USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 946 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 94 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Set 2.1: A 78 SER OG : rot -138:sc= 0.0737 USER MOD Set 2.2: A 125 ASN : amide:sc= 0.109 X(o=0.18,f=-0.053) USER MOD Set 3.1: A 25 SER OG : rot -50:sc= 0 USER MOD Set 3.2: A 90 ASN : amide:sc= 0.732 K(o=0.73,f=-5.9!) USER MOD Set 4.1: A 12 MET CE :methyl -135:sc= 0 (180deg=-0.153) USER MOD Set 4.2: A 68 THR OG1 : rot 116:sc= 1.22 USER MOD Single : A 1 GLY N :NH3+ -170:sc= 1.32 (180deg=1.1) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -130:sc= -0.0408 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 19 GLN : amide:sc= -0.0409 K(o=-0.041,f=-2) USER MOD Single : A 28 LYS NZ :NH3+ -144:sc= 0.368 (180deg=0.0289) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0374 USER MOD Single : A 35 ASN : amide:sc= -0.234 K(o=-0.23,f=-2.7!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.3) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.112 USER MOD Single : A 50 SER OG : rot 105:sc= 0.143 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.0496 (180deg=-0.302) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 37:sc= 0.086 USER MOD Single : A 69 THR OG1 : rot 160:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -110:sc= 0.0977 (180deg=0) USER MOD Single : A 93 MET CE :methyl 175:sc= -1.54 (180deg=-1.74) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= 0.162 (180deg=0.151) USER MOD Single : A 102 ASN : amide:sc= 0.0413 X(o=0.041,f=-0.12) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 130:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.804 -17.465 -9.549 1.00 0.00 N ATOM 2 CA GLY A 1 33.662 -16.959 -8.471 1.00 0.00 C ATOM 3 C GLY A 1 33.536 -15.460 -8.511 1.00 0.00 C ATOM 4 O GLY A 1 33.887 -14.878 -9.533 1.00 0.00 O ATOM 0 H1 GLY A 1 32.715 -18.498 -9.466 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.862 -17.030 -9.476 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.226 -17.226 -10.469 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.347 -17.352 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 1 34.697 -17.268 -8.618 1.00 0.00 H new ATOM 8 N ASP A 2 32.953 -14.867 -7.475 1.00 0.00 N ATOM 9 CA ASP A 2 32.205 -13.630 -7.569 1.00 0.00 C ATOM 10 C ASP A 2 32.384 -12.987 -6.212 1.00 0.00 C ATOM 11 O ASP A 2 32.100 -13.626 -5.193 1.00 0.00 O ATOM 12 CB ASP A 2 30.712 -13.914 -7.809 1.00 0.00 C ATOM 13 CG ASP A 2 30.410 -14.520 -9.175 1.00 0.00 C ATOM 14 OD1 ASP A 2 30.716 -15.725 -9.364 1.00 0.00 O ATOM 15 OD2 ASP A 2 29.875 -13.796 -10.040 1.00 0.00 O ATOM 0 H ASP A 2 32.991 -15.245 -6.529 1.00 0.00 H new ATOM 0 HA ASP A 2 32.548 -13.004 -8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 2 30.352 -14.591 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 2 30.154 -12.984 -7.704 1.00 0.00 H new ATOM 20 N ASP A 3 32.914 -11.775 -6.230 1.00 0.00 N ATOM 21 CA ASP A 3 33.270 -10.939 -5.096 1.00 0.00 C ATOM 22 C ASP A 3 32.960 -9.521 -5.569 1.00 0.00 C ATOM 23 O ASP A 3 33.568 -9.057 -6.538 1.00 0.00 O ATOM 24 CB ASP A 3 34.755 -11.136 -4.755 1.00 0.00 C ATOM 25 CG ASP A 3 35.216 -10.290 -3.565 1.00 0.00 C ATOM 26 OD1 ASP A 3 34.354 -9.949 -2.723 1.00 0.00 O ATOM 27 OD2 ASP A 3 36.446 -10.075 -3.468 1.00 0.00 O ATOM 0 H ASP A 3 33.124 -11.312 -7.114 1.00 0.00 H new ATOM 0 HA ASP A 3 32.724 -11.176 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 3 34.935 -12.189 -4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 3 35.358 -10.884 -5.627 1.00 0.00 H new ATOM 32 N ASP A 4 31.901 -8.911 -5.035 1.00 0.00 N ATOM 33 CA ASP A 4 31.434 -7.579 -5.399 1.00 0.00 C ATOM 34 C ASP A 4 30.710 -6.970 -4.196 1.00 0.00 C ATOM 35 O ASP A 4 30.092 -7.695 -3.413 1.00 0.00 O ATOM 36 CB ASP A 4 30.540 -7.608 -6.660 1.00 0.00 C ATOM 37 CG ASP A 4 29.075 -8.032 -6.464 1.00 0.00 C ATOM 38 OD1 ASP A 4 28.792 -9.242 -6.301 1.00 0.00 O ATOM 39 OD2 ASP A 4 28.183 -7.173 -6.662 1.00 0.00 O ATOM 0 H ASP A 4 31.328 -9.348 -4.313 1.00 0.00 H new ATOM 0 HA ASP A 4 32.289 -6.954 -5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 4 30.549 -6.613 -7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 4 30.995 -8.285 -7.383 1.00 0.00 H new ATOM 44 N GLU A 5 30.795 -5.646 -4.034 1.00 0.00 N ATOM 45 CA GLU A 5 30.257 -4.907 -2.890 1.00 0.00 C ATOM 46 C GLU A 5 29.951 -3.457 -3.314 1.00 0.00 C ATOM 47 O GLU A 5 30.540 -2.501 -2.816 1.00 0.00 O ATOM 48 CB GLU A 5 31.203 -5.024 -1.666 1.00 0.00 C ATOM 49 CG GLU A 5 32.648 -4.478 -1.785 1.00 0.00 C ATOM 50 CD GLU A 5 32.868 -3.086 -1.159 1.00 0.00 C ATOM 51 OE1 GLU A 5 32.416 -2.855 -0.008 1.00 0.00 O ATOM 52 OE2 GLU A 5 33.468 -2.219 -1.833 1.00 0.00 O ATOM 0 H GLU A 5 31.254 -5.042 -4.716 1.00 0.00 H new ATOM 0 HA GLU A 5 29.313 -5.344 -2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 5 30.725 -4.514 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 5 31.270 -6.079 -1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 5 33.329 -5.185 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 5 32.919 -4.433 -2.840 1.00 0.00 H new ATOM 59 N PRO A 6 29.037 -3.239 -4.277 1.00 0.00 N ATOM 60 CA PRO A 6 28.803 -1.910 -4.828 1.00 0.00 C ATOM 61 C PRO A 6 28.282 -0.933 -3.766 1.00 0.00 C ATOM 62 O PRO A 6 27.647 -1.323 -2.781 1.00 0.00 O ATOM 63 CB PRO A 6 27.826 -2.122 -5.984 1.00 0.00 C ATOM 64 CG PRO A 6 27.094 -3.409 -5.606 1.00 0.00 C ATOM 65 CD PRO A 6 28.170 -4.226 -4.901 1.00 0.00 C ATOM 0 HA PRO A 6 29.723 -1.445 -5.181 1.00 0.00 H new ATOM 0 HB2 PRO A 6 27.137 -1.284 -6.085 1.00 0.00 H new ATOM 0 HB3 PRO A 6 28.347 -2.222 -6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 6 26.244 -3.212 -4.952 1.00 0.00 H new ATOM 0 HG3 PRO A 6 26.707 -3.925 -6.485 1.00 0.00 H new ATOM 0 HD2 PRO A 6 27.735 -4.896 -4.159 1.00 0.00 H new ATOM 0 HD3 PRO A 6 28.721 -4.847 -5.607 1.00 0.00 H new ATOM 73 N GLY A 7 28.514 0.363 -3.976 1.00 0.00 N ATOM 74 CA GLY A 7 28.307 1.409 -2.998 1.00 0.00 C ATOM 75 C GLY A 7 27.962 2.685 -3.744 1.00 0.00 C ATOM 76 O GLY A 7 28.793 3.223 -4.477 1.00 0.00 O ATOM 0 H GLY A 7 28.864 0.717 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.503 1.138 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.204 1.550 -2.395 1.00 0.00 H new ATOM 80 N GLY A 8 26.728 3.146 -3.587 1.00 0.00 N ATOM 81 CA GLY A 8 26.221 4.411 -4.101 1.00 0.00 C ATOM 82 C GLY A 8 25.256 5.030 -3.092 1.00 0.00 C ATOM 83 O GLY A 8 25.611 5.167 -1.917 1.00 0.00 O ATOM 0 H GLY A 8 26.020 2.622 -3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 8 27.049 5.094 -4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 8 25.713 4.250 -5.052 1.00 0.00 H new ATOM 87 N LYS A 9 24.055 5.446 -3.511 1.00 0.00 N ATOM 88 CA LYS A 9 23.102 6.154 -2.675 1.00 0.00 C ATOM 89 C LYS A 9 21.686 5.844 -3.154 1.00 0.00 C ATOM 90 O LYS A 9 21.460 5.412 -4.286 1.00 0.00 O ATOM 91 CB LYS A 9 23.376 7.674 -2.744 1.00 0.00 C ATOM 92 CG LYS A 9 23.134 8.381 -1.401 1.00 0.00 C ATOM 93 CD LYS A 9 24.339 8.232 -0.460 1.00 0.00 C ATOM 94 CE LYS A 9 24.047 8.872 0.901 1.00 0.00 C ATOM 95 NZ LYS A 9 23.196 8.008 1.744 1.00 0.00 N ATOM 0 H LYS A 9 23.720 5.292 -4.462 1.00 0.00 H new ATOM 0 HA LYS A 9 23.206 5.830 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.407 7.840 -3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 9 22.736 8.120 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 9 22.937 9.439 -1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 9 22.246 7.965 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.575 7.176 -0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 9 25.216 8.701 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 9 24.986 9.072 1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 9 23.554 9.833 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 23.021 8.476 2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 22.290 7.838 1.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 23.677 7.100 1.907 1.00 0.00 H new ATOM 109 N GLY A 10 20.735 6.048 -2.262 1.00 0.00 N ATOM 110 CA GLY A 10 19.296 6.020 -2.447 1.00 0.00 C ATOM 111 C GLY A 10 18.633 6.007 -1.075 1.00 0.00 C ATOM 112 O GLY A 10 19.169 6.559 -0.111 1.00 0.00 O ATOM 0 H GLY A 10 20.975 6.258 -1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 10 18.970 6.890 -3.017 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.004 5.138 -3.017 1.00 0.00 H new ATOM 116 N ALA A 11 17.472 5.375 -0.970 1.00 0.00 N ATOM 117 CA ALA A 11 16.555 5.552 0.154 1.00 0.00 C ATOM 118 C ALA A 11 16.209 4.229 0.833 1.00 0.00 C ATOM 119 O ALA A 11 16.391 3.150 0.270 1.00 0.00 O ATOM 120 CB ALA A 11 15.274 6.232 -0.353 1.00 0.00 C ATOM 0 H ALA A 11 17.134 4.716 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 11 17.049 6.174 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.582 6.369 0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.523 7.203 -0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.807 5.607 -1.115 1.00 0.00 H new ATOM 126 N MET A 12 15.635 4.353 2.027 1.00 0.00 N ATOM 127 CA MET A 12 14.609 3.476 2.547 1.00 0.00 C ATOM 128 C MET A 12 13.350 4.307 2.726 1.00 0.00 C ATOM 129 O MET A 12 13.365 5.543 2.641 1.00 0.00 O ATOM 130 CB MET A 12 15.009 2.856 3.898 1.00 0.00 C ATOM 131 CG MET A 12 16.117 1.852 3.659 1.00 0.00 C ATOM 132 SD MET A 12 16.196 0.464 4.826 1.00 0.00 S ATOM 133 CE MET A 12 14.808 -0.493 4.159 1.00 0.00 C ATOM 0 H MET A 12 15.887 5.097 2.677 1.00 0.00 H new ATOM 0 HA MET A 12 14.455 2.653 1.849 1.00 0.00 H new ATOM 0 HB2 MET A 12 15.344 3.632 4.586 1.00 0.00 H new ATOM 0 HB3 MET A 12 14.150 2.369 4.360 1.00 0.00 H new ATOM 0 HG2 MET A 12 16.005 1.449 2.652 1.00 0.00 H new ATOM 0 HG3 MET A 12 17.071 2.379 3.687 1.00 0.00 H new ATOM 0 HE1 MET A 12 14.181 -0.845 4.979 1.00 0.00 H new ATOM 0 HE2 MET A 12 14.217 0.138 3.495 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.190 -1.348 3.602 1.00 0.00 H new ATOM 143 N TYR A 13 12.288 3.576 2.999 1.00 0.00 N ATOM 144 CA TYR A 13 10.913 3.946 3.213 1.00 0.00 C ATOM 145 C TYR A 13 10.171 2.674 3.649 1.00 0.00 C ATOM 146 O TYR A 13 10.688 1.566 3.460 1.00 0.00 O ATOM 147 CB TYR A 13 10.316 4.592 1.947 1.00 0.00 C ATOM 148 CG TYR A 13 10.935 4.268 0.590 1.00 0.00 C ATOM 149 CD1 TYR A 13 11.357 2.960 0.289 1.00 0.00 C ATOM 150 CD2 TYR A 13 11.177 5.309 -0.336 1.00 0.00 C ATOM 151 CE1 TYR A 13 12.170 2.726 -0.826 1.00 0.00 C ATOM 152 CE2 TYR A 13 11.929 5.070 -1.501 1.00 0.00 C ATOM 153 CZ TYR A 13 12.487 3.790 -1.699 1.00 0.00 C ATOM 154 OH TYR A 13 13.347 3.594 -2.724 1.00 0.00 O ATOM 0 H TYR A 13 12.392 2.565 3.087 1.00 0.00 H new ATOM 0 HA TYR A 13 10.817 4.702 3.992 1.00 0.00 H new ATOM 0 HB2 TYR A 13 9.262 4.317 1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.358 5.673 2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.054 2.136 0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.781 6.296 -0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.554 1.735 -1.018 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.076 5.853 -2.230 1.00 0.00 H new ATOM 0 HH TYR A 13 14.030 4.297 -2.717 1.00 0.00 H new ATOM 164 N GLU A 14 9.006 2.824 4.271 1.00 0.00 N ATOM 165 CA GLU A 14 8.159 1.744 4.762 1.00 0.00 C ATOM 166 C GLU A 14 6.721 2.287 4.769 1.00 0.00 C ATOM 167 O GLU A 14 6.412 3.236 5.490 1.00 0.00 O ATOM 168 CB GLU A 14 8.663 1.276 6.130 1.00 0.00 C ATOM 169 CG GLU A 14 7.750 0.251 6.799 1.00 0.00 C ATOM 170 CD GLU A 14 8.459 -0.386 8.001 1.00 0.00 C ATOM 171 OE1 GLU A 14 8.728 0.309 9.009 1.00 0.00 O ATOM 172 OE2 GLU A 14 8.824 -1.580 7.908 1.00 0.00 O ATOM 0 H GLU A 14 8.609 3.745 4.455 1.00 0.00 H new ATOM 0 HA GLU A 14 8.187 0.856 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.657 0.844 6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.766 2.141 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.828 0.732 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.470 -0.521 6.082 1.00 0.00 H new ATOM 179 N VAL A 15 5.853 1.762 3.908 1.00 0.00 N ATOM 180 CA VAL A 15 4.437 2.111 3.856 1.00 0.00 C ATOM 181 C VAL A 15 3.688 1.354 4.970 1.00 0.00 C ATOM 182 O VAL A 15 4.146 0.303 5.431 1.00 0.00 O ATOM 183 CB VAL A 15 3.918 1.838 2.422 1.00 0.00 C ATOM 184 CG1 VAL A 15 3.838 0.359 2.048 1.00 0.00 C ATOM 185 CG2 VAL A 15 2.572 2.492 2.130 1.00 0.00 C ATOM 0 H VAL A 15 6.121 1.067 3.212 1.00 0.00 H new ATOM 0 HA VAL A 15 4.263 3.169 4.051 1.00 0.00 H new ATOM 0 HB VAL A 15 4.683 2.301 1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.465 0.261 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.830 -0.088 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.162 -0.153 2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.269 2.260 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.824 2.112 2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.660 3.572 2.246 1.00 0.00 H new ATOM 195 N THR A 16 2.512 1.839 5.383 1.00 0.00 N ATOM 196 CA THR A 16 1.532 1.039 6.104 1.00 0.00 C ATOM 197 C THR A 16 0.168 1.355 5.503 1.00 0.00 C ATOM 198 O THR A 16 -0.006 2.416 4.893 1.00 0.00 O ATOM 199 CB THR A 16 1.545 1.350 7.612 1.00 0.00 C ATOM 200 OG1 THR A 16 1.702 2.733 7.837 1.00 0.00 O ATOM 201 CG2 THR A 16 2.675 0.685 8.392 1.00 0.00 C ATOM 0 H THR A 16 2.218 2.802 5.223 1.00 0.00 H new ATOM 0 HA THR A 16 1.768 -0.020 6.005 1.00 0.00 H new ATOM 0 HB THR A 16 0.589 0.961 7.962 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.706 2.909 8.801 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.603 0.962 9.444 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.596 -0.398 8.295 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.635 1.015 7.995 1.00 0.00 H new ATOM 209 N ILE A 17 -0.790 0.464 5.722 1.00 0.00 N ATOM 210 CA ILE A 17 -2.191 0.603 5.378 1.00 0.00 C ATOM 211 C ILE A 17 -2.969 0.252 6.636 1.00 0.00 C ATOM 212 O ILE A 17 -2.569 -0.650 7.368 1.00 0.00 O ATOM 213 CB ILE A 17 -2.526 -0.337 4.198 1.00 0.00 C ATOM 214 CG1 ILE A 17 -4.016 -0.365 3.799 1.00 0.00 C ATOM 215 CG2 ILE A 17 -2.079 -1.784 4.425 1.00 0.00 C ATOM 216 CD1 ILE A 17 -4.586 1.001 3.445 1.00 0.00 C ATOM 0 H ILE A 17 -0.593 -0.429 6.173 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.448 1.611 5.053 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.955 0.106 3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.141 -1.032 2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.594 -0.787 4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.346 -2.388 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.999 -1.813 4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.574 -2.183 5.311 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.637 0.898 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.495 1.667 4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.035 1.418 2.602 1.00 0.00 H new ATOM 228 N GLU A 18 -4.073 0.941 6.868 1.00 0.00 N ATOM 229 CA GLU A 18 -5.063 0.675 7.880 1.00 0.00 C ATOM 230 C GLU A 18 -6.420 0.725 7.188 1.00 0.00 C ATOM 231 O GLU A 18 -6.672 1.579 6.329 1.00 0.00 O ATOM 232 CB GLU A 18 -4.970 1.715 9.001 1.00 0.00 C ATOM 233 CG GLU A 18 -3.846 1.418 9.989 1.00 0.00 C ATOM 234 CD GLU A 18 -4.042 2.214 11.271 1.00 0.00 C ATOM 235 OE1 GLU A 18 -4.876 1.813 12.117 1.00 0.00 O ATOM 236 OE2 GLU A 18 -3.426 3.294 11.436 1.00 0.00 O ATOM 0 H GLU A 18 -4.312 1.760 6.309 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.908 -0.300 8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.813 2.701 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.919 1.751 9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.824 0.352 10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.884 1.668 9.541 1.00 0.00 H new ATOM 243 N GLN A 19 -7.286 -0.208 7.566 1.00 0.00 N ATOM 244 CA GLN A 19 -8.653 -0.323 7.101 1.00 0.00 C ATOM 245 C GLN A 19 -9.572 0.180 8.211 1.00 0.00 C ATOM 246 O GLN A 19 -9.287 0.003 9.398 1.00 0.00 O ATOM 247 CB GLN A 19 -8.939 -1.792 6.764 1.00 0.00 C ATOM 248 CG GLN A 19 -8.444 -2.169 5.365 1.00 0.00 C ATOM 249 CD GLN A 19 -8.673 -3.649 5.060 1.00 0.00 C ATOM 250 OE1 GLN A 19 -9.532 -4.003 4.253 1.00 0.00 O ATOM 251 NE2 GLN A 19 -7.911 -4.535 5.673 1.00 0.00 N ATOM 0 H GLN A 19 -7.038 -0.936 8.236 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.821 0.272 6.203 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.459 -2.433 7.503 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.011 -1.977 6.831 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.959 -1.561 4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.381 -1.941 5.282 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.203 -4.225 6.339 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.029 -5.530 5.481 1.00 0.00 H new ATOM 260 N SER A 20 -10.672 0.825 7.831 1.00 0.00 N ATOM 261 CA SER A 20 -11.629 1.439 8.737 1.00 0.00 C ATOM 262 C SER A 20 -12.997 1.498 8.044 1.00 0.00 C ATOM 263 O SER A 20 -13.099 1.187 6.851 1.00 0.00 O ATOM 264 CB SER A 20 -11.056 2.808 9.112 1.00 0.00 C ATOM 265 OG SER A 20 -11.908 3.552 9.944 1.00 0.00 O ATOM 0 H SER A 20 -10.927 0.936 6.850 1.00 0.00 H new ATOM 0 HA SER A 20 -11.785 0.874 9.656 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.098 2.669 9.613 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.860 3.375 8.202 1.00 0.00 H new ATOM 0 HG SER A 20 -11.491 4.414 10.152 1.00 0.00 H new ATOM 271 N GLY A 21 -14.042 1.856 8.792 1.00 0.00 N ATOM 272 CA GLY A 21 -15.437 1.685 8.401 1.00 0.00 C ATOM 273 C GLY A 21 -15.720 0.224 8.033 1.00 0.00 C ATOM 274 O GLY A 21 -15.163 -0.696 8.650 1.00 0.00 O ATOM 0 H GLY A 21 -13.935 2.284 9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.089 1.993 9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.664 2.330 7.552 1.00 0.00 H new ATOM 278 N ASP A 22 -16.627 -0.018 7.086 1.00 0.00 N ATOM 279 CA ASP A 22 -16.925 -1.354 6.573 1.00 0.00 C ATOM 280 C ASP A 22 -15.938 -1.736 5.479 1.00 0.00 C ATOM 281 O ASP A 22 -16.099 -1.367 4.325 1.00 0.00 O ATOM 282 CB ASP A 22 -18.346 -1.466 6.021 1.00 0.00 C ATOM 283 CG ASP A 22 -18.693 -2.962 5.983 1.00 0.00 C ATOM 284 OD1 ASP A 22 -17.924 -3.777 5.427 1.00 0.00 O ATOM 285 OD2 ASP A 22 -19.660 -3.316 6.710 1.00 0.00 O ATOM 0 H ASP A 22 -17.182 0.718 6.649 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.835 -2.037 7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -19.049 -0.922 6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -18.409 -1.030 5.024 1.00 0.00 H new ATOM 290 N PHE A 23 -14.880 -2.462 5.808 1.00 0.00 N ATOM 291 CA PHE A 23 -13.840 -2.776 4.834 1.00 0.00 C ATOM 292 C PHE A 23 -14.028 -4.156 4.190 1.00 0.00 C ATOM 293 O PHE A 23 -13.137 -4.621 3.471 1.00 0.00 O ATOM 294 CB PHE A 23 -12.478 -2.547 5.491 1.00 0.00 C ATOM 295 CG PHE A 23 -12.276 -3.122 6.886 1.00 0.00 C ATOM 296 CD1 PHE A 23 -11.955 -4.478 7.072 1.00 0.00 C ATOM 297 CD2 PHE A 23 -12.328 -2.265 8.004 1.00 0.00 C ATOM 298 CE1 PHE A 23 -11.663 -4.963 8.360 1.00 0.00 C ATOM 299 CE2 PHE A 23 -12.028 -2.744 9.290 1.00 0.00 C ATOM 300 CZ PHE A 23 -11.685 -4.095 9.469 1.00 0.00 C ATOM 0 H PHE A 23 -14.717 -2.845 6.739 1.00 0.00 H new ATOM 0 HA PHE A 23 -13.910 -2.102 3.980 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.713 -2.966 4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.302 -1.472 5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.933 -5.148 6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.601 -1.229 7.870 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -11.421 -6.006 8.499 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.061 -2.076 10.138 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.439 -4.466 10.453 1.00 0.00 H new ATOM 310 N ARG A 24 -15.160 -4.826 4.441 1.00 0.00 N ATOM 311 CA ARG A 24 -15.266 -6.280 4.305 1.00 0.00 C ATOM 312 C ARG A 24 -15.807 -6.745 2.962 1.00 0.00 C ATOM 313 O ARG A 24 -15.847 -7.951 2.727 1.00 0.00 O ATOM 314 CB ARG A 24 -16.149 -6.835 5.429 1.00 0.00 C ATOM 315 CG ARG A 24 -15.532 -6.565 6.806 1.00 0.00 C ATOM 316 CD ARG A 24 -16.427 -7.137 7.902 1.00 0.00 C ATOM 317 NE ARG A 24 -15.802 -6.988 9.224 1.00 0.00 N ATOM 318 CZ ARG A 24 -16.369 -6.510 10.336 1.00 0.00 C ATOM 319 NH1 ARG A 24 -17.596 -6.006 10.348 1.00 0.00 N ATOM 320 NH2 ARG A 24 -15.674 -6.551 11.463 1.00 0.00 N ATOM 0 H ARG A 24 -16.024 -4.375 4.743 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.249 -6.665 4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -17.138 -6.380 5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -16.284 -7.908 5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.541 -7.014 6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -15.405 -5.492 6.952 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -17.391 -6.628 7.892 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -16.621 -8.191 7.704 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.828 -7.282 9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -18.142 -5.973 9.487 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -17.993 -5.651 11.218 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.731 -6.940 11.467 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.082 -6.193 12.327 1.00 0.00 H new ATOM 334 N SER A 25 -16.237 -5.838 2.088 1.00 0.00 N ATOM 335 CA SER A 25 -17.044 -6.191 0.928 1.00 0.00 C ATOM 336 C SER A 25 -16.425 -5.637 -0.360 1.00 0.00 C ATOM 337 O SER A 25 -17.145 -5.439 -1.338 1.00 0.00 O ATOM 338 CB SER A 25 -18.482 -5.707 1.198 1.00 0.00 C ATOM 339 OG SER A 25 -19.450 -6.435 0.455 1.00 0.00 O ATOM 0 H SER A 25 -16.035 -4.841 2.166 1.00 0.00 H new ATOM 0 HA SER A 25 -17.073 -7.270 0.774 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.700 -5.801 2.262 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.558 -4.649 0.949 1.00 0.00 H new ATOM 0 HG SER A 25 -19.182 -6.469 -0.487 1.00 0.00 H new ATOM 345 N PHE A 26 -15.114 -5.367 -0.388 1.00 0.00 N ATOM 346 CA PHE A 26 -14.468 -4.551 -1.413 1.00 0.00 C ATOM 347 C PHE A 26 -13.163 -5.197 -1.883 1.00 0.00 C ATOM 348 O PHE A 26 -12.264 -5.386 -1.058 1.00 0.00 O ATOM 349 CB PHE A 26 -14.224 -3.160 -0.806 1.00 0.00 C ATOM 350 CG PHE A 26 -15.479 -2.411 -0.392 1.00 0.00 C ATOM 351 CD1 PHE A 26 -16.590 -2.372 -1.254 1.00 0.00 C ATOM 352 CD2 PHE A 26 -15.560 -1.778 0.864 1.00 0.00 C ATOM 353 CE1 PHE A 26 -17.790 -1.777 -0.841 1.00 0.00 C ATOM 354 CE2 PHE A 26 -16.751 -1.132 1.248 1.00 0.00 C ATOM 355 CZ PHE A 26 -17.873 -1.148 0.409 1.00 0.00 C ATOM 0 H PHE A 26 -14.464 -5.718 0.316 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.104 -4.466 -2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.580 -3.269 0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.680 -2.554 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.518 -2.804 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.711 -1.788 1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.654 -1.803 -1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.800 -0.620 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.794 -0.680 0.723 1.00 0.00 H new ATOM 365 N ILE A 27 -13.060 -5.556 -3.175 1.00 0.00 N ATOM 366 CA ILE A 27 -11.848 -6.148 -3.755 1.00 0.00 C ATOM 367 C ILE A 27 -10.760 -5.080 -3.724 1.00 0.00 C ATOM 368 O ILE A 27 -10.834 -4.088 -4.447 1.00 0.00 O ATOM 369 CB ILE A 27 -12.019 -6.715 -5.193 1.00 0.00 C ATOM 370 CG1 ILE A 27 -13.356 -7.459 -5.411 1.00 0.00 C ATOM 371 CG2 ILE A 27 -10.803 -7.608 -5.512 1.00 0.00 C ATOM 372 CD1 ILE A 27 -13.515 -8.095 -6.799 1.00 0.00 C ATOM 0 H ILE A 27 -13.820 -5.442 -3.846 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.586 -7.019 -3.155 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.059 -5.876 -5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.450 -8.239 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.176 -6.759 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.905 -8.016 -6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.890 -7.015 -5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.753 -8.425 -4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -14.482 -8.595 -6.862 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -13.457 -7.320 -7.563 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.719 -8.823 -6.959 1.00 0.00 H new ATOM 384 N LYS A 28 -9.785 -5.272 -2.842 1.00 0.00 N ATOM 385 CA LYS A 28 -8.654 -4.377 -2.655 1.00 0.00 C ATOM 386 C LYS A 28 -7.609 -4.657 -3.729 1.00 0.00 C ATOM 387 O LYS A 28 -7.466 -5.804 -4.171 1.00 0.00 O ATOM 388 CB LYS A 28 -8.072 -4.648 -1.265 1.00 0.00 C ATOM 389 CG LYS A 28 -9.039 -4.301 -0.112 1.00 0.00 C ATOM 390 CD LYS A 28 -8.975 -5.317 1.041 1.00 0.00 C ATOM 391 CE LYS A 28 -9.968 -6.484 0.962 1.00 0.00 C ATOM 392 NZ LYS A 28 -11.262 -6.221 1.629 1.00 0.00 N ATOM 0 H LYS A 28 -9.761 -6.080 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.962 -3.334 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.798 -5.701 -1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.155 -4.071 -1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.801 -3.308 0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.058 -4.259 -0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.966 -5.726 1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.143 -4.785 1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.153 -6.720 -0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.512 -7.366 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.607 -7.095 2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.135 -5.489 2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.955 -5.893 0.926 1.00 0.00 H new ATOM 406 N SER A 29 -6.841 -3.651 -4.135 1.00 0.00 N ATOM 407 CA SER A 29 -5.672 -3.831 -4.988 1.00 0.00 C ATOM 408 C SER A 29 -4.668 -2.722 -4.677 1.00 0.00 C ATOM 409 O SER A 29 -5.074 -1.560 -4.576 1.00 0.00 O ATOM 410 CB SER A 29 -6.103 -3.757 -6.464 1.00 0.00 C ATOM 411 OG SER A 29 -7.235 -4.569 -6.743 1.00 0.00 O ATOM 0 H SER A 29 -7.014 -2.679 -3.879 1.00 0.00 H new ATOM 0 HA SER A 29 -5.213 -4.802 -4.804 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.330 -2.722 -6.721 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.272 -4.068 -7.097 1.00 0.00 H new ATOM 0 HG SER A 29 -7.471 -4.487 -7.691 1.00 0.00 H new ATOM 417 N VAL A 30 -3.368 -3.030 -4.598 1.00 0.00 N ATOM 418 CA VAL A 30 -2.299 -2.032 -4.508 1.00 0.00 C ATOM 419 C VAL A 30 -1.164 -2.455 -5.448 1.00 0.00 C ATOM 420 O VAL A 30 -0.803 -3.635 -5.489 1.00 0.00 O ATOM 421 CB VAL A 30 -1.827 -1.857 -3.042 1.00 0.00 C ATOM 422 CG1 VAL A 30 -0.712 -0.810 -2.892 1.00 0.00 C ATOM 423 CG2 VAL A 30 -2.967 -1.443 -2.095 1.00 0.00 C ATOM 0 H VAL A 30 -3.026 -3.991 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.664 -1.054 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.451 -2.843 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.424 -0.733 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.152 -1.111 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.072 0.158 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.578 -1.335 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.387 -0.493 -2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.744 -2.207 -2.106 1.00 0.00 H new ATOM 433 N VAL A 31 -0.565 -1.493 -6.154 1.00 0.00 N ATOM 434 CA VAL A 31 0.651 -1.582 -6.953 1.00 0.00 C ATOM 435 C VAL A 31 1.786 -0.873 -6.202 1.00 0.00 C ATOM 436 O VAL A 31 1.636 0.284 -5.786 1.00 0.00 O ATOM 437 CB VAL A 31 0.431 -0.895 -8.321 1.00 0.00 C ATOM 438 CG1 VAL A 31 1.700 -0.989 -9.180 1.00 0.00 C ATOM 439 CG2 VAL A 31 -0.769 -1.436 -9.111 1.00 0.00 C ATOM 0 H VAL A 31 -0.956 -0.551 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 31 0.907 -2.628 -7.118 1.00 0.00 H new ATOM 0 HB VAL A 31 0.204 0.146 -8.091 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.527 -0.501 -10.139 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.525 -0.497 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.950 -2.037 -9.346 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.853 -0.901 -10.057 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.627 -2.499 -9.306 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.681 -1.293 -8.531 1.00 0.00 H new ATOM 449 N VAL A 32 2.938 -1.538 -6.107 1.00 0.00 N ATOM 450 CA VAL A 32 4.168 -1.062 -5.486 1.00 0.00 C ATOM 451 C VAL A 32 5.322 -1.196 -6.485 1.00 0.00 C ATOM 452 O VAL A 32 5.191 -1.877 -7.508 1.00 0.00 O ATOM 453 CB VAL A 32 4.376 -1.787 -4.140 1.00 0.00 C ATOM 454 CG1 VAL A 32 4.903 -3.209 -4.315 1.00 0.00 C ATOM 455 CG2 VAL A 32 5.321 -1.082 -3.174 1.00 0.00 C ATOM 0 H VAL A 32 3.040 -2.480 -6.485 1.00 0.00 H new ATOM 0 HA VAL A 32 4.115 -0.002 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 32 3.373 -1.788 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.031 -3.673 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.192 -3.791 -4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.863 -3.180 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.405 -1.665 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.305 -0.984 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.930 -0.092 -2.940 1.00 0.00 H new ATOM 465 N VAL A 33 6.464 -0.564 -6.214 1.00 0.00 N ATOM 466 CA VAL A 33 7.744 -0.957 -6.795 1.00 0.00 C ATOM 467 C VAL A 33 8.807 -0.853 -5.702 1.00 0.00 C ATOM 468 O VAL A 33 8.563 -0.229 -4.672 1.00 0.00 O ATOM 469 CB VAL A 33 8.041 -0.126 -8.066 1.00 0.00 C ATOM 470 CG1 VAL A 33 8.550 1.299 -7.808 1.00 0.00 C ATOM 471 CG2 VAL A 33 9.039 -0.846 -8.990 1.00 0.00 C ATOM 0 H VAL A 33 6.526 0.236 -5.584 1.00 0.00 H new ATOM 0 HA VAL A 33 7.732 -1.991 -7.140 1.00 0.00 H new ATOM 0 HB VAL A 33 7.067 -0.031 -8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.729 1.799 -8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.804 1.855 -7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.480 1.256 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.224 -0.234 -9.873 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.976 -1.008 -8.457 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.624 -1.807 -9.295 1.00 0.00 H new ATOM 481 N ALA A 34 9.976 -1.450 -5.925 1.00 0.00 N ATOM 482 CA ALA A 34 11.194 -1.156 -5.195 1.00 0.00 C ATOM 483 C ALA A 34 12.308 -1.180 -6.231 1.00 0.00 C ATOM 484 O ALA A 34 12.713 -2.259 -6.672 1.00 0.00 O ATOM 485 CB ALA A 34 11.431 -2.168 -4.075 1.00 0.00 C ATOM 0 H ALA A 34 10.099 -2.169 -6.638 1.00 0.00 H new ATOM 0 HA ALA A 34 11.142 -0.187 -4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.352 -1.918 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.594 -2.140 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.516 -3.168 -4.500 1.00 0.00 H new ATOM 491 N ASN A 35 12.739 -0.009 -6.696 1.00 0.00 N ATOM 492 CA ASN A 35 13.814 0.089 -7.683 1.00 0.00 C ATOM 493 C ASN A 35 15.108 -0.401 -7.034 1.00 0.00 C ATOM 494 O ASN A 35 15.655 0.300 -6.184 1.00 0.00 O ATOM 495 CB ASN A 35 13.952 1.538 -8.175 1.00 0.00 C ATOM 496 CG ASN A 35 14.976 1.737 -9.289 1.00 0.00 C ATOM 497 OD1 ASN A 35 15.885 0.942 -9.514 1.00 0.00 O ATOM 498 ND2 ASN A 35 14.863 2.837 -10.008 1.00 0.00 N ATOM 0 H ASN A 35 12.358 0.891 -6.403 1.00 0.00 H new ATOM 0 HA ASN A 35 13.589 -0.530 -8.552 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.980 1.882 -8.528 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.226 2.170 -7.330 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.532 3.030 -10.754 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.107 3.495 -9.818 1.00 0.00 H new ATOM 505 N GLY A 36 15.584 -1.592 -7.395 1.00 0.00 N ATOM 506 CA GLY A 36 16.933 -2.035 -7.068 1.00 0.00 C ATOM 507 C GLY A 36 17.060 -2.909 -5.819 1.00 0.00 C ATOM 508 O GLY A 36 18.193 -3.192 -5.424 1.00 0.00 O ATOM 0 H GLY A 36 15.042 -2.276 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.330 -2.589 -7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.563 -1.155 -6.939 1.00 0.00 H new ATOM 512 N THR A 37 15.960 -3.329 -5.184 1.00 0.00 N ATOM 513 CA THR A 37 15.997 -4.378 -4.163 1.00 0.00 C ATOM 514 C THR A 37 14.620 -5.060 -4.078 1.00 0.00 C ATOM 515 O THR A 37 13.735 -4.792 -4.903 1.00 0.00 O ATOM 516 CB THR A 37 16.515 -3.785 -2.837 1.00 0.00 C ATOM 517 OG1 THR A 37 17.113 -4.790 -2.043 1.00 0.00 O ATOM 518 CG2 THR A 37 15.411 -3.114 -2.026 1.00 0.00 C ATOM 0 H THR A 37 15.028 -2.954 -5.362 1.00 0.00 H new ATOM 0 HA THR A 37 16.700 -5.169 -4.425 1.00 0.00 H new ATOM 0 HB THR A 37 17.251 -3.027 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.438 -4.396 -1.206 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.830 -2.714 -1.103 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.974 -2.303 -2.608 1.00 0.00 H new ATOM 0 HG23 THR A 37 14.639 -3.846 -1.787 1.00 0.00 H new ATOM 526 N GLN A 38 14.444 -5.964 -3.117 1.00 0.00 N ATOM 527 CA GLN A 38 13.220 -6.713 -2.902 1.00 0.00 C ATOM 528 C GLN A 38 12.297 -6.013 -1.907 1.00 0.00 C ATOM 529 O GLN A 38 12.696 -5.102 -1.173 1.00 0.00 O ATOM 530 CB GLN A 38 13.586 -8.136 -2.457 1.00 0.00 C ATOM 531 CG GLN A 38 13.882 -8.997 -3.688 1.00 0.00 C ATOM 532 CD GLN A 38 15.187 -8.661 -4.413 1.00 0.00 C ATOM 533 OE1 GLN A 38 16.233 -8.358 -3.835 1.00 0.00 O ATOM 534 NE2 GLN A 38 15.180 -8.790 -5.723 1.00 0.00 N ATOM 0 H GLN A 38 15.177 -6.199 -2.448 1.00 0.00 H new ATOM 0 HA GLN A 38 12.659 -6.769 -3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.456 -8.111 -1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.767 -8.571 -1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.912 -10.043 -3.383 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.056 -8.894 -4.392 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.317 -9.041 -6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.037 -8.639 -6.255 1.00 0.00 H new ATOM 543 N LEU A 39 11.042 -6.451 -1.900 1.00 0.00 N ATOM 544 CA LEU A 39 10.030 -6.043 -0.948 1.00 0.00 C ATOM 545 C LEU A 39 10.075 -6.994 0.239 1.00 0.00 C ATOM 546 O LEU A 39 10.598 -8.100 0.122 1.00 0.00 O ATOM 547 CB LEU A 39 8.660 -6.114 -1.639 1.00 0.00 C ATOM 548 CG LEU A 39 7.617 -5.174 -1.025 1.00 0.00 C ATOM 549 CD1 LEU A 39 7.937 -3.719 -1.384 1.00 0.00 C ATOM 550 CD2 LEU A 39 6.217 -5.530 -1.531 1.00 0.00 C ATOM 0 H LEU A 39 10.695 -7.124 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 39 10.205 -5.025 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.781 -5.870 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.289 -7.138 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 39 7.645 -5.290 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.188 -3.062 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.923 -3.457 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.928 -3.601 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.487 -4.854 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.187 -5.434 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.979 -6.556 -1.251 1.00 0.00 H new ATOM 562 N LYS A 40 9.475 -6.590 1.352 1.00 0.00 N ATOM 563 CA LYS A 40 9.298 -7.393 2.552 1.00 0.00 C ATOM 564 C LYS A 40 7.816 -7.395 2.876 1.00 0.00 C ATOM 565 O LYS A 40 7.249 -6.328 3.124 1.00 0.00 O ATOM 566 CB LYS A 40 10.125 -6.811 3.702 1.00 0.00 C ATOM 567 CG LYS A 40 10.113 -7.743 4.920 1.00 0.00 C ATOM 568 CD LYS A 40 10.733 -7.053 6.142 1.00 0.00 C ATOM 569 CE LYS A 40 10.977 -8.056 7.278 1.00 0.00 C ATOM 570 NZ LYS A 40 11.657 -7.434 8.431 1.00 0.00 N ATOM 0 H LYS A 40 9.082 -5.653 1.445 1.00 0.00 H new ATOM 0 HA LYS A 40 9.644 -8.415 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.152 -6.653 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.727 -5.836 3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.089 -8.040 5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.666 -8.654 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.675 -6.583 5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.072 -6.259 6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.024 -8.475 7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.579 -8.885 6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.802 -8.147 9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.578 -7.057 8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.071 -6.660 8.803 1.00 0.00 H new ATOM 584 N ASP A 41 7.214 -8.577 2.846 1.00 0.00 N ATOM 585 CA ASP A 41 5.808 -8.786 3.176 1.00 0.00 C ATOM 586 C ASP A 41 5.635 -8.726 4.688 1.00 0.00 C ATOM 587 O ASP A 41 6.188 -9.565 5.400 1.00 0.00 O ATOM 588 CB ASP A 41 5.284 -10.125 2.635 1.00 0.00 C ATOM 589 CG ASP A 41 3.754 -10.075 2.587 1.00 0.00 C ATOM 590 OD1 ASP A 41 3.087 -10.249 3.628 1.00 0.00 O ATOM 591 OD2 ASP A 41 3.220 -9.738 1.504 1.00 0.00 O ATOM 0 H ASP A 41 7.699 -9.436 2.586 1.00 0.00 H new ATOM 0 HA ASP A 41 5.225 -7.997 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.687 -10.313 1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.615 -10.945 3.273 1.00 0.00 H new ATOM 596 N GLY A 42 4.913 -7.736 5.216 1.00 0.00 N ATOM 597 CA GLY A 42 4.817 -7.519 6.655 1.00 0.00 C ATOM 598 C GLY A 42 3.980 -8.560 7.392 1.00 0.00 C ATOM 599 O GLY A 42 3.836 -8.444 8.613 1.00 0.00 O ATOM 0 H GLY A 42 4.382 -7.067 4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.822 -7.512 7.078 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.389 -6.533 6.834 1.00 0.00 H new ATOM 603 N ALA A 43 3.424 -9.566 6.714 1.00 0.00 N ATOM 604 CA ALA A 43 2.796 -10.699 7.374 1.00 0.00 C ATOM 605 C ALA A 43 3.827 -11.565 8.099 1.00 0.00 C ATOM 606 O ALA A 43 3.570 -12.027 9.210 1.00 0.00 O ATOM 607 CB ALA A 43 2.062 -11.523 6.331 1.00 0.00 C ATOM 0 H ALA A 43 3.399 -9.613 5.695 1.00 0.00 H new ATOM 0 HA ALA A 43 2.096 -10.329 8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.585 -12.377 6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.302 -10.907 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.771 -11.877 5.582 1.00 0.00 H new ATOM 613 N THR A 44 4.992 -11.787 7.487 1.00 0.00 N ATOM 614 CA THR A 44 5.986 -12.763 7.945 1.00 0.00 C ATOM 615 C THR A 44 7.419 -12.238 7.866 1.00 0.00 C ATOM 616 O THR A 44 8.303 -12.761 8.545 1.00 0.00 O ATOM 617 CB THR A 44 5.841 -14.057 7.115 1.00 0.00 C ATOM 618 OG1 THR A 44 5.343 -13.767 5.816 1.00 0.00 O ATOM 619 CG2 THR A 44 4.915 -15.039 7.832 1.00 0.00 C ATOM 0 H THR A 44 5.277 -11.286 6.645 1.00 0.00 H new ATOM 0 HA THR A 44 5.792 -12.963 8.999 1.00 0.00 H new ATOM 0 HB THR A 44 6.825 -14.513 7.009 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.260 -14.599 5.304 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.819 -15.948 7.239 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.332 -15.285 8.809 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.933 -14.585 7.961 1.00 0.00 H new ATOM 627 N GLY A 45 7.669 -11.195 7.080 1.00 0.00 N ATOM 628 CA GLY A 45 9.002 -10.728 6.760 1.00 0.00 C ATOM 629 C GLY A 45 9.593 -11.467 5.561 1.00 0.00 C ATOM 630 O GLY A 45 10.813 -11.488 5.410 1.00 0.00 O ATOM 0 H GLY A 45 6.931 -10.644 6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.971 -9.659 6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.651 -10.863 7.625 1.00 0.00 H new ATOM 634 N GLU A 46 8.765 -12.107 4.735 1.00 0.00 N ATOM 635 CA GLU A 46 9.190 -12.801 3.529 1.00 0.00 C ATOM 636 C GLU A 46 9.608 -11.775 2.482 1.00 0.00 C ATOM 637 O GLU A 46 8.869 -10.835 2.181 1.00 0.00 O ATOM 638 CB GLU A 46 8.040 -13.663 2.989 1.00 0.00 C ATOM 639 CG GLU A 46 7.775 -14.886 3.879 1.00 0.00 C ATOM 640 CD GLU A 46 8.886 -15.936 3.832 1.00 0.00 C ATOM 641 OE1 GLU A 46 9.452 -16.200 2.745 1.00 0.00 O ATOM 642 OE2 GLU A 46 9.143 -16.556 4.896 1.00 0.00 O ATOM 0 H GLU A 46 7.759 -12.156 4.893 1.00 0.00 H new ATOM 0 HA GLU A 46 10.035 -13.450 3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.135 -13.060 2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.278 -13.994 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.646 -14.553 4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.837 -15.349 3.574 1.00 0.00 H new ATOM 649 N SER A 47 10.796 -11.959 1.926 1.00 0.00 N ATOM 650 CA SER A 47 11.319 -11.260 0.790 1.00 0.00 C ATOM 651 C SER A 47 10.496 -11.597 -0.459 1.00 0.00 C ATOM 652 O SER A 47 10.245 -12.780 -0.712 1.00 0.00 O ATOM 653 CB SER A 47 12.763 -11.748 0.617 1.00 0.00 C ATOM 654 OG SER A 47 13.382 -12.171 1.835 1.00 0.00 O ATOM 0 H SER A 47 11.454 -12.649 2.290 1.00 0.00 H new ATOM 0 HA SER A 47 11.277 -10.180 0.932 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.774 -12.576 -0.091 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.357 -10.946 0.179 1.00 0.00 H new ATOM 0 HG SER A 47 14.297 -12.470 1.650 1.00 0.00 H new ATOM 660 N LEU A 48 10.103 -10.598 -1.252 1.00 0.00 N ATOM 661 CA LEU A 48 9.374 -10.772 -2.509 1.00 0.00 C ATOM 662 C LEU A 48 10.047 -10.010 -3.641 1.00 0.00 C ATOM 663 O LEU A 48 10.644 -8.950 -3.430 1.00 0.00 O ATOM 664 CB LEU A 48 7.948 -10.224 -2.403 1.00 0.00 C ATOM 665 CG LEU A 48 7.129 -10.646 -1.178 1.00 0.00 C ATOM 666 CD1 LEU A 48 5.814 -9.893 -1.258 1.00 0.00 C ATOM 667 CD2 LEU A 48 6.875 -12.147 -1.155 1.00 0.00 C ATOM 0 H LEU A 48 10.288 -9.620 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 48 9.364 -11.843 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.002 -9.135 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.402 -10.527 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 48 7.674 -10.412 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.190 -10.159 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.008 -8.820 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.298 -10.158 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.292 -12.404 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.324 -12.437 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.827 -12.677 -1.128 1.00 0.00 H new ATOM 679 N ALA A 49 9.866 -10.510 -4.860 1.00 0.00 N ATOM 680 CA ALA A 49 10.377 -9.916 -6.081 1.00 0.00 C ATOM 681 C ALA A 49 9.467 -8.774 -6.532 1.00 0.00 C ATOM 682 O ALA A 49 8.477 -8.968 -7.236 1.00 0.00 O ATOM 683 CB ALA A 49 10.515 -10.994 -7.147 1.00 0.00 C ATOM 0 H ALA A 49 9.341 -11.369 -5.025 1.00 0.00 H new ATOM 0 HA ALA A 49 11.364 -9.489 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.899 -10.550 -8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.205 -11.763 -6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.540 -11.442 -7.340 1.00 0.00 H new ATOM 689 N SER A 50 9.789 -7.568 -6.086 1.00 0.00 N ATOM 690 CA SER A 50 9.124 -6.340 -6.519 1.00 0.00 C ATOM 691 C SER A 50 9.237 -6.138 -8.048 1.00 0.00 C ATOM 692 O SER A 50 10.248 -6.532 -8.631 1.00 0.00 O ATOM 693 CB SER A 50 9.702 -5.135 -5.752 1.00 0.00 C ATOM 694 OG SER A 50 10.749 -5.485 -4.857 1.00 0.00 O ATOM 0 H SER A 50 10.530 -7.409 -5.403 1.00 0.00 H new ATOM 0 HA SER A 50 8.062 -6.426 -6.290 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.076 -4.403 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.901 -4.652 -5.192 1.00 0.00 H new ATOM 0 HG SER A 50 11.609 -5.206 -5.235 1.00 0.00 H new ATOM 700 N PRO A 51 8.302 -5.425 -8.710 1.00 0.00 N ATOM 701 CA PRO A 51 7.030 -4.920 -8.200 1.00 0.00 C ATOM 702 C PRO A 51 6.017 -6.048 -7.988 1.00 0.00 C ATOM 703 O PRO A 51 5.726 -6.827 -8.896 1.00 0.00 O ATOM 704 CB PRO A 51 6.515 -3.951 -9.269 1.00 0.00 C ATOM 705 CG PRO A 51 7.130 -4.470 -10.562 1.00 0.00 C ATOM 706 CD PRO A 51 8.467 -5.044 -10.107 1.00 0.00 C ATOM 0 HA PRO A 51 7.165 -4.440 -7.231 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.426 -3.951 -9.317 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.825 -2.927 -9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.504 -5.230 -11.029 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.262 -3.673 -11.293 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.745 -5.906 -10.714 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.263 -4.307 -10.216 1.00 0.00 H new ATOM 714 N VAL A 52 5.432 -6.094 -6.796 1.00 0.00 N ATOM 715 CA VAL A 52 4.335 -6.991 -6.458 1.00 0.00 C ATOM 716 C VAL A 52 3.039 -6.211 -6.629 1.00 0.00 C ATOM 717 O VAL A 52 3.028 -4.984 -6.563 1.00 0.00 O ATOM 718 CB VAL A 52 4.543 -7.526 -5.017 1.00 0.00 C ATOM 719 CG1 VAL A 52 3.430 -8.462 -4.517 1.00 0.00 C ATOM 720 CG2 VAL A 52 5.870 -8.294 -4.904 1.00 0.00 C ATOM 0 H VAL A 52 5.715 -5.494 -6.021 1.00 0.00 H new ATOM 0 HA VAL A 52 4.295 -7.864 -7.110 1.00 0.00 H new ATOM 0 HB VAL A 52 4.537 -6.631 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.657 -8.788 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.478 -7.931 -4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.365 -9.332 -5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.993 -8.659 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.862 -9.138 -5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.697 -7.630 -5.154 1.00 0.00 H new ATOM 730 N ILE A 53 1.948 -6.932 -6.860 1.00 0.00 N ATOM 731 CA ILE A 53 0.598 -6.419 -6.777 1.00 0.00 C ATOM 732 C ILE A 53 -0.039 -7.157 -5.609 1.00 0.00 C ATOM 733 O ILE A 53 -0.073 -8.390 -5.589 1.00 0.00 O ATOM 734 CB ILE A 53 -0.137 -6.644 -8.109 1.00 0.00 C ATOM 735 CG1 ILE A 53 0.628 -6.100 -9.334 1.00 0.00 C ATOM 736 CG2 ILE A 53 -1.558 -6.055 -8.062 1.00 0.00 C ATOM 737 CD1 ILE A 53 1.204 -4.692 -9.192 1.00 0.00 C ATOM 0 H ILE A 53 1.986 -7.918 -7.117 1.00 0.00 H new ATOM 0 HA ILE A 53 0.558 -5.343 -6.607 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.199 -7.725 -8.235 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.445 -6.785 -9.560 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.044 -6.111 -10.192 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.055 -6.228 -9.016 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.125 -6.536 -7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.502 -4.983 -7.871 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.719 -4.415 -10.112 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.396 -3.986 -9.002 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.909 -4.669 -8.361 1.00 0.00 H new ATOM 749 N LEU A 54 -0.482 -6.408 -4.610 1.00 0.00 N ATOM 750 CA LEU A 54 -1.260 -6.931 -3.504 1.00 0.00 C ATOM 751 C LEU A 54 -2.704 -7.140 -3.965 1.00 0.00 C ATOM 752 O LEU A 54 -3.150 -6.611 -4.989 1.00 0.00 O ATOM 753 CB LEU A 54 -1.184 -5.946 -2.333 1.00 0.00 C ATOM 754 CG LEU A 54 -0.007 -6.060 -1.339 1.00 0.00 C ATOM 755 CD1 LEU A 54 0.477 -7.487 -1.074 1.00 0.00 C ATOM 756 CD2 LEU A 54 1.191 -5.229 -1.785 1.00 0.00 C ATOM 0 H LEU A 54 -0.307 -5.405 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.864 -7.891 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.168 -4.939 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.108 -6.040 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.423 -5.677 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.304 -7.465 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.340 -8.077 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.812 -7.937 -2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.998 -5.335 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.532 -5.576 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.901 -4.181 -1.854 1.00 0.00 H new ATOM 768 N SER A 55 -3.420 -7.924 -3.172 1.00 0.00 N ATOM 769 CA SER A 55 -4.727 -8.494 -3.427 1.00 0.00 C ATOM 770 C SER A 55 -5.648 -8.195 -2.233 1.00 0.00 C ATOM 771 O SER A 55 -5.481 -7.167 -1.581 1.00 0.00 O ATOM 772 CB SER A 55 -4.574 -9.981 -3.774 1.00 0.00 C ATOM 773 OG SER A 55 -3.521 -10.213 -4.697 1.00 0.00 O ATOM 0 H SER A 55 -3.067 -8.199 -2.255 1.00 0.00 H new ATOM 0 HA SER A 55 -5.207 -8.040 -4.294 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.386 -10.547 -2.862 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.509 -10.352 -4.193 1.00 0.00 H new ATOM 0 HG SER A 55 -3.459 -11.172 -4.888 1.00 0.00 H new ATOM 779 N ASP A 56 -6.666 -9.010 -1.982 1.00 0.00 N ATOM 780 CA ASP A 56 -7.627 -8.865 -0.892 1.00 0.00 C ATOM 781 C ASP A 56 -7.221 -9.721 0.314 1.00 0.00 C ATOM 782 O ASP A 56 -7.433 -9.305 1.452 1.00 0.00 O ATOM 783 CB ASP A 56 -9.003 -9.230 -1.475 1.00 0.00 C ATOM 784 CG ASP A 56 -10.068 -9.625 -0.455 1.00 0.00 C ATOM 785 OD1 ASP A 56 -9.996 -10.758 0.059 1.00 0.00 O ATOM 786 OD2 ASP A 56 -11.058 -8.861 -0.336 1.00 0.00 O ATOM 0 H ASP A 56 -6.854 -9.829 -2.560 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.659 -7.846 -0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.372 -8.379 -2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.873 -10.054 -2.176 1.00 0.00 H new ATOM 791 N GLU A 57 -6.537 -10.848 0.077 1.00 0.00 N ATOM 792 CA GLU A 57 -6.092 -11.797 1.100 1.00 0.00 C ATOM 793 C GLU A 57 -5.033 -11.167 1.985 1.00 0.00 C ATOM 794 O GLU A 57 -5.000 -11.409 3.185 1.00 0.00 O ATOM 795 CB GLU A 57 -5.476 -13.058 0.459 1.00 0.00 C ATOM 796 CG GLU A 57 -6.422 -14.252 0.283 1.00 0.00 C ATOM 797 CD GLU A 57 -6.777 -14.930 1.605 1.00 0.00 C ATOM 798 OE1 GLU A 57 -6.008 -15.812 2.065 1.00 0.00 O ATOM 799 OE2 GLU A 57 -7.830 -14.594 2.187 1.00 0.00 O ATOM 0 H GLU A 57 -6.270 -11.132 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.969 -12.069 1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.079 -12.787 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.631 -13.376 1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.337 -13.915 -0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.958 -14.982 -0.381 1.00 0.00 H new ATOM 806 N GLU A 58 -4.115 -10.401 1.401 1.00 0.00 N ATOM 807 CA GLU A 58 -3.029 -9.785 2.098 1.00 0.00 C ATOM 808 C GLU A 58 -3.509 -8.790 3.155 1.00 0.00 C ATOM 809 O GLU A 58 -2.866 -8.632 4.189 1.00 0.00 O ATOM 810 CB GLU A 58 -2.221 -9.144 0.978 1.00 0.00 C ATOM 811 CG GLU A 58 -2.921 -7.982 0.261 1.00 0.00 C ATOM 812 CD GLU A 58 -2.661 -6.591 0.870 1.00 0.00 C ATOM 813 OE1 GLU A 58 -1.960 -6.476 1.898 1.00 0.00 O ATOM 814 OE2 GLU A 58 -3.098 -5.590 0.252 1.00 0.00 O ATOM 0 H GLU A 58 -4.121 -10.196 0.402 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.434 -10.488 2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.279 -8.783 1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.975 -9.910 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.601 -7.972 -0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.995 -8.168 0.262 1.00 0.00 H new ATOM 821 N LEU A 59 -4.665 -8.171 2.916 1.00 0.00 N ATOM 822 CA LEU A 59 -5.321 -7.166 3.747 1.00 0.00 C ATOM 823 C LEU A 59 -6.260 -7.817 4.785 1.00 0.00 C ATOM 824 O LEU A 59 -7.233 -7.201 5.212 1.00 0.00 O ATOM 825 CB LEU A 59 -6.023 -6.161 2.803 1.00 0.00 C ATOM 826 CG LEU A 59 -5.192 -4.881 2.576 1.00 0.00 C ATOM 827 CD1 LEU A 59 -5.631 -4.119 1.323 1.00 0.00 C ATOM 828 CD2 LEU A 59 -5.281 -3.913 3.745 1.00 0.00 C ATOM 0 H LEU A 59 -5.205 -8.375 2.075 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.594 -6.620 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.213 -6.641 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.992 -5.891 3.222 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.167 -5.234 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.017 -3.226 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.512 -4.758 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.677 -3.829 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.678 -3.030 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.319 -3.616 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.910 -4.398 4.648 1.00 0.00 H new ATOM 840 N ALA A 60 -5.991 -9.052 5.221 1.00 0.00 N ATOM 841 CA ALA A 60 -6.870 -9.838 6.083 1.00 0.00 C ATOM 842 C ALA A 60 -6.728 -9.523 7.582 1.00 0.00 C ATOM 843 O ALA A 60 -7.194 -10.309 8.405 1.00 0.00 O ATOM 844 CB ALA A 60 -6.686 -11.333 5.797 1.00 0.00 C ATOM 0 H ALA A 60 -5.131 -9.543 4.975 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.891 -9.547 5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.345 -11.911 6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.931 -11.537 4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.651 -11.615 5.988 1.00 0.00 H new ATOM 850 N VAL A 61 -6.142 -8.401 7.988 1.00 0.00 N ATOM 851 CA VAL A 61 -6.217 -7.883 9.358 1.00 0.00 C ATOM 852 C VAL A 61 -6.775 -6.452 9.304 1.00 0.00 C ATOM 853 O VAL A 61 -7.414 -6.073 8.322 1.00 0.00 O ATOM 854 CB VAL A 61 -4.882 -8.037 10.122 1.00 0.00 C ATOM 855 CG1 VAL A 61 -4.315 -9.457 10.132 1.00 0.00 C ATOM 856 CG2 VAL A 61 -3.764 -7.147 9.591 1.00 0.00 C ATOM 0 H VAL A 61 -5.590 -7.812 7.365 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.907 -8.481 9.952 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.172 -7.741 11.130 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.379 -9.471 10.690 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.029 -10.131 10.605 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.132 -9.783 9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.859 -7.311 10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.569 -7.391 8.547 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.063 -6.102 9.669 1.00 0.00 H new ATOM 866 N GLU A 62 -6.624 -5.678 10.378 1.00 0.00 N ATOM 867 CA GLU A 62 -6.902 -4.244 10.386 1.00 0.00 C ATOM 868 C GLU A 62 -5.812 -3.406 9.696 1.00 0.00 C ATOM 869 O GLU A 62 -6.123 -2.346 9.155 1.00 0.00 O ATOM 870 CB GLU A 62 -7.115 -3.780 11.834 1.00 0.00 C ATOM 871 CG GLU A 62 -5.865 -3.972 12.702 1.00 0.00 C ATOM 872 CD GLU A 62 -6.088 -3.519 14.140 1.00 0.00 C ATOM 873 OE1 GLU A 62 -5.962 -2.308 14.417 1.00 0.00 O ATOM 874 OE2 GLU A 62 -6.363 -4.378 15.007 1.00 0.00 O ATOM 0 H GLU A 62 -6.301 -6.034 11.278 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.809 -4.083 9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.397 -2.727 11.837 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.946 -4.334 12.271 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.577 -5.023 12.694 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.036 -3.412 12.271 1.00 0.00 H new ATOM 881 N LYS A 63 -4.537 -3.827 9.714 1.00 0.00 N ATOM 882 CA LYS A 63 -3.388 -2.957 9.420 1.00 0.00 C ATOM 883 C LYS A 63 -2.204 -3.747 8.880 1.00 0.00 C ATOM 884 O LYS A 63 -1.858 -4.750 9.513 1.00 0.00 O ATOM 885 CB LYS A 63 -3.033 -2.238 10.734 1.00 0.00 C ATOM 886 CG LYS A 63 -1.891 -1.216 10.656 1.00 0.00 C ATOM 887 CD LYS A 63 -0.529 -1.793 11.020 1.00 0.00 C ATOM 888 CE LYS A 63 0.537 -0.699 11.059 1.00 0.00 C ATOM 889 NZ LYS A 63 0.283 0.289 12.128 1.00 0.00 N ATOM 0 H LYS A 63 -4.273 -4.787 9.935 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.642 -2.239 8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.925 -1.729 11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.770 -2.991 11.477 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.846 -0.811 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.114 -0.384 11.324 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.586 -2.285 11.991 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.247 -2.555 10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.516 -1.153 11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.568 -0.190 10.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.150 0.833 12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.475 0.936 11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.005 -0.205 12.996 1.00 0.00 H new ATOM 903 N VAL A 64 -1.574 -3.324 7.776 1.00 0.00 N ATOM 904 CA VAL A 64 -0.382 -3.987 7.231 1.00 0.00 C ATOM 905 C VAL A 64 0.777 -2.973 7.191 1.00 0.00 C ATOM 906 O VAL A 64 0.551 -1.764 7.284 1.00 0.00 O ATOM 907 CB VAL A 64 -0.645 -4.614 5.834 1.00 0.00 C ATOM 908 CG1 VAL A 64 0.308 -5.784 5.558 1.00 0.00 C ATOM 909 CG2 VAL A 64 -2.063 -5.166 5.694 1.00 0.00 C ATOM 0 H VAL A 64 -1.876 -2.513 7.236 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.113 -4.818 7.883 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.490 -3.801 5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.097 -6.200 4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.338 -5.429 5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.166 -6.555 6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.191 -5.592 4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.228 -5.940 6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.783 -4.361 5.839 1.00 0.00 H new ATOM 919 N THR A 65 2.005 -3.463 7.013 1.00 0.00 N ATOM 920 CA THR A 65 3.262 -2.727 6.908 1.00 0.00 C ATOM 921 C THR A 65 4.026 -3.340 5.722 1.00 0.00 C ATOM 922 O THR A 65 4.190 -4.558 5.711 1.00 0.00 O ATOM 923 CB THR A 65 4.052 -2.907 8.233 1.00 0.00 C ATOM 924 OG1 THR A 65 3.291 -2.636 9.410 1.00 0.00 O ATOM 925 CG2 THR A 65 5.309 -2.041 8.270 1.00 0.00 C ATOM 0 H THR A 65 2.156 -4.468 6.932 1.00 0.00 H new ATOM 0 HA THR A 65 3.110 -1.660 6.747 1.00 0.00 H new ATOM 0 HB THR A 65 4.317 -3.964 8.238 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.853 -2.772 10.201 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.831 -2.198 9.214 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.964 -2.315 7.443 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.030 -0.991 8.180 1.00 0.00 H new ATOM 933 N LEU A 66 4.504 -2.572 4.731 1.00 0.00 N ATOM 934 CA LEU A 66 5.342 -3.106 3.639 1.00 0.00 C ATOM 935 C LEU A 66 6.584 -2.230 3.518 1.00 0.00 C ATOM 936 O LEU A 66 6.501 -1.002 3.485 1.00 0.00 O ATOM 937 CB LEU A 66 4.625 -3.179 2.271 1.00 0.00 C ATOM 938 CG LEU A 66 3.596 -4.299 2.021 1.00 0.00 C ATOM 939 CD1 LEU A 66 4.193 -5.690 2.215 1.00 0.00 C ATOM 940 CD2 LEU A 66 2.329 -4.166 2.866 1.00 0.00 C ATOM 0 H LEU A 66 4.324 -1.570 4.661 1.00 0.00 H new ATOM 0 HA LEU A 66 5.593 -4.135 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.118 -2.227 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.393 -3.261 1.502 1.00 0.00 H new ATOM 0 HG LEU A 66 3.311 -4.178 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.428 -6.444 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.020 -5.831 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.558 -5.790 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.651 -4.988 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.592 -4.196 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.839 -3.219 2.641 1.00 0.00 H new ATOM 952 N SER A 67 7.755 -2.844 3.424 1.00 0.00 N ATOM 953 CA SER A 67 9.032 -2.140 3.357 1.00 0.00 C ATOM 954 C SER A 67 9.887 -2.773 2.266 1.00 0.00 C ATOM 955 O SER A 67 9.480 -3.770 1.661 1.00 0.00 O ATOM 956 CB SER A 67 9.686 -2.204 4.735 1.00 0.00 C ATOM 957 OG SER A 67 10.756 -1.300 4.855 1.00 0.00 O ATOM 0 H SER A 67 7.848 -3.859 3.392 1.00 0.00 H new ATOM 0 HA SER A 67 8.904 -1.089 3.097 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.941 -1.986 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.045 -3.217 4.919 1.00 0.00 H new ATOM 0 HG SER A 67 10.543 -0.475 4.371 1.00 0.00 H new ATOM 963 N THR A 68 11.061 -2.207 2.010 1.00 0.00 N ATOM 964 CA THR A 68 12.076 -2.881 1.220 1.00 0.00 C ATOM 965 C THR A 68 12.986 -3.706 2.125 1.00 0.00 C ATOM 966 O THR A 68 13.196 -3.358 3.288 1.00 0.00 O ATOM 967 CB THR A 68 12.876 -1.862 0.407 1.00 0.00 C ATOM 968 OG1 THR A 68 13.306 -0.742 1.158 1.00 0.00 O ATOM 969 CG2 THR A 68 12.017 -1.328 -0.738 1.00 0.00 C ATOM 0 H THR A 68 11.331 -1.280 2.341 1.00 0.00 H new ATOM 0 HA THR A 68 11.591 -3.562 0.521 1.00 0.00 H new ATOM 0 HB THR A 68 13.758 -2.397 0.054 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.285 -0.728 1.193 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.590 -0.602 -1.315 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.720 -2.153 -1.385 1.00 0.00 H new ATOM 0 HG23 THR A 68 11.127 -0.847 -0.332 1.00 0.00 H new ATOM 977 N THR A 69 13.592 -4.764 1.587 1.00 0.00 N ATOM 978 CA THR A 69 14.593 -5.518 2.338 1.00 0.00 C ATOM 979 C THR A 69 15.944 -4.789 2.404 1.00 0.00 C ATOM 980 O THR A 69 16.817 -5.147 3.204 1.00 0.00 O ATOM 981 CB THR A 69 14.749 -6.934 1.764 1.00 0.00 C ATOM 982 OG1 THR A 69 15.075 -6.883 0.391 1.00 0.00 O ATOM 983 CG2 THR A 69 13.475 -7.765 1.930 1.00 0.00 C ATOM 0 H THR A 69 13.410 -5.114 0.646 1.00 0.00 H new ATOM 0 HA THR A 69 14.234 -5.601 3.364 1.00 0.00 H new ATOM 0 HB THR A 69 15.554 -7.409 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.478 -7.734 0.119 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.631 -8.759 1.510 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.233 -7.853 2.989 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.651 -7.276 1.409 1.00 0.00 H new ATOM 991 N GLY A 70 16.146 -3.753 1.589 1.00 0.00 N ATOM 992 CA GLY A 70 17.386 -3.008 1.512 1.00 0.00 C ATOM 993 C GLY A 70 17.142 -1.601 0.990 1.00 0.00 C ATOM 994 O GLY A 70 16.005 -1.131 0.910 1.00 0.00 O ATOM 0 H GLY A 70 15.429 -3.407 0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 70 17.848 -2.959 2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 70 18.087 -3.527 0.857 1.00 0.00 H new ATOM 998 N LYS A 71 18.227 -0.913 0.647 1.00 0.00 N ATOM 999 CA LYS A 71 18.174 0.362 -0.052 1.00 0.00 C ATOM 1000 C LYS A 71 17.474 0.147 -1.387 1.00 0.00 C ATOM 1001 O LYS A 71 17.772 -0.828 -2.074 1.00 0.00 O ATOM 1002 CB LYS A 71 19.601 0.866 -0.296 1.00 0.00 C ATOM 1003 CG LYS A 71 19.694 2.386 -0.471 1.00 0.00 C ATOM 1004 CD LYS A 71 20.942 2.727 -1.294 1.00 0.00 C ATOM 1005 CE LYS A 71 20.567 2.698 -2.779 1.00 0.00 C ATOM 1006 NZ LYS A 71 21.719 2.394 -3.656 1.00 0.00 N ATOM 0 H LYS A 71 19.175 -1.230 0.849 1.00 0.00 H new ATOM 0 HA LYS A 71 17.632 1.098 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.231 0.566 0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 71 20.001 0.381 -1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.801 2.761 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.742 2.873 0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 71 21.321 3.711 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 71 21.738 2.011 -1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 71 19.789 1.952 -2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.146 3.663 -3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.978 3.244 -4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.527 2.093 -3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.462 1.631 -4.314 1.00 0.00 H new ATOM 1020 N ALA A 72 16.615 1.074 -1.784 1.00 0.00 N ATOM 1021 CA ALA A 72 16.059 1.140 -3.123 1.00 0.00 C ATOM 1022 C ALA A 72 16.116 2.590 -3.590 1.00 0.00 C ATOM 1023 O ALA A 72 16.594 3.466 -2.865 1.00 0.00 O ATOM 1024 CB ALA A 72 14.636 0.576 -3.123 1.00 0.00 C ATOM 0 H ALA A 72 16.279 1.816 -1.170 1.00 0.00 H new ATOM 0 HA ALA A 72 16.635 0.532 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.224 0.628 -4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.656 -0.463 -2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 72 14.013 1.160 -2.446 1.00 0.00 H new ATOM 1030 N ILE A 73 15.686 2.842 -4.827 1.00 0.00 N ATOM 1031 CA ILE A 73 15.729 4.165 -5.437 1.00 0.00 C ATOM 1032 C ILE A 73 14.321 4.684 -5.719 1.00 0.00 C ATOM 1033 O ILE A 73 14.188 5.869 -5.993 1.00 0.00 O ATOM 1034 CB ILE A 73 16.623 4.194 -6.703 1.00 0.00 C ATOM 1035 CG1 ILE A 73 17.737 3.130 -6.748 1.00 0.00 C ATOM 1036 CG2 ILE A 73 17.235 5.592 -6.884 1.00 0.00 C ATOM 1037 CD1 ILE A 73 18.782 3.238 -5.634 1.00 0.00 C ATOM 0 H ILE A 73 15.295 2.124 -5.437 1.00 0.00 H new ATOM 0 HA ILE A 73 16.191 4.842 -4.718 1.00 0.00 H new ATOM 0 HB ILE A 73 15.953 3.947 -7.527 1.00 0.00 H new ATOM 0 HG12 ILE A 73 17.278 2.143 -6.700 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.245 3.198 -7.710 1.00 0.00 H new ATOM 0 HG21 ILE A 73 17.861 5.602 -7.776 1.00 0.00 H new ATOM 0 HG22 ILE A 73 16.437 6.327 -6.992 1.00 0.00 H new ATOM 0 HG23 ILE A 73 17.841 5.840 -6.012 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.522 2.447 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 73 19.276 4.208 -5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 73 18.293 3.136 -4.665 1.00 0.00 H new ATOM 1049 N GLU A 74 13.262 3.870 -5.618 1.00 0.00 N ATOM 1050 CA GLU A 74 11.872 4.317 -5.711 1.00 0.00 C ATOM 1051 C GLU A 74 10.959 3.390 -4.923 1.00 0.00 C ATOM 1052 O GLU A 74 11.276 2.206 -4.792 1.00 0.00 O ATOM 1053 CB GLU A 74 11.367 4.320 -7.160 1.00 0.00 C ATOM 1054 CG GLU A 74 12.037 5.440 -7.939 1.00 0.00 C ATOM 1055 CD GLU A 74 11.377 5.645 -9.288 1.00 0.00 C ATOM 1056 OE1 GLU A 74 11.574 4.783 -10.171 1.00 0.00 O ATOM 1057 OE2 GLU A 74 10.719 6.697 -9.466 1.00 0.00 O ATOM 0 H GLU A 74 13.352 2.865 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 74 11.849 5.330 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.580 3.360 -7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.285 4.450 -7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.989 6.365 -7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.092 5.207 -8.080 1.00 0.00 H new ATOM 1064 N PHE A 75 9.809 3.922 -4.497 1.00 0.00 N ATOM 1065 CA PHE A 75 8.700 3.176 -3.901 1.00 0.00 C ATOM 1066 C PHE A 75 7.369 3.754 -4.394 1.00 0.00 C ATOM 1067 O PHE A 75 7.026 4.871 -4.014 1.00 0.00 O ATOM 1068 CB PHE A 75 8.789 3.220 -2.364 1.00 0.00 C ATOM 1069 CG PHE A 75 8.049 2.087 -1.689 1.00 0.00 C ATOM 1070 CD1 PHE A 75 8.684 0.839 -1.582 1.00 0.00 C ATOM 1071 CD2 PHE A 75 6.745 2.251 -1.183 1.00 0.00 C ATOM 1072 CE1 PHE A 75 8.014 -0.250 -1.011 1.00 0.00 C ATOM 1073 CE2 PHE A 75 6.060 1.147 -0.651 1.00 0.00 C ATOM 1074 CZ PHE A 75 6.689 -0.106 -0.564 1.00 0.00 C ATOM 0 H PHE A 75 9.619 4.922 -4.561 1.00 0.00 H new ATOM 0 HA PHE A 75 8.760 2.132 -4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.837 3.188 -2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.386 4.169 -2.011 1.00 0.00 H new ATOM 0 HD1 PHE A 75 9.695 0.718 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.274 3.222 -1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.516 -1.201 -0.914 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.043 1.262 -0.306 1.00 0.00 H new ATOM 0 HZ PHE A 75 6.158 -0.953 -0.156 1.00 0.00 H new ATOM 1084 N ALA A 76 6.635 3.066 -5.273 1.00 0.00 N ATOM 1085 CA ALA A 76 5.318 3.533 -5.711 1.00 0.00 C ATOM 1086 C ALA A 76 4.232 3.046 -4.751 1.00 0.00 C ATOM 1087 O ALA A 76 4.399 1.995 -4.139 1.00 0.00 O ATOM 1088 CB ALA A 76 5.042 3.043 -7.127 1.00 0.00 C ATOM 0 H ALA A 76 6.930 2.185 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 76 5.309 4.623 -5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.061 3.393 -7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.805 3.432 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.062 1.953 -7.145 1.00 0.00 H new ATOM 1094 N VAL A 77 3.103 3.750 -4.649 1.00 0.00 N ATOM 1095 CA VAL A 77 1.940 3.332 -3.872 1.00 0.00 C ATOM 1096 C VAL A 77 0.678 3.832 -4.594 1.00 0.00 C ATOM 1097 O VAL A 77 0.254 4.974 -4.395 1.00 0.00 O ATOM 1098 CB VAL A 77 2.023 3.858 -2.415 1.00 0.00 C ATOM 1099 CG1 VAL A 77 0.880 3.243 -1.597 1.00 0.00 C ATOM 1100 CG2 VAL A 77 3.348 3.578 -1.687 1.00 0.00 C ATOM 0 H VAL A 77 2.971 4.647 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 77 1.906 2.245 -3.800 1.00 0.00 H new ATOM 0 HB VAL A 77 1.949 4.943 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.930 3.607 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.076 3.527 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.973 2.157 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.302 3.986 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.515 2.502 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.168 4.047 -2.231 1.00 0.00 H new ATOM 1110 N SER A 78 0.050 2.986 -5.414 1.00 0.00 N ATOM 1111 CA SER A 78 -1.223 3.307 -6.070 1.00 0.00 C ATOM 1112 C SER A 78 -2.203 2.148 -5.873 1.00 0.00 C ATOM 1113 O SER A 78 -1.757 1.034 -5.593 1.00 0.00 O ATOM 1114 CB SER A 78 -0.995 3.581 -7.564 1.00 0.00 C ATOM 1115 OG SER A 78 0.102 4.460 -7.787 1.00 0.00 O ATOM 0 H SER A 78 0.408 2.059 -5.643 1.00 0.00 H new ATOM 0 HA SER A 78 -1.646 4.206 -5.622 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.815 2.639 -8.081 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.898 4.013 -7.995 1.00 0.00 H new ATOM 0 HG SER A 78 -0.134 5.108 -8.483 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.514 2.370 -6.018 1.00 0.00 N ATOM 1122 CA GLY A 79 -4.523 1.327 -5.850 1.00 0.00 C ATOM 1123 C GLY A 79 -5.793 1.822 -5.166 1.00 0.00 C ATOM 1124 O GLY A 79 -5.882 2.990 -4.795 1.00 0.00 O ATOM 0 H GLY A 79 -3.903 3.282 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.780 0.919 -6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.098 0.511 -5.266 1.00 0.00 H new ATOM 1128 N GLY A 80 -6.767 0.934 -4.963 1.00 0.00 N ATOM 1129 CA GLY A 80 -8.110 1.287 -4.527 1.00 0.00 C ATOM 1130 C GLY A 80 -8.971 0.046 -4.326 1.00 0.00 C ATOM 1131 O GLY A 80 -8.449 -1.056 -4.116 1.00 0.00 O ATOM 0 H GLY A 80 -6.638 -0.068 -5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.056 1.850 -3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.575 1.939 -5.266 1.00 0.00 H new ATOM 1135 N VAL A 81 -10.289 0.251 -4.329 1.00 0.00 N ATOM 1136 CA VAL A 81 -11.310 -0.751 -4.080 1.00 0.00 C ATOM 1137 C VAL A 81 -12.486 -0.587 -5.056 1.00 0.00 C ATOM 1138 O VAL A 81 -13.179 0.435 -5.055 1.00 0.00 O ATOM 1139 CB VAL A 81 -11.790 -0.689 -2.613 1.00 0.00 C ATOM 1140 CG1 VAL A 81 -10.941 -1.563 -1.681 1.00 0.00 C ATOM 1141 CG2 VAL A 81 -11.893 0.709 -1.984 1.00 0.00 C ATOM 0 H VAL A 81 -10.687 1.171 -4.516 1.00 0.00 H new ATOM 0 HA VAL A 81 -10.872 -1.735 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 81 -12.807 -1.072 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.320 -1.484 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.994 -2.601 -2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.905 -1.226 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -12.240 0.620 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.913 1.187 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.599 1.313 -2.554 1.00 0.00 H new ATOM 1151 N VAL A 82 -12.760 -1.607 -5.872 1.00 0.00 N ATOM 1152 CA VAL A 82 -14.027 -1.734 -6.602 1.00 0.00 C ATOM 1153 C VAL A 82 -15.158 -2.150 -5.669 1.00 0.00 C ATOM 1154 O VAL A 82 -14.933 -2.569 -4.526 1.00 0.00 O ATOM 1155 CB VAL A 82 -13.907 -2.745 -7.780 1.00 0.00 C ATOM 1156 CG1 VAL A 82 -12.673 -2.539 -8.670 1.00 0.00 C ATOM 1157 CG2 VAL A 82 -13.905 -4.203 -7.293 1.00 0.00 C ATOM 0 H VAL A 82 -12.108 -2.372 -6.047 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.260 -0.753 -7.016 1.00 0.00 H new ATOM 0 HB VAL A 82 -14.794 -2.544 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.669 -3.286 -9.464 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.704 -1.542 -9.109 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -11.770 -2.643 -8.069 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.820 -4.872 -8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.060 -4.362 -6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -14.834 -4.410 -6.762 1.00 0.00 H new ATOM 1167 N ASP A 83 -16.373 -2.104 -6.206 1.00 0.00 N ATOM 1168 CA ASP A 83 -17.513 -2.834 -5.709 1.00 0.00 C ATOM 1169 C ASP A 83 -18.406 -3.221 -6.879 1.00 0.00 C ATOM 1170 O ASP A 83 -19.020 -2.359 -7.504 1.00 0.00 O ATOM 1171 CB ASP A 83 -18.287 -1.985 -4.714 1.00 0.00 C ATOM 1172 CG ASP A 83 -19.397 -2.822 -4.065 1.00 0.00 C ATOM 1173 OD1 ASP A 83 -19.374 -4.074 -4.189 1.00 0.00 O ATOM 1174 OD2 ASP A 83 -20.242 -2.246 -3.357 1.00 0.00 O ATOM 0 H ASP A 83 -16.589 -1.536 -7.026 1.00 0.00 H new ATOM 0 HA ASP A 83 -17.173 -3.735 -5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.613 -1.602 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -18.719 -1.121 -5.219 1.00 0.00 H new ATOM 1179 N GLY A 84 -18.452 -4.507 -7.211 1.00 0.00 N ATOM 1180 CA GLY A 84 -19.361 -5.016 -8.225 1.00 0.00 C ATOM 1181 C GLY A 84 -20.773 -5.273 -7.691 1.00 0.00 C ATOM 1182 O GLY A 84 -21.587 -5.824 -8.435 1.00 0.00 O ATOM 0 H GLY A 84 -17.861 -5.221 -6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.414 -4.303 -9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.959 -5.943 -8.633 1.00 0.00 H new ATOM 1186 N GLU A 85 -21.073 -4.978 -6.422 1.00 0.00 N ATOM 1187 CA GLU A 85 -22.433 -5.042 -5.910 1.00 0.00 C ATOM 1188 C GLU A 85 -23.107 -3.692 -6.113 1.00 0.00 C ATOM 1189 O GLU A 85 -22.504 -2.647 -5.886 1.00 0.00 O ATOM 1190 CB GLU A 85 -22.468 -5.378 -4.416 1.00 0.00 C ATOM 1191 CG GLU A 85 -22.095 -6.828 -4.086 1.00 0.00 C ATOM 1192 CD GLU A 85 -23.222 -7.840 -4.328 1.00 0.00 C ATOM 1193 OE1 GLU A 85 -24.001 -7.697 -5.294 1.00 0.00 O ATOM 1194 OE2 GLU A 85 -23.321 -8.800 -3.528 1.00 0.00 O ATOM 0 H GLU A 85 -20.381 -4.691 -5.730 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.953 -5.831 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -21.785 -4.711 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.469 -5.177 -4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -21.231 -7.114 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -21.791 -6.884 -3.041 1.00 0.00 H new ATOM 1201 N ASP A 86 -24.387 -3.728 -6.479 1.00 0.00 N ATOM 1202 CA ASP A 86 -25.236 -2.546 -6.643 1.00 0.00 C ATOM 1203 C ASP A 86 -26.689 -2.827 -6.216 1.00 0.00 C ATOM 1204 O ASP A 86 -27.557 -1.959 -6.315 1.00 0.00 O ATOM 1205 CB ASP A 86 -25.153 -2.092 -8.104 1.00 0.00 C ATOM 1206 CG ASP A 86 -25.776 -0.717 -8.319 1.00 0.00 C ATOM 1207 OD1 ASP A 86 -25.419 0.251 -7.613 1.00 0.00 O ATOM 1208 OD2 ASP A 86 -26.625 -0.589 -9.239 1.00 0.00 O ATOM 0 H ASP A 86 -24.876 -4.601 -6.675 1.00 0.00 H new ATOM 0 HA ASP A 86 -24.879 -1.747 -5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -24.109 -2.068 -8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -25.658 -2.821 -8.738 1.00 0.00 H new ATOM 1213 N GLY A 87 -26.954 -4.050 -5.735 1.00 0.00 N ATOM 1214 CA GLY A 87 -28.260 -4.563 -5.325 1.00 0.00 C ATOM 1215 C GLY A 87 -28.232 -5.170 -3.919 1.00 0.00 C ATOM 1216 O GLY A 87 -28.989 -6.100 -3.625 1.00 0.00 O ATOM 0 H GLY A 87 -26.216 -4.745 -5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -28.991 -3.755 -5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -28.591 -5.318 -6.038 1.00 0.00 H new ATOM 1220 N VAL A 88 -27.344 -4.691 -3.053 1.00 0.00 N ATOM 1221 CA VAL A 88 -27.285 -5.022 -1.635 1.00 0.00 C ATOM 1222 C VAL A 88 -26.846 -3.762 -0.894 1.00 0.00 C ATOM 1223 O VAL A 88 -25.900 -3.092 -1.319 1.00 0.00 O ATOM 1224 CB VAL A 88 -26.382 -6.247 -1.393 1.00 0.00 C ATOM 1225 CG1 VAL A 88 -25.070 -6.193 -2.167 1.00 0.00 C ATOM 1226 CG2 VAL A 88 -26.064 -6.456 0.092 1.00 0.00 C ATOM 0 H VAL A 88 -26.616 -4.034 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 88 -28.259 -5.323 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 88 -26.967 -7.089 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -24.483 -7.086 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -25.280 -6.147 -3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -24.508 -5.308 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -25.425 -7.332 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -25.549 -5.577 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -26.991 -6.608 0.645 1.00 0.00 H new ATOM 1236 N VAL A 89 -27.562 -3.398 0.169 1.00 0.00 N ATOM 1237 CA VAL A 89 -27.175 -2.280 1.012 1.00 0.00 C ATOM 1238 C VAL A 89 -25.911 -2.657 1.799 1.00 0.00 C ATOM 1239 O VAL A 89 -25.741 -3.810 2.216 1.00 0.00 O ATOM 1240 CB VAL A 89 -28.374 -1.872 1.891 1.00 0.00 C ATOM 1241 CG1 VAL A 89 -28.767 -2.910 2.956 1.00 0.00 C ATOM 1242 CG2 VAL A 89 -28.132 -0.516 2.561 1.00 0.00 C ATOM 0 H VAL A 89 -28.418 -3.868 0.464 1.00 0.00 H new ATOM 0 HA VAL A 89 -26.916 -1.400 0.423 1.00 0.00 H new ATOM 0 HB VAL A 89 -29.214 -1.805 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -29.619 -2.541 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -29.036 -3.847 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -27.925 -3.079 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -28.994 -0.254 3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -27.244 -0.574 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -27.986 0.247 1.796 1.00 0.00 H new ATOM 1252 N ASN A 90 -25.040 -1.674 2.038 1.00 0.00 N ATOM 1253 CA ASN A 90 -23.804 -1.832 2.797 1.00 0.00 C ATOM 1254 C ASN A 90 -23.549 -0.554 3.614 1.00 0.00 C ATOM 1255 O ASN A 90 -24.462 0.263 3.781 1.00 0.00 O ATOM 1256 CB ASN A 90 -22.654 -2.197 1.833 1.00 0.00 C ATOM 1257 CG ASN A 90 -21.666 -3.139 2.509 1.00 0.00 C ATOM 1258 OD1 ASN A 90 -21.197 -2.872 3.607 1.00 0.00 O ATOM 1259 ND2 ASN A 90 -21.387 -4.289 1.928 1.00 0.00 N ATOM 0 H ASN A 90 -25.181 -0.723 1.699 1.00 0.00 H new ATOM 0 HA ASN A 90 -23.878 -2.651 3.512 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -23.059 -2.668 0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -22.140 -1.291 1.512 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -20.778 -4.961 2.394 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -21.781 -4.507 1.013 1.00 0.00 H new ATOM 1266 N GLU A 91 -22.342 -0.370 4.146 1.00 0.00 N ATOM 1267 CA GLU A 91 -21.850 0.862 4.747 1.00 0.00 C ATOM 1268 C GLU A 91 -20.537 1.276 4.072 1.00 0.00 C ATOM 1269 O GLU A 91 -19.926 0.465 3.375 1.00 0.00 O ATOM 1270 CB GLU A 91 -21.663 0.678 6.267 1.00 0.00 C ATOM 1271 CG GLU A 91 -22.955 0.995 7.035 1.00 0.00 C ATOM 1272 CD GLU A 91 -22.723 1.750 8.354 1.00 0.00 C ATOM 1273 OE1 GLU A 91 -21.728 1.485 9.068 1.00 0.00 O ATOM 1274 OE2 GLU A 91 -23.608 2.564 8.705 1.00 0.00 O ATOM 0 H GLU A 91 -21.647 -1.117 4.169 1.00 0.00 H new ATOM 0 HA GLU A 91 -22.581 1.656 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -21.357 -0.347 6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -20.861 1.328 6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -23.609 1.589 6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -23.478 0.063 7.248 1.00 0.00 H new ATOM 1281 N PRO A 92 -20.101 2.537 4.249 1.00 0.00 N ATOM 1282 CA PRO A 92 -18.865 3.032 3.662 1.00 0.00 C ATOM 1283 C PRO A 92 -17.631 2.663 4.487 1.00 0.00 C ATOM 1284 O PRO A 92 -17.737 2.123 5.591 1.00 0.00 O ATOM 1285 CB PRO A 92 -19.072 4.548 3.607 1.00 0.00 C ATOM 1286 CG PRO A 92 -19.879 4.829 4.871 1.00 0.00 C ATOM 1287 CD PRO A 92 -20.808 3.619 4.929 1.00 0.00 C ATOM 0 HA PRO A 92 -18.673 2.591 2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.124 5.085 3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -19.611 4.850 2.709 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -19.244 4.898 5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -20.432 5.766 4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -21.034 3.350 5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -21.758 3.833 4.440 1.00 0.00 H new ATOM 1295 N MET A 93 -16.446 2.991 3.966 1.00 0.00 N ATOM 1296 CA MET A 93 -15.177 2.571 4.528 1.00 0.00 C ATOM 1297 C MET A 93 -14.188 3.727 4.520 1.00 0.00 C ATOM 1298 O MET A 93 -14.457 4.779 3.940 1.00 0.00 O ATOM 1299 CB MET A 93 -14.674 1.335 3.773 1.00 0.00 C ATOM 1300 CG MET A 93 -13.871 1.571 2.489 1.00 0.00 C ATOM 1301 SD MET A 93 -12.761 0.191 2.096 1.00 0.00 S ATOM 1302 CE MET A 93 -11.529 0.477 3.388 1.00 0.00 C ATOM 0 H MET A 93 -16.349 3.565 3.129 1.00 0.00 H new ATOM 0 HA MET A 93 -15.299 2.284 5.572 1.00 0.00 H new ATOM 0 HB2 MET A 93 -14.055 0.753 4.455 1.00 0.00 H new ATOM 0 HB3 MET A 93 -15.538 0.719 3.522 1.00 0.00 H new ATOM 0 HG2 MET A 93 -14.559 1.727 1.658 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.286 2.485 2.594 1.00 0.00 H new ATOM 0 HE1 MET A 93 -10.794 -0.328 3.375 1.00 0.00 H new ATOM 0 HE2 MET A 93 -11.028 1.428 3.209 1.00 0.00 H new ATOM 0 HE3 MET A 93 -12.021 0.503 4.360 1.00 0.00 H new ATOM 1312 N GLN A 94 -13.020 3.526 5.126 1.00 0.00 N ATOM 1313 CA GLN A 94 -11.886 4.434 5.050 1.00 0.00 C ATOM 1314 C GLN A 94 -10.611 3.614 4.897 1.00 0.00 C ATOM 1315 O GLN A 94 -10.495 2.499 5.414 1.00 0.00 O ATOM 1316 CB GLN A 94 -11.835 5.334 6.297 1.00 0.00 C ATOM 1317 CG GLN A 94 -12.863 6.471 6.238 1.00 0.00 C ATOM 1318 CD GLN A 94 -12.972 7.241 7.550 1.00 0.00 C ATOM 1319 OE1 GLN A 94 -13.007 6.657 8.631 1.00 0.00 O ATOM 1320 NE2 GLN A 94 -13.108 8.556 7.508 1.00 0.00 N ATOM 0 H GLN A 94 -12.835 2.703 5.699 1.00 0.00 H new ATOM 0 HA GLN A 94 -11.989 5.089 4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -12.016 4.730 7.186 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.835 5.756 6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -12.589 7.161 5.440 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -13.839 6.059 5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -13.079 9.043 6.612 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -13.241 9.083 8.371 1.00 0.00 H new ATOM 1329 N TRP A 95 -9.649 4.186 4.182 1.00 0.00 N ATOM 1330 CA TRP A 95 -8.287 3.693 4.050 1.00 0.00 C ATOM 1331 C TRP A 95 -7.419 4.779 4.642 1.00 0.00 C ATOM 1332 O TRP A 95 -7.590 5.950 4.305 1.00 0.00 O ATOM 1333 CB TRP A 95 -7.897 3.498 2.576 1.00 0.00 C ATOM 1334 CG TRP A 95 -7.928 2.115 2.001 1.00 0.00 C ATOM 1335 CD1 TRP A 95 -8.418 0.998 2.585 1.00 0.00 C ATOM 1336 CD2 TRP A 95 -7.365 1.678 0.728 1.00 0.00 C ATOM 1337 NE1 TRP A 95 -8.277 -0.079 1.731 1.00 0.00 N ATOM 1338 CE2 TRP A 95 -7.579 0.274 0.595 1.00 0.00 C ATOM 1339 CE3 TRP A 95 -6.700 2.341 -0.331 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 -7.129 -0.443 -0.523 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 -6.247 1.626 -1.456 1.00 0.00 C ATOM 1342 CH2 TRP A 95 -6.454 0.238 -1.550 1.00 0.00 C ATOM 0 H TRP A 95 -9.807 5.045 3.655 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.175 2.728 4.544 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -8.558 4.121 1.974 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -6.887 3.887 2.447 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -8.855 0.954 3.572 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.642 -1.013 1.917 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.538 3.407 -0.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.299 -1.507 -0.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -5.737 2.147 -2.253 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.094 -0.304 -2.412 1.00 0.00 H new ATOM 1353 N VAL A 96 -6.479 4.397 5.489 1.00 0.00 N ATOM 1354 CA VAL A 96 -5.601 5.307 6.193 1.00 0.00 C ATOM 1355 C VAL A 96 -4.202 4.770 5.904 1.00 0.00 C ATOM 1356 O VAL A 96 -3.908 3.624 6.233 1.00 0.00 O ATOM 1357 CB VAL A 96 -6.032 5.351 7.677 1.00 0.00 C ATOM 1358 CG1 VAL A 96 -5.173 6.327 8.473 1.00 0.00 C ATOM 1359 CG2 VAL A 96 -7.508 5.742 7.849 1.00 0.00 C ATOM 0 H VAL A 96 -6.303 3.417 5.710 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.635 6.351 5.881 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.894 4.339 8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.500 6.336 9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.129 6.017 8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.274 7.327 8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.759 5.758 8.910 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.675 6.731 7.422 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.139 5.015 7.338 1.00 0.00 H new ATOM 1369 N VAL A 97 -3.391 5.496 5.135 1.00 0.00 N ATOM 1370 CA VAL A 97 -2.228 4.918 4.471 1.00 0.00 C ATOM 1371 C VAL A 97 -1.085 5.904 4.718 1.00 0.00 C ATOM 1372 O VAL A 97 -1.176 7.084 4.368 1.00 0.00 O ATOM 1373 CB VAL A 97 -2.530 4.689 2.963 1.00 0.00 C ATOM 1374 CG1 VAL A 97 -1.672 3.547 2.403 1.00 0.00 C ATOM 1375 CG2 VAL A 97 -4.005 4.438 2.590 1.00 0.00 C ATOM 0 H VAL A 97 -3.521 6.492 4.957 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.959 3.936 4.859 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.274 5.645 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.900 3.405 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.617 3.796 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.889 2.628 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.088 4.293 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.364 3.547 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.607 5.297 2.888 1.00 0.00 H new ATOM 1385 N THR A 98 -0.009 5.448 5.349 1.00 0.00 N ATOM 1386 CA THR A 98 1.096 6.297 5.785 1.00 0.00 C ATOM 1387 C THR A 98 2.323 5.971 4.928 1.00 0.00 C ATOM 1388 O THR A 98 2.394 4.886 4.341 1.00 0.00 O ATOM 1389 CB THR A 98 1.330 6.060 7.292 1.00 0.00 C ATOM 1390 OG1 THR A 98 0.103 6.016 7.992 1.00 0.00 O ATOM 1391 CG2 THR A 98 2.158 7.137 7.989 1.00 0.00 C ATOM 0 H THR A 98 0.123 4.462 5.576 1.00 0.00 H new ATOM 0 HA THR A 98 0.877 7.357 5.653 1.00 0.00 H new ATOM 0 HB THR A 98 1.874 5.116 7.320 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.275 5.863 8.945 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.269 6.885 9.044 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.142 7.197 7.524 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.654 8.099 7.897 1.00 0.00 H new ATOM 1399 N VAL A 99 3.305 6.867 4.854 1.00 0.00 N ATOM 1400 CA VAL A 99 4.655 6.545 4.398 1.00 0.00 C ATOM 1401 C VAL A 99 5.607 7.003 5.495 1.00 0.00 C ATOM 1402 O VAL A 99 5.525 8.137 5.980 1.00 0.00 O ATOM 1403 CB VAL A 99 4.984 7.145 3.011 1.00 0.00 C ATOM 1404 CG1 VAL A 99 6.435 6.858 2.598 1.00 0.00 C ATOM 1405 CG2 VAL A 99 4.041 6.594 1.932 1.00 0.00 C ATOM 0 H VAL A 99 3.184 7.847 5.112 1.00 0.00 H new ATOM 0 HA VAL A 99 4.757 5.472 4.238 1.00 0.00 H new ATOM 0 HB VAL A 99 4.848 8.223 3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 99 6.628 7.295 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.115 7.294 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.594 5.781 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.296 7.033 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.146 5.510 1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.011 6.847 2.185 1.00 0.00 H new ATOM 1415 N TYR A 100 6.490 6.095 5.892 1.00 0.00 N ATOM 1416 CA TYR A 100 7.691 6.356 6.654 1.00 0.00 C ATOM 1417 C TYR A 100 8.796 6.434 5.618 1.00 0.00 C ATOM 1418 O TYR A 100 8.818 5.621 4.695 1.00 0.00 O ATOM 1419 CB TYR A 100 7.919 5.236 7.687 1.00 0.00 C ATOM 1420 CG TYR A 100 6.814 5.175 8.729 1.00 0.00 C ATOM 1421 CD1 TYR A 100 5.524 4.721 8.386 1.00 0.00 C ATOM 1422 CD2 TYR A 100 7.047 5.673 10.023 1.00 0.00 C ATOM 1423 CE1 TYR A 100 4.444 4.925 9.256 1.00 0.00 C ATOM 1424 CE2 TYR A 100 5.973 5.891 10.898 1.00 0.00 C ATOM 1425 CZ TYR A 100 4.659 5.585 10.481 1.00 0.00 C ATOM 1426 OH TYR A 100 3.594 5.954 11.231 1.00 0.00 O ATOM 0 H TYR A 100 6.375 5.105 5.676 1.00 0.00 H new ATOM 0 HA TYR A 100 7.641 7.277 7.235 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.982 4.278 7.172 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.876 5.394 8.185 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.367 4.212 7.446 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.056 5.888 10.344 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.456 4.579 8.989 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.150 6.291 11.886 1.00 0.00 H new ATOM 0 HH TYR A 100 3.907 6.397 12.047 1.00 0.00 H new ATOM 1436 N LYS A 101 9.679 7.422 5.706 1.00 0.00 N ATOM 1437 CA LYS A 101 10.863 7.526 4.886 1.00 0.00 C ATOM 1438 C LYS A 101 11.996 6.830 5.641 1.00 0.00 C ATOM 1439 O LYS A 101 11.765 6.235 6.689 1.00 0.00 O ATOM 1440 CB LYS A 101 11.065 9.031 4.646 1.00 0.00 C ATOM 1441 CG LYS A 101 11.825 9.378 3.372 1.00 0.00 C ATOM 1442 CD LYS A 101 11.200 8.807 2.085 1.00 0.00 C ATOM 1443 CE LYS A 101 11.807 9.425 0.820 1.00 0.00 C ATOM 1444 NZ LYS A 101 11.187 10.713 0.429 1.00 0.00 N ATOM 0 H LYS A 101 9.581 8.190 6.370 1.00 0.00 H new ATOM 0 HA LYS A 101 10.807 7.040 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.088 9.514 4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.600 9.452 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.885 10.463 3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.847 9.009 3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.342 7.727 2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.125 8.987 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.874 9.579 0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.705 8.718 -0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.562 11.013 -0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.156 10.596 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.408 11.436 1.144 1.00 0.00 H new ATOM 1458 N ASN A 102 13.219 6.925 5.126 1.00 0.00 N ATOM 1459 CA ASN A 102 14.476 6.566 5.774 1.00 0.00 C ATOM 1460 C ASN A 102 14.649 7.395 7.059 1.00 0.00 C ATOM 1461 O ASN A 102 15.440 8.346 7.104 1.00 0.00 O ATOM 1462 CB ASN A 102 15.695 6.715 4.837 1.00 0.00 C ATOM 1463 CG ASN A 102 15.708 7.943 3.933 1.00 0.00 C ATOM 1464 OD1 ASN A 102 16.348 8.948 4.225 1.00 0.00 O ATOM 1465 ND2 ASN A 102 15.042 7.874 2.784 1.00 0.00 N ATOM 0 H ASN A 102 13.367 7.279 4.181 1.00 0.00 H new ATOM 0 HA ASN A 102 14.428 5.508 6.033 1.00 0.00 H new ATOM 0 HB2 ASN A 102 16.597 6.732 5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 102 15.753 5.827 4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.060 8.661 2.136 1.00 0.00 H new ATOM 0 HD22 ASN A 102 14.513 7.034 2.551 1.00 0.00 H new ATOM 1472 N GLY A 103 13.899 7.059 8.103 1.00 0.00 N ATOM 1473 CA GLY A 103 13.921 7.670 9.421 1.00 0.00 C ATOM 1474 C GLY A 103 12.614 7.441 10.168 1.00 0.00 C ATOM 1475 O GLY A 103 12.578 6.684 11.143 1.00 0.00 O ATOM 0 H GLY A 103 13.216 6.303 8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.748 7.258 9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.102 8.740 9.323 1.00 0.00 H new ATOM 1479 N LYS A 104 11.546 8.126 9.743 1.00 0.00 N ATOM 1480 CA LYS A 104 10.257 8.189 10.427 1.00 0.00 C ATOM 1481 C LYS A 104 9.130 8.512 9.445 1.00 0.00 C ATOM 1482 O LYS A 104 9.387 8.656 8.247 1.00 0.00 O ATOM 1483 CB LYS A 104 10.354 9.184 11.581 1.00 0.00 C ATOM 1484 CG LYS A 104 10.352 10.645 11.113 1.00 0.00 C ATOM 1485 CD LYS A 104 9.187 11.398 11.755 1.00 0.00 C ATOM 1486 CE LYS A 104 9.460 11.594 13.245 1.00 0.00 C ATOM 1487 NZ LYS A 104 8.228 11.711 14.045 1.00 0.00 N ATOM 0 H LYS A 104 11.560 8.671 8.881 1.00 0.00 H new ATOM 0 HA LYS A 104 10.009 7.215 10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.518 9.025 12.262 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.266 8.990 12.145 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.295 11.122 11.379 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.269 10.688 10.027 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.054 12.365 11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.260 10.841 11.615 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.048 10.754 13.615 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.063 12.491 13.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.476 11.842 15.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.676 12.528 13.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.662 10.845 13.939 1.00 0.00 H new ATOM 1501 N GLU A 105 7.906 8.655 9.962 1.00 0.00 N ATOM 1502 CA GLU A 105 6.724 9.095 9.229 1.00 0.00 C ATOM 1503 C GLU A 105 7.038 10.374 8.460 1.00 0.00 C ATOM 1504 O GLU A 105 7.737 11.251 8.974 1.00 0.00 O ATOM 1505 CB GLU A 105 5.580 9.369 10.218 1.00 0.00 C ATOM 1506 CG GLU A 105 4.233 9.635 9.523 1.00 0.00 C ATOM 1507 CD GLU A 105 3.616 10.989 9.889 1.00 0.00 C ATOM 1508 OE1 GLU A 105 4.255 12.055 9.691 1.00 0.00 O ATOM 1509 OE2 GLU A 105 2.461 10.978 10.372 1.00 0.00 O ATOM 0 H GLU A 105 7.708 8.458 10.943 1.00 0.00 H new ATOM 0 HA GLU A 105 6.427 8.314 8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.474 8.516 10.888 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.840 10.229 10.836 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.374 9.589 8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.533 8.842 9.787 1.00 0.00 H new ATOM 1516 N ILE A 106 6.467 10.525 7.269 1.00 0.00 N ATOM 1517 CA ILE A 106 6.468 11.773 6.521 1.00 0.00 C ATOM 1518 C ILE A 106 5.077 12.103 5.972 1.00 0.00 C ATOM 1519 O ILE A 106 4.758 13.282 5.801 1.00 0.00 O ATOM 1520 CB ILE A 106 7.516 11.707 5.392 1.00 0.00 C ATOM 1521 CG1 ILE A 106 7.341 10.451 4.506 1.00 0.00 C ATOM 1522 CG2 ILE A 106 8.938 11.777 5.988 1.00 0.00 C ATOM 1523 CD1 ILE A 106 7.926 10.630 3.110 1.00 0.00 C ATOM 0 H ILE A 106 5.982 9.767 6.789 1.00 0.00 H new ATOM 0 HA ILE A 106 6.738 12.581 7.201 1.00 0.00 H new ATOM 0 HB ILE A 106 7.363 12.569 4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 106 7.820 9.600 4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 106 6.280 10.215 4.423 1.00 0.00 H new ATOM 0 HG21 ILE A 106 9.672 11.730 5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.058 12.713 6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 106 9.089 10.938 6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.775 9.718 2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 106 7.429 11.462 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 106 8.993 10.838 3.187 1.00 0.00 H new ATOM 1535 N GLU A 107 4.217 11.116 5.710 1.00 0.00 N ATOM 1536 CA GLU A 107 3.053 11.322 4.852 1.00 0.00 C ATOM 1537 C GLU A 107 1.880 10.443 5.279 1.00 0.00 C ATOM 1538 O GLU A 107 2.098 9.383 5.862 1.00 0.00 O ATOM 1539 CB GLU A 107 3.506 11.071 3.404 1.00 0.00 C ATOM 1540 CG GLU A 107 2.401 10.993 2.347 1.00 0.00 C ATOM 1541 CD GLU A 107 1.622 12.292 2.144 1.00 0.00 C ATOM 1542 OE1 GLU A 107 1.450 13.072 3.114 1.00 0.00 O ATOM 1543 OE2 GLU A 107 1.159 12.536 1.010 1.00 0.00 O ATOM 0 H GLU A 107 4.306 10.170 6.080 1.00 0.00 H new ATOM 0 HA GLU A 107 2.678 12.342 4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.195 11.866 3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.068 10.138 3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.846 10.699 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.702 10.206 2.629 1.00 0.00 H new ATOM 1550 N LYS A 108 0.655 10.916 5.013 1.00 0.00 N ATOM 1551 CA LYS A 108 -0.589 10.511 5.672 1.00 0.00 C ATOM 1552 C LYS A 108 -1.784 10.680 4.716 1.00 0.00 C ATOM 1553 O LYS A 108 -2.621 11.570 4.884 1.00 0.00 O ATOM 1554 CB LYS A 108 -0.742 11.332 6.976 1.00 0.00 C ATOM 1555 CG LYS A 108 -0.530 12.850 6.787 1.00 0.00 C ATOM 1556 CD LYS A 108 -0.799 13.658 8.056 1.00 0.00 C ATOM 1557 CE LYS A 108 -0.899 15.132 7.648 1.00 0.00 C ATOM 1558 NZ LYS A 108 -0.962 16.038 8.807 1.00 0.00 N ATOM 0 H LYS A 108 0.500 11.626 4.297 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.559 9.454 5.936 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -1.738 11.162 7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.027 10.964 7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.494 13.029 6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.185 13.206 5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.722 13.328 8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.003 13.514 8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.038 15.394 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.786 15.275 7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.029 17.022 8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.798 15.809 9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.104 15.924 9.383 1.00 0.00 H new ATOM 1572 N LYS A 109 -1.860 9.870 3.662 1.00 0.00 N ATOM 1573 CA LYS A 109 -2.976 9.881 2.716 1.00 0.00 C ATOM 1574 C LYS A 109 -4.081 8.983 3.237 1.00 0.00 C ATOM 1575 O LYS A 109 -3.889 7.776 3.362 1.00 0.00 O ATOM 1576 CB LYS A 109 -2.513 9.407 1.333 1.00 0.00 C ATOM 1577 CG LYS A 109 -1.987 10.596 0.511 1.00 0.00 C ATOM 1578 CD LYS A 109 -3.074 11.154 -0.423 1.00 0.00 C ATOM 1579 CE LYS A 109 -3.157 10.335 -1.718 1.00 0.00 C ATOM 1580 NZ LYS A 109 -3.921 11.032 -2.774 1.00 0.00 N ATOM 0 H LYS A 109 -1.142 9.181 3.438 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.352 10.899 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.730 8.656 1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.341 8.931 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.644 11.382 1.183 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.125 10.281 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -4.038 11.138 0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -2.856 12.195 -0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.150 10.127 -2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.626 9.374 -1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.950 10.441 -3.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.891 11.208 -2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.461 11.938 -2.995 1.00 0.00 H new ATOM 1594 N SER A 110 -5.249 9.554 3.487 1.00 0.00 N ATOM 1595 CA SER A 110 -6.423 8.865 3.954 1.00 0.00 C ATOM 1596 C SER A 110 -7.619 9.204 3.065 1.00 0.00 C ATOM 1597 O SER A 110 -7.747 10.341 2.610 1.00 0.00 O ATOM 1598 CB SER A 110 -6.625 9.231 5.436 1.00 0.00 C ATOM 1599 OG SER A 110 -5.760 10.256 5.930 1.00 0.00 O ATOM 0 H SER A 110 -5.402 10.555 3.362 1.00 0.00 H new ATOM 0 HA SER A 110 -6.310 7.783 3.889 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.658 9.549 5.578 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.482 8.334 6.039 1.00 0.00 H new ATOM 0 HG SER A 110 -5.959 10.424 6.875 1.00 0.00 H new ATOM 1605 N LEU A 111 -8.449 8.201 2.761 1.00 0.00 N ATOM 1606 CA LEU A 111 -9.616 8.251 1.902 1.00 0.00 C ATOM 1607 C LEU A 111 -10.795 7.597 2.606 1.00 0.00 C ATOM 1608 O LEU A 111 -10.692 7.099 3.724 1.00 0.00 O ATOM 1609 CB LEU A 111 -9.442 7.605 0.523 1.00 0.00 C ATOM 1610 CG LEU A 111 -8.094 7.955 -0.096 1.00 0.00 C ATOM 1611 CD1 LEU A 111 -7.075 6.943 0.384 1.00 0.00 C ATOM 1612 CD2 LEU A 111 -8.146 7.796 -1.584 1.00 0.00 C ATOM 0 H LEU A 111 -8.303 7.266 3.143 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.787 9.311 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.531 6.522 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.243 7.936 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 111 -7.843 8.979 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.101 7.175 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.009 6.981 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.381 5.944 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.176 8.050 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.393 6.763 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.908 8.459 -1.994 1.00 0.00 H new ATOM 1624 N VAL A 112 -11.914 7.554 1.899 1.00 0.00 N ATOM 1625 CA VAL A 112 -13.250 7.330 2.460 1.00 0.00 C ATOM 1626 C VAL A 112 -14.218 6.711 1.431 1.00 0.00 C ATOM 1627 O VAL A 112 -15.339 7.182 1.234 1.00 0.00 O ATOM 1628 CB VAL A 112 -13.704 8.650 3.129 1.00 0.00 C ATOM 1629 CG1 VAL A 112 -13.901 9.823 2.158 1.00 0.00 C ATOM 1630 CG2 VAL A 112 -14.929 8.492 4.036 1.00 0.00 C ATOM 0 H VAL A 112 -11.924 7.677 0.887 1.00 0.00 H new ATOM 0 HA VAL A 112 -13.238 6.568 3.239 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.855 8.907 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.219 10.706 2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -12.961 10.034 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.663 9.563 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -15.188 9.458 4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -15.770 8.120 3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -14.702 7.786 4.834 1.00 0.00 H new ATOM 1640 N PHE A 113 -13.748 5.701 0.694 1.00 0.00 N ATOM 1641 CA PHE A 113 -14.497 5.108 -0.412 1.00 0.00 C ATOM 1642 C PHE A 113 -15.682 4.257 0.069 1.00 0.00 C ATOM 1643 O PHE A 113 -15.855 4.018 1.268 1.00 0.00 O ATOM 1644 CB PHE A 113 -13.546 4.343 -1.344 1.00 0.00 C ATOM 1645 CG PHE A 113 -13.382 5.049 -2.669 1.00 0.00 C ATOM 1646 CD1 PHE A 113 -12.377 6.021 -2.831 1.00 0.00 C ATOM 1647 CD2 PHE A 113 -14.268 4.773 -3.724 1.00 0.00 C ATOM 1648 CE1 PHE A 113 -12.224 6.680 -4.063 1.00 0.00 C ATOM 1649 CE2 PHE A 113 -14.143 5.466 -4.937 1.00 0.00 C ATOM 1650 CZ PHE A 113 -13.107 6.398 -5.118 1.00 0.00 C ATOM 0 H PHE A 113 -12.836 5.272 0.849 1.00 0.00 H new ATOM 0 HA PHE A 113 -14.947 5.915 -0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -12.573 4.236 -0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -13.931 3.337 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -11.722 6.261 -2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -15.042 4.030 -3.601 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -11.431 7.400 -4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -14.846 5.282 -5.736 1.00 0.00 H new ATOM 0 HZ PHE A 113 -12.990 6.897 -6.068 1.00 0.00 H new ATOM 1660 N ARG A 114 -16.555 3.858 -0.865 1.00 0.00 N ATOM 1661 CA ARG A 114 -17.855 3.261 -0.572 1.00 0.00 C ATOM 1662 C ARG A 114 -18.256 2.234 -1.636 1.00 0.00 C ATOM 1663 O ARG A 114 -17.639 2.139 -2.697 1.00 0.00 O ATOM 1664 CB ARG A 114 -18.949 4.349 -0.492 1.00 0.00 C ATOM 1665 CG ARG A 114 -18.579 5.643 0.246 1.00 0.00 C ATOM 1666 CD ARG A 114 -19.830 6.482 0.532 1.00 0.00 C ATOM 1667 NE ARG A 114 -20.439 7.013 -0.690 1.00 0.00 N ATOM 1668 CZ ARG A 114 -20.078 8.118 -1.346 1.00 0.00 C ATOM 1669 NH1 ARG A 114 -19.074 8.883 -0.930 1.00 0.00 N ATOM 1670 NH2 ARG A 114 -20.736 8.444 -2.445 1.00 0.00 N ATOM 0 H ARG A 114 -16.369 3.945 -1.864 1.00 0.00 H new ATOM 0 HA ARG A 114 -17.764 2.756 0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -19.246 4.609 -1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -19.824 3.917 -0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -18.075 5.402 1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -17.877 6.222 -0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -20.560 5.871 1.062 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -19.567 7.309 1.192 1.00 0.00 H new ATOM 0 HE ARG A 114 -21.219 6.484 -1.080 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -18.556 8.631 -0.088 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -18.821 9.722 -1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -21.501 7.856 -2.775 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -20.478 9.284 -2.963 1.00 0.00 H new ATOM 1684 N ASP A 115 -19.379 1.586 -1.368 1.00 0.00 N ATOM 1685 CA ASP A 115 -20.171 0.664 -2.173 1.00 0.00 C ATOM 1686 C ASP A 115 -20.736 1.250 -3.472 1.00 0.00 C ATOM 1687 O ASP A 115 -20.862 2.476 -3.620 1.00 0.00 O ATOM 1688 CB ASP A 115 -21.343 0.186 -1.285 1.00 0.00 C ATOM 1689 CG ASP A 115 -22.279 1.327 -0.842 1.00 0.00 C ATOM 1690 OD1 ASP A 115 -21.787 2.303 -0.226 1.00 0.00 O ATOM 1691 OD2 ASP A 115 -23.505 1.298 -1.096 1.00 0.00 O ATOM 0 H ASP A 115 -19.816 1.712 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 115 -19.507 -0.140 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -21.923 -0.558 -1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -20.941 -0.309 -0.401 1.00 0.00 H new ATOM 1696 N GLY A 116 -21.096 0.349 -4.396 1.00 0.00 N ATOM 1697 CA GLY A 116 -22.046 0.575 -5.477 1.00 0.00 C ATOM 1698 C GLY A 116 -21.521 0.341 -6.888 1.00 0.00 C ATOM 1699 O GLY A 116 -22.275 -0.132 -7.742 1.00 0.00 O ATOM 0 H GLY A 116 -20.712 -0.596 -4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -22.907 -0.074 -5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -22.405 1.602 -5.410 1.00 0.00 H new ATOM 1703 N LYS A 117 -20.310 0.780 -7.231 1.00 0.00 N ATOM 1704 CA LYS A 117 -19.730 0.619 -8.526 1.00 0.00 C ATOM 1705 C LYS A 117 -18.247 0.314 -8.411 1.00 0.00 C ATOM 1706 O LYS A 117 -17.651 0.342 -7.334 1.00 0.00 O ATOM 1707 CB LYS A 117 -19.963 1.728 -9.556 1.00 0.00 C ATOM 1708 CG LYS A 117 -21.276 2.503 -9.525 1.00 0.00 C ATOM 1709 CD LYS A 117 -21.194 3.395 -8.295 1.00 0.00 C ATOM 1710 CE LYS A 117 -21.762 4.798 -8.552 1.00 0.00 C ATOM 1711 NZ LYS A 117 -23.221 4.864 -8.326 1.00 0.00 N ATOM 0 H LYS A 117 -19.700 1.272 -6.578 1.00 0.00 H new ATOM 0 HA LYS A 117 -20.285 -0.224 -8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -19.153 2.450 -9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -19.867 1.283 -10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -21.403 3.095 -10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -22.129 1.827 -9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -21.740 2.929 -7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -20.154 3.479 -7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -21.263 5.514 -7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -21.542 5.094 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -23.558 5.830 -8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -23.702 4.200 -8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -23.432 4.608 -7.340 1.00 0.00 H new ATOM 1725 N GLU A 118 -17.635 0.141 -9.565 1.00 0.00 N ATOM 1726 CA GLU A 118 -16.249 -0.222 -9.744 1.00 0.00 C ATOM 1727 C GLU A 118 -15.499 1.001 -10.246 1.00 0.00 C ATOM 1728 O GLU A 118 -16.000 1.731 -11.101 1.00 0.00 O ATOM 1729 CB GLU A 118 -16.126 -1.436 -10.684 1.00 0.00 C ATOM 1730 CG GLU A 118 -16.799 -1.239 -12.059 1.00 0.00 C ATOM 1731 CD GLU A 118 -16.584 -2.396 -13.042 1.00 0.00 C ATOM 1732 OE1 GLU A 118 -16.030 -3.452 -12.659 1.00 0.00 O ATOM 1733 OE2 GLU A 118 -16.942 -2.205 -14.232 1.00 0.00 O ATOM 0 H GLU A 118 -18.123 0.258 -10.453 1.00 0.00 H new ATOM 0 HA GLU A 118 -15.802 -0.532 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.070 -1.658 -10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -16.567 -2.305 -10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -17.870 -1.100 -11.909 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -16.418 -0.322 -12.508 1.00 0.00 H new ATOM 1740 N ILE A 119 -14.313 1.230 -9.693 1.00 0.00 N ATOM 1741 CA ILE A 119 -13.376 2.271 -10.074 1.00 0.00 C ATOM 1742 C ILE A 119 -11.973 1.721 -9.848 1.00 0.00 C ATOM 1743 O ILE A 119 -11.786 0.693 -9.186 1.00 0.00 O ATOM 1744 CB ILE A 119 -13.601 3.581 -9.287 1.00 0.00 C ATOM 1745 CG1 ILE A 119 -13.383 3.383 -7.782 1.00 0.00 C ATOM 1746 CG2 ILE A 119 -14.987 4.202 -9.541 1.00 0.00 C ATOM 1747 CD1 ILE A 119 -11.925 3.434 -7.314 1.00 0.00 C ATOM 0 H ILE A 119 -13.964 0.659 -8.923 1.00 0.00 H new ATOM 0 HA ILE A 119 -13.523 2.533 -11.122 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.854 4.281 -9.661 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -13.945 4.149 -7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -13.805 2.420 -7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -15.086 5.120 -8.961 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -15.095 4.429 -10.602 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -15.762 3.497 -9.240 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -11.884 3.283 -6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -11.355 2.650 -7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -11.497 4.406 -7.561 1.00 0.00 H new ATOM 1759 N SER A 120 -10.994 2.447 -10.370 1.00 0.00 N ATOM 1760 CA SER A 120 -9.583 2.150 -10.192 1.00 0.00 C ATOM 1761 C SER A 120 -8.635 3.295 -10.596 1.00 0.00 C ATOM 1762 O SER A 120 -7.461 3.057 -10.886 1.00 0.00 O ATOM 1763 CB SER A 120 -9.272 0.817 -10.893 1.00 0.00 C ATOM 1764 OG SER A 120 -10.116 0.457 -11.989 1.00 0.00 O ATOM 0 H SER A 120 -11.164 3.275 -10.940 1.00 0.00 H new ATOM 0 HA SER A 120 -9.388 2.047 -9.125 1.00 0.00 H new ATOM 0 HB2 SER A 120 -8.244 0.853 -11.253 1.00 0.00 H new ATOM 0 HB3 SER A 120 -9.322 0.022 -10.149 1.00 0.00 H new ATOM 0 HG SER A 120 -9.826 -0.404 -12.357 1.00 0.00 H new ATOM 1770 N THR A 121 -9.150 4.519 -10.717 1.00 0.00 N ATOM 1771 CA THR A 121 -8.461 5.584 -11.456 1.00 0.00 C ATOM 1772 C THR A 121 -8.564 7.003 -10.867 1.00 0.00 C ATOM 1773 O THR A 121 -7.925 7.915 -11.402 1.00 0.00 O ATOM 1774 CB THR A 121 -8.862 5.523 -12.952 1.00 0.00 C ATOM 1775 OG1 THR A 121 -10.004 4.716 -13.210 1.00 0.00 O ATOM 1776 CG2 THR A 121 -7.744 4.905 -13.791 1.00 0.00 C ATOM 0 H THR A 121 -10.043 4.800 -10.313 1.00 0.00 H new ATOM 0 HA THR A 121 -7.397 5.374 -11.350 1.00 0.00 H new ATOM 0 HB THR A 121 -9.070 6.561 -13.213 1.00 0.00 H new ATOM 0 HG1 THR A 121 -10.200 4.724 -14.170 1.00 0.00 H new ATOM 0 HG21 THR A 121 -8.049 4.873 -14.837 1.00 0.00 H new ATOM 0 HG22 THR A 121 -6.841 5.508 -13.695 1.00 0.00 H new ATOM 0 HG23 THR A 121 -7.543 3.893 -13.441 1.00 0.00 H new ATOM 1784 N ASP A 122 -9.276 7.209 -9.752 1.00 0.00 N ATOM 1785 CA ASP A 122 -9.151 8.421 -8.927 1.00 0.00 C ATOM 1786 C ASP A 122 -9.278 8.041 -7.455 1.00 0.00 C ATOM 1787 O ASP A 122 -10.218 8.415 -6.749 1.00 0.00 O ATOM 1788 CB ASP A 122 -10.115 9.555 -9.323 1.00 0.00 C ATOM 1789 CG ASP A 122 -9.820 10.834 -8.520 1.00 0.00 C ATOM 1790 OD1 ASP A 122 -8.677 11.050 -8.056 1.00 0.00 O ATOM 1791 OD2 ASP A 122 -10.705 11.710 -8.385 1.00 0.00 O ATOM 0 H ASP A 122 -9.957 6.539 -9.394 1.00 0.00 H new ATOM 0 HA ASP A 122 -8.162 8.840 -9.110 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -10.022 9.761 -10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -11.144 9.240 -9.148 1.00 0.00 H new ATOM 1796 N ASP A 123 -8.320 7.229 -7.029 1.00 0.00 N ATOM 1797 CA ASP A 123 -8.157 6.659 -5.704 1.00 0.00 C ATOM 1798 C ASP A 123 -6.801 7.101 -5.165 1.00 0.00 C ATOM 1799 O ASP A 123 -6.720 8.080 -4.425 1.00 0.00 O ATOM 1800 CB ASP A 123 -8.309 5.119 -5.707 1.00 0.00 C ATOM 1801 CG ASP A 123 -7.688 4.379 -6.919 1.00 0.00 C ATOM 1802 OD1 ASP A 123 -6.803 4.956 -7.596 1.00 0.00 O ATOM 1803 OD2 ASP A 123 -8.145 3.261 -7.243 1.00 0.00 O ATOM 0 H ASP A 123 -7.575 6.928 -7.657 1.00 0.00 H new ATOM 0 HA ASP A 123 -8.949 7.024 -5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.857 4.727 -4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -9.371 4.878 -5.664 1.00 0.00 H new ATOM 1808 N LEU A 124 -5.721 6.421 -5.529 1.00 0.00 N ATOM 1809 CA LEU A 124 -4.410 6.546 -4.925 1.00 0.00 C ATOM 1810 C LEU A 124 -3.397 6.534 -6.055 1.00 0.00 C ATOM 1811 O LEU A 124 -3.371 5.579 -6.836 1.00 0.00 O ATOM 1812 CB LEU A 124 -4.203 5.375 -3.952 1.00 0.00 C ATOM 1813 CG LEU A 124 -3.360 5.723 -2.724 1.00 0.00 C ATOM 1814 CD1 LEU A 124 -4.215 6.532 -1.740 1.00 0.00 C ATOM 1815 CD2 LEU A 124 -2.906 4.432 -2.036 1.00 0.00 C ATOM 0 H LEU A 124 -5.741 5.739 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 124 -4.299 7.469 -4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.177 5.016 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.725 4.553 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.491 6.304 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.620 6.783 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -4.556 7.448 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -5.078 5.940 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.305 4.678 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.779 3.858 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -2.310 3.840 -2.730 1.00 0.00 H new ATOM 1827 N ASN A 125 -2.591 7.585 -6.169 1.00 0.00 N ATOM 1828 CA ASN A 125 -1.435 7.609 -7.059 1.00 0.00 C ATOM 1829 C ASN A 125 -0.283 8.339 -6.377 1.00 0.00 C ATOM 1830 O ASN A 125 -0.065 9.535 -6.595 1.00 0.00 O ATOM 1831 CB ASN A 125 -1.764 8.215 -8.429 1.00 0.00 C ATOM 1832 CG ASN A 125 -0.546 8.049 -9.330 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -0.240 6.932 -9.740 1.00 0.00 O ATOM 1834 ND2 ASN A 125 0.176 9.121 -9.609 1.00 0.00 N ATOM 0 H ASN A 125 -2.722 8.449 -5.643 1.00 0.00 H new ATOM 0 HA ASN A 125 -1.133 6.580 -7.256 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -2.630 7.718 -8.866 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -2.020 9.270 -8.326 1.00 0.00 H new ATOM 0 HD21 ASN A 125 1.016 9.035 -10.181 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -0.107 10.034 -9.252 1.00 0.00 H new ATOM 1841 N LEU A 126 0.433 7.639 -5.501 1.00 0.00 N ATOM 1842 CA LEU A 126 1.605 8.157 -4.823 1.00 0.00 C ATOM 1843 C LEU A 126 2.840 7.460 -5.382 1.00 0.00 C ATOM 1844 O LEU A 126 2.789 6.307 -5.806 1.00 0.00 O ATOM 1845 CB LEU A 126 1.460 7.932 -3.310 1.00 0.00 C ATOM 1846 CG LEU A 126 1.730 9.205 -2.493 1.00 0.00 C ATOM 1847 CD1 LEU A 126 0.659 10.285 -2.686 1.00 0.00 C ATOM 1848 CD2 LEU A 126 1.849 8.813 -1.022 1.00 0.00 C ATOM 0 H LEU A 126 0.206 6.679 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 126 1.708 9.229 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.453 7.574 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.151 7.150 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 126 2.659 9.649 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.909 11.157 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.616 10.571 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.311 9.895 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.041 9.703 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.920 8.348 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.671 8.108 -0.899 1.00 0.00 H new ATOM 1860 N TYR A 127 3.969 8.154 -5.348 1.00 0.00 N ATOM 1861 CA TYR A 127 5.247 7.689 -5.853 1.00 0.00 C ATOM 1862 C TYR A 127 6.334 8.402 -5.056 1.00 0.00 C ATOM 1863 O TYR A 127 6.321 9.634 -4.930 1.00 0.00 O ATOM 1864 CB TYR A 127 5.366 7.951 -7.365 1.00 0.00 C ATOM 1865 CG TYR A 127 5.786 6.753 -8.192 1.00 0.00 C ATOM 1866 CD1 TYR A 127 7.122 6.314 -8.168 1.00 0.00 C ATOM 1867 CD2 TYR A 127 4.856 6.116 -9.035 1.00 0.00 C ATOM 1868 CE1 TYR A 127 7.542 5.273 -9.013 1.00 0.00 C ATOM 1869 CE2 TYR A 127 5.269 5.068 -9.874 1.00 0.00 C ATOM 1870 CZ TYR A 127 6.618 4.654 -9.882 1.00 0.00 C ATOM 1871 OH TYR A 127 7.013 3.638 -10.695 1.00 0.00 O ATOM 0 H TYR A 127 4.018 9.093 -4.952 1.00 0.00 H new ATOM 0 HA TYR A 127 5.349 6.611 -5.727 1.00 0.00 H new ATOM 0 HB2 TYR A 127 4.404 8.308 -7.733 1.00 0.00 H new ATOM 0 HB3 TYR A 127 6.086 8.754 -7.524 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.829 6.779 -7.497 1.00 0.00 H new ATOM 0 HD2 TYR A 127 3.824 6.433 -9.037 1.00 0.00 H new ATOM 0 HE1 TYR A 127 8.571 4.947 -8.998 1.00 0.00 H new ATOM 0 HE2 TYR A 127 4.552 4.577 -10.515 1.00 0.00 H new ATOM 0 HH TYR A 127 6.250 3.328 -11.225 1.00 0.00 H new ATOM 1881 N TYR A 128 7.244 7.620 -4.490 1.00 0.00 N ATOM 1882 CA TYR A 128 8.358 8.071 -3.680 1.00 0.00 C ATOM 1883 C TYR A 128 9.677 7.693 -4.331 1.00 0.00 C ATOM 1884 O TYR A 128 9.757 6.795 -5.176 1.00 0.00 O ATOM 1885 CB TYR A 128 8.262 7.481 -2.259 1.00 0.00 C ATOM 1886 CG TYR A 128 7.516 8.411 -1.340 1.00 0.00 C ATOM 1887 CD1 TYR A 128 8.179 9.563 -0.891 1.00 0.00 C ATOM 1888 CD2 TYR A 128 6.165 8.191 -1.019 1.00 0.00 C ATOM 1889 CE1 TYR A 128 7.480 10.535 -0.164 1.00 0.00 C ATOM 1890 CE2 TYR A 128 5.449 9.189 -0.326 1.00 0.00 C ATOM 1891 CZ TYR A 128 6.097 10.385 0.062 1.00 0.00 C ATOM 1892 OH TYR A 128 5.414 11.422 0.619 1.00 0.00 O ATOM 0 H TYR A 128 7.220 6.605 -4.591 1.00 0.00 H new ATOM 0 HA TYR A 128 8.315 9.157 -3.604 1.00 0.00 H new ATOM 0 HB2 TYR A 128 7.756 6.516 -2.295 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.263 7.302 -1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 128 9.228 9.700 -1.106 1.00 0.00 H new ATOM 0 HD2 TYR A 128 5.681 7.268 -1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 128 8.000 11.399 0.223 1.00 0.00 H new ATOM 0 HE2 TYR A 128 4.405 9.040 -0.091 1.00 0.00 H new ATOM 0 HH TYR A 128 4.616 11.613 0.084 1.00 0.00 H new ATOM 1902 N ASN A 129 10.716 8.382 -3.873 1.00 0.00 N ATOM 1903 CA ASN A 129 12.123 8.094 -4.035 1.00 0.00 C ATOM 1904 C ASN A 129 12.841 8.737 -2.864 1.00 0.00 C ATOM 1905 O ASN A 129 12.185 9.538 -2.154 1.00 0.00 O ATOM 1906 CB ASN A 129 12.682 8.605 -5.364 1.00 0.00 C ATOM 1907 CG ASN A 129 13.049 10.078 -5.431 1.00 0.00 C ATOM 1908 OD1 ASN A 129 14.070 10.431 -6.012 1.00 0.00 O ATOM 1909 ND2 ASN A 129 12.213 10.953 -4.906 1.00 0.00 N ATOM 0 H ASN A 129 10.574 9.233 -3.330 1.00 0.00 H new ATOM 0 HA ASN A 129 12.275 7.015 -4.052 1.00 0.00 H new ATOM 0 HB2 ASN A 129 13.571 8.022 -5.605 1.00 0.00 H new ATOM 0 HB3 ASN A 129 11.947 8.402 -6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 129 12.408 11.952 -4.978 1.00 0.00 H new ATOM 0 HD22 ASN A 129 11.371 10.631 -4.428 1.00 0.00 H new TER 1916 ASN A 129