USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 815 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 62 CYS SG : rot -117:sc= 1.57 USER MOD Set 1.2: A 64 TYR OH : rot -112:sc= 0.0595 USER MOD Set 2.1: A 59 TYR OH : rot 30:sc= 1.19 USER MOD Set 2.2: A 106 THR OG1 : rot -134:sc= 1.01 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= -0.154 USER MOD Set 3.2: A 31 GLN : amide:sc= 0.716 K(o=0.56,f=-5.5!) USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.135) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.0886 (180deg=-0.157) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 59:sc= 1.27 USER MOD Single : A 17 SER OG : rot 80:sc= 1.23 USER MOD Single : A 22 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.2) USER MOD Single : A 37 SER OG : rot -75:sc= 1.26 USER MOD Single : A 44 SER OG : rot -111:sc= 0.311 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 80:sc= 0.47 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= 1.03 (180deg=0.547) USER MOD Single : A 65 GLN : amide:sc= -0.0484 X(o=-0.048,f=-0.057) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 69 THR OG1 : rot -3:sc= 0.35 USER MOD Single : A 72 SER OG : rot 79:sc= 1.39 USER MOD Single : A 74 MET CE :methyl 161:sc= -0.0511 (180deg=-0.454) USER MOD Single : A 76 ASN : amide:sc= -0.0381 K(o=-0.038,f=-1.5!) USER MOD Single : A 78 ASN : amide:sc= 0.00199 K(o=0.002,f=-4.8!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 1.48 K(o=1.5,f=-8.3!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 1.53 K(o=1.5,f=-1.7!) USER MOD Single : A 98 LYS NZ :NH3+ 171:sc= 1.23 (180deg=1.13) USER MOD Single : A 102 LYS NZ :NH3+ -172:sc= 1.21 (180deg=1.09) USER MOD Single : A 103 SER OG : rot -44:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.047 -3.449 -5.035 1.00 0.00 N ATOM 2 CA MET A 1 10.411 -2.138 -5.101 1.00 0.00 C ATOM 3 C MET A 1 11.189 -1.108 -4.293 1.00 0.00 C ATOM 4 O MET A 1 12.219 -1.421 -3.696 1.00 0.00 O ATOM 5 CB MET A 1 8.969 -2.226 -4.606 1.00 0.00 C ATOM 6 CG MET A 1 8.059 -3.091 -5.466 1.00 0.00 C ATOM 7 SD MET A 1 6.370 -3.164 -4.838 1.00 0.00 S ATOM 8 CE MET A 1 6.585 -4.222 -3.410 1.00 0.00 C ATOM 0 H1 MET A 1 11.094 -3.860 -5.989 1.00 0.00 H new ATOM 0 H2 MET A 1 12.009 -3.349 -4.653 1.00 0.00 H new ATOM 0 H3 MET A 1 10.492 -4.073 -4.416 1.00 0.00 H new ATOM 0 HA MET A 1 10.408 -1.814 -6.142 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.970 -2.620 -3.590 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.553 -1.220 -4.557 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.047 -2.699 -6.483 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.467 -4.100 -5.518 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.609 -4.536 -3.039 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.166 -5.100 -3.692 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.111 -3.675 -2.628 1.00 0.00 H new ATOM 18 N ALA A 2 10.689 0.123 -4.276 1.00 0.00 N ATOM 19 CA ALA A 2 11.326 1.199 -3.525 1.00 0.00 C ATOM 20 C ALA A 2 11.241 0.947 -2.025 1.00 0.00 C ATOM 21 O ALA A 2 10.256 0.399 -1.532 1.00 0.00 O ATOM 22 CB ALA A 2 10.691 2.537 -3.874 1.00 0.00 C ATOM 0 H ALA A 2 9.843 0.401 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 2 12.379 1.227 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.177 3.330 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.810 2.729 -4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.630 2.512 -3.627 1.00 0.00 H new ATOM 28 N GLY A 3 12.281 1.352 -1.303 1.00 0.00 N ATOM 29 CA GLY A 3 12.323 1.177 0.144 1.00 0.00 C ATOM 30 C GLY A 3 13.038 2.340 0.819 1.00 0.00 C ATOM 31 O GLY A 3 13.050 3.458 0.302 1.00 0.00 O ATOM 0 H GLY A 3 13.106 1.804 -1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.308 1.096 0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.832 0.244 0.385 1.00 0.00 H new ATOM 35 N LEU A 4 13.633 2.071 1.976 1.00 0.00 N ATOM 36 CA LEU A 4 14.373 3.090 2.712 1.00 0.00 C ATOM 37 C LEU A 4 15.786 3.248 2.164 1.00 0.00 C ATOM 38 O LEU A 4 16.401 4.305 2.302 1.00 0.00 O ATOM 39 CB LEU A 4 14.433 2.729 4.201 1.00 0.00 C ATOM 40 CG LEU A 4 13.087 2.709 4.936 1.00 0.00 C ATOM 41 CD1 LEU A 4 13.295 2.232 6.367 1.00 0.00 C ATOM 42 CD2 LEU A 4 12.473 4.101 4.908 1.00 0.00 C ATOM 0 H LEU A 4 13.617 1.155 2.425 1.00 0.00 H new ATOM 0 HA LEU A 4 13.849 4.038 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 4 14.894 1.746 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 4 15.089 3.441 4.702 1.00 0.00 H new ATOM 0 HG LEU A 4 12.403 2.020 4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 4 12.338 2.218 6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 4 13.718 1.227 6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.978 2.909 6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 4 11.516 4.087 5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.145 4.805 5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.318 4.409 3.874 1.00 0.00 H new ATOM 54 N THR A 5 16.295 2.190 1.541 1.00 0.00 N ATOM 55 CA THR A 5 17.632 2.214 0.960 1.00 0.00 C ATOM 56 C THR A 5 17.579 2.022 -0.550 1.00 0.00 C ATOM 57 O THR A 5 18.549 2.302 -1.256 1.00 0.00 O ATOM 58 CB THR A 5 18.529 1.131 1.588 1.00 0.00 C ATOM 59 OG1 THR A 5 17.973 -0.164 1.326 1.00 0.00 O ATOM 60 CG2 THR A 5 18.640 1.337 3.091 1.00 0.00 C ATOM 0 H THR A 5 15.801 1.305 1.426 1.00 0.00 H new ATOM 0 HA THR A 5 18.060 3.193 1.174 1.00 0.00 H new ATOM 0 HB THR A 5 19.523 1.203 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 5 18.545 -0.852 1.724 1.00 0.00 H new ATOM 0 HG21 THR A 5 19.277 0.563 3.518 1.00 0.00 H new ATOM 0 HG22 THR A 5 19.074 2.316 3.293 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.649 1.280 3.540 1.00 0.00 H new ATOM 68 N VAL A 6 16.442 1.542 -1.042 1.00 0.00 N ATOM 69 CA VAL A 6 16.272 1.279 -2.466 1.00 0.00 C ATOM 70 C VAL A 6 15.533 2.420 -3.152 1.00 0.00 C ATOM 71 O VAL A 6 14.395 2.735 -2.802 1.00 0.00 O ATOM 72 CB VAL A 6 15.496 -0.034 -2.678 1.00 0.00 C ATOM 73 CG1 VAL A 6 15.278 -0.290 -4.162 1.00 0.00 C ATOM 74 CG2 VAL A 6 16.247 -1.190 -2.036 1.00 0.00 C ATOM 0 H VAL A 6 15.623 1.327 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 6 17.265 1.191 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 6 14.519 0.053 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.728 -1.222 -4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.707 0.532 -4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.243 -0.364 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.692 -2.115 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.234 -1.279 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.354 -1.005 -0.967 1.00 0.00 H new ATOM 84 N ARG A 7 16.185 3.037 -4.132 1.00 0.00 N ATOM 85 CA ARG A 7 15.574 4.114 -4.900 1.00 0.00 C ATOM 86 C ARG A 7 14.930 3.585 -6.176 1.00 0.00 C ATOM 87 O ARG A 7 15.592 2.954 -7.000 1.00 0.00 O ATOM 88 CB ARG A 7 16.608 5.171 -5.258 1.00 0.00 C ATOM 89 CG ARG A 7 16.072 6.344 -6.063 1.00 0.00 C ATOM 90 CD ARG A 7 17.133 7.344 -6.350 1.00 0.00 C ATOM 91 NE ARG A 7 16.630 8.458 -7.137 1.00 0.00 N ATOM 92 CZ ARG A 7 17.385 9.480 -7.586 1.00 0.00 C ATOM 93 NH1 ARG A 7 18.671 9.514 -7.318 1.00 0.00 N ATOM 94 NH2 ARG A 7 16.831 10.447 -8.296 1.00 0.00 N ATOM 0 H ARG A 7 17.139 2.808 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 7 14.800 4.562 -4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 7 17.050 5.553 -4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 7 17.410 4.697 -5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.652 5.980 -7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.261 6.822 -5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 7 17.542 7.718 -5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 7 17.951 6.862 -6.885 1.00 0.00 H new ATOM 0 HE ARG A 7 15.636 8.467 -7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 7 19.098 8.767 -6.770 1.00 0.00 H new ATOM 0 HH12 ARG A 7 19.242 10.288 -7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.833 10.419 -8.504 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.402 11.221 -8.636 1.00 0.00 H new ATOM 108 N ASP A 8 13.637 3.846 -6.332 1.00 0.00 N ATOM 109 CA ASP A 8 12.909 3.425 -7.523 1.00 0.00 C ATOM 110 C ASP A 8 11.727 4.345 -7.800 1.00 0.00 C ATOM 111 O ASP A 8 10.664 4.205 -7.195 1.00 0.00 O ATOM 112 CB ASP A 8 12.417 1.984 -7.371 1.00 0.00 C ATOM 113 CG ASP A 8 11.736 1.454 -8.625 1.00 0.00 C ATOM 114 OD1 ASP A 8 11.239 2.249 -9.388 1.00 0.00 O ATOM 115 OD2 ASP A 8 11.718 0.261 -8.808 1.00 0.00 O ATOM 0 H ASP A 8 13.071 4.348 -5.648 1.00 0.00 H new ATOM 0 HA ASP A 8 13.596 3.481 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.262 1.341 -7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.720 1.930 -6.535 1.00 0.00 H new ATOM 120 N PRO A 9 11.919 5.286 -8.718 1.00 0.00 N ATOM 121 CA PRO A 9 10.925 6.323 -8.971 1.00 0.00 C ATOM 122 C PRO A 9 9.732 5.768 -9.738 1.00 0.00 C ATOM 123 O PRO A 9 8.642 6.339 -9.708 1.00 0.00 O ATOM 124 CB PRO A 9 11.702 7.349 -9.802 1.00 0.00 C ATOM 125 CG PRO A 9 12.772 6.550 -10.463 1.00 0.00 C ATOM 126 CD PRO A 9 13.178 5.537 -9.426 1.00 0.00 C ATOM 0 HA PRO A 9 10.502 6.746 -8.060 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.059 7.837 -10.535 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.122 8.134 -9.174 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.405 6.067 -11.368 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.613 7.178 -10.756 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.577 4.629 -9.879 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.948 5.925 -8.759 1.00 0.00 H new ATOM 134 N ALA A 10 9.945 4.650 -10.425 1.00 0.00 N ATOM 135 CA ALA A 10 8.868 3.971 -11.135 1.00 0.00 C ATOM 136 C ALA A 10 7.808 3.459 -10.168 1.00 0.00 C ATOM 137 O ALA A 10 6.610 3.584 -10.423 1.00 0.00 O ATOM 138 CB ALA A 10 9.423 2.824 -11.967 1.00 0.00 C ATOM 0 H ALA A 10 10.855 4.195 -10.505 1.00 0.00 H new ATOM 0 HA ALA A 10 8.396 4.693 -11.801 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.607 2.327 -12.491 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.137 3.213 -12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.923 2.109 -11.314 1.00 0.00 H new ATOM 144 N VAL A 11 8.255 2.882 -9.058 1.00 0.00 N ATOM 145 CA VAL A 11 7.350 2.457 -7.997 1.00 0.00 C ATOM 146 C VAL A 11 6.720 3.654 -7.298 1.00 0.00 C ATOM 147 O VAL A 11 5.529 3.648 -6.987 1.00 0.00 O ATOM 148 CB VAL A 11 8.104 1.600 -6.963 1.00 0.00 C ATOM 149 CG1 VAL A 11 7.229 1.342 -5.745 1.00 0.00 C ATOM 150 CG2 VAL A 11 8.545 0.290 -7.598 1.00 0.00 C ATOM 0 H VAL A 11 9.240 2.698 -8.870 1.00 0.00 H new ATOM 0 HA VAL A 11 6.558 1.864 -8.455 1.00 0.00 H new ATOM 0 HB VAL A 11 8.990 2.143 -6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.778 0.735 -5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.956 2.292 -5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.326 0.814 -6.051 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.078 -0.311 -6.861 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.670 -0.257 -7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.204 0.498 -8.441 1.00 0.00 H new ATOM 160 N ASP A 12 7.526 4.682 -7.054 1.00 0.00 N ATOM 161 CA ASP A 12 7.047 5.893 -6.398 1.00 0.00 C ATOM 162 C ASP A 12 5.889 6.515 -7.168 1.00 0.00 C ATOM 163 O ASP A 12 4.915 6.980 -6.576 1.00 0.00 O ATOM 164 CB ASP A 12 8.180 6.912 -6.257 1.00 0.00 C ATOM 165 CG ASP A 12 9.212 6.510 -5.212 1.00 0.00 C ATOM 166 OD1 ASP A 12 8.916 5.654 -4.412 1.00 0.00 O ATOM 167 OD2 ASP A 12 10.286 7.062 -5.224 1.00 0.00 O ATOM 0 H ASP A 12 8.515 4.700 -7.301 1.00 0.00 H new ATOM 0 HA ASP A 12 6.692 5.613 -5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.675 7.034 -7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.759 7.881 -5.990 1.00 0.00 H new ATOM 172 N ARG A 13 6.001 6.521 -8.492 1.00 0.00 N ATOM 173 CA ARG A 13 4.966 7.091 -9.346 1.00 0.00 C ATOM 174 C ARG A 13 3.801 6.125 -9.518 1.00 0.00 C ATOM 175 O ARG A 13 2.655 6.544 -9.686 1.00 0.00 O ATOM 176 CB ARG A 13 5.534 7.444 -10.712 1.00 0.00 C ATOM 177 CG ARG A 13 6.526 8.597 -10.714 1.00 0.00 C ATOM 178 CD ARG A 13 6.941 8.962 -12.093 1.00 0.00 C ATOM 179 NE ARG A 13 5.868 9.612 -12.828 1.00 0.00 N ATOM 180 CZ ARG A 13 5.853 9.789 -14.164 1.00 0.00 C ATOM 181 NH1 ARG A 13 6.859 9.360 -14.894 1.00 0.00 N ATOM 182 NH2 ARG A 13 4.828 10.393 -14.739 1.00 0.00 N ATOM 0 H ARG A 13 6.799 6.137 -8.997 1.00 0.00 H new ATOM 0 HA ARG A 13 4.602 7.997 -8.860 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.023 6.562 -11.125 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.709 7.692 -11.379 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.078 9.463 -10.227 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.405 8.322 -10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.805 9.626 -12.049 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.255 8.065 -12.627 1.00 0.00 H new ATOM 0 HE ARG A 13 5.070 9.958 -12.295 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.650 8.894 -14.449 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.849 9.493 -15.905 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.048 10.725 -14.172 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.817 10.527 -15.750 1.00 0.00 H new ATOM 196 N SER A 14 4.100 4.831 -9.476 1.00 0.00 N ATOM 197 CA SER A 14 3.067 3.804 -9.540 1.00 0.00 C ATOM 198 C SER A 14 2.153 3.865 -8.323 1.00 0.00 C ATOM 199 O SER A 14 0.935 3.735 -8.442 1.00 0.00 O ATOM 200 CB SER A 14 3.702 2.431 -9.638 1.00 0.00 C ATOM 201 OG SER A 14 4.381 2.277 -10.854 1.00 0.00 O ATOM 0 H SER A 14 5.050 4.468 -9.398 1.00 0.00 H new ATOM 0 HA SER A 14 2.464 3.988 -10.429 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.396 2.287 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.933 1.664 -9.547 1.00 0.00 H new ATOM 0 HG SER A 14 5.079 2.961 -10.928 1.00 0.00 H new ATOM 207 N LEU A 15 2.748 4.065 -7.152 1.00 0.00 N ATOM 208 CA LEU A 15 1.985 4.187 -5.915 1.00 0.00 C ATOM 209 C LEU A 15 1.194 5.488 -5.883 1.00 0.00 C ATOM 210 O LEU A 15 0.209 5.610 -5.154 1.00 0.00 O ATOM 211 CB LEU A 15 2.924 4.122 -4.704 1.00 0.00 C ATOM 212 CG LEU A 15 3.607 2.770 -4.464 1.00 0.00 C ATOM 213 CD1 LEU A 15 4.606 2.901 -3.322 1.00 0.00 C ATOM 214 CD2 LEU A 15 2.553 1.718 -4.150 1.00 0.00 C ATOM 0 H LEU A 15 3.758 4.146 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 15 1.282 3.355 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.696 4.882 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.355 4.384 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 15 4.146 2.461 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.092 1.940 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.358 3.647 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.085 3.210 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.038 0.757 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.002 2.010 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.863 1.632 -4.989 1.00 0.00 H new ATOM 226 N ARG A 16 1.630 6.460 -6.677 1.00 0.00 N ATOM 227 CA ARG A 16 0.943 7.743 -6.767 1.00 0.00 C ATOM 228 C ARG A 16 -0.046 7.758 -7.926 1.00 0.00 C ATOM 229 O ARG A 16 -0.734 8.753 -8.154 1.00 0.00 O ATOM 230 CB ARG A 16 1.944 8.875 -6.944 1.00 0.00 C ATOM 231 CG ARG A 16 2.754 9.212 -5.702 1.00 0.00 C ATOM 232 CD ARG A 16 3.932 10.057 -6.028 1.00 0.00 C ATOM 233 NE ARG A 16 4.545 10.616 -4.833 1.00 0.00 N ATOM 234 CZ ARG A 16 5.329 9.927 -3.982 1.00 0.00 C ATOM 235 NH1 ARG A 16 5.586 8.657 -4.206 1.00 0.00 N ATOM 236 NH2 ARG A 16 5.840 10.527 -2.921 1.00 0.00 N ATOM 0 H ARG A 16 2.457 6.383 -7.268 1.00 0.00 H new ATOM 0 HA ARG A 16 0.395 7.887 -5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.631 8.611 -7.748 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.408 9.768 -7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.120 9.732 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.088 8.291 -5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.668 9.462 -6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.626 10.866 -6.692 1.00 0.00 H new ATOM 0 HE ARG A 16 4.369 11.599 -4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.192 8.193 -5.025 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.180 8.135 -3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.641 11.512 -2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.434 10.005 -2.277 1.00 0.00 H new ATOM 250 N SER A 17 -0.113 6.649 -8.654 1.00 0.00 N ATOM 251 CA SER A 17 -1.060 6.511 -9.755 1.00 0.00 C ATOM 252 C SER A 17 -2.396 5.967 -9.267 1.00 0.00 C ATOM 253 O SER A 17 -2.454 4.913 -8.633 1.00 0.00 O ATOM 254 CB SER A 17 -0.491 5.597 -10.822 1.00 0.00 C ATOM 255 OG SER A 17 0.649 6.161 -11.411 1.00 0.00 O ATOM 0 H SER A 17 0.478 5.832 -8.502 1.00 0.00 H new ATOM 0 HA SER A 17 -1.228 7.501 -10.180 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.238 4.632 -10.382 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.245 5.411 -11.586 1.00 0.00 H new ATOM 0 HG SER A 17 1.424 6.017 -10.828 1.00 0.00 H new ATOM 261 N VAL A 18 -3.469 6.692 -9.565 1.00 0.00 N ATOM 262 CA VAL A 18 -4.800 6.316 -9.105 1.00 0.00 C ATOM 263 C VAL A 18 -5.752 6.114 -10.277 1.00 0.00 C ATOM 264 O VAL A 18 -5.812 6.938 -11.189 1.00 0.00 O ATOM 265 CB VAL A 18 -5.367 7.399 -8.168 1.00 0.00 C ATOM 266 CG1 VAL A 18 -6.778 7.038 -7.727 1.00 0.00 C ATOM 267 CG2 VAL A 18 -4.454 7.572 -6.964 1.00 0.00 C ATOM 0 H VAL A 18 -3.442 7.545 -10.124 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.709 5.374 -8.563 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.414 8.344 -8.709 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.162 7.814 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.423 6.955 -8.602 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.761 6.086 -7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.861 8.339 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.384 6.629 -6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.461 7.872 -7.300 1.00 0.00 H new ATOM 277 N PHE A 19 -6.495 5.013 -10.246 1.00 0.00 N ATOM 278 CA PHE A 19 -7.476 4.722 -11.284 1.00 0.00 C ATOM 279 C PHE A 19 -8.846 5.281 -10.920 1.00 0.00 C ATOM 280 O PHE A 19 -9.369 5.013 -9.839 1.00 0.00 O ATOM 281 CB PHE A 19 -7.581 3.213 -11.513 1.00 0.00 C ATOM 282 CG PHE A 19 -8.546 2.830 -12.598 1.00 0.00 C ATOM 283 CD1 PHE A 19 -8.277 3.135 -13.924 1.00 0.00 C ATOM 284 CD2 PHE A 19 -9.724 2.165 -12.296 1.00 0.00 C ATOM 285 CE1 PHE A 19 -9.165 2.783 -14.924 1.00 0.00 C ATOM 286 CE2 PHE A 19 -10.612 1.810 -13.293 1.00 0.00 C ATOM 287 CZ PHE A 19 -10.332 2.120 -14.608 1.00 0.00 C ATOM 0 H PHE A 19 -6.436 4.307 -9.512 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.138 5.203 -12.202 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.594 2.823 -11.763 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.886 2.734 -10.583 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.364 3.653 -14.178 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.951 1.921 -11.269 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.944 3.027 -15.953 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.525 1.290 -13.043 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.026 1.844 -15.388 1.00 0.00 H new ATOM 297 N VAL A 20 -9.422 6.060 -11.830 1.00 0.00 N ATOM 298 CA VAL A 20 -10.734 6.657 -11.607 1.00 0.00 C ATOM 299 C VAL A 20 -11.734 6.196 -12.659 1.00 0.00 C ATOM 300 O VAL A 20 -11.515 6.373 -13.858 1.00 0.00 O ATOM 301 CB VAL A 20 -10.634 8.193 -11.637 1.00 0.00 C ATOM 302 CG1 VAL A 20 -12.000 8.821 -11.402 1.00 0.00 C ATOM 303 CG2 VAL A 20 -9.636 8.668 -10.591 1.00 0.00 C ATOM 0 H VAL A 20 -9.001 6.293 -12.729 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.084 6.333 -10.627 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.284 8.505 -12.621 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.910 9.907 -11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.689 8.496 -12.182 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.381 8.510 -10.429 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.571 9.756 -10.618 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.966 8.349 -9.602 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.656 8.240 -10.802 1.00 0.00 H new ATOM 313 N GLY A 21 -12.832 5.603 -12.204 1.00 0.00 N ATOM 314 CA GLY A 21 -13.891 5.157 -13.103 1.00 0.00 C ATOM 315 C GLY A 21 -15.166 5.963 -12.894 1.00 0.00 C ATOM 316 O GLY A 21 -15.196 6.900 -12.095 1.00 0.00 O ATOM 0 H GLY A 21 -13.013 5.420 -11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.560 5.256 -14.137 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.094 4.100 -12.934 1.00 0.00 H new ATOM 320 N ASN A 22 -16.219 5.594 -13.615 1.00 0.00 N ATOM 321 CA ASN A 22 -17.501 6.279 -13.507 1.00 0.00 C ATOM 322 C ASN A 22 -17.347 7.776 -13.746 1.00 0.00 C ATOM 323 O ASN A 22 -17.919 8.591 -13.023 1.00 0.00 O ATOM 324 CB ASN A 22 -18.134 6.017 -12.153 1.00 0.00 C ATOM 325 CG ASN A 22 -18.502 4.572 -11.957 1.00 0.00 C ATOM 326 OD1 ASN A 22 -18.556 3.797 -12.918 1.00 0.00 O ATOM 327 ND2 ASN A 22 -18.755 4.195 -10.730 1.00 0.00 N ATOM 0 H ASN A 22 -16.209 4.822 -14.282 1.00 0.00 H new ATOM 0 HA ASN A 22 -18.159 5.882 -14.280 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.442 6.322 -11.368 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -19.027 6.633 -12.048 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -19.009 3.226 -10.536 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -18.698 4.870 -9.967 1.00 0.00 H new ATOM 334 N ILE A 23 -16.572 8.130 -14.765 1.00 0.00 N ATOM 335 CA ILE A 23 -16.353 9.530 -15.110 1.00 0.00 C ATOM 336 C ILE A 23 -17.365 10.007 -16.144 1.00 0.00 C ATOM 337 O ILE A 23 -17.487 9.424 -17.222 1.00 0.00 O ATOM 338 CB ILE A 23 -14.927 9.747 -15.648 1.00 0.00 C ATOM 339 CG1 ILE A 23 -13.894 9.428 -14.564 1.00 0.00 C ATOM 340 CG2 ILE A 23 -14.757 11.173 -16.146 1.00 0.00 C ATOM 341 CD1 ILE A 23 -12.465 9.446 -15.058 1.00 0.00 C ATOM 0 H ILE A 23 -16.085 7.466 -15.367 1.00 0.00 H new ATOM 0 HA ILE A 23 -16.482 10.113 -14.198 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.766 9.070 -16.487 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.997 10.149 -13.753 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.112 8.445 -14.146 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.743 11.308 -16.523 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -15.471 11.366 -16.947 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -14.935 11.868 -15.326 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.792 9.211 -14.233 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.344 8.705 -15.848 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.228 10.435 -15.449 1.00 0.00 H new ATOM 353 N PRO A 24 -18.088 11.070 -15.811 1.00 0.00 N ATOM 354 CA PRO A 24 -19.025 11.683 -16.745 1.00 0.00 C ATOM 355 C PRO A 24 -18.340 12.036 -18.059 1.00 0.00 C ATOM 356 O PRO A 24 -17.333 12.745 -18.075 1.00 0.00 O ATOM 357 CB PRO A 24 -19.489 12.936 -15.995 1.00 0.00 C ATOM 358 CG PRO A 24 -19.330 12.581 -14.556 1.00 0.00 C ATOM 359 CD PRO A 24 -18.063 11.769 -14.509 1.00 0.00 C ATOM 0 HA PRO A 24 -19.849 11.026 -17.024 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.886 13.805 -16.260 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -20.524 13.182 -16.233 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -19.254 13.472 -13.933 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.183 12.008 -14.191 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.180 12.399 -14.403 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.059 11.070 -13.672 1.00 0.00 H new ATOM 367 N TYR A 25 -18.891 11.538 -19.160 1.00 0.00 N ATOM 368 CA TYR A 25 -18.288 11.730 -20.474 1.00 0.00 C ATOM 369 C TYR A 25 -18.309 13.198 -20.881 1.00 0.00 C ATOM 370 O TYR A 25 -17.490 13.641 -21.686 1.00 0.00 O ATOM 371 CB TYR A 25 -19.006 10.878 -21.523 1.00 0.00 C ATOM 372 CG TYR A 25 -20.326 11.458 -21.980 1.00 0.00 C ATOM 373 CD1 TYR A 25 -20.365 12.321 -23.066 1.00 0.00 C ATOM 374 CD2 TYR A 25 -21.497 11.128 -21.315 1.00 0.00 C ATOM 375 CE1 TYR A 25 -21.571 12.850 -23.484 1.00 0.00 C ATOM 376 CE2 TYR A 25 -22.702 11.657 -21.733 1.00 0.00 C ATOM 377 CZ TYR A 25 -22.741 12.515 -22.813 1.00 0.00 C ATOM 378 OH TYR A 25 -23.942 13.043 -23.229 1.00 0.00 O ATOM 0 H TYR A 25 -19.756 10.997 -19.169 1.00 0.00 H new ATOM 0 HA TYR A 25 -17.248 11.411 -20.414 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -18.354 10.757 -22.388 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.179 9.883 -21.113 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -19.453 12.579 -23.584 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -21.467 10.457 -20.469 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -21.604 13.521 -24.329 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -23.614 11.399 -21.215 1.00 0.00 H new ATOM 0 HH TYR A 25 -24.663 12.709 -22.655 1.00 0.00 H new ATOM 388 N GLU A 26 -19.252 13.948 -20.319 1.00 0.00 N ATOM 389 CA GLU A 26 -19.403 15.361 -20.648 1.00 0.00 C ATOM 390 C GLU A 26 -18.398 16.215 -19.885 1.00 0.00 C ATOM 391 O GLU A 26 -18.236 17.402 -20.168 1.00 0.00 O ATOM 392 CB GLU A 26 -20.826 15.831 -20.338 1.00 0.00 C ATOM 393 CG GLU A 26 -21.170 15.859 -18.856 1.00 0.00 C ATOM 394 CD GLU A 26 -21.679 14.539 -18.348 1.00 0.00 C ATOM 395 OE1 GLU A 26 -21.397 13.539 -18.963 1.00 0.00 O ATOM 396 OE2 GLU A 26 -22.351 14.531 -17.344 1.00 0.00 O ATOM 0 H GLU A 26 -19.923 13.601 -19.634 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.212 15.477 -21.715 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -20.963 16.831 -20.749 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -21.531 15.176 -20.850 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.284 16.144 -18.288 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.924 16.626 -18.678 1.00 0.00 H new ATOM 403 N ALA A 27 -17.726 15.603 -18.915 1.00 0.00 N ATOM 404 CA ALA A 27 -16.721 16.301 -18.122 1.00 0.00 C ATOM 405 C ALA A 27 -15.367 16.295 -18.818 1.00 0.00 C ATOM 406 O ALA A 27 -14.973 15.296 -19.422 1.00 0.00 O ATOM 407 CB ALA A 27 -16.609 15.675 -16.740 1.00 0.00 C ATOM 0 H ALA A 27 -17.860 14.625 -18.659 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.039 17.338 -18.015 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -15.855 16.207 -16.160 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.571 15.741 -16.232 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.321 14.628 -16.837 1.00 0.00 H new ATOM 413 N THR A 28 -14.656 17.414 -18.730 1.00 0.00 N ATOM 414 CA THR A 28 -13.333 17.531 -19.332 1.00 0.00 C ATOM 415 C THR A 28 -12.242 17.143 -18.343 1.00 0.00 C ATOM 416 O THR A 28 -12.492 17.022 -17.144 1.00 0.00 O ATOM 417 CB THR A 28 -13.082 18.961 -19.845 1.00 0.00 C ATOM 418 OG1 THR A 28 -13.008 19.864 -18.733 1.00 0.00 O ATOM 419 CG2 THR A 28 -14.203 19.399 -20.774 1.00 0.00 C ATOM 0 H THR A 28 -14.974 18.254 -18.247 1.00 0.00 H new ATOM 0 HA THR A 28 -13.301 16.843 -20.177 1.00 0.00 H new ATOM 0 HB THR A 28 -12.142 18.973 -20.396 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.847 20.774 -19.060 1.00 0.00 H new ATOM 0 HG21 THR A 28 -14.009 20.412 -21.127 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.255 18.722 -21.626 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.151 19.378 -20.236 1.00 0.00 H new ATOM 427 N GLU A 29 -11.030 16.948 -18.853 1.00 0.00 N ATOM 428 CA GLU A 29 -9.895 16.583 -18.014 1.00 0.00 C ATOM 429 C GLU A 29 -9.592 17.673 -16.993 1.00 0.00 C ATOM 430 O GLU A 29 -9.255 17.385 -15.845 1.00 0.00 O ATOM 431 CB GLU A 29 -8.658 16.319 -18.875 1.00 0.00 C ATOM 432 CG GLU A 29 -8.720 15.032 -19.685 1.00 0.00 C ATOM 433 CD GLU A 29 -7.505 14.824 -20.547 1.00 0.00 C ATOM 434 OE1 GLU A 29 -6.993 15.790 -21.060 1.00 0.00 O ATOM 435 OE2 GLU A 29 -7.090 13.699 -20.692 1.00 0.00 O ATOM 0 H GLU A 29 -10.809 17.037 -19.845 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.158 15.672 -17.476 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.520 17.157 -19.558 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.781 16.286 -18.229 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.827 14.186 -19.006 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.609 15.048 -20.316 1.00 0.00 H new ATOM 442 N GLU A 30 -9.714 18.926 -17.419 1.00 0.00 N ATOM 443 CA GLU A 30 -9.386 20.061 -16.565 1.00 0.00 C ATOM 444 C GLU A 30 -10.400 20.213 -15.438 1.00 0.00 C ATOM 445 O GLU A 30 -10.046 20.570 -14.315 1.00 0.00 O ATOM 446 CB GLU A 30 -9.327 21.349 -17.389 1.00 0.00 C ATOM 447 CG GLU A 30 -8.194 21.395 -18.404 1.00 0.00 C ATOM 448 CD GLU A 30 -6.838 21.238 -17.774 1.00 0.00 C ATOM 449 OE1 GLU A 30 -6.566 21.920 -16.816 1.00 0.00 O ATOM 450 OE2 GLU A 30 -6.073 20.434 -18.253 1.00 0.00 O ATOM 0 H GLU A 30 -10.038 19.181 -18.352 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.407 19.874 -16.123 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.274 21.474 -17.914 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.225 22.196 -16.710 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.341 20.605 -19.141 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.232 22.343 -18.941 1.00 0.00 H new ATOM 457 N GLN A 31 -11.664 19.940 -15.746 1.00 0.00 N ATOM 458 CA GLN A 31 -12.713 19.925 -14.733 1.00 0.00 C ATOM 459 C GLN A 31 -12.468 18.832 -13.702 1.00 0.00 C ATOM 460 O GLN A 31 -12.699 19.028 -12.508 1.00 0.00 O ATOM 461 CB GLN A 31 -14.084 19.731 -15.385 1.00 0.00 C ATOM 462 CG GLN A 31 -14.576 20.935 -16.171 1.00 0.00 C ATOM 463 CD GLN A 31 -15.881 20.660 -16.893 1.00 0.00 C ATOM 464 OE1 GLN A 31 -16.070 19.591 -17.479 1.00 0.00 O ATOM 465 NE2 GLN A 31 -16.792 21.627 -16.855 1.00 0.00 N ATOM 0 H GLN A 31 -11.987 19.726 -16.690 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.695 20.887 -14.222 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.038 18.870 -16.052 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.813 19.495 -14.609 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.710 21.778 -15.493 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.817 21.227 -16.897 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.593 22.496 -16.358 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.690 21.501 -17.322 1.00 0.00 H new ATOM 474 N LEU A 32 -11.999 17.679 -14.168 1.00 0.00 N ATOM 475 CA LEU A 32 -11.675 16.568 -13.281 1.00 0.00 C ATOM 476 C LEU A 32 -10.468 16.892 -12.411 1.00 0.00 C ATOM 477 O LEU A 32 -10.415 16.513 -11.241 1.00 0.00 O ATOM 478 CB LEU A 32 -11.398 15.301 -14.099 1.00 0.00 C ATOM 479 CG LEU A 32 -12.606 14.707 -14.835 1.00 0.00 C ATOM 480 CD1 LEU A 32 -12.132 13.635 -15.808 1.00 0.00 C ATOM 481 CD2 LEU A 32 -13.585 14.131 -13.823 1.00 0.00 C ATOM 0 H LEU A 32 -11.835 17.490 -15.157 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.532 16.399 -12.630 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.624 15.526 -14.832 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.993 14.541 -13.431 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.116 15.486 -15.402 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.990 13.213 -16.331 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.448 14.078 -16.532 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.618 12.846 -15.258 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.443 13.709 -14.346 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.093 13.349 -13.245 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.922 14.921 -13.152 1.00 0.00 H new ATOM 493 N LYS A 33 -9.500 17.595 -12.988 1.00 0.00 N ATOM 494 CA LYS A 33 -8.338 18.058 -12.239 1.00 0.00 C ATOM 495 C LYS A 33 -8.750 18.959 -11.083 1.00 0.00 C ATOM 496 O LYS A 33 -8.191 18.878 -9.989 1.00 0.00 O ATOM 497 CB LYS A 33 -7.366 18.796 -13.161 1.00 0.00 C ATOM 498 CG LYS A 33 -6.607 17.896 -14.126 1.00 0.00 C ATOM 499 CD LYS A 33 -5.726 18.708 -15.064 1.00 0.00 C ATOM 500 CE LYS A 33 -5.064 17.823 -16.109 1.00 0.00 C ATOM 501 NZ LYS A 33 -4.255 18.613 -17.076 1.00 0.00 N ATOM 0 H LYS A 33 -9.497 17.857 -13.974 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.838 17.182 -11.826 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.921 19.537 -13.736 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.647 19.340 -12.549 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.992 17.193 -13.564 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.314 17.306 -14.708 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.326 19.472 -15.559 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.961 19.228 -14.488 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.425 17.092 -15.613 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.829 17.264 -16.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.835 17.974 -17.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.866 19.305 -17.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.498 19.113 -16.568 1.00 0.00 H new ATOM 515 N ASP A 34 -9.733 19.818 -11.330 1.00 0.00 N ATOM 516 CA ASP A 34 -10.199 20.761 -10.321 1.00 0.00 C ATOM 517 C ASP A 34 -10.730 20.034 -9.092 1.00 0.00 C ATOM 518 O ASP A 34 -10.394 20.382 -7.960 1.00 0.00 O ATOM 519 CB ASP A 34 -11.290 21.667 -10.896 1.00 0.00 C ATOM 520 CG ASP A 34 -10.749 22.695 -11.881 1.00 0.00 C ATOM 521 OD1 ASP A 34 -9.559 22.905 -11.896 1.00 0.00 O ATOM 522 OD2 ASP A 34 -11.530 23.260 -12.608 1.00 0.00 O ATOM 0 H ASP A 34 -10.223 19.880 -12.222 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.348 21.372 -10.021 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.040 21.053 -11.395 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.794 22.184 -10.079 1.00 0.00 H new ATOM 527 N ILE A 35 -11.560 19.023 -9.321 1.00 0.00 N ATOM 528 CA ILE A 35 -12.178 18.276 -8.232 1.00 0.00 C ATOM 529 C ILE A 35 -11.182 17.323 -7.584 1.00 0.00 C ATOM 530 O ILE A 35 -11.375 16.885 -6.450 1.00 0.00 O ATOM 531 CB ILE A 35 -13.398 17.482 -8.733 1.00 0.00 C ATOM 532 CG1 ILE A 35 -12.964 16.419 -9.747 1.00 0.00 C ATOM 533 CG2 ILE A 35 -14.427 18.419 -9.347 1.00 0.00 C ATOM 534 CD1 ILE A 35 -14.067 15.463 -10.138 1.00 0.00 C ATOM 0 H ILE A 35 -11.821 18.701 -10.253 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.507 19.001 -7.487 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.857 16.979 -7.882 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.592 16.916 -10.643 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.133 15.850 -9.330 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.283 17.841 -9.696 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.756 19.139 -8.598 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.980 18.949 -10.188 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.684 14.740 -10.858 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.424 14.938 -9.252 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.890 16.020 -10.586 1.00 0.00 H new ATOM 546 N PHE A 36 -10.116 17.004 -8.311 1.00 0.00 N ATOM 547 CA PHE A 36 -9.026 16.206 -7.763 1.00 0.00 C ATOM 548 C PHE A 36 -8.125 17.046 -6.866 1.00 0.00 C ATOM 549 O PHE A 36 -7.568 16.547 -5.888 1.00 0.00 O ATOM 550 CB PHE A 36 -8.197 15.588 -8.891 1.00 0.00 C ATOM 551 CG PHE A 36 -8.932 14.541 -9.679 1.00 0.00 C ATOM 552 CD1 PHE A 36 -8.486 14.158 -10.935 1.00 0.00 C ATOM 553 CD2 PHE A 36 -10.070 13.938 -9.166 1.00 0.00 C ATOM 554 CE1 PHE A 36 -9.161 13.195 -11.661 1.00 0.00 C ATOM 555 CE2 PHE A 36 -10.747 12.975 -9.889 1.00 0.00 C ATOM 556 CZ PHE A 36 -10.291 12.603 -11.138 1.00 0.00 C ATOM 0 H PHE A 36 -9.984 17.287 -9.282 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.467 15.410 -7.163 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.874 16.379 -9.568 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.296 15.145 -8.467 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.601 14.617 -11.350 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.432 14.224 -8.189 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.803 12.906 -12.638 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -11.632 12.513 -9.477 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.818 11.850 -11.704 1.00 0.00 H new ATOM 566 N SER A 37 -7.986 18.323 -7.205 1.00 0.00 N ATOM 567 CA SER A 37 -7.122 19.226 -6.453 1.00 0.00 C ATOM 568 C SER A 37 -7.673 19.479 -5.056 1.00 0.00 C ATOM 569 O SER A 37 -6.949 19.919 -4.163 1.00 0.00 O ATOM 570 CB SER A 37 -6.971 20.540 -7.193 1.00 0.00 C ATOM 571 OG SER A 37 -8.159 21.281 -7.149 1.00 0.00 O ATOM 0 H SER A 37 -8.461 18.757 -7.997 1.00 0.00 H new ATOM 0 HA SER A 37 -6.145 18.753 -6.354 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.160 21.119 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.696 20.348 -8.230 1.00 0.00 H new ATOM 0 HG SER A 37 -8.812 20.889 -7.766 1.00 0.00 H new ATOM 577 N GLU A 38 -8.959 19.199 -4.873 1.00 0.00 N ATOM 578 CA GLU A 38 -9.587 19.306 -3.561 1.00 0.00 C ATOM 579 C GLU A 38 -8.981 18.313 -2.578 1.00 0.00 C ATOM 580 O GLU A 38 -8.935 18.567 -1.374 1.00 0.00 O ATOM 581 CB GLU A 38 -11.096 19.074 -3.672 1.00 0.00 C ATOM 582 CG GLU A 38 -11.851 20.180 -4.395 1.00 0.00 C ATOM 583 CD GLU A 38 -13.339 19.970 -4.394 1.00 0.00 C ATOM 584 OE1 GLU A 38 -13.773 18.931 -3.956 1.00 0.00 O ATOM 585 OE2 GLU A 38 -14.044 20.849 -4.831 1.00 0.00 O ATOM 0 H GLU A 38 -9.587 18.896 -5.617 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.406 20.313 -3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.269 18.132 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.509 18.964 -2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.624 21.136 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.498 20.241 -5.425 1.00 0.00 H new ATOM 592 N VAL A 39 -8.518 17.182 -3.097 1.00 0.00 N ATOM 593 CA VAL A 39 -7.825 16.192 -2.282 1.00 0.00 C ATOM 594 C VAL A 39 -6.383 16.607 -2.018 1.00 0.00 C ATOM 595 O VAL A 39 -5.911 16.561 -0.882 1.00 0.00 O ATOM 596 CB VAL A 39 -7.841 14.818 -2.979 1.00 0.00 C ATOM 597 CG1 VAL A 39 -6.976 13.825 -2.219 1.00 0.00 C ATOM 598 CG2 VAL A 39 -9.271 14.312 -3.093 1.00 0.00 C ATOM 0 H VAL A 39 -8.610 16.928 -4.080 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.349 16.124 -1.329 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.428 14.925 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.999 12.860 -2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.950 14.191 -2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.358 13.711 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.275 13.340 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.703 14.215 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.861 15.018 -3.677 1.00 0.00 H new ATOM 608 N GLY A 40 -5.687 17.013 -3.075 1.00 0.00 N ATOM 609 CA GLY A 40 -4.300 17.448 -2.958 1.00 0.00 C ATOM 610 C GLY A 40 -3.709 17.776 -4.323 1.00 0.00 C ATOM 611 O GLY A 40 -4.366 17.611 -5.351 1.00 0.00 O ATOM 0 H GLY A 40 -6.061 17.050 -4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.244 18.326 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.710 16.665 -2.482 1.00 0.00 H new ATOM 615 N PRO A 41 -2.465 18.242 -4.326 1.00 0.00 N ATOM 616 CA PRO A 41 -1.785 18.603 -5.565 1.00 0.00 C ATOM 617 C PRO A 41 -1.736 17.425 -6.530 1.00 0.00 C ATOM 618 O PRO A 41 -1.457 16.295 -6.131 1.00 0.00 O ATOM 619 CB PRO A 41 -0.385 19.000 -5.087 1.00 0.00 C ATOM 620 CG PRO A 41 -0.594 19.461 -3.684 1.00 0.00 C ATOM 621 CD PRO A 41 -1.647 18.533 -3.139 1.00 0.00 C ATOM 0 HA PRO A 41 -2.286 19.398 -6.117 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.305 18.157 -5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.038 19.790 -5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.327 19.401 -3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.924 20.499 -3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.210 17.628 -2.716 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.232 19.004 -2.349 1.00 0.00 H new ATOM 629 N VAL A 42 -2.010 17.697 -7.801 1.00 0.00 N ATOM 630 CA VAL A 42 -2.035 16.654 -8.819 1.00 0.00 C ATOM 631 C VAL A 42 -0.906 16.838 -9.825 1.00 0.00 C ATOM 632 O VAL A 42 -0.740 17.917 -10.394 1.00 0.00 O ATOM 633 CB VAL A 42 -3.386 16.662 -9.560 1.00 0.00 C ATOM 634 CG1 VAL A 42 -3.401 15.603 -10.652 1.00 0.00 C ATOM 635 CG2 VAL A 42 -4.519 16.435 -8.572 1.00 0.00 C ATOM 0 H VAL A 42 -2.218 18.632 -8.151 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.900 15.697 -8.315 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.525 17.635 -10.032 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.363 15.623 -11.165 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.604 15.807 -11.367 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.247 14.620 -10.207 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.471 16.442 -9.102 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.385 15.472 -8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.514 17.228 -7.825 1.00 0.00 H new ATOM 645 N VAL A 43 -0.133 15.780 -10.041 1.00 0.00 N ATOM 646 CA VAL A 43 1.002 15.833 -10.954 1.00 0.00 C ATOM 647 C VAL A 43 0.543 15.770 -12.406 1.00 0.00 C ATOM 648 O VAL A 43 0.944 16.592 -13.229 1.00 0.00 O ATOM 649 CB VAL A 43 1.969 14.667 -10.673 1.00 0.00 C ATOM 650 CG1 VAL A 43 3.067 14.621 -11.726 1.00 0.00 C ATOM 651 CG2 VAL A 43 2.563 14.812 -9.281 1.00 0.00 C ATOM 0 H VAL A 43 -0.272 14.873 -9.595 1.00 0.00 H new ATOM 0 HA VAL A 43 1.515 16.781 -10.791 1.00 0.00 H new ATOM 0 HB VAL A 43 1.416 13.729 -10.720 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.741 13.792 -11.513 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.621 14.482 -12.711 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.626 15.557 -11.710 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.246 13.984 -9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.107 15.754 -9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.763 14.802 -8.541 1.00 0.00 H new ATOM 661 N SER A 44 -0.298 14.788 -12.713 1.00 0.00 N ATOM 662 CA SER A 44 -0.761 14.576 -14.079 1.00 0.00 C ATOM 663 C SER A 44 -2.107 13.863 -14.100 1.00 0.00 C ATOM 664 O SER A 44 -2.529 13.283 -13.099 1.00 0.00 O ATOM 665 CB SER A 44 0.261 13.770 -14.858 1.00 0.00 C ATOM 666 OG SER A 44 0.289 12.439 -14.421 1.00 0.00 O ATOM 0 H SER A 44 -0.673 14.126 -12.034 1.00 0.00 H new ATOM 0 HA SER A 44 -0.884 15.552 -14.547 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.022 13.803 -15.921 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.248 14.216 -14.740 1.00 0.00 H new ATOM 0 HG SER A 44 1.139 12.262 -13.966 1.00 0.00 H new ATOM 672 N PHE A 45 -2.777 13.909 -15.246 1.00 0.00 N ATOM 673 CA PHE A 45 -4.020 13.171 -15.437 1.00 0.00 C ATOM 674 C PHE A 45 -4.257 12.861 -16.910 1.00 0.00 C ATOM 675 O PHE A 45 -4.001 13.695 -17.778 1.00 0.00 O ATOM 676 CB PHE A 45 -5.204 13.964 -14.880 1.00 0.00 C ATOM 677 CG PHE A 45 -6.540 13.339 -15.164 1.00 0.00 C ATOM 678 CD1 PHE A 45 -6.918 12.162 -14.536 1.00 0.00 C ATOM 679 CD2 PHE A 45 -7.421 13.926 -16.060 1.00 0.00 C ATOM 680 CE1 PHE A 45 -8.148 11.586 -14.797 1.00 0.00 C ATOM 681 CE2 PHE A 45 -8.650 13.353 -16.322 1.00 0.00 C ATOM 682 CZ PHE A 45 -9.013 12.181 -15.689 1.00 0.00 C ATOM 0 H PHE A 45 -2.480 14.450 -16.058 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.932 12.229 -14.896 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.084 14.068 -13.802 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.187 14.969 -15.302 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.245 11.690 -13.836 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.143 14.842 -16.559 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.431 10.669 -14.301 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.327 13.821 -17.021 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.974 11.731 -15.893 1.00 0.00 H new ATOM 692 N ARG A 46 -4.748 11.658 -17.185 1.00 0.00 N ATOM 693 CA ARG A 46 -5.108 11.269 -18.543 1.00 0.00 C ATOM 694 C ARG A 46 -6.454 10.557 -18.574 1.00 0.00 C ATOM 695 O ARG A 46 -6.628 9.510 -17.951 1.00 0.00 O ATOM 696 CB ARG A 46 -4.043 10.361 -19.140 1.00 0.00 C ATOM 697 CG ARG A 46 -2.693 11.022 -19.367 1.00 0.00 C ATOM 698 CD ARG A 46 -2.746 12.014 -20.471 1.00 0.00 C ATOM 699 NE ARG A 46 -1.443 12.602 -20.735 1.00 0.00 N ATOM 700 CZ ARG A 46 -0.950 13.685 -20.103 1.00 0.00 C ATOM 701 NH1 ARG A 46 -1.662 14.286 -19.175 1.00 0.00 N ATOM 702 NH2 ARG A 46 0.250 14.144 -20.416 1.00 0.00 N ATOM 0 H ARG A 46 -4.906 10.934 -16.484 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.180 12.181 -19.136 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.905 9.504 -18.481 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.407 9.975 -20.092 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.370 11.515 -18.450 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.949 10.260 -19.598 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.116 11.531 -21.375 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.455 12.802 -20.217 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.861 12.164 -21.449 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.588 13.932 -18.933 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.289 15.106 -18.697 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.802 13.678 -21.136 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.623 14.964 -19.938 1.00 0.00 H new ATOM 716 N LEU A 47 -7.405 11.132 -19.303 1.00 0.00 N ATOM 717 CA LEU A 47 -8.724 10.529 -19.454 1.00 0.00 C ATOM 718 C LEU A 47 -8.801 9.680 -20.716 1.00 0.00 C ATOM 719 O LEU A 47 -8.532 10.161 -21.817 1.00 0.00 O ATOM 720 CB LEU A 47 -9.803 11.619 -19.497 1.00 0.00 C ATOM 721 CG LEU A 47 -11.243 11.122 -19.681 1.00 0.00 C ATOM 722 CD1 LEU A 47 -11.649 10.283 -18.477 1.00 0.00 C ATOM 723 CD2 LEU A 47 -12.172 12.314 -19.855 1.00 0.00 C ATOM 0 H LEU A 47 -7.286 12.016 -19.799 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.896 9.882 -18.594 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.751 12.192 -18.571 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.568 12.305 -20.311 1.00 0.00 H new ATOM 0 HG LEU A 47 -11.311 10.499 -20.573 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -12.672 9.930 -18.608 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -10.979 9.428 -18.387 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -11.587 10.889 -17.573 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.195 11.962 -19.986 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.117 12.950 -18.971 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.870 12.886 -20.733 1.00 0.00 H new ATOM 735 N VAL A 48 -9.169 8.414 -20.550 1.00 0.00 N ATOM 736 CA VAL A 48 -9.257 7.489 -21.673 1.00 0.00 C ATOM 737 C VAL A 48 -10.515 7.737 -22.495 1.00 0.00 C ATOM 738 O VAL A 48 -11.616 7.823 -21.952 1.00 0.00 O ATOM 739 CB VAL A 48 -9.256 6.034 -21.167 1.00 0.00 C ATOM 740 CG1 VAL A 48 -9.441 5.067 -22.327 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.961 5.744 -20.424 1.00 0.00 C ATOM 0 H VAL A 48 -9.411 8.005 -19.647 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.387 7.656 -22.309 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.090 5.899 -20.478 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.438 4.044 -21.952 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.391 5.269 -22.821 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.627 5.194 -23.040 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.968 4.713 -20.069 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.115 5.891 -21.096 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.870 6.420 -19.574 1.00 0.00 H new ATOM 751 N TYR A 49 -10.345 7.851 -23.808 1.00 0.00 N ATOM 752 CA TYR A 49 -11.458 8.148 -24.702 1.00 0.00 C ATOM 753 C TYR A 49 -11.322 7.397 -26.020 1.00 0.00 C ATOM 754 O TYR A 49 -10.237 6.933 -26.372 1.00 0.00 O ATOM 755 CB TYR A 49 -11.552 9.654 -24.957 1.00 0.00 C ATOM 756 CG TYR A 49 -10.395 10.211 -25.756 1.00 0.00 C ATOM 757 CD1 TYR A 49 -10.492 10.315 -27.136 1.00 0.00 C ATOM 758 CD2 TYR A 49 -9.237 10.618 -25.110 1.00 0.00 C ATOM 759 CE1 TYR A 49 -9.435 10.824 -27.867 1.00 0.00 C ATOM 760 CE2 TYR A 49 -8.180 11.126 -25.840 1.00 0.00 C ATOM 761 CZ TYR A 49 -8.277 11.230 -27.213 1.00 0.00 C ATOM 762 OH TYR A 49 -7.224 11.736 -27.940 1.00 0.00 O ATOM 0 H TYR A 49 -9.446 7.742 -24.277 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.375 7.815 -24.216 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.482 9.866 -25.485 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.603 10.173 -24.000 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.394 9.998 -27.639 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.162 10.538 -24.036 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.508 10.906 -28.941 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.278 11.442 -25.337 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.492 11.974 -27.333 1.00 0.00 H new ATOM 772 N ASP A 50 -12.429 7.280 -26.745 1.00 0.00 N ATOM 773 CA ASP A 50 -12.441 6.564 -28.015 1.00 0.00 C ATOM 774 C ASP A 50 -11.625 7.299 -29.070 1.00 0.00 C ATOM 775 O ASP A 50 -11.858 8.478 -29.339 1.00 0.00 O ATOM 776 CB ASP A 50 -13.876 6.375 -28.511 1.00 0.00 C ATOM 777 CG ASP A 50 -13.974 5.419 -29.692 1.00 0.00 C ATOM 778 OD1 ASP A 50 -13.981 4.231 -29.471 1.00 0.00 O ATOM 779 OD2 ASP A 50 -14.041 5.885 -30.804 1.00 0.00 O ATOM 0 H ASP A 50 -13.331 7.672 -26.474 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.988 5.587 -27.847 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.491 5.999 -27.693 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.286 7.343 -28.799 1.00 0.00 H new ATOM 784 N ARG A 51 -10.666 6.597 -29.665 1.00 0.00 N ATOM 785 CA ARG A 51 -9.736 7.213 -30.604 1.00 0.00 C ATOM 786 C ARG A 51 -10.478 7.972 -31.697 1.00 0.00 C ATOM 787 O ARG A 51 -10.135 9.110 -32.018 1.00 0.00 O ATOM 788 CB ARG A 51 -8.842 6.159 -31.241 1.00 0.00 C ATOM 789 CG ARG A 51 -7.822 6.699 -32.231 1.00 0.00 C ATOM 790 CD ARG A 51 -7.136 5.605 -32.964 1.00 0.00 C ATOM 791 NE ARG A 51 -8.040 4.902 -33.861 1.00 0.00 N ATOM 792 CZ ARG A 51 -7.799 3.688 -34.392 1.00 0.00 C ATOM 793 NH1 ARG A 51 -6.683 3.055 -34.107 1.00 0.00 N ATOM 794 NH2 ARG A 51 -8.687 3.132 -35.199 1.00 0.00 N ATOM 0 H ARG A 51 -10.513 5.600 -29.513 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.122 7.917 -30.042 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.313 5.626 -30.451 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.471 5.430 -31.751 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.319 7.358 -32.943 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.084 7.301 -31.701 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.305 6.017 -33.536 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.712 4.899 -32.249 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.918 5.361 -34.105 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.999 3.483 -33.483 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.501 2.136 -34.509 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.554 3.623 -35.419 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.505 2.213 -35.602 1.00 0.00 H new ATOM 808 N GLU A 52 -11.497 7.336 -32.265 1.00 0.00 N ATOM 809 CA GLU A 52 -12.155 7.855 -33.458 1.00 0.00 C ATOM 810 C GLU A 52 -13.336 8.745 -33.092 1.00 0.00 C ATOM 811 O GLU A 52 -13.546 9.794 -33.700 1.00 0.00 O ATOM 812 CB GLU A 52 -12.628 6.705 -34.349 1.00 0.00 C ATOM 813 CG GLU A 52 -11.504 5.863 -34.937 1.00 0.00 C ATOM 814 CD GLU A 52 -12.007 4.711 -35.763 1.00 0.00 C ATOM 815 OE1 GLU A 52 -13.194 4.623 -35.965 1.00 0.00 O ATOM 816 OE2 GLU A 52 -11.202 3.919 -36.193 1.00 0.00 O ATOM 0 H GLU A 52 -11.885 6.459 -31.918 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.428 8.456 -34.005 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.285 6.058 -33.768 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.224 7.115 -35.165 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.868 6.496 -35.555 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.883 5.479 -34.128 1.00 0.00 H new ATOM 823 N THR A 53 -14.104 8.320 -32.095 1.00 0.00 N ATOM 824 CA THR A 53 -15.309 9.038 -31.696 1.00 0.00 C ATOM 825 C THR A 53 -14.966 10.287 -30.894 1.00 0.00 C ATOM 826 O THR A 53 -15.535 11.355 -31.118 1.00 0.00 O ATOM 827 CB THR A 53 -16.245 8.135 -30.873 1.00 0.00 C ATOM 828 OG1 THR A 53 -16.586 6.972 -31.638 1.00 0.00 O ATOM 829 CG2 THR A 53 -17.517 8.883 -30.500 1.00 0.00 C ATOM 0 H THR A 53 -13.913 7.481 -31.548 1.00 0.00 H new ATOM 0 HA THR A 53 -15.823 9.338 -32.609 1.00 0.00 H new ATOM 0 HB THR A 53 -15.729 7.839 -29.960 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.854 6.322 -31.589 1.00 0.00 H new ATOM 0 HG21 THR A 53 -18.167 8.229 -29.918 1.00 0.00 H new ATOM 0 HG22 THR A 53 -17.262 9.761 -29.907 1.00 0.00 H new ATOM 0 HG23 THR A 53 -18.035 9.195 -31.407 1.00 0.00 H new ATOM 837 N GLY A 54 -14.034 10.145 -29.958 1.00 0.00 N ATOM 838 CA GLY A 54 -13.637 11.254 -29.098 1.00 0.00 C ATOM 839 C GLY A 54 -14.377 11.212 -27.768 1.00 0.00 C ATOM 840 O GLY A 54 -14.149 12.047 -26.893 1.00 0.00 O ATOM 0 H GLY A 54 -13.539 9.272 -29.775 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.562 11.213 -28.921 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.841 12.199 -29.601 1.00 0.00 H new ATOM 844 N LYS A 55 -15.265 10.234 -27.621 1.00 0.00 N ATOM 845 CA LYS A 55 -16.071 10.106 -26.413 1.00 0.00 C ATOM 846 C LYS A 55 -15.314 9.356 -25.324 1.00 0.00 C ATOM 847 O LYS A 55 -14.826 8.248 -25.545 1.00 0.00 O ATOM 848 CB LYS A 55 -17.390 9.396 -26.721 1.00 0.00 C ATOM 849 CG LYS A 55 -18.342 9.295 -25.537 1.00 0.00 C ATOM 850 CD LYS A 55 -19.645 8.616 -25.932 1.00 0.00 C ATOM 851 CE LYS A 55 -20.584 8.484 -24.742 1.00 0.00 C ATOM 852 NZ LYS A 55 -21.844 7.780 -25.103 1.00 0.00 N ATOM 0 H LYS A 55 -15.445 9.518 -28.325 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.287 11.110 -26.049 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.892 9.924 -27.531 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.172 8.391 -27.083 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.867 8.734 -24.732 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.552 10.292 -25.150 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.132 9.190 -26.720 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.433 7.628 -26.342 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.081 7.941 -23.942 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.820 9.475 -24.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.456 7.711 -24.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -22.337 8.311 -25.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.621 6.825 -25.448 1.00 0.00 H new ATOM 866 N PRO A 56 -15.221 9.967 -24.148 1.00 0.00 N ATOM 867 CA PRO A 56 -14.560 9.339 -23.009 1.00 0.00 C ATOM 868 C PRO A 56 -15.147 7.963 -22.722 1.00 0.00 C ATOM 869 O PRO A 56 -16.352 7.752 -22.852 1.00 0.00 O ATOM 870 CB PRO A 56 -14.837 10.322 -21.866 1.00 0.00 C ATOM 871 CG PRO A 56 -14.976 11.642 -22.544 1.00 0.00 C ATOM 872 CD PRO A 56 -15.703 11.330 -23.825 1.00 0.00 C ATOM 0 HA PRO A 56 -13.496 9.163 -23.169 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.744 10.056 -21.323 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.023 10.330 -21.142 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.537 12.347 -21.930 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.003 12.093 -22.739 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.785 11.357 -23.694 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.460 12.043 -24.613 1.00 0.00 H new ATOM 880 N LYS A 57 -14.287 7.030 -22.329 1.00 0.00 N ATOM 881 CA LYS A 57 -14.723 5.682 -21.985 1.00 0.00 C ATOM 882 C LYS A 57 -15.280 5.629 -20.568 1.00 0.00 C ATOM 883 O LYS A 57 -15.935 4.660 -20.184 1.00 0.00 O ATOM 884 CB LYS A 57 -13.569 4.690 -22.133 1.00 0.00 C ATOM 885 CG LYS A 57 -13.047 4.541 -23.556 1.00 0.00 C ATOM 886 CD LYS A 57 -14.107 3.952 -24.475 1.00 0.00 C ATOM 887 CE LYS A 57 -13.580 3.782 -25.892 1.00 0.00 C ATOM 888 NZ LYS A 57 -14.637 3.309 -26.826 1.00 0.00 N ATOM 0 H LYS A 57 -13.282 7.183 -22.241 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.519 5.403 -22.676 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.749 5.007 -21.489 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.897 3.714 -21.775 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.734 5.514 -23.935 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.165 3.900 -23.557 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.431 2.986 -24.087 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.983 4.601 -24.486 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.181 4.732 -26.247 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.754 3.071 -25.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.424 3.642 -27.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.668 2.269 -26.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.559 3.685 -26.526 1.00 0.00 H new ATOM 902 N GLY A 58 -15.017 6.677 -19.795 1.00 0.00 N ATOM 903 CA GLY A 58 -15.602 6.815 -18.466 1.00 0.00 C ATOM 904 C GLY A 58 -14.606 6.421 -17.382 1.00 0.00 C ATOM 905 O GLY A 58 -14.985 6.177 -16.237 1.00 0.00 O ATOM 0 H GLY A 58 -14.402 7.444 -20.066 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.922 7.845 -18.312 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.492 6.190 -18.391 1.00 0.00 H new ATOM 909 N TYR A 59 -13.331 6.362 -17.751 1.00 0.00 N ATOM 910 CA TYR A 59 -12.269 6.076 -16.794 1.00 0.00 C ATOM 911 C TYR A 59 -10.934 6.636 -17.268 1.00 0.00 C ATOM 912 O TYR A 59 -10.759 6.932 -18.450 1.00 0.00 O ATOM 913 CB TYR A 59 -12.157 4.569 -16.553 1.00 0.00 C ATOM 914 CG TYR A 59 -11.839 3.774 -17.800 1.00 0.00 C ATOM 915 CD1 TYR A 59 -10.521 3.603 -18.197 1.00 0.00 C ATOM 916 CD2 TYR A 59 -12.866 3.216 -18.547 1.00 0.00 C ATOM 917 CE1 TYR A 59 -10.231 2.876 -19.336 1.00 0.00 C ATOM 918 CE2 TYR A 59 -12.576 2.490 -19.686 1.00 0.00 C ATOM 919 CZ TYR A 59 -11.265 2.320 -20.081 1.00 0.00 C ATOM 920 OH TYR A 59 -10.976 1.596 -21.215 1.00 0.00 O ATOM 0 H TYR A 59 -13.008 6.509 -18.707 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.526 6.565 -15.854 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.382 4.386 -15.809 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.095 4.207 -16.132 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.721 4.038 -17.616 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.892 3.349 -18.238 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.205 2.740 -19.646 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.376 2.055 -20.267 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.101 1.167 -21.115 1.00 0.00 H new ATOM 930 N GLY A 60 -9.995 6.779 -16.339 1.00 0.00 N ATOM 931 CA GLY A 60 -8.662 7.269 -16.667 1.00 0.00 C ATOM 932 C GLY A 60 -7.717 7.132 -15.480 1.00 0.00 C ATOM 933 O GLY A 60 -8.041 6.478 -14.489 1.00 0.00 O ATOM 0 H GLY A 60 -10.133 6.562 -15.352 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.266 6.713 -17.517 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.720 8.314 -16.970 1.00 0.00 H new ATOM 937 N PHE A 61 -6.547 7.753 -15.587 1.00 0.00 N ATOM 938 CA PHE A 61 -5.527 7.649 -14.550 1.00 0.00 C ATOM 939 C PHE A 61 -5.124 9.025 -14.035 1.00 0.00 C ATOM 940 O PHE A 61 -4.983 9.972 -14.809 1.00 0.00 O ATOM 941 CB PHE A 61 -4.294 6.918 -15.084 1.00 0.00 C ATOM 942 CG PHE A 61 -4.565 5.501 -15.502 1.00 0.00 C ATOM 943 CD1 PHE A 61 -4.949 5.208 -16.802 1.00 0.00 C ATOM 944 CD2 PHE A 61 -4.435 4.458 -14.598 1.00 0.00 C ATOM 945 CE1 PHE A 61 -5.199 3.905 -17.189 1.00 0.00 C ATOM 946 CE2 PHE A 61 -4.682 3.154 -14.982 1.00 0.00 C ATOM 947 CZ PHE A 61 -5.065 2.878 -16.279 1.00 0.00 C ATOM 0 H PHE A 61 -6.282 8.334 -16.382 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.952 7.080 -13.723 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.897 7.469 -15.936 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.521 6.919 -14.316 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.054 6.008 -17.520 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.137 4.667 -13.581 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.499 3.691 -18.204 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.575 2.351 -14.268 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.259 1.859 -16.580 1.00 0.00 H new ATOM 957 N CYS A 62 -4.940 9.130 -12.723 1.00 0.00 N ATOM 958 CA CYS A 62 -4.555 10.391 -12.102 1.00 0.00 C ATOM 959 C CYS A 62 -3.336 10.215 -11.206 1.00 0.00 C ATOM 960 O CYS A 62 -3.321 9.356 -10.324 1.00 0.00 O ATOM 961 CB CYS A 62 -5.710 10.958 -11.276 1.00 0.00 C ATOM 962 SG CYS A 62 -5.361 12.566 -10.524 1.00 0.00 S ATOM 0 H CYS A 62 -5.052 8.355 -12.069 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.305 11.087 -12.903 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.588 11.051 -11.915 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.962 10.248 -10.489 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.400 12.457 -9.229 1.00 0.00 H new ATOM 968 N GLU A 63 -2.315 11.033 -11.437 1.00 0.00 N ATOM 969 CA GLU A 63 -1.087 10.965 -10.654 1.00 0.00 C ATOM 970 C GLU A 63 -1.027 12.088 -9.626 1.00 0.00 C ATOM 971 O GLU A 63 -1.052 13.267 -9.978 1.00 0.00 O ATOM 972 CB GLU A 63 0.136 11.036 -11.572 1.00 0.00 C ATOM 973 CG GLU A 63 1.470 10.877 -10.856 1.00 0.00 C ATOM 974 CD GLU A 63 2.644 10.914 -11.794 1.00 0.00 C ATOM 975 OE1 GLU A 63 2.461 11.273 -12.932 1.00 0.00 O ATOM 976 OE2 GLU A 63 3.727 10.582 -11.371 1.00 0.00 O ATOM 0 H GLU A 63 -2.314 11.752 -12.161 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.082 10.013 -10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.050 10.259 -12.332 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.129 11.993 -12.093 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.577 11.671 -10.116 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.475 9.932 -10.313 1.00 0.00 H new ATOM 983 N TYR A 64 -0.947 11.714 -8.353 1.00 0.00 N ATOM 984 CA TYR A 64 -0.957 12.686 -7.267 1.00 0.00 C ATOM 985 C TYR A 64 0.451 12.950 -6.751 1.00 0.00 C ATOM 986 O TYR A 64 1.353 12.132 -6.935 1.00 0.00 O ATOM 987 CB TYR A 64 -1.859 12.206 -6.127 1.00 0.00 C ATOM 988 CG TYR A 64 -3.334 12.243 -6.459 1.00 0.00 C ATOM 989 CD1 TYR A 64 -3.924 11.175 -7.118 1.00 0.00 C ATOM 990 CD2 TYR A 64 -4.097 13.346 -6.105 1.00 0.00 C ATOM 991 CE1 TYR A 64 -5.271 11.208 -7.422 1.00 0.00 C ATOM 992 CE2 TYR A 64 -5.445 13.380 -6.408 1.00 0.00 C ATOM 993 CZ TYR A 64 -6.031 12.316 -7.064 1.00 0.00 C ATOM 994 OH TYR A 64 -7.373 12.350 -7.366 1.00 0.00 O ATOM 0 H TYR A 64 -0.874 10.743 -8.049 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.354 13.622 -7.660 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.581 11.186 -5.861 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.678 12.825 -5.248 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.330 10.316 -7.394 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.638 14.178 -5.593 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.732 10.377 -7.935 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.040 14.238 -6.132 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.538 13.036 -8.046 1.00 0.00 H new ATOM 1004 N GLN A 65 0.634 14.095 -6.103 1.00 0.00 N ATOM 1005 CA GLN A 65 1.957 14.527 -5.669 1.00 0.00 C ATOM 1006 C GLN A 65 2.572 13.528 -4.699 1.00 0.00 C ATOM 1007 O GLN A 65 3.761 13.217 -4.783 1.00 0.00 O ATOM 1008 CB GLN A 65 1.882 15.911 -5.017 1.00 0.00 C ATOM 1009 CG GLN A 65 3.229 16.474 -4.596 1.00 0.00 C ATOM 1010 CD GLN A 65 4.135 16.755 -5.779 1.00 0.00 C ATOM 1011 OE1 GLN A 65 3.758 17.471 -6.712 1.00 0.00 O ATOM 1012 NE2 GLN A 65 5.337 16.192 -5.749 1.00 0.00 N ATOM 0 H GLN A 65 -0.119 14.742 -5.866 1.00 0.00 H new ATOM 0 HA GLN A 65 2.594 14.584 -6.552 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.413 16.604 -5.715 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.235 15.854 -4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.075 17.395 -4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.720 15.769 -3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.607 15.608 -4.958 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.991 16.344 -6.517 1.00 0.00 H new ATOM 1021 N ASP A 66 1.757 13.027 -3.777 1.00 0.00 N ATOM 1022 CA ASP A 66 2.224 12.077 -2.775 1.00 0.00 C ATOM 1023 C ASP A 66 1.275 10.892 -2.654 1.00 0.00 C ATOM 1024 O ASP A 66 0.086 11.003 -2.954 1.00 0.00 O ATOM 1025 CB ASP A 66 2.372 12.761 -1.414 1.00 0.00 C ATOM 1026 CG ASP A 66 3.550 13.725 -1.360 1.00 0.00 C ATOM 1027 OD1 ASP A 66 4.642 13.315 -1.672 1.00 0.00 O ATOM 1028 OD2 ASP A 66 3.345 14.862 -1.007 1.00 0.00 O ATOM 0 H ASP A 66 0.768 13.264 -3.703 1.00 0.00 H new ATOM 0 HA ASP A 66 3.197 11.708 -3.098 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.455 13.303 -1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.495 12.001 -0.643 1.00 0.00 H new ATOM 1033 N GLN A 67 1.806 9.757 -2.213 1.00 0.00 N ATOM 1034 CA GLN A 67 0.998 8.561 -2.008 1.00 0.00 C ATOM 1035 C GLN A 67 -0.122 8.817 -1.007 1.00 0.00 C ATOM 1036 O GLN A 67 -1.210 8.255 -1.121 1.00 0.00 O ATOM 1037 CB GLN A 67 1.872 7.399 -1.528 1.00 0.00 C ATOM 1038 CG GLN A 67 1.128 6.083 -1.374 1.00 0.00 C ATOM 1039 CD GLN A 67 2.034 4.957 -0.914 1.00 0.00 C ATOM 1040 OE1 GLN A 67 3.217 5.168 -0.634 1.00 0.00 O ATOM 1041 NE2 GLN A 67 1.482 3.751 -0.833 1.00 0.00 N ATOM 0 H GLN A 67 2.795 9.640 -1.990 1.00 0.00 H new ATOM 0 HA GLN A 67 0.548 8.296 -2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.691 7.260 -2.233 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.318 7.666 -0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.317 6.209 -0.657 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.672 5.813 -2.327 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.499 3.623 -1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.041 2.954 -0.529 1.00 0.00 H new ATOM 1050 N GLU A 68 0.153 9.670 -0.026 1.00 0.00 N ATOM 1051 CA GLU A 68 -0.846 10.041 0.969 1.00 0.00 C ATOM 1052 C GLU A 68 -2.044 10.723 0.320 1.00 0.00 C ATOM 1053 O GLU A 68 -3.189 10.489 0.707 1.00 0.00 O ATOM 1054 CB GLU A 68 -0.232 10.962 2.025 1.00 0.00 C ATOM 1055 CG GLU A 68 0.776 10.284 2.942 1.00 0.00 C ATOM 1056 CD GLU A 68 1.409 11.234 3.920 1.00 0.00 C ATOM 1057 OE1 GLU A 68 1.193 12.415 3.796 1.00 0.00 O ATOM 1058 OE2 GLU A 68 2.111 10.777 4.791 1.00 0.00 O ATOM 0 H GLU A 68 1.061 10.118 0.101 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.192 9.126 1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.257 11.796 1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.033 11.382 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.280 9.483 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.555 9.820 2.337 1.00 0.00 H new ATOM 1065 N THR A 69 -1.772 11.568 -0.668 1.00 0.00 N ATOM 1066 CA THR A 69 -2.829 12.262 -1.395 1.00 0.00 C ATOM 1067 C THR A 69 -3.504 11.339 -2.400 1.00 0.00 C ATOM 1068 O THR A 69 -4.679 11.512 -2.726 1.00 0.00 O ATOM 1069 CB THR A 69 -2.279 13.504 -2.121 1.00 0.00 C ATOM 1070 OG1 THR A 69 -1.249 13.108 -3.036 1.00 0.00 O ATOM 1071 CG2 THR A 69 -1.710 14.498 -1.121 1.00 0.00 C ATOM 0 H THR A 69 -0.828 11.789 -0.984 1.00 0.00 H new ATOM 0 HA THR A 69 -3.569 12.582 -0.661 1.00 0.00 H new ATOM 0 HB THR A 69 -3.095 13.980 -2.665 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.092 12.144 -2.954 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.326 15.369 -1.652 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.494 14.810 -0.432 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.901 14.028 -0.561 1.00 0.00 H new ATOM 1079 N ALA A 70 -2.755 10.357 -2.890 1.00 0.00 N ATOM 1080 CA ALA A 70 -3.314 9.328 -3.760 1.00 0.00 C ATOM 1081 C ALA A 70 -4.304 8.448 -3.008 1.00 0.00 C ATOM 1082 O ALA A 70 -5.385 8.144 -3.511 1.00 0.00 O ATOM 1083 CB ALA A 70 -2.201 8.480 -4.359 1.00 0.00 C ATOM 0 H ALA A 70 -1.759 10.252 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.852 9.826 -4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.633 7.717 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.534 9.115 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.638 8.001 -3.558 1.00 0.00 H new ATOM 1089 N LEU A 71 -3.927 8.042 -1.800 1.00 0.00 N ATOM 1090 CA LEU A 71 -4.785 7.203 -0.973 1.00 0.00 C ATOM 1091 C LEU A 71 -5.959 7.997 -0.413 1.00 0.00 C ATOM 1092 O LEU A 71 -7.054 7.464 -0.238 1.00 0.00 O ATOM 1093 CB LEU A 71 -3.978 6.592 0.179 1.00 0.00 C ATOM 1094 CG LEU A 71 -2.904 5.574 -0.227 1.00 0.00 C ATOM 1095 CD1 LEU A 71 -2.092 5.175 0.997 1.00 0.00 C ATOM 1096 CD2 LEU A 71 -3.569 4.361 -0.862 1.00 0.00 C ATOM 0 H LEU A 71 -3.032 8.281 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.179 6.405 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.497 7.400 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.671 6.107 0.866 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.228 6.018 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.329 4.452 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.613 6.058 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.751 4.729 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.807 3.638 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.251 3.903 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.126 4.672 -1.745 1.00 0.00 H new ATOM 1108 N SER A 72 -5.722 9.274 -0.134 1.00 0.00 N ATOM 1109 CA SER A 72 -6.786 10.174 0.296 1.00 0.00 C ATOM 1110 C SER A 72 -7.860 10.309 -0.776 1.00 0.00 C ATOM 1111 O SER A 72 -9.053 10.324 -0.474 1.00 0.00 O ATOM 1112 CB SER A 72 -6.214 11.539 0.626 1.00 0.00 C ATOM 1113 OG SER A 72 -5.379 11.474 1.750 1.00 0.00 O ATOM 0 H SER A 72 -4.802 9.710 -0.198 1.00 0.00 H new ATOM 0 HA SER A 72 -7.245 9.749 1.189 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.652 11.918 -0.228 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.026 12.243 0.811 1.00 0.00 H new ATOM 0 HG SER A 72 -4.507 11.111 1.489 1.00 0.00 H new ATOM 1119 N ALA A 73 -7.429 10.408 -2.029 1.00 0.00 N ATOM 1120 CA ALA A 73 -8.352 10.433 -3.157 1.00 0.00 C ATOM 1121 C ALA A 73 -9.204 9.171 -3.201 1.00 0.00 C ATOM 1122 O ALA A 73 -10.416 9.235 -3.404 1.00 0.00 O ATOM 1123 CB ALA A 73 -7.589 10.602 -4.463 1.00 0.00 C ATOM 0 H ALA A 73 -6.445 10.472 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.019 11.285 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.292 10.619 -5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.031 11.538 -4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.896 9.770 -4.590 1.00 0.00 H new ATOM 1129 N MET A 74 -8.562 8.024 -3.008 1.00 0.00 N ATOM 1130 CA MET A 74 -9.271 6.753 -2.928 1.00 0.00 C ATOM 1131 C MET A 74 -10.355 6.794 -1.858 1.00 0.00 C ATOM 1132 O MET A 74 -11.474 6.329 -2.076 1.00 0.00 O ATOM 1133 CB MET A 74 -8.289 5.617 -2.649 1.00 0.00 C ATOM 1134 CG MET A 74 -8.943 4.263 -2.412 1.00 0.00 C ATOM 1135 SD MET A 74 -7.752 2.984 -1.966 1.00 0.00 S ATOM 1136 CE MET A 74 -7.261 3.534 -0.334 1.00 0.00 C ATOM 0 H MET A 74 -7.550 7.949 -2.904 1.00 0.00 H new ATOM 0 HA MET A 74 -9.755 6.574 -3.888 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.602 5.532 -3.491 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.692 5.876 -1.775 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.684 4.356 -1.618 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.476 3.959 -3.313 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.805 2.705 0.207 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.541 4.347 -0.425 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.138 3.885 0.211 1.00 0.00 H new ATOM 1146 N ARG A 75 -10.016 7.353 -0.701 1.00 0.00 N ATOM 1147 CA ARG A 75 -10.904 7.319 0.455 1.00 0.00 C ATOM 1148 C ARG A 75 -11.979 8.393 0.355 1.00 0.00 C ATOM 1149 O ARG A 75 -13.077 8.238 0.889 1.00 0.00 O ATOM 1150 CB ARG A 75 -10.115 7.514 1.742 1.00 0.00 C ATOM 1151 CG ARG A 75 -9.161 6.381 2.084 1.00 0.00 C ATOM 1152 CD ARG A 75 -8.396 6.663 3.326 1.00 0.00 C ATOM 1153 NE ARG A 75 -7.506 7.802 3.168 1.00 0.00 N ATOM 1154 CZ ARG A 75 -6.825 8.386 4.173 1.00 0.00 C ATOM 1155 NH1 ARG A 75 -6.940 7.927 5.399 1.00 0.00 N ATOM 1156 NH2 ARG A 75 -6.039 9.420 3.925 1.00 0.00 N ATOM 0 H ARG A 75 -9.132 7.835 -0.539 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.385 6.341 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.544 8.440 1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.817 7.640 2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.724 5.455 2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.468 6.226 1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.090 6.855 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.814 5.783 3.602 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.389 8.186 2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.545 7.128 5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.424 8.369 6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.949 9.775 2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.523 9.863 4.686 1.00 0.00 H new ATOM 1170 N ASN A 76 -11.657 9.484 -0.332 1.00 0.00 N ATOM 1171 CA ASN A 76 -12.521 10.658 -0.357 1.00 0.00 C ATOM 1172 C ASN A 76 -13.428 10.648 -1.581 1.00 0.00 C ATOM 1173 O ASN A 76 -14.645 10.797 -1.465 1.00 0.00 O ATOM 1174 CB ASN A 76 -11.696 11.930 -0.314 1.00 0.00 C ATOM 1175 CG ASN A 76 -11.062 12.163 1.029 1.00 0.00 C ATOM 1176 OD1 ASN A 76 -11.491 11.593 2.039 1.00 0.00 O ATOM 1177 ND2 ASN A 76 -10.048 12.990 1.062 1.00 0.00 N ATOM 0 H ASN A 76 -10.802 9.579 -0.880 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.154 10.627 0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.918 11.880 -1.075 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.332 12.780 -0.564 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.578 13.186 1.946 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.727 13.438 0.204 1.00 0.00 H new ATOM 1184 N LEU A 77 -12.829 10.473 -2.754 1.00 0.00 N ATOM 1185 CA LEU A 77 -13.536 10.677 -4.013 1.00 0.00 C ATOM 1186 C LEU A 77 -14.394 9.468 -4.365 1.00 0.00 C ATOM 1187 O LEU A 77 -15.392 9.590 -5.075 1.00 0.00 O ATOM 1188 CB LEU A 77 -12.536 10.948 -5.143 1.00 0.00 C ATOM 1189 CG LEU A 77 -11.727 12.246 -5.019 1.00 0.00 C ATOM 1190 CD1 LEU A 77 -10.677 12.298 -6.121 1.00 0.00 C ATOM 1191 CD2 LEU A 77 -12.667 13.440 -5.102 1.00 0.00 C ATOM 0 H LEU A 77 -11.855 10.190 -2.859 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.191 11.540 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.840 10.111 -5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.080 10.969 -6.087 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.217 12.276 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.102 13.220 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.008 11.443 -6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.168 12.268 -7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.093 14.362 -5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.188 13.427 -6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.395 13.387 -4.292 1.00 0.00 H new ATOM 1203 N ASN A 78 -13.999 8.303 -3.864 1.00 0.00 N ATOM 1204 CA ASN A 78 -14.703 7.062 -4.166 1.00 0.00 C ATOM 1205 C ASN A 78 -16.086 7.044 -3.529 1.00 0.00 C ATOM 1206 O ASN A 78 -16.217 6.952 -2.308 1.00 0.00 O ATOM 1207 CB ASN A 78 -13.890 5.863 -3.712 1.00 0.00 C ATOM 1208 CG ASN A 78 -14.531 4.555 -4.085 1.00 0.00 C ATOM 1209 OD1 ASN A 78 -15.737 4.364 -3.892 1.00 0.00 O ATOM 1210 ND2 ASN A 78 -13.747 3.652 -4.616 1.00 0.00 N ATOM 0 H ASN A 78 -13.195 8.192 -3.247 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.832 7.004 -5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.895 5.915 -4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.761 5.905 -2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.126 2.745 -4.890 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.757 3.855 -4.756 1.00 0.00 H new ATOM 1217 N GLY A 79 -17.117 7.131 -4.362 1.00 0.00 N ATOM 1218 CA GLY A 79 -18.494 7.109 -3.883 1.00 0.00 C ATOM 1219 C GLY A 79 -19.055 8.519 -3.756 1.00 0.00 C ATOM 1220 O GLY A 79 -20.227 8.704 -3.429 1.00 0.00 O ATOM 0 H GLY A 79 -17.025 7.218 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -19.111 6.530 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.537 6.609 -2.915 1.00 0.00 H new ATOM 1224 N ARG A 80 -18.212 9.512 -4.018 1.00 0.00 N ATOM 1225 CA ARG A 80 -18.629 10.908 -3.956 1.00 0.00 C ATOM 1226 C ARG A 80 -19.394 11.311 -5.211 1.00 0.00 C ATOM 1227 O ARG A 80 -18.837 11.334 -6.308 1.00 0.00 O ATOM 1228 CB ARG A 80 -17.423 11.820 -3.787 1.00 0.00 C ATOM 1229 CG ARG A 80 -17.750 13.302 -3.690 1.00 0.00 C ATOM 1230 CD ARG A 80 -16.529 14.121 -3.477 1.00 0.00 C ATOM 1231 NE ARG A 80 -16.819 15.545 -3.511 1.00 0.00 N ATOM 1232 CZ ARG A 80 -15.885 16.515 -3.554 1.00 0.00 C ATOM 1233 NH1 ARG A 80 -14.609 16.199 -3.568 1.00 0.00 N ATOM 1234 NH2 ARG A 80 -16.252 17.785 -3.582 1.00 0.00 N ATOM 0 H ARG A 80 -17.235 9.376 -4.276 1.00 0.00 H new ATOM 0 HA ARG A 80 -19.287 11.015 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -16.884 11.522 -2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.748 11.666 -4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -18.250 13.625 -4.603 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -18.447 13.468 -2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.083 13.864 -2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.793 13.882 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.798 15.830 -3.502 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.326 15.219 -3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.902 16.934 -3.601 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.242 18.030 -3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.545 18.520 -3.615 1.00 0.00 H new ATOM 1248 N GLU A 81 -20.673 11.627 -5.041 1.00 0.00 N ATOM 1249 CA GLU A 81 -21.531 11.980 -6.166 1.00 0.00 C ATOM 1250 C GLU A 81 -21.378 13.450 -6.535 1.00 0.00 C ATOM 1251 O GLU A 81 -21.659 14.335 -5.727 1.00 0.00 O ATOM 1252 CB GLU A 81 -22.994 11.675 -5.838 1.00 0.00 C ATOM 1253 CG GLU A 81 -23.963 11.937 -6.983 1.00 0.00 C ATOM 1254 CD GLU A 81 -25.388 11.617 -6.628 1.00 0.00 C ATOM 1255 OE1 GLU A 81 -25.627 11.212 -5.515 1.00 0.00 O ATOM 1256 OE2 GLU A 81 -26.239 11.776 -7.470 1.00 0.00 O ATOM 0 H GLU A 81 -21.139 11.646 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 81 -21.224 11.378 -7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -23.077 10.630 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -23.294 12.276 -4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -23.894 12.984 -7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -23.667 11.342 -7.847 1.00 0.00 H new ATOM 1263 N PHE A 82 -20.931 13.704 -7.760 1.00 0.00 N ATOM 1264 CA PHE A 82 -20.787 15.068 -8.255 1.00 0.00 C ATOM 1265 C PHE A 82 -22.009 15.494 -9.060 1.00 0.00 C ATOM 1266 O PHE A 82 -23.023 14.796 -9.082 1.00 0.00 O ATOM 1267 CB PHE A 82 -19.532 15.192 -9.121 1.00 0.00 C ATOM 1268 CG PHE A 82 -18.250 15.033 -8.355 1.00 0.00 C ATOM 1269 CD1 PHE A 82 -17.716 13.774 -8.123 1.00 0.00 C ATOM 1270 CD2 PHE A 82 -17.575 16.140 -7.865 1.00 0.00 C ATOM 1271 CE1 PHE A 82 -16.536 13.625 -7.419 1.00 0.00 C ATOM 1272 CE2 PHE A 82 -16.395 15.995 -7.162 1.00 0.00 C ATOM 1273 CZ PHE A 82 -15.876 14.736 -6.938 1.00 0.00 C ATOM 0 H PHE A 82 -20.662 12.982 -8.429 1.00 0.00 H new ATOM 0 HA PHE A 82 -20.695 15.726 -7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -19.570 14.440 -9.909 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -19.534 16.166 -9.610 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.228 12.900 -8.497 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.977 17.128 -8.035 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -16.131 12.639 -7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -15.879 16.867 -6.788 1.00 0.00 H new ATOM 0 HZ PHE A 82 -14.954 14.621 -6.387 1.00 0.00 H new ATOM 1283 N SER A 83 -21.906 16.643 -9.719 1.00 0.00 N ATOM 1284 CA SER A 83 -23.001 17.161 -10.531 1.00 0.00 C ATOM 1285 C SER A 83 -23.289 16.246 -11.714 1.00 0.00 C ATOM 1286 O SER A 83 -24.366 16.305 -12.309 1.00 0.00 O ATOM 1287 CB SER A 83 -22.668 18.554 -11.027 1.00 0.00 C ATOM 1288 OG SER A 83 -21.613 18.521 -11.948 1.00 0.00 O ATOM 0 H SER A 83 -21.075 17.234 -9.707 1.00 0.00 H new ATOM 0 HA SER A 83 -23.893 17.203 -9.906 1.00 0.00 H new ATOM 0 HB2 SER A 83 -23.548 18.998 -11.493 1.00 0.00 H new ATOM 0 HB3 SER A 83 -22.399 19.189 -10.183 1.00 0.00 H new ATOM 0 HG SER A 83 -21.418 19.431 -12.255 1.00 0.00 H new ATOM 1294 N GLY A 84 -22.322 15.401 -12.052 1.00 0.00 N ATOM 1295 CA GLY A 84 -22.502 14.412 -13.108 1.00 0.00 C ATOM 1296 C GLY A 84 -22.761 13.027 -12.528 1.00 0.00 C ATOM 1297 O GLY A 84 -23.901 12.565 -12.485 1.00 0.00 O ATOM 0 H GLY A 84 -21.403 15.381 -11.609 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -23.337 14.704 -13.745 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -21.614 14.384 -13.739 1.00 0.00 H new ATOM 1301 N ARG A 85 -21.696 12.370 -12.083 1.00 0.00 N ATOM 1302 CA ARG A 85 -21.802 11.024 -11.531 1.00 0.00 C ATOM 1303 C ARG A 85 -20.917 10.862 -10.301 1.00 0.00 C ATOM 1304 O ARG A 85 -20.109 11.736 -9.987 1.00 0.00 O ATOM 1305 CB ARG A 85 -21.412 9.986 -12.573 1.00 0.00 C ATOM 1306 CG ARG A 85 -22.312 9.940 -13.798 1.00 0.00 C ATOM 1307 CD ARG A 85 -23.658 9.406 -13.471 1.00 0.00 C ATOM 1308 NE ARG A 85 -24.480 9.242 -14.659 1.00 0.00 N ATOM 1309 CZ ARG A 85 -25.261 10.203 -15.188 1.00 0.00 C ATOM 1310 NH1 ARG A 85 -25.316 11.390 -14.625 1.00 0.00 N ATOM 1311 NH2 ARG A 85 -25.972 9.954 -16.274 1.00 0.00 N ATOM 0 H ARG A 85 -20.749 12.748 -12.094 1.00 0.00 H new ATOM 0 HA ARG A 85 -22.841 10.871 -11.239 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -20.391 10.184 -12.898 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -21.412 9.003 -12.103 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -22.410 10.942 -14.216 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -21.851 9.319 -14.565 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -23.555 8.446 -12.966 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -24.157 10.080 -12.775 1.00 0.00 H new ATOM 0 HE ARG A 85 -24.464 8.335 -15.125 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -24.767 11.583 -13.787 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -25.908 12.118 -15.026 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -25.929 9.034 -16.712 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -26.563 10.682 -16.674 1.00 0.00 H new ATOM 1325 N ALA A 86 -21.075 9.739 -9.609 1.00 0.00 N ATOM 1326 CA ALA A 86 -20.178 9.380 -8.517 1.00 0.00 C ATOM 1327 C ALA A 86 -18.958 8.627 -9.032 1.00 0.00 C ATOM 1328 O ALA A 86 -19.083 7.676 -9.803 1.00 0.00 O ATOM 1329 CB ALA A 86 -20.915 8.547 -7.479 1.00 0.00 C ATOM 0 H ALA A 86 -21.817 9.061 -9.785 1.00 0.00 H new ATOM 0 HA ALA A 86 -19.832 10.301 -8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -20.232 8.287 -6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -21.750 9.121 -7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -21.291 7.636 -7.944 1.00 0.00 H new ATOM 1335 N LEU A 87 -17.777 9.057 -8.600 1.00 0.00 N ATOM 1336 CA LEU A 87 -16.527 8.519 -9.123 1.00 0.00 C ATOM 1337 C LEU A 87 -16.152 7.220 -8.423 1.00 0.00 C ATOM 1338 O LEU A 87 -16.419 7.044 -7.234 1.00 0.00 O ATOM 1339 CB LEU A 87 -15.398 9.543 -8.955 1.00 0.00 C ATOM 1340 CG LEU A 87 -15.561 10.849 -9.742 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -14.375 11.762 -9.464 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -15.675 10.537 -11.227 1.00 0.00 C ATOM 0 H LEU A 87 -17.660 9.778 -7.888 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.670 8.309 -10.183 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.309 9.787 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.460 9.075 -9.254 1.00 0.00 H new ATOM 0 HG LEU A 87 -16.470 11.362 -9.428 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.491 12.690 -10.024 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.329 11.984 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.454 11.266 -9.771 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -15.791 11.466 -11.786 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.774 10.022 -11.561 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -16.542 9.899 -11.399 1.00 0.00 H new ATOM 1354 N ARG A 88 -15.530 6.311 -9.167 1.00 0.00 N ATOM 1355 CA ARG A 88 -14.994 5.084 -8.589 1.00 0.00 C ATOM 1356 C ARG A 88 -13.473 5.123 -8.525 1.00 0.00 C ATOM 1357 O ARG A 88 -12.793 4.763 -9.486 1.00 0.00 O ATOM 1358 CB ARG A 88 -15.434 3.874 -9.400 1.00 0.00 C ATOM 1359 CG ARG A 88 -15.001 2.532 -8.833 1.00 0.00 C ATOM 1360 CD ARG A 88 -15.637 1.400 -9.554 1.00 0.00 C ATOM 1361 NE ARG A 88 -15.275 0.116 -8.975 1.00 0.00 N ATOM 1362 CZ ARG A 88 -14.258 -0.657 -9.403 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -13.513 -0.264 -10.413 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -14.009 -1.811 -8.808 1.00 0.00 N ATOM 0 H ARG A 88 -15.385 6.401 -10.173 1.00 0.00 H new ATOM 0 HA ARG A 88 -15.385 5.002 -7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -16.521 3.884 -9.480 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.039 3.969 -10.411 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.917 2.442 -8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.262 2.482 -7.776 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -16.720 1.517 -9.529 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.338 1.423 -10.602 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.830 -0.223 -8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.705 0.626 -10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.743 -0.849 -10.737 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.587 -2.116 -8.025 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.239 -2.396 -9.132 1.00 0.00 H new ATOM 1378 N VAL A 89 -12.944 5.562 -7.388 1.00 0.00 N ATOM 1379 CA VAL A 89 -11.532 5.907 -7.283 1.00 0.00 C ATOM 1380 C VAL A 89 -10.780 4.896 -6.428 1.00 0.00 C ATOM 1381 O VAL A 89 -11.190 4.588 -5.309 1.00 0.00 O ATOM 1382 CB VAL A 89 -11.369 7.313 -6.674 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -9.896 7.675 -6.557 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -12.109 8.334 -7.524 1.00 0.00 C ATOM 0 H VAL A 89 -13.473 5.687 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.112 5.894 -8.289 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.798 7.317 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.799 8.671 -6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.393 6.951 -5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.439 7.663 -7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.990 9.326 -7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.701 8.331 -8.535 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.168 8.079 -7.560 1.00 0.00 H new ATOM 1394 N ASP A 90 -9.677 4.382 -6.961 1.00 0.00 N ATOM 1395 CA ASP A 90 -8.864 3.404 -6.246 1.00 0.00 C ATOM 1396 C ASP A 90 -7.448 3.351 -6.805 1.00 0.00 C ATOM 1397 O ASP A 90 -7.245 3.443 -8.016 1.00 0.00 O ATOM 1398 CB ASP A 90 -9.503 2.016 -6.324 1.00 0.00 C ATOM 1399 CG ASP A 90 -8.971 1.058 -5.266 1.00 0.00 C ATOM 1400 OD1 ASP A 90 -9.502 1.048 -4.181 1.00 0.00 O ATOM 1401 OD2 ASP A 90 -8.038 0.347 -5.553 1.00 0.00 O ATOM 0 H ASP A 90 -9.325 4.626 -7.887 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.812 3.716 -5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.583 2.112 -6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.323 1.594 -7.313 1.00 0.00 H new ATOM 1406 N ASN A 91 -6.472 3.201 -5.917 1.00 0.00 N ATOM 1407 CA ASN A 91 -5.068 3.247 -6.306 1.00 0.00 C ATOM 1408 C ASN A 91 -4.756 2.198 -7.366 1.00 0.00 C ATOM 1409 O ASN A 91 -5.015 1.011 -7.173 1.00 0.00 O ATOM 1410 CB ASN A 91 -4.171 3.066 -5.095 1.00 0.00 C ATOM 1411 CG ASN A 91 -2.735 3.405 -5.383 1.00 0.00 C ATOM 1412 OD1 ASN A 91 -2.159 2.932 -6.370 1.00 0.00 O ATOM 1413 ND2 ASN A 91 -2.146 4.214 -4.541 1.00 0.00 N ATOM 0 H ASN A 91 -6.628 3.046 -4.921 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.872 4.229 -6.738 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.533 3.695 -4.282 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.235 2.034 -4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.172 4.479 -4.685 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.661 4.580 -3.740 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.197 2.644 -8.486 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.052 1.794 -9.661 1.00 0.00 C ATOM 1422 C ALA A 92 -2.942 0.769 -9.466 1.00 0.00 C ATOM 1423 O ALA A 92 -2.797 -0.163 -10.258 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.779 2.639 -10.897 1.00 0.00 C ATOM 0 H ALA A 92 -3.837 3.591 -8.604 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.989 1.255 -9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.673 1.989 -11.766 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.609 3.327 -11.058 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.859 3.206 -10.754 1.00 0.00 H new ATOM 1430 N ALA A 93 -2.159 0.946 -8.407 1.00 0.00 N ATOM 1431 CA ALA A 93 -1.065 0.033 -8.101 1.00 0.00 C ATOM 1432 C ALA A 93 -1.589 -1.338 -7.694 1.00 0.00 C ATOM 1433 O ALA A 93 -0.874 -2.337 -7.778 1.00 0.00 O ATOM 1434 CB ALA A 93 -0.184 0.610 -7.002 1.00 0.00 C ATOM 0 H ALA A 93 -2.263 1.715 -7.745 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.467 -0.089 -9.004 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.628 -0.084 -6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.231 1.563 -7.331 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.779 0.765 -6.102 1.00 0.00 H new ATOM 1440 N SER A 94 -2.842 -1.380 -7.254 1.00 0.00 N ATOM 1441 CA SER A 94 -3.457 -2.625 -6.808 1.00 0.00 C ATOM 1442 C SER A 94 -3.571 -3.623 -7.953 1.00 0.00 C ATOM 1443 O SER A 94 -3.916 -3.257 -9.077 1.00 0.00 O ATOM 1444 CB SER A 94 -4.830 -2.351 -6.226 1.00 0.00 C ATOM 1445 OG SER A 94 -5.472 -3.544 -5.871 1.00 0.00 O ATOM 0 H SER A 94 -3.452 -0.565 -7.197 1.00 0.00 H new ATOM 0 HA SER A 94 -2.819 -3.058 -6.038 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.736 -1.710 -5.350 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.436 -1.810 -6.953 1.00 0.00 H new ATOM 0 HG SER A 94 -6.355 -3.342 -5.497 1.00 0.00 H new ATOM 1451 N GLU A 95 -3.278 -4.886 -7.662 1.00 0.00 N ATOM 1452 CA GLU A 95 -3.301 -5.932 -8.677 1.00 0.00 C ATOM 1453 C GLU A 95 -4.719 -6.197 -9.164 1.00 0.00 C ATOM 1454 O GLU A 95 -4.932 -6.556 -10.322 1.00 0.00 O ATOM 1455 CB GLU A 95 -2.690 -7.223 -8.127 1.00 0.00 C ATOM 1456 CG GLU A 95 -1.202 -7.132 -7.818 1.00 0.00 C ATOM 1457 CD GLU A 95 -0.369 -6.828 -9.032 1.00 0.00 C ATOM 1458 OE1 GLU A 95 -0.554 -7.477 -10.033 1.00 0.00 O ATOM 1459 OE2 GLU A 95 0.452 -5.945 -8.958 1.00 0.00 O ATOM 0 H GLU A 95 -3.021 -5.210 -6.730 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.707 -5.587 -9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.221 -7.503 -7.217 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.851 -8.023 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.039 -6.358 -7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.869 -8.074 -7.382 1.00 0.00 H new ATOM 1466 N LYS A 96 -5.688 -6.019 -8.272 1.00 0.00 N ATOM 1467 CA LYS A 96 -7.093 -6.187 -8.623 1.00 0.00 C ATOM 1468 C LYS A 96 -7.519 -5.184 -9.688 1.00 0.00 C ATOM 1469 O LYS A 96 -8.282 -5.514 -10.596 1.00 0.00 O ATOM 1470 CB LYS A 96 -7.976 -6.044 -7.383 1.00 0.00 C ATOM 1471 CG LYS A 96 -7.861 -7.196 -6.393 1.00 0.00 C ATOM 1472 CD LYS A 96 -8.755 -6.974 -5.181 1.00 0.00 C ATOM 1473 CE LYS A 96 -8.634 -8.119 -4.187 1.00 0.00 C ATOM 1474 NZ LYS A 96 -9.474 -7.898 -2.978 1.00 0.00 N ATOM 0 H LYS A 96 -5.525 -5.758 -7.299 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.216 -7.190 -9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.718 -5.116 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.015 -5.956 -7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.136 -8.129 -6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.825 -7.299 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.485 -6.037 -4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.792 -6.878 -5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.930 -9.051 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.592 -8.232 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.363 -8.701 -2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.175 -7.022 -2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.472 -7.816 -3.259 1.00 0.00 H new ATOM 1488 N ASN A 97 -7.021 -3.958 -9.571 1.00 0.00 N ATOM 1489 CA ASN A 97 -7.304 -2.919 -10.554 1.00 0.00 C ATOM 1490 C ASN A 97 -6.658 -3.240 -11.896 1.00 0.00 C ATOM 1491 O ASN A 97 -7.225 -2.957 -12.952 1.00 0.00 O ATOM 1492 CB ASN A 97 -6.841 -1.565 -10.049 1.00 0.00 C ATOM 1493 CG ASN A 97 -7.698 -1.043 -8.929 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -8.872 -1.410 -8.806 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -7.133 -0.193 -8.110 1.00 0.00 N ATOM 0 H ASN A 97 -6.419 -3.659 -8.804 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.383 -2.883 -10.702 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.809 -1.642 -9.707 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.851 -0.851 -10.873 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.665 0.195 -7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.161 0.081 -8.251 1.00 0.00 H new ATOM 1502 N LYS A 98 -5.470 -3.832 -11.849 1.00 0.00 N ATOM 1503 CA LYS A 98 -4.786 -4.276 -13.057 1.00 0.00 C ATOM 1504 C LYS A 98 -5.607 -5.319 -13.804 1.00 0.00 C ATOM 1505 O LYS A 98 -5.661 -5.317 -15.034 1.00 0.00 O ATOM 1506 CB LYS A 98 -3.406 -4.839 -12.716 1.00 0.00 C ATOM 1507 CG LYS A 98 -2.405 -3.800 -12.229 1.00 0.00 C ATOM 1508 CD LYS A 98 -1.072 -4.441 -11.872 1.00 0.00 C ATOM 1509 CE LYS A 98 -0.107 -3.422 -11.284 1.00 0.00 C ATOM 1510 NZ LYS A 98 1.182 -4.046 -10.878 1.00 0.00 N ATOM 0 H LYS A 98 -4.960 -4.016 -10.985 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.664 -3.410 -13.707 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.519 -5.605 -11.948 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.999 -5.331 -13.600 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.253 -3.047 -13.003 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.808 -3.284 -11.357 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.234 -5.247 -11.156 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.632 -4.890 -12.763 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.084 -2.638 -12.017 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.567 -2.944 -10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.864 -3.302 -10.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.025 -4.664 -10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.559 -4.608 -11.667 1.00 0.00 H new ATOM 1524 N GLU A 99 -6.247 -6.209 -13.053 1.00 0.00 N ATOM 1525 CA GLU A 99 -7.099 -7.236 -13.641 1.00 0.00 C ATOM 1526 C GLU A 99 -8.336 -6.623 -14.285 1.00 0.00 C ATOM 1527 O GLU A 99 -8.807 -7.094 -15.320 1.00 0.00 O ATOM 1528 CB GLU A 99 -7.518 -8.254 -12.578 1.00 0.00 C ATOM 1529 CG GLU A 99 -6.385 -9.135 -12.070 1.00 0.00 C ATOM 1530 CD GLU A 99 -5.774 -9.983 -13.151 1.00 0.00 C ATOM 1531 OE1 GLU A 99 -6.509 -10.618 -13.869 1.00 0.00 O ATOM 1532 OE2 GLU A 99 -4.570 -9.995 -13.260 1.00 0.00 O ATOM 0 H GLU A 99 -6.192 -6.240 -12.035 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.523 -7.743 -14.416 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.954 -7.721 -11.733 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.300 -8.891 -12.991 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.612 -8.506 -11.628 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.761 -9.781 -11.277 1.00 0.00 H new ATOM 1539 N GLU A 100 -8.858 -5.569 -13.667 1.00 0.00 N ATOM 1540 CA GLU A 100 -9.956 -4.806 -14.249 1.00 0.00 C ATOM 1541 C GLU A 100 -9.528 -4.125 -15.543 1.00 0.00 C ATOM 1542 O GLU A 100 -10.289 -4.072 -16.508 1.00 0.00 O ATOM 1543 CB GLU A 100 -10.464 -3.759 -13.254 1.00 0.00 C ATOM 1544 CG GLU A 100 -11.187 -4.339 -12.047 1.00 0.00 C ATOM 1545 CD GLU A 100 -11.736 -3.281 -11.131 1.00 0.00 C ATOM 1546 OE1 GLU A 100 -11.584 -2.122 -11.434 1.00 0.00 O ATOM 1547 OE2 GLU A 100 -12.309 -3.632 -10.126 1.00 0.00 O ATOM 0 H GLU A 100 -8.538 -5.223 -12.762 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.762 -5.503 -14.478 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.618 -3.166 -12.906 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.138 -3.078 -13.774 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.003 -4.975 -12.390 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.500 -4.975 -11.489 1.00 0.00 H new ATOM 1554 N LEU A 101 -8.305 -3.606 -15.556 1.00 0.00 N ATOM 1555 CA LEU A 101 -7.759 -2.961 -16.744 1.00 0.00 C ATOM 1556 C LEU A 101 -7.595 -3.957 -17.885 1.00 0.00 C ATOM 1557 O LEU A 101 -7.745 -3.605 -19.055 1.00 0.00 O ATOM 1558 CB LEU A 101 -6.405 -2.316 -16.422 1.00 0.00 C ATOM 1559 CG LEU A 101 -6.456 -1.084 -15.509 1.00 0.00 C ATOM 1560 CD1 LEU A 101 -5.038 -0.661 -15.147 1.00 0.00 C ATOM 1561 CD2 LEU A 101 -7.199 0.041 -16.214 1.00 0.00 C ATOM 0 H LEU A 101 -7.672 -3.620 -14.756 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.462 -2.190 -17.059 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.768 -3.066 -15.954 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.927 -2.032 -17.359 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.989 -1.324 -14.589 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.074 0.214 -14.498 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.536 -1.477 -14.628 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.488 -0.417 -16.056 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.235 0.916 -15.565 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.681 0.296 -17.138 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -8.214 -0.282 -16.444 1.00 0.00 H new ATOM 1573 N LYS A 102 -7.287 -5.202 -17.537 1.00 0.00 N ATOM 1574 CA LYS A 102 -7.195 -6.272 -18.523 1.00 0.00 C ATOM 1575 C LYS A 102 -8.535 -6.508 -19.207 1.00 0.00 C ATOM 1576 O LYS A 102 -8.595 -6.725 -20.417 1.00 0.00 O ATOM 1577 CB LYS A 102 -6.704 -7.564 -17.867 1.00 0.00 C ATOM 1578 CG LYS A 102 -5.237 -7.543 -17.457 1.00 0.00 C ATOM 1579 CD LYS A 102 -4.841 -8.835 -16.758 1.00 0.00 C ATOM 1580 CE LYS A 102 -3.389 -8.797 -16.305 1.00 0.00 C ATOM 1581 NZ LYS A 102 -3.004 -10.030 -15.566 1.00 0.00 N ATOM 0 H LYS A 102 -7.097 -5.495 -16.579 1.00 0.00 H new ATOM 0 HA LYS A 102 -6.475 -5.965 -19.282 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.312 -7.763 -16.985 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.864 -8.392 -18.558 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.613 -7.398 -18.339 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.054 -6.697 -16.794 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.489 -8.998 -15.897 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.991 -9.677 -17.434 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -2.741 -8.677 -17.173 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.231 -7.927 -15.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.055 -9.909 -15.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.688 -10.205 -14.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.000 -10.839 -16.219 1.00 0.00 H new ATOM 1595 N SER A 103 -9.608 -6.466 -18.425 1.00 0.00 N ATOM 1596 CA SER A 103 -10.953 -6.650 -18.959 1.00 0.00 C ATOM 1597 C SER A 103 -11.411 -5.421 -19.733 1.00 0.00 C ATOM 1598 O SER A 103 -12.223 -5.521 -20.652 1.00 0.00 O ATOM 1599 CB SER A 103 -11.926 -6.941 -17.833 1.00 0.00 C ATOM 1600 OG SER A 103 -12.119 -5.809 -17.031 1.00 0.00 O ATOM 0 H SER A 103 -9.573 -6.306 -17.418 1.00 0.00 H new ATOM 0 HA SER A 103 -10.930 -7.497 -19.645 1.00 0.00 H new ATOM 0 HB2 SER A 103 -12.881 -7.265 -18.247 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.548 -7.762 -17.224 1.00 0.00 H new ATOM 0 HG SER A 103 -11.254 -5.389 -16.845 1.00 0.00 H new ATOM 1606 N LEU A 104 -10.885 -4.260 -19.356 1.00 0.00 N ATOM 1607 CA LEU A 104 -11.152 -3.025 -20.084 1.00 0.00 C ATOM 1608 C LEU A 104 -10.350 -2.963 -21.378 1.00 0.00 C ATOM 1609 O LEU A 104 -10.802 -2.396 -22.372 1.00 0.00 O ATOM 1610 CB LEU A 104 -10.817 -1.811 -19.209 1.00 0.00 C ATOM 1611 CG LEU A 104 -11.744 -1.581 -18.008 1.00 0.00 C ATOM 1612 CD1 LEU A 104 -11.182 -0.464 -17.139 1.00 0.00 C ATOM 1613 CD2 LEU A 104 -13.141 -1.238 -18.503 1.00 0.00 C ATOM 0 H LEU A 104 -10.271 -4.149 -18.549 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.212 -3.008 -20.336 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.797 -1.922 -18.841 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.835 -0.919 -19.835 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.805 -2.488 -17.406 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -11.840 -0.300 -16.286 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.190 -0.743 -16.784 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.113 0.453 -17.725 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -13.799 -1.075 -17.650 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -13.100 -0.333 -19.109 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -13.526 -2.061 -19.106 1.00 0.00 H new ATOM 1625 N GLY A 105 -9.159 -3.550 -21.358 1.00 0.00 N ATOM 1626 CA GLY A 105 -8.281 -3.543 -22.522 1.00 0.00 C ATOM 1627 C GLY A 105 -7.469 -2.256 -22.592 1.00 0.00 C ATOM 1628 O GLY A 105 -7.134 -1.781 -23.676 1.00 0.00 O ATOM 0 H GLY A 105 -8.779 -4.038 -20.547 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.608 -4.399 -22.478 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.875 -3.651 -23.429 1.00 0.00 H new ATOM 1632 N THR A 106 -7.155 -1.697 -21.428 1.00 0.00 N ATOM 1633 CA THR A 106 -6.411 -0.446 -21.356 1.00 0.00 C ATOM 1634 C THR A 106 -5.159 -0.598 -20.502 1.00 0.00 C ATOM 1635 O THR A 106 -4.173 -1.101 -20.967 1.00 0.00 O ATOM 1636 CB THR A 106 -7.287 0.689 -20.791 1.00 0.00 C ATOM 1637 OG1 THR A 106 -8.410 0.903 -21.655 1.00 0.00 O ATOM 1638 CG2 THR A 106 -6.485 1.976 -20.679 1.00 0.00 C ATOM 0 H THR A 106 -7.405 -2.091 -20.521 1.00 0.00 H new ATOM 0 HA THR A 106 -6.113 -0.189 -22.373 1.00 0.00 H new ATOM 0 HB THR A 106 -7.633 0.402 -19.798 1.00 0.00 H new ATOM 0 HG1 THR A 106 -8.524 1.864 -21.811 1.00 0.00 H new ATOM 0 HG21 THR A 106 -7.120 2.766 -20.278 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.637 1.819 -20.013 1.00 0.00 H new ATOM 0 HG23 THR A 106 -6.123 2.266 -21.665 1.00 0.00 H new TER 1646 THR A 106