USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 849 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 78 ASN : amide:sc= -1.59 K(o=-4.4,f=-1) USER MOD Set 1.2: A 92 ASN : amide:sc= -2.81! K(o=-4.4!,f=-1) USER MOD Set 2.1: A 28 THR OG1 : rot -170:sc=-0.00846 USER MOD Set 2.2: A 59 GLN : amide:sc=-0.00789 K(o=-0.016,f=1.2) USER MOD Set 3.1: A 8 SER OG : rot 180:sc= -0.0781 USER MOD Set 3.2: A 37 GLN : amide:sc= -5.63! C(o=-5.7!,f=-2.6!) USER MOD Set 4.1: A 7 CYS SG : rot 120:sc= -0.787 USER MOD Set 4.2: A 101 GLN : amide:sc= -3.27! K(o=-4.1!,f=-1) USER MOD Single : A 4 THR OG1 : rot 27:sc= 0.0353 USER MOD Single : A 9 SER OG : rot -136:sc= -2.43 USER MOD Single : A 12 THR OG1 : rot -15:sc= 0.61 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 80:sc= -1.73 USER MOD Single : A 20 ASN : amide:sc= -0.445 X(o=-0.44,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -114:sc= 0.819 (180deg=-0.741) USER MOD Single : A 31 GLN : amide:sc= -2.05 K(o=-2,f=0.18) USER MOD Single : A 34 SER OG : rot -120:sc= -0.486 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-0.98) USER MOD Single : A 41 ASN : amide:sc= -0.584 K(o=-0.58,f=-5.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.093) USER MOD Single : A 46 SER OG : rot 180:sc= -0.067 USER MOD Single : A 53 LYS NZ :NH3+ 153:sc= -0.986 (180deg=-1.49) USER MOD Single : A 54 MET CE :methyl -148:sc= -0.061 (180deg=-1.66!) USER MOD Single : A 55 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.5!) USER MOD Single : A 58 GLN : amide:sc=-0.00886 X(o=-0.0089,f=-0.48) USER MOD Single : A 63 ASN : amide:sc= -1.53 K(o=-1.5,f=-4.6!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -164:sc= 0.298 USER MOD Single : A 73 ASN : amide:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.013) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00952 USER MOD Single : A 80 HIS : no HE2:sc= -8.23! C(o=-8.2!,f=-8.6!) USER MOD Single : A 81 GLN : amide:sc= -5.8! C(o=-5.8!,f=-6.2!) USER MOD Single : A 87 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.055) USER MOD Single : A 95 SER OG : rot 180:sc= -0.0995 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -120:sc= -10.8! (180deg=-15.8!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 11.904 9.581 4.314 1.00 0.00 N ATOM 47 CA THR A 4 11.752 10.133 2.972 1.00 0.00 C ATOM 48 C THR A 4 10.765 9.308 2.149 1.00 0.00 C ATOM 49 O THR A 4 11.024 8.147 1.834 1.00 0.00 O ATOM 50 CB THR A 4 13.110 10.181 2.264 1.00 0.00 C ATOM 51 OG1 THR A 4 13.998 11.049 2.944 1.00 0.00 O ATOM 52 CG2 THR A 4 13.024 10.646 0.825 1.00 0.00 C ATOM 0 HA THR A 4 11.359 11.146 3.065 1.00 0.00 H new ATOM 0 HB THR A 4 13.475 9.154 2.273 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.750 11.094 3.891 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.021 10.656 0.386 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.386 9.966 0.261 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.603 11.651 0.792 1.00 0.00 H new ATOM 60 N VAL A 5 9.638 9.918 1.799 1.00 0.00 N ATOM 61 CA VAL A 5 8.619 9.239 1.007 1.00 0.00 C ATOM 62 C VAL A 5 9.144 8.935 -0.394 1.00 0.00 C ATOM 63 O VAL A 5 9.976 9.670 -0.928 1.00 0.00 O ATOM 64 CB VAL A 5 7.326 10.081 0.911 1.00 0.00 C ATOM 65 CG1 VAL A 5 6.423 9.579 -0.206 1.00 0.00 C ATOM 66 CG2 VAL A 5 6.584 10.068 2.238 1.00 0.00 C ATOM 0 H VAL A 5 9.407 10.879 2.050 1.00 0.00 H new ATOM 0 HA VAL A 5 8.381 8.302 1.511 1.00 0.00 H new ATOM 0 HB VAL A 5 7.611 11.107 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.522 10.191 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.951 9.644 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.148 8.542 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.676 10.665 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.321 9.043 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.222 10.487 3.016 1.00 0.00 H new ATOM 76 N ILE A 6 8.663 7.843 -0.985 1.00 0.00 N ATOM 77 CA ILE A 6 9.101 7.447 -2.320 1.00 0.00 C ATOM 78 C ILE A 6 8.095 7.854 -3.393 1.00 0.00 C ATOM 79 O ILE A 6 8.346 8.775 -4.172 1.00 0.00 O ATOM 80 CB ILE A 6 9.342 5.927 -2.419 1.00 0.00 C ATOM 81 CG1 ILE A 6 9.780 5.361 -1.064 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.380 5.637 -3.491 1.00 0.00 C ATOM 83 CD1 ILE A 6 10.512 4.039 -1.155 1.00 0.00 C ATOM 0 H ILE A 6 7.974 7.221 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 6 10.041 7.971 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 6 8.409 5.438 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.425 6.088 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.900 5.234 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.546 4.562 -3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.024 6.008 -4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.316 6.133 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.788 3.706 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.864 3.295 -1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.412 4.162 -1.757 1.00 0.00 H new ATOM 95 N CYS A 7 6.965 7.155 -3.444 1.00 0.00 N ATOM 96 CA CYS A 7 5.937 7.441 -4.438 1.00 0.00 C ATOM 97 C CYS A 7 4.606 7.785 -3.780 1.00 0.00 C ATOM 98 O CYS A 7 4.491 7.789 -2.555 1.00 0.00 O ATOM 99 CB CYS A 7 5.766 6.243 -5.373 1.00 0.00 C ATOM 100 SG CYS A 7 6.175 6.592 -7.099 1.00 0.00 S ATOM 0 H CYS A 7 6.739 6.389 -2.810 1.00 0.00 H new ATOM 0 HA CYS A 7 6.259 8.308 -5.015 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.396 5.427 -5.019 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.734 5.897 -5.318 1.00 0.00 H new ATOM 0 HG CYS A 7 7.144 5.814 -7.481 1.00 0.00 H new ATOM 106 N SER A 8 3.604 8.069 -4.607 1.00 0.00 N ATOM 107 CA SER A 8 2.275 8.418 -4.113 1.00 0.00 C ATOM 108 C SER A 8 1.204 8.085 -5.147 1.00 0.00 C ATOM 109 O SER A 8 1.255 8.564 -6.280 1.00 0.00 O ATOM 110 CB SER A 8 2.207 9.909 -3.767 1.00 0.00 C ATOM 111 OG SER A 8 3.377 10.588 -4.189 1.00 0.00 O ATOM 0 H SER A 8 3.687 8.064 -5.624 1.00 0.00 H new ATOM 0 HA SER A 8 2.089 7.831 -3.214 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.333 10.355 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.082 10.030 -2.691 1.00 0.00 H new ATOM 0 HG SER A 8 3.306 11.537 -3.957 1.00 0.00 H new ATOM 117 N SER A 9 0.237 7.262 -4.755 1.00 0.00 N ATOM 118 CA SER A 9 -0.838 6.875 -5.666 1.00 0.00 C ATOM 119 C SER A 9 -2.210 6.989 -5.006 1.00 0.00 C ATOM 120 O SER A 9 -2.340 6.874 -3.786 1.00 0.00 O ATOM 121 CB SER A 9 -0.621 5.446 -6.153 1.00 0.00 C ATOM 122 OG SER A 9 -1.619 5.068 -7.085 1.00 0.00 O ATOM 0 H SER A 9 0.174 6.853 -3.823 1.00 0.00 H new ATOM 0 HA SER A 9 -0.814 7.562 -6.512 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.363 5.361 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.635 4.763 -5.304 1.00 0.00 H new ATOM 0 HG SER A 9 -1.930 4.161 -6.881 1.00 0.00 H new ATOM 128 N ARG A 10 -3.236 7.198 -5.830 1.00 0.00 N ATOM 129 CA ARG A 10 -4.609 7.312 -5.345 1.00 0.00 C ATOM 130 C ARG A 10 -5.311 5.960 -5.445 1.00 0.00 C ATOM 131 O ARG A 10 -5.294 5.320 -6.499 1.00 0.00 O ATOM 132 CB ARG A 10 -5.377 8.362 -6.150 1.00 0.00 C ATOM 133 CG ARG A 10 -6.762 8.662 -5.595 1.00 0.00 C ATOM 134 CD ARG A 10 -7.858 8.303 -6.588 1.00 0.00 C ATOM 135 NE ARG A 10 -8.786 9.411 -6.804 1.00 0.00 N ATOM 136 CZ ARG A 10 -8.543 10.432 -7.622 1.00 0.00 C ATOM 137 NH1 ARG A 10 -7.403 10.495 -8.298 1.00 0.00 N ATOM 138 NH2 ARG A 10 -9.442 11.398 -7.762 1.00 0.00 N ATOM 0 H ARG A 10 -3.140 7.292 -6.841 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.584 7.625 -4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.797 9.285 -6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.474 8.019 -7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.912 8.104 -4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.832 9.720 -5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.407 8.018 -7.538 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.408 7.436 -6.223 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.672 9.401 -6.298 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.706 9.758 -8.192 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.224 11.281 -8.923 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.319 11.358 -7.243 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.256 12.181 -8.389 1.00 0.00 H new ATOM 152 N ALA A 11 -5.921 5.522 -4.345 1.00 0.00 N ATOM 153 CA ALA A 11 -6.605 4.234 -4.327 1.00 0.00 C ATOM 154 C ALA A 11 -7.272 3.968 -2.985 1.00 0.00 C ATOM 155 O ALA A 11 -6.872 4.517 -1.960 1.00 0.00 O ATOM 156 CB ALA A 11 -5.618 3.119 -4.635 1.00 0.00 C ATOM 0 H ALA A 11 -5.955 6.035 -3.464 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.383 4.262 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.136 2.160 -4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.183 3.281 -5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.827 3.116 -3.885 1.00 0.00 H new ATOM 162 N THR A 12 -8.280 3.103 -3.000 1.00 0.00 N ATOM 163 CA THR A 12 -8.994 2.744 -1.783 1.00 0.00 C ATOM 164 C THR A 12 -8.393 1.483 -1.175 1.00 0.00 C ATOM 165 O THR A 12 -8.799 0.369 -1.507 1.00 0.00 O ATOM 166 CB THR A 12 -10.479 2.527 -2.081 1.00 0.00 C ATOM 167 OG1 THR A 12 -10.925 3.422 -3.084 1.00 0.00 O ATOM 168 CG2 THR A 12 -11.366 2.714 -0.870 1.00 0.00 C ATOM 0 H THR A 12 -8.620 2.638 -3.842 1.00 0.00 H new ATOM 0 HA THR A 12 -8.897 3.562 -1.069 1.00 0.00 H new ATOM 0 HB THR A 12 -10.559 1.492 -2.412 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.268 4.140 -3.197 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.406 2.546 -1.151 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.080 2.002 -0.096 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.253 3.729 -0.489 1.00 0.00 H new ATOM 176 N VAL A 13 -7.415 1.668 -0.290 1.00 0.00 N ATOM 177 CA VAL A 13 -6.741 0.549 0.365 1.00 0.00 C ATOM 178 C VAL A 13 -7.735 -0.530 0.791 1.00 0.00 C ATOM 179 O VAL A 13 -8.928 -0.265 0.947 1.00 0.00 O ATOM 180 CB VAL A 13 -5.928 1.027 1.586 1.00 0.00 C ATOM 181 CG1 VAL A 13 -5.380 -0.154 2.379 1.00 0.00 C ATOM 182 CG2 VAL A 13 -4.796 1.940 1.138 1.00 0.00 C ATOM 0 H VAL A 13 -7.071 2.586 -0.009 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.056 0.116 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.595 1.588 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.812 0.214 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.207 -0.771 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.729 -0.751 1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.229 2.271 2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.137 1.397 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.210 2.807 0.623 1.00 0.00 H new ATOM 192 N MET A 14 -7.236 -1.749 0.959 1.00 0.00 N ATOM 193 CA MET A 14 -8.075 -2.874 1.347 1.00 0.00 C ATOM 194 C MET A 14 -7.254 -3.970 2.021 1.00 0.00 C ATOM 195 O MET A 14 -6.115 -4.234 1.637 1.00 0.00 O ATOM 196 CB MET A 14 -8.800 -3.444 0.119 1.00 0.00 C ATOM 197 CG MET A 14 -10.312 -3.419 0.260 1.00 0.00 C ATOM 198 SD MET A 14 -11.175 -3.532 -1.317 1.00 0.00 S ATOM 199 CE MET A 14 -12.875 -3.392 -0.768 1.00 0.00 C ATOM 0 H MET A 14 -6.251 -1.983 0.832 1.00 0.00 H new ATOM 0 HA MET A 14 -8.812 -2.511 2.064 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.513 -2.872 -0.764 1.00 0.00 H new ATOM 0 HB3 MET A 14 -8.473 -4.471 -0.046 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.624 -4.246 0.898 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.608 -2.499 0.764 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.541 -3.444 -1.629 1.00 0.00 H new ATOM 0 HE2 MET A 14 -13.104 -4.208 -0.082 1.00 0.00 H new ATOM 0 HE3 MET A 14 -13.015 -2.439 -0.258 1.00 0.00 H new ATOM 209 N LEU A 15 -7.848 -4.612 3.023 1.00 0.00 N ATOM 210 CA LEU A 15 -7.183 -5.690 3.748 1.00 0.00 C ATOM 211 C LEU A 15 -7.977 -6.985 3.614 1.00 0.00 C ATOM 212 O LEU A 15 -9.161 -7.034 3.946 1.00 0.00 O ATOM 213 CB LEU A 15 -7.028 -5.325 5.228 1.00 0.00 C ATOM 214 CG LEU A 15 -5.711 -4.640 5.601 1.00 0.00 C ATOM 215 CD1 LEU A 15 -5.595 -4.503 7.111 1.00 0.00 C ATOM 216 CD2 LEU A 15 -4.522 -5.410 5.042 1.00 0.00 C ATOM 0 H LEU A 15 -8.791 -4.404 3.352 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.193 -5.834 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.852 -4.670 5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.126 -6.234 5.821 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.707 -3.643 5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.653 -4.014 7.361 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.425 -3.905 7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.623 -5.492 7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.598 -4.904 5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.519 -6.421 5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.597 -5.457 3.956 1.00 0.00 H new ATOM 228 N TYR A 16 -7.325 -8.030 3.116 1.00 0.00 N ATOM 229 CA TYR A 16 -7.987 -9.316 2.931 1.00 0.00 C ATOM 230 C TYR A 16 -8.083 -10.095 4.234 1.00 0.00 C ATOM 231 O TYR A 16 -7.165 -10.081 5.054 1.00 0.00 O ATOM 232 CB TYR A 16 -7.247 -10.163 1.897 1.00 0.00 C ATOM 233 CG TYR A 16 -8.114 -11.221 1.259 1.00 0.00 C ATOM 234 CD1 TYR A 16 -8.937 -10.916 0.184 1.00 0.00 C ATOM 235 CD2 TYR A 16 -8.111 -12.526 1.737 1.00 0.00 C ATOM 236 CE1 TYR A 16 -9.735 -11.880 -0.399 1.00 0.00 C ATOM 237 CE2 TYR A 16 -8.904 -13.498 1.161 1.00 0.00 C ATOM 238 CZ TYR A 16 -9.715 -13.170 0.092 1.00 0.00 C ATOM 239 OH TYR A 16 -10.508 -14.133 -0.486 1.00 0.00 O ATOM 0 H TYR A 16 -6.345 -8.013 2.835 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.996 -9.103 2.577 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.851 -9.510 1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.393 -10.643 2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.953 -9.908 -0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.478 -12.784 2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.371 -11.626 -1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.890 -14.508 1.543 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.080 -14.462 -1.304 1.00 0.00 H new ATOM 249 N ASP A 17 -9.197 -10.795 4.399 1.00 0.00 N ATOM 250 CA ASP A 17 -9.425 -11.613 5.580 1.00 0.00 C ATOM 251 C ASP A 17 -9.508 -13.082 5.176 1.00 0.00 C ATOM 252 O ASP A 17 -10.596 -13.650 5.083 1.00 0.00 O ATOM 253 CB ASP A 17 -10.712 -11.182 6.290 1.00 0.00 C ATOM 254 CG ASP A 17 -10.536 -11.078 7.791 1.00 0.00 C ATOM 255 OD1 ASP A 17 -10.001 -12.033 8.393 1.00 0.00 O ATOM 256 OD2 ASP A 17 -10.934 -10.043 8.366 1.00 0.00 O ATOM 0 H ASP A 17 -9.961 -10.812 3.724 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.593 -11.479 6.271 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.035 -10.218 5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.503 -11.898 6.068 1.00 0.00 H new ATOM 261 N ASP A 18 -8.349 -13.684 4.917 1.00 0.00 N ATOM 262 CA ASP A 18 -8.284 -15.083 4.500 1.00 0.00 C ATOM 263 C ASP A 18 -9.173 -15.967 5.372 1.00 0.00 C ATOM 264 O ASP A 18 -9.683 -16.990 4.916 1.00 0.00 O ATOM 265 CB ASP A 18 -6.840 -15.582 4.540 1.00 0.00 C ATOM 266 CG ASP A 18 -6.202 -15.612 3.165 1.00 0.00 C ATOM 267 OD1 ASP A 18 -5.776 -14.540 2.685 1.00 0.00 O ATOM 268 OD2 ASP A 18 -6.126 -16.707 2.569 1.00 0.00 O ATOM 0 H ASP A 18 -7.441 -13.224 4.989 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.653 -15.143 3.476 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.254 -14.938 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.816 -16.583 4.971 1.00 0.00 H new ATOM 273 N GLY A 19 -9.363 -15.561 6.625 1.00 0.00 N ATOM 274 CA GLY A 19 -10.202 -16.329 7.527 1.00 0.00 C ATOM 275 C GLY A 19 -11.587 -16.561 6.954 1.00 0.00 C ATOM 276 O GLY A 19 -12.238 -17.559 7.264 1.00 0.00 O ATOM 0 H GLY A 19 -8.953 -14.719 7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.729 -17.289 7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.286 -15.805 8.479 1.00 0.00 H new ATOM 280 N ASN A 20 -12.032 -15.635 6.110 1.00 0.00 N ATOM 281 CA ASN A 20 -13.344 -15.735 5.480 1.00 0.00 C ATOM 282 C ASN A 20 -13.248 -15.557 3.962 1.00 0.00 C ATOM 283 O ASN A 20 -14.261 -15.591 3.264 1.00 0.00 O ATOM 284 CB ASN A 20 -14.293 -14.688 6.065 1.00 0.00 C ATOM 285 CG ASN A 20 -14.615 -14.950 7.524 1.00 0.00 C ATOM 286 OD1 ASN A 20 -15.722 -15.369 7.862 1.00 0.00 O ATOM 287 ND2 ASN A 20 -13.645 -14.704 8.397 1.00 0.00 N ATOM 0 H ASN A 20 -11.501 -14.805 5.846 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.736 -16.732 5.683 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.844 -13.700 5.967 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -15.218 -14.677 5.488 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.803 -14.862 9.392 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.742 -14.357 8.072 1.00 0.00 H new ATOM 294 N LYS A 21 -12.030 -15.368 3.455 1.00 0.00 N ATOM 295 CA LYS A 21 -11.819 -15.188 2.022 1.00 0.00 C ATOM 296 C LYS A 21 -12.604 -13.986 1.502 1.00 0.00 C ATOM 297 O LYS A 21 -13.698 -14.135 0.958 1.00 0.00 O ATOM 298 CB LYS A 21 -12.226 -16.456 1.267 1.00 0.00 C ATOM 299 CG LYS A 21 -11.126 -17.022 0.383 1.00 0.00 C ATOM 300 CD LYS A 21 -9.877 -17.344 1.185 1.00 0.00 C ATOM 301 CE LYS A 21 -8.927 -18.236 0.403 1.00 0.00 C ATOM 302 NZ LYS A 21 -7.505 -17.990 0.772 1.00 0.00 N ATOM 0 H LYS A 21 -11.178 -15.336 4.015 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.759 -14.999 1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.528 -17.216 1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.098 -16.237 0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.484 -17.924 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.882 -16.304 -0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.369 -16.419 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.158 -17.837 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.175 -19.281 0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.061 -18.061 -0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.999 -17.588 -0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.464 -17.323 1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.058 -18.887 1.048 1.00 0.00 H new ATOM 316 N ARG A 22 -12.039 -12.793 1.676 1.00 0.00 N ATOM 317 CA ARG A 22 -12.687 -11.564 1.225 1.00 0.00 C ATOM 318 C ARG A 22 -11.877 -10.337 1.638 1.00 0.00 C ATOM 319 O ARG A 22 -11.038 -10.411 2.536 1.00 0.00 O ATOM 320 CB ARG A 22 -14.102 -11.466 1.802 1.00 0.00 C ATOM 321 CG ARG A 22 -14.189 -11.858 3.268 1.00 0.00 C ATOM 322 CD ARG A 22 -15.168 -10.976 4.026 1.00 0.00 C ATOM 323 NE ARG A 22 -15.767 -11.675 5.159 1.00 0.00 N ATOM 324 CZ ARG A 22 -16.890 -11.289 5.761 1.00 0.00 C ATOM 325 NH1 ARG A 22 -17.540 -10.210 5.340 1.00 0.00 N ATOM 326 NH2 ARG A 22 -17.364 -11.984 6.786 1.00 0.00 N ATOM 0 H ARG A 22 -11.134 -12.652 2.126 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.744 -11.594 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.463 -10.444 1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.767 -12.107 1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.499 -12.900 3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.202 -11.783 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.652 -10.084 4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.954 -10.641 3.349 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.297 -12.509 5.511 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.179 -9.673 4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.400 -9.919 5.805 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.868 -12.813 7.113 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.224 -11.689 7.248 1.00 0.00 H new ATOM 340 N TRP A 23 -12.139 -9.210 0.983 1.00 0.00 N ATOM 341 CA TRP A 23 -11.437 -7.968 1.290 1.00 0.00 C ATOM 342 C TRP A 23 -12.052 -7.289 2.508 1.00 0.00 C ATOM 343 O TRP A 23 -13.093 -7.712 3.009 1.00 0.00 O ATOM 344 CB TRP A 23 -11.480 -7.012 0.095 1.00 0.00 C ATOM 345 CG TRP A 23 -10.509 -7.361 -0.990 1.00 0.00 C ATOM 346 CD1 TRP A 23 -10.807 -7.629 -2.291 1.00 0.00 C ATOM 347 CD2 TRP A 23 -9.088 -7.474 -0.872 1.00 0.00 C ATOM 348 NE1 TRP A 23 -9.662 -7.916 -2.991 1.00 0.00 N ATOM 349 CE2 TRP A 23 -8.592 -7.826 -2.142 1.00 0.00 C ATOM 350 CE3 TRP A 23 -8.185 -7.315 0.182 1.00 0.00 C ATOM 351 CZ2 TRP A 23 -7.236 -8.023 -2.384 1.00 0.00 C ATOM 352 CZ3 TRP A 23 -6.838 -7.510 -0.061 1.00 0.00 C ATOM 353 CH2 TRP A 23 -6.376 -7.861 -1.335 1.00 0.00 C ATOM 0 H TRP A 23 -12.831 -9.131 0.238 1.00 0.00 H new ATOM 0 HA TRP A 23 -10.399 -8.217 1.508 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.488 -7.008 -0.319 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.274 -6.000 0.443 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -11.802 -7.617 -2.712 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -9.616 -8.157 -3.981 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.533 -7.045 1.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.876 -8.294 -3.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.130 -7.389 0.746 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -5.317 -8.007 -1.492 1.00 0.00 H new ATOM 364 N LEU A 24 -11.401 -6.231 2.975 1.00 0.00 N ATOM 365 CA LEU A 24 -11.882 -5.486 4.131 1.00 0.00 C ATOM 366 C LEU A 24 -11.048 -4.223 4.344 1.00 0.00 C ATOM 367 O LEU A 24 -9.851 -4.304 4.616 1.00 0.00 O ATOM 368 CB LEU A 24 -11.834 -6.365 5.383 1.00 0.00 C ATOM 369 CG LEU A 24 -13.197 -6.830 5.901 1.00 0.00 C ATOM 370 CD1 LEU A 24 -13.037 -7.612 7.195 1.00 0.00 C ATOM 371 CD2 LEU A 24 -14.123 -5.641 6.104 1.00 0.00 C ATOM 0 H LEU A 24 -10.537 -5.869 2.570 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.915 -5.191 3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.225 -7.243 5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.330 -5.813 6.176 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.643 -7.489 5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.016 -7.935 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.410 -8.485 7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.570 -6.977 7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.088 -5.990 6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.683 -4.957 6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.263 -5.123 5.155 1.00 0.00 H new ATOM 383 N PRO A 25 -11.671 -3.036 4.220 1.00 0.00 N ATOM 384 CA PRO A 25 -10.984 -1.755 4.396 1.00 0.00 C ATOM 385 C PRO A 25 -9.985 -1.775 5.550 1.00 0.00 C ATOM 386 O PRO A 25 -10.356 -1.975 6.707 1.00 0.00 O ATOM 387 CB PRO A 25 -12.134 -0.797 4.690 1.00 0.00 C ATOM 388 CG PRO A 25 -13.281 -1.350 3.913 1.00 0.00 C ATOM 389 CD PRO A 25 -13.098 -2.848 3.892 1.00 0.00 C ATOM 0 HA PRO A 25 -10.387 -1.482 3.526 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.357 -0.759 5.756 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.895 0.220 4.378 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.230 -1.081 4.377 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -13.295 -0.946 2.901 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.743 -3.340 4.620 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.342 -3.267 2.916 1.00 0.00 H new ATOM 397 N ALA A 26 -8.713 -1.573 5.221 1.00 0.00 N ATOM 398 CA ALA A 26 -7.647 -1.574 6.218 1.00 0.00 C ATOM 399 C ALA A 26 -7.928 -0.587 7.344 1.00 0.00 C ATOM 400 O ALA A 26 -7.898 -0.945 8.521 1.00 0.00 O ATOM 401 CB ALA A 26 -6.316 -1.254 5.557 1.00 0.00 C ATOM 0 H ALA A 26 -8.394 -1.406 4.267 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.601 -2.570 6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.527 -1.257 6.309 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.097 -2.005 4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.369 -0.270 5.090 1.00 0.00 H new ATOM 407 N GLY A 27 -8.188 0.659 6.970 1.00 0.00 N ATOM 408 CA GLY A 27 -8.463 1.700 7.949 1.00 0.00 C ATOM 409 C GLY A 27 -9.537 1.312 8.950 1.00 0.00 C ATOM 410 O GLY A 27 -9.303 0.491 9.837 1.00 0.00 O ATOM 0 H GLY A 27 -8.214 0.972 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.544 1.937 8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.771 2.607 7.429 1.00 0.00 H new ATOM 414 N THR A 28 -10.717 1.911 8.817 1.00 0.00 N ATOM 415 CA THR A 28 -11.822 1.626 9.725 1.00 0.00 C ATOM 416 C THR A 28 -13.096 1.286 8.954 1.00 0.00 C ATOM 417 O THR A 28 -13.439 0.115 8.789 1.00 0.00 O ATOM 418 CB THR A 28 -12.064 2.816 10.657 1.00 0.00 C ATOM 419 OG1 THR A 28 -10.918 3.070 11.451 1.00 0.00 O ATOM 420 CG2 THR A 28 -13.236 2.619 11.596 1.00 0.00 C ATOM 0 H THR A 28 -10.932 2.595 8.091 1.00 0.00 H new ATOM 0 HA THR A 28 -11.551 0.758 10.325 1.00 0.00 H new ATOM 0 HB THR A 28 -12.286 3.655 9.998 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.140 3.725 12.146 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.349 3.501 12.227 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.146 2.469 11.015 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.057 1.745 12.223 1.00 0.00 H new ATOM 428 N GLY A 29 -13.796 2.314 8.489 1.00 0.00 N ATOM 429 CA GLY A 29 -15.025 2.098 7.746 1.00 0.00 C ATOM 430 C GLY A 29 -15.162 3.030 6.555 1.00 0.00 C ATOM 431 O GLY A 29 -15.060 2.591 5.410 1.00 0.00 O ATOM 0 H GLY A 29 -13.536 3.292 8.613 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.058 1.065 7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.877 2.238 8.412 1.00 0.00 H new ATOM 435 N PRO A 30 -15.397 4.332 6.794 1.00 0.00 N ATOM 436 CA PRO A 30 -15.548 5.319 5.720 1.00 0.00 C ATOM 437 C PRO A 30 -14.460 5.194 4.659 1.00 0.00 C ATOM 438 O PRO A 30 -13.363 4.711 4.937 1.00 0.00 O ATOM 439 CB PRO A 30 -15.429 6.652 6.456 1.00 0.00 C ATOM 440 CG PRO A 30 -15.932 6.366 7.827 1.00 0.00 C ATOM 441 CD PRO A 30 -15.535 4.945 8.130 1.00 0.00 C ATOM 0 HA PRO A 30 -16.485 5.196 5.177 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.397 7.003 6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.020 7.428 5.970 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.499 7.055 8.552 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.014 6.488 7.878 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.601 4.900 8.690 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.291 4.436 8.729 1.00 0.00 H new ATOM 449 N GLN A 31 -14.773 5.629 3.442 1.00 0.00 N ATOM 450 CA GLN A 31 -13.816 5.558 2.344 1.00 0.00 C ATOM 451 C GLN A 31 -13.998 6.720 1.371 1.00 0.00 C ATOM 452 O GLN A 31 -15.020 7.405 1.383 1.00 0.00 O ATOM 453 CB GLN A 31 -13.960 4.231 1.597 1.00 0.00 C ATOM 454 CG GLN A 31 -13.159 3.094 2.213 1.00 0.00 C ATOM 455 CD GLN A 31 -13.944 1.798 2.279 1.00 0.00 C ATOM 456 OE1 GLN A 31 -14.817 1.629 3.131 1.00 0.00 O ATOM 457 NE2 GLN A 31 -13.636 0.873 1.377 1.00 0.00 N ATOM 0 H GLN A 31 -15.676 6.032 3.193 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.816 5.624 2.773 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.013 3.950 1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.642 4.369 0.563 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.252 2.936 1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.847 3.377 3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.905 1.055 0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.130 -0.019 1.372 1.00 0.00 H new ATOM 466 N ALA A 32 -12.990 6.927 0.531 1.00 0.00 N ATOM 467 CA ALA A 32 -13.005 7.996 -0.464 1.00 0.00 C ATOM 468 C ALA A 32 -11.630 8.126 -1.105 1.00 0.00 C ATOM 469 O ALA A 32 -11.105 9.227 -1.268 1.00 0.00 O ATOM 470 CB ALA A 32 -13.424 9.316 0.169 1.00 0.00 C ATOM 0 H ALA A 32 -12.141 6.361 0.519 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.733 7.745 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.428 10.098 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.423 9.216 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.721 9.580 0.959 1.00 0.00 H new ATOM 476 N PHE A 33 -11.049 6.982 -1.448 1.00 0.00 N ATOM 477 CA PHE A 33 -9.724 6.940 -2.053 1.00 0.00 C ATOM 478 C PHE A 33 -8.684 7.485 -1.086 1.00 0.00 C ATOM 479 O PHE A 33 -8.867 8.548 -0.494 1.00 0.00 O ATOM 480 CB PHE A 33 -9.684 7.729 -3.360 1.00 0.00 C ATOM 481 CG PHE A 33 -10.193 6.952 -4.538 1.00 0.00 C ATOM 482 CD1 PHE A 33 -9.767 5.654 -4.753 1.00 0.00 C ATOM 483 CD2 PHE A 33 -11.093 7.515 -5.427 1.00 0.00 C ATOM 484 CE1 PHE A 33 -10.228 4.927 -5.830 1.00 0.00 C ATOM 485 CE2 PHE A 33 -11.559 6.794 -6.510 1.00 0.00 C ATOM 486 CZ PHE A 33 -11.125 5.498 -6.713 1.00 0.00 C ATOM 0 H PHE A 33 -11.478 6.066 -1.316 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.494 5.898 -2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.278 8.636 -3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.659 8.042 -3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.064 5.204 -4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.434 8.528 -5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.889 3.913 -5.983 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -12.261 7.243 -7.197 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.486 4.933 -7.560 1.00 0.00 H new ATOM 496 N SER A 34 -7.597 6.749 -0.929 1.00 0.00 N ATOM 497 CA SER A 34 -6.528 7.157 -0.029 1.00 0.00 C ATOM 498 C SER A 34 -5.223 7.351 -0.786 1.00 0.00 C ATOM 499 O SER A 34 -4.938 6.641 -1.751 1.00 0.00 O ATOM 500 CB SER A 34 -6.338 6.116 1.077 1.00 0.00 C ATOM 501 OG SER A 34 -5.158 6.371 1.819 1.00 0.00 O ATOM 0 H SER A 34 -7.430 5.866 -1.412 1.00 0.00 H new ATOM 0 HA SER A 34 -6.811 8.109 0.421 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.200 6.127 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.287 5.119 0.638 1.00 0.00 H new ATOM 0 HG SER A 34 -4.556 5.600 1.752 1.00 0.00 H new ATOM 507 N ARG A 35 -4.425 8.308 -0.331 1.00 0.00 N ATOM 508 CA ARG A 35 -3.138 8.586 -0.956 1.00 0.00 C ATOM 509 C ARG A 35 -2.044 7.816 -0.236 1.00 0.00 C ATOM 510 O ARG A 35 -1.510 8.272 0.775 1.00 0.00 O ATOM 511 CB ARG A 35 -2.836 10.086 -0.922 1.00 0.00 C ATOM 512 CG ARG A 35 -1.514 10.452 -1.578 1.00 0.00 C ATOM 513 CD ARG A 35 -1.723 11.119 -2.928 1.00 0.00 C ATOM 514 NE ARG A 35 -1.607 12.573 -2.845 1.00 0.00 N ATOM 515 CZ ARG A 35 -0.481 13.211 -2.534 1.00 0.00 C ATOM 516 NH1 ARG A 35 0.628 12.527 -2.279 1.00 0.00 N ATOM 517 NH2 ARG A 35 -0.463 14.535 -2.479 1.00 0.00 N ATOM 0 H ARG A 35 -4.645 8.904 0.467 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.177 8.268 -1.998 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.642 10.623 -1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.824 10.423 0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.956 11.122 -0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.910 9.554 -1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.990 10.737 -3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.708 10.855 -3.314 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.438 13.132 -3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.620 11.508 -2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.488 13.021 -2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.312 15.065 -2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.400 15.024 -2.241 1.00 0.00 H new ATOM 531 N VAL A 36 -1.725 6.633 -0.751 1.00 0.00 N ATOM 532 CA VAL A 36 -0.709 5.793 -0.136 1.00 0.00 C ATOM 533 C VAL A 36 0.660 6.007 -0.758 1.00 0.00 C ATOM 534 O VAL A 36 0.861 5.794 -1.954 1.00 0.00 O ATOM 535 CB VAL A 36 -1.074 4.301 -0.221 1.00 0.00 C ATOM 536 CG1 VAL A 36 -0.086 3.469 0.582 1.00 0.00 C ATOM 537 CG2 VAL A 36 -2.492 4.068 0.275 1.00 0.00 C ATOM 0 H VAL A 36 -2.154 6.238 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.668 6.090 0.912 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.021 3.992 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.357 2.415 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.918 3.612 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.111 3.782 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.731 3.007 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.572 4.392 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.190 4.638 -0.338 1.00 0.00 H new ATOM 547 N GLN A 37 1.600 6.415 0.080 1.00 0.00 N ATOM 548 CA GLN A 37 2.970 6.652 -0.343 1.00 0.00 C ATOM 549 C GLN A 37 3.891 5.635 0.316 1.00 0.00 C ATOM 550 O GLN A 37 3.479 4.918 1.227 1.00 0.00 O ATOM 551 CB GLN A 37 3.393 8.071 0.030 1.00 0.00 C ATOM 552 CG GLN A 37 2.355 9.125 -0.316 1.00 0.00 C ATOM 553 CD GLN A 37 2.941 10.521 -0.391 1.00 0.00 C ATOM 554 OE1 GLN A 37 2.621 11.386 0.425 1.00 0.00 O ATOM 555 NE2 GLN A 37 3.805 10.751 -1.374 1.00 0.00 N ATOM 0 H GLN A 37 1.434 6.591 1.071 1.00 0.00 H new ATOM 0 HA GLN A 37 3.038 6.542 -1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.597 8.111 1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.326 8.310 -0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.896 8.876 -1.273 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.562 9.108 0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.043 10.006 -2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.231 11.673 -1.474 1.00 0.00 H new ATOM 564 N ILE A 38 5.136 5.572 -0.135 1.00 0.00 N ATOM 565 CA ILE A 38 6.091 4.633 0.437 1.00 0.00 C ATOM 566 C ILE A 38 7.170 5.370 1.209 1.00 0.00 C ATOM 567 O ILE A 38 7.428 6.545 0.960 1.00 0.00 O ATOM 568 CB ILE A 38 6.740 3.753 -0.647 1.00 0.00 C ATOM 569 CG1 ILE A 38 5.654 3.034 -1.449 1.00 0.00 C ATOM 570 CG2 ILE A 38 7.701 2.748 -0.018 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.199 2.074 -2.480 1.00 0.00 C ATOM 0 H ILE A 38 5.506 6.153 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 38 5.539 3.986 1.118 1.00 0.00 H new ATOM 0 HB ILE A 38 7.313 4.389 -1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.008 2.488 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.032 3.776 -1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.150 2.135 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.485 3.282 0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.156 2.108 0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.372 1.601 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.821 2.618 -3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.797 1.309 -1.985 1.00 0.00 H new ATOM 583 N TYR A 39 7.793 4.678 2.154 1.00 0.00 N ATOM 584 CA TYR A 39 8.838 5.279 2.967 1.00 0.00 C ATOM 585 C TYR A 39 10.187 4.625 2.708 1.00 0.00 C ATOM 586 O TYR A 39 10.375 3.436 2.969 1.00 0.00 O ATOM 587 CB TYR A 39 8.474 5.173 4.445 1.00 0.00 C ATOM 588 CG TYR A 39 7.635 6.329 4.932 1.00 0.00 C ATOM 589 CD1 TYR A 39 6.453 6.671 4.287 1.00 0.00 C ATOM 590 CD2 TYR A 39 8.028 7.083 6.026 1.00 0.00 C ATOM 591 CE1 TYR A 39 5.686 7.733 4.720 1.00 0.00 C ATOM 592 CE2 TYR A 39 7.268 8.147 6.469 1.00 0.00 C ATOM 593 CZ TYR A 39 6.097 8.470 5.813 1.00 0.00 C ATOM 594 OH TYR A 39 5.337 9.530 6.250 1.00 0.00 O ATOM 0 H TYR A 39 7.592 3.703 2.375 1.00 0.00 H new ATOM 0 HA TYR A 39 8.919 6.330 2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.933 4.242 4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.389 5.121 5.036 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.129 6.096 3.432 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.944 6.834 6.541 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.770 7.986 4.207 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.588 8.724 7.324 1.00 0.00 H new ATOM 0 HH TYR A 39 5.766 9.941 7.029 1.00 0.00 H new ATOM 604 N HIS A 40 11.124 5.414 2.197 1.00 0.00 N ATOM 605 CA HIS A 40 12.461 4.921 1.903 1.00 0.00 C ATOM 606 C HIS A 40 13.403 5.183 3.073 1.00 0.00 C ATOM 607 O HIS A 40 14.063 6.219 3.132 1.00 0.00 O ATOM 608 CB HIS A 40 13.004 5.585 0.634 1.00 0.00 C ATOM 609 CG HIS A 40 14.287 4.989 0.144 1.00 0.00 C ATOM 610 ND1 HIS A 40 14.612 4.898 -1.193 1.00 0.00 N ATOM 611 CD2 HIS A 40 15.333 4.452 0.819 1.00 0.00 C ATOM 612 CE1 HIS A 40 15.798 4.331 -1.320 1.00 0.00 C ATOM 613 NE2 HIS A 40 16.256 4.051 -0.115 1.00 0.00 N ATOM 0 H HIS A 40 10.981 6.400 1.978 1.00 0.00 H new ATOM 0 HA HIS A 40 12.400 3.845 1.742 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.255 5.510 -0.154 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.157 6.647 0.827 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.423 4.357 1.891 1.00 0.00 H new ATOM 0 HE1 HIS A 40 16.306 4.131 -2.252 1.00 0.00 H new ATOM 0 HE2 HIS A 40 17.152 3.608 0.090 1.00 0.00 H new ATOM 622 N ASN A 41 13.451 4.235 4.007 1.00 0.00 N ATOM 623 CA ASN A 41 14.308 4.354 5.181 1.00 0.00 C ATOM 624 C ASN A 41 15.570 3.509 5.025 1.00 0.00 C ATOM 625 O ASN A 41 15.577 2.327 5.371 1.00 0.00 O ATOM 626 CB ASN A 41 13.555 3.909 6.436 1.00 0.00 C ATOM 627 CG ASN A 41 12.186 4.547 6.548 1.00 0.00 C ATOM 628 OD1 ASN A 41 11.804 5.377 5.723 1.00 0.00 O ATOM 629 ND2 ASN A 41 11.435 4.161 7.575 1.00 0.00 N ATOM 0 H ASN A 41 12.904 3.375 3.972 1.00 0.00 H new ATOM 0 HA ASN A 41 14.594 5.401 5.279 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.447 2.824 6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.144 4.162 7.318 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.503 4.556 7.702 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.791 3.470 8.236 1.00 0.00 H new ATOM 636 N PRO A 42 16.658 4.098 4.503 1.00 0.00 N ATOM 637 CA PRO A 42 17.919 3.385 4.311 1.00 0.00 C ATOM 638 C PRO A 42 18.727 3.268 5.600 1.00 0.00 C ATOM 639 O PRO A 42 19.599 2.408 5.718 1.00 0.00 O ATOM 640 CB PRO A 42 18.652 4.257 3.303 1.00 0.00 C ATOM 641 CG PRO A 42 18.184 5.638 3.607 1.00 0.00 C ATOM 642 CD PRO A 42 16.752 5.504 4.059 1.00 0.00 C ATOM 0 HA PRO A 42 17.764 2.357 3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.733 4.170 3.412 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.411 3.971 2.279 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.797 6.095 4.384 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.257 6.277 2.727 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.521 6.196 4.868 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.054 5.716 3.249 1.00 0.00 H new ATOM 650 N THR A 43 18.430 4.134 6.567 1.00 0.00 N ATOM 651 CA THR A 43 19.132 4.116 7.849 1.00 0.00 C ATOM 652 C THR A 43 19.185 2.700 8.413 1.00 0.00 C ATOM 653 O THR A 43 20.150 2.317 9.074 1.00 0.00 O ATOM 654 CB THR A 43 18.443 5.050 8.846 1.00 0.00 C ATOM 655 OG1 THR A 43 17.045 4.824 8.861 1.00 0.00 O ATOM 656 CG2 THR A 43 18.667 6.516 8.547 1.00 0.00 C ATOM 0 H THR A 43 17.712 4.854 6.488 1.00 0.00 H new ATOM 0 HA THR A 43 20.152 4.464 7.685 1.00 0.00 H new ATOM 0 HB THR A 43 18.891 4.821 9.813 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.623 5.429 9.506 1.00 0.00 H new ATOM 0 HG21 THR A 43 18.151 7.122 9.292 1.00 0.00 H new ATOM 0 HG22 THR A 43 19.734 6.735 8.577 1.00 0.00 H new ATOM 0 HG23 THR A 43 18.277 6.749 7.556 1.00 0.00 H new ATOM 664 N ALA A 44 18.141 1.928 8.133 1.00 0.00 N ATOM 665 CA ALA A 44 18.059 0.548 8.596 1.00 0.00 C ATOM 666 C ALA A 44 17.838 -0.414 7.430 1.00 0.00 C ATOM 667 O ALA A 44 17.687 -1.619 7.629 1.00 0.00 O ATOM 668 CB ALA A 44 16.945 0.402 9.622 1.00 0.00 C ATOM 0 H ALA A 44 17.337 2.236 7.586 1.00 0.00 H new ATOM 0 HA ALA A 44 19.008 0.292 9.066 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.895 -0.633 9.959 1.00 0.00 H new ATOM 0 HB2 ALA A 44 17.147 1.052 10.473 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.994 0.683 9.169 1.00 0.00 H new ATOM 674 N ASN A 45 17.810 0.127 6.214 1.00 0.00 N ATOM 675 CA ASN A 45 17.598 -0.682 5.022 1.00 0.00 C ATOM 676 C ASN A 45 16.223 -1.331 5.073 1.00 0.00 C ATOM 677 O ASN A 45 16.077 -2.533 4.856 1.00 0.00 O ATOM 678 CB ASN A 45 18.691 -1.747 4.892 1.00 0.00 C ATOM 679 CG ASN A 45 19.436 -1.655 3.572 1.00 0.00 C ATOM 680 OD1 ASN A 45 20.653 -1.828 3.521 1.00 0.00 O ATOM 681 ND2 ASN A 45 18.708 -1.380 2.492 1.00 0.00 N ATOM 0 H ASN A 45 17.932 1.123 6.031 1.00 0.00 H new ATOM 0 HA ASN A 45 17.649 -0.035 4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 45 19.399 -1.639 5.714 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.243 -2.736 4.985 1.00 0.00 H new ATOM 0 HD21 ASN A 45 19.157 -1.306 1.579 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.701 -1.243 2.577 1.00 0.00 H new ATOM 688 N SER A 46 15.219 -0.519 5.372 1.00 0.00 N ATOM 689 CA SER A 46 13.845 -1.002 5.463 1.00 0.00 C ATOM 690 C SER A 46 12.877 -0.016 4.818 1.00 0.00 C ATOM 691 O SER A 46 13.134 1.187 4.785 1.00 0.00 O ATOM 692 CB SER A 46 13.460 -1.231 6.926 1.00 0.00 C ATOM 693 OG SER A 46 14.248 -0.431 7.791 1.00 0.00 O ATOM 0 H SER A 46 15.328 0.478 5.556 1.00 0.00 H new ATOM 0 HA SER A 46 13.782 -1.948 4.925 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.405 -0.997 7.069 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.590 -2.283 7.179 1.00 0.00 H new ATOM 0 HG SER A 46 13.982 -0.594 8.720 1.00 0.00 H new ATOM 699 N PHE A 47 11.763 -0.532 4.307 1.00 0.00 N ATOM 700 CA PHE A 47 10.759 0.307 3.666 1.00 0.00 C ATOM 701 C PHE A 47 9.430 0.222 4.405 1.00 0.00 C ATOM 702 O PHE A 47 9.282 -0.565 5.341 1.00 0.00 O ATOM 703 CB PHE A 47 10.581 -0.108 2.208 1.00 0.00 C ATOM 704 CG PHE A 47 11.701 0.347 1.322 1.00 0.00 C ATOM 705 CD1 PHE A 47 11.730 1.643 0.842 1.00 0.00 C ATOM 706 CD2 PHE A 47 12.726 -0.516 0.975 1.00 0.00 C ATOM 707 CE1 PHE A 47 12.760 2.074 0.028 1.00 0.00 C ATOM 708 CE2 PHE A 47 13.761 -0.092 0.161 1.00 0.00 C ATOM 709 CZ PHE A 47 13.777 1.205 -0.313 1.00 0.00 C ATOM 0 H PHE A 47 11.534 -1.526 4.325 1.00 0.00 H new ATOM 0 HA PHE A 47 11.102 1.341 3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.502 -1.194 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.642 0.299 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.938 2.327 1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.718 -1.531 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.769 3.089 -0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.555 -0.774 -0.103 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.583 1.539 -0.949 1.00 0.00 H new ATOM 719 N ARG A 48 8.466 1.035 3.988 1.00 0.00 N ATOM 720 CA ARG A 48 7.155 1.041 4.626 1.00 0.00 C ATOM 721 C ARG A 48 6.115 1.745 3.762 1.00 0.00 C ATOM 722 O ARG A 48 6.433 2.657 3.002 1.00 0.00 O ATOM 723 CB ARG A 48 7.240 1.723 5.994 1.00 0.00 C ATOM 724 CG ARG A 48 5.913 1.787 6.731 1.00 0.00 C ATOM 725 CD ARG A 48 6.110 1.734 8.238 1.00 0.00 C ATOM 726 NE ARG A 48 5.060 2.456 8.952 1.00 0.00 N ATOM 727 CZ ARG A 48 5.190 2.923 10.193 1.00 0.00 C ATOM 728 NH1 ARG A 48 6.322 2.742 10.863 1.00 0.00 N ATOM 729 NH2 ARG A 48 4.186 3.571 10.765 1.00 0.00 N ATOM 0 H ARG A 48 8.566 1.694 3.216 1.00 0.00 H new ATOM 0 HA ARG A 48 6.842 0.005 4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.962 1.189 6.611 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.621 2.736 5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.391 2.706 6.463 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.280 0.957 6.416 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.123 0.695 8.566 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.080 2.160 8.492 1.00 0.00 H new ATOM 0 HE ARG A 48 4.174 2.612 8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.098 2.243 10.428 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.416 3.102 11.813 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.314 3.712 10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.285 3.929 11.715 1.00 0.00 H new ATOM 743 N VAL A 49 4.865 1.313 3.899 1.00 0.00 N ATOM 744 CA VAL A 49 3.763 1.897 3.150 1.00 0.00 C ATOM 745 C VAL A 49 2.891 2.742 4.075 1.00 0.00 C ATOM 746 O VAL A 49 2.567 2.324 5.186 1.00 0.00 O ATOM 747 CB VAL A 49 2.903 0.803 2.483 1.00 0.00 C ATOM 748 CG1 VAL A 49 2.467 -0.231 3.507 1.00 0.00 C ATOM 749 CG2 VAL A 49 1.698 1.412 1.779 1.00 0.00 C ATOM 0 H VAL A 49 4.592 0.556 4.526 1.00 0.00 H new ATOM 0 HA VAL A 49 4.184 2.529 2.368 1.00 0.00 H new ATOM 0 HB VAL A 49 3.512 0.302 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.862 -0.994 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.347 -0.696 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.879 0.254 4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.108 0.620 1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.084 1.946 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.038 2.106 1.011 1.00 0.00 H new ATOM 759 N VAL A 50 2.526 3.934 3.619 1.00 0.00 N ATOM 760 CA VAL A 50 1.704 4.831 4.423 1.00 0.00 C ATOM 761 C VAL A 50 0.695 5.572 3.556 1.00 0.00 C ATOM 762 O VAL A 50 1.065 6.259 2.605 1.00 0.00 O ATOM 763 CB VAL A 50 2.565 5.861 5.184 1.00 0.00 C ATOM 764 CG1 VAL A 50 1.880 6.274 6.477 1.00 0.00 C ATOM 765 CG2 VAL A 50 3.955 5.307 5.469 1.00 0.00 C ATOM 0 H VAL A 50 2.784 4.301 2.703 1.00 0.00 H new ATOM 0 HA VAL A 50 1.175 4.210 5.146 1.00 0.00 H new ATOM 0 HB VAL A 50 2.676 6.742 4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.500 7.001 7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.912 6.720 6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.736 5.397 7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.541 6.053 6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.870 4.406 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.450 5.065 4.529 1.00 0.00 H new ATOM 775 N GLY A 51 -0.581 5.430 3.891 1.00 0.00 N ATOM 776 CA GLY A 51 -1.622 6.093 3.130 1.00 0.00 C ATOM 777 C GLY A 51 -2.731 6.635 4.005 1.00 0.00 C ATOM 778 O GLY A 51 -3.084 6.032 5.017 1.00 0.00 O ATOM 0 H GLY A 51 -0.913 4.868 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.183 6.911 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.043 5.391 2.410 1.00 0.00 H new ATOM 782 N ARG A 52 -3.281 7.776 3.609 1.00 0.00 N ATOM 783 CA ARG A 52 -4.362 8.406 4.357 1.00 0.00 C ATOM 784 C ARG A 52 -5.528 8.743 3.435 1.00 0.00 C ATOM 785 O ARG A 52 -5.331 9.135 2.286 1.00 0.00 O ATOM 786 CB ARG A 52 -3.861 9.672 5.055 1.00 0.00 C ATOM 787 CG ARG A 52 -3.391 10.752 4.095 1.00 0.00 C ATOM 788 CD ARG A 52 -3.781 12.139 4.579 1.00 0.00 C ATOM 789 NE ARG A 52 -3.290 13.190 3.688 1.00 0.00 N ATOM 790 CZ ARG A 52 -2.037 13.638 3.690 1.00 0.00 C ATOM 791 NH1 ARG A 52 -1.145 13.131 4.531 1.00 0.00 N ATOM 792 NH2 ARG A 52 -1.674 14.596 2.847 1.00 0.00 N ATOM 0 H ARG A 52 -2.996 8.285 2.772 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.709 7.702 5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.661 10.074 5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.040 9.408 5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.308 10.696 3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.821 10.576 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.866 12.205 4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.383 12.298 5.581 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.947 13.604 3.026 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.418 12.394 5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.186 13.478 4.528 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.355 14.989 2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.714 14.940 2.848 1.00 0.00 H new ATOM 806 N LYS A 53 -6.744 8.584 3.946 1.00 0.00 N ATOM 807 CA LYS A 53 -7.943 8.868 3.166 1.00 0.00 C ATOM 808 C LYS A 53 -8.054 10.357 2.853 1.00 0.00 C ATOM 809 O LYS A 53 -7.358 11.180 3.448 1.00 0.00 O ATOM 810 CB LYS A 53 -9.187 8.396 3.919 1.00 0.00 C ATOM 811 CG LYS A 53 -10.199 7.683 3.036 1.00 0.00 C ATOM 812 CD LYS A 53 -10.142 6.175 3.227 1.00 0.00 C ATOM 813 CE LYS A 53 -10.208 5.439 1.898 1.00 0.00 C ATOM 814 NZ LYS A 53 -9.292 4.266 1.866 1.00 0.00 N ATOM 0 H LYS A 53 -6.925 8.260 4.896 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.869 8.326 2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.882 7.726 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.667 9.256 4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.202 8.042 3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.006 7.926 1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.221 5.908 3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.969 5.857 3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.230 5.106 1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.949 6.124 1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.661 3.555 1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.347 4.572 1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.227 3.851 2.817 1.00 0.00 H new ATOM 828 N MET A 54 -8.933 10.696 1.915 1.00 0.00 N ATOM 829 CA MET A 54 -9.136 12.086 1.521 1.00 0.00 C ATOM 830 C MET A 54 -10.468 12.613 2.043 1.00 0.00 C ATOM 831 O MET A 54 -11.226 13.252 1.312 1.00 0.00 O ATOM 832 CB MET A 54 -9.078 12.221 -0.001 1.00 0.00 C ATOM 833 CG MET A 54 -7.902 11.495 -0.632 1.00 0.00 C ATOM 834 SD MET A 54 -8.068 11.329 -2.420 1.00 0.00 S ATOM 835 CE MET A 54 -6.369 11.012 -2.889 1.00 0.00 C ATOM 0 H MET A 54 -9.517 10.027 1.413 1.00 0.00 H new ATOM 0 HA MET A 54 -8.336 12.682 1.961 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.004 11.834 -0.427 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.024 13.278 -0.262 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.982 12.034 -0.405 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.809 10.505 -0.186 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.180 11.431 -3.878 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.699 11.476 -2.165 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.192 9.937 -2.910 1.00 0.00 H new ATOM 845 N GLN A 55 -10.745 12.346 3.313 1.00 0.00 N ATOM 846 CA GLN A 55 -11.984 12.797 3.939 1.00 0.00 C ATOM 847 C GLN A 55 -11.718 13.963 4.883 1.00 0.00 C ATOM 848 O GLN A 55 -10.577 14.197 5.282 1.00 0.00 O ATOM 849 CB GLN A 55 -12.649 11.652 4.711 1.00 0.00 C ATOM 850 CG GLN A 55 -11.666 10.716 5.397 1.00 0.00 C ATOM 851 CD GLN A 55 -12.206 10.156 6.697 1.00 0.00 C ATOM 852 OE1 GLN A 55 -12.975 10.813 7.398 1.00 0.00 O ATOM 853 NE2 GLN A 55 -11.805 8.933 7.027 1.00 0.00 N ATOM 0 H GLN A 55 -10.128 11.819 3.931 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.656 13.128 3.147 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.318 12.074 5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.266 11.074 4.023 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.423 9.893 4.724 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.737 11.251 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.166 8.424 6.416 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.136 8.504 7.891 1.00 0.00 H new ATOM 862 N PRO A 56 -12.768 14.711 5.263 1.00 0.00 N ATOM 863 CA PRO A 56 -12.633 15.854 6.173 1.00 0.00 C ATOM 864 C PRO A 56 -12.300 15.420 7.599 1.00 0.00 C ATOM 865 O PRO A 56 -12.974 15.810 8.553 1.00 0.00 O ATOM 866 CB PRO A 56 -14.012 16.514 6.121 1.00 0.00 C ATOM 867 CG PRO A 56 -14.945 15.417 5.744 1.00 0.00 C ATOM 868 CD PRO A 56 -14.166 14.504 4.839 1.00 0.00 C ATOM 0 HA PRO A 56 -11.819 16.517 5.880 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.280 16.947 7.085 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.036 17.322 5.390 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.297 14.884 6.627 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.826 15.811 5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -14.472 13.465 4.958 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.310 14.761 3.789 1.00 0.00 H new ATOM 876 N ASP A 57 -11.255 14.610 7.736 1.00 0.00 N ATOM 877 CA ASP A 57 -10.824 14.118 9.040 1.00 0.00 C ATOM 878 C ASP A 57 -9.383 13.618 8.985 1.00 0.00 C ATOM 879 O ASP A 57 -8.629 13.765 9.947 1.00 0.00 O ATOM 880 CB ASP A 57 -11.749 12.996 9.515 1.00 0.00 C ATOM 881 CG ASP A 57 -12.970 13.524 10.245 1.00 0.00 C ATOM 882 OD1 ASP A 57 -12.852 14.567 10.921 1.00 0.00 O ATOM 883 OD2 ASP A 57 -14.043 12.893 10.139 1.00 0.00 O ATOM 0 H ASP A 57 -10.688 14.279 6.955 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.874 14.945 9.748 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.069 12.405 8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.196 12.327 10.174 1.00 0.00 H new ATOM 888 N GLN A 58 -9.007 13.027 7.852 1.00 0.00 N ATOM 889 CA GLN A 58 -7.657 12.503 7.665 1.00 0.00 C ATOM 890 C GLN A 58 -7.393 11.324 8.595 1.00 0.00 C ATOM 891 O GLN A 58 -7.353 11.477 9.815 1.00 0.00 O ATOM 892 CB GLN A 58 -6.614 13.600 7.896 1.00 0.00 C ATOM 893 CG GLN A 58 -6.740 14.769 6.933 1.00 0.00 C ATOM 894 CD GLN A 58 -5.649 14.778 5.879 1.00 0.00 C ATOM 895 OE1 GLN A 58 -4.462 14.734 6.199 1.00 0.00 O ATOM 896 NE2 GLN A 58 -6.049 14.834 4.615 1.00 0.00 N ATOM 0 H GLN A 58 -9.621 12.899 7.048 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.576 12.153 6.636 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.707 13.969 8.917 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.617 13.168 7.803 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.713 14.728 6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.705 15.703 7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.045 14.869 4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.361 14.842 3.862 1.00 0.00 H new ATOM 905 N GLN A 59 -7.212 10.149 8.003 1.00 0.00 N ATOM 906 CA GLN A 59 -6.950 8.935 8.766 1.00 0.00 C ATOM 907 C GLN A 59 -6.123 7.954 7.940 1.00 0.00 C ATOM 908 O GLN A 59 -6.511 7.583 6.832 1.00 0.00 O ATOM 909 CB GLN A 59 -8.271 8.286 9.195 1.00 0.00 C ATOM 910 CG GLN A 59 -8.121 6.867 9.726 1.00 0.00 C ATOM 911 CD GLN A 59 -8.772 6.677 11.082 1.00 0.00 C ATOM 912 OE1 GLN A 59 -8.487 7.411 12.029 1.00 0.00 O ATOM 913 NE2 GLN A 59 -9.651 5.688 11.183 1.00 0.00 N ATOM 0 H GLN A 59 -7.242 10.012 6.993 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.382 9.200 9.658 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.734 8.904 9.964 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.951 8.274 8.343 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.562 6.169 9.015 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.062 6.621 9.799 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.857 5.104 10.372 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.121 5.512 12.071 1.00 0.00 H new ATOM 922 N VAL A 60 -4.984 7.538 8.482 1.00 0.00 N ATOM 923 CA VAL A 60 -4.113 6.602 7.785 1.00 0.00 C ATOM 924 C VAL A 60 -4.791 5.245 7.624 1.00 0.00 C ATOM 925 O VAL A 60 -5.244 4.644 8.599 1.00 0.00 O ATOM 926 CB VAL A 60 -2.766 6.424 8.514 1.00 0.00 C ATOM 927 CG1 VAL A 60 -2.092 7.773 8.712 1.00 0.00 C ATOM 928 CG2 VAL A 60 -2.953 5.712 9.848 1.00 0.00 C ATOM 0 H VAL A 60 -4.644 7.833 9.397 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.916 7.024 6.799 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.122 5.801 7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.142 7.633 9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.913 8.236 7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.737 8.418 9.309 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.987 5.600 10.340 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.618 6.298 10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.389 4.728 9.677 1.00 0.00 H new ATOM 938 N VAL A 61 -4.865 4.774 6.386 1.00 0.00 N ATOM 939 CA VAL A 61 -5.495 3.495 6.090 1.00 0.00 C ATOM 940 C VAL A 61 -4.470 2.362 6.059 1.00 0.00 C ATOM 941 O VAL A 61 -4.818 1.195 6.231 1.00 0.00 O ATOM 942 CB VAL A 61 -6.247 3.549 4.743 1.00 0.00 C ATOM 943 CG1 VAL A 61 -7.196 4.740 4.710 1.00 0.00 C ATOM 944 CG2 VAL A 61 -5.269 3.613 3.580 1.00 0.00 C ATOM 0 H VAL A 61 -4.495 5.260 5.569 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.209 3.296 6.889 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.834 2.636 4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.718 4.763 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.922 4.649 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.628 5.662 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.822 3.650 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.651 4.506 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.632 2.728 3.591 1.00 0.00 H new ATOM 954 N ILE A 62 -3.205 2.715 5.847 1.00 0.00 N ATOM 955 CA ILE A 62 -2.134 1.731 5.802 1.00 0.00 C ATOM 956 C ILE A 62 -0.879 2.273 6.474 1.00 0.00 C ATOM 957 O ILE A 62 -0.549 3.450 6.329 1.00 0.00 O ATOM 958 CB ILE A 62 -1.799 1.319 4.353 1.00 0.00 C ATOM 959 CG1 ILE A 62 -0.791 0.168 4.344 1.00 0.00 C ATOM 960 CG2 ILE A 62 -1.255 2.506 3.571 1.00 0.00 C ATOM 961 CD1 ILE A 62 -0.827 -0.655 3.075 1.00 0.00 C ATOM 0 H ILE A 62 -2.899 3.677 5.704 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.485 0.850 6.340 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.717 0.981 3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.212 0.573 4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.987 -0.483 5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.025 2.196 2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.002 3.300 3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.349 2.874 4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.087 -1.453 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.819 -1.089 2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.601 -0.017 2.221 1.00 0.00 H new ATOM 973 N ASN A 63 -0.189 1.417 7.213 1.00 0.00 N ATOM 974 CA ASN A 63 1.022 1.824 7.910 1.00 0.00 C ATOM 975 C ASN A 63 1.825 0.607 8.361 1.00 0.00 C ATOM 976 O ASN A 63 1.963 0.348 9.557 1.00 0.00 O ATOM 977 CB ASN A 63 0.658 2.701 9.111 1.00 0.00 C ATOM 978 CG ASN A 63 -0.258 1.992 10.088 1.00 0.00 C ATOM 979 OD1 ASN A 63 -0.421 0.773 10.035 1.00 0.00 O ATOM 980 ND2 ASN A 63 -0.867 2.756 10.989 1.00 0.00 N ATOM 0 H ASN A 63 -0.446 0.439 7.345 1.00 0.00 H new ATOM 0 HA ASN A 63 1.643 2.400 7.224 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.570 3.003 9.626 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.174 3.612 8.759 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.498 2.336 11.672 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.704 3.763 10.998 1.00 0.00 H new ATOM 987 N CYS A 64 2.352 -0.137 7.393 1.00 0.00 N ATOM 988 CA CYS A 64 3.141 -1.330 7.687 1.00 0.00 C ATOM 989 C CYS A 64 4.478 -1.295 6.952 1.00 0.00 C ATOM 990 O CYS A 64 4.531 -1.027 5.752 1.00 0.00 O ATOM 991 CB CYS A 64 2.364 -2.587 7.297 1.00 0.00 C ATOM 992 SG CYS A 64 2.933 -4.092 8.124 1.00 0.00 S ATOM 0 H CYS A 64 2.247 0.065 6.399 1.00 0.00 H new ATOM 0 HA CYS A 64 3.338 -1.350 8.759 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.309 -2.435 7.527 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.438 -2.727 6.219 1.00 0.00 H new ATOM 0 HG CYS A 64 2.214 -5.101 7.732 1.00 0.00 H new ATOM 998 N ALA A 65 5.557 -1.568 7.681 1.00 0.00 N ATOM 999 CA ALA A 65 6.895 -1.566 7.099 1.00 0.00 C ATOM 1000 C ALA A 65 7.137 -2.814 6.256 1.00 0.00 C ATOM 1001 O ALA A 65 6.792 -3.924 6.663 1.00 0.00 O ATOM 1002 CB ALA A 65 7.946 -1.458 8.193 1.00 0.00 C ATOM 0 H ALA A 65 5.530 -1.793 8.675 1.00 0.00 H new ATOM 0 HA ALA A 65 6.973 -0.699 6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.939 -1.458 7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.799 -0.532 8.749 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.854 -2.307 8.871 1.00 0.00 H new ATOM 1008 N ILE A 66 7.740 -2.628 5.085 1.00 0.00 N ATOM 1009 CA ILE A 66 8.035 -3.745 4.197 1.00 0.00 C ATOM 1010 C ILE A 66 9.531 -4.011 4.131 1.00 0.00 C ATOM 1011 O ILE A 66 10.340 -3.184 4.549 1.00 0.00 O ATOM 1012 CB ILE A 66 7.516 -3.503 2.768 1.00 0.00 C ATOM 1013 CG1 ILE A 66 7.852 -2.091 2.297 1.00 0.00 C ATOM 1014 CG2 ILE A 66 6.017 -3.751 2.693 1.00 0.00 C ATOM 1015 CD1 ILE A 66 8.244 -2.040 0.838 1.00 0.00 C ATOM 0 H ILE A 66 8.032 -1.717 4.731 1.00 0.00 H new ATOM 0 HA ILE A 66 7.522 -4.611 4.616 1.00 0.00 H new ATOM 0 HB ILE A 66 8.015 -4.208 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.991 -1.443 2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.668 -1.695 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.670 -3.575 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.804 -4.782 2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.502 -3.074 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.472 -1.011 0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.123 -2.664 0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.420 -2.408 0.227 1.00 0.00 H new ATOM 1027 N VAL A 67 9.889 -5.171 3.595 1.00 0.00 N ATOM 1028 CA VAL A 67 11.285 -5.556 3.466 1.00 0.00 C ATOM 1029 C VAL A 67 11.449 -6.623 2.388 1.00 0.00 C ATOM 1030 O VAL A 67 10.483 -6.994 1.722 1.00 0.00 O ATOM 1031 CB VAL A 67 11.847 -6.087 4.799 1.00 0.00 C ATOM 1032 CG1 VAL A 67 11.974 -4.960 5.814 1.00 0.00 C ATOM 1033 CG2 VAL A 67 10.966 -7.203 5.341 1.00 0.00 C ATOM 0 H VAL A 67 9.228 -5.863 3.242 1.00 0.00 H new ATOM 0 HA VAL A 67 11.844 -4.664 3.183 1.00 0.00 H new ATOM 0 HB VAL A 67 12.842 -6.494 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.372 -5.355 6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.648 -4.196 5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.993 -4.521 5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.377 -7.567 6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.958 -6.822 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.930 -8.021 4.621 1.00 0.00 H new ATOM 1043 N ARG A 68 12.671 -7.119 2.225 1.00 0.00 N ATOM 1044 CA ARG A 68 12.947 -8.148 1.231 1.00 0.00 C ATOM 1045 C ARG A 68 12.090 -9.382 1.500 1.00 0.00 C ATOM 1046 O ARG A 68 12.508 -10.289 2.219 1.00 0.00 O ATOM 1047 CB ARG A 68 14.435 -8.522 1.256 1.00 0.00 C ATOM 1048 CG ARG A 68 14.758 -9.852 0.582 1.00 0.00 C ATOM 1049 CD ARG A 68 15.331 -10.856 1.571 1.00 0.00 C ATOM 1050 NE ARG A 68 15.709 -12.110 0.923 1.00 0.00 N ATOM 1051 CZ ARG A 68 16.375 -13.087 1.533 1.00 0.00 C ATOM 1052 NH1 ARG A 68 16.738 -12.959 2.803 1.00 0.00 N ATOM 1053 NH2 ARG A 68 16.679 -14.195 0.871 1.00 0.00 N ATOM 0 H ARG A 68 13.484 -6.826 2.767 1.00 0.00 H new ATOM 0 HA ARG A 68 12.700 -7.757 0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.005 -7.732 0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.771 -8.562 2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.854 -10.261 0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.472 -9.688 -0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.204 -10.424 2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.595 -11.058 2.350 1.00 0.00 H new ATOM 0 HE ARG A 68 15.447 -12.244 -0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.507 -12.109 3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.248 -13.711 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.402 -14.298 -0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.190 -14.944 1.338 1.00 0.00 H new ATOM 1067 N GLY A 69 10.891 -9.415 0.927 1.00 0.00 N ATOM 1068 CA GLY A 69 10.016 -10.553 1.136 1.00 0.00 C ATOM 1069 C GLY A 69 8.634 -10.365 0.543 1.00 0.00 C ATOM 1070 O GLY A 69 7.994 -11.336 0.141 1.00 0.00 O ATOM 0 H GLY A 69 10.513 -8.682 0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.474 -11.440 0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.922 -10.738 2.206 1.00 0.00 H new ATOM 1074 N VAL A 70 8.161 -9.123 0.489 1.00 0.00 N ATOM 1075 CA VAL A 70 6.842 -8.848 -0.059 1.00 0.00 C ATOM 1076 C VAL A 70 6.912 -8.671 -1.575 1.00 0.00 C ATOM 1077 O VAL A 70 7.759 -7.941 -2.088 1.00 0.00 O ATOM 1078 CB VAL A 70 6.209 -7.600 0.604 1.00 0.00 C ATOM 1079 CG1 VAL A 70 5.202 -6.926 -0.312 1.00 0.00 C ATOM 1080 CG2 VAL A 70 5.544 -7.980 1.916 1.00 0.00 C ATOM 0 H VAL A 70 8.668 -8.300 0.815 1.00 0.00 H new ATOM 0 HA VAL A 70 6.206 -9.705 0.160 1.00 0.00 H new ATOM 0 HB VAL A 70 7.012 -6.889 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.780 -6.055 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.699 -6.611 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.403 -7.627 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.103 -7.093 2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.763 -8.717 1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.287 -8.403 2.592 1.00 0.00 H new ATOM 1090 N LYS A 71 6.015 -9.349 -2.284 1.00 0.00 N ATOM 1091 CA LYS A 71 5.971 -9.274 -3.739 1.00 0.00 C ATOM 1092 C LYS A 71 4.628 -8.730 -4.212 1.00 0.00 C ATOM 1093 O LYS A 71 3.587 -9.358 -4.019 1.00 0.00 O ATOM 1094 CB LYS A 71 6.220 -10.654 -4.351 1.00 0.00 C ATOM 1095 CG LYS A 71 6.499 -10.614 -5.846 1.00 0.00 C ATOM 1096 CD LYS A 71 7.839 -9.963 -6.146 1.00 0.00 C ATOM 1097 CE LYS A 71 8.929 -11.003 -6.357 1.00 0.00 C ATOM 1098 NZ LYS A 71 10.271 -10.487 -5.970 1.00 0.00 N ATOM 0 H LYS A 71 5.307 -9.958 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 71 6.756 -8.593 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.065 -11.120 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.351 -11.286 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.488 -11.628 -6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.705 -10.064 -6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.751 -9.341 -7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.117 -9.305 -5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.700 -11.893 -5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.944 -11.305 -7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.986 -11.225 -6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.501 -9.652 -6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.264 -10.222 -4.964 1.00 0.00 H new ATOM 1112 N TYR A 72 4.661 -7.555 -4.831 1.00 0.00 N ATOM 1113 CA TYR A 72 3.451 -6.917 -5.334 1.00 0.00 C ATOM 1114 C TYR A 72 2.765 -7.791 -6.380 1.00 0.00 C ATOM 1115 O TYR A 72 3.232 -7.906 -7.512 1.00 0.00 O ATOM 1116 CB TYR A 72 3.793 -5.549 -5.931 1.00 0.00 C ATOM 1117 CG TYR A 72 3.456 -4.387 -5.025 1.00 0.00 C ATOM 1118 CD1 TYR A 72 3.508 -4.524 -3.644 1.00 0.00 C ATOM 1119 CD2 TYR A 72 3.093 -3.150 -5.550 1.00 0.00 C ATOM 1120 CE1 TYR A 72 3.208 -3.466 -2.810 1.00 0.00 C ATOM 1121 CE2 TYR A 72 2.792 -2.084 -4.721 1.00 0.00 C ATOM 1122 CZ TYR A 72 2.852 -2.249 -3.351 1.00 0.00 C ATOM 1123 OH TYR A 72 2.561 -1.193 -2.519 1.00 0.00 O ATOM 0 H TYR A 72 5.516 -7.024 -4.997 1.00 0.00 H new ATOM 0 HA TYR A 72 2.762 -6.783 -4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.858 -5.520 -6.163 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.258 -5.430 -6.873 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.788 -5.475 -3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.046 -3.020 -6.621 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.252 -3.591 -1.738 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.512 -1.130 -5.142 1.00 0.00 H new ATOM 0 HH TYR A 72 2.090 -0.498 -3.025 1.00 0.00 H new ATOM 1133 N ASN A 73 1.651 -8.405 -5.991 1.00 0.00 N ATOM 1134 CA ASN A 73 0.897 -9.268 -6.893 1.00 0.00 C ATOM 1135 C ASN A 73 -0.228 -8.490 -7.570 1.00 0.00 C ATOM 1136 O ASN A 73 -1.361 -8.474 -7.091 1.00 0.00 O ATOM 1137 CB ASN A 73 0.324 -10.463 -6.129 1.00 0.00 C ATOM 1138 CG ASN A 73 0.603 -11.782 -6.824 1.00 0.00 C ATOM 1139 OD1 ASN A 73 1.072 -12.736 -6.205 1.00 0.00 O ATOM 1140 ND2 ASN A 73 0.315 -11.840 -8.119 1.00 0.00 N ATOM 0 H ASN A 73 1.251 -8.320 -5.057 1.00 0.00 H new ATOM 0 HA ASN A 73 1.576 -9.634 -7.663 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.749 -10.487 -5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.753 -10.336 -6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.482 -12.701 -8.640 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.073 -11.024 -8.592 1.00 0.00 H new ATOM 1147 N GLN A 74 0.097 -7.843 -8.684 1.00 0.00 N ATOM 1148 CA GLN A 74 -0.880 -7.058 -9.430 1.00 0.00 C ATOM 1149 C GLN A 74 -2.088 -7.907 -9.820 1.00 0.00 C ATOM 1150 O GLN A 74 -2.101 -8.536 -10.878 1.00 0.00 O ATOM 1151 CB GLN A 74 -0.236 -6.462 -10.682 1.00 0.00 C ATOM 1152 CG GLN A 74 -1.081 -5.388 -11.349 1.00 0.00 C ATOM 1153 CD GLN A 74 -1.433 -5.729 -12.784 1.00 0.00 C ATOM 1154 OE1 GLN A 74 -0.701 -5.386 -13.713 1.00 0.00 O ATOM 1155 NE2 GLN A 74 -2.559 -6.407 -12.972 1.00 0.00 N ATOM 0 H GLN A 74 1.032 -7.847 -9.091 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.224 -6.250 -8.784 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.732 -6.038 -10.416 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.047 -7.261 -11.399 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.998 -5.246 -10.778 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.542 -4.441 -11.326 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.135 -6.671 -12.173 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.848 -6.664 -13.916 1.00 0.00 H new ATOM 1164 N ALA A 75 -3.100 -7.916 -8.959 1.00 0.00 N ATOM 1165 CA ALA A 75 -4.314 -8.681 -9.213 1.00 0.00 C ATOM 1166 C ALA A 75 -4.988 -8.223 -10.502 1.00 0.00 C ATOM 1167 O ALA A 75 -5.202 -9.015 -11.420 1.00 0.00 O ATOM 1168 CB ALA A 75 -5.272 -8.551 -8.040 1.00 0.00 C ATOM 0 H ALA A 75 -3.103 -7.401 -8.078 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.039 -9.729 -9.329 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.175 -9.127 -8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.794 -8.930 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.534 -7.503 -7.899 1.00 0.00 H new ATOM 1174 N THR A 76 -5.317 -6.938 -10.561 1.00 0.00 N ATOM 1175 CA THR A 76 -5.966 -6.364 -11.734 1.00 0.00 C ATOM 1176 C THR A 76 -5.221 -5.112 -12.194 1.00 0.00 C ATOM 1177 O THR A 76 -4.465 -4.517 -11.427 1.00 0.00 O ATOM 1178 CB THR A 76 -7.429 -6.022 -11.422 1.00 0.00 C ATOM 1179 OG1 THR A 76 -7.542 -4.716 -10.884 1.00 0.00 O ATOM 1180 CG2 THR A 76 -8.076 -6.978 -10.440 1.00 0.00 C ATOM 0 H THR A 76 -5.144 -6.272 -9.808 1.00 0.00 H new ATOM 0 HA THR A 76 -5.942 -7.101 -12.537 1.00 0.00 H new ATOM 0 HB THR A 76 -7.947 -6.101 -12.378 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.483 -4.520 -10.695 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.109 -6.677 -10.265 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.057 -7.988 -10.849 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.528 -6.958 -9.498 1.00 0.00 H new ATOM 1188 N PRO A 77 -5.421 -4.691 -13.457 1.00 0.00 N ATOM 1189 CA PRO A 77 -4.764 -3.505 -14.009 1.00 0.00 C ATOM 1190 C PRO A 77 -4.865 -2.299 -13.078 1.00 0.00 C ATOM 1191 O PRO A 77 -4.019 -1.404 -13.113 1.00 0.00 O ATOM 1192 CB PRO A 77 -5.518 -3.238 -15.323 1.00 0.00 C ATOM 1193 CG PRO A 77 -6.687 -4.170 -15.319 1.00 0.00 C ATOM 1194 CD PRO A 77 -6.298 -5.327 -14.446 1.00 0.00 C ATOM 0 HA PRO A 77 -3.696 -3.668 -14.150 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.846 -2.200 -15.382 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.877 -3.419 -16.186 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.578 -3.675 -14.934 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.920 -4.506 -16.329 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.165 -5.794 -13.980 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.781 -6.105 -15.008 1.00 0.00 H new ATOM 1202 N ASN A 78 -5.902 -2.281 -12.246 1.00 0.00 N ATOM 1203 CA ASN A 78 -6.107 -1.184 -11.307 1.00 0.00 C ATOM 1204 C ASN A 78 -6.300 -1.709 -9.885 1.00 0.00 C ATOM 1205 O ASN A 78 -7.330 -1.465 -9.257 1.00 0.00 O ATOM 1206 CB ASN A 78 -7.314 -0.343 -11.729 1.00 0.00 C ATOM 1207 CG ASN A 78 -8.610 -1.130 -11.694 1.00 0.00 C ATOM 1208 OD1 ASN A 78 -8.860 -1.974 -12.554 1.00 0.00 O ATOM 1209 ND2 ASN A 78 -9.441 -0.855 -10.696 1.00 0.00 N ATOM 0 H ASN A 78 -6.612 -3.012 -12.203 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.216 -0.556 -11.320 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.399 0.521 -11.070 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.152 0.040 -12.737 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.329 -1.352 -10.620 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.192 -0.147 -10.005 1.00 0.00 H new ATOM 1216 N PHE A 79 -5.298 -2.425 -9.383 1.00 0.00 N ATOM 1217 CA PHE A 79 -5.355 -2.979 -8.033 1.00 0.00 C ATOM 1218 C PHE A 79 -4.041 -3.667 -7.671 1.00 0.00 C ATOM 1219 O PHE A 79 -3.529 -4.485 -8.436 1.00 0.00 O ATOM 1220 CB PHE A 79 -6.513 -3.972 -7.916 1.00 0.00 C ATOM 1221 CG PHE A 79 -6.936 -4.238 -6.499 1.00 0.00 C ATOM 1222 CD1 PHE A 79 -6.136 -4.987 -5.651 1.00 0.00 C ATOM 1223 CD2 PHE A 79 -8.135 -3.739 -6.016 1.00 0.00 C ATOM 1224 CE1 PHE A 79 -6.525 -5.234 -4.347 1.00 0.00 C ATOM 1225 CE2 PHE A 79 -8.529 -3.982 -4.714 1.00 0.00 C ATOM 1226 CZ PHE A 79 -7.722 -4.730 -3.879 1.00 0.00 C ATOM 0 H PHE A 79 -4.438 -2.635 -9.889 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.518 -2.157 -7.336 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.367 -3.589 -8.476 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -6.222 -4.913 -8.382 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.198 -5.382 -6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.769 -3.153 -6.665 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.893 -5.820 -3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.466 -3.588 -4.350 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.027 -4.920 -2.861 1.00 0.00 H new ATOM 1236 N HIS A 80 -3.502 -3.334 -6.501 1.00 0.00 N ATOM 1237 CA HIS A 80 -2.250 -3.926 -6.044 1.00 0.00 C ATOM 1238 C HIS A 80 -2.460 -4.682 -4.739 1.00 0.00 C ATOM 1239 O HIS A 80 -3.341 -4.340 -3.953 1.00 0.00 O ATOM 1240 CB HIS A 80 -1.177 -2.851 -5.870 1.00 0.00 C ATOM 1241 CG HIS A 80 -0.192 -2.825 -6.997 1.00 0.00 C ATOM 1242 ND1 HIS A 80 -0.133 -1.808 -7.926 1.00 0.00 N ATOM 1243 CD2 HIS A 80 0.768 -3.711 -7.353 1.00 0.00 C ATOM 1244 CE1 HIS A 80 0.816 -2.072 -8.806 1.00 0.00 C ATOM 1245 NE2 HIS A 80 1.378 -3.220 -8.480 1.00 0.00 N ATOM 0 H HIS A 80 -3.912 -2.660 -5.855 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.911 -4.632 -6.802 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.657 -1.875 -5.790 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.646 -3.023 -4.934 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -0.729 -0.981 -7.933 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.009 -4.633 -6.845 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.086 -1.453 -9.649 1.00 0.00 H new ATOM 1254 N GLN A 81 -1.656 -5.718 -4.518 1.00 0.00 N ATOM 1255 CA GLN A 81 -1.772 -6.526 -3.309 1.00 0.00 C ATOM 1256 C GLN A 81 -0.476 -7.280 -3.021 1.00 0.00 C ATOM 1257 O GLN A 81 0.269 -7.632 -3.937 1.00 0.00 O ATOM 1258 CB GLN A 81 -2.933 -7.516 -3.458 1.00 0.00 C ATOM 1259 CG GLN A 81 -3.011 -8.556 -2.350 1.00 0.00 C ATOM 1260 CD GLN A 81 -3.933 -9.708 -2.699 1.00 0.00 C ATOM 1261 OE1 GLN A 81 -5.009 -9.509 -3.262 1.00 0.00 O ATOM 1262 NE2 GLN A 81 -3.514 -10.923 -2.365 1.00 0.00 N ATOM 0 H GLN A 81 -0.920 -6.017 -5.158 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.967 -5.859 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.870 -6.959 -3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.839 -8.028 -4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.012 -8.943 -2.148 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.360 -8.080 -1.433 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.614 -11.042 -1.899 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.092 -11.737 -2.574 1.00 0.00 H new ATOM 1271 N TRP A 82 -0.224 -7.536 -1.741 1.00 0.00 N ATOM 1272 CA TRP A 82 0.973 -8.262 -1.324 1.00 0.00 C ATOM 1273 C TRP A 82 0.735 -9.025 -0.029 1.00 0.00 C ATOM 1274 O TRP A 82 -0.234 -8.776 0.690 1.00 0.00 O ATOM 1275 CB TRP A 82 2.156 -7.316 -1.125 1.00 0.00 C ATOM 1276 CG TRP A 82 1.835 -6.115 -0.290 1.00 0.00 C ATOM 1277 CD1 TRP A 82 2.113 -5.941 1.035 1.00 0.00 C ATOM 1278 CD2 TRP A 82 1.181 -4.920 -0.724 1.00 0.00 C ATOM 1279 NE1 TRP A 82 1.672 -4.708 1.451 1.00 0.00 N ATOM 1280 CE2 TRP A 82 1.096 -4.062 0.389 1.00 0.00 C ATOM 1281 CE3 TRP A 82 0.660 -4.492 -1.946 1.00 0.00 C ATOM 1282 CZ2 TRP A 82 0.512 -2.801 0.314 1.00 0.00 C ATOM 1283 CZ3 TRP A 82 0.080 -3.242 -2.020 1.00 0.00 C ATOM 1284 CH2 TRP A 82 0.010 -2.408 -0.896 1.00 0.00 C ATOM 0 H TRP A 82 -0.833 -7.252 -0.973 1.00 0.00 H new ATOM 0 HA TRP A 82 1.204 -8.967 -2.122 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.973 -7.865 -0.657 1.00 0.00 H new ATOM 0 HB3 TRP A 82 2.512 -6.984 -2.100 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.607 -6.666 1.664 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.759 -4.335 2.396 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.710 -5.127 -2.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.457 -2.157 1.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.327 -2.901 -2.960 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.450 -1.435 -0.987 1.00 0.00 H new ATOM 1295 N ARG A 83 1.649 -9.941 0.266 1.00 0.00 N ATOM 1296 CA ARG A 83 1.581 -10.738 1.480 1.00 0.00 C ATOM 1297 C ARG A 83 2.847 -10.532 2.302 1.00 0.00 C ATOM 1298 O ARG A 83 3.941 -10.903 1.876 1.00 0.00 O ATOM 1299 CB ARG A 83 1.410 -12.220 1.139 1.00 0.00 C ATOM 1300 CG ARG A 83 1.064 -13.085 2.340 1.00 0.00 C ATOM 1301 CD ARG A 83 1.091 -14.563 1.988 1.00 0.00 C ATOM 1302 NE ARG A 83 0.396 -15.375 2.983 1.00 0.00 N ATOM 1303 CZ ARG A 83 -0.929 -15.420 3.110 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -1.703 -14.703 2.304 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -1.480 -16.182 4.043 1.00 0.00 N ATOM 0 H ARG A 83 2.453 -10.150 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 83 0.718 -10.417 2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.626 -12.323 0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.332 -12.589 0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.771 -12.889 3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.075 -12.816 2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.629 -14.712 1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.125 -14.897 1.906 1.00 0.00 H new ATOM 0 HE ARG A 83 0.958 -15.941 3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.283 -14.115 1.584 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.717 -14.740 2.405 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.889 -16.735 4.665 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.495 -16.216 4.140 1.00 0.00 H new ATOM 1319 N ASP A 84 2.697 -9.931 3.474 1.00 0.00 N ATOM 1320 CA ASP A 84 3.836 -9.667 4.342 1.00 0.00 C ATOM 1321 C ASP A 84 4.017 -10.805 5.346 1.00 0.00 C ATOM 1322 O ASP A 84 5.139 -11.172 5.692 1.00 0.00 O ATOM 1323 CB ASP A 84 3.644 -8.322 5.061 1.00 0.00 C ATOM 1324 CG ASP A 84 4.203 -8.305 6.474 1.00 0.00 C ATOM 1325 OD1 ASP A 84 5.397 -7.977 6.636 1.00 0.00 O ATOM 1326 OD2 ASP A 84 3.445 -8.620 7.416 1.00 0.00 O ATOM 0 H ASP A 84 1.800 -9.618 3.845 1.00 0.00 H new ATOM 0 HA ASP A 84 4.740 -9.609 3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.125 -7.536 4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.580 -8.087 5.097 1.00 0.00 H new ATOM 1331 N ALA A 85 2.901 -11.361 5.798 1.00 0.00 N ATOM 1332 CA ALA A 85 2.917 -12.463 6.755 1.00 0.00 C ATOM 1333 C ALA A 85 1.541 -13.106 6.842 1.00 0.00 C ATOM 1334 O ALA A 85 1.346 -14.248 6.423 1.00 0.00 O ATOM 1335 CB ALA A 85 3.364 -11.971 8.123 1.00 0.00 C ATOM 0 H ALA A 85 1.966 -11.066 5.516 1.00 0.00 H new ATOM 0 HA ALA A 85 3.628 -13.214 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.371 -12.805 8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.367 -11.551 8.049 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.675 -11.204 8.477 1.00 0.00 H new ATOM 1341 N ARG A 86 0.587 -12.352 7.369 1.00 0.00 N ATOM 1342 CA ARG A 86 -0.787 -12.820 7.498 1.00 0.00 C ATOM 1343 C ARG A 86 -1.761 -11.684 7.208 1.00 0.00 C ATOM 1344 O ARG A 86 -2.942 -11.757 7.551 1.00 0.00 O ATOM 1345 CB ARG A 86 -1.041 -13.381 8.899 1.00 0.00 C ATOM 1346 CG ARG A 86 -2.412 -14.022 9.057 1.00 0.00 C ATOM 1347 CD ARG A 86 -2.477 -14.907 10.292 1.00 0.00 C ATOM 1348 NE ARG A 86 -2.050 -14.198 11.497 1.00 0.00 N ATOM 1349 CZ ARG A 86 -0.811 -14.237 11.990 1.00 0.00 C ATOM 1350 NH1 ARG A 86 0.135 -14.947 11.385 1.00 0.00 N ATOM 1351 NH2 ARG A 86 -0.517 -13.562 13.093 1.00 0.00 N ATOM 0 H ARG A 86 0.741 -11.406 7.717 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.944 -13.618 6.772 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.274 -14.120 9.130 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.938 -12.577 9.628 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.172 -13.244 9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.641 -14.615 8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.497 -15.268 10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.846 -15.783 10.144 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.744 -13.638 11.992 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.083 -15.468 10.536 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.079 -14.971 11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.238 -13.014 13.563 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.430 -13.591 13.471 1.00 0.00 H new ATOM 1365 N GLN A 87 -1.256 -10.631 6.572 1.00 0.00 N ATOM 1366 CA GLN A 87 -2.070 -9.475 6.233 1.00 0.00 C ATOM 1367 C GLN A 87 -1.924 -9.136 4.757 1.00 0.00 C ATOM 1368 O GLN A 87 -0.850 -8.737 4.304 1.00 0.00 O ATOM 1369 CB GLN A 87 -1.661 -8.272 7.085 1.00 0.00 C ATOM 1370 CG GLN A 87 -2.789 -7.278 7.316 1.00 0.00 C ATOM 1371 CD GLN A 87 -3.265 -7.257 8.755 1.00 0.00 C ATOM 1372 OE1 GLN A 87 -3.599 -6.202 9.296 1.00 0.00 O ATOM 1373 NE2 GLN A 87 -3.300 -8.426 9.385 1.00 0.00 N ATOM 0 H GLN A 87 -0.281 -10.558 6.281 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.113 -9.717 6.436 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.298 -8.627 8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.830 -7.760 6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.452 -6.280 7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.626 -7.527 6.664 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.014 -9.276 8.899 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.613 -8.474 10.355 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.009 -9.287 4.010 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.998 -8.984 2.587 1.00 0.00 C ATOM 1384 C VAL A 88 -3.461 -7.556 2.360 1.00 0.00 C ATOM 1385 O VAL A 88 -4.632 -7.232 2.554 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.898 -9.944 1.785 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -3.483 -9.968 0.322 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -3.863 -11.344 2.382 1.00 0.00 C ATOM 0 H VAL A 88 -3.906 -9.617 4.366 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.974 -9.109 2.235 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.924 -9.580 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.130 -10.651 -0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.572 -8.966 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.449 -10.304 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.506 -12.004 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.841 -11.722 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.217 -11.309 3.412 1.00 0.00 H new ATOM 1398 N TRP A 89 -2.528 -6.697 1.977 1.00 0.00 N ATOM 1399 CA TRP A 89 -2.834 -5.293 1.757 1.00 0.00 C ATOM 1400 C TRP A 89 -3.164 -5.005 0.298 1.00 0.00 C ATOM 1401 O TRP A 89 -2.298 -4.606 -0.482 1.00 0.00 O ATOM 1402 CB TRP A 89 -1.664 -4.431 2.227 1.00 0.00 C ATOM 1403 CG TRP A 89 -1.480 -4.470 3.713 1.00 0.00 C ATOM 1404 CD1 TRP A 89 -0.798 -5.409 4.434 1.00 0.00 C ATOM 1405 CD2 TRP A 89 -1.999 -3.532 4.661 1.00 0.00 C ATOM 1406 NE1 TRP A 89 -0.864 -5.113 5.775 1.00 0.00 N ATOM 1407 CE2 TRP A 89 -1.595 -3.963 5.940 1.00 0.00 C ATOM 1408 CE3 TRP A 89 -2.766 -2.369 4.552 1.00 0.00 C ATOM 1409 CZ2 TRP A 89 -1.935 -3.270 7.099 1.00 0.00 C ATOM 1410 CZ3 TRP A 89 -3.100 -1.682 5.703 1.00 0.00 C ATOM 1411 CH2 TRP A 89 -2.686 -2.132 6.961 1.00 0.00 C ATOM 0 H TRP A 89 -1.553 -6.948 1.812 1.00 0.00 H new ATOM 0 HA TRP A 89 -3.721 -5.045 2.339 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.749 -4.772 1.742 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -1.827 -3.400 1.912 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.283 -6.259 4.012 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.439 -5.659 6.525 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.092 -2.014 3.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.618 -3.617 8.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.691 -0.781 5.630 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -2.964 -1.571 7.841 1.00 0.00 H new ATOM 1422 N GLY A 90 -4.431 -5.196 -0.054 1.00 0.00 N ATOM 1423 CA GLY A 90 -4.876 -4.937 -1.408 1.00 0.00 C ATOM 1424 C GLY A 90 -5.502 -3.573 -1.541 1.00 0.00 C ATOM 1425 O GLY A 90 -6.327 -3.190 -0.723 1.00 0.00 O ATOM 0 H GLY A 90 -5.159 -5.527 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.029 -5.016 -2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.597 -5.698 -1.705 1.00 0.00 H new ATOM 1429 N LEU A 91 -5.103 -2.827 -2.560 1.00 0.00 N ATOM 1430 CA LEU A 91 -5.640 -1.488 -2.763 1.00 0.00 C ATOM 1431 C LEU A 91 -6.251 -1.332 -4.145 1.00 0.00 C ATOM 1432 O LEU A 91 -5.620 -1.644 -5.155 1.00 0.00 O ATOM 1433 CB LEU A 91 -4.550 -0.423 -2.578 1.00 0.00 C ATOM 1434 CG LEU A 91 -3.332 -0.846 -1.753 1.00 0.00 C ATOM 1435 CD1 LEU A 91 -3.761 -1.465 -0.431 1.00 0.00 C ATOM 1436 CD2 LEU A 91 -2.465 -1.808 -2.549 1.00 0.00 C ATOM 0 H LEU A 91 -4.416 -3.121 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.419 -1.347 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.205 -0.109 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.999 0.450 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.742 0.042 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.878 -1.758 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.337 -0.738 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.376 -2.344 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.602 -2.101 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.046 -2.694 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.124 -1.320 -3.462 1.00 0.00 H new ATOM 1448 N ASN A 92 -7.472 -0.821 -4.182 1.00 0.00 N ATOM 1449 CA ASN A 92 -8.155 -0.592 -5.449 1.00 0.00 C ATOM 1450 C ASN A 92 -7.893 0.833 -5.922 1.00 0.00 C ATOM 1451 O ASN A 92 -8.366 1.798 -5.321 1.00 0.00 O ATOM 1452 CB ASN A 92 -9.659 -0.823 -5.307 1.00 0.00 C ATOM 1453 CG ASN A 92 -10.327 -1.149 -6.632 1.00 0.00 C ATOM 1454 OD1 ASN A 92 -11.154 -2.057 -6.712 1.00 0.00 O ATOM 1455 ND2 ASN A 92 -9.974 -0.410 -7.683 1.00 0.00 N ATOM 0 H ASN A 92 -8.009 -0.558 -3.356 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.768 -1.298 -6.184 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.833 -1.639 -4.606 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.121 0.067 -4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.393 -0.588 -8.596 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.284 0.334 -7.575 1.00 0.00 H new ATOM 1462 N PHE A 93 -7.122 0.955 -6.997 1.00 0.00 N ATOM 1463 CA PHE A 93 -6.774 2.257 -7.552 1.00 0.00 C ATOM 1464 C PHE A 93 -7.936 2.874 -8.316 1.00 0.00 C ATOM 1465 O PHE A 93 -8.890 2.189 -8.686 1.00 0.00 O ATOM 1466 CB PHE A 93 -5.560 2.133 -8.469 1.00 0.00 C ATOM 1467 CG PHE A 93 -4.350 1.556 -7.790 1.00 0.00 C ATOM 1468 CD1 PHE A 93 -3.496 2.359 -7.048 1.00 0.00 C ATOM 1469 CD2 PHE A 93 -4.071 0.205 -7.887 1.00 0.00 C ATOM 1470 CE1 PHE A 93 -2.390 1.822 -6.419 1.00 0.00 C ATOM 1471 CE2 PHE A 93 -2.967 -0.336 -7.263 1.00 0.00 C ATOM 1472 CZ PHE A 93 -2.125 0.472 -6.528 1.00 0.00 C ATOM 0 H PHE A 93 -6.725 0.164 -7.503 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.534 2.915 -6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.822 1.506 -9.321 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.310 3.118 -8.863 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.698 3.416 -6.961 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.727 -0.435 -8.459 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.734 2.457 -5.843 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.762 -1.393 -7.350 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.260 0.049 -6.039 1.00 0.00 H new ATOM 1482 N GLY A 94 -7.843 4.178 -8.549 1.00 0.00 N ATOM 1483 CA GLY A 94 -8.886 4.882 -9.272 1.00 0.00 C ATOM 1484 C GLY A 94 -8.681 4.834 -10.772 1.00 0.00 C ATOM 1485 O GLY A 94 -9.642 4.906 -11.540 1.00 0.00 O ATOM 0 H GLY A 94 -7.062 4.762 -8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.854 4.445 -9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.913 5.921 -8.945 1.00 0.00 H new ATOM 1489 N SER A 95 -7.426 4.712 -11.192 1.00 0.00 N ATOM 1490 CA SER A 95 -7.095 4.654 -12.610 1.00 0.00 C ATOM 1491 C SER A 95 -5.859 3.790 -12.845 1.00 0.00 C ATOM 1492 O SER A 95 -5.273 3.258 -11.903 1.00 0.00 O ATOM 1493 CB SER A 95 -6.860 6.062 -13.160 1.00 0.00 C ATOM 1494 OG SER A 95 -7.832 6.970 -12.670 1.00 0.00 O ATOM 0 H SER A 95 -6.621 4.651 -10.569 1.00 0.00 H new ATOM 0 HA SER A 95 -7.937 4.203 -13.135 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.864 6.404 -12.879 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.894 6.041 -14.249 1.00 0.00 H new ATOM 0 HG SER A 95 -7.659 7.863 -13.035 1.00 0.00 H new ATOM 1500 N LYS A 96 -5.471 3.656 -14.108 1.00 0.00 N ATOM 1501 CA LYS A 96 -4.306 2.856 -14.470 1.00 0.00 C ATOM 1502 C LYS A 96 -3.014 3.558 -14.065 1.00 0.00 C ATOM 1503 O LYS A 96 -2.034 2.910 -13.693 1.00 0.00 O ATOM 1504 CB LYS A 96 -4.301 2.577 -15.973 1.00 0.00 C ATOM 1505 CG LYS A 96 -5.589 1.946 -16.480 1.00 0.00 C ATOM 1506 CD LYS A 96 -6.144 2.694 -17.684 1.00 0.00 C ATOM 1507 CE LYS A 96 -7.377 3.507 -17.318 1.00 0.00 C ATOM 1508 NZ LYS A 96 -7.535 4.700 -18.194 1.00 0.00 N ATOM 0 H LYS A 96 -5.946 4.091 -14.899 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.365 1.910 -13.932 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.130 3.512 -16.507 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.466 1.917 -16.209 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.403 0.907 -16.751 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.331 1.940 -15.681 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.377 3.356 -18.087 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.397 1.983 -18.470 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.264 2.878 -17.398 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.306 3.827 -16.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.386 5.227 -17.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.701 5.313 -18.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.629 4.394 -19.184 1.00 0.00 H new ATOM 1522 N GLU A 97 -3.016 4.884 -14.142 1.00 0.00 N ATOM 1523 CA GLU A 97 -1.841 5.672 -13.785 1.00 0.00 C ATOM 1524 C GLU A 97 -1.493 5.496 -12.311 1.00 0.00 C ATOM 1525 O GLU A 97 -0.351 5.196 -11.965 1.00 0.00 O ATOM 1526 CB GLU A 97 -2.077 7.151 -14.093 1.00 0.00 C ATOM 1527 CG GLU A 97 -2.273 7.441 -15.572 1.00 0.00 C ATOM 1528 CD GLU A 97 -3.716 7.288 -16.011 1.00 0.00 C ATOM 1529 OE1 GLU A 97 -4.596 7.920 -15.390 1.00 0.00 O ATOM 1530 OE2 GLU A 97 -3.966 6.536 -16.976 1.00 0.00 O ATOM 0 H GLU A 97 -3.817 5.436 -14.448 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.002 5.314 -14.382 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.955 7.492 -13.545 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.229 7.730 -13.727 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.938 8.456 -15.787 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.646 6.768 -16.156 1.00 0.00 H new ATOM 1537 N ASP A 98 -2.486 5.679 -11.445 1.00 0.00 N ATOM 1538 CA ASP A 98 -2.281 5.535 -10.007 1.00 0.00 C ATOM 1539 C ASP A 98 -1.639 4.190 -9.687 1.00 0.00 C ATOM 1540 O ASP A 98 -0.555 4.128 -9.104 1.00 0.00 O ATOM 1541 CB ASP A 98 -3.614 5.666 -9.265 1.00 0.00 C ATOM 1542 CG ASP A 98 -4.416 6.867 -9.723 1.00 0.00 C ATOM 1543 OD1 ASP A 98 -3.846 7.977 -9.775 1.00 0.00 O ATOM 1544 OD2 ASP A 98 -5.615 6.698 -10.031 1.00 0.00 O ATOM 0 H ASP A 98 -3.438 5.927 -11.713 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.611 6.328 -9.677 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.202 4.761 -9.418 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.424 5.746 -8.195 1.00 0.00 H new ATOM 1549 N ALA A 99 -2.314 3.116 -10.079 1.00 0.00 N ATOM 1550 CA ALA A 99 -1.817 1.765 -9.843 1.00 0.00 C ATOM 1551 C ALA A 99 -0.391 1.596 -10.363 1.00 0.00 C ATOM 1552 O ALA A 99 0.407 0.859 -9.783 1.00 0.00 O ATOM 1553 CB ALA A 99 -2.744 0.749 -10.494 1.00 0.00 C ATOM 0 H ALA A 99 -3.211 3.155 -10.564 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.798 1.594 -8.767 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.366 -0.257 -10.313 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.743 0.843 -10.068 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.788 0.932 -11.568 1.00 0.00 H new ATOM 1559 N ALA A 100 -0.075 2.280 -11.459 1.00 0.00 N ATOM 1560 CA ALA A 100 1.255 2.198 -12.051 1.00 0.00 C ATOM 1561 C ALA A 100 2.277 2.976 -11.227 1.00 0.00 C ATOM 1562 O ALA A 100 3.446 2.595 -11.150 1.00 0.00 O ATOM 1563 CB ALA A 100 1.227 2.713 -13.482 1.00 0.00 C ATOM 0 H ALA A 100 -0.721 2.896 -11.954 1.00 0.00 H new ATOM 0 HA ALA A 100 1.557 1.151 -12.057 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.226 2.646 -13.912 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.537 2.110 -14.072 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.898 3.752 -13.488 1.00 0.00 H new ATOM 1569 N GLN A 101 1.830 4.066 -10.613 1.00 0.00 N ATOM 1570 CA GLN A 101 2.707 4.897 -9.797 1.00 0.00 C ATOM 1571 C GLN A 101 3.012 4.225 -8.463 1.00 0.00 C ATOM 1572 O GLN A 101 4.166 4.173 -8.026 1.00 0.00 O ATOM 1573 CB GLN A 101 2.063 6.264 -9.552 1.00 0.00 C ATOM 1574 CG GLN A 101 3.034 7.312 -9.033 1.00 0.00 C ATOM 1575 CD GLN A 101 4.156 7.605 -10.010 1.00 0.00 C ATOM 1576 OE1 GLN A 101 4.122 8.602 -10.731 1.00 0.00 O ATOM 1577 NE2 GLN A 101 5.157 6.733 -10.040 1.00 0.00 N ATOM 0 H GLN A 101 0.866 4.394 -10.665 1.00 0.00 H new ATOM 0 HA GLN A 101 3.643 5.031 -10.338 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.621 6.620 -10.483 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.249 6.149 -8.836 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.490 8.233 -8.824 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.459 6.971 -8.089 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.144 5.920 -9.424 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.939 6.876 -10.679 1.00 0.00 H new ATOM 1586 N PHE A 102 1.969 3.716 -7.815 1.00 0.00 N ATOM 1587 CA PHE A 102 2.119 3.050 -6.527 1.00 0.00 C ATOM 1588 C PHE A 102 3.198 1.974 -6.589 1.00 0.00 C ATOM 1589 O PHE A 102 4.135 1.975 -5.791 1.00 0.00 O ATOM 1590 CB PHE A 102 0.785 2.444 -6.087 1.00 0.00 C ATOM 1591 CG PHE A 102 0.762 2.039 -4.643 1.00 0.00 C ATOM 1592 CD1 PHE A 102 1.006 2.974 -3.653 1.00 0.00 C ATOM 1593 CD2 PHE A 102 0.494 0.730 -4.276 1.00 0.00 C ATOM 1594 CE1 PHE A 102 0.983 2.615 -2.321 1.00 0.00 C ATOM 1595 CE2 PHE A 102 0.472 0.364 -2.943 1.00 0.00 C ATOM 1596 CZ PHE A 102 0.716 1.308 -1.964 1.00 0.00 C ATOM 0 H PHE A 102 1.010 3.752 -8.161 1.00 0.00 H new ATOM 0 HA PHE A 102 2.428 3.794 -5.793 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.011 3.167 -6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.569 1.572 -6.705 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.217 3.997 -3.926 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.301 -0.011 -5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.174 3.355 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 102 0.264 -0.659 -2.667 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.698 1.024 -0.922 1.00 0.00 H new ATOM 1606 N ALA A 103 3.069 1.065 -7.549 1.00 0.00 N ATOM 1607 CA ALA A 103 4.044 -0.005 -7.718 1.00 0.00 C ATOM 1608 C ALA A 103 5.415 0.566 -8.056 1.00 0.00 C ATOM 1609 O ALA A 103 6.445 -0.018 -7.722 1.00 0.00 O ATOM 1610 CB ALA A 103 3.594 -0.958 -8.809 1.00 0.00 C ATOM 0 H ALA A 103 2.301 1.048 -8.220 1.00 0.00 H new ATOM 0 HA ALA A 103 4.119 -0.552 -6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.331 -1.752 -8.925 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.632 -1.393 -8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.495 -0.415 -9.749 1.00 0.00 H new ATOM 1616 N ALA A 104 5.414 1.716 -8.724 1.00 0.00 N ATOM 1617 CA ALA A 104 6.653 2.381 -9.117 1.00 0.00 C ATOM 1618 C ALA A 104 7.640 2.427 -7.959 1.00 0.00 C ATOM 1619 O ALA A 104 8.701 1.798 -7.998 1.00 0.00 O ATOM 1620 CB ALA A 104 6.357 3.790 -9.613 1.00 0.00 C ATOM 0 H ALA A 104 4.566 2.208 -9.005 1.00 0.00 H new ATOM 0 HA ALA A 104 7.106 1.807 -9.925 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.288 4.277 -9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.690 3.740 -10.474 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.881 4.363 -8.818 1.00 0.00 H new ATOM 1626 N GLY A 105 7.276 3.169 -6.922 1.00 0.00 N ATOM 1627 CA GLY A 105 8.138 3.276 -5.760 1.00 0.00 C ATOM 1628 C GLY A 105 8.322 1.946 -5.077 1.00 0.00 C ATOM 1629 O GLY A 105 9.438 1.572 -4.715 1.00 0.00 O ATOM 0 H GLY A 105 6.405 3.696 -6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.109 3.667 -6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.712 3.991 -5.056 1.00 0.00 H new ATOM 1633 N MET A 106 7.221 1.226 -4.904 1.00 0.00 N ATOM 1634 CA MET A 106 7.259 -0.076 -4.262 1.00 0.00 C ATOM 1635 C MET A 106 8.340 -0.944 -4.885 1.00 0.00 C ATOM 1636 O MET A 106 9.265 -1.384 -4.207 1.00 0.00 O ATOM 1637 CB MET A 106 5.910 -0.770 -4.388 1.00 0.00 C ATOM 1638 CG MET A 106 5.913 -2.154 -3.784 1.00 0.00 C ATOM 1639 SD MET A 106 5.865 -2.114 -1.987 1.00 0.00 S ATOM 1640 CE MET A 106 6.165 -3.837 -1.645 1.00 0.00 C ATOM 0 H MET A 106 6.292 1.524 -5.200 1.00 0.00 H new ATOM 0 HA MET A 106 7.486 0.071 -3.206 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.147 -0.165 -3.898 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.637 -0.837 -5.441 1.00 0.00 H new ATOM 0 HG2 MET A 106 5.054 -2.712 -4.156 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.806 -2.688 -4.110 1.00 0.00 H new ATOM 0 HE1 MET A 106 5.322 -4.250 -1.091 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.283 -4.379 -2.583 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.073 -3.937 -1.051 1.00 0.00 H new ATOM 1650 N ALA A 107 8.212 -1.178 -6.185 1.00 0.00 N ATOM 1651 CA ALA A 107 9.182 -1.981 -6.920 1.00 0.00 C ATOM 1652 C ALA A 107 10.596 -1.590 -6.511 1.00 0.00 C ATOM 1653 O ALA A 107 11.477 -2.439 -6.378 1.00 0.00 O ATOM 1654 CB ALA A 107 8.991 -1.805 -8.419 1.00 0.00 C ATOM 0 H ALA A 107 7.444 -0.822 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 107 9.025 -3.032 -6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.723 -2.411 -8.953 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.986 -2.121 -8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.127 -0.756 -8.682 1.00 0.00 H new ATOM 1660 N SER A 108 10.793 -0.292 -6.288 1.00 0.00 N ATOM 1661 CA SER A 108 12.088 0.222 -5.864 1.00 0.00 C ATOM 1662 C SER A 108 12.428 -0.302 -4.472 1.00 0.00 C ATOM 1663 O SER A 108 13.577 -0.638 -4.186 1.00 0.00 O ATOM 1664 CB SER A 108 12.082 1.751 -5.863 1.00 0.00 C ATOM 1665 OG SER A 108 13.329 2.267 -6.294 1.00 0.00 O ATOM 0 H SER A 108 10.071 0.420 -6.395 1.00 0.00 H new ATOM 0 HA SER A 108 12.846 -0.122 -6.568 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.289 2.115 -6.516 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.861 2.116 -4.860 1.00 0.00 H new ATOM 0 HG SER A 108 13.298 3.246 -6.286 1.00 0.00 H new ATOM 1671 N ALA A 109 11.414 -0.379 -3.611 1.00 0.00 N ATOM 1672 CA ALA A 109 11.598 -0.878 -2.251 1.00 0.00 C ATOM 1673 C ALA A 109 12.054 -2.330 -2.267 1.00 0.00 C ATOM 1674 O ALA A 109 13.095 -2.673 -1.713 1.00 0.00 O ATOM 1675 CB ALA A 109 10.305 -0.742 -1.455 1.00 0.00 C ATOM 0 H ALA A 109 10.458 -0.102 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 109 12.371 -0.279 -1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.459 -1.118 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.013 0.307 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.517 -1.318 -1.940 1.00 0.00 H new ATOM 1681 N LEU A 110 11.260 -3.176 -2.909 1.00 0.00 N ATOM 1682 CA LEU A 110 11.561 -4.598 -3.008 1.00 0.00 C ATOM 1683 C LEU A 110 12.898 -4.835 -3.709 1.00 0.00 C ATOM 1684 O LEU A 110 13.499 -5.901 -3.573 1.00 0.00 O ATOM 1685 CB LEU A 110 10.439 -5.320 -3.759 1.00 0.00 C ATOM 1686 CG LEU A 110 9.019 -4.888 -3.373 1.00 0.00 C ATOM 1687 CD1 LEU A 110 8.003 -5.410 -4.380 1.00 0.00 C ATOM 1688 CD2 LEU A 110 8.684 -5.367 -1.969 1.00 0.00 C ATOM 0 H LEU A 110 10.395 -2.899 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 110 11.635 -4.999 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.574 -5.157 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.537 -6.392 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 110 8.974 -3.799 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.003 -5.092 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.234 -5.014 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.044 -6.499 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.673 -5.053 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.747 -6.454 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.391 -4.937 -1.260 1.00 0.00 H new ATOM 1700 N GLU A 111 13.353 -3.841 -4.463 1.00 0.00 N ATOM 1701 CA GLU A 111 14.612 -3.946 -5.192 1.00 0.00 C ATOM 1702 C GLU A 111 15.770 -3.353 -4.402 1.00 0.00 C ATOM 1703 O GLU A 111 16.930 -3.705 -4.621 1.00 0.00 O ATOM 1704 CB GLU A 111 14.491 -3.241 -6.536 1.00 0.00 C ATOM 1705 CG GLU A 111 14.244 -4.201 -7.674 1.00 0.00 C ATOM 1706 CD GLU A 111 14.367 -3.546 -9.036 1.00 0.00 C ATOM 1707 OE1 GLU A 111 15.494 -3.155 -9.407 1.00 0.00 O ATOM 1708 OE2 GLU A 111 13.337 -3.426 -9.732 1.00 0.00 O ATOM 0 H GLU A 111 12.868 -2.952 -4.586 1.00 0.00 H new ATOM 0 HA GLU A 111 14.820 -5.005 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.676 -2.519 -6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.404 -2.679 -6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.954 -5.026 -7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.247 -4.630 -7.571 1.00 0.00 H new ATOM 1715 N ALA A 112 15.447 -2.469 -3.476 1.00 0.00 N ATOM 1716 CA ALA A 112 16.457 -1.837 -2.640 1.00 0.00 C ATOM 1717 C ALA A 112 16.557 -2.557 -1.309 1.00 0.00 C ATOM 1718 O ALA A 112 17.371 -2.207 -0.455 1.00 0.00 O ATOM 1719 CB ALA A 112 16.129 -0.367 -2.417 1.00 0.00 C ATOM 0 H ALA A 112 14.491 -2.170 -3.282 1.00 0.00 H new ATOM 0 HA ALA A 112 17.417 -1.901 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 112 16.897 0.086 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.095 0.148 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.161 -0.281 -1.924 1.00 0.00 H new ATOM 1725 N LEU A 113 15.713 -3.566 -1.141 1.00 0.00 N ATOM 1726 CA LEU A 113 15.686 -4.340 0.077 1.00 0.00 C ATOM 1727 C LEU A 113 16.163 -5.763 -0.190 1.00 0.00 C ATOM 1728 O LEU A 113 16.732 -6.415 0.686 1.00 0.00 O ATOM 1729 CB LEU A 113 14.266 -4.326 0.641 1.00 0.00 C ATOM 1730 CG LEU A 113 14.108 -3.656 2.009 1.00 0.00 C ATOM 1731 CD1 LEU A 113 14.513 -4.614 3.121 1.00 0.00 C ATOM 1732 CD2 LEU A 113 14.934 -2.377 2.081 1.00 0.00 C ATOM 0 H LEU A 113 15.036 -3.864 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 113 16.362 -3.901 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.616 -3.817 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.913 -5.355 0.716 1.00 0.00 H new ATOM 0 HG LEU A 113 13.058 -3.394 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.395 -4.122 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.880 -5.501 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 113 15.555 -4.906 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.807 -1.917 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.986 -2.614 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.600 -1.684 1.309 1.00 0.00 H new ATOM 1744 N GLU A 114 15.944 -6.232 -1.417 1.00 0.00 N ATOM 1745 CA GLU A 114 16.363 -7.569 -1.814 1.00 0.00 C ATOM 1746 C GLU A 114 17.766 -7.533 -2.408 1.00 0.00 C ATOM 1747 O GLU A 114 18.545 -8.473 -2.246 1.00 0.00 O ATOM 1748 CB GLU A 114 15.381 -8.154 -2.831 1.00 0.00 C ATOM 1749 CG GLU A 114 14.049 -8.567 -2.229 1.00 0.00 C ATOM 1750 CD GLU A 114 13.814 -10.062 -2.301 1.00 0.00 C ATOM 1751 OE1 GLU A 114 14.807 -10.817 -2.374 1.00 0.00 O ATOM 1752 OE2 GLU A 114 12.636 -10.480 -2.282 1.00 0.00 O ATOM 0 H GLU A 114 15.477 -5.702 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 114 16.373 -8.203 -0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.202 -7.418 -3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.839 -9.021 -3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 114 14.011 -8.247 -1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 114 13.243 -8.051 -2.751 1.00 0.00 H new ATOM 1759 N GLY A 115 18.084 -6.441 -3.099 1.00 0.00 N ATOM 1760 CA GLY A 115 19.394 -6.303 -3.706 1.00 0.00 C ATOM 1761 C GLY A 115 19.538 -7.128 -4.970 1.00 0.00 C ATOM 1762 O GLY A 115 20.500 -7.919 -5.056 1.00 0.00 O ATOM 1763 OXT GLY A 115 18.686 -6.984 -5.873 1.00 0.00 O ATOM 0 H GLY A 115 17.457 -5.650 -3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 115 19.574 -5.253 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 115 20.157 -6.606 -2.989 1.00 0.00 H new