USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 614 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 Single : A 1 SER N :NH3+ -150:sc= 0.0185 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00714 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -63:sc= 1.56 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -22:sc= 1.25 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 HIS : no HD1:sc= 0.862 K(o=0.86,f=-3.3!) USER MOD Single : A 29 GLN : amide:sc= 0.41 X(o=0.41,f=0) USER MOD Single : A 33 TYR OH : rot -165:sc= 0.514 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.271 USER MOD Single : A 37 ASN : amide:sc= 0.977 K(o=0.98,f=-0.0026) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.45 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -172:sc= 0.268 (180deg=0.0561) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.258 10.348 -56.513 1.00 0.00 N ATOM 2 CA SER A 1 -4.297 10.851 -55.500 1.00 0.00 C ATOM 3 C SER A 1 -3.199 11.719 -56.123 1.00 0.00 C ATOM 4 O SER A 1 -3.209 12.936 -55.937 1.00 0.00 O ATOM 5 CB SER A 1 -3.703 9.699 -54.679 1.00 0.00 C ATOM 6 OG SER A 1 -3.164 8.711 -55.548 1.00 0.00 O ATOM 0 H1 SER A 1 -6.193 10.227 -56.074 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.328 11.031 -57.294 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.927 9.433 -56.881 1.00 0.00 H new ATOM 0 HA SER A 1 -4.857 11.493 -54.820 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.924 10.077 -54.017 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.473 9.258 -54.046 1.00 0.00 H new ATOM 0 HG SER A 1 -2.785 7.980 -55.017 1.00 0.00 H new ATOM 14 N MET A 2 -2.268 11.144 -56.898 1.00 0.00 N ATOM 15 CA MET A 2 -1.027 11.804 -57.361 1.00 0.00 C ATOM 16 C MET A 2 -1.215 12.947 -58.381 1.00 0.00 C ATOM 17 O MET A 2 -0.255 13.660 -58.684 1.00 0.00 O ATOM 18 CB MET A 2 -0.061 10.743 -57.919 1.00 0.00 C ATOM 19 CG MET A 2 0.383 9.733 -56.853 1.00 0.00 C ATOM 20 SD MET A 2 1.593 8.522 -57.453 1.00 0.00 S ATOM 21 CE MET A 2 1.836 7.566 -55.931 1.00 0.00 C ATOM 0 H MET A 2 -2.354 10.184 -57.231 1.00 0.00 H new ATOM 0 HA MET A 2 -0.614 12.294 -56.479 1.00 0.00 H new ATOM 0 HB2 MET A 2 -0.544 10.212 -58.739 1.00 0.00 H new ATOM 0 HB3 MET A 2 0.817 11.238 -58.334 1.00 0.00 H new ATOM 0 HG2 MET A 2 0.812 10.274 -56.009 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.494 9.203 -56.480 1.00 0.00 H new ATOM 0 HE1 MET A 2 2.557 6.769 -56.113 1.00 0.00 H new ATOM 0 HE2 MET A 2 2.211 8.222 -55.145 1.00 0.00 H new ATOM 0 HE3 MET A 2 0.886 7.132 -55.618 1.00 0.00 H new ATOM 31 N ALA A 3 -2.429 13.150 -58.903 1.00 0.00 N ATOM 32 CA ALA A 3 -2.788 14.277 -59.773 1.00 0.00 C ATOM 33 C ALA A 3 -3.164 15.568 -59.003 1.00 0.00 C ATOM 34 O ALA A 3 -3.207 16.644 -59.602 1.00 0.00 O ATOM 35 CB ALA A 3 -3.923 13.816 -60.694 1.00 0.00 C ATOM 0 H ALA A 3 -3.211 12.519 -58.728 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.909 14.557 -60.354 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.212 14.634 -61.354 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.585 12.970 -61.292 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.781 13.515 -60.092 1.00 0.00 H new ATOM 41 N ASP A 4 -3.424 15.492 -57.691 1.00 0.00 N ATOM 42 CA ASP A 4 -3.749 16.652 -56.847 1.00 0.00 C ATOM 43 C ASP A 4 -2.470 17.386 -56.402 1.00 0.00 C ATOM 44 O ASP A 4 -1.702 16.875 -55.581 1.00 0.00 O ATOM 45 CB ASP A 4 -4.596 16.190 -55.649 1.00 0.00 C ATOM 46 CG ASP A 4 -4.964 17.355 -54.712 1.00 0.00 C ATOM 47 OD1 ASP A 4 -5.367 18.433 -55.212 1.00 0.00 O ATOM 48 OD2 ASP A 4 -4.869 17.192 -53.471 1.00 0.00 O ATOM 0 H ASP A 4 -3.415 14.611 -57.178 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.334 17.368 -57.424 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.508 15.716 -56.012 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.046 15.434 -55.088 1.00 0.00 H new ATOM 53 N ARG A 5 -2.216 18.572 -56.979 1.00 0.00 N ATOM 54 CA ARG A 5 -0.960 19.337 -56.833 1.00 0.00 C ATOM 55 C ARG A 5 -1.211 20.844 -56.713 1.00 0.00 C ATOM 56 O ARG A 5 -2.191 21.367 -57.243 1.00 0.00 O ATOM 57 CB ARG A 5 -0.018 19.045 -58.023 1.00 0.00 C ATOM 58 CG ARG A 5 0.307 17.551 -58.187 1.00 0.00 C ATOM 59 CD ARG A 5 1.284 17.289 -59.335 1.00 0.00 C ATOM 60 NE ARG A 5 1.400 15.840 -59.572 1.00 0.00 N ATOM 61 CZ ARG A 5 2.204 15.213 -60.405 1.00 0.00 C ATOM 62 NH1 ARG A 5 3.077 15.838 -61.146 1.00 0.00 N ATOM 63 NH2 ARG A 5 2.126 13.919 -60.498 1.00 0.00 N ATOM 0 H ARG A 5 -2.896 19.041 -57.577 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.486 19.013 -55.907 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -0.478 19.413 -58.940 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.911 19.599 -57.887 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.732 17.170 -57.258 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.616 16.999 -58.366 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.938 17.788 -60.240 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.262 17.707 -59.095 1.00 0.00 H new ATOM 0 HE ARG A 5 0.779 15.247 -59.021 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.157 16.854 -61.094 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.680 15.311 -61.778 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.450 13.407 -59.931 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.741 13.416 -61.138 1.00 0.00 H new ATOM 77 N VAL A 6 -0.269 21.559 -56.092 1.00 0.00 N ATOM 78 CA VAL A 6 -0.306 23.025 -55.871 1.00 0.00 C ATOM 79 C VAL A 6 0.174 23.857 -57.079 1.00 0.00 C ATOM 80 O VAL A 6 0.540 25.026 -56.945 1.00 0.00 O ATOM 81 CB VAL A 6 0.416 23.416 -54.560 1.00 0.00 C ATOM 82 CG1 VAL A 6 -0.261 22.771 -53.345 1.00 0.00 C ATOM 83 CG2 VAL A 6 1.902 23.031 -54.558 1.00 0.00 C ATOM 0 H VAL A 6 0.574 21.127 -55.712 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.359 23.283 -55.760 1.00 0.00 H new ATOM 0 HB VAL A 6 0.346 24.502 -54.497 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.267 23.063 -52.437 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.297 23.105 -53.286 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.235 21.686 -53.447 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.354 23.331 -53.613 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.999 21.952 -54.681 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.410 23.536 -55.379 1.00 0.00 H new ATOM 93 N LEU A 7 0.170 23.258 -58.274 1.00 0.00 N ATOM 94 CA LEU A 7 0.600 23.875 -59.538 1.00 0.00 C ATOM 95 C LEU A 7 -0.481 24.774 -60.178 1.00 0.00 C ATOM 96 O LEU A 7 -0.166 25.599 -61.040 1.00 0.00 O ATOM 97 CB LEU A 7 1.033 22.759 -60.513 1.00 0.00 C ATOM 98 CG LEU A 7 2.204 21.878 -60.028 1.00 0.00 C ATOM 99 CD1 LEU A 7 2.462 20.762 -61.040 1.00 0.00 C ATOM 100 CD2 LEU A 7 3.499 22.670 -59.845 1.00 0.00 C ATOM 0 H LEU A 7 -0.144 22.295 -58.395 1.00 0.00 H new ATOM 0 HA LEU A 7 1.439 24.535 -59.318 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.174 22.117 -60.709 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.313 23.216 -61.462 1.00 0.00 H new ATOM 0 HG LEU A 7 1.913 21.472 -59.059 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.289 20.142 -60.695 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.567 20.149 -61.142 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.714 21.198 -62.006 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.289 22.002 -59.503 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.789 23.118 -60.795 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.343 23.456 -59.106 1.00 0.00 H new ATOM 112 N ARG A 8 -1.746 24.624 -59.761 1.00 0.00 N ATOM 113 CA ARG A 8 -2.902 25.420 -60.222 1.00 0.00 C ATOM 114 C ARG A 8 -3.075 26.710 -59.401 1.00 0.00 C ATOM 115 O ARG A 8 -2.567 26.817 -58.282 1.00 0.00 O ATOM 116 CB ARG A 8 -4.175 24.548 -60.224 1.00 0.00 C ATOM 117 CG ARG A 8 -4.048 23.336 -61.165 1.00 0.00 C ATOM 118 CD ARG A 8 -5.347 22.525 -61.248 1.00 0.00 C ATOM 119 NE ARG A 8 -5.163 21.327 -62.090 1.00 0.00 N ATOM 120 CZ ARG A 8 -6.065 20.403 -62.376 1.00 0.00 C ATOM 121 NH1 ARG A 8 -7.295 20.466 -61.956 1.00 0.00 N ATOM 122 NH2 ARG A 8 -5.738 19.377 -63.108 1.00 0.00 N ATOM 0 H ARG A 8 -2.006 23.921 -59.069 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.714 25.742 -61.246 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.376 24.200 -59.211 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.028 25.154 -60.528 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.773 23.680 -62.162 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.241 22.691 -60.816 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.660 22.227 -60.247 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.143 23.146 -61.659 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.237 21.197 -62.497 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.598 21.252 -61.381 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.956 19.729 -62.202 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.786 19.285 -63.461 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.434 18.665 -63.328 1.00 0.00 H new ATOM 136 N GLY A 9 -3.783 27.690 -59.968 1.00 0.00 N ATOM 137 CA GLY A 9 -4.051 28.999 -59.350 1.00 0.00 C ATOM 138 C GLY A 9 -5.104 28.970 -58.231 1.00 0.00 C ATOM 139 O GLY A 9 -5.473 27.909 -57.722 1.00 0.00 O ATOM 0 H GLY A 9 -4.199 27.596 -60.895 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.119 29.393 -58.945 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.380 29.692 -60.124 1.00 0.00 H new ATOM 143 N SER A 10 -5.625 30.146 -57.862 1.00 0.00 N ATOM 144 CA SER A 10 -6.632 30.315 -56.792 1.00 0.00 C ATOM 145 C SER A 10 -7.976 29.619 -57.073 1.00 0.00 C ATOM 146 O SER A 10 -8.744 29.364 -56.143 1.00 0.00 O ATOM 147 CB SER A 10 -6.888 31.806 -56.537 1.00 0.00 C ATOM 148 OG SER A 10 -5.673 32.510 -56.316 1.00 0.00 O ATOM 0 H SER A 10 -5.358 31.026 -58.303 1.00 0.00 H new ATOM 0 HA SER A 10 -6.205 29.833 -55.913 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.411 32.238 -57.390 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.540 31.922 -55.671 1.00 0.00 H new ATOM 0 HG SER A 10 -5.868 33.457 -56.158 1.00 0.00 H new ATOM 154 N ARG A 11 -8.243 29.271 -58.340 1.00 0.00 N ATOM 155 CA ARG A 11 -9.254 28.289 -58.765 1.00 0.00 C ATOM 156 C ARG A 11 -8.562 27.115 -59.469 1.00 0.00 C ATOM 157 O ARG A 11 -7.732 27.322 -60.356 1.00 0.00 O ATOM 158 CB ARG A 11 -10.328 28.983 -59.619 1.00 0.00 C ATOM 159 CG ARG A 11 -11.462 28.027 -60.033 1.00 0.00 C ATOM 160 CD ARG A 11 -12.648 28.770 -60.657 1.00 0.00 C ATOM 161 NE ARG A 11 -12.298 29.410 -61.942 1.00 0.00 N ATOM 162 CZ ARG A 11 -13.063 30.222 -62.651 1.00 0.00 C ATOM 163 NH1 ARG A 11 -14.265 30.553 -62.270 1.00 0.00 N ATOM 164 NH2 ARG A 11 -12.630 30.724 -63.773 1.00 0.00 N ATOM 0 H ARG A 11 -7.742 29.681 -59.128 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.775 27.870 -57.904 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.748 29.819 -59.060 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.864 29.399 -60.513 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.077 27.297 -60.745 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.803 27.471 -59.160 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.469 28.071 -60.814 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.004 29.529 -59.961 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.373 29.205 -62.320 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.644 30.182 -61.398 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.827 31.183 -62.843 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.696 30.491 -64.109 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.226 31.350 -64.315 1.00 0.00 H new ATOM 178 N LEU A 12 -8.898 25.890 -59.061 1.00 0.00 N ATOM 179 CA LEU A 12 -8.197 24.647 -59.416 1.00 0.00 C ATOM 180 C LEU A 12 -8.999 23.730 -60.366 1.00 0.00 C ATOM 181 O LEU A 12 -8.580 22.604 -60.633 1.00 0.00 O ATOM 182 CB LEU A 12 -7.772 23.901 -58.128 1.00 0.00 C ATOM 183 CG LEU A 12 -6.765 24.647 -57.224 1.00 0.00 C ATOM 184 CD1 LEU A 12 -7.438 25.554 -56.186 1.00 0.00 C ATOM 185 CD2 LEU A 12 -5.918 23.638 -56.443 1.00 0.00 C ATOM 0 H LEU A 12 -9.698 25.726 -58.449 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.309 24.931 -59.981 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.666 23.685 -57.543 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.337 22.943 -58.412 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.165 25.261 -57.896 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.675 26.048 -55.585 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.041 26.306 -56.696 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.078 24.954 -55.539 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.210 24.171 -55.808 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.568 23.020 -55.823 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.372 23.004 -57.141 1.00 0.00 H new ATOM 197 N GLY A 13 -10.158 24.176 -60.858 1.00 0.00 N ATOM 198 CA GLY A 13 -11.100 23.388 -61.674 1.00 0.00 C ATOM 199 C GLY A 13 -12.136 22.611 -60.845 1.00 0.00 C ATOM 200 O GLY A 13 -13.273 22.431 -61.288 1.00 0.00 O ATOM 0 H GLY A 13 -10.482 25.129 -60.696 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.623 24.057 -62.357 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.536 22.684 -62.286 1.00 0.00 H new ATOM 204 N ALA A 14 -11.783 22.233 -59.612 1.00 0.00 N ATOM 205 CA ALA A 14 -12.734 21.924 -58.540 1.00 0.00 C ATOM 206 C ALA A 14 -13.376 23.216 -57.984 1.00 0.00 C ATOM 207 O ALA A 14 -12.946 24.325 -58.320 1.00 0.00 O ATOM 208 CB ALA A 14 -11.985 21.134 -57.456 1.00 0.00 C ATOM 0 H ALA A 14 -10.809 22.131 -59.326 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.556 21.317 -58.921 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.670 20.890 -56.644 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.589 20.214 -57.885 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.164 21.737 -57.069 1.00 0.00 H new ATOM 214 N VAL A 15 -14.384 23.101 -57.110 1.00 0.00 N ATOM 215 CA VAL A 15 -15.037 24.268 -56.481 1.00 0.00 C ATOM 216 C VAL A 15 -14.069 24.960 -55.520 1.00 0.00 C ATOM 217 O VAL A 15 -13.745 24.449 -54.445 1.00 0.00 O ATOM 218 CB VAL A 15 -16.368 23.896 -55.794 1.00 0.00 C ATOM 219 CG1 VAL A 15 -17.066 25.137 -55.218 1.00 0.00 C ATOM 220 CG2 VAL A 15 -17.342 23.240 -56.784 1.00 0.00 C ATOM 0 H VAL A 15 -14.772 22.204 -56.817 1.00 0.00 H new ATOM 0 HA VAL A 15 -15.296 24.973 -57.271 1.00 0.00 H new ATOM 0 HB VAL A 15 -16.115 23.200 -54.994 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.000 24.841 -54.741 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -16.417 25.611 -54.481 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -17.277 25.842 -56.022 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -18.270 22.990 -56.270 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.554 23.932 -57.599 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.894 22.332 -57.187 1.00 0.00 H new ATOM 230 N SER A 16 -13.568 26.114 -55.960 1.00 0.00 N ATOM 231 CA SER A 16 -12.460 26.852 -55.350 1.00 0.00 C ATOM 232 C SER A 16 -12.432 28.313 -55.825 1.00 0.00 C ATOM 233 O SER A 16 -12.913 28.636 -56.916 1.00 0.00 O ATOM 234 CB SER A 16 -11.138 26.149 -55.681 1.00 0.00 C ATOM 235 OG SER A 16 -10.987 25.910 -57.070 1.00 0.00 O ATOM 0 H SER A 16 -13.939 26.581 -56.787 1.00 0.00 H new ATOM 0 HA SER A 16 -12.602 26.865 -54.269 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.307 26.759 -55.327 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.089 25.201 -55.144 1.00 0.00 H new ATOM 0 HG SER A 16 -11.688 25.297 -57.375 1.00 0.00 H new ATOM 241 N TYR A 17 -11.916 29.210 -54.982 1.00 0.00 N ATOM 242 CA TYR A 17 -11.981 30.666 -55.164 1.00 0.00 C ATOM 243 C TYR A 17 -10.928 31.411 -54.320 1.00 0.00 C ATOM 244 O TYR A 17 -10.418 30.892 -53.325 1.00 0.00 O ATOM 245 CB TYR A 17 -13.407 31.161 -54.832 1.00 0.00 C ATOM 246 CG TYR A 17 -14.094 30.463 -53.666 1.00 0.00 C ATOM 247 CD1 TYR A 17 -13.716 30.744 -52.337 1.00 0.00 C ATOM 248 CD2 TYR A 17 -15.095 29.502 -53.918 1.00 0.00 C ATOM 249 CE1 TYR A 17 -14.336 30.069 -51.268 1.00 0.00 C ATOM 250 CE2 TYR A 17 -15.715 28.821 -52.851 1.00 0.00 C ATOM 251 CZ TYR A 17 -15.337 29.106 -51.520 1.00 0.00 C ATOM 252 OH TYR A 17 -15.928 28.457 -50.480 1.00 0.00 O ATOM 0 H TYR A 17 -11.427 28.938 -54.129 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.751 30.887 -56.206 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.360 32.228 -54.616 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -14.029 31.043 -55.720 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.949 31.478 -52.139 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -15.388 29.287 -54.935 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.045 30.289 -50.252 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.478 28.083 -53.051 1.00 0.00 H new ATOM 0 HH TYR A 17 -16.596 27.828 -50.824 1.00 0.00 H new ATOM 262 N GLU A 18 -10.636 32.663 -54.690 1.00 0.00 N ATOM 263 CA GLU A 18 -9.646 33.531 -54.019 1.00 0.00 C ATOM 264 C GLU A 18 -10.141 34.221 -52.727 1.00 0.00 C ATOM 265 O GLU A 18 -9.363 34.903 -52.056 1.00 0.00 O ATOM 266 CB GLU A 18 -9.084 34.549 -55.028 1.00 0.00 C ATOM 267 CG GLU A 18 -10.121 35.567 -55.528 1.00 0.00 C ATOM 268 CD GLU A 18 -9.459 36.612 -56.440 1.00 0.00 C ATOM 269 OE1 GLU A 18 -8.800 37.538 -55.904 1.00 0.00 O ATOM 270 OE2 GLU A 18 -9.593 36.523 -57.685 1.00 0.00 O ATOM 0 H GLU A 18 -11.089 33.117 -55.483 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.852 32.870 -53.671 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.256 35.086 -54.565 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.676 34.011 -55.883 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.912 35.051 -56.072 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.590 36.063 -54.678 1.00 0.00 H new ATOM 277 N THR A 19 -11.413 34.010 -52.364 1.00 0.00 N ATOM 278 CA THR A 19 -12.180 34.635 -51.258 1.00 0.00 C ATOM 279 C THR A 19 -12.417 36.151 -51.386 1.00 0.00 C ATOM 280 O THR A 19 -11.675 36.878 -52.049 1.00 0.00 O ATOM 281 CB THR A 19 -11.664 34.261 -49.849 1.00 0.00 C ATOM 282 OG1 THR A 19 -10.414 34.844 -49.557 1.00 0.00 O ATOM 283 CG2 THR A 19 -11.539 32.750 -49.641 1.00 0.00 C ATOM 0 H THR A 19 -11.989 33.341 -52.876 1.00 0.00 H new ATOM 0 HA THR A 19 -13.164 34.181 -51.375 1.00 0.00 H new ATOM 0 HB THR A 19 -12.421 34.657 -49.172 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.954 35.068 -50.393 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.172 32.550 -48.634 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.515 32.283 -49.771 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.840 32.339 -50.370 1.00 0.00 H new ATOM 291 N ASP A 20 -13.498 36.637 -50.764 1.00 0.00 N ATOM 292 CA ASP A 20 -13.877 38.059 -50.742 1.00 0.00 C ATOM 293 C ASP A 20 -13.082 38.865 -49.688 1.00 0.00 C ATOM 294 O ASP A 20 -12.563 38.301 -48.720 1.00 0.00 O ATOM 295 CB ASP A 20 -15.399 38.168 -50.547 1.00 0.00 C ATOM 296 CG ASP A 20 -15.937 39.597 -50.742 1.00 0.00 C ATOM 297 OD1 ASP A 20 -15.413 40.333 -51.612 1.00 0.00 O ATOM 298 OD2 ASP A 20 -16.887 39.980 -50.019 1.00 0.00 O ATOM 0 H ASP A 20 -14.148 36.042 -50.251 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.614 38.510 -51.699 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -15.897 37.501 -51.250 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.655 37.824 -49.545 1.00 0.00 H new ATOM 303 N ARG A 21 -12.967 40.186 -49.886 1.00 0.00 N ATOM 304 CA ARG A 21 -12.073 41.095 -49.135 1.00 0.00 C ATOM 305 C ARG A 21 -12.793 42.384 -48.699 1.00 0.00 C ATOM 306 O ARG A 21 -13.765 42.791 -49.334 1.00 0.00 O ATOM 307 CB ARG A 21 -10.838 41.423 -50.002 1.00 0.00 C ATOM 308 CG ARG A 21 -10.043 40.179 -50.433 1.00 0.00 C ATOM 309 CD ARG A 21 -8.762 40.574 -51.178 1.00 0.00 C ATOM 310 NE ARG A 21 -8.091 39.391 -51.753 1.00 0.00 N ATOM 311 CZ ARG A 21 -8.276 38.885 -52.962 1.00 0.00 C ATOM 312 NH1 ARG A 21 -9.097 39.388 -53.835 1.00 0.00 N ATOM 313 NH2 ARG A 21 -7.626 37.837 -53.367 1.00 0.00 N ATOM 0 H ARG A 21 -13.511 40.674 -50.598 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.757 40.589 -48.223 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.162 41.964 -50.891 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.180 42.090 -49.445 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.789 39.584 -49.556 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.662 39.552 -51.075 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.004 41.280 -51.972 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.083 41.084 -50.494 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.415 38.914 -51.157 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.642 40.218 -53.603 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.196 38.952 -54.752 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.954 37.383 -52.748 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.787 37.467 -54.304 1.00 0.00 H new ATOM 327 N ASN A 22 -12.366 43.083 -47.643 1.00 0.00 N ATOM 328 CA ASN A 22 -11.225 42.826 -46.741 1.00 0.00 C ATOM 329 C ASN A 22 -11.639 42.200 -45.385 1.00 0.00 C ATOM 330 O ASN A 22 -10.810 42.069 -44.481 1.00 0.00 O ATOM 331 CB ASN A 22 -10.450 44.149 -46.556 1.00 0.00 C ATOM 332 CG ASN A 22 -9.818 44.657 -47.843 1.00 0.00 C ATOM 333 OD1 ASN A 22 -10.375 45.478 -48.559 1.00 0.00 O ATOM 334 ND2 ASN A 22 -8.644 44.175 -48.189 1.00 0.00 N ATOM 0 H ASN A 22 -12.858 43.932 -47.365 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.581 42.076 -47.201 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.128 44.909 -46.167 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.670 44.005 -45.808 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.200 44.486 -49.053 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.178 43.490 -47.593 1.00 0.00 H new ATOM 341 N HIS A 23 -12.914 41.825 -45.229 1.00 0.00 N ATOM 342 CA HIS A 23 -13.472 41.190 -44.023 1.00 0.00 C ATOM 343 C HIS A 23 -12.964 39.751 -43.800 1.00 0.00 C ATOM 344 O HIS A 23 -12.369 39.132 -44.686 1.00 0.00 O ATOM 345 CB HIS A 23 -15.008 41.250 -44.089 1.00 0.00 C ATOM 346 CG HIS A 23 -15.600 40.496 -45.258 1.00 0.00 C ATOM 347 ND1 HIS A 23 -15.874 39.125 -45.289 1.00 0.00 N ATOM 348 CD2 HIS A 23 -15.931 41.039 -46.466 1.00 0.00 C ATOM 349 CE1 HIS A 23 -16.353 38.873 -46.519 1.00 0.00 C ATOM 350 NE2 HIS A 23 -16.399 40.003 -47.244 1.00 0.00 N ATOM 0 H HIS A 23 -13.611 41.958 -45.961 1.00 0.00 H new ATOM 0 HA HIS A 23 -13.121 41.750 -43.156 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -15.418 40.846 -43.163 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -15.319 42.293 -44.147 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -15.843 42.076 -46.755 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -16.658 37.900 -46.874 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -16.725 40.081 -48.207 1.00 0.00 H new ATOM 358 N ASP A 24 -13.198 39.218 -42.598 1.00 0.00 N ATOM 359 CA ASP A 24 -12.787 37.874 -42.166 1.00 0.00 C ATOM 360 C ASP A 24 -13.832 37.180 -41.273 1.00 0.00 C ATOM 361 O ASP A 24 -14.701 37.828 -40.680 1.00 0.00 O ATOM 362 CB ASP A 24 -11.429 37.935 -41.441 1.00 0.00 C ATOM 363 CG ASP A 24 -11.488 38.685 -40.097 1.00 0.00 C ATOM 364 OD1 ASP A 24 -11.367 39.935 -40.084 1.00 0.00 O ATOM 365 OD2 ASP A 24 -11.624 38.022 -39.040 1.00 0.00 O ATOM 0 H ASP A 24 -13.698 39.728 -41.869 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.695 37.273 -43.071 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.072 36.920 -41.267 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.701 38.422 -42.089 1.00 0.00 H new ATOM 370 N LEU A 25 -13.706 35.855 -41.157 1.00 0.00 N ATOM 371 CA LEU A 25 -14.423 35.006 -40.202 1.00 0.00 C ATOM 372 C LEU A 25 -13.423 34.162 -39.391 1.00 0.00 C ATOM 373 O LEU A 25 -12.405 33.707 -39.922 1.00 0.00 O ATOM 374 CB LEU A 25 -15.438 34.109 -40.941 1.00 0.00 C ATOM 375 CG LEU A 25 -16.594 34.855 -41.638 1.00 0.00 C ATOM 376 CD1 LEU A 25 -17.433 33.860 -42.443 1.00 0.00 C ATOM 377 CD2 LEU A 25 -17.526 35.553 -40.643 1.00 0.00 C ATOM 0 H LEU A 25 -13.073 35.321 -41.753 1.00 0.00 H new ATOM 0 HA LEU A 25 -14.976 35.638 -39.508 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.903 33.523 -41.688 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.862 33.403 -40.226 1.00 0.00 H new ATOM 0 HG LEU A 25 -16.140 35.611 -42.279 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -18.250 34.388 -42.935 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.806 33.380 -43.194 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -17.841 33.103 -41.773 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.322 36.063 -41.186 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -17.961 34.813 -39.971 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -16.959 36.281 -40.062 1.00 0.00 H new ATOM 389 N ALA A 26 -13.727 33.942 -38.110 1.00 0.00 N ATOM 390 CA ALA A 26 -12.892 33.209 -37.151 1.00 0.00 C ATOM 391 C ALA A 26 -13.698 32.164 -36.334 1.00 0.00 C ATOM 392 O ALA A 26 -14.904 32.355 -36.132 1.00 0.00 O ATOM 393 CB ALA A 26 -12.209 34.239 -36.237 1.00 0.00 C ATOM 0 H ALA A 26 -14.594 34.282 -37.695 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.144 32.632 -37.694 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.580 33.722 -35.512 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.594 34.908 -36.839 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.968 34.818 -35.711 1.00 0.00 H new ATOM 399 N PRO A 27 -13.051 31.081 -35.846 1.00 0.00 N ATOM 400 CA PRO A 27 -13.656 30.034 -35.015 1.00 0.00 C ATOM 401 C PRO A 27 -13.822 30.481 -33.547 1.00 0.00 C ATOM 402 O PRO A 27 -14.070 31.654 -33.259 1.00 0.00 O ATOM 403 CB PRO A 27 -12.751 28.814 -35.243 1.00 0.00 C ATOM 404 CG PRO A 27 -11.368 29.453 -35.313 1.00 0.00 C ATOM 405 CD PRO A 27 -11.652 30.735 -36.099 1.00 0.00 C ATOM 0 HA PRO A 27 -14.684 29.794 -35.287 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.826 28.093 -34.429 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.003 28.285 -36.162 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.964 29.662 -34.322 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.648 28.813 -35.822 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -10.990 31.540 -35.779 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.477 30.583 -37.164 1.00 0.00 H new ATOM 413 N ARG A 28 -13.753 29.513 -32.626 1.00 0.00 N ATOM 414 CA ARG A 28 -14.163 29.594 -31.211 1.00 0.00 C ATOM 415 C ARG A 28 -13.640 30.814 -30.433 1.00 0.00 C ATOM 416 O ARG A 28 -12.574 31.369 -30.705 1.00 0.00 O ATOM 417 CB ARG A 28 -13.790 28.281 -30.488 1.00 0.00 C ATOM 418 CG ARG A 28 -12.275 28.059 -30.329 1.00 0.00 C ATOM 419 CD ARG A 28 -11.995 26.749 -29.585 1.00 0.00 C ATOM 420 NE ARG A 28 -10.546 26.545 -29.383 1.00 0.00 N ATOM 421 CZ ARG A 28 -9.973 25.539 -28.746 1.00 0.00 C ATOM 422 NH1 ARG A 28 -10.664 24.572 -28.209 1.00 0.00 N ATOM 423 NH2 ARG A 28 -8.677 25.485 -28.633 1.00 0.00 N ATOM 0 H ARG A 28 -13.386 28.590 -32.860 1.00 0.00 H new ATOM 0 HA ARG A 28 -15.244 29.735 -31.229 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.252 28.279 -29.501 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.213 27.442 -31.040 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.801 28.034 -31.310 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.835 28.894 -29.784 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.501 26.762 -28.619 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.407 25.913 -30.150 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.925 27.253 -29.775 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.682 24.576 -28.273 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.186 23.812 -27.725 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.099 26.222 -29.037 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.240 24.706 -28.140 1.00 0.00 H new ATOM 437 N GLN A 29 -14.438 31.213 -29.443 1.00 0.00 N ATOM 438 CA GLN A 29 -14.427 32.508 -28.761 1.00 0.00 C ATOM 439 C GLN A 29 -14.374 32.298 -27.244 1.00 0.00 C ATOM 440 O GLN A 29 -15.369 31.979 -26.597 1.00 0.00 O ATOM 441 CB GLN A 29 -15.703 33.294 -29.119 1.00 0.00 C ATOM 442 CG GLN A 29 -15.952 33.497 -30.626 1.00 0.00 C ATOM 443 CD GLN A 29 -17.328 32.998 -31.046 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.138 33.718 -31.616 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.620 31.744 -30.773 1.00 0.00 N ATOM 0 H GLN A 29 -15.160 30.597 -29.070 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.549 33.069 -29.081 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.561 32.774 -28.693 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.653 34.272 -28.641 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.859 34.555 -30.870 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.186 32.971 -31.195 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.938 31.153 -30.298 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.529 31.363 -31.037 1.00 0.00 H new ATOM 454 N ILE A 30 -13.193 32.473 -26.669 1.00 0.00 N ATOM 455 CA ILE A 30 -12.968 32.421 -25.229 1.00 0.00 C ATOM 456 C ILE A 30 -13.308 33.791 -24.630 1.00 0.00 C ATOM 457 O ILE A 30 -12.563 34.761 -24.790 1.00 0.00 O ATOM 458 CB ILE A 30 -11.526 31.967 -24.917 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.210 30.521 -25.371 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.284 32.013 -23.395 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.344 30.160 -26.857 1.00 0.00 C ATOM 0 H ILE A 30 -12.344 32.660 -27.202 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.620 31.679 -24.768 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.883 32.652 -25.469 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.187 30.298 -25.070 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.861 29.851 -24.810 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.265 31.692 -23.179 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.428 33.032 -23.034 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.988 31.348 -22.894 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.086 29.111 -27.001 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.371 30.329 -27.181 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.670 30.783 -27.445 1.00 0.00 H new ATOM 473 N ALA A 31 -14.433 33.853 -23.923 1.00 0.00 N ATOM 474 CA ALA A 31 -14.820 34.972 -23.069 1.00 0.00 C ATOM 475 C ALA A 31 -14.457 34.702 -21.598 1.00 0.00 C ATOM 476 O ALA A 31 -14.238 33.558 -21.194 1.00 0.00 O ATOM 477 CB ALA A 31 -16.319 35.228 -23.256 1.00 0.00 C ATOM 0 H ALA A 31 -15.123 33.101 -23.929 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.268 35.867 -23.356 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.627 36.062 -22.625 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.519 35.469 -24.300 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.878 34.335 -22.976 1.00 0.00 H new ATOM 483 N ARG A 32 -14.420 35.758 -20.780 1.00 0.00 N ATOM 484 CA ARG A 32 -14.263 35.692 -19.317 1.00 0.00 C ATOM 485 C ARG A 32 -15.530 36.176 -18.621 1.00 0.00 C ATOM 486 O ARG A 32 -16.191 37.089 -19.112 1.00 0.00 O ATOM 487 CB ARG A 32 -13.025 36.498 -18.877 1.00 0.00 C ATOM 488 CG ARG A 32 -11.793 35.587 -18.815 1.00 0.00 C ATOM 489 CD ARG A 32 -10.480 36.377 -18.771 1.00 0.00 C ATOM 490 NE ARG A 32 -9.319 35.466 -18.833 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.140 35.696 -19.385 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.808 36.851 -19.881 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.267 34.741 -19.457 1.00 0.00 N ATOM 0 H ARG A 32 -14.501 36.714 -21.125 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.105 34.654 -19.022 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.847 37.315 -19.576 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.203 36.947 -17.900 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.860 34.950 -17.933 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.788 34.928 -19.684 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.443 37.078 -19.605 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.436 36.968 -17.856 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.441 34.551 -18.399 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.470 37.627 -19.854 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.886 36.981 -20.297 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.491 33.817 -19.089 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.356 34.914 -19.882 1.00 0.00 H new ATOM 507 N TYR A 33 -15.837 35.613 -17.455 1.00 0.00 N ATOM 508 CA TYR A 33 -16.967 36.020 -16.618 1.00 0.00 C ATOM 509 C TYR A 33 -16.577 36.044 -15.136 1.00 0.00 C ATOM 510 O TYR A 33 -15.822 35.190 -14.670 1.00 0.00 O ATOM 511 CB TYR A 33 -18.180 35.109 -16.826 1.00 0.00 C ATOM 512 CG TYR A 33 -18.755 35.069 -18.223 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.135 34.308 -19.230 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.942 35.765 -18.501 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.721 34.225 -20.505 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.520 35.700 -19.778 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.934 34.894 -20.769 1.00 0.00 C ATOM 518 OH TYR A 33 -20.564 34.746 -21.959 1.00 0.00 O ATOM 0 H TYR A 33 -15.297 34.845 -17.056 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.243 37.029 -16.923 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.899 34.095 -16.542 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.967 35.425 -16.141 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.211 33.789 -19.024 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.413 36.354 -17.728 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.242 33.649 -21.283 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.412 36.267 -19.999 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.241 35.447 -22.060 1.00 0.00 H new ATOM 528 N ARG A 34 -17.102 37.028 -14.400 1.00 0.00 N ATOM 529 CA ARG A 34 -16.827 37.286 -12.981 1.00 0.00 C ATOM 530 C ARG A 34 -18.045 36.965 -12.121 1.00 0.00 C ATOM 531 O ARG A 34 -19.127 37.499 -12.362 1.00 0.00 O ATOM 532 CB ARG A 34 -16.382 38.746 -12.819 1.00 0.00 C ATOM 533 CG ARG A 34 -16.010 39.065 -11.366 1.00 0.00 C ATOM 534 CD ARG A 34 -15.413 40.467 -11.256 1.00 0.00 C ATOM 535 NE ARG A 34 -13.938 40.457 -11.267 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.101 40.774 -10.299 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.484 41.209 -9.130 1.00 0.00 N ATOM 538 NH2 ARG A 34 -11.829 40.660 -10.527 1.00 0.00 N ATOM 0 H ARG A 34 -17.761 37.699 -14.795 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.024 36.634 -12.638 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.526 38.940 -13.465 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.183 39.409 -13.144 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.895 38.991 -10.734 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.294 38.330 -10.999 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.775 41.078 -12.083 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.763 40.936 -10.336 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.506 40.165 -12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.478 41.319 -8.927 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.790 41.439 -8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.501 40.333 -11.436 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.157 40.898 -9.798 1.00 0.00 H new ATOM 552 N THR A 35 -17.854 36.109 -11.123 1.00 0.00 N ATOM 553 CA THR A 35 -18.895 35.639 -10.193 1.00 0.00 C ATOM 554 C THR A 35 -19.192 36.668 -9.103 1.00 0.00 C ATOM 555 O THR A 35 -18.542 37.713 -9.005 1.00 0.00 O ATOM 556 CB THR A 35 -18.511 34.323 -9.510 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.376 34.519 -8.719 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.249 33.189 -10.482 1.00 0.00 C ATOM 0 H THR A 35 -16.939 35.704 -10.925 1.00 0.00 H new ATOM 0 HA THR A 35 -19.782 35.484 -10.807 1.00 0.00 H new ATOM 0 HB THR A 35 -19.367 34.030 -8.903 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.610 34.730 -9.293 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.983 32.289 -9.928 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.146 33.000 -11.071 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.429 33.462 -11.147 1.00 0.00 H new ATOM 566 N ASP A 36 -20.139 36.348 -8.223 1.00 0.00 N ATOM 567 CA ASP A 36 -20.552 37.251 -7.151 1.00 0.00 C ATOM 568 C ASP A 36 -19.516 37.393 -6.019 1.00 0.00 C ATOM 569 O ASP A 36 -19.567 38.378 -5.279 1.00 0.00 O ATOM 570 CB ASP A 36 -21.930 36.812 -6.634 1.00 0.00 C ATOM 571 CG ASP A 36 -22.567 37.849 -5.692 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.893 38.969 -6.157 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.785 37.536 -4.496 1.00 0.00 O ATOM 0 H ASP A 36 -20.640 35.459 -8.233 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.623 38.255 -7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.594 36.640 -7.481 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.831 35.862 -6.109 1.00 0.00 H new ATOM 578 N ASN A 37 -18.530 36.484 -5.915 1.00 0.00 N ATOM 579 CA ASN A 37 -17.407 36.666 -4.978 1.00 0.00 C ATOM 580 C ASN A 37 -16.199 37.399 -5.617 1.00 0.00 C ATOM 581 O ASN A 37 -15.146 37.523 -4.987 1.00 0.00 O ATOM 582 CB ASN A 37 -16.987 35.342 -4.328 1.00 0.00 C ATOM 583 CG ASN A 37 -18.102 34.375 -3.975 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.162 34.726 -3.474 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.865 33.108 -4.209 1.00 0.00 N ATOM 0 H ASN A 37 -18.488 35.624 -6.462 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.776 37.318 -4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.297 34.835 -5.003 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.433 35.570 -3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.566 32.406 -3.973 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.979 32.824 -4.627 1.00 0.00 H new ATOM 592 N GLY A 38 -16.316 37.834 -6.880 1.00 0.00 N ATOM 593 CA GLY A 38 -15.207 38.333 -7.706 1.00 0.00 C ATOM 594 C GLY A 38 -14.361 37.243 -8.362 1.00 0.00 C ATOM 595 O GLY A 38 -13.330 37.552 -8.959 1.00 0.00 O ATOM 0 H GLY A 38 -17.211 37.849 -7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.613 38.977 -8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.560 38.953 -7.086 1.00 0.00 H new ATOM 599 N GLU A 39 -14.762 35.975 -8.252 1.00 0.00 N ATOM 600 CA GLU A 39 -14.021 34.852 -8.840 1.00 0.00 C ATOM 601 C GLU A 39 -14.212 34.890 -10.361 1.00 0.00 C ATOM 602 O GLU A 39 -15.345 34.813 -10.838 1.00 0.00 O ATOM 603 CB GLU A 39 -14.462 33.489 -8.261 1.00 0.00 C ATOM 604 CG GLU A 39 -14.809 33.537 -6.767 1.00 0.00 C ATOM 605 CD GLU A 39 -14.565 32.243 -5.971 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.548 31.539 -6.185 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.392 31.967 -5.066 1.00 0.00 O ATOM 0 H GLU A 39 -15.607 35.696 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.965 34.959 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.330 33.132 -8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.664 32.763 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.230 34.337 -6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.860 33.807 -6.668 1.00 0.00 H new ATOM 614 N GLU A 40 -13.135 35.014 -11.127 1.00 0.00 N ATOM 615 CA GLU A 40 -13.198 35.099 -12.593 1.00 0.00 C ATOM 616 C GLU A 40 -12.815 33.764 -13.249 1.00 0.00 C ATOM 617 O GLU A 40 -11.780 33.169 -12.932 1.00 0.00 O ATOM 618 CB GLU A 40 -12.260 36.191 -13.126 1.00 0.00 C ATOM 619 CG GLU A 40 -12.951 37.552 -13.101 1.00 0.00 C ATOM 620 CD GLU A 40 -12.087 38.654 -13.728 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.542 38.493 -14.840 1.00 0.00 O ATOM 622 OE2 GLU A 40 -11.983 39.751 -13.132 1.00 0.00 O ATOM 0 H GLU A 40 -12.187 35.059 -10.754 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.229 35.345 -12.848 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.354 36.226 -12.522 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.955 35.951 -14.144 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.898 37.486 -13.637 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.186 37.819 -12.071 1.00 0.00 H new ATOM 629 N PHE A 41 -13.642 33.320 -14.199 1.00 0.00 N ATOM 630 CA PHE A 41 -13.457 32.099 -14.992 1.00 0.00 C ATOM 631 C PHE A 41 -13.544 32.378 -16.497 1.00 0.00 C ATOM 632 O PHE A 41 -14.046 33.420 -16.919 1.00 0.00 O ATOM 633 CB PHE A 41 -14.498 31.055 -14.570 1.00 0.00 C ATOM 634 CG PHE A 41 -14.336 30.581 -13.138 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.925 31.288 -12.071 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.551 29.443 -12.871 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.721 30.851 -10.756 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.340 29.017 -11.548 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.921 29.727 -10.487 1.00 0.00 C ATOM 0 H PHE A 41 -14.495 33.821 -14.448 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.456 31.712 -14.799 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.495 31.478 -14.693 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.431 30.196 -15.238 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.530 32.161 -12.266 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.108 28.894 -13.688 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.184 31.384 -9.939 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.733 28.146 -11.349 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.754 29.411 -9.468 1.00 0.00 H new ATOM 649 N GLU A 42 -13.077 31.434 -17.315 1.00 0.00 N ATOM 650 CA GLU A 42 -13.102 31.519 -18.775 1.00 0.00 C ATOM 651 C GLU A 42 -14.085 30.502 -19.363 1.00 0.00 C ATOM 652 O GLU A 42 -14.111 29.335 -18.955 1.00 0.00 O ATOM 653 CB GLU A 42 -11.703 31.316 -19.379 1.00 0.00 C ATOM 654 CG GLU A 42 -10.644 32.309 -18.870 1.00 0.00 C ATOM 655 CD GLU A 42 -9.330 31.672 -18.379 1.00 0.00 C ATOM 656 OE1 GLU A 42 -9.347 30.630 -17.681 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.265 32.279 -18.649 1.00 0.00 O ATOM 0 H GLU A 42 -12.661 30.568 -16.972 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.437 32.523 -19.035 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.369 30.302 -19.159 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.772 31.401 -20.463 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.412 33.010 -19.671 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.075 32.889 -18.054 1.00 0.00 H new ATOM 664 N VAL A 43 -14.870 30.941 -20.345 1.00 0.00 N ATOM 665 CA VAL A 43 -15.872 30.129 -21.052 1.00 0.00 C ATOM 666 C VAL A 43 -15.567 30.107 -22.560 1.00 0.00 C ATOM 667 O VAL A 43 -15.723 31.135 -23.227 1.00 0.00 O ATOM 668 CB VAL A 43 -17.300 30.635 -20.786 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.332 29.705 -21.432 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.614 30.750 -19.288 1.00 0.00 C ATOM 0 H VAL A 43 -14.829 31.902 -20.685 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.815 29.110 -20.668 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.358 31.630 -21.227 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.336 30.080 -21.232 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.166 29.669 -22.509 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.230 28.703 -21.015 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.634 31.111 -19.157 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.512 29.771 -18.819 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.919 31.449 -18.823 1.00 0.00 H new ATOM 680 N PRO A 44 -15.130 28.962 -23.122 1.00 0.00 N ATOM 681 CA PRO A 44 -14.968 28.781 -24.563 1.00 0.00 C ATOM 682 C PRO A 44 -16.325 28.555 -25.259 1.00 0.00 C ATOM 683 O PRO A 44 -17.020 27.570 -24.995 1.00 0.00 O ATOM 684 CB PRO A 44 -14.021 27.584 -24.712 1.00 0.00 C ATOM 685 CG PRO A 44 -14.273 26.751 -23.455 1.00 0.00 C ATOM 686 CD PRO A 44 -14.675 27.781 -22.398 1.00 0.00 C ATOM 0 HA PRO A 44 -14.556 29.667 -25.046 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.236 27.016 -25.617 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.981 27.904 -24.776 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.062 26.016 -23.616 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.381 26.201 -23.156 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.465 27.391 -21.757 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.831 28.023 -21.752 1.00 0.00 H new ATOM 694 N PHE A 45 -16.679 29.447 -26.185 1.00 0.00 N ATOM 695 CA PHE A 45 -17.843 29.337 -27.078 1.00 0.00 C ATOM 696 C PHE A 45 -17.424 28.893 -28.477 1.00 0.00 C ATOM 697 O PHE A 45 -16.442 29.388 -29.019 1.00 0.00 O ATOM 698 CB PHE A 45 -18.566 30.684 -27.168 1.00 0.00 C ATOM 699 CG PHE A 45 -19.376 31.018 -25.937 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.753 31.619 -24.828 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.752 30.726 -25.897 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.510 31.944 -23.694 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.506 31.040 -24.753 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.882 31.650 -23.650 1.00 0.00 C ATOM 0 H PHE A 45 -16.144 30.301 -26.343 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.515 28.586 -26.661 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.831 31.471 -27.334 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.226 30.676 -28.036 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.694 31.829 -24.850 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.229 30.260 -26.746 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.036 32.423 -22.850 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.561 30.813 -24.721 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.458 31.892 -22.769 1.00 0.00 H new ATOM 714 N ALA A 46 -18.199 28.021 -29.107 1.00 0.00 N ATOM 715 CA ALA A 46 -17.884 27.460 -30.422 1.00 0.00 C ATOM 716 C ALA A 46 -18.237 28.425 -31.568 1.00 0.00 C ATOM 717 O ALA A 46 -19.036 29.340 -31.392 1.00 0.00 O ATOM 718 CB ALA A 46 -18.606 26.112 -30.559 1.00 0.00 C ATOM 0 H ALA A 46 -19.076 27.676 -28.718 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.808 27.305 -30.498 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.384 25.677 -31.534 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.266 25.436 -29.774 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.681 26.264 -30.467 1.00 0.00 H new ATOM 724 N ASP A 47 -17.700 28.180 -32.766 1.00 0.00 N ATOM 725 CA ASP A 47 -18.031 28.890 -34.019 1.00 0.00 C ATOM 726 C ASP A 47 -19.550 28.976 -34.311 1.00 0.00 C ATOM 727 O ASP A 47 -20.018 29.910 -34.964 1.00 0.00 O ATOM 728 CB ASP A 47 -17.323 28.131 -35.154 1.00 0.00 C ATOM 729 CG ASP A 47 -17.635 28.691 -36.555 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.100 29.766 -36.912 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.384 28.033 -37.317 1.00 0.00 O ATOM 0 H ASP A 47 -16.995 27.455 -32.902 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.698 29.924 -33.931 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.246 28.167 -34.988 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.616 27.082 -35.117 1.00 0.00 H new ATOM 736 N ASP A 48 -20.328 28.019 -33.795 1.00 0.00 N ATOM 737 CA ASP A 48 -21.792 27.942 -33.923 1.00 0.00 C ATOM 738 C ASP A 48 -22.557 28.838 -32.921 1.00 0.00 C ATOM 739 O ASP A 48 -23.767 29.035 -33.059 1.00 0.00 O ATOM 740 CB ASP A 48 -22.190 26.468 -33.758 1.00 0.00 C ATOM 741 CG ASP A 48 -23.656 26.191 -34.139 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.027 26.396 -35.320 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.431 25.716 -33.272 1.00 0.00 O ATOM 0 H ASP A 48 -19.942 27.245 -33.255 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.073 28.324 -34.904 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.538 25.851 -34.376 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.027 26.168 -32.723 1.00 0.00 H new ATOM 748 N ALA A 49 -21.863 29.380 -31.914 1.00 0.00 N ATOM 749 CA ALA A 49 -22.429 30.138 -30.792 1.00 0.00 C ATOM 750 C ALA A 49 -21.798 31.537 -30.619 1.00 0.00 C ATOM 751 O ALA A 49 -20.675 31.792 -31.055 1.00 0.00 O ATOM 752 CB ALA A 49 -22.285 29.294 -29.518 1.00 0.00 C ATOM 0 H ALA A 49 -20.848 29.299 -31.856 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.481 30.328 -31.002 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.700 29.840 -28.671 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.822 28.354 -29.642 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.230 29.088 -29.335 1.00 0.00 H new ATOM 758 N GLU A 50 -22.516 32.442 -29.943 1.00 0.00 N ATOM 759 CA GLU A 50 -22.073 33.809 -29.623 1.00 0.00 C ATOM 760 C GLU A 50 -22.329 34.165 -28.147 1.00 0.00 C ATOM 761 O GLU A 50 -23.288 33.690 -27.539 1.00 0.00 O ATOM 762 CB GLU A 50 -22.767 34.838 -30.532 1.00 0.00 C ATOM 763 CG GLU A 50 -22.241 34.799 -31.970 1.00 0.00 C ATOM 764 CD GLU A 50 -22.981 35.818 -32.857 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.548 36.995 -32.932 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.004 35.455 -33.488 1.00 0.00 O ATOM 0 H GLU A 50 -23.452 32.239 -29.591 1.00 0.00 H new ATOM 0 HA GLU A 50 -20.998 33.842 -29.799 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.840 34.649 -30.536 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.621 35.837 -30.122 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.173 35.015 -31.976 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.366 33.797 -32.380 1.00 0.00 H new ATOM 773 N ILE A 51 -21.462 35.021 -27.599 1.00 0.00 N ATOM 774 CA ILE A 51 -21.322 35.412 -26.188 1.00 0.00 C ATOM 775 C ILE A 51 -22.555 36.169 -25.658 1.00 0.00 C ATOM 776 O ILE A 51 -22.793 37.319 -26.048 1.00 0.00 O ATOM 777 CB ILE A 51 -20.057 36.276 -25.961 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.817 35.816 -26.764 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.714 36.350 -24.463 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.328 34.395 -26.476 1.00 0.00 C ATOM 0 H ILE A 51 -20.777 35.503 -28.182 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.229 34.480 -25.630 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.312 37.266 -26.339 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.047 35.893 -27.827 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.000 36.509 -26.564 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.822 36.961 -24.324 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.548 36.795 -23.920 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.528 35.346 -24.082 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.456 34.178 -27.093 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.058 34.309 -25.423 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.121 33.684 -26.706 1.00 0.00 H new ATOM 792 N PRO A 52 -23.343 35.557 -24.764 1.00 0.00 N ATOM 793 CA PRO A 52 -24.352 36.246 -23.973 1.00 0.00 C ATOM 794 C PRO A 52 -23.702 37.109 -22.873 1.00 0.00 C ATOM 795 O PRO A 52 -22.637 36.778 -22.347 1.00 0.00 O ATOM 796 CB PRO A 52 -25.216 35.125 -23.397 1.00 0.00 C ATOM 797 CG PRO A 52 -24.244 33.957 -23.246 1.00 0.00 C ATOM 798 CD PRO A 52 -23.206 34.179 -24.340 1.00 0.00 C ATOM 0 HA PRO A 52 -24.945 36.945 -24.563 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.653 35.408 -22.439 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.042 34.874 -24.062 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.784 33.949 -22.258 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.751 33.000 -23.369 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.201 33.987 -23.965 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.371 33.498 -25.175 1.00 0.00 H new ATOM 806 N GLY A 53 -24.373 38.204 -22.500 1.00 0.00 N ATOM 807 CA GLY A 53 -23.954 39.161 -21.460 1.00 0.00 C ATOM 808 C GLY A 53 -23.550 38.540 -20.114 1.00 0.00 C ATOM 809 O GLY A 53 -22.696 39.085 -19.410 1.00 0.00 O ATOM 0 H GLY A 53 -25.261 38.462 -22.930 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.112 39.739 -21.841 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.770 39.863 -21.286 1.00 0.00 H new ATOM 813 N THR A 54 -24.135 37.396 -19.748 1.00 0.00 N ATOM 814 CA THR A 54 -23.739 36.607 -18.575 1.00 0.00 C ATOM 815 C THR A 54 -23.760 35.092 -18.845 1.00 0.00 C ATOM 816 O THR A 54 -24.416 34.624 -19.780 1.00 0.00 O ATOM 817 CB THR A 54 -24.680 36.874 -17.378 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.011 36.525 -17.709 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.765 38.337 -16.952 1.00 0.00 C ATOM 0 H THR A 54 -24.911 36.984 -20.267 1.00 0.00 H new ATOM 0 HA THR A 54 -22.720 36.920 -18.347 1.00 0.00 H new ATOM 0 HB THR A 54 -24.252 36.278 -16.572 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.595 36.698 -16.941 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.447 38.431 -16.107 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.775 38.689 -16.661 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.134 38.937 -17.784 1.00 0.00 H new ATOM 827 N TRP A 55 -23.036 34.315 -18.028 1.00 0.00 N ATOM 828 CA TRP A 55 -22.894 32.857 -18.153 1.00 0.00 C ATOM 829 C TRP A 55 -22.475 32.193 -16.825 1.00 0.00 C ATOM 830 O TRP A 55 -21.757 32.791 -16.024 1.00 0.00 O ATOM 831 CB TRP A 55 -21.861 32.540 -19.241 1.00 0.00 C ATOM 832 CG TRP A 55 -21.835 31.109 -19.683 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.033 30.153 -19.172 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.634 30.440 -20.706 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.230 28.963 -19.837 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.222 29.075 -20.787 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.658 30.852 -21.583 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.791 28.170 -21.697 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.245 29.953 -22.494 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.812 28.615 -22.554 1.00 0.00 C ATOM 0 H TRP A 55 -22.516 34.695 -17.237 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.868 32.450 -18.424 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.062 33.170 -20.108 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.871 32.810 -18.873 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.337 30.299 -18.359 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.708 28.107 -19.650 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.999 31.876 -21.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.449 27.146 -21.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.032 30.292 -23.151 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.264 27.931 -23.258 1.00 0.00 H new ATOM 851 N LEU A 56 -22.907 30.954 -16.565 1.00 0.00 N ATOM 852 CA LEU A 56 -22.570 30.211 -15.344 1.00 0.00 C ATOM 853 C LEU A 56 -21.079 29.815 -15.303 1.00 0.00 C ATOM 854 O LEU A 56 -20.569 29.163 -16.217 1.00 0.00 O ATOM 855 CB LEU A 56 -23.497 28.985 -15.224 1.00 0.00 C ATOM 856 CG LEU A 56 -24.132 28.807 -13.836 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.201 27.716 -13.884 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.104 28.401 -12.784 1.00 0.00 C ATOM 0 H LEU A 56 -23.507 30.432 -17.204 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.731 30.858 -14.482 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.291 29.070 -15.966 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.928 28.088 -15.468 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.564 29.770 -13.563 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.645 27.598 -12.895 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.975 27.996 -14.598 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.746 26.775 -14.193 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.597 28.286 -11.819 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.644 27.455 -13.071 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.336 29.171 -12.710 1.00 0.00 H new ATOM 870 N CYS A 57 -20.382 30.185 -14.231 1.00 0.00 N ATOM 871 CA CYS A 57 -18.957 29.913 -14.034 1.00 0.00 C ATOM 872 C CYS A 57 -18.707 28.572 -13.333 1.00 0.00 C ATOM 873 O CYS A 57 -19.592 28.003 -12.687 1.00 0.00 O ATOM 874 CB CYS A 57 -18.322 31.057 -13.236 1.00 0.00 C ATOM 875 SG CYS A 57 -18.238 32.561 -14.233 1.00 0.00 S ATOM 0 H CYS A 57 -20.802 30.696 -13.454 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.495 29.845 -15.019 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.904 31.245 -12.334 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.320 30.771 -12.915 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.698 33.515 -13.534 1.00 0.00 H new ATOM 881 N ARG A 58 -17.453 28.104 -13.388 1.00 0.00 N ATOM 882 CA ARG A 58 -17.032 26.797 -12.851 1.00 0.00 C ATOM 883 C ARG A 58 -17.097 26.706 -11.315 1.00 0.00 C ATOM 884 O ARG A 58 -17.123 25.604 -10.766 1.00 0.00 O ATOM 885 CB ARG A 58 -15.627 26.426 -13.376 1.00 0.00 C ATOM 886 CG ARG A 58 -15.421 26.691 -14.881 1.00 0.00 C ATOM 887 CD ARG A 58 -14.041 26.225 -15.358 1.00 0.00 C ATOM 888 NE ARG A 58 -13.729 26.758 -16.701 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.713 26.416 -17.473 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.862 25.486 -17.139 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.531 27.020 -18.609 1.00 0.00 N ATOM 0 H ARG A 58 -16.688 28.629 -13.813 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.755 26.067 -13.216 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.882 26.990 -12.815 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.445 25.370 -13.177 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.195 26.176 -15.450 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.534 27.756 -15.081 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.280 26.551 -14.649 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.010 25.136 -15.381 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.365 27.464 -17.071 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.968 24.993 -16.253 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.091 25.252 -17.764 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.172 27.757 -18.903 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.747 26.757 -19.206 1.00 0.00 H new ATOM 905 N ASN A 59 -17.190 27.851 -10.628 1.00 0.00 N ATOM 906 CA ASN A 59 -17.460 27.954 -9.185 1.00 0.00 C ATOM 907 C ASN A 59 -18.903 27.536 -8.801 1.00 0.00 C ATOM 908 O ASN A 59 -19.197 27.256 -7.638 1.00 0.00 O ATOM 909 CB ASN A 59 -17.183 29.418 -8.795 1.00 0.00 C ATOM 910 CG ASN A 59 -17.390 29.795 -7.334 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.199 29.012 -6.413 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.722 31.041 -7.078 1.00 0.00 N ATOM 0 H ASN A 59 -17.076 28.761 -11.073 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.817 27.262 -8.641 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.152 29.651 -9.062 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.822 30.058 -9.404 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.820 31.355 -6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.881 31.694 -7.845 1.00 0.00 H new ATOM 919 N GLY A 60 -19.813 27.479 -9.779 1.00 0.00 N ATOM 920 CA GLY A 60 -21.245 27.218 -9.584 1.00 0.00 C ATOM 921 C GLY A 60 -22.080 28.489 -9.364 1.00 0.00 C ATOM 922 O GLY A 60 -23.239 28.395 -8.958 1.00 0.00 O ATOM 0 H GLY A 60 -19.567 27.617 -10.759 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.630 26.687 -10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.371 26.558 -8.726 1.00 0.00 H new ATOM 926 N MET A 61 -21.503 29.671 -9.626 1.00 0.00 N ATOM 927 CA MET A 61 -22.158 30.978 -9.536 1.00 0.00 C ATOM 928 C MET A 61 -22.319 31.608 -10.927 1.00 0.00 C ATOM 929 O MET A 61 -21.467 31.437 -11.800 1.00 0.00 O ATOM 930 CB MET A 61 -21.348 31.863 -8.572 1.00 0.00 C ATOM 931 CG MET A 61 -22.049 33.176 -8.194 1.00 0.00 C ATOM 932 SD MET A 61 -23.721 33.036 -7.501 1.00 0.00 S ATOM 933 CE MET A 61 -23.342 32.304 -5.883 1.00 0.00 C ATOM 0 H MET A 61 -20.528 29.742 -9.918 1.00 0.00 H new ATOM 0 HA MET A 61 -23.168 30.870 -9.140 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.141 31.298 -7.663 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.386 32.095 -9.029 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.424 33.700 -7.471 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.101 33.803 -9.084 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.267 32.152 -5.327 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.843 31.346 -6.025 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.689 32.974 -5.324 1.00 0.00 H new ATOM 943 N GLU A 62 -23.401 32.355 -11.143 1.00 0.00 N ATOM 944 CA GLU A 62 -23.646 33.090 -12.388 1.00 0.00 C ATOM 945 C GLU A 62 -22.641 34.244 -12.538 1.00 0.00 C ATOM 946 O GLU A 62 -22.670 35.219 -11.782 1.00 0.00 O ATOM 947 CB GLU A 62 -25.106 33.565 -12.446 1.00 0.00 C ATOM 948 CG GLU A 62 -25.452 34.174 -13.812 1.00 0.00 C ATOM 949 CD GLU A 62 -26.945 34.553 -13.881 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.776 33.696 -14.271 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.300 35.709 -13.545 1.00 0.00 O ATOM 0 H GLU A 62 -24.142 32.470 -10.452 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.492 32.425 -13.238 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.770 32.725 -12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.279 34.304 -11.664 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.839 35.059 -13.986 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.216 33.462 -14.603 1.00 0.00 H new ATOM 958 N GLY A 63 -21.721 34.110 -13.494 1.00 0.00 N ATOM 959 CA GLY A 63 -20.732 35.126 -13.833 1.00 0.00 C ATOM 960 C GLY A 63 -21.248 36.150 -14.847 1.00 0.00 C ATOM 961 O GLY A 63 -22.032 35.820 -15.738 1.00 0.00 O ATOM 0 H GLY A 63 -21.644 33.270 -14.067 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.427 35.645 -12.924 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.844 34.640 -14.236 1.00 0.00 H new ATOM 965 N THR A 64 -20.750 37.384 -14.768 1.00 0.00 N ATOM 966 CA THR A 64 -21.016 38.443 -15.758 1.00 0.00 C ATOM 967 C THR A 64 -19.791 38.716 -16.620 1.00 0.00 C ATOM 968 O THR A 64 -18.672 38.709 -16.113 1.00 0.00 O ATOM 969 CB THR A 64 -21.476 39.744 -15.082 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.626 39.498 -14.299 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.830 40.853 -16.080 1.00 0.00 C ATOM 0 H THR A 64 -20.142 37.686 -14.007 1.00 0.00 H new ATOM 0 HA THR A 64 -21.821 38.082 -16.398 1.00 0.00 H new ATOM 0 HB THR A 64 -20.634 40.080 -14.476 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.913 40.331 -13.869 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.147 41.743 -15.537 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.956 41.090 -16.686 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.640 40.515 -16.727 1.00 0.00 H new ATOM 979 N LEU A 65 -20.000 38.949 -17.916 1.00 0.00 N ATOM 980 CA LEU A 65 -18.956 39.164 -18.917 1.00 0.00 C ATOM 981 C LEU A 65 -18.050 40.374 -18.599 1.00 0.00 C ATOM 982 O LEU A 65 -18.534 41.504 -18.491 1.00 0.00 O ATOM 983 CB LEU A 65 -19.677 39.298 -20.273 1.00 0.00 C ATOM 984 CG LEU A 65 -18.769 39.297 -21.512 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.219 37.919 -21.809 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.560 39.766 -22.734 1.00 0.00 C ATOM 0 H LEU A 65 -20.939 38.995 -18.312 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.263 38.322 -18.930 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.390 38.479 -20.367 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.253 40.223 -20.268 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.938 39.970 -21.301 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.582 37.964 -22.693 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.634 37.569 -20.958 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.043 37.230 -21.991 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.911 39.764 -23.610 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.401 39.093 -22.903 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.932 40.776 -22.561 1.00 0.00 H new ATOM 998 N ILE A 66 -16.737 40.138 -18.478 1.00 0.00 N ATOM 999 CA ILE A 66 -15.689 41.152 -18.230 1.00 0.00 C ATOM 1000 C ILE A 66 -14.481 40.977 -19.165 1.00 0.00 C ATOM 1001 O ILE A 66 -14.205 39.882 -19.658 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.216 41.205 -16.751 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.337 40.022 -16.280 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.381 41.422 -15.776 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.918 38.643 -16.487 1.00 0.00 C ATOM 0 H ILE A 66 -16.354 39.196 -18.553 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.165 42.107 -18.450 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.560 42.075 -16.735 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.382 40.074 -16.802 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -14.127 40.151 -15.218 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -16.000 41.452 -14.755 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.877 42.365 -16.006 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.094 40.604 -15.873 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.216 37.894 -16.120 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.857 38.558 -15.941 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.100 38.481 -17.549 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.736 42.060 -19.384 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.436 42.052 -20.073 1.00 0.00 C ATOM 1019 C GLU A 67 -11.272 42.153 -19.066 1.00 0.00 C ATOM 1020 O GLU A 67 -11.417 42.728 -17.984 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.388 43.177 -21.123 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.423 42.958 -22.239 1.00 0.00 C ATOM 1023 CD GLU A 67 -13.360 44.070 -23.305 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -13.940 45.162 -23.083 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -12.768 43.846 -24.389 1.00 0.00 O ATOM 0 H GLU A 67 -14.022 42.991 -19.082 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.320 41.101 -20.594 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.573 44.135 -20.638 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.390 43.227 -21.557 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.249 41.991 -22.712 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.423 42.926 -21.806 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.114 41.574 -19.399 1.00 0.00 N ATOM 1033 CA GLY A 68 -8.885 41.657 -18.589 1.00 0.00 C ATOM 1034 C GLY A 68 -8.044 42.925 -18.807 1.00 0.00 C ATOM 1035 O GLY A 68 -7.235 43.285 -17.950 1.00 0.00 O ATOM 0 H GLY A 68 -9.998 41.025 -20.251 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.158 41.598 -17.535 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.265 40.787 -18.807 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.233 43.606 -19.941 1.00 0.00 N ATOM 1040 CA ASP A 69 -7.449 44.740 -20.429 1.00 0.00 C ATOM 1041 C ASP A 69 -8.320 46.004 -20.623 1.00 0.00 C ATOM 1042 O ASP A 69 -9.383 46.151 -20.014 1.00 0.00 O ATOM 1043 CB ASP A 69 -6.689 44.296 -21.695 1.00 0.00 C ATOM 1044 CG ASP A 69 -7.594 44.084 -22.924 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -8.478 43.194 -22.886 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -7.395 44.792 -23.940 1.00 0.00 O ATOM 0 H ASP A 69 -8.987 43.362 -20.583 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.712 45.040 -19.684 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.935 45.046 -21.936 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.159 43.368 -21.482 1.00 0.00 H new ATOM 1051 N LEU A 70 -7.837 46.951 -21.429 1.00 0.00 N ATOM 1052 CA LEU A 70 -8.447 48.269 -21.657 1.00 0.00 C ATOM 1053 C LEU A 70 -9.918 48.169 -22.137 1.00 0.00 C ATOM 1054 O LEU A 70 -10.237 47.260 -22.914 1.00 0.00 O ATOM 1055 CB LEU A 70 -7.598 49.082 -22.657 1.00 0.00 C ATOM 1056 CG LEU A 70 -6.368 49.792 -22.054 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -5.282 48.830 -21.564 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -5.738 50.704 -23.106 1.00 0.00 C ATOM 0 H LEU A 70 -6.978 46.819 -21.963 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.467 48.788 -20.699 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.259 48.413 -23.448 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.236 49.832 -23.125 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.736 50.350 -21.193 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.449 49.400 -21.153 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.693 48.180 -20.791 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.930 48.223 -22.398 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.869 51.205 -22.680 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.428 50.109 -23.965 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.467 51.449 -23.425 1.00 0.00 H new ATOM 1070 N PRO A 71 -10.813 49.098 -21.724 1.00 0.00 N ATOM 1071 CA PRO A 71 -10.521 50.343 -20.988 1.00 0.00 C ATOM 1072 C PRO A 71 -10.217 50.204 -19.484 1.00 0.00 C ATOM 1073 O PRO A 71 -9.794 51.178 -18.861 1.00 0.00 O ATOM 1074 CB PRO A 71 -11.753 51.241 -21.192 1.00 0.00 C ATOM 1075 CG PRO A 71 -12.450 50.659 -22.418 1.00 0.00 C ATOM 1076 CD PRO A 71 -12.169 49.171 -22.252 1.00 0.00 C ATOM 0 HA PRO A 71 -9.592 50.749 -21.388 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.405 51.224 -20.319 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.465 52.280 -21.355 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.518 50.876 -22.424 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.040 51.052 -23.348 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.883 48.709 -21.570 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.250 48.646 -23.204 1.00 0.00 H new ATOM 1084 N GLU A 72 -10.417 49.023 -18.887 1.00 0.00 N ATOM 1085 CA GLU A 72 -10.302 48.778 -17.438 1.00 0.00 C ATOM 1086 C GLU A 72 -9.353 47.596 -17.117 1.00 0.00 C ATOM 1087 O GLU A 72 -9.810 46.537 -16.670 1.00 0.00 O ATOM 1088 CB GLU A 72 -11.708 48.586 -16.832 1.00 0.00 C ATOM 1089 CG GLU A 72 -12.611 49.812 -17.023 1.00 0.00 C ATOM 1090 CD GLU A 72 -13.906 49.683 -16.198 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -14.907 49.123 -16.710 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -13.939 50.149 -15.033 1.00 0.00 O ATOM 0 H GLU A 72 -10.671 48.185 -19.411 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.845 49.652 -16.974 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.181 47.717 -17.291 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.614 48.372 -15.767 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.074 50.712 -16.724 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.859 49.924 -18.079 1.00 0.00 H new ATOM 1099 N PRO A 73 -8.029 47.741 -17.346 1.00 0.00 N ATOM 1100 CA PRO A 73 -7.056 46.673 -17.120 1.00 0.00 C ATOM 1101 C PRO A 73 -6.914 46.304 -15.635 1.00 0.00 C ATOM 1102 O PRO A 73 -6.964 47.170 -14.754 1.00 0.00 O ATOM 1103 CB PRO A 73 -5.737 47.183 -17.707 1.00 0.00 C ATOM 1104 CG PRO A 73 -5.856 48.700 -17.560 1.00 0.00 C ATOM 1105 CD PRO A 73 -7.346 48.947 -17.795 1.00 0.00 C ATOM 0 HA PRO A 73 -7.380 45.750 -17.600 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.876 46.792 -17.165 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.618 46.887 -18.749 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.541 49.037 -16.572 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.239 49.227 -18.288 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.689 49.820 -17.239 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.548 49.140 -18.849 1.00 0.00 H new ATOM 1113 N LYS A 74 -6.705 45.010 -15.361 1.00 0.00 N ATOM 1114 CA LYS A 74 -6.582 44.440 -14.004 1.00 0.00 C ATOM 1115 C LYS A 74 -5.646 43.224 -13.958 1.00 0.00 C ATOM 1116 O LYS A 74 -5.587 42.435 -14.901 1.00 0.00 O ATOM 1117 CB LYS A 74 -7.980 44.130 -13.425 1.00 0.00 C ATOM 1118 CG LYS A 74 -8.914 43.352 -14.372 1.00 0.00 C ATOM 1119 CD LYS A 74 -10.289 43.112 -13.726 1.00 0.00 C ATOM 1120 CE LYS A 74 -11.316 42.651 -14.765 1.00 0.00 C ATOM 1121 NZ LYS A 74 -11.024 41.292 -15.282 1.00 0.00 N ATOM 0 H LYS A 74 -6.614 44.307 -16.094 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.113 45.191 -13.368 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.858 43.557 -12.506 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.462 45.069 -13.153 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.038 43.908 -15.301 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.459 42.396 -14.631 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.199 42.361 -12.941 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.636 44.030 -13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.310 42.661 -14.319 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.332 43.357 -15.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.662 41.078 -16.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.038 41.250 -15.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.168 40.594 -14.524 1.00 0.00 H new ATOM 1135 N LYS A 75 -4.927 43.062 -12.840 1.00 0.00 N ATOM 1136 CA LYS A 75 -3.865 42.051 -12.626 1.00 0.00 C ATOM 1137 C LYS A 75 -4.424 40.681 -12.199 1.00 0.00 C ATOM 1138 O LYS A 75 -4.037 40.121 -11.170 1.00 0.00 O ATOM 1139 CB LYS A 75 -2.797 42.607 -11.661 1.00 0.00 C ATOM 1140 CG LYS A 75 -2.083 43.851 -12.215 1.00 0.00 C ATOM 1141 CD LYS A 75 -0.989 44.330 -11.248 1.00 0.00 C ATOM 1142 CE LYS A 75 -0.298 45.617 -11.726 1.00 0.00 C ATOM 1143 NZ LYS A 75 0.546 45.398 -12.931 1.00 0.00 N ATOM 0 H LYS A 75 -5.070 43.653 -12.021 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.377 41.858 -13.581 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.268 42.857 -10.710 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.059 41.831 -11.457 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.642 43.621 -13.185 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.807 44.650 -12.376 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.428 44.502 -10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.243 43.544 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.054 46.370 -11.948 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.320 46.014 -10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.989 46.296 -13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.286 44.700 -12.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.046 45.045 -13.710 1.00 0.00 H new ATOM 1157 N VAL A 76 -5.371 40.158 -12.978 1.00 0.00 N ATOM 1158 CA VAL A 76 -6.015 38.846 -12.767 1.00 0.00 C ATOM 1159 C VAL A 76 -5.129 37.676 -13.228 1.00 0.00 C ATOM 1160 O VAL A 76 -4.154 37.870 -13.959 1.00 0.00 O ATOM 1161 CB VAL A 76 -7.412 38.788 -13.421 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -8.356 39.786 -12.742 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -7.397 39.058 -14.932 1.00 0.00 C ATOM 0 H VAL A 76 -5.727 40.645 -13.801 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.148 38.734 -11.691 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.765 37.766 -13.282 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.338 39.736 -13.212 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.447 39.539 -11.684 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.955 40.794 -12.846 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.413 39.001 -15.322 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.992 40.052 -15.120 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.775 38.313 -15.429 1.00 0.00 H new ATOM 1173 N LYS A 77 -5.473 36.453 -12.801 1.00 0.00 N ATOM 1174 CA LYS A 77 -4.800 35.197 -13.180 1.00 0.00 C ATOM 1175 C LYS A 77 -5.653 34.393 -14.189 1.00 0.00 C ATOM 1176 O LYS A 77 -6.853 34.237 -13.942 1.00 0.00 O ATOM 1177 CB LYS A 77 -4.493 34.394 -11.901 1.00 0.00 C ATOM 1178 CG LYS A 77 -3.618 33.159 -12.165 1.00 0.00 C ATOM 1179 CD LYS A 77 -3.316 32.410 -10.860 1.00 0.00 C ATOM 1180 CE LYS A 77 -2.440 31.183 -11.147 1.00 0.00 C ATOM 1181 NZ LYS A 77 -2.129 30.430 -9.902 1.00 0.00 N ATOM 0 H LYS A 77 -6.253 36.303 -12.161 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.860 35.417 -13.685 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.990 35.042 -11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.430 34.078 -11.443 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.125 32.492 -12.862 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.684 33.465 -12.638 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.808 33.073 -10.160 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.247 32.099 -10.386 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.951 30.527 -11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.512 31.501 -11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.536 29.608 -10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.620 31.049 -9.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.014 30.106 -9.462 1.00 0.00 H new ATOM 1195 N PRO A 78 -5.074 33.848 -15.280 1.00 0.00 N ATOM 1196 CA PRO A 78 -3.701 34.064 -15.752 1.00 0.00 C ATOM 1197 C PRO A 78 -3.487 35.494 -16.310 1.00 0.00 C ATOM 1198 O PRO A 78 -4.467 36.163 -16.655 1.00 0.00 O ATOM 1199 CB PRO A 78 -3.479 32.994 -16.826 1.00 0.00 C ATOM 1200 CG PRO A 78 -4.872 32.812 -17.424 1.00 0.00 C ATOM 1201 CD PRO A 78 -5.788 32.985 -16.213 1.00 0.00 C ATOM 0 HA PRO A 78 -2.982 33.979 -14.937 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.757 33.319 -17.576 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.099 32.066 -16.399 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.080 33.552 -18.197 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.990 31.830 -17.883 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.739 33.431 -16.505 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.015 32.022 -15.756 1.00 0.00 H new ATOM 1209 N PRO A 79 -2.230 35.976 -16.435 1.00 0.00 N ATOM 1210 CA PRO A 79 -1.929 37.360 -16.838 1.00 0.00 C ATOM 1211 C PRO A 79 -2.342 37.753 -18.270 1.00 0.00 C ATOM 1212 O PRO A 79 -2.373 38.947 -18.586 1.00 0.00 O ATOM 1213 CB PRO A 79 -0.414 37.520 -16.659 1.00 0.00 C ATOM 1214 CG PRO A 79 -0.057 36.468 -15.616 1.00 0.00 C ATOM 1215 CD PRO A 79 -1.006 35.329 -15.973 1.00 0.00 C ATOM 0 HA PRO A 79 -2.523 38.030 -16.217 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.119 37.352 -17.595 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -0.155 38.523 -16.320 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.988 36.165 -15.684 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.218 36.830 -14.600 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.581 34.692 -16.749 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.199 34.693 -15.109 1.00 0.00 H new ATOM 1223 N ARG A 80 -2.634 36.772 -19.138 1.00 0.00 N ATOM 1224 CA ARG A 80 -3.063 36.947 -20.539 1.00 0.00 C ATOM 1225 C ARG A 80 -4.479 36.411 -20.752 1.00 0.00 C ATOM 1226 O ARG A 80 -5.363 37.204 -21.139 1.00 0.00 O ATOM 1227 CB ARG A 80 -2.051 36.291 -21.497 1.00 0.00 C ATOM 1228 CG ARG A 80 -0.673 36.971 -21.463 1.00 0.00 C ATOM 1229 CD ARG A 80 0.280 36.325 -22.478 1.00 0.00 C ATOM 1230 NE ARG A 80 1.615 36.953 -22.453 1.00 0.00 N ATOM 1231 CZ ARG A 80 2.015 38.014 -23.129 1.00 0.00 C ATOM 1232 NH1 ARG A 80 1.228 38.669 -23.935 1.00 0.00 N ATOM 1233 NH2 ARG A 80 3.236 38.447 -23.003 1.00 0.00 N ATOM 1234 OXT ARG A 80 -4.726 35.214 -20.487 1.00 0.00 O ATOM 0 H ARG A 80 -2.576 35.789 -18.872 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.089 38.013 -20.763 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -1.939 35.239 -21.235 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -2.444 36.326 -22.513 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.781 38.033 -21.684 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.250 36.895 -20.461 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.375 35.261 -22.261 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.143 36.410 -23.479 1.00 0.00 H new ATOM 0 HE ARG A 80 2.308 36.518 -21.844 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.262 38.366 -24.062 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.578 39.484 -24.438 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.886 37.966 -22.381 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.543 39.267 -23.526 1.00 0.00 H new TER 1248 ARG A 80