LYS A 40 5.675 -7.894 -9.958 1.00 0.00 C ATOM 552 NZ LYS A 40 6.215 -8.179 -11.316 1.00 0.00 N ATOM 0 H LYS A 40 8.709 -4.370 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 40 6.798 -4.388 -7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.366 -6.379 -7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.468 -6.641 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.412 -8.090 -7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.355 -6.692 -7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.319 -5.894 -9.509 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.599 -7.090 -9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.597 -8.824 -9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.667 -7.489 -10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.590 -8.852 -11.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.266 -7.295 -11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.167 -8.589 -11.232 1.00 0.00 H new ATOM 566 N TRP A 41 4.709 -4.450 -6.446 1.00 0.00 N ATOM 567 CA TRP A 41 3.511 -4.227 -5.644 1.00 0.00 C ATOM 568 C TRP A 41 2.451 -5.280 -5.944 1.00 0.00 C ATOM 569 O TRP A 41 1.771 -5.215 -6.969 1.00 0.00 O ATOM 570 CB TRP A 41 2.949 -2.829 -5.908 1.00 0.00 C ATOM 571 CG TRP A 41 3.587 -1.764 -5.068 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.755 -1.106 -5.327 1.00 0.00 C ATOM 573 CD2 TRP A 41 3.092 -1.237 -3.832 1.00 0.00 C ATOM 574 NE1 TRP A 41 5.016 -0.201 -4.327 1.00 0.00 N ATOM 575 CE2 TRP A 41 4.010 -0.261 -3.398 1.00 0.00 C ATOM 576 CE3 TRP A 41 1.962 -1.493 -3.051 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.832 0.456 -2.218 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.786 -0.780 -1.880 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.717 0.186 -1.473 1.00 0.00 C ATOM 0 H TRP A 41 4.534 -4.558 -7.445 1.00 0.00 H new ATOM 0 HA TRP A 41 3.787 -4.307 -4.593 1.00 0.00 H new ATOM 0 HB2 TRP A 41 3.087 -2.583 -6.961 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.875 -2.835 -5.720 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.381 -1.273 -6.191 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.827 0.416 -4.283 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.239 -2.235 -3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.549 1.199 -1.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.917 -0.970 -1.268 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.551 0.727 -0.553 1.00 0.00 H new ATOM 590 N CYS A 42 2.315 -6.249 -5.046 1.00 0.00 N ATOM 591 CA CYS A 42 1.336 -7.318 -5.216 1.00 0.00 C ATOM 592 C CYS A 42 0.287 -7.275 -4.109 1.00 0.00 C ATOM 593 O CYS A 42 0.621 -7.188 -2.927 1.00 0.00 O ATOM 594 CB CYS A 42 2.032 -8.679 -5.224 1.00 0.00 C ATOM 595 SG CYS A 42 2.636 -9.209 -3.604 1.00 0.00 S ATOM 0 H CYS A 42 2.870 -6.317 -4.193 1.00 0.00 H new ATOM 0 HA CYS A 42 0.835 -7.170 -6.172 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.337 -9.428 -5.604 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.871 -8.642 -5.918 1.00 0.00 H new ATOM 0 HG CYS A 42 2.157 -8.425 -2.684 1.00 0.00 H new ATOM 601 N TYR A 43 -0.981 -7.336 -4.500 1.00 0.00 N ATOM 602 CA TYR A 43 -2.078 -7.301 -3.541 1.00 0.00 C ATOM 603 C TYR A 43 -3.133 -8.349 -3.882 1.00 0.00 C ATOM 604 O TYR A 43 -3.802 -8.262 -4.911 1.00 0.00 O ATOM 605 CB TYR A 43 -2.716 -5.910 -3.515 1.00 0.00 C ATOM 606 CG TYR A 43 -4.166 -5.917 -3.087 1.00 0.00 C ATOM 607 CD1 TYR A 43 -4.526 -6.251 -1.788 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.176 -5.587 -3.982 1.00 0.00 C ATOM 609 CE1 TYR A 43 -5.850 -6.259 -1.393 1.00 0.00 C ATOM 610 CE2 TYR A 43 -6.502 -5.590 -3.596 1.00 0.00 C ATOM 611 CZ TYR A 43 -6.834 -5.928 -2.300 1.00 0.00 C ATOM 612 OH TYR A 43 -8.154 -5.933 -1.910 1.00 0.00 O ATOM 0 H TYR A 43 -1.274 -7.410 -5.474 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.672 -7.527 -2.555 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.149 -5.272 -2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.641 -5.466 -4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.758 -6.509 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.920 -5.323 -4.998 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.113 -6.523 -0.379 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.275 -5.329 -4.304 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.243 -5.470 -1.051 1.00 0.00 H new ATOM 622 N GLY A 44 -3.276 -9.341 -3.008 1.00 0.00 N ATOM 623 CA GLY A 44 -4.251 -10.393 -3.232 1.00 0.00 C ATOM 624 C GLY A 44 -3.919 -11.242 -4.443 1.00 0.00 C ATOM 625 O GLY A 44 -3.169 -12.212 -4.342 1.00 0.00 O ATOM 0 H GLY A 44 -2.734 -9.435 -2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.303 -11.030 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.237 -9.948 -3.363 1.00 0.00 H new ATOM 629 N ASN A 45 -4.480 -10.878 -5.591 1.00 0.00 N ATOM 630 CA ASN A 45 -4.241 -11.615 -6.827 1.00 0.00 C ATOM 631 C ASN A 45 -3.792 -10.677 -7.943 1.00 0.00 C ATOM 632 O ASN A 45 -2.702 -10.827 -8.493 1.00 0.00 O ATOM 633 CB ASN A 45 -5.506 -12.363 -7.252 1.00 0.00 C ATOM 634 CG ASN A 45 -5.341 -13.067 -8.585 1.00 0.00 C ATOM 635 OD1 ASN A 45 -4.243 -13.124 -9.138 1.00 0.00 O ATOM 636 ND2 ASN A 45 -6.436 -13.608 -9.107 1.00 0.00 N ATOM 0 H ASN A 45 -5.103 -10.077 -5.692 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.445 -12.336 -6.642 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.766 -13.095 -6.487 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.336 -11.660 -7.316 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.387 -14.095 -10.002 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.326 -13.536 -8.613 1.00 0.00 H new ATOM 643 N ASN A 46 -4.640 -9.707 -8.270 1.00 0.00 N ATOM 644 CA ASN A 46 -4.331 -8.743 -9.320 1.00 0.00 C ATOM 645 C ASN A 46 -3.138 -7.876 -8.928 1.00 0.00 C ATOM 646 O ASN A 46 -2.994 -7.485 -7.770 1.00 0.00 O ATOM 647 CB ASN A 46 -5.547 -7.859 -9.604 1.00 0.00 C ATOM 648 CG ASN A 46 -5.416 -7.098 -10.909 1.00 0.00 C ATOM 649 OD1 ASN A 46 -5.300 -5.873 -10.917 1.00 0.00 O ATOM 650 ND2 ASN A 46 -5.436 -7.824 -12.021 1.00 0.00 N ATOM 0 H ASN A 46 -5.546 -9.568 -7.823 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.074 -9.297 -10.223 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.443 -8.478 -9.636 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.678 -7.151 -8.785 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.353 -7.368 -12.930 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.534 -8.838 -11.966 1.00 0.00 H new ATOM 657 N VAL A 47 -2.284 -7.578 -9.903 1.00 0.00 N ATOM 658 CA VAL A 47 -1.105 -6.756 -9.661 1.00 0.00 C ATOM 659 C VAL A 47 -1.438 -5.272 -9.769 1.00 0.00 C ATOM 660 O VAL A 47 -2.111 -4.842 -10.707 1.00 0.00 O ATOM 661 CB VAL A 47 0.025 -7.091 -10.653 1.00 0.00 C ATOM 662 CG1 VAL A 47 1.327 -6.433 -10.222 1.00 0.00 C ATOM 663 CG2 VAL A 47 0.196 -8.597 -10.778 1.00 0.00 C ATOM 0 H VAL A 47 -2.387 -7.894 -10.867 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.767 -6.977 -8.648 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.247 -6.697 -11.632 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.113 -6.681 -10.935 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.195 -5.352 -10.189 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.607 -6.794 -9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.998 -8.815 -11.483 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.445 -9.017 -9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.733 -9.040 -11.137 1.00 0.00 H new ATOM 673 N LEU A 48 -0.962 -4.494 -8.804 1.00 0.00 N ATOM 674 CA LEU A 48 -1.209 -3.056 -8.789 1.00 0.00 C ATOM 675 C LEU A 48 -0.251 -2.330 -9.728 1.00 0.00 C ATOM 676 O LEU A 48 0.968 -2.433 -9.589 1.00 0.00 O ATOM 677 CB LEU A 48 -1.062 -2.507 -7.369 1.00 0.00 C ATOM 678 CG LEU A 48 -1.682 -3.352 -6.256 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.299 -2.802 -4.891 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.196 -3.404 -6.406 1.00 0.00 C ATOM 0 H LEU A 48 -0.403 -4.834 -8.022 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.229 -2.884 -9.134 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.000 -2.385 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.510 -1.514 -7.337 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.293 -4.367 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.750 -3.417 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.214 -2.818 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.658 -1.777 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.620 -4.010 -5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.602 -2.394 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.451 -3.846 -7.369 1.00 0.00 H new ATOM 692 N ARG A 49 -0.810 -1.594 -10.684 1.00 0.00 N ATOM 693 CA ARG A 49 -0.006 -0.850 -11.645 1.00 0.00 C ATOM 694 C ARG A 49 -0.400 0.624 -11.659 1.00 0.00 C ATOM 695 O ARG A 49 -1.533 0.991 -11.347 1.00 0.00 O ATOM 696 CB ARG A 49 -0.167 -1.445 -13.045 1.00 0.00 C ATOM 697 CG ARG A 49 0.468 -2.817 -13.201 1.00 0.00 C ATOM 698 CD ARG A 49 1.936 -2.712 -13.586 1.00 0.00 C ATOM 699 NE ARG A 49 2.109 -2.215 -14.949 1.00 0.00 N ATOM 700 CZ ARG A 49 3.291 -2.095 -15.542 1.00 0.00 C ATOM 701 NH1 ARG A 49 4.398 -2.435 -14.897 1.00 0.00 N ATOM 702 NH2 ARG A 49 3.368 -1.635 -16.785 1.00 0.00 N ATOM 0 H ARG A 49 -1.817 -1.498 -10.813 1.00 0.00 H new ATOM 0 HA ARG A 49 1.038 -0.926 -11.343 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.229 -1.517 -13.280 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.275 -0.765 -13.773 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.375 -3.371 -12.267 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.069 -3.383 -13.962 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.447 -2.047 -12.890 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.406 -3.691 -13.495 1.00 0.00 H new ATOM 0 HE ARG A 49 1.277 -1.946 -15.473 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.343 -2.790 -13.942 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.304 -2.342 -15.355 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.519 -1.373 -17.285 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.277 -1.543 -17.239 1.00 0.00 H new ATOM 716 N PRO A 50 0.556 1.489 -12.028 1.00 0.00 N ATOM 717 CA PRO A 50 0.332 2.937 -12.091 1.00 0.00 C ATOM 718 C PRO A 50 -0.602 3.330 -13.231 1.00 0.00 C ATOM 719 O PRO A 50 -0.405 2.923 -14.375 1.00 0.00 O ATOM 720 CB PRO A 50 1.734 3.502 -12.329 1.00 0.00 C ATOM 721 CG PRO A 50 2.482 2.396 -12.988 1.00 0.00 C ATOM 722 CD PRO A 50 1.928 1.121 -12.413 1.00 0.00 C ATOM 0 HA PRO A 50 -0.147 3.315 -11.188 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.701 4.389 -12.961 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.207 3.796 -11.392 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.350 2.426 -14.070 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.552 2.479 -12.795 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.937 0.313 -13.144 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.509 0.781 -11.555 1.00 0.00 H new ATOM 730 N GLY A 51 -1.619 4.124 -12.910 1.00 0.00 N ATOM 731 CA GLY A 51 -2.567 4.559 -13.919 1.00 0.00 C ATOM 732 C GLY A 51 -3.366 5.770 -13.480 1.00 0.00 C ATOM 733 O GLY A 51 -2.798 6.771 -13.041 1.00 0.00 O ATOM 0 H GLY A 51 -1.803 4.474 -11.970 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.031 4.795 -14.839 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.250 3.741 -14.148 1.00 0.00 H new ATOM 737 N ASP A 52 -4.686 5.681 -13.599 1.00 0.00 N ATOM 738 CA ASP A 52 -5.565 6.778 -13.211 1.00 0.00 C ATOM 739 C ASP A 52 -6.141 6.547 -11.818 1.00 0.00 C ATOM 740 O ASP A 52 -6.185 7.459 -10.993 1.00 0.00 O ATOM 741 CB ASP A 52 -6.698 6.935 -14.226 1.00 0.00 C ATOM 742 CG ASP A 52 -7.246 8.348 -14.268 1.00 0.00 C ATOM 743 OD1 ASP A 52 -6.502 9.261 -14.684 1.00 0.00 O ATOM 744 OD2 ASP A 52 -8.419 8.540 -13.887 1.00 0.00 O ATOM 0 H ASP A 52 -5.171 4.860 -13.961 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.975 7.694 -13.192 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.335 6.659 -15.216 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.503 6.243 -13.977 1.00 0.00 H new ATOM 749 N LYS A 53 -6.583 5.320 -11.562 1.00 0.00 N ATOM 750 CA LYS A 53 -7.157 4.967 -10.269 1.00 0.00 C ATOM 751 C LYS A 53 -6.086 4.962 -9.182 1.00 0.00 C ATOM 752 O LYS A 53 -6.178 5.703 -8.204 1.00 0.00 O ATOM 753 CB LYS A 53 -7.829 3.594 -10.344 1.00 0.00 C ATOM 754 CG LYS A 53 -9.005 3.440 -9.396 1.00 0.00 C ATOM 755 CD LYS A 53 -8.544 3.276 -7.957 1.00 0.00 C ATOM 756 CE LYS A 53 -8.284 1.816 -7.618 1.00 0.00 C ATOM 757 NZ LYS A 53 -9.543 1.090 -7.293 1.00 0.00 N ATOM 0 H LYS A 53 -6.555 4.553 -12.234 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.905 5.717 -10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.171 3.421 -11.365 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.090 2.824 -10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.653 4.313 -9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.599 2.575 -9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.635 3.855 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.301 3.678 -7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.791 1.330 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.601 1.756 -6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.324 0.099 -7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.001 1.538 -6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.185 1.125 -8.110 1.00 0.00 H new ATOM 771 N TYR A 54 -5.073 4.122 -9.361 1.00 0.00 N ATOM 772 CA TYR A 54 -3.985 4.020 -8.394 1.00 0.00 C ATOM 773 C TYR A 54 -2.901 5.054 -8.683 1.00 0.00 C ATOM 774 O TYR A 54 -2.829 5.603 -9.782 1.00 0.00 O ATOM 775 CB TYR A 54 -3.384 2.614 -8.418 1.00 0.00 C ATOM 776 CG TYR A 54 -4.417 1.512 -8.336 1.00 0.00 C ATOM 777 CD1 TYR A 54 -5.109 1.096 -9.466 1.00 0.00 C ATOM 778 CD2 TYR A 54 -4.700 0.888 -7.127 1.00 0.00 C ATOM 779 CE1 TYR A 54 -6.054 0.091 -9.396 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.642 -0.119 -7.048 1.00 0.00 C ATOM 781 CZ TYR A 54 -6.317 -0.514 -8.184 1.00 0.00 C ATOM 782 OH TYR A 54 -7.256 -1.517 -8.110 1.00 0.00 O ATOM 0 H TYR A 54 -4.982 3.502 -10.166 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.394 4.216 -7.403 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.806 2.491 -9.334 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.688 2.511 -7.585 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.905 1.567 -10.416 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.175 1.195 -6.235 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.584 -0.219 -10.284 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.849 -0.595 -6.101 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.320 -1.837 -7.186 1.00 0.00 H new ATOM 792 N SER A 55 -2.059 5.313 -7.688 1.00 0.00 N ATOM 793 CA SER A 55 -0.980 6.282 -7.832 1.00 0.00 C ATOM 794 C SER A 55 0.286 5.794 -7.134 1.00 0.00 C ATOM 795 O SER A 55 0.317 5.645 -5.912 1.00 0.00 O ATOM 796 CB SER A 55 -1.402 7.636 -7.259 1.00 0.00 C ATOM 797 OG SER A 55 -0.503 8.659 -7.651 1.00 0.00 O ATOM 0 H SER A 55 -2.104 4.865 -6.773 1.00 0.00 H new ATOM 0 HA SER A 55 -0.767 6.396 -8.895 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.408 7.881 -7.600 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.440 7.578 -6.171 1.00 0.00 H new ATOM 0 HG SER A 55 -0.796 9.514 -7.273 1.00 0.00 H new ATOM 803 N LEU A 56 1.328 5.546 -7.919 1.00 0.00 N ATOM 804 CA LEU A 56 2.599 5.074 -7.378 1.00 0.00 C ATOM 805 C LEU A 56 3.615 6.209 -7.306 1.00 0.00 C ATOM 806 O LEU A 56 3.899 6.865 -8.309 1.00 0.00 O ATOM 807 CB LEU A 56 3.149 3.934 -8.237 1.00 0.00 C ATOM 808 CG LEU A 56 2.537 2.554 -7.993 1.00 0.00 C ATOM 809 CD1 LEU A 56 3.024 1.980 -6.672 1.00 0.00 C ATOM 810 CD2 LEU A 56 1.018 2.633 -8.015 1.00 0.00 C ATOM 0 H LEU A 56 1.319 5.664 -8.932 1.00 0.00 H new ATOM 0 HA LEU A 56 2.422 4.706 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.004 4.193 -9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.224 3.867 -8.071 1.00 0.00 H new ATOM 0 HG LEU A 56 2.858 1.889 -8.795 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.578 0.998 -6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.110 1.886 -6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.734 2.644 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.600 1.642 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.678 3.314 -7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.687 3.000 -8.986 1.00 0.00 H new ATOM 822 N ARG A 57 4.161 6.433 -6.116 1.00 0.00 N ATOM 823 CA ARG A 57 5.147 7.488 -5.914 1.00 0.00 C ATOM 824 C ARG A 57 6.325 6.980 -5.088 1.00 0.00 C ATOM 825 O ARG A 57 6.141 6.413 -4.011 1.00 0.00 O ATOM 826 CB ARG A 57 4.504 8.690 -5.219 1.00 0.00 C ATOM 827 CG ARG A 57 3.579 9.491 -6.120 1.00 0.00 C ATOM 828 CD ARG A 57 2.881 10.604 -5.354 1.00 0.00 C ATOM 829 NE ARG A 57 3.678 11.827 -5.318 1.00 0.00 N ATOM 830 CZ ARG A 57 3.849 12.624 -6.366 1.00 0.00 C ATOM 831 NH1 ARG A 57 3.281 12.329 -7.527 1.00 0.00 N ATOM 832 NH2 ARG A 57 4.589 13.720 -6.255 1.00 0.00 N ATOM 0 H ARG A 57 3.938 5.898 -5.277 1.00 0.00 H new ATOM 0 HA ARG A 57 5.517 7.797 -6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.941 8.340 -4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.290 9.346 -4.844 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.151 9.918 -6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.834 8.828 -6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.917 10.813 -5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.680 10.272 -4.335 1.00 0.00 H new ATOM 0 HE ARG A 57 4.128 12.083 -4.439 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.711 11.488 -7.617 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.414 12.943 -8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.027 13.951 -5.364 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.719 14.331 -7.061 1.00 0.00 H new ATOM 846 N GLN A 58 7.534 7.187 -5.600 1.00 0.00 N ATOM 847 CA GLN A 58 8.741 6.749 -4.910 1.00 0.00 C ATOM 848 C GLN A 58 9.634 7.937 -4.568 1.00 0.00 C ATOM 849 O GLN A 58 9.877 8.804 -5.407 1.00 0.00 O ATOM 850 CB GLN A 58 9.512 5.748 -5.773 1.00 0.00 C ATOM 851 CG GLN A 58 10.824 5.295 -5.153 1.00 0.00 C ATOM 852 CD GLN A 58 11.866 4.931 -6.193 1.00 0.00 C ATOM 853 OE1 GLN A 58 11.666 5.145 -7.389 1.00 0.00 O ATOM 854 NE2 GLN A 58 12.985 4.378 -5.742 1.00 0.00 N ATOM 0 H GLN A 58 7.703 7.655 -6.490 1.00 0.00 H new ATOM 0 HA GLN A 58 8.442 6.263 -3.981 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.884 4.875 -5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.715 6.199 -6.744 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.214 6.089 -4.516 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.640 4.433 -4.511 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.108 4.219 -4.742 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.722 4.112 -6.395 1.00 0.00 H new ATOM 863 N GLU A 59 10.120 7.969 -3.331 1.00 0.00 N ATOM 864 CA GLU A 59 10.985 9.052 -2.879 1.00 0.00 C ATOM 865 C GLU A 59 12.185 8.505 -2.110 1.00 0.00 C ATOM 866 O GLU A 59 12.169 8.431 -0.882 1.00 0.00 O ATOM 867 CB GLU A 59 10.202 10.026 -1.996 1.00 0.00 C ATOM 868 CG GLU A 59 9.109 10.776 -2.739 1.00 0.00 C ATOM 869 CD GLU A 59 9.625 11.481 -3.979 1.00 0.00 C ATOM 870 OE1 GLU A 59 10.772 11.975 -3.946 1.00 0.00 O ATOM 871 OE2 GLU A 59 8.883 11.539 -4.981 1.00 0.00 O ATOM 0 H GLU A 59 9.930 7.258 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 59 11.349 9.582 -3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.755 9.475 -1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.895 10.747 -1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.323 10.077 -3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.657 11.509 -2.070 1.00 0.00 H new ATOM 878 N GLY A 60 13.225 8.121 -2.844 1.00 0.00 N ATOM 879 CA GLY A 60 14.418 7.585 -2.216 1.00 0.00 C ATOM 880 C GLY A 60 14.098 6.621 -1.090 1.00 0.00 C ATOM 881 O GLY A 60 13.887 7.036 0.049 1.00 0.00 O ATOM 0 H GLY A 60 13.262 8.172 -3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.022 7.075 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.020 8.406 -1.827 1.00 0.00 H new ATOM 885 N ALA A 61 14.061 5.332 -1.410 1.00 0.00 N ATOM 886 CA ALA A 61 13.764 4.307 -0.416 1.00 0.00 C ATOM 887 C ALA A 61 12.413 4.558 0.244 1.00 0.00 C ATOM 888 O ALA A 61 12.206 4.211 1.407 1.00 0.00 O ATOM 889 CB ALA A 61 14.865 4.255 0.633 1.00 0.00 C ATOM 0 H ALA A 61 14.233 4.972 -2.349 1.00 0.00 H new ATOM 0 HA ALA A 61 13.717 3.344 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.631 3.486 1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.815 4.020 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.940 5.222 1.130 1.00 0.00 H new ATOM 895 N MET A 62 11.497 5.163 -0.504 1.00 0.00 N ATOM 896 CA MET A 62 10.164 5.459 0.009 1.00 0.00 C ATOM 897 C MET A 62 9.094 5.103 -1.017 1.00 0.00 C ATOM 898 O MET A 62 9.291 5.276 -2.220 1.00 0.00 O ATOM 899 CB MET A 62 10.056 6.939 0.384 1.00 0.00 C ATOM 900 CG MET A 62 9.083 7.209 1.520 1.00 0.00 C ATOM 901 SD MET A 62 9.301 8.844 2.246 1.00 0.00 S ATOM 902 CE MET A 62 7.844 9.685 1.629 1.00 0.00 C ATOM 0 H MET A 62 11.653 5.458 -1.468 1.00 0.00 H new ATOM 0 HA MET A 62 10.002 4.853 0.900 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.042 7.307 0.666 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.744 7.506 -0.493 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.062 7.113 1.150 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.214 6.452 2.293 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.835 10.712 1.993 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.859 9.686 0.539 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.950 9.168 1.979 1.00 0.00 H new ATOM 912 N LEU A 63 7.961 4.604 -0.535 1.00 0.00 N ATOM 913 CA LEU A 63 6.859 4.222 -1.411 1.00 0.00 C ATOM 914 C LEU A 63 5.536 4.782 -0.897 1.00 0.00 C ATOM 915 O LEU A 63 5.362 4.984 0.304 1.00 0.00 O ATOM 916 CB LEU A 63 6.773 2.699 -1.521 1.00 0.00 C ATOM 917 CG LEU A 63 8.096 1.966 -1.749 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.009 0.537 -1.236 1.00 0.00 C ATOM 919 CD2 LEU A 63 8.468 1.985 -3.224 1.00 0.00 C ATOM 0 H LEU A 63 7.781 4.454 0.458 1.00 0.00 H new ATOM 0 HA LEU A 63 7.051 4.641 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.320 2.314 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.098 2.452 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 63 8.877 2.483 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.959 0.031 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.789 0.546 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.216 0.008 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.412 1.459 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.686 1.493 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.573 3.017 -3.560 1.00 0.00 H new ATOM 931 N GLU A 64 4.607 5.028 -1.815 1.00 0.00 N ATOM 932 CA GLU A 64 3.300 5.563 -1.454 1.00 0.00 C ATOM 933 C GLU A 64 2.229 5.093 -2.435 1.00 0.00 C ATOM 934 O GLU A 64 2.295 5.385 -3.630 1.00 0.00 O ATOM 935 CB GLU A 64 3.341 7.092 -1.421 1.00 0.00 C ATOM 936 CG GLU A 64 2.102 7.721 -0.807 1.00 0.00 C ATOM 937 CD GLU A 64 0.819 7.229 -1.448 1.00 0.00 C ATOM 938 OE1 GLU A 64 0.650 7.429 -2.669 1.00 0.00 O ATOM 939 OE2 GLU A 64 -0.017 6.644 -0.727 1.00 0.00 O ATOM 0 H GLU A 64 4.735 4.865 -2.814 1.00 0.00 H new ATOM 0 HA GLU A 64 3.046 5.192 -0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.218 7.411 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.462 7.466 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.078 7.501 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.162 8.805 -0.907 1.00 0.00 H new ATOM 946 N LEU A 65 1.245 4.363 -1.922 1.00 0.00 N ATOM 947 CA LEU A 65 0.160 3.851 -2.752 1.00 0.00 C ATOM 948 C LEU A 65 -1.166 4.505 -2.379 1.00 0.00 C ATOM 949 O LEU A 65 -1.630 4.390 -1.244 1.00 0.00 O ATOM 950 CB LEU A 65 0.051 2.332 -2.604 1.00 0.00 C ATOM 951 CG LEU A 65 -1.034 1.652 -3.439 1.00 0.00 C ATOM 952 CD1 LEU A 65 -0.493 1.270 -4.808 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.574 0.427 -2.717 1.00 0.00 C ATOM 0 H LEU A 65 1.176 4.112 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 65 0.385 4.094 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.013 1.892 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.129 2.101 -1.554 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.853 2.357 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.279 0.787 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.156 2.166 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.344 0.582 -4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.345 -0.044 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.763 -0.281 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.001 0.727 -1.760 1.00 0.00 H new ATOM 965 N VAL A 66 -1.774 5.191 -3.342 1.00 0.00 N ATOM 966 CA VAL A 66 -3.049 5.861 -3.116 1.00 0.00 C ATOM 967 C VAL A 66 -4.201 5.068 -3.721 1.00 0.00 C ATOM 968 O VAL A 66 -4.152 4.670 -4.884 1.00 0.00 O ATOM 969 CB VAL A 66 -3.049 7.282 -3.711 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.413 7.933 -3.539 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.960 8.128 -3.069 1.00 0.00 C ATOM 0 H VAL A 66 -1.404 5.297 -4.286 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.185 5.927 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.840 7.210 -4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.394 8.936 -3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.168 7.336 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.656 7.994 -2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.974 9.129 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.136 8.194 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.988 7.669 -3.250 1.00 0.00 H new ATOM 981 N VAL A 67 -5.240 4.842 -2.922 1.00 0.00 N ATOM 982 CA VAL A 67 -6.407 4.097 -3.379 1.00 0.00 C ATOM 983 C VAL A 67 -7.663 4.960 -3.330 1.00 0.00 C ATOM 984 O VAL A 67 -8.090 5.393 -2.259 1.00 0.00 O ATOM 985 CB VAL A 67 -6.633 2.832 -2.530 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.629 1.904 -3.210 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.314 2.119 -2.276 1.00 0.00 C ATOM 0 H VAL A 67 -5.297 5.164 -1.956 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.211 3.803 -4.410 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.049 3.130 -1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.776 1.016 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.581 2.421 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.244 1.610 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.492 1.227 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.867 1.831 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.636 2.786 -1.743 1.00 0.00 H new ATOM 997 N ARG A 68 -8.252 5.205 -4.496 1.00 0.00 N ATOM 998 CA ARG A 68 -9.459 6.017 -4.586 1.00 0.00 C ATOM 999 C ARG A 68 -10.708 5.141 -4.546 1.00 0.00 C ATOM 1000 O ARG A 68 -10.650 3.948 -4.839 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.447 6.847 -5.872 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.773 8.200 -5.716 1.00 0.00 C ATOM 1003 CD ARG A 68 -9.764 9.269 -5.283 1.00 0.00 C ATOM 1004 NE ARG A 68 -9.878 9.352 -3.829 1.00 0.00 N ATOM 1005 CZ ARG A 68 -10.368 10.408 -3.189 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -10.787 11.465 -3.872 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -10.439 10.409 -1.864 1.00 0.00 N ATOM 0 H ARG A 68 -7.913 4.853 -5.391 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.479 6.689 -3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.936 6.284 -6.653 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.473 6.998 -6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.972 8.126 -4.981 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.313 8.490 -6.661 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.451 10.235 -5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.742 9.052 -5.712 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.564 8.555 -3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.733 11.468 -4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.163 12.275 -3.379 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.117 9.598 -1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.815 11.221 -1.374 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.835 5.743 -4.180 1.00 0.00 N ATOM 1022 CA ASN A 69 -13.098 5.017 -4.100 1.00 0.00 C ATOM 1023 C ASN A 69 -13.022 3.907 -3.056 1.00 0.00 C ATOM 1024 O ASN A 69 -13.292 2.742 -3.351 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.457 4.426 -5.464 1.00 0.00 C ATOM 1026 CG ASN A 69 -13.307 5.432 -6.588 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -12.229 5.582 -7.163 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -14.392 6.128 -6.908 1.00 0.00 N ATOM 0 H ASN A 69 -11.900 6.731 -3.934 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.875 5.720 -3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.819 3.565 -5.663 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.484 4.062 -5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.352 6.819 -7.657 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.265 5.971 -6.405 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.654 4.276 -1.834 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.543 3.312 -0.744 1.00 0.00 C ATOM 1037 C LEU A 70 -13.858 2.566 -0.542 1.00 0.00 C ATOM 1038 O LEU A 70 -14.935 3.110 -0.784 1.00 0.00 O ATOM 1039 CB LEU A 70 -12.140 4.020 0.550 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.638 4.148 0.806 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -10.374 5.077 1.981 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -10.021 2.780 1.057 1.00 0.00 C ATOM 0 H LEU A 70 -12.427 5.236 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.773 2.588 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.574 5.020 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.587 3.484 1.388 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.173 4.577 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.300 5.156 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.781 6.064 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.852 4.677 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.952 2.891 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.491 2.323 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.178 2.145 0.185 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.761 1.319 -0.093 1.00 0.00 N ATOM 1055 CA ARG A 71 -14.943 0.498 0.144 1.00 0.00 C ATOM 1056 C ARG A 71 -14.651 -0.591 1.172 1.00 0.00 C ATOM 1057 O ARG A 71 -13.538 -1.109 1.265 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.421 -0.135 -1.165 1.00 0.00 C ATOM 1059 CG ARG A 71 -16.386 0.740 -1.948 1.00 0.00 C ATOM 1060 CD ARG A 71 -17.342 -0.096 -2.784 1.00 0.00 C ATOM 1061 NE ARG A 71 -17.925 0.673 -3.881 1.00 0.00 N ATOM 1062 CZ ARG A 71 -18.785 0.166 -4.757 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -19.160 -1.102 -4.666 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -19.271 0.929 -5.728 1.00 0.00 N ATOM 0 H ARG A 71 -12.877 0.855 0.114 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.730 1.142 0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.555 -0.355 -1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.905 -1.086 -0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.954 1.364 -1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.825 1.412 -2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.812 -0.958 -3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -18.139 -0.481 -2.147 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.657 1.652 -3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.788 -1.692 -3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.821 -1.488 -5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.984 1.905 -5.802 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -19.931 0.539 -6.401 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.675 -0.948 1.962 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.553 -1.978 2.998 1.00 0.00 C ATOM 1080 C PRO A 72 -15.393 -3.376 2.409 1.00 0.00 C ATOM 1081 O PRO A 72 -15.195 -4.347 3.138 1.00 0.00 O ATOM 1082 CB PRO A 72 -16.873 -1.869 3.764 1.00 0.00 C ATOM 1083 CG PRO A 72 -17.834 -1.292 2.783 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.029 -0.373 1.906 1.00 0.00 C ATOM 0 HA PRO A 72 -14.670 -1.828 3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.207 -2.844 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -16.770 -1.229 4.641 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.309 -2.077 2.194 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.631 -0.748 3.291 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.414 -0.351 0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.046 0.652 2.276 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.480 -3.469 1.085 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.345 -4.748 0.400 1.00 0.00 C ATOM 1094 C GLN A 73 -13.930 -4.931 -0.138 1.00 0.00 C ATOM 1095 O GLN A 73 -13.550 -6.026 -0.554 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.355 -4.846 -0.745 1.00 0.00 C ATOM 1097 CG GLN A 73 -17.745 -4.354 -0.374 1.00 0.00 C ATOM 1098 CD GLN A 73 -18.598 -5.437 0.256 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -19.161 -5.251 1.335 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -18.699 -6.578 -0.417 1.00 0.00 N ATOM 0 H GLN A 73 -15.643 -2.674 0.467 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.545 -5.541 1.121 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -15.988 -4.267 -1.593 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -16.421 -5.884 -1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -17.657 -3.517 0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -18.244 -3.978 -1.267 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -18.215 -6.689 -1.308 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -19.260 -7.343 -0.043 1.00 0.00 H new ATOM 1109 N ASP A 74 -13.154 -3.852 -0.127 1.00 0.00 N ATOM 1110 CA ASP A 74 -11.780 -3.894 -0.613 1.00 0.00 C ATOM 1111 C ASP A 74 -10.837 -4.416 0.467 1.00 0.00 C ATOM 1112 O ASP A 74 -9.829 -5.055 0.169 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.335 -2.503 -1.067 1.00 0.00 C ATOM 1114 CG ASP A 74 -10.172 -2.556 -2.038 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -10.029 -3.580 -2.737 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -9.403 -1.572 -2.098 1.00 0.00 O ATOM 0 H ASP A 74 -13.453 -2.938 0.213 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.742 -4.575 -1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.175 -1.992 -1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.051 -1.913 -0.196 1.00 0.00 H new ATOM 1121 N SER A 75 -11.172 -4.137 1.723 1.00 0.00 N ATOM 1122 CA SER A 75 -10.352 -4.574 2.847 1.00 0.00 C ATOM 1123 C SER A 75 -9.731 -5.939 2.569 1.00 0.00 C ATOM 1124 O SER A 75 -10.399 -6.968 2.658 1.00 0.00 O ATOM 1125 CB SER A 75 -11.192 -4.634 4.124 1.00 0.00 C ATOM 1126 OG SER A 75 -11.681 -3.351 4.475 1.00 0.00 O ATOM 0 H SER A 75 -12.005 -3.611 1.988 1.00 0.00 H new ATOM 0 HA SER A 75 -9.548 -3.850 2.982 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.028 -5.318 3.981 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.590 -5.033 4.940 1.00 0.00 H new ATOM 0 HG SER A 75 -12.216 -3.417 5.294 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.445 -5.939 2.229 1.00 0.00 N ATOM 1133 CA GLY A 76 -7.754 -7.182 1.942 1.00 0.00 C ATOM 1134 C GLY A 76 -6.377 -7.239 2.574 1.00 0.00 C ATOM 1135 O GLY A 76 -6.165 -6.708 3.664 1.00 0.00 O ATOM 0 H GLY A 76 -7.870 -5.100 2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.352 -8.018 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.660 -7.301 0.863 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.439 -7.885 1.889 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.077 -8.012 2.392 1.00 0.00 C ATOM 1141 C ARG A 77 -3.081 -7.366 1.432 1.00 0.00 C ATOM 1142 O ARG A 77 -2.713 -7.954 0.415 1.00 0.00 O ATOM 1143 CB ARG A 77 -3.721 -9.486 2.597 1.00 0.00 C ATOM 1144 CG ARG A 77 -2.463 -9.700 3.421 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.289 -11.162 3.803 1.00 0.00 C ATOM 1146 NE ARG A 77 -1.636 -11.930 2.746 1.00 0.00 N ATOM 1147 CZ ARG A 77 -2.282 -12.442 1.705 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -3.591 -12.269 1.581 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -1.619 -13.129 0.784 1.00 0.00 N ATOM 0 H ARG A 77 -5.598 -8.328 0.984 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.021 -7.495 3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.556 -9.988 3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.592 -9.959 1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.594 -9.365 2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.510 -9.090 4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.700 -11.230 4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.264 -11.599 4.019 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.629 -12.081 2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.105 -11.741 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.084 -12.664 0.780 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.612 -13.264 0.875 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.116 -13.522 -0.015 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.650 -6.154 1.763 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.700 -5.427 0.930 1.00 0.00 C ATOM 1165 C TYR A 78 -0.265 -5.714 1.363 1.00 0.00 C ATOM 1166 O TYR A 78 0.190 -5.232 2.400 1.00 0.00 O ATOM 1167 CB TYR A 78 -1.975 -3.924 0.999 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.375 -3.544 0.573 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -3.769 -3.645 -0.755 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -4.303 -3.084 1.499 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.047 -3.298 -1.149 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.583 -2.736 1.114 1.00 0.00 C ATOM 1173 CZ TYR A 78 -5.951 -2.845 -0.211 1.00 0.00 C ATOM 1174 OH TYR A 78 -7.225 -2.499 -0.598 1.00 0.00 O ATOM 0 H TYR A 78 -2.944 -5.654 2.602 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.824 -5.765 -0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.809 -3.579 2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.257 -3.402 0.366 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.064 -4.001 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.019 -2.997 2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.337 -3.381 -2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.292 -2.380 1.847 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.192 -2.052 -1.470 1.00 0.00 H new ATOM 1184 N SER A 79 0.442 -6.502 0.560 1.00 0.00 N ATOM 1185 CA SER A 79 1.824 -6.857 0.860 1.00 0.00 C ATOM 1186 C SER A 79 2.751 -6.442 -0.279 1.00 0.00 C ATOM 1187 O SER A 79 2.451 -6.668 -1.452 1.00 0.00 O ATOM 1188 CB SER A 79 1.945 -8.362 1.108 1.00 0.00 C ATOM 1189 OG SER A 79 1.382 -9.101 0.038 1.00 0.00 O ATOM 0 H SER A 79 0.081 -6.907 -0.304 1.00 0.00 H new ATOM 0 HA SER A 79 2.122 -6.323 1.762 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.994 -8.631 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.441 -8.622 2.039 1.00 0.00 H new ATOM 0 HG SER A 79 1.473 -10.060 0.219 1.00 0.00 H new ATOM 1195 N CYS A 80 3.877 -5.833 0.076 1.00 0.00 N ATOM 1196 CA CYS A 80 4.849 -5.385 -0.915 1.00 0.00 C ATOM 1197 C CYS A 80 6.032 -6.344 -0.990 1.00 0.00 C ATOM 1198 O CYS A 80 6.782 -6.496 -0.026 1.00 0.00 O ATOM 1199 CB CYS A 80 5.339 -3.976 -0.578 1.00 0.00 C ATOM 1200 SG CYS A 80 5.909 -3.030 -2.010 1.00 0.00 S ATOM 0 H CYS A 80 4.139 -5.638 1.042 1.00 0.00 H new ATOM 0 HA CYS A 80 4.357 -5.368 -1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.531 -3.428 -0.093 1.00 0.00 H new ATOM 0 HB3 CYS A 80 6.153 -4.049 0.143 1.00 0.00 H new ATOM 0 HG CYS A 80 5.742 -3.735 -3.090 1.00 0.00 H new ATOM 1206 N SER A 81 6.192 -6.991 -2.140 1.00 0.00 N ATOM 1207 CA SER A 81 7.280 -7.940 -2.339 1.00 0.00 C ATOM 1208 C SER A 81 8.567 -7.218 -2.725 1.00 0.00 C ATOM 1209 O SER A 81 8.599 -6.457 -3.692 1.00 0.00 O ATOM 1210 CB SER A 81 6.908 -8.956 -3.420 1.00 0.00 C ATOM 1211 OG SER A 81 7.756 -10.090 -3.368 1.00 0.00 O ATOM 0 H SER A 81 5.581 -6.875 -2.949 1.00 0.00 H new ATOM 0 HA SER A 81 7.447 -8.466 -1.399 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.871 -9.267 -3.290 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.980 -8.489 -4.402 1.00 0.00 H new ATOM 0 HG SER A 81 7.496 -10.725 -4.068 1.00 0.00 H new ATOM 1217 N PHE A 82 9.628 -7.462 -1.962 1.00 0.00 N ATOM 1218 CA PHE A 82 10.918 -6.835 -2.223 1.00 0.00 C ATOM 1219 C PHE A 82 12.051 -7.642 -1.595 1.00 0.00 C ATOM 1220 O PHE A 82 12.053 -7.899 -0.393 1.00 0.00 O ATOM 1221 CB PHE A 82 10.933 -5.405 -1.679 1.00 0.00 C ATOM 1222 CG PHE A 82 11.825 -4.478 -2.454 1.00 0.00 C ATOM 1223 CD1 PHE A 82 11.772 -4.440 -3.838 1.00 0.00 C ATOM 1224 CD2 PHE A 82 12.718 -3.646 -1.798 1.00 0.00 C ATOM 1225 CE1 PHE A 82 12.591 -3.588 -4.554 1.00 0.00 C ATOM 1226 CE2 PHE A 82 13.540 -2.791 -2.509 1.00 0.00 C ATOM 1227 CZ PHE A 82 13.477 -2.763 -3.889 1.00 0.00 C ATOM 0 H PHE A 82 9.619 -8.090 -1.158 1.00 0.00 H new ATOM 0 HA PHE A 82 11.069 -6.807 -3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.917 -5.011 -1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.258 -5.424 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 82 11.082 -5.084 -4.363 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.773 -3.665 -0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.538 -3.567 -5.633 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.231 -2.146 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.119 -2.097 -4.447 1.00 0.00 H new ATOM 1237 N GLY A 83 13.015 -8.038 -2.421 1.00 0.00 N ATOM 1238 CA GLY A 83 14.141 -8.812 -1.931 1.00 0.00 C ATOM 1239 C GLY A 83 13.725 -10.173 -1.409 1.00 0.00 C ATOM 1240 O GLY A 83 12.980 -10.898 -2.070 1.00 0.00 O ATOM 0 H GLY A 83 13.036 -7.837 -3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.867 -8.940 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.640 -8.258 -1.136 1.00 0.00 H new ATOM 1244 N ASP A 84 14.208 -10.523 -0.222 1.00 0.00 N ATOM 1245 CA ASP A 84 13.883 -11.807 0.387 1.00 0.00 C ATOM 1246 C ASP A 84 12.782 -11.650 1.431 1.00 0.00 C ATOM 1247 O ASP A 84 12.074 -12.605 1.749 1.00 0.00 O ATOM 1248 CB ASP A 84 15.128 -12.421 1.029 1.00 0.00 C ATOM 1249 CG ASP A 84 16.341 -12.350 0.123 1.00 0.00 C ATOM 1250 OD1 ASP A 84 16.160 -12.357 -1.112 1.00 0.00 O ATOM 1251 OD2 ASP A 84 17.472 -12.289 0.649 1.00 0.00 O ATOM 0 H ASP A 84 14.826 -9.935 0.337 1.00 0.00 H new ATOM 0 HA ASP A 84 13.523 -12.472 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.345 -11.903 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.927 -13.462 1.282 1.00 0.00 H new ATOM 1256 N GLN A 85 12.646 -10.439 1.962 1.00 0.00 N ATOM 1257 CA GLN A 85 11.632 -10.158 2.972 1.00 0.00 C ATOM 1258 C GLN A 85 10.358 -9.621 2.329 1.00 0.00 C ATOM 1259 O GLN A 85 10.402 -8.971 1.284 1.00 0.00 O ATOM 1260 CB GLN A 85 12.165 -9.152 3.993 1.00 0.00 C ATOM 1261 CG GLN A 85 13.391 -9.641 4.747 1.00 0.00 C ATOM 1262 CD GLN A 85 13.488 -9.060 6.144 1.00 0.00 C ATOM 1263 OE1 GLN A 85 12.823 -8.076 6.467 1.00 0.00 O ATOM 1264 NE2 GLN A 85 14.321 -9.668 6.981 1.00 0.00 N ATOM 0 H GLN A 85 13.224 -9.638 1.710 1.00 0.00 H new ATOM 0 HA GLN A 85 11.394 -11.092 3.482 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.411 -8.222 3.480 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.376 -8.922 4.709 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.363 -10.729 4.811 1.00 0.00 H new ATOM 0 HG3 GLN A 85 14.287 -9.378 4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.853 -10.481 6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.429 -9.322 7.934 1.00 0.00 H new ATOM 1273 N THR A 86 9.221 -9.897 2.961 1.00 0.00 N ATOM 1274 CA THR A 86 7.933 -9.443 2.450 1.00 0.00 C ATOM 1275 C THR A 86 7.054 -8.908 3.574 1.00 0.00 C ATOM 1276 O THR A 86 6.751 -9.619 4.534 1.00 0.00 O ATOM 1277 CB THR A 86 7.185 -10.578 1.725 1.00 0.00 C ATOM 1278 OG1 THR A 86 8.011 -11.126 0.692 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.883 -10.070 1.124 1.00 0.00 C ATOM 0 H THR A 86 9.166 -10.433 3.827 1.00 0.00 H new ATOM 0 HA THR A 86 8.139 -8.642 1.740 1.00 0.00 H new ATOM 0 HB THR A 86 6.952 -11.354 2.454 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.529 -11.848 0.237 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.372 -10.889 0.617 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.245 -9.679 1.916 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.098 -9.278 0.407 1.00 0.00 H new ATOM 1287 N THR A 87 6.644 -7.649 3.451 1.00 0.00 N ATOM 1288 CA THR A 87 5.799 -7.019 4.457 1.00 0.00 C ATOM 1289 C THR A 87 4.321 -7.204 4.129 1.00 0.00 C ATOM 1290 O THR A 87 3.959 -7.471 2.983 1.00 0.00 O ATOM 1291 CB THR A 87 6.101 -5.513 4.580 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.249 -4.922 5.568 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.902 -4.810 3.246 1.00 0.00 C ATOM 0 H THR A 87 6.884 -7.046 2.664 1.00 0.00 H new ATOM 0 HA THR A 87 6.021 -7.506 5.406 1.00 0.00 H new ATOM 0 HB THR A 87 7.142 -5.397 4.882 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.491 -5.263 6.454 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.121 -3.748 3.358 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.572 -5.242 2.503 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.870 -4.935 2.919 1.00 0.00 H new ATOM 1301 N SER A 88 3.472 -7.059 5.141 1.00 0.00 N ATOM 1302 CA SER A 88 2.034 -7.213 4.960 1.00 0.00 C ATOM 1303 C SER A 88 1.265 -6.341 5.948 1.00 0.00 C ATOM 1304 O SER A 88 1.653 -6.209 7.109 1.00 0.00 O ATOM 1305 CB SER A 88 1.631 -8.679 5.135 1.00 0.00 C ATOM 1306 OG SER A 88 0.242 -8.856 4.916 1.00 0.00 O ATOM 0 H SER A 88 3.755 -6.835 6.095 1.00 0.00 H new ATOM 0 HA SER A 88 1.784 -6.893 3.949 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.194 -9.300 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.889 -9.013 6.140 1.00 0.00 H new ATOM 0 HG SER A 88 0.010 -9.801 5.032 1.00 0.00 H new ATOM 1312 N ALA A 89 0.173 -5.748 5.479 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.652 -4.890 6.320 1.00 0.00 C ATOM 1314 C ALA A 89 -2.121 -4.975 5.919 1.00 0.00 C ATOM 1315 O ALA A 89 -2.459 -5.536 4.876 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.165 -3.450 6.245 1.00 0.00 C ATOM 0 H ALA A 89 -0.161 -5.846 4.520 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.563 -5.239 7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.791 -2.821 6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.868 -3.397 6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.223 -3.099 5.215 1.00 0.00 H new ATOM 1322 N THR A 90 -2.991 -4.416 6.753 1.00 0.00 N ATOM 1323 CA THR A 90 -4.424 -4.430 6.486 1.00 0.00 C ATOM 1324 C THR A 90 -5.026 -3.039 6.643 1.00 0.00 C ATOM 1325 O THR A 90 -4.714 -2.319 7.592 1.00 0.00 O ATOM 1326 CB THR A 90 -5.161 -5.405 7.424 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.584 -6.711 7.324 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.641 -5.471 7.081 1.00 0.00 C ATOM 0 H THR A 90 -2.728 -3.947 7.620 1.00 0.00 H new ATOM 0 HA THR A 90 -4.550 -4.763 5.456 1.00 0.00 H new ATOM 0 HB THR A 90 -5.057 -5.040 8.446 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.057 -7.324 7.924 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.140 -6.166 7.756 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.084 -4.481 7.187 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.761 -5.814 6.054 1.00 0.00 H new ATOM 1336 N LEU A 91 -5.892 -2.665 5.707 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.540 -1.359 5.741 1.00 0.00 C ATOM 1338 C LEU A 91 -7.978 -1.477 6.238 1.00 0.00 C ATOM 1339 O LEU A 91 -8.745 -2.313 5.759 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.519 -0.720 4.351 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.574 0.356 4.091 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -7.259 1.614 4.886 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.660 0.670 2.605 1.00 0.00 C ATOM 0 H LEU A 91 -6.161 -3.248 4.915 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.987 -0.725 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.534 -0.282 4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.642 -1.509 3.609 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.542 -0.024 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.020 2.369 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.248 1.379 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.283 1.997 4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.416 1.438 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.693 1.030 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.933 -0.232 2.058 1.00 0.00 H new ATOM 1355 N THR A 92 -8.338 -0.632 7.199 1.00 0.00 N ATOM 1356 CA THR A 92 -9.683 -0.641 7.760 1.00 0.00 C ATOM 1357 C THR A 92 -10.560 0.418 7.101 1.00 0.00 C ATOM 1358 O THR A 92 -10.205 1.596 7.062 1.00 0.00 O ATOM 1359 CB THR A 92 -9.660 -0.398 9.281 1.00 0.00 C ATOM 1360 OG1 THR A 92 -8.878 -1.410 9.926 1.00 0.00 O ATOM 1361 CG2 THR A 92 -11.070 -0.400 9.851 1.00 0.00 C ATOM 0 H THR A 92 -7.716 0.067 7.605 1.00 0.00 H new ATOM 0 HA THR A 92 -10.100 -1.629 7.564 1.00 0.00 H new ATOM 0 HB THR A 92 -9.213 0.579 9.464 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.866 -1.248 10.892 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.028 -0.227 10.926 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.655 0.389 9.379 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.539 -1.364 9.657 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.708 -0.008 6.584 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.637 0.904 5.928 1.00 0.00 C ATOM 1371 C VAL A 93 -14.014 0.850 6.581 1.00 0.00 C ATOM 1372 O VAL A 93 -14.721 -0.154 6.484 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.779 0.580 4.429 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.736 1.554 3.760 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.418 0.603 3.749 1.00 0.00 C ATOM 0 H VAL A 93 -12.017 -0.980 6.607 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.225 1.907 6.037 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.193 -0.423 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.823 1.309 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.716 1.482 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.355 2.570 3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.536 0.372 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.974 1.593 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.767 -0.139 4.212 1.00 0.00 H new ATOM 1385 N THR A 94 -14.390 1.937 7.248 1.00 0.00 N ATOM 1386 CA THR A 94 -15.682 2.013 7.918 1.00 0.00 C ATOM 1387 C THR A 94 -16.785 2.405 6.941 1.00 0.00 C ATOM 1388 O THR A 94 -16.647 3.368 6.188 1.00 0.00 O ATOM 1389 CB THR A 94 -15.654 3.027 9.077 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.560 2.739 9.954 1.00 0.00 O ATOM 1391 CG2 THR A 94 -16.959 2.992 9.858 1.00 0.00 C ATOM 0 H THR A 94 -13.818 2.777 7.338 1.00 0.00 H new ATOM 0 HA THR A 94 -15.890 1.021 8.318 1.00 0.00 H new ATOM 0 HB THR A 94 -15.528 4.024 8.655 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.548 3.389 10.687 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.916 3.716 10.671 1.00 0.00 H new ATOM 0 HG22 THR A 94 -17.787 3.241 9.194 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.111 1.994 10.269 1.00 0.00 H new ATOM 1399 N ALA A 95 -17.880 1.652 6.960 1.00 0.00 N ATOM 1400 CA ALA A 95 -19.009 1.923 6.078 1.00 0.00 C ATOM 1401 C ALA A 95 -19.919 2.996 6.665 1.00 0.00 C ATOM 1402 O ALA A 95 -20.454 2.839 7.763 1.00 0.00 O ATOM 1403 CB ALA A 95 -19.794 0.646 5.819 1.00 0.00 C ATOM 0 H ALA A 95 -18.009 0.850 7.576 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.618 2.294 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -20.634 0.863 5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.144 -0.092 5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.167 0.251 6.764 1.00 0.00 H new ATOM 1409 N LEU A 96 -20.091 4.087 5.927 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.937 5.189 6.375 1.00 0.00 C ATOM 1411 C LEU A 96 -22.132 4.669 7.168 1.00 0.00 C ATOM 1412 O LEU A 96 -22.624 3.563 6.944 1.00 0.00 O ATOM 1413 CB LEU A 96 -21.422 6.005 5.176 1.00 0.00 C ATOM 1414 CG LEU A 96 -20.411 6.985 4.578 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -20.854 7.430 3.193 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -20.229 8.187 5.493 1.00 0.00 C ATOM 0 H LEU A 96 -19.656 4.233 5.016 1.00 0.00 H new ATOM 0 HA LEU A 96 -20.343 5.830 7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -21.734 5.313 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -22.307 6.566 5.477 1.00 0.00 H new ATOM 0 HG LEU A 96 -19.452 6.476 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -20.123 8.127 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.933 6.561 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.824 7.922 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -19.506 8.874 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -21.184 8.697 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.866 7.853 6.465 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.613 5.486 8.117 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.758 5.132 8.960 1.00 0.00 C ATOM 1430 C PRO A 97 -25.068 5.108 8.179 1.00 0.00 C ATOM 1431 O PRO A 97 -25.411 6.071 7.495 1.00 0.00 O ATOM 1432 CB PRO A 97 -23.783 6.245 10.011 1.00 0.00 C ATOM 1433 CG PRO A 97 -23.119 7.404 9.350 1.00 0.00 C ATOM 1434 CD PRO A 97 -22.076 6.819 8.438 1.00 0.00 C ATOM 0 HA PRO A 97 -23.660 4.131 9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -24.804 6.489 10.306 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -23.252 5.948 10.916 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.840 7.998 8.788 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.665 8.066 10.087 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -21.941 7.424 7.542 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -21.105 6.754 8.928 1.00 0.00 H new ATOM 1442 N SER A 98 -25.795 4.000 8.287 1.00 0.00 N ATOM 1443 CA SER A 98 -27.066 3.849 7.588 1.00 0.00 C ATOM 1444 C SER A 98 -28.184 4.575 8.330 1.00 0.00 C ATOM 1445 O SER A 98 -28.420 4.330 9.513 1.00 0.00 O ATOM 1446 CB SER A 98 -27.416 2.368 7.437 1.00 0.00 C ATOM 1447 OG SER A 98 -28.697 2.204 6.854 1.00 0.00 O ATOM 0 H SER A 98 -25.526 3.194 8.852 1.00 0.00 H new ATOM 0 HA SER A 98 -26.963 4.293 6.598 1.00 0.00 H new ATOM 0 HB2 SER A 98 -26.666 1.875 6.819 1.00 0.00 H new ATOM 0 HB3 SER A 98 -27.393 1.884 8.413 1.00 0.00 H new ATOM 0 HG SER A 98 -28.897 1.249 6.767 1.00 0.00 H new ATOM 1453 N GLY A 99 -28.870 5.470 7.626 1.00 0.00 N ATOM 1454 CA GLY A 99 -29.955 6.218 8.234 1.00 0.00 C ATOM 1455 C GLY A 99 -31.100 6.464 7.272 1.00 0.00 C ATOM 1456 O GLY A 99 -30.909 6.568 6.060 1.00 0.00 O ATOM 0 H GLY A 99 -28.694 5.690 6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -30.325 5.674 9.103 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -29.576 7.174 8.595 1.00 0.00 H new ATOM 1460 N PRO A 100 -32.323 6.558 7.813 1.00 0.00 N ATOM 1461 CA PRO A 100 -33.528 6.792 7.012 1.00 0.00 C ATOM 1462 C PRO A 100 -33.571 8.201 6.428 1.00 0.00 C ATOM 1463 O PRO A 100 -34.010 9.143 7.087 1.00 0.00 O ATOM 1464 CB PRO A 100 -34.666 6.595 8.016 1.00 0.00 C ATOM 1465 CG PRO A 100 -34.057 6.892 9.342 1.00 0.00 C ATOM 1466 CD PRO A 100 -32.625 6.443 9.250 1.00 0.00 C ATOM 0 HA PRO A 100 -33.581 6.125 6.151 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -35.500 7.264 7.805 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -35.056 5.578 7.978 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -34.118 7.956 9.570 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -34.581 6.364 10.139 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -31.967 7.072 9.850 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -32.501 5.420 9.606 1.00 0.00 H new ATOM 1474 N SER A 101 -33.113 8.336 5.188 1.00 0.00 N ATOM 1475 CA SER A 101 -33.096 9.631 4.517 1.00 0.00 C ATOM 1476 C SER A 101 -32.735 10.745 5.494 1.00 0.00 C ATOM 1477 O SER A 101 -33.380 11.793 5.523 1.00 0.00 O ATOM 1478 CB SER A 101 -34.457 9.917 3.880 1.00 0.00 C ATOM 1479 OG SER A 101 -34.339 10.851 2.821 1.00 0.00 O ATOM 0 H SER A 101 -32.749 7.565 4.628 1.00 0.00 H new ATOM 0 HA SER A 101 -32.337 9.597 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 101 -34.888 8.989 3.504 1.00 0.00 H new ATOM 0 HB3 SER A 101 -35.141 10.304 4.635 1.00 0.00 H new ATOM 0 HG SER A 101 -35.222 11.015 2.430 1.00 0.00 H new ATOM 1485 N SER A 102 -31.700 10.510 6.294 1.00 0.00 N ATOM 1486 CA SER A 102 -31.255 11.491 7.277 1.00 0.00 C ATOM 1487 C SER A 102 -30.243 12.454 6.663 1.00 0.00 C ATOM 1488 O SER A 102 -30.421 13.671 6.707 1.00 0.00 O ATOM 1489 CB SER A 102 -30.637 10.788 8.487 1.00 0.00 C ATOM 1490 OG SER A 102 -30.341 11.714 9.518 1.00 0.00 O ATOM 0 H SER A 102 -31.154 9.649 6.281 1.00 0.00 H new ATOM 0 HA SER A 102 -32.124 12.063 7.603 1.00 0.00 H new ATOM 0 HB2 SER A 102 -31.325 10.030 8.861 1.00 0.00 H new ATOM 0 HB3 SER A 102 -29.726 10.271 8.185 1.00 0.00 H new ATOM 0 HG SER A 102 -29.949 11.240 10.281 1.00 0.00 H new ATOM 1496 N GLY A 103 -29.180 11.899 6.089 1.00 0.00 N ATOM 1497 CA GLY A 103 -28.154 12.722 5.474 1.00 0.00 C ATOM 1498 C GLY A 103 -26.754 12.285 5.855 1.00 0.00 C ATOM 1499 O GLY A 103 -25.800 13.053 5.727 1.00 0.00 O ATOM 0 H GLY A 103 -29.011 10.894 6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -28.261 12.681 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -28.300 13.761 5.770 1.00 0.00 H new TER 1503 GLY A 103