USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 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 Set 1.1: A 37 ASN : amide:sc= 0.911 K(o=0.78,f=-0.0043) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.136 X(o=0.78,f=1) USER MOD Single : A 1 SER N :NH3+ -162:sc= 1.38 (180deg=1.16) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00287 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 180:sc= 0.0416 USER MOD Single : A 17 TYR OH : rot 180:sc= 0.037 USER MOD Single : A 19 THR OG1 : rot -60:sc= 0.117 USER MOD Single : A 22 ASN : amide:sc= 0.556 K(o=0.56,f=-0.52) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.403 X(o=0.4,f=0) USER MOD Single : A 33 TYR OH : rot 20:sc= 0.235 USER MOD Single : A 35 THR OG1 : rot -65:sc= 0.186 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.56 USER MOD Single : A 61 MET CE :methyl 175:sc= 0 (180deg=-0.0372) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 1.15 (180deg=1.11) 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 -4.757 11.814 -12.441 1.00 0.00 N ATOM 2 CA SER A 1 -3.877 11.078 -11.508 1.00 0.00 C ATOM 3 C SER A 1 -4.696 10.273 -10.493 1.00 0.00 C ATOM 4 O SER A 1 -5.819 10.651 -10.156 1.00 0.00 O ATOM 5 CB SER A 1 -2.903 12.032 -10.807 1.00 0.00 C ATOM 6 OG SER A 1 -3.607 13.107 -10.206 1.00 0.00 O ATOM 0 H1 SER A 1 -4.214 12.095 -13.282 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.548 11.203 -12.728 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.129 12.663 -11.970 1.00 0.00 H new ATOM 0 HA SER A 1 -3.288 10.369 -12.090 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.337 11.491 -10.049 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.182 12.419 -11.527 1.00 0.00 H new ATOM 0 HG SER A 1 -2.972 13.706 -9.761 1.00 0.00 H new ATOM 14 N MET A 2 -4.214 9.128 -9.988 1.00 0.00 N ATOM 15 CA MET A 2 -2.934 8.464 -10.314 1.00 0.00 C ATOM 16 C MET A 2 -2.902 7.896 -11.747 1.00 0.00 C ATOM 17 O MET A 2 -1.855 7.928 -12.395 1.00 0.00 O ATOM 18 CB MET A 2 -2.664 7.340 -9.299 1.00 0.00 C ATOM 19 CG MET A 2 -2.448 7.873 -7.877 1.00 0.00 C ATOM 20 SD MET A 2 -2.080 6.581 -6.658 1.00 0.00 S ATOM 21 CE MET A 2 -1.900 7.610 -5.175 1.00 0.00 C ATOM 0 H MET A 2 -4.742 8.601 -9.292 1.00 0.00 H new ATOM 0 HA MET A 2 -2.153 9.222 -10.257 1.00 0.00 H new ATOM 0 HB2 MET A 2 -3.504 6.645 -9.299 1.00 0.00 H new ATOM 0 HB3 MET A 2 -1.784 6.777 -9.610 1.00 0.00 H new ATOM 0 HG2 MET A 2 -1.629 8.592 -7.889 1.00 0.00 H new ATOM 0 HG3 MET A 2 -3.341 8.413 -7.562 1.00 0.00 H new ATOM 0 HE1 MET A 2 -1.670 6.977 -4.318 1.00 0.00 H new ATOM 0 HE2 MET A 2 -1.092 8.326 -5.325 1.00 0.00 H new ATOM 0 HE3 MET A 2 -2.830 8.147 -4.990 1.00 0.00 H new ATOM 31 N ALA A 3 -4.058 7.482 -12.273 1.00 0.00 N ATOM 32 CA ALA A 3 -4.290 7.280 -13.706 1.00 0.00 C ATOM 33 C ALA A 3 -4.806 8.576 -14.359 1.00 0.00 C ATOM 34 O ALA A 3 -5.566 9.325 -13.740 1.00 0.00 O ATOM 35 CB ALA A 3 -5.265 6.109 -13.892 1.00 0.00 C ATOM 0 H ALA A 3 -4.877 7.273 -11.702 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.354 7.030 -14.205 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.444 5.950 -14.955 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.836 5.206 -13.458 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.208 6.338 -13.395 1.00 0.00 H new ATOM 41 N ASP A 4 -4.409 8.846 -15.607 1.00 0.00 N ATOM 42 CA ASP A 4 -4.826 10.039 -16.370 1.00 0.00 C ATOM 43 C ASP A 4 -5.828 9.735 -17.502 1.00 0.00 C ATOM 44 O ASP A 4 -6.407 10.660 -18.074 1.00 0.00 O ATOM 45 CB ASP A 4 -3.583 10.786 -16.881 1.00 0.00 C ATOM 46 CG ASP A 4 -2.706 11.318 -15.734 1.00 0.00 C ATOM 47 OD1 ASP A 4 -3.245 11.967 -14.804 1.00 0.00 O ATOM 48 OD2 ASP A 4 -1.473 11.093 -15.760 1.00 0.00 O ATOM 0 H ASP A 4 -3.779 8.236 -16.128 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.375 10.686 -15.686 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.992 10.117 -17.506 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.896 11.618 -17.511 1.00 0.00 H new ATOM 53 N ARG A 5 -6.075 8.445 -17.794 1.00 0.00 N ATOM 54 CA ARG A 5 -7.182 7.922 -18.632 1.00 0.00 C ATOM 55 C ARG A 5 -7.311 8.553 -20.030 1.00 0.00 C ATOM 56 O ARG A 5 -8.400 8.629 -20.596 1.00 0.00 O ATOM 57 CB ARG A 5 -8.500 7.984 -17.836 1.00 0.00 C ATOM 58 CG ARG A 5 -8.446 7.250 -16.485 1.00 0.00 C ATOM 59 CD ARG A 5 -9.788 7.369 -15.751 1.00 0.00 C ATOM 60 NE ARG A 5 -9.768 6.658 -14.456 1.00 0.00 N ATOM 61 CZ ARG A 5 -9.300 7.101 -13.301 1.00 0.00 C ATOM 62 NH1 ARG A 5 -8.739 8.270 -13.175 1.00 0.00 N ATOM 63 NH2 ARG A 5 -9.385 6.361 -12.232 1.00 0.00 N ATOM 0 H ARG A 5 -5.481 7.697 -17.436 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.933 6.885 -18.856 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.759 9.028 -17.661 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.299 7.554 -18.440 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.205 6.199 -16.645 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.650 7.669 -15.869 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.020 8.421 -15.585 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.582 6.963 -16.377 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.161 5.717 -14.452 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.648 8.882 -13.986 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.391 8.573 -12.265 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.813 5.437 -12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.023 6.706 -11.343 1.00 0.00 H new ATOM 77 N VAL A 6 -6.200 9.043 -20.582 1.00 0.00 N ATOM 78 CA VAL A 6 -6.123 9.818 -21.841 1.00 0.00 C ATOM 79 C VAL A 6 -7.107 11.012 -21.849 1.00 0.00 C ATOM 80 O VAL A 6 -7.701 11.361 -22.870 1.00 0.00 O ATOM 81 CB VAL A 6 -6.213 8.903 -23.091 1.00 0.00 C ATOM 82 CG1 VAL A 6 -5.601 9.568 -24.336 1.00 0.00 C ATOM 83 CG2 VAL A 6 -5.458 7.573 -22.917 1.00 0.00 C ATOM 0 H VAL A 6 -5.285 8.910 -20.152 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.133 10.271 -21.894 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.281 8.725 -23.214 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.685 8.893 -25.188 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.134 10.494 -24.553 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.550 9.789 -24.151 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.558 6.977 -23.824 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.403 7.775 -22.730 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.878 7.024 -22.074 1.00 0.00 H new ATOM 93 N LEU A 7 -7.306 11.629 -20.675 1.00 0.00 N ATOM 94 CA LEU A 7 -8.198 12.771 -20.416 1.00 0.00 C ATOM 95 C LEU A 7 -9.684 12.539 -20.793 1.00 0.00 C ATOM 96 O LEU A 7 -10.414 13.497 -21.068 1.00 0.00 O ATOM 97 CB LEU A 7 -7.596 14.070 -21.003 1.00 0.00 C ATOM 98 CG LEU A 7 -6.124 14.356 -20.640 1.00 0.00 C ATOM 99 CD1 LEU A 7 -5.674 15.661 -21.298 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.895 14.470 -19.131 1.00 0.00 C ATOM 0 H LEU A 7 -6.820 11.327 -19.830 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.248 12.888 -19.333 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.680 14.028 -22.089 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.202 14.912 -20.669 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.542 13.510 -21.005 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.634 15.859 -21.039 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.768 15.574 -22.380 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.299 16.481 -20.944 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.841 14.672 -18.937 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.500 15.284 -18.732 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.181 13.535 -18.648 1.00 0.00 H new ATOM 112 N ARG A 8 -10.144 11.277 -20.800 1.00 0.00 N ATOM 113 CA ARG A 8 -11.526 10.865 -21.125 1.00 0.00 C ATOM 114 C ARG A 8 -12.072 9.793 -20.170 1.00 0.00 C ATOM 115 O ARG A 8 -11.312 9.101 -19.492 1.00 0.00 O ATOM 116 CB ARG A 8 -11.620 10.443 -22.603 1.00 0.00 C ATOM 117 CG ARG A 8 -10.762 9.216 -22.957 1.00 0.00 C ATOM 118 CD ARG A 8 -10.846 8.860 -24.445 1.00 0.00 C ATOM 119 NE ARG A 8 -12.186 8.367 -24.832 1.00 0.00 N ATOM 120 CZ ARG A 8 -13.102 8.988 -25.556 1.00 0.00 C ATOM 121 NH1 ARG A 8 -12.925 10.190 -26.030 1.00 0.00 N ATOM 122 NH2 ARG A 8 -14.236 8.405 -25.819 1.00 0.00 N ATOM 0 H ARG A 8 -9.544 10.484 -20.572 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.173 11.730 -20.978 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.661 10.228 -22.844 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -11.315 11.281 -23.230 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.723 9.412 -22.690 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.088 8.363 -22.362 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.599 9.739 -25.041 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.101 8.099 -24.676 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.434 7.435 -24.500 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.054 10.687 -25.847 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.658 10.633 -26.584 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.421 7.466 -25.466 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.940 8.887 -26.378 1.00 0.00 H new ATOM 136 N GLY A 9 -13.397 9.656 -20.114 1.00 0.00 N ATOM 137 CA GLY A 9 -14.092 8.661 -19.286 1.00 0.00 C ATOM 138 C GLY A 9 -15.605 8.888 -19.195 1.00 0.00 C ATOM 139 O GLY A 9 -16.109 9.956 -19.558 1.00 0.00 O ATOM 0 H GLY A 9 -14.033 10.244 -20.653 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.906 7.667 -19.694 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.669 8.678 -18.281 1.00 0.00 H new ATOM 143 N SER A 10 -16.335 7.888 -18.696 1.00 0.00 N ATOM 144 CA SER A 10 -17.798 7.934 -18.530 1.00 0.00 C ATOM 145 C SER A 10 -18.226 9.098 -17.626 1.00 0.00 C ATOM 146 O SER A 10 -17.750 9.216 -16.494 1.00 0.00 O ATOM 147 CB SER A 10 -18.317 6.612 -17.950 1.00 0.00 C ATOM 148 OG SER A 10 -17.957 5.526 -18.793 1.00 0.00 O ATOM 0 H SER A 10 -15.923 7.007 -18.389 1.00 0.00 H new ATOM 0 HA SER A 10 -18.232 8.089 -19.517 1.00 0.00 H new ATOM 0 HB2 SER A 10 -17.905 6.459 -16.953 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.401 6.655 -17.844 1.00 0.00 H new ATOM 0 HG SER A 10 -18.293 4.689 -18.410 1.00 0.00 H new ATOM 154 N ARG A 11 -19.108 9.969 -18.143 1.00 0.00 N ATOM 155 CA ARG A 11 -19.600 11.224 -17.525 1.00 0.00 C ATOM 156 C ARG A 11 -18.522 12.143 -16.907 1.00 0.00 C ATOM 157 O ARG A 11 -18.812 12.906 -15.984 1.00 0.00 O ATOM 158 CB ARG A 11 -20.826 10.963 -16.621 1.00 0.00 C ATOM 159 CG ARG A 11 -20.540 10.148 -15.345 1.00 0.00 C ATOM 160 CD ARG A 11 -21.748 10.107 -14.400 1.00 0.00 C ATOM 161 NE ARG A 11 -22.014 11.426 -13.786 1.00 0.00 N ATOM 162 CZ ARG A 11 -23.026 11.739 -12.997 1.00 0.00 C ATOM 163 NH1 ARG A 11 -23.942 10.873 -12.663 1.00 0.00 N ATOM 164 NH2 ARG A 11 -23.141 12.948 -12.523 1.00 0.00 N ATOM 0 H ARG A 11 -19.526 9.811 -19.060 1.00 0.00 H new ATOM 0 HA ARG A 11 -19.945 11.839 -18.356 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -21.254 11.923 -16.331 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -21.583 10.439 -17.205 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.262 9.131 -15.621 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.687 10.581 -14.823 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -22.629 9.779 -14.952 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -21.571 9.371 -13.616 1.00 0.00 H new ATOM 0 HE ARG A 11 -21.348 12.170 -13.993 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -23.892 9.916 -13.014 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -24.709 11.152 -12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -22.448 13.657 -12.761 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -23.924 13.185 -11.914 1.00 0.00 H new ATOM 178 N LEU A 12 -17.287 12.096 -17.422 1.00 0.00 N ATOM 179 CA LEU A 12 -16.150 12.886 -16.923 1.00 0.00 C ATOM 180 C LEU A 12 -16.231 14.379 -17.312 1.00 0.00 C ATOM 181 O LEU A 12 -15.671 15.232 -16.619 1.00 0.00 O ATOM 182 CB LEU A 12 -14.851 12.230 -17.438 1.00 0.00 C ATOM 183 CG LEU A 12 -13.537 12.830 -16.893 1.00 0.00 C ATOM 184 CD1 LEU A 12 -13.409 12.674 -15.375 1.00 0.00 C ATOM 185 CD2 LEU A 12 -12.343 12.130 -17.541 1.00 0.00 C ATOM 0 H LEU A 12 -17.044 11.498 -18.211 1.00 0.00 H new ATOM 0 HA LEU A 12 -16.169 12.881 -15.833 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.877 11.170 -17.187 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.837 12.299 -18.526 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.552 13.893 -17.133 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.468 13.112 -15.042 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -14.239 13.183 -14.886 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.428 11.616 -15.115 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.417 12.556 -17.154 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.376 11.065 -17.311 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.382 12.269 -18.621 1.00 0.00 H new ATOM 197 N GLY A 13 -16.932 14.705 -18.404 1.00 0.00 N ATOM 198 CA GLY A 13 -16.982 16.056 -18.973 1.00 0.00 C ATOM 199 C GLY A 13 -15.680 16.444 -19.688 1.00 0.00 C ATOM 200 O GLY A 13 -15.017 15.595 -20.292 1.00 0.00 O ATOM 0 H GLY A 13 -17.489 14.027 -18.925 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -17.812 16.119 -19.677 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.183 16.774 -18.178 1.00 0.00 H new ATOM 204 N ALA A 14 -15.317 17.728 -19.624 1.00 0.00 N ATOM 205 CA ALA A 14 -14.112 18.295 -20.237 1.00 0.00 C ATOM 206 C ALA A 14 -13.376 19.266 -19.291 1.00 0.00 C ATOM 207 O ALA A 14 -13.951 19.779 -18.325 1.00 0.00 O ATOM 208 CB ALA A 14 -14.510 18.977 -21.555 1.00 0.00 C ATOM 0 H ALA A 14 -15.872 18.425 -19.128 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.405 17.491 -20.440 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.625 19.405 -22.025 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.957 18.242 -22.224 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.231 19.769 -21.352 1.00 0.00 H new ATOM 214 N VAL A 15 -12.100 19.533 -19.590 1.00 0.00 N ATOM 215 CA VAL A 15 -11.202 20.439 -18.845 1.00 0.00 C ATOM 216 C VAL A 15 -11.142 20.127 -17.351 1.00 0.00 C ATOM 217 O VAL A 15 -11.391 20.954 -16.473 1.00 0.00 O ATOM 218 CB VAL A 15 -11.437 21.930 -19.192 1.00 0.00 C ATOM 219 CG1 VAL A 15 -10.241 22.797 -18.774 1.00 0.00 C ATOM 220 CG2 VAL A 15 -11.631 22.158 -20.699 1.00 0.00 C ATOM 0 H VAL A 15 -11.639 19.107 -20.394 1.00 0.00 H new ATOM 0 HA VAL A 15 -10.190 20.235 -19.196 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.339 22.210 -18.649 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.438 23.838 -19.032 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.089 22.712 -17.698 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.346 22.458 -19.295 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.792 23.219 -20.889 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.742 21.824 -21.235 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.496 21.592 -21.044 1.00 0.00 H new ATOM 230 N SER A 16 -10.738 18.891 -17.084 1.00 0.00 N ATOM 231 CA SER A 16 -10.187 18.410 -15.814 1.00 0.00 C ATOM 232 C SER A 16 -8.657 18.615 -15.708 1.00 0.00 C ATOM 233 O SER A 16 -7.989 18.029 -14.851 1.00 0.00 O ATOM 234 CB SER A 16 -10.575 16.938 -15.666 1.00 0.00 C ATOM 235 OG SER A 16 -10.293 16.193 -16.845 1.00 0.00 O ATOM 0 H SER A 16 -10.787 18.152 -17.785 1.00 0.00 H new ATOM 0 HA SER A 16 -10.606 18.995 -14.996 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.036 16.503 -14.824 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.638 16.864 -15.436 1.00 0.00 H new ATOM 0 HG SER A 16 -10.553 15.258 -16.711 1.00 0.00 H new ATOM 241 N TYR A 17 -8.093 19.429 -16.604 1.00 0.00 N ATOM 242 CA TYR A 17 -6.668 19.571 -16.916 1.00 0.00 C ATOM 243 C TYR A 17 -6.316 21.025 -17.281 1.00 0.00 C ATOM 244 O TYR A 17 -7.192 21.830 -17.604 1.00 0.00 O ATOM 245 CB TYR A 17 -6.322 18.608 -18.070 1.00 0.00 C ATOM 246 CG TYR A 17 -7.337 18.581 -19.205 1.00 0.00 C ATOM 247 CD1 TYR A 17 -7.314 19.562 -20.218 1.00 0.00 C ATOM 248 CD2 TYR A 17 -8.342 17.593 -19.217 1.00 0.00 C ATOM 249 CE1 TYR A 17 -8.296 19.557 -21.229 1.00 0.00 C ATOM 250 CE2 TYR A 17 -9.330 17.591 -20.218 1.00 0.00 C ATOM 251 CZ TYR A 17 -9.311 18.575 -21.229 1.00 0.00 C ATOM 252 OH TYR A 17 -10.301 18.596 -22.162 1.00 0.00 O ATOM 0 H TYR A 17 -8.664 20.053 -17.174 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.077 19.317 -16.036 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.350 18.886 -18.477 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.222 17.600 -17.666 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.543 20.318 -20.219 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.354 16.831 -18.451 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.272 20.307 -22.006 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.103 16.837 -20.213 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.911 17.844 -22.009 1.00 0.00 H new ATOM 262 N GLU A 18 -5.028 21.370 -17.240 1.00 0.00 N ATOM 263 CA GLU A 18 -4.523 22.707 -17.585 1.00 0.00 C ATOM 264 C GLU A 18 -4.205 22.804 -19.089 1.00 0.00 C ATOM 265 O GLU A 18 -3.147 22.364 -19.547 1.00 0.00 O ATOM 266 CB GLU A 18 -3.297 23.053 -16.720 1.00 0.00 C ATOM 267 CG GLU A 18 -3.648 23.181 -15.230 1.00 0.00 C ATOM 268 CD GLU A 18 -2.413 23.588 -14.404 1.00 0.00 C ATOM 269 OE1 GLU A 18 -1.667 22.693 -13.932 1.00 0.00 O ATOM 270 OE2 GLU A 18 -2.181 24.806 -14.207 1.00 0.00 O ATOM 0 H GLU A 18 -4.292 20.721 -16.962 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.301 23.441 -17.373 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.537 22.282 -16.846 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.862 23.989 -17.070 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.436 23.922 -15.101 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.039 22.232 -14.862 1.00 0.00 H new ATOM 277 N THR A 19 -5.118 23.391 -19.867 1.00 0.00 N ATOM 278 CA THR A 19 -5.041 23.521 -21.341 1.00 0.00 C ATOM 279 C THR A 19 -4.111 24.667 -21.796 1.00 0.00 C ATOM 280 O THR A 19 -4.444 25.451 -22.686 1.00 0.00 O ATOM 281 CB THR A 19 -6.451 23.639 -21.967 1.00 0.00 C ATOM 282 OG1 THR A 19 -7.403 22.892 -21.239 1.00 0.00 O ATOM 283 CG2 THR A 19 -6.500 23.094 -23.396 1.00 0.00 C ATOM 0 H THR A 19 -5.966 23.807 -19.482 1.00 0.00 H new ATOM 0 HA THR A 19 -4.587 22.602 -21.713 1.00 0.00 H new ATOM 0 HB THR A 19 -6.678 24.705 -21.952 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.146 21.946 -21.238 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.510 23.199 -23.791 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.805 23.653 -24.023 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.219 22.041 -23.394 1.00 0.00 H new ATOM 291 N ASP A 20 -2.947 24.805 -21.156 1.00 0.00 N ATOM 292 CA ASP A 20 -1.956 25.860 -21.406 1.00 0.00 C ATOM 293 C ASP A 20 -0.545 25.295 -21.601 1.00 0.00 C ATOM 294 O ASP A 20 0.060 24.770 -20.664 1.00 0.00 O ATOM 295 CB ASP A 20 -2.010 26.897 -20.272 1.00 0.00 C ATOM 296 CG ASP A 20 -0.963 28.008 -20.450 1.00 0.00 C ATOM 297 OD1 ASP A 20 -0.697 28.410 -21.607 1.00 0.00 O ATOM 298 OD2 ASP A 20 -0.414 28.498 -19.434 1.00 0.00 O ATOM 0 H ASP A 20 -2.656 24.161 -20.421 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.209 26.355 -22.343 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.005 27.341 -20.235 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.848 26.397 -19.317 1.00 0.00 H new ATOM 303 N ARG A 21 0.039 25.398 -22.801 1.00 0.00 N ATOM 304 CA ARG A 21 -0.503 25.889 -24.090 1.00 0.00 C ATOM 305 C ARG A 21 -1.665 25.025 -24.613 1.00 0.00 C ATOM 306 O ARG A 21 -1.877 23.900 -24.152 1.00 0.00 O ATOM 307 CB ARG A 21 0.638 25.926 -25.129 1.00 0.00 C ATOM 308 CG ARG A 21 1.800 26.891 -24.821 1.00 0.00 C ATOM 309 CD ARG A 21 1.504 28.372 -25.110 1.00 0.00 C ATOM 310 NE ARG A 21 0.739 29.041 -24.041 1.00 0.00 N ATOM 311 CZ ARG A 21 0.490 30.335 -23.945 1.00 0.00 C ATOM 312 NH1 ARG A 21 0.881 31.208 -24.829 1.00 0.00 N ATOM 313 NH2 ARG A 21 -0.173 30.769 -22.923 1.00 0.00 N ATOM 0 H ARG A 21 1.011 25.109 -22.913 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.906 26.888 -23.925 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.044 24.920 -25.229 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.214 26.196 -26.096 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.070 26.788 -23.770 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.669 26.588 -25.405 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.446 28.900 -25.256 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.948 28.447 -26.045 1.00 0.00 H new ATOM 0 HE ARG A 21 0.365 28.445 -23.302 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.408 30.904 -25.647 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.660 32.196 -24.703 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.494 30.116 -22.208 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.375 31.765 -22.831 1.00 0.00 H new ATOM 327 N ASN A 22 -2.419 25.553 -25.579 1.00 0.00 N ATOM 328 CA ASN A 22 -3.598 24.897 -26.156 1.00 0.00 C ATOM 329 C ASN A 22 -3.272 23.536 -26.810 1.00 0.00 C ATOM 330 O ASN A 22 -2.214 23.359 -27.421 1.00 0.00 O ATOM 331 CB ASN A 22 -4.301 25.859 -27.134 1.00 0.00 C ATOM 332 CG ASN A 22 -3.472 26.167 -28.374 1.00 0.00 C ATOM 333 OD1 ASN A 22 -2.522 26.937 -28.336 1.00 0.00 O ATOM 334 ND2 ASN A 22 -3.792 25.584 -29.507 1.00 0.00 N ATOM 0 H ASN A 22 -2.225 26.466 -25.991 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.283 24.664 -25.341 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.253 25.424 -27.440 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.528 26.791 -26.616 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.249 25.774 -30.349 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.583 24.941 -29.544 1.00 0.00 H new ATOM 341 N HIS A 23 -4.204 22.581 -26.706 1.00 0.00 N ATOM 342 CA HIS A 23 -4.052 21.221 -27.252 1.00 0.00 C ATOM 343 C HIS A 23 -4.304 21.153 -28.769 1.00 0.00 C ATOM 344 O HIS A 23 -3.630 20.405 -29.479 1.00 0.00 O ATOM 345 CB HIS A 23 -4.993 20.281 -26.482 1.00 0.00 C ATOM 346 CG HIS A 23 -4.879 18.832 -26.892 1.00 0.00 C ATOM 347 ND1 HIS A 23 -5.814 18.127 -27.657 1.00 0.00 N ATOM 348 CD2 HIS A 23 -3.847 17.996 -26.579 1.00 0.00 C ATOM 349 CE1 HIS A 23 -5.321 16.883 -27.789 1.00 0.00 C ATOM 350 NE2 HIS A 23 -4.141 16.778 -27.151 1.00 0.00 N ATOM 0 H HIS A 23 -5.097 22.730 -26.235 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.017 20.906 -27.118 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.782 20.365 -25.416 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.021 20.611 -26.630 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.971 18.241 -25.997 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.803 16.082 -28.330 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -3.563 15.939 -27.100 1.00 0.00 H new ATOM 358 N ASP A 24 -5.244 21.958 -29.275 1.00 0.00 N ATOM 359 CA ASP A 24 -5.606 22.055 -30.697 1.00 0.00 C ATOM 360 C ASP A 24 -6.137 23.455 -31.055 1.00 0.00 C ATOM 361 O ASP A 24 -6.360 24.293 -30.172 1.00 0.00 O ATOM 362 CB ASP A 24 -6.653 20.971 -31.036 1.00 0.00 C ATOM 363 CG ASP A 24 -6.598 20.464 -32.492 1.00 0.00 C ATOM 364 OD1 ASP A 24 -5.907 21.074 -33.345 1.00 0.00 O ATOM 365 OD2 ASP A 24 -7.261 19.441 -32.791 1.00 0.00 O ATOM 0 H ASP A 24 -5.795 22.583 -28.686 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.708 21.891 -31.293 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.512 20.124 -30.364 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.648 21.371 -30.841 1.00 0.00 H new ATOM 370 N LEU A 25 -6.362 23.702 -32.346 1.00 0.00 N ATOM 371 CA LEU A 25 -6.993 24.906 -32.894 1.00 0.00 C ATOM 372 C LEU A 25 -8.380 24.588 -33.485 1.00 0.00 C ATOM 373 O LEU A 25 -8.577 23.552 -34.126 1.00 0.00 O ATOM 374 CB LEU A 25 -6.072 25.553 -33.947 1.00 0.00 C ATOM 375 CG LEU A 25 -4.730 26.084 -33.406 1.00 0.00 C ATOM 376 CD1 LEU A 25 -3.868 26.581 -34.568 1.00 0.00 C ATOM 377 CD2 LEU A 25 -4.915 27.247 -32.428 1.00 0.00 C ATOM 0 H LEU A 25 -6.097 23.038 -33.073 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.143 25.618 -32.083 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.867 24.820 -34.727 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.608 26.377 -34.418 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.252 25.258 -32.879 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.920 26.956 -34.183 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.680 25.759 -35.259 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.390 27.382 -35.091 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.940 27.585 -32.076 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.424 28.069 -32.932 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.513 26.917 -31.579 1.00 0.00 H new ATOM 389 N ALA A 26 -9.336 25.496 -33.275 1.00 0.00 N ATOM 390 CA ALA A 26 -10.725 25.395 -33.737 1.00 0.00 C ATOM 391 C ALA A 26 -11.346 26.798 -33.953 1.00 0.00 C ATOM 392 O ALA A 26 -10.835 27.775 -33.394 1.00 0.00 O ATOM 393 CB ALA A 26 -11.513 24.599 -32.682 1.00 0.00 C ATOM 0 H ALA A 26 -9.158 26.357 -32.758 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.763 24.884 -34.699 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.552 24.506 -32.997 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.077 23.606 -32.575 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.469 25.120 -31.726 1.00 0.00 H new ATOM 399 N PRO A 27 -12.454 26.930 -34.711 1.00 0.00 N ATOM 400 CA PRO A 27 -13.214 28.179 -34.821 1.00 0.00 C ATOM 401 C PRO A 27 -14.012 28.442 -33.527 1.00 0.00 C ATOM 402 O PRO A 27 -15.146 27.981 -33.363 1.00 0.00 O ATOM 403 CB PRO A 27 -14.082 27.995 -36.073 1.00 0.00 C ATOM 404 CG PRO A 27 -14.341 26.489 -36.113 1.00 0.00 C ATOM 405 CD PRO A 27 -13.037 25.905 -35.573 1.00 0.00 C ATOM 0 HA PRO A 27 -12.589 29.066 -34.929 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -15.012 28.560 -36.003 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.568 28.337 -36.971 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.195 26.209 -35.496 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.551 26.142 -37.125 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.224 24.988 -35.015 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.359 25.650 -36.387 1.00 0.00 H new ATOM 413 N ARG A 28 -13.385 29.145 -32.572 1.00 0.00 N ATOM 414 CA ARG A 28 -13.889 29.374 -31.202 1.00 0.00 C ATOM 415 C ARG A 28 -13.619 30.788 -30.658 1.00 0.00 C ATOM 416 O ARG A 28 -12.825 31.543 -31.216 1.00 0.00 O ATOM 417 CB ARG A 28 -13.336 28.269 -30.277 1.00 0.00 C ATOM 418 CG ARG A 28 -11.826 28.403 -30.027 1.00 0.00 C ATOM 419 CD ARG A 28 -11.247 27.225 -29.237 1.00 0.00 C ATOM 420 NE ARG A 28 -9.777 27.351 -29.144 1.00 0.00 N ATOM 421 CZ ARG A 28 -8.866 26.420 -29.361 1.00 0.00 C ATOM 422 NH1 ARG A 28 -9.157 25.173 -29.595 1.00 0.00 N ATOM 423 NH2 ARG A 28 -7.602 26.718 -29.363 1.00 0.00 N ATOM 0 H ARG A 28 -12.480 29.587 -32.734 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.977 29.314 -31.234 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.862 28.303 -29.323 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.541 27.294 -30.720 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.310 28.481 -30.984 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.633 29.328 -29.484 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.682 27.198 -28.238 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.509 26.286 -29.724 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.423 28.270 -28.880 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.131 24.872 -29.618 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.411 24.497 -29.756 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.304 27.679 -29.196 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.907 25.991 -29.532 1.00 0.00 H new ATOM 437 N GLN A 29 -14.283 31.120 -29.548 1.00 0.00 N ATOM 438 CA GLN A 29 -14.262 32.402 -28.829 1.00 0.00 C ATOM 439 C GLN A 29 -14.198 32.146 -27.313 1.00 0.00 C ATOM 440 O GLN A 29 -15.183 31.741 -26.698 1.00 0.00 O ATOM 441 CB GLN A 29 -15.538 33.221 -29.120 1.00 0.00 C ATOM 442 CG GLN A 29 -15.863 33.456 -30.604 1.00 0.00 C ATOM 443 CD GLN A 29 -17.212 32.859 -30.986 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.085 33.515 -31.537 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.420 31.592 -30.698 1.00 0.00 N ATOM 0 H GLN A 29 -14.899 30.448 -29.090 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.387 32.958 -29.166 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.385 32.713 -28.659 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.443 34.191 -28.631 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.867 34.526 -30.811 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.081 33.015 -31.222 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.690 31.047 -30.239 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.311 31.155 -30.934 1.00 0.00 H new ATOM 454 N ILE A 30 -13.049 32.378 -26.689 1.00 0.00 N ATOM 455 CA ILE A 30 -12.897 32.330 -25.237 1.00 0.00 C ATOM 456 C ILE A 30 -13.262 33.699 -24.659 1.00 0.00 C ATOM 457 O ILE A 30 -12.521 34.673 -24.812 1.00 0.00 O ATOM 458 CB ILE A 30 -11.480 31.874 -24.837 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.153 30.430 -25.271 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.346 31.912 -23.301 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.166 30.089 -26.764 1.00 0.00 C ATOM 0 H ILE A 30 -12.186 32.608 -27.182 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.575 31.587 -24.817 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.794 32.555 -25.340 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.164 30.185 -24.885 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.862 29.767 -24.775 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.345 31.590 -23.015 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.515 32.929 -22.946 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.083 31.244 -22.855 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.916 29.037 -26.899 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.158 30.282 -27.173 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.433 30.706 -27.284 1.00 0.00 H new ATOM 473 N ALA A 31 -14.395 33.750 -23.963 1.00 0.00 N ATOM 474 CA ALA A 31 -14.779 34.864 -23.103 1.00 0.00 C ATOM 475 C ALA A 31 -14.422 34.575 -21.634 1.00 0.00 C ATOM 476 O ALA A 31 -14.258 33.423 -21.225 1.00 0.00 O ATOM 477 CB ALA A 31 -16.274 35.135 -23.292 1.00 0.00 C ATOM 0 H ALA A 31 -15.087 33.001 -23.982 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.223 35.759 -23.382 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.577 35.966 -22.655 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.469 35.387 -24.334 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.842 34.245 -23.021 1.00 0.00 H new ATOM 483 N ARG A 32 -14.329 35.634 -20.825 1.00 0.00 N ATOM 484 CA ARG A 32 -14.183 35.565 -19.361 1.00 0.00 C ATOM 485 C ARG A 32 -15.442 36.088 -18.675 1.00 0.00 C ATOM 486 O ARG A 32 -16.090 36.998 -19.188 1.00 0.00 O ATOM 487 CB ARG A 32 -12.927 36.330 -18.899 1.00 0.00 C ATOM 488 CG ARG A 32 -11.764 35.359 -18.671 1.00 0.00 C ATOM 489 CD ARG A 32 -10.452 36.081 -18.356 1.00 0.00 C ATOM 490 NE ARG A 32 -9.386 35.134 -17.968 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.132 35.436 -17.689 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.699 36.657 -17.745 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.297 34.501 -17.359 1.00 0.00 N ATOM 0 H ARG A 32 -14.353 36.591 -21.176 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.054 34.522 -19.073 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.649 37.071 -19.648 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.142 36.873 -17.978 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.012 34.687 -17.849 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.631 34.741 -19.559 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.132 36.651 -19.228 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.615 36.796 -17.550 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.645 34.149 -17.910 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.333 37.411 -18.010 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.725 36.863 -17.524 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.609 33.531 -17.315 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.328 34.735 -17.144 1.00 0.00 H new ATOM 507 N TYR A 33 -15.754 35.558 -17.496 1.00 0.00 N ATOM 508 CA TYR A 33 -16.879 35.990 -16.671 1.00 0.00 C ATOM 509 C TYR A 33 -16.486 36.034 -15.189 1.00 0.00 C ATOM 510 O TYR A 33 -15.738 35.181 -14.710 1.00 0.00 O ATOM 511 CB TYR A 33 -18.087 35.069 -16.861 1.00 0.00 C ATOM 512 CG TYR A 33 -18.665 34.992 -18.255 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.033 34.222 -19.248 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.869 35.655 -18.542 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.626 34.090 -20.517 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.458 35.539 -19.809 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.864 34.713 -20.781 1.00 0.00 C ATOM 518 OH TYR A 33 -20.515 34.481 -21.947 1.00 0.00 O ATOM 0 H TYR A 33 -15.219 34.798 -17.077 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.154 36.995 -16.992 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.800 34.063 -16.555 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.875 35.396 -16.183 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.094 33.733 -19.037 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.344 36.258 -17.782 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.135 33.513 -21.287 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.364 36.081 -20.038 1.00 0.00 H new ATOM 0 HH TYR A 33 -20.184 33.650 -22.347 1.00 0.00 H new ATOM 528 N ARG A 34 -17.005 37.028 -14.463 1.00 0.00 N ATOM 529 CA ARG A 34 -16.748 37.293 -13.040 1.00 0.00 C ATOM 530 C ARG A 34 -17.981 36.993 -12.193 1.00 0.00 C ATOM 531 O ARG A 34 -19.056 37.526 -12.462 1.00 0.00 O ATOM 532 CB ARG A 34 -16.286 38.749 -12.894 1.00 0.00 C ATOM 533 CG ARG A 34 -15.916 39.105 -11.448 1.00 0.00 C ATOM 534 CD ARG A 34 -15.265 40.492 -11.386 1.00 0.00 C ATOM 535 NE ARG A 34 -13.842 40.423 -11.004 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.248 40.870 -9.916 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.877 41.480 -8.949 1.00 0.00 N ATOM 538 NH2 ARG A 34 -11.966 40.700 -9.811 1.00 0.00 N ATOM 0 H ARG A 34 -17.649 37.706 -14.870 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.961 36.633 -12.674 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.424 38.920 -13.539 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.078 39.414 -13.238 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.809 39.088 -10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.232 38.357 -11.047 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.355 40.978 -12.358 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.802 41.112 -10.668 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.230 39.964 -11.679 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.884 41.633 -9.012 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.362 41.804 -8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.451 40.233 -10.557 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.473 41.033 -8.982 1.00 0.00 H new ATOM 552 N THR A 35 -17.820 36.155 -11.174 1.00 0.00 N ATOM 553 CA THR A 35 -18.890 35.739 -10.249 1.00 0.00 C ATOM 554 C THR A 35 -19.162 36.805 -9.190 1.00 0.00 C ATOM 555 O THR A 35 -18.467 37.821 -9.103 1.00 0.00 O ATOM 556 CB THR A 35 -18.580 34.416 -9.538 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.444 34.569 -8.741 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.360 33.259 -10.493 1.00 0.00 C ATOM 0 H THR A 35 -16.919 35.730 -10.955 1.00 0.00 H new ATOM 0 HA THR A 35 -19.773 35.601 -10.873 1.00 0.00 H new ATOM 0 HB THR A 35 -19.455 34.174 -8.934 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.667 34.749 -9.310 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.145 32.354 -9.925 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.257 33.107 -11.093 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.519 33.484 -11.149 1.00 0.00 H new ATOM 566 N ASP A 36 -20.142 36.556 -8.323 1.00 0.00 N ATOM 567 CA ASP A 36 -20.531 37.509 -7.285 1.00 0.00 C ATOM 568 C ASP A 36 -19.510 37.628 -6.137 1.00 0.00 C ATOM 569 O ASP A 36 -19.525 38.631 -5.421 1.00 0.00 O ATOM 570 CB ASP A 36 -21.937 37.152 -6.782 1.00 0.00 C ATOM 571 CG ASP A 36 -22.536 38.238 -5.870 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.797 39.363 -6.358 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.790 37.956 -4.673 1.00 0.00 O ATOM 0 H ASP A 36 -20.686 35.693 -8.320 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.547 38.503 -7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.596 36.997 -7.637 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.895 36.209 -6.237 1.00 0.00 H new ATOM 578 N ASN A 37 -18.570 36.676 -5.995 1.00 0.00 N ATOM 579 CA ASN A 37 -17.451 36.835 -5.049 1.00 0.00 C ATOM 580 C ASN A 37 -16.220 37.528 -5.685 1.00 0.00 C ATOM 581 O ASN A 37 -15.176 37.651 -5.040 1.00 0.00 O ATOM 582 CB ASN A 37 -17.065 35.503 -4.394 1.00 0.00 C ATOM 583 CG ASN A 37 -18.197 34.562 -4.029 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.268 34.939 -3.573 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.958 33.284 -4.199 1.00 0.00 N ATOM 0 H ASN A 37 -18.562 35.799 -6.516 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.812 37.499 -4.264 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.391 34.976 -5.069 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.501 35.722 -3.487 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.668 32.595 -3.950 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.062 32.979 -4.580 1.00 0.00 H new ATOM 592 N GLY A 38 -16.307 37.929 -6.961 1.00 0.00 N ATOM 593 CA GLY A 38 -15.175 38.377 -7.783 1.00 0.00 C ATOM 594 C GLY A 38 -14.355 37.249 -8.407 1.00 0.00 C ATOM 595 O GLY A 38 -13.299 37.516 -8.982 1.00 0.00 O ATOM 0 H GLY A 38 -17.194 37.951 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.553 39.017 -8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.516 38.990 -7.167 1.00 0.00 H new ATOM 599 N GLU A 39 -14.800 35.994 -8.296 1.00 0.00 N ATOM 600 CA GLU A 39 -14.072 34.847 -8.852 1.00 0.00 C ATOM 601 C GLU A 39 -14.236 34.850 -10.377 1.00 0.00 C ATOM 602 O GLU A 39 -15.357 34.783 -10.878 1.00 0.00 O ATOM 603 CB GLU A 39 -14.541 33.505 -8.249 1.00 0.00 C ATOM 604 CG GLU A 39 -14.907 33.593 -6.761 1.00 0.00 C ATOM 605 CD GLU A 39 -14.695 32.319 -5.924 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.756 31.527 -6.180 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.466 32.148 -4.947 1.00 0.00 O ATOM 0 H GLU A 39 -15.668 35.744 -7.822 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.019 34.947 -8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.407 33.149 -8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.752 32.764 -8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.322 34.396 -6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.956 33.881 -6.684 1.00 0.00 H new ATOM 614 N GLU A 40 -13.137 34.938 -11.120 1.00 0.00 N ATOM 615 CA GLU A 40 -13.155 35.025 -12.588 1.00 0.00 C ATOM 616 C GLU A 40 -12.797 33.678 -13.237 1.00 0.00 C ATOM 617 O GLU A 40 -11.777 33.061 -12.911 1.00 0.00 O ATOM 618 CB GLU A 40 -12.172 36.104 -13.067 1.00 0.00 C ATOM 619 CG GLU A 40 -12.770 37.503 -12.921 1.00 0.00 C ATOM 620 CD GLU A 40 -11.714 38.595 -13.165 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.111 38.643 -14.263 1.00 0.00 O ATOM 622 OE2 GLU A 40 -11.504 39.431 -12.252 1.00 0.00 O ATOM 0 H GLU A 40 -12.198 34.952 -10.723 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.168 35.292 -12.890 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.248 36.039 -12.492 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.911 35.924 -14.110 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.591 37.625 -13.628 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.190 37.618 -11.922 1.00 0.00 H new ATOM 629 N PHE A 41 -13.631 33.245 -14.185 1.00 0.00 N ATOM 630 CA PHE A 41 -13.489 32.004 -14.959 1.00 0.00 C ATOM 631 C PHE A 41 -13.549 32.272 -16.466 1.00 0.00 C ATOM 632 O PHE A 41 -14.028 33.318 -16.907 1.00 0.00 O ATOM 633 CB PHE A 41 -14.578 31.004 -14.543 1.00 0.00 C ATOM 634 CG PHE A 41 -14.459 30.527 -13.108 1.00 0.00 C ATOM 635 CD1 PHE A 41 -15.013 31.274 -12.049 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.757 29.339 -12.827 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.834 30.840 -10.730 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.573 28.914 -11.500 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.104 29.673 -10.447 1.00 0.00 C ATOM 0 H PHE A 41 -14.463 33.773 -14.448 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.510 31.577 -14.743 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.555 31.467 -14.682 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.537 30.141 -15.207 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.572 32.175 -12.254 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.356 28.749 -13.638 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.263 31.410 -9.919 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.025 28.007 -11.292 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.953 29.362 -9.424 1.00 0.00 H new ATOM 649 N GLU A 42 -13.087 31.313 -17.269 1.00 0.00 N ATOM 650 CA GLU A 42 -13.119 31.377 -18.731 1.00 0.00 C ATOM 651 C GLU A 42 -14.131 30.376 -19.294 1.00 0.00 C ATOM 652 O GLU A 42 -14.207 29.229 -18.842 1.00 0.00 O ATOM 653 CB GLU A 42 -11.736 31.114 -19.346 1.00 0.00 C ATOM 654 CG GLU A 42 -10.645 32.108 -18.916 1.00 0.00 C ATOM 655 CD GLU A 42 -9.330 31.476 -18.418 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.906 30.403 -18.907 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.682 32.120 -17.557 1.00 0.00 O ATOM 0 H GLU A 42 -12.671 30.452 -16.914 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.423 32.389 -19.000 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.418 30.107 -19.076 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.825 31.140 -20.432 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.418 32.759 -19.760 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.046 32.741 -18.124 1.00 0.00 H new ATOM 664 N VAL A 43 -14.884 30.806 -20.306 1.00 0.00 N ATOM 665 CA VAL A 43 -15.875 29.989 -21.017 1.00 0.00 C ATOM 666 C VAL A 43 -15.561 29.964 -22.523 1.00 0.00 C ATOM 667 O VAL A 43 -15.707 30.993 -23.191 1.00 0.00 O ATOM 668 CB VAL A 43 -17.310 30.480 -20.758 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.328 29.521 -21.385 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.633 30.625 -19.264 1.00 0.00 C ATOM 0 H VAL A 43 -14.822 31.758 -20.666 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.812 28.972 -20.631 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.377 31.466 -21.217 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.337 29.884 -21.192 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.162 29.467 -22.461 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.210 28.529 -20.949 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.659 30.974 -19.146 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.520 29.659 -18.772 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.950 31.345 -18.812 1.00 0.00 H new ATOM 680 N PRO A 44 -15.115 28.821 -23.080 1.00 0.00 N ATOM 681 CA PRO A 44 -14.927 28.645 -24.518 1.00 0.00 C ATOM 682 C PRO A 44 -16.269 28.425 -25.246 1.00 0.00 C ATOM 683 O PRO A 44 -17.011 27.486 -24.953 1.00 0.00 O ATOM 684 CB PRO A 44 -13.979 27.449 -24.656 1.00 0.00 C ATOM 685 CG PRO A 44 -14.263 26.607 -23.411 1.00 0.00 C ATOM 686 CD PRO A 44 -14.674 27.636 -22.355 1.00 0.00 C ATOM 0 HA PRO A 44 -14.506 29.535 -24.986 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.174 26.888 -25.570 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.937 27.767 -24.694 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.056 25.882 -23.592 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.382 26.045 -23.100 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.474 27.247 -21.725 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.837 27.873 -21.698 1.00 0.00 H new ATOM 694 N PHE A 45 -16.550 29.277 -26.232 1.00 0.00 N ATOM 695 CA PHE A 45 -17.696 29.201 -27.151 1.00 0.00 C ATOM 696 C PHE A 45 -17.250 28.801 -28.559 1.00 0.00 C ATOM 697 O PHE A 45 -16.226 29.274 -29.041 1.00 0.00 O ATOM 698 CB PHE A 45 -18.402 30.564 -27.206 1.00 0.00 C ATOM 699 CG PHE A 45 -19.216 30.880 -25.970 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.596 31.468 -24.851 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.593 30.586 -25.933 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.350 31.749 -23.701 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.345 30.871 -24.778 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.720 31.446 -23.658 1.00 0.00 C ATOM 0 H PHE A 45 -15.955 30.083 -26.425 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.382 28.440 -26.779 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.654 31.345 -27.347 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.057 30.589 -28.077 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.542 31.702 -24.877 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.073 30.141 -26.792 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.873 32.201 -22.844 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.401 30.648 -24.752 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.293 31.654 -22.766 1.00 0.00 H new ATOM 714 N ALA A 46 -18.043 28.005 -29.269 1.00 0.00 N ATOM 715 CA ALA A 46 -17.808 27.675 -30.680 1.00 0.00 C ATOM 716 C ALA A 46 -18.399 28.756 -31.603 1.00 0.00 C ATOM 717 O ALA A 46 -19.298 29.493 -31.201 1.00 0.00 O ATOM 718 CB ALA A 46 -18.392 26.287 -30.965 1.00 0.00 C ATOM 0 H ALA A 46 -18.877 27.564 -28.882 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.737 27.650 -30.883 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.224 26.029 -32.011 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.905 25.549 -30.327 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.463 26.294 -30.760 1.00 0.00 H new ATOM 724 N ASP A 47 -17.933 28.849 -32.849 1.00 0.00 N ATOM 725 CA ASP A 47 -18.419 29.817 -33.854 1.00 0.00 C ATOM 726 C ASP A 47 -19.923 29.665 -34.187 1.00 0.00 C ATOM 727 O ASP A 47 -20.563 30.605 -34.663 1.00 0.00 O ATOM 728 CB ASP A 47 -17.547 29.684 -35.109 1.00 0.00 C ATOM 729 CG ASP A 47 -17.915 30.693 -36.210 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.630 31.903 -36.042 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.448 30.274 -37.267 1.00 0.00 O ATOM 0 H ASP A 47 -17.192 28.244 -33.203 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.330 30.819 -33.433 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.501 29.821 -34.834 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.642 28.673 -35.505 1.00 0.00 H new ATOM 736 N ASP A 48 -20.509 28.498 -33.892 1.00 0.00 N ATOM 737 CA ASP A 48 -21.955 28.236 -33.987 1.00 0.00 C ATOM 738 C ASP A 48 -22.780 28.944 -32.882 1.00 0.00 C ATOM 739 O ASP A 48 -24.007 29.029 -32.974 1.00 0.00 O ATOM 740 CB ASP A 48 -22.156 26.714 -33.941 1.00 0.00 C ATOM 741 CG ASP A 48 -23.599 26.287 -34.264 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.063 26.527 -35.406 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.260 25.667 -33.396 1.00 0.00 O ATOM 0 H ASP A 48 -19.979 27.687 -33.572 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.325 28.650 -34.925 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.476 26.242 -34.650 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.888 26.348 -32.950 1.00 0.00 H new ATOM 748 N ALA A 49 -22.109 29.475 -31.853 1.00 0.00 N ATOM 749 CA ALA A 49 -22.675 30.225 -30.728 1.00 0.00 C ATOM 750 C ALA A 49 -22.137 31.670 -30.654 1.00 0.00 C ATOM 751 O ALA A 49 -21.093 31.997 -31.223 1.00 0.00 O ATOM 752 CB ALA A 49 -22.379 29.448 -29.437 1.00 0.00 C ATOM 0 H ALA A 49 -21.095 29.387 -31.780 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.752 30.320 -30.869 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.791 29.988 -28.585 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.834 28.459 -29.495 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.301 29.344 -29.314 1.00 0.00 H new ATOM 758 N GLU A 50 -22.833 32.538 -29.912 1.00 0.00 N ATOM 759 CA GLU A 50 -22.413 33.917 -29.611 1.00 0.00 C ATOM 760 C GLU A 50 -22.558 34.229 -28.115 1.00 0.00 C ATOM 761 O GLU A 50 -23.533 33.829 -27.479 1.00 0.00 O ATOM 762 CB GLU A 50 -23.213 34.936 -30.439 1.00 0.00 C ATOM 763 CG GLU A 50 -22.763 34.971 -31.902 1.00 0.00 C ATOM 764 CD GLU A 50 -23.621 35.954 -32.722 1.00 0.00 C ATOM 765 OE1 GLU A 50 -23.269 37.157 -32.799 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.654 35.534 -33.300 1.00 0.00 O ATOM 0 H GLU A 50 -23.730 32.297 -29.491 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.360 33.999 -29.882 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.273 34.688 -30.392 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.098 35.928 -30.001 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.715 35.265 -31.957 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.837 33.972 -32.333 1.00 0.00 H new ATOM 773 N ILE A 51 -21.580 34.966 -27.579 1.00 0.00 N ATOM 774 CA ILE A 51 -21.383 35.320 -26.166 1.00 0.00 C ATOM 775 C ILE A 51 -22.589 36.090 -25.596 1.00 0.00 C ATOM 776 O ILE A 51 -22.822 37.248 -25.970 1.00 0.00 O ATOM 777 CB ILE A 51 -20.100 36.157 -25.951 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.883 35.700 -26.794 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.718 36.180 -24.461 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.360 34.291 -26.508 1.00 0.00 C ATOM 0 H ILE A 51 -20.847 35.363 -28.167 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.280 34.375 -25.632 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.349 37.159 -26.299 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.154 35.758 -27.848 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.069 36.407 -26.634 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.813 36.773 -24.326 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.530 36.622 -23.884 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.539 35.162 -24.115 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.509 34.080 -27.156 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.048 34.223 -25.466 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.150 33.564 -26.699 1.00 0.00 H new ATOM 792 N PRO A 52 -23.367 35.477 -24.695 1.00 0.00 N ATOM 793 CA PRO A 52 -24.373 36.170 -23.902 1.00 0.00 C ATOM 794 C PRO A 52 -23.719 37.091 -22.855 1.00 0.00 C ATOM 795 O PRO A 52 -22.610 36.846 -22.381 1.00 0.00 O ATOM 796 CB PRO A 52 -25.204 35.054 -23.269 1.00 0.00 C ATOM 797 CG PRO A 52 -24.232 33.882 -23.152 1.00 0.00 C ATOM 798 CD PRO A 52 -23.232 34.094 -24.279 1.00 0.00 C ATOM 0 HA PRO A 52 -24.997 36.833 -24.501 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.590 35.350 -22.294 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.064 34.798 -23.888 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.738 33.873 -22.181 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.748 32.928 -23.255 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.217 33.888 -23.940 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.434 33.418 -25.109 1.00 0.00 H new ATOM 806 N GLY A 53 -24.425 38.154 -22.460 1.00 0.00 N ATOM 807 CA GLY A 53 -24.009 39.099 -21.408 1.00 0.00 C ATOM 808 C GLY A 53 -23.565 38.450 -20.086 1.00 0.00 C ATOM 809 O GLY A 53 -22.704 38.996 -19.391 1.00 0.00 O ATOM 0 H GLY A 53 -25.327 38.392 -22.872 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.188 39.706 -21.790 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.837 39.777 -21.202 1.00 0.00 H new ATOM 813 N THR A 54 -24.115 37.282 -19.737 1.00 0.00 N ATOM 814 CA THR A 54 -23.700 36.492 -18.569 1.00 0.00 C ATOM 815 C THR A 54 -23.717 34.975 -18.824 1.00 0.00 C ATOM 816 O THR A 54 -24.389 34.496 -19.742 1.00 0.00 O ATOM 817 CB THR A 54 -24.626 36.758 -17.362 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.963 36.410 -17.673 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.698 38.225 -16.950 1.00 0.00 C ATOM 0 H THR A 54 -24.873 36.851 -20.266 1.00 0.00 H new ATOM 0 HA THR A 54 -22.677 36.809 -18.364 1.00 0.00 H new ATOM 0 HB THR A 54 -24.195 36.160 -16.558 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.535 36.583 -16.897 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.368 38.331 -16.096 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.703 38.575 -16.676 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.075 38.819 -17.783 1.00 0.00 H new ATOM 827 N TRP A 55 -22.982 34.209 -18.005 1.00 0.00 N ATOM 828 CA TRP A 55 -22.864 32.747 -18.101 1.00 0.00 C ATOM 829 C TRP A 55 -22.451 32.096 -16.766 1.00 0.00 C ATOM 830 O TRP A 55 -21.683 32.671 -15.992 1.00 0.00 O ATOM 831 CB TRP A 55 -21.833 32.406 -19.183 1.00 0.00 C ATOM 832 CG TRP A 55 -21.819 30.974 -19.616 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.037 30.006 -19.094 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.606 30.318 -20.657 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.233 28.823 -19.772 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.201 28.952 -20.743 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.612 30.749 -21.545 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.756 28.064 -21.678 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.183 29.866 -22.483 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.755 28.526 -22.552 1.00 0.00 C ATOM 0 H TRP A 55 -22.438 34.600 -17.236 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.845 32.348 -18.358 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.024 33.031 -20.055 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.841 32.668 -18.814 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.357 30.139 -18.266 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.725 27.960 -19.579 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.951 31.774 -21.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.420 27.039 -21.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.953 30.219 -23.153 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.194 27.855 -23.275 1.00 0.00 H new ATOM 851 N LEU A 56 -22.912 30.869 -16.496 1.00 0.00 N ATOM 852 CA LEU A 56 -22.618 30.142 -15.256 1.00 0.00 C ATOM 853 C LEU A 56 -21.147 29.688 -15.201 1.00 0.00 C ATOM 854 O LEU A 56 -20.656 28.991 -16.093 1.00 0.00 O ATOM 855 CB LEU A 56 -23.596 28.959 -15.112 1.00 0.00 C ATOM 856 CG LEU A 56 -24.216 28.823 -13.712 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.339 27.785 -13.735 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.194 28.374 -12.671 1.00 0.00 C ATOM 0 H LEU A 56 -23.506 30.347 -17.140 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.760 30.813 -14.409 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.397 29.073 -15.843 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.071 28.036 -15.356 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.593 29.809 -13.440 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.772 27.696 -12.739 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.110 28.098 -14.439 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.936 26.820 -14.044 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.678 28.292 -11.698 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.786 27.404 -12.956 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.387 29.105 -12.614 1.00 0.00 H new ATOM 870 N CYS A 57 -20.448 30.072 -14.136 1.00 0.00 N ATOM 871 CA CYS A 57 -19.027 29.787 -13.923 1.00 0.00 C ATOM 872 C CYS A 57 -18.790 28.520 -13.089 1.00 0.00 C ATOM 873 O CYS A 57 -19.676 28.050 -12.371 1.00 0.00 O ATOM 874 CB CYS A 57 -18.380 31.012 -13.272 1.00 0.00 C ATOM 875 SG CYS A 57 -18.305 32.353 -14.480 1.00 0.00 S ATOM 0 H CYS A 57 -20.865 30.606 -13.373 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.565 29.588 -14.890 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.956 31.323 -12.400 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.378 30.766 -12.921 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.759 33.399 -13.934 1.00 0.00 H new ATOM 881 N ARG A 58 -17.557 27.992 -13.127 1.00 0.00 N ATOM 882 CA ARG A 58 -17.183 26.715 -12.481 1.00 0.00 C ATOM 883 C ARG A 58 -17.181 26.757 -10.944 1.00 0.00 C ATOM 884 O ARG A 58 -17.181 25.704 -10.306 1.00 0.00 O ATOM 885 CB ARG A 58 -15.841 26.195 -13.033 1.00 0.00 C ATOM 886 CG ARG A 58 -15.795 26.131 -14.572 1.00 0.00 C ATOM 887 CD ARG A 58 -14.522 25.451 -15.091 1.00 0.00 C ATOM 888 NE ARG A 58 -14.549 23.988 -14.887 1.00 0.00 N ATOM 889 CZ ARG A 58 -13.622 23.129 -15.275 1.00 0.00 C ATOM 890 NH1 ARG A 58 -12.513 23.499 -15.842 1.00 0.00 N ATOM 891 NH2 ARG A 58 -13.780 21.850 -15.108 1.00 0.00 N ATOM 0 H ARG A 58 -16.780 28.441 -13.611 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.972 26.010 -12.742 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.037 26.840 -12.680 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.652 25.200 -12.630 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.668 25.589 -14.937 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.855 27.141 -14.977 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.404 25.666 -16.153 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.654 25.871 -14.583 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.359 23.604 -14.401 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.329 24.489 -16.004 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.827 22.799 -16.125 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.630 21.494 -14.671 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.054 21.202 -15.414 1.00 0.00 H new ATOM 905 N ASN A 59 -17.259 27.951 -10.344 1.00 0.00 N ATOM 906 CA ASN A 59 -17.531 28.140 -8.910 1.00 0.00 C ATOM 907 C ASN A 59 -18.976 27.733 -8.514 1.00 0.00 C ATOM 908 O ASN A 59 -19.278 27.516 -7.340 1.00 0.00 O ATOM 909 CB ASN A 59 -17.261 29.621 -8.587 1.00 0.00 C ATOM 910 CG ASN A 59 -17.479 30.049 -7.143 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.282 29.307 -6.191 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.836 31.298 -6.939 1.00 0.00 N ATOM 0 H ASN A 59 -17.133 28.829 -10.848 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.880 27.488 -8.328 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.230 29.847 -8.859 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.900 30.232 -9.225 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.948 31.647 -5.987 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.000 31.918 -7.732 1.00 0.00 H new ATOM 919 N GLY A 60 -19.875 27.614 -9.495 1.00 0.00 N ATOM 920 CA GLY A 60 -21.305 27.346 -9.310 1.00 0.00 C ATOM 921 C GLY A 60 -22.161 28.614 -9.192 1.00 0.00 C ATOM 922 O GLY A 60 -23.317 28.526 -8.773 1.00 0.00 O ATOM 0 H GLY A 60 -19.617 27.705 -10.478 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.666 26.752 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.439 26.743 -8.412 1.00 0.00 H new ATOM 926 N MET A 61 -21.613 29.785 -9.550 1.00 0.00 N ATOM 927 CA MET A 61 -22.308 31.076 -9.546 1.00 0.00 C ATOM 928 C MET A 61 -22.436 31.654 -10.962 1.00 0.00 C ATOM 929 O MET A 61 -21.565 31.455 -11.810 1.00 0.00 O ATOM 930 CB MET A 61 -21.583 32.039 -8.585 1.00 0.00 C ATOM 931 CG MET A 61 -22.388 33.307 -8.263 1.00 0.00 C ATOM 932 SD MET A 61 -24.071 33.019 -7.641 1.00 0.00 S ATOM 933 CE MET A 61 -24.665 34.726 -7.508 1.00 0.00 C ATOM 0 H MET A 61 -20.644 29.859 -9.859 1.00 0.00 H new ATOM 0 HA MET A 61 -23.328 30.933 -9.188 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.361 31.514 -7.656 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.628 32.327 -9.024 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.839 33.888 -7.522 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.451 33.917 -9.164 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.717 34.724 -7.223 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.085 35.255 -6.752 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.550 35.227 -8.469 1.00 0.00 H new ATOM 943 N GLU A 62 -23.509 32.403 -11.216 1.00 0.00 N ATOM 944 CA GLU A 62 -23.695 33.180 -12.445 1.00 0.00 C ATOM 945 C GLU A 62 -22.607 34.259 -12.563 1.00 0.00 C ATOM 946 O GLU A 62 -22.574 35.221 -11.789 1.00 0.00 O ATOM 947 CB GLU A 62 -25.098 33.814 -12.470 1.00 0.00 C ATOM 948 CG GLU A 62 -26.242 32.800 -12.645 1.00 0.00 C ATOM 949 CD GLU A 62 -26.337 32.163 -14.051 1.00 0.00 C ATOM 950 OE1 GLU A 62 -25.531 32.490 -14.954 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.248 31.325 -14.259 1.00 0.00 O ATOM 0 H GLU A 62 -24.288 32.489 -10.563 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.607 32.510 -13.300 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.253 34.364 -11.542 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.143 34.540 -13.282 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -26.119 32.005 -11.909 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -27.186 33.297 -12.423 1.00 0.00 H new ATOM 958 N GLY A 63 -21.694 34.081 -13.518 1.00 0.00 N ATOM 959 CA GLY A 63 -20.669 35.059 -13.865 1.00 0.00 C ATOM 960 C GLY A 63 -21.171 36.081 -14.886 1.00 0.00 C ATOM 961 O GLY A 63 -21.943 35.746 -15.784 1.00 0.00 O ATOM 0 H GLY A 63 -21.648 33.233 -14.083 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.344 35.578 -12.963 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.798 34.543 -14.268 1.00 0.00 H new ATOM 965 N THR A 64 -20.693 37.321 -14.799 1.00 0.00 N ATOM 966 CA THR A 64 -20.962 38.370 -15.796 1.00 0.00 C ATOM 967 C THR A 64 -19.748 38.625 -16.675 1.00 0.00 C ATOM 968 O THR A 64 -18.624 38.626 -16.181 1.00 0.00 O ATOM 969 CB THR A 64 -21.409 39.680 -15.133 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.553 39.456 -14.333 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.775 40.777 -16.139 1.00 0.00 C ATOM 0 H THR A 64 -20.102 37.634 -14.029 1.00 0.00 H new ATOM 0 HA THR A 64 -21.776 38.006 -16.423 1.00 0.00 H new ATOM 0 HB THR A 64 -20.555 40.014 -14.544 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.829 40.298 -13.913 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.082 41.675 -15.603 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.909 41.004 -16.761 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.595 40.433 -16.770 1.00 0.00 H new ATOM 979 N LEU A 65 -19.973 38.837 -17.971 1.00 0.00 N ATOM 980 CA LEU A 65 -18.943 39.064 -18.982 1.00 0.00 C ATOM 981 C LEU A 65 -18.084 40.308 -18.671 1.00 0.00 C ATOM 982 O LEU A 65 -18.615 41.417 -18.559 1.00 0.00 O ATOM 983 CB LEU A 65 -19.680 39.166 -20.332 1.00 0.00 C ATOM 984 CG LEU A 65 -18.777 39.171 -21.575 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.191 37.802 -21.850 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.583 39.603 -22.801 1.00 0.00 C ATOM 0 H LEU A 65 -20.916 38.856 -18.360 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.226 38.243 -19.002 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.375 38.330 -20.412 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.277 40.078 -20.333 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.963 39.870 -21.380 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.559 37.848 -22.737 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.594 37.483 -20.995 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -18.997 37.088 -22.016 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.937 39.605 -23.679 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.407 38.907 -22.958 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.980 40.605 -22.641 1.00 0.00 H new ATOM 998 N ILE A 66 -16.764 40.127 -18.550 1.00 0.00 N ATOM 999 CA ILE A 66 -15.774 41.193 -18.288 1.00 0.00 C ATOM 1000 C ILE A 66 -14.610 41.167 -19.289 1.00 0.00 C ATOM 1001 O ILE A 66 -14.261 40.124 -19.842 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.240 41.198 -16.827 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.296 40.037 -16.431 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.378 41.322 -15.806 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.815 38.641 -16.693 1.00 0.00 C ATOM 0 H ILE A 66 -16.335 39.205 -18.634 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.322 42.125 -18.428 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.611 42.088 -16.803 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.356 40.160 -16.968 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -14.070 40.126 -15.368 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.964 41.322 -14.798 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.919 42.253 -15.976 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.061 40.480 -15.918 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.070 37.911 -16.377 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.737 38.485 -16.133 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.012 38.520 -17.758 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.980 42.326 -19.487 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.768 42.505 -20.292 1.00 0.00 C ATOM 1019 C GLU A 67 -11.751 43.386 -19.544 1.00 0.00 C ATOM 1020 O GLU A 67 -12.098 44.444 -19.011 1.00 0.00 O ATOM 1021 CB GLU A 67 -13.112 43.137 -21.652 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.900 42.203 -22.580 1.00 0.00 C ATOM 1023 CD GLU A 67 -14.160 42.879 -23.940 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -13.311 42.757 -24.858 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -15.215 43.540 -24.105 1.00 0.00 O ATOM 0 H GLU A 67 -14.311 43.199 -19.076 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.324 41.524 -20.464 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.692 44.045 -21.485 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.189 43.435 -22.149 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.345 41.277 -22.729 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.848 41.935 -22.114 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.488 42.953 -19.518 1.00 0.00 N ATOM 1033 CA GLY A 68 -9.359 43.714 -18.953 1.00 0.00 C ATOM 1034 C GLY A 68 -8.047 42.918 -18.900 1.00 0.00 C ATOM 1035 O GLY A 68 -6.966 43.470 -19.113 1.00 0.00 O ATOM 0 H GLY A 68 -10.211 42.047 -19.895 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.204 44.614 -19.548 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.618 44.039 -17.945 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.152 41.603 -18.702 1.00 0.00 N ATOM 1040 CA ASP A 69 -7.098 40.606 -18.885 1.00 0.00 C ATOM 1041 C ASP A 69 -7.750 39.356 -19.497 1.00 0.00 C ATOM 1042 O ASP A 69 -8.779 38.888 -19.001 1.00 0.00 O ATOM 1043 CB ASP A 69 -6.422 40.308 -17.535 1.00 0.00 C ATOM 1044 CG ASP A 69 -5.218 39.373 -17.699 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -4.111 39.866 -18.023 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -5.379 38.137 -17.580 1.00 0.00 O ATOM 0 H ASP A 69 -9.027 41.181 -18.391 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.316 40.966 -19.554 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.098 41.242 -17.076 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.146 39.854 -16.858 1.00 0.00 H new ATOM 1051 N LEU A 70 -7.191 38.837 -20.591 1.00 0.00 N ATOM 1052 CA LEU A 70 -7.732 37.704 -21.363 1.00 0.00 C ATOM 1053 C LEU A 70 -6.662 36.620 -21.630 1.00 0.00 C ATOM 1054 O LEU A 70 -5.476 36.958 -21.701 1.00 0.00 O ATOM 1055 CB LEU A 70 -8.337 38.232 -22.682 1.00 0.00 C ATOM 1056 CG LEU A 70 -9.554 39.169 -22.527 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -9.891 39.803 -23.876 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -10.794 38.430 -22.017 1.00 0.00 C ATOM 0 H LEU A 70 -6.322 39.201 -20.981 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.513 37.224 -20.774 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.559 38.763 -23.231 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.633 37.379 -23.293 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.281 39.929 -21.795 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.750 40.464 -23.763 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.036 40.378 -24.232 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.127 39.020 -24.597 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.623 39.131 -21.924 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.062 37.641 -22.720 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.580 37.990 -21.043 1.00 0.00 H new ATOM 1070 N PRO A 71 -7.043 35.340 -21.826 1.00 0.00 N ATOM 1071 CA PRO A 71 -6.115 34.228 -22.082 1.00 0.00 C ATOM 1072 C PRO A 71 -5.579 34.240 -23.530 1.00 0.00 C ATOM 1073 O PRO A 71 -5.896 33.387 -24.360 1.00 0.00 O ATOM 1074 CB PRO A 71 -6.906 32.967 -21.714 1.00 0.00 C ATOM 1075 CG PRO A 71 -8.330 33.347 -22.106 1.00 0.00 C ATOM 1076 CD PRO A 71 -8.406 34.824 -21.725 1.00 0.00 C ATOM 0 HA PRO A 71 -5.205 34.295 -21.486 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.554 32.093 -22.261 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.826 32.733 -20.653 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.510 33.194 -23.170 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.069 32.753 -21.569 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.078 35.364 -22.392 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.795 34.946 -20.714 1.00 0.00 H new ATOM 1084 N GLU A 72 -4.775 35.261 -23.831 1.00 0.00 N ATOM 1085 CA GLU A 72 -4.083 35.548 -25.093 1.00 0.00 C ATOM 1086 C GLU A 72 -4.910 35.320 -26.388 1.00 0.00 C ATOM 1087 O GLU A 72 -4.464 34.590 -27.280 1.00 0.00 O ATOM 1088 CB GLU A 72 -2.763 34.756 -25.065 1.00 0.00 C ATOM 1089 CG GLU A 72 -1.761 35.234 -24.004 1.00 0.00 C ATOM 1090 CD GLU A 72 -0.695 34.151 -23.765 1.00 0.00 C ATOM 1091 OE1 GLU A 72 0.170 33.916 -24.642 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -0.732 33.477 -22.708 1.00 0.00 O ATOM 0 H GLU A 72 -4.571 35.976 -23.133 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.899 36.621 -25.149 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.988 33.704 -24.888 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.293 34.821 -26.047 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.285 36.159 -24.331 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.282 35.455 -23.073 1.00 0.00 H new ATOM 1099 N PRO A 73 -6.058 36.009 -26.589 1.00 0.00 N ATOM 1100 CA PRO A 73 -6.761 36.008 -27.875 1.00 0.00 C ATOM 1101 C PRO A 73 -6.265 37.174 -28.752 1.00 0.00 C ATOM 1102 O PRO A 73 -7.021 38.054 -29.174 1.00 0.00 O ATOM 1103 CB PRO A 73 -8.230 36.129 -27.474 1.00 0.00 C ATOM 1104 CG PRO A 73 -8.169 37.090 -26.284 1.00 0.00 C ATOM 1105 CD PRO A 73 -6.850 36.727 -25.595 1.00 0.00 C ATOM 0 HA PRO A 73 -6.591 35.119 -28.482 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.841 36.525 -28.285 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.656 35.165 -27.196 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.179 38.131 -26.608 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.020 36.956 -25.616 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.329 37.622 -25.254 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.027 36.107 -24.716 1.00 0.00 H new ATOM 1113 N LYS A 74 -4.959 37.156 -29.035 1.00 0.00 N ATOM 1114 CA LYS A 74 -4.198 38.173 -29.788 1.00 0.00 C ATOM 1115 C LYS A 74 -2.782 37.662 -30.112 1.00 0.00 C ATOM 1116 O LYS A 74 -2.283 36.748 -29.449 1.00 0.00 O ATOM 1117 CB LYS A 74 -4.119 39.480 -28.955 1.00 0.00 C ATOM 1118 CG LYS A 74 -3.792 40.721 -29.807 1.00 0.00 C ATOM 1119 CD LYS A 74 -3.997 42.035 -29.038 1.00 0.00 C ATOM 1120 CE LYS A 74 -3.736 43.215 -29.984 1.00 0.00 C ATOM 1121 NZ LYS A 74 -4.022 44.525 -29.343 1.00 0.00 N ATOM 0 H LYS A 74 -4.363 36.387 -28.728 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.710 38.374 -30.729 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.070 39.637 -28.445 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.358 39.366 -28.183 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.758 40.661 -30.148 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.422 40.723 -30.697 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.012 42.086 -28.644 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.321 42.081 -28.184 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.697 43.192 -30.311 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.354 43.107 -30.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.946 45.282 -30.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.984 44.515 -28.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.336 44.695 -28.580 1.00 0.00 H new ATOM 1135 N LYS A 75 -2.114 38.292 -31.085 1.00 0.00 N ATOM 1136 CA LYS A 75 -0.649 38.229 -31.265 1.00 0.00 C ATOM 1137 C LYS A 75 0.109 38.866 -30.081 1.00 0.00 C ATOM 1138 O LYS A 75 -0.502 39.435 -29.175 1.00 0.00 O ATOM 1139 CB LYS A 75 -0.272 38.849 -32.627 1.00 0.00 C ATOM 1140 CG LYS A 75 -0.515 40.367 -32.720 1.00 0.00 C ATOM 1141 CD LYS A 75 -0.135 40.891 -34.112 1.00 0.00 C ATOM 1142 CE LYS A 75 -0.379 42.402 -34.208 1.00 0.00 C ATOM 1143 NZ LYS A 75 -0.050 42.922 -35.561 1.00 0.00 N ATOM 0 H LYS A 75 -2.579 38.871 -31.784 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.337 37.185 -31.273 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.781 38.648 -32.826 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.845 38.352 -33.410 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.563 40.586 -32.517 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.072 40.882 -31.959 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.914 40.673 -34.314 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.720 40.374 -34.873 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.422 42.619 -33.978 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.226 42.917 -33.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.226 43.947 -35.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.952 42.737 -35.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.645 42.447 -36.270 1.00 0.00 H new ATOM 1157 N VAL A 76 1.443 38.802 -30.102 1.00 0.00 N ATOM 1158 CA VAL A 76 2.352 39.332 -29.058 1.00 0.00 C ATOM 1159 C VAL A 76 2.478 40.870 -29.078 1.00 0.00 C ATOM 1160 O VAL A 76 3.553 41.437 -29.291 1.00 0.00 O ATOM 1161 CB VAL A 76 3.718 38.605 -29.077 1.00 0.00 C ATOM 1162 CG1 VAL A 76 3.558 37.159 -28.592 1.00 0.00 C ATOM 1163 CG2 VAL A 76 4.392 38.570 -30.459 1.00 0.00 C ATOM 0 H VAL A 76 1.948 38.364 -30.873 1.00 0.00 H new ATOM 0 HA VAL A 76 1.889 39.109 -28.097 1.00 0.00 H new ATOM 0 HB VAL A 76 4.359 39.184 -28.412 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.527 36.660 -28.611 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.169 37.158 -27.574 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.865 36.630 -29.246 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.344 38.043 -30.386 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.744 38.053 -31.167 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.567 39.589 -30.805 1.00 0.00 H new ATOM 1173 N LYS A 77 1.345 41.555 -28.884 1.00 0.00 N ATOM 1174 CA LYS A 77 1.170 43.016 -28.911 1.00 0.00 C ATOM 1175 C LYS A 77 0.236 43.448 -27.758 1.00 0.00 C ATOM 1176 O LYS A 77 -0.735 42.726 -27.504 1.00 0.00 O ATOM 1177 CB LYS A 77 0.602 43.391 -30.297 1.00 0.00 C ATOM 1178 CG LYS A 77 0.546 44.894 -30.619 1.00 0.00 C ATOM 1179 CD LYS A 77 1.936 45.500 -30.877 1.00 0.00 C ATOM 1180 CE LYS A 77 1.807 46.998 -31.187 1.00 0.00 C ATOM 1181 NZ LYS A 77 3.129 47.616 -31.470 1.00 0.00 N ATOM 0 H LYS A 77 0.467 41.074 -28.691 1.00 0.00 H new ATOM 0 HA LYS A 77 2.116 43.537 -28.763 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.205 42.899 -31.060 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.406 42.985 -30.376 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.082 45.050 -31.496 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.073 45.421 -29.791 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.573 45.354 -30.004 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.416 44.988 -31.711 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.149 47.137 -32.045 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.341 47.506 -30.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.003 48.628 -31.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.748 47.505 -30.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.562 47.148 -32.291 1.00 0.00 H new ATOM 1195 N PRO A 78 0.461 44.598 -27.081 1.00 0.00 N ATOM 1196 CA PRO A 78 -0.331 45.020 -25.919 1.00 0.00 C ATOM 1197 C PRO A 78 -1.857 44.967 -26.139 1.00 0.00 C ATOM 1198 O PRO A 78 -2.326 45.324 -27.226 1.00 0.00 O ATOM 1199 CB PRO A 78 0.154 46.430 -25.577 1.00 0.00 C ATOM 1200 CG PRO A 78 1.624 46.369 -25.980 1.00 0.00 C ATOM 1201 CD PRO A 78 1.589 45.510 -27.243 1.00 0.00 C ATOM 0 HA PRO A 78 -0.177 44.324 -25.095 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.390 47.194 -26.133 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.031 46.658 -24.518 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.032 47.361 -26.176 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.239 45.919 -25.201 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.465 46.129 -28.132 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.521 44.959 -27.365 1.00 0.00 H new ATOM 1209 N PRO A 79 -2.652 44.512 -25.148 1.00 0.00 N ATOM 1210 CA PRO A 79 -2.265 44.197 -23.764 1.00 0.00 C ATOM 1211 C PRO A 79 -1.634 42.801 -23.560 1.00 0.00 C ATOM 1212 O PRO A 79 -1.438 42.387 -22.414 1.00 0.00 O ATOM 1213 CB PRO A 79 -3.570 44.357 -22.969 1.00 0.00 C ATOM 1214 CG PRO A 79 -4.625 43.870 -23.958 1.00 0.00 C ATOM 1215 CD PRO A 79 -4.100 44.403 -25.289 1.00 0.00 C ATOM 0 HA PRO A 79 -1.466 44.861 -23.433 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.564 43.761 -22.056 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.740 45.392 -22.673 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.708 42.783 -23.960 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -5.614 44.265 -23.724 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -4.361 43.731 -26.106 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.542 45.372 -25.520 1.00 0.00 H new ATOM 1223 N ARG A 80 -1.350 42.045 -24.632 1.00 0.00 N ATOM 1224 CA ARG A 80 -0.689 40.720 -24.611 1.00 0.00 C ATOM 1225 C ARG A 80 0.752 40.774 -25.165 1.00 0.00 C ATOM 1226 O ARG A 80 1.358 41.869 -25.167 1.00 0.00 O ATOM 1227 CB ARG A 80 -1.580 39.686 -25.341 1.00 0.00 C ATOM 1228 CG ARG A 80 -3.046 39.576 -24.867 1.00 0.00 C ATOM 1229 CD ARG A 80 -3.233 38.955 -23.470 1.00 0.00 C ATOM 1230 NE ARG A 80 -2.824 39.874 -22.397 1.00 0.00 N ATOM 1231 CZ ARG A 80 -3.072 39.782 -21.110 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -3.726 38.805 -20.566 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -2.670 40.711 -20.302 1.00 0.00 N ATOM 1234 OXT ARG A 80 1.300 39.711 -25.535 1.00 0.00 O ATOM 0 H ARG A 80 -1.582 42.348 -25.578 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.580 40.399 -23.575 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -1.583 39.930 -26.403 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.115 38.705 -25.240 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.488 40.572 -24.867 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.602 38.980 -25.591 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.279 38.681 -23.333 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.651 38.036 -23.401 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.279 40.685 -22.689 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.083 38.045 -21.145 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.884 38.795 -19.558 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.160 41.516 -20.664 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.864 40.637 -19.303 1.00 0.00 H new TER 1248 ARG A 80