USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 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 39 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 LYS NZ :NH3+ -148:sc= -0.218 (180deg=-1.61!) USER MOD Set 1.3: A 49 ASN : amide:sc= -0.539 K(o=-0.76,f=-3.7) USER MOD Single : A 16 GLN : amide:sc= -0.031 X(o=-0.031,f=-0.35) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.132 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= 2.58 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.55) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -2.52 F(o=-3.8,f=-2.5) USER MOD Single : A 58 SER OG : rot 79:sc= 1.1 USER MOD Single : A 63 MET CE :methyl -122:sc= -5.13! (180deg=-7.71!) USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= 0.117 (180deg=-0.087) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -50:sc= 1.01 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -168:sc= -1.59 (180deg=-2.58!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc=-0.000258 X(o=-0.00026,f=-0.46) USER MOD Single : A 77 GLN : amide:sc= -0.114 K(o=-0.11,f=-1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 100:sc= 0.656 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -1.33 F(o=-2.3,f=-1.3) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -107:sc= 0.127 (180deg=-1.9) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.5!) USER MOD Single : A 100 GLN :FLIP amide:sc= -1.36 F(o=-2.5,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 16 -2.913 -27.948 2.467 1.00 0.00 N ATOM 2 CA GLN A 16 -4.187 -27.934 1.757 1.00 0.00 C ATOM 3 C GLN A 16 -5.221 -27.105 2.512 1.00 0.00 C ATOM 4 O GLN A 16 -5.633 -27.463 3.615 1.00 0.00 O ATOM 5 CB GLN A 16 -4.705 -29.362 1.567 1.00 0.00 C ATOM 6 CG GLN A 16 -3.642 -30.339 1.085 1.00 0.00 C ATOM 7 CD GLN A 16 -3.485 -30.331 -0.422 1.00 0.00 C ATOM 8 OE1 GLN A 16 -4.467 -30.388 -1.162 1.00 0.00 O ATOM 9 NE2 GLN A 16 -2.242 -30.261 -0.886 1.00 0.00 N ATOM 0 HA GLN A 16 -4.024 -27.480 0.780 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.113 -29.720 2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.526 -29.349 0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.687 -30.089 1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.902 -31.345 1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.457 -30.215 -0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.073 -30.253 -1.892 1.00 0.00 H new ATOM 18 N GLY A 17 -5.639 -25.996 1.909 1.00 0.00 N ATOM 19 CA GLY A 17 -6.622 -25.135 2.540 1.00 0.00 C ATOM 20 C GLY A 17 -6.119 -23.716 2.724 1.00 0.00 C ATOM 21 O GLY A 17 -4.918 -23.464 2.623 1.00 0.00 O ATOM 0 H GLY A 17 -5.315 -25.679 0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.529 -25.120 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.893 -25.550 3.511 1.00 0.00 H new ATOM 25 N PRO A 18 -7.022 -22.758 2.998 1.00 0.00 N ATOM 26 CA PRO A 18 -6.651 -21.353 3.197 1.00 0.00 C ATOM 27 C PRO A 18 -5.894 -21.134 4.501 1.00 0.00 C ATOM 28 O PRO A 18 -6.238 -21.707 5.535 1.00 0.00 O ATOM 29 CB PRO A 18 -7.999 -20.631 3.231 1.00 0.00 C ATOM 30 CG PRO A 18 -8.969 -21.663 3.690 1.00 0.00 C ATOM 31 CD PRO A 18 -8.475 -22.971 3.137 1.00 0.00 C ATOM 0 HA PRO A 18 -5.981 -20.993 2.416 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.975 -19.780 3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.267 -20.246 2.247 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.020 -21.694 4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.974 -21.442 3.330 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.697 -23.800 3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.940 -23.203 2.179 1.00 0.00 H new ATOM 39 N GLY A 19 -4.860 -20.299 4.445 1.00 0.00 N ATOM 40 CA GLY A 19 -4.069 -20.017 5.629 1.00 0.00 C ATOM 41 C GLY A 19 -3.001 -18.974 5.372 1.00 0.00 C ATOM 42 O GLY A 19 -1.852 -19.136 5.785 1.00 0.00 O ATOM 0 H GLY A 19 -4.556 -19.813 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.725 -19.672 6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.599 -20.937 5.977 1.00 0.00 H new ATOM 46 N SER A 20 -3.379 -17.900 4.686 1.00 0.00 N ATOM 47 CA SER A 20 -2.447 -16.823 4.371 1.00 0.00 C ATOM 48 C SER A 20 -3.151 -15.700 3.616 1.00 0.00 C ATOM 49 O SER A 20 -2.872 -14.522 3.833 1.00 0.00 O ATOM 50 CB SER A 20 -1.279 -17.356 3.541 1.00 0.00 C ATOM 51 OG SER A 20 -1.711 -18.357 2.635 1.00 0.00 O ATOM 0 H SER A 20 -4.326 -17.752 4.337 1.00 0.00 H new ATOM 0 HA SER A 20 -2.063 -16.423 5.309 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.817 -16.537 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.516 -17.765 4.203 1.00 0.00 H new ATOM 0 HG SER A 20 -0.946 -18.680 2.115 1.00 0.00 H new ATOM 57 N LEU A 21 -4.067 -16.075 2.728 1.00 0.00 N ATOM 58 CA LEU A 21 -4.813 -15.100 1.937 1.00 0.00 C ATOM 59 C LEU A 21 -5.501 -14.078 2.838 1.00 0.00 C ATOM 60 O LEU A 21 -5.652 -12.913 2.468 1.00 0.00 O ATOM 61 CB LEU A 21 -5.853 -15.809 1.066 1.00 0.00 C ATOM 62 CG LEU A 21 -5.291 -16.505 -0.175 1.00 0.00 C ATOM 63 CD1 LEU A 21 -6.183 -17.665 -0.590 1.00 0.00 C ATOM 64 CD2 LEU A 21 -5.137 -15.513 -1.318 1.00 0.00 C ATOM 0 H LEU A 21 -4.311 -17.047 2.538 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.107 -14.574 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.372 -16.549 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.598 -15.079 0.749 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.306 -16.903 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.766 -18.147 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.241 -18.388 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.182 -17.293 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.736 -16.025 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.109 -15.085 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.455 -14.717 -1.019 1.00 0.00 H new ATOM 76 N VAL A 22 -5.914 -14.520 4.022 1.00 0.00 N ATOM 77 CA VAL A 22 -6.585 -13.643 4.973 1.00 0.00 C ATOM 78 C VAL A 22 -5.696 -12.459 5.348 1.00 0.00 C ATOM 79 O VAL A 22 -6.144 -11.311 5.345 1.00 0.00 O ATOM 80 CB VAL A 22 -6.990 -14.403 6.252 1.00 0.00 C ATOM 81 CG1 VAL A 22 -5.765 -14.970 6.952 1.00 0.00 C ATOM 82 CG2 VAL A 22 -7.777 -13.497 7.188 1.00 0.00 C ATOM 0 H VAL A 22 -5.795 -15.480 4.345 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.487 -13.274 4.485 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.632 -15.236 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.074 -15.502 7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.249 -15.658 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.093 -14.157 7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.053 -14.052 8.084 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.163 -12.640 7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.679 -13.149 6.684 1.00 0.00 H new ATOM 92 N LYS A 23 -4.436 -12.742 5.663 1.00 0.00 N ATOM 93 CA LYS A 23 -3.490 -11.694 6.033 1.00 0.00 C ATOM 94 C LYS A 23 -3.304 -10.718 4.878 1.00 0.00 C ATOM 95 O LYS A 23 -3.264 -9.502 5.073 1.00 0.00 O ATOM 96 CB LYS A 23 -2.145 -12.307 6.429 1.00 0.00 C ATOM 97 CG LYS A 23 -1.721 -11.971 7.850 1.00 0.00 C ATOM 98 CD LYS A 23 -1.065 -13.159 8.534 1.00 0.00 C ATOM 99 CE LYS A 23 -0.727 -12.852 9.982 1.00 0.00 C ATOM 100 NZ LYS A 23 -0.370 -14.081 10.742 1.00 0.00 N ATOM 0 H LYS A 23 -4.047 -13.685 5.670 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.891 -11.151 6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.203 -13.390 6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.378 -11.959 5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.027 -11.131 7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.591 -11.655 8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.733 -14.019 8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.156 -13.433 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.104 -12.148 10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.578 -12.365 10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.146 -13.828 11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.172 -14.743 10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.458 -14.532 10.303 1.00 0.00 H new ATOM 114 N VAL A 24 -3.205 -11.263 3.671 1.00 0.00 N ATOM 115 CA VAL A 24 -3.035 -10.449 2.476 1.00 0.00 C ATOM 116 C VAL A 24 -4.175 -9.444 2.348 1.00 0.00 C ATOM 117 O VAL A 24 -3.953 -8.265 2.070 1.00 0.00 O ATOM 118 CB VAL A 24 -2.978 -11.320 1.206 1.00 0.00 C ATOM 119 CG1 VAL A 24 -2.685 -10.467 -0.018 1.00 0.00 C ATOM 120 CG2 VAL A 24 -1.936 -12.418 1.361 1.00 0.00 C ATOM 0 H VAL A 24 -3.240 -12.267 3.495 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.089 -9.917 2.576 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.952 -11.789 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.649 -11.102 -0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.470 -9.721 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.725 -9.966 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.909 -13.024 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.957 -11.969 1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.195 -13.048 2.212 1.00 0.00 H new ATOM 130 N GLY A 25 -5.398 -9.918 2.569 1.00 0.00 N ATOM 131 CA GLY A 25 -6.553 -9.047 2.492 1.00 0.00 C ATOM 132 C GLY A 25 -6.491 -7.942 3.525 1.00 0.00 C ATOM 133 O GLY A 25 -6.872 -6.803 3.254 1.00 0.00 O ATOM 0 H GLY A 25 -5.608 -10.889 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.614 -8.610 1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.461 -9.632 2.639 1.00 0.00 H new ATOM 137 N THR A 26 -5.993 -8.279 4.712 1.00 0.00 N ATOM 138 CA THR A 26 -5.865 -7.308 5.791 1.00 0.00 C ATOM 139 C THR A 26 -5.008 -6.130 5.341 1.00 0.00 C ATOM 140 O THR A 26 -5.351 -4.972 5.578 1.00 0.00 O ATOM 141 CB THR A 26 -5.251 -7.964 7.029 1.00 0.00 C ATOM 142 OG1 THR A 26 -5.579 -9.341 7.082 1.00 0.00 O ATOM 143 CG2 THR A 26 -5.704 -7.333 8.328 1.00 0.00 C ATOM 0 H THR A 26 -5.672 -9.218 4.949 1.00 0.00 H new ATOM 0 HA THR A 26 -6.859 -6.942 6.048 1.00 0.00 H new ATOM 0 HB THR A 26 -4.175 -7.818 6.929 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.315 -9.707 7.952 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.231 -7.846 9.166 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.420 -6.281 8.340 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.787 -7.418 8.415 1.00 0.00 H new ATOM 151 N LEU A 27 -3.897 -6.435 4.679 1.00 0.00 N ATOM 152 CA LEU A 27 -3.005 -5.395 4.185 1.00 0.00 C ATOM 153 C LEU A 27 -3.726 -4.531 3.162 1.00 0.00 C ATOM 154 O LEU A 27 -3.607 -3.307 3.177 1.00 0.00 O ATOM 155 CB LEU A 27 -1.747 -6.011 3.569 1.00 0.00 C ATOM 156 CG LEU A 27 -0.600 -5.029 3.323 1.00 0.00 C ATOM 157 CD1 LEU A 27 -0.184 -4.361 4.624 1.00 0.00 C ATOM 158 CD2 LEU A 27 0.582 -5.741 2.683 1.00 0.00 C ATOM 0 H LEU A 27 -3.595 -7.387 4.474 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.703 -4.769 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.391 -6.805 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.016 -6.477 2.621 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.947 -4.256 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.633 -3.666 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.032 -3.818 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.146 -5.120 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.389 -5.028 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.931 -6.534 3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.275 -6.172 1.730 1.00 0.00 H new ATOM 170 N LYS A 28 -4.497 -5.173 2.286 1.00 0.00 N ATOM 171 CA LYS A 28 -5.258 -4.446 1.277 1.00 0.00 C ATOM 172 C LYS A 28 -6.101 -3.375 1.957 1.00 0.00 C ATOM 173 O LYS A 28 -6.234 -2.256 1.460 1.00 0.00 O ATOM 174 CB LYS A 28 -6.153 -5.400 0.485 1.00 0.00 C ATOM 175 CG LYS A 28 -6.551 -4.870 -0.882 1.00 0.00 C ATOM 176 CD LYS A 28 -5.476 -5.148 -1.922 1.00 0.00 C ATOM 177 CE LYS A 28 -5.476 -4.094 -3.018 1.00 0.00 C ATOM 178 NZ LYS A 28 -5.222 -4.689 -4.359 1.00 0.00 N ATOM 0 H LYS A 28 -4.610 -6.186 2.256 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.565 -3.975 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.635 -6.351 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.055 -5.602 1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.488 -5.331 -1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.729 -3.797 -0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.499 -5.173 -1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.639 -6.132 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.436 -3.578 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.713 -3.346 -2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.601 -4.060 -5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.198 -4.807 -4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.689 -5.616 -4.422 1.00 0.00 H new ATOM 192 N LYS A 29 -6.641 -3.727 3.120 1.00 0.00 N ATOM 193 CA LYS A 29 -7.444 -2.797 3.897 1.00 0.00 C ATOM 194 C LYS A 29 -6.568 -1.645 4.365 1.00 0.00 C ATOM 195 O LYS A 29 -6.978 -0.484 4.332 1.00 0.00 O ATOM 196 CB LYS A 29 -8.081 -3.503 5.096 1.00 0.00 C ATOM 197 CG LYS A 29 -9.461 -4.071 4.806 1.00 0.00 C ATOM 198 CD LYS A 29 -9.375 -5.413 4.097 1.00 0.00 C ATOM 199 CE LYS A 29 -10.719 -5.826 3.520 1.00 0.00 C ATOM 200 NZ LYS A 29 -10.871 -7.305 3.465 1.00 0.00 N ATOM 0 H LYS A 29 -6.535 -4.649 3.542 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.247 -2.410 3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.426 -4.311 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.154 -2.799 5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.011 -4.187 5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.022 -3.368 4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.637 -5.356 3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.029 -6.174 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.520 -5.402 4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.825 -5.413 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.801 -7.544 3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.123 -7.709 2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.796 -7.698 4.425 1.00 0.00 H new ATOM 214 N ARG A 30 -5.342 -1.971 4.780 1.00 0.00 N ATOM 215 CA ARG A 30 -4.401 -0.953 5.225 1.00 0.00 C ATOM 216 C ARG A 30 -4.068 -0.019 4.068 1.00 0.00 C ATOM 217 O ARG A 30 -3.814 1.170 4.263 1.00 0.00 O ATOM 218 CB ARG A 30 -3.123 -1.602 5.762 1.00 0.00 C ATOM 219 CG ARG A 30 -3.377 -2.667 6.817 1.00 0.00 C ATOM 220 CD ARG A 30 -2.101 -3.039 7.553 1.00 0.00 C ATOM 221 NE ARG A 30 -1.520 -1.897 8.255 1.00 0.00 N ATOM 222 CZ ARG A 30 -0.377 -1.948 8.934 1.00 0.00 C ATOM 223 NH1 ARG A 30 0.312 -3.081 9.005 1.00 0.00 N ATOM 224 NH2 ARG A 30 0.081 -0.864 9.544 1.00 0.00 N ATOM 0 H ARG A 30 -4.984 -2.925 4.816 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.860 -0.378 6.030 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.576 -2.048 4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.483 -0.828 6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.117 -2.304 7.530 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.798 -3.555 6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.314 -3.834 8.268 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.375 -3.435 6.843 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.020 -1.009 8.223 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.034 -3.919 8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.188 -3.114 9.527 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.443 0.010 9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.957 -0.904 10.064 1.00 0.00 H new ATOM 238 N LEU A 31 -4.089 -0.569 2.857 1.00 0.00 N ATOM 239 CA LEU A 31 -3.809 0.209 1.658 1.00 0.00 C ATOM 240 C LEU A 31 -4.859 1.299 1.484 1.00 0.00 C ATOM 241 O LEU A 31 -4.531 2.466 1.278 1.00 0.00 O ATOM 242 CB LEU A 31 -3.786 -0.705 0.428 1.00 0.00 C ATOM 243 CG LEU A 31 -2.474 -0.700 -0.357 1.00 0.00 C ATOM 244 CD1 LEU A 31 -1.513 -1.740 0.199 1.00 0.00 C ATOM 245 CD2 LEU A 31 -2.739 -0.953 -1.834 1.00 0.00 C ATOM 0 H LEU A 31 -4.298 -1.552 2.682 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.831 0.678 1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.996 -1.725 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.593 -0.408 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.013 0.282 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.585 -1.721 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.300 -1.516 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.965 -2.729 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.795 -0.946 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.222 -1.923 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.390 -0.172 -2.226 1.00 0.00 H new ATOM 257 N ASP A 32 -6.127 0.906 1.585 1.00 0.00 N ATOM 258 CA ASP A 32 -7.230 1.852 1.452 1.00 0.00 C ATOM 259 C ASP A 32 -7.123 2.942 2.512 1.00 0.00 C ATOM 260 O ASP A 32 -7.418 4.109 2.252 1.00 0.00 O ATOM 261 CB ASP A 32 -8.571 1.128 1.581 1.00 0.00 C ATOM 262 CG ASP A 32 -8.973 0.422 0.301 1.00 0.00 C ATOM 263 OD1 ASP A 32 -9.154 1.112 -0.725 1.00 0.00 O ATOM 264 OD2 ASP A 32 -9.106 -0.819 0.322 1.00 0.00 O ATOM 0 H ASP A 32 -6.414 -0.057 1.758 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.173 2.312 0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.511 0.400 2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.344 1.846 1.854 1.00 0.00 H new ATOM 269 N LYS A 33 -6.683 2.552 3.707 1.00 0.00 N ATOM 270 CA LYS A 33 -6.520 3.492 4.809 1.00 0.00 C ATOM 271 C LYS A 33 -5.575 4.620 4.408 1.00 0.00 C ATOM 272 O LYS A 33 -5.889 5.802 4.572 1.00 0.00 O ATOM 273 CB LYS A 33 -5.984 2.759 6.046 1.00 0.00 C ATOM 274 CG LYS A 33 -5.479 3.681 7.148 1.00 0.00 C ATOM 275 CD LYS A 33 -6.617 4.448 7.801 1.00 0.00 C ATOM 276 CE LYS A 33 -6.942 3.901 9.182 1.00 0.00 C ATOM 277 NZ LYS A 33 -6.799 4.940 10.239 1.00 0.00 N ATOM 0 H LYS A 33 -6.433 1.590 3.935 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.491 3.926 5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.774 2.127 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.173 2.099 5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.955 3.094 7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.757 4.384 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.348 5.501 7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.504 4.392 7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.961 3.514 9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.282 3.063 9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.029 4.527 11.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.820 5.291 10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.447 5.729 10.041 1.00 0.00 H new ATOM 291 N PHE A 34 -4.417 4.247 3.875 1.00 0.00 N ATOM 292 CA PHE A 34 -3.424 5.223 3.441 1.00 0.00 C ATOM 293 C PHE A 34 -4.010 6.151 2.384 1.00 0.00 C ATOM 294 O PHE A 34 -3.836 7.367 2.447 1.00 0.00 O ATOM 295 CB PHE A 34 -2.184 4.513 2.888 1.00 0.00 C ATOM 296 CG PHE A 34 -1.741 3.337 3.712 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.752 3.399 5.095 1.00 0.00 C ATOM 298 CD2 PHE A 34 -1.312 2.171 3.099 1.00 0.00 C ATOM 299 CE1 PHE A 34 -1.344 2.318 5.855 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.903 1.087 3.853 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.919 1.160 5.232 1.00 0.00 C ATOM 0 H PHE A 34 -4.142 3.275 3.733 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.132 5.820 4.305 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.392 4.176 1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.365 5.229 2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.083 4.302 5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.297 2.108 2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.358 2.379 6.933 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.571 0.183 3.364 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.600 0.314 5.822 1.00 0.00 H new ATOM 311 N ASN A 35 -4.708 5.567 1.413 1.00 0.00 N ATOM 312 CA ASN A 35 -5.325 6.339 0.339 1.00 0.00 C ATOM 313 C ASN A 35 -6.172 7.477 0.900 1.00 0.00 C ATOM 314 O ASN A 35 -6.121 8.604 0.407 1.00 0.00 O ATOM 315 CB ASN A 35 -6.188 5.432 -0.539 1.00 0.00 C ATOM 316 CG ASN A 35 -5.365 4.636 -1.532 1.00 0.00 C ATOM 317 OD1 ASN A 35 -5.319 3.408 -1.475 1.00 0.00 O ATOM 318 ND2 ASN A 35 -4.707 5.335 -2.450 1.00 0.00 N ATOM 0 H ASN A 35 -4.860 4.560 1.348 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.528 6.769 -0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.751 4.746 0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.916 6.038 -1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.135 4.854 -3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.773 6.353 -2.461 1.00 0.00 H new ATOM 325 N GLU A 36 -6.949 7.175 1.935 1.00 0.00 N ATOM 326 CA GLU A 36 -7.803 8.175 2.564 1.00 0.00 C ATOM 327 C GLU A 36 -6.965 9.310 3.137 1.00 0.00 C ATOM 328 O GLU A 36 -7.187 10.482 2.829 1.00 0.00 O ATOM 329 CB GLU A 36 -8.647 7.537 3.670 1.00 0.00 C ATOM 330 CG GLU A 36 -9.511 6.384 3.187 1.00 0.00 C ATOM 331 CD GLU A 36 -10.974 6.559 3.547 1.00 0.00 C ATOM 332 OE1 GLU A 36 -11.596 7.523 3.057 1.00 0.00 O ATOM 333 OE2 GLU A 36 -11.496 5.730 4.322 1.00 0.00 O ATOM 0 H GLU A 36 -7.005 6.247 2.355 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.469 8.582 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.986 7.179 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.288 8.300 4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.416 6.292 2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.143 5.454 3.620 1.00 0.00 H new ATOM 340 N VAL A 37 -5.995 8.951 3.970 1.00 0.00 N ATOM 341 CA VAL A 37 -5.114 9.935 4.587 1.00 0.00 C ATOM 342 C VAL A 37 -4.378 10.745 3.523 1.00 0.00 C ATOM 343 O VAL A 37 -4.170 11.949 3.679 1.00 0.00 O ATOM 344 CB VAL A 37 -4.082 9.265 5.514 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.270 10.315 6.257 1.00 0.00 C ATOM 346 CG2 VAL A 37 -4.773 8.325 6.493 1.00 0.00 C ATOM 0 H VAL A 37 -5.799 7.985 4.234 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.742 10.599 5.181 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.399 8.677 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.546 9.823 6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.744 10.944 5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.937 10.932 6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.028 7.861 7.139 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.480 8.889 7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.306 7.551 5.940 1.00 0.00 H new ATOM 356 N VAL A 38 -3.991 10.076 2.442 1.00 0.00 N ATOM 357 CA VAL A 38 -3.282 10.730 1.350 1.00 0.00 C ATOM 358 C VAL A 38 -4.209 11.658 0.572 1.00 0.00 C ATOM 359 O VAL A 38 -3.819 12.758 0.182 1.00 0.00 O ATOM 360 CB VAL A 38 -2.676 9.696 0.378 1.00 0.00 C ATOM 361 CG1 VAL A 38 -1.833 10.386 -0.685 1.00 0.00 C ATOM 362 CG2 VAL A 38 -1.849 8.669 1.137 1.00 0.00 C ATOM 0 H VAL A 38 -4.157 9.080 2.299 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.478 11.315 1.797 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.493 9.176 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.415 9.639 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.456 11.078 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.023 10.936 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.430 7.948 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.040 9.173 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.484 8.149 1.855 1.00 0.00 H new ATOM 372 N SER A 39 -5.441 11.207 0.351 1.00 0.00 N ATOM 373 CA SER A 39 -6.426 11.998 -0.381 1.00 0.00 C ATOM 374 C SER A 39 -6.662 13.341 0.304 1.00 0.00 C ATOM 375 O SER A 39 -6.829 14.365 -0.357 1.00 0.00 O ATOM 376 CB SER A 39 -7.744 11.228 -0.495 1.00 0.00 C ATOM 377 OG SER A 39 -7.886 10.649 -1.780 1.00 0.00 O ATOM 0 H SER A 39 -5.781 10.299 0.668 1.00 0.00 H new ATOM 0 HA SER A 39 -6.036 12.186 -1.381 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.780 10.448 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.580 11.900 -0.301 1.00 0.00 H new ATOM 0 HG SER A 39 -8.735 10.161 -1.827 1.00 0.00 H new ATOM 383 N ALA A 40 -6.675 13.325 1.633 1.00 0.00 N ATOM 384 CA ALA A 40 -6.889 14.542 2.409 1.00 0.00 C ATOM 385 C ALA A 40 -5.688 15.482 2.316 1.00 0.00 C ATOM 386 O ALA A 40 -5.805 16.678 2.581 1.00 0.00 O ATOM 387 CB ALA A 40 -7.178 14.194 3.862 1.00 0.00 C ATOM 0 H ALA A 40 -6.540 12.484 2.195 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.751 15.061 1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.336 15.110 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.073 13.574 3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.332 13.648 4.281 1.00 0.00 H new ATOM 393 N LEU A 41 -4.535 14.934 1.941 1.00 0.00 N ATOM 394 CA LEU A 41 -3.317 15.728 1.817 1.00 0.00 C ATOM 395 C LEU A 41 -3.342 16.583 0.555 1.00 0.00 C ATOM 396 O LEU A 41 -2.955 17.752 0.579 1.00 0.00 O ATOM 397 CB LEU A 41 -2.089 14.815 1.801 1.00 0.00 C ATOM 398 CG LEU A 41 -1.819 14.068 3.108 1.00 0.00 C ATOM 399 CD1 LEU A 41 -0.884 12.893 2.869 1.00 0.00 C ATOM 400 CD2 LEU A 41 -1.235 15.011 4.148 1.00 0.00 C ATOM 0 H LEU A 41 -4.419 13.945 1.718 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.261 16.392 2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.209 14.084 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.213 15.415 1.556 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.766 13.681 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.704 12.374 3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.339 12.205 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.062 13.257 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.049 14.463 5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.298 15.426 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.939 15.820 4.341 1.00 0.00 H new ATOM 412 N LYS A 42 -3.797 15.992 -0.546 1.00 0.00 N ATOM 413 CA LYS A 42 -3.872 16.698 -1.824 1.00 0.00 C ATOM 414 C LYS A 42 -2.484 17.103 -2.321 1.00 0.00 C ATOM 415 O LYS A 42 -2.357 17.917 -3.235 1.00 0.00 O ATOM 416 CB LYS A 42 -4.752 17.939 -1.693 1.00 0.00 C ATOM 417 CG LYS A 42 -6.241 17.639 -1.739 1.00 0.00 C ATOM 418 CD LYS A 42 -6.848 17.620 -0.345 1.00 0.00 C ATOM 419 CE LYS A 42 -8.238 17.004 -0.351 1.00 0.00 C ATOM 420 NZ LYS A 42 -9.260 17.947 -0.883 1.00 0.00 N ATOM 0 H LYS A 42 -4.120 15.025 -0.580 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.311 16.016 -2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.520 18.441 -0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.505 18.635 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.746 18.390 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.405 16.675 -2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.202 17.055 0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.901 18.637 0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.231 16.097 -0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.509 16.709 0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.194 17.490 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.285 18.802 -0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.016 18.209 -1.859 1.00 0.00 H new ATOM 434 N ASP A 43 -1.450 16.530 -1.716 1.00 0.00 N ATOM 435 CA ASP A 43 -0.075 16.832 -2.099 1.00 0.00 C ATOM 436 C ASP A 43 0.726 15.548 -2.290 1.00 0.00 C ATOM 437 O ASP A 43 0.494 14.554 -1.604 1.00 0.00 O ATOM 438 CB ASP A 43 0.591 17.710 -1.039 1.00 0.00 C ATOM 439 CG ASP A 43 1.741 18.524 -1.601 1.00 0.00 C ATOM 440 OD1 ASP A 43 1.543 19.195 -2.636 1.00 0.00 O ATOM 441 OD2 ASP A 43 2.838 18.490 -1.006 1.00 0.00 O ATOM 0 H ASP A 43 -1.537 15.853 -0.958 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.096 17.373 -3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.151 18.383 -0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.957 17.081 -0.228 1.00 0.00 H new ATOM 446 N GLY A 44 1.667 15.574 -3.230 1.00 0.00 N ATOM 447 CA GLY A 44 2.481 14.402 -3.494 1.00 0.00 C ATOM 448 C GLY A 44 1.645 13.189 -3.855 1.00 0.00 C ATOM 449 O GLY A 44 2.050 12.053 -3.612 1.00 0.00 O ATOM 0 H GLY A 44 1.879 16.384 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.173 14.619 -4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.084 14.176 -2.615 1.00 0.00 H new ATOM 453 N LYS A 45 0.473 13.437 -4.430 1.00 0.00 N ATOM 454 CA LYS A 45 -0.439 12.368 -4.826 1.00 0.00 C ATOM 455 C LYS A 45 0.181 11.450 -5.880 1.00 0.00 C ATOM 456 O LYS A 45 0.136 10.228 -5.742 1.00 0.00 O ATOM 457 CB LYS A 45 -1.744 12.962 -5.360 1.00 0.00 C ATOM 458 CG LYS A 45 -2.716 13.379 -4.266 1.00 0.00 C ATOM 459 CD LYS A 45 -3.914 12.447 -4.197 1.00 0.00 C ATOM 460 CE LYS A 45 -3.705 11.344 -3.172 1.00 0.00 C ATOM 461 NZ LYS A 45 -4.930 10.516 -2.989 1.00 0.00 N ATOM 0 H LYS A 45 0.130 14.376 -4.634 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.644 11.767 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.512 13.829 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.229 12.230 -6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.202 13.384 -3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.057 14.398 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.806 13.018 -3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.089 12.005 -5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.880 10.706 -3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.419 11.785 -2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.977 10.179 -2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.772 11.090 -3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.897 9.701 -3.634 1.00 0.00 H new ATOM 475 N PRO A 46 0.755 12.013 -6.960 1.00 0.00 N ATOM 476 CA PRO A 46 1.361 11.212 -8.028 1.00 0.00 C ATOM 477 C PRO A 46 2.421 10.240 -7.515 1.00 0.00 C ATOM 478 O PRO A 46 2.443 9.074 -7.906 1.00 0.00 O ATOM 479 CB PRO A 46 1.994 12.254 -8.964 1.00 0.00 C ATOM 480 CG PRO A 46 2.005 13.531 -8.195 1.00 0.00 C ATOM 481 CD PRO A 46 0.849 13.454 -7.240 1.00 0.00 C ATOM 0 HA PRO A 46 0.618 10.582 -8.517 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.004 11.961 -9.251 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.418 12.356 -9.884 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.946 13.654 -7.658 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.903 14.388 -8.861 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.033 14.031 -6.334 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.069 13.841 -7.683 1.00 0.00 H new ATOM 489 N GLU A 47 3.301 10.724 -6.644 1.00 0.00 N ATOM 490 CA GLU A 47 4.365 9.886 -6.095 1.00 0.00 C ATOM 491 C GLU A 47 3.810 8.833 -5.138 1.00 0.00 C ATOM 492 O GLU A 47 4.111 7.644 -5.265 1.00 0.00 O ATOM 493 CB GLU A 47 5.411 10.746 -5.378 1.00 0.00 C ATOM 494 CG GLU A 47 4.841 11.597 -4.255 1.00 0.00 C ATOM 495 CD GLU A 47 5.866 12.548 -3.668 1.00 0.00 C ATOM 496 OE1 GLU A 47 6.639 12.118 -2.787 1.00 0.00 O ATOM 497 OE2 GLU A 47 5.895 13.724 -4.090 1.00 0.00 O ATOM 0 H GLU A 47 3.300 11.686 -6.304 1.00 0.00 H new ATOM 0 HA GLU A 47 4.839 9.369 -6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.185 10.096 -4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.893 11.398 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.993 12.169 -4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.461 10.946 -3.467 1.00 0.00 H new ATOM 504 N VAL A 48 3.000 9.267 -4.185 1.00 0.00 N ATOM 505 CA VAL A 48 2.416 8.344 -3.220 1.00 0.00 C ATOM 506 C VAL A 48 1.530 7.324 -3.919 1.00 0.00 C ATOM 507 O VAL A 48 1.745 6.124 -3.776 1.00 0.00 O ATOM 508 CB VAL A 48 1.616 9.084 -2.124 1.00 0.00 C ATOM 509 CG1 VAL A 48 0.478 9.897 -2.721 1.00 0.00 C ATOM 510 CG2 VAL A 48 1.089 8.100 -1.089 1.00 0.00 C ATOM 0 H VAL A 48 2.733 10.243 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 48 3.241 7.823 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 48 2.294 9.778 -1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.064 10.405 -1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.883 10.636 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.201 9.234 -3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.529 8.640 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.435 7.376 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.925 7.578 -0.624 1.00 0.00 H new ATOM 520 N ASN A 49 0.552 7.801 -4.688 1.00 0.00 N ATOM 521 CA ASN A 49 -0.365 6.922 -5.414 1.00 0.00 C ATOM 522 C ASN A 49 0.393 5.885 -6.238 1.00 0.00 C ATOM 523 O ASN A 49 0.029 4.710 -6.251 1.00 0.00 O ATOM 524 CB ASN A 49 -1.271 7.744 -6.330 1.00 0.00 C ATOM 525 CG ASN A 49 -2.298 8.550 -5.555 1.00 0.00 C ATOM 526 OD1 ASN A 49 -2.646 8.210 -4.425 1.00 0.00 O ATOM 527 ND2 ASN A 49 -2.787 9.623 -6.163 1.00 0.00 N ATOM 0 H ASN A 49 0.374 8.796 -4.825 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.973 6.396 -4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.661 8.419 -6.930 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.784 7.077 -7.023 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.481 10.204 -5.692 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.469 9.867 -7.101 1.00 0.00 H new ATOM 534 N ARG A 50 1.446 6.317 -6.926 1.00 0.00 N ATOM 535 CA ARG A 50 2.235 5.403 -7.744 1.00 0.00 C ATOM 536 C ARG A 50 2.846 4.299 -6.883 1.00 0.00 C ATOM 537 O ARG A 50 2.946 3.149 -7.311 1.00 0.00 O ATOM 538 CB ARG A 50 3.318 6.163 -8.525 1.00 0.00 C ATOM 539 CG ARG A 50 4.596 6.443 -7.742 1.00 0.00 C ATOM 540 CD ARG A 50 5.788 5.700 -8.326 1.00 0.00 C ATOM 541 NE ARG A 50 6.074 6.114 -9.700 1.00 0.00 N ATOM 542 CZ ARG A 50 5.702 5.429 -10.782 1.00 0.00 C ATOM 543 NH1 ARG A 50 5.017 4.297 -10.666 1.00 0.00 N ATOM 544 NH2 ARG A 50 6.013 5.884 -11.988 1.00 0.00 N ATOM 0 H ARG A 50 1.770 7.284 -6.934 1.00 0.00 H new ATOM 0 HA ARG A 50 1.571 4.934 -8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.573 5.589 -9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.902 7.111 -8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.798 7.514 -7.746 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.457 6.148 -6.702 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.665 5.877 -7.704 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.593 4.628 -8.304 1.00 0.00 H new ATOM 0 HE ARG A 50 6.591 6.982 -9.839 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.770 3.943 -9.742 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.738 3.782 -11.501 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.535 6.755 -12.086 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.730 5.363 -12.818 1.00 0.00 H new ATOM 558 N GLN A 51 3.240 4.651 -5.660 1.00 0.00 N ATOM 559 CA GLN A 51 3.825 3.680 -4.743 1.00 0.00 C ATOM 560 C GLN A 51 2.740 2.765 -4.193 1.00 0.00 C ATOM 561 O GLN A 51 2.873 1.540 -4.201 1.00 0.00 O ATOM 562 CB GLN A 51 4.545 4.393 -3.597 1.00 0.00 C ATOM 563 CG GLN A 51 5.818 5.103 -4.027 1.00 0.00 C ATOM 564 CD GLN A 51 6.488 5.841 -2.883 1.00 0.00 C ATOM 565 OE1 GLN A 51 7.395 5.316 -2.237 1.00 0.00 O ATOM 566 NE2 GLN A 51 6.042 7.065 -2.626 1.00 0.00 N ATOM 0 H GLN A 51 3.165 5.596 -5.285 1.00 0.00 H new ATOM 0 HA GLN A 51 4.553 3.079 -5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.867 5.120 -3.149 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.788 3.665 -2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.514 4.374 -4.442 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.585 5.810 -4.823 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.288 7.461 -3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.453 7.609 -1.868 1.00 0.00 H new ATOM 575 N ILE A 52 1.656 3.375 -3.728 1.00 0.00 N ATOM 576 CA ILE A 52 0.529 2.623 -3.184 1.00 0.00 C ATOM 577 C ILE A 52 0.001 1.650 -4.230 1.00 0.00 C ATOM 578 O ILE A 52 -0.365 0.517 -3.915 1.00 0.00 O ATOM 579 CB ILE A 52 -0.636 3.536 -2.712 1.00 0.00 C ATOM 580 CG1 ILE A 52 -0.276 5.010 -2.795 1.00 0.00 C ATOM 581 CG2 ILE A 52 -1.017 3.206 -1.291 1.00 0.00 C ATOM 582 CD1 ILE A 52 -1.399 5.933 -2.374 1.00 0.00 C ATOM 0 H ILE A 52 1.533 4.387 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 52 0.904 2.087 -2.312 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.476 3.349 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.594 5.199 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.014 5.248 -3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.834 3.854 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.335 2.165 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.158 3.361 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.070 6.969 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.263 5.773 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.674 5.723 -1.340 1.00 0.00 H new ATOM 594 N LYS A 53 -0.024 2.102 -5.480 1.00 0.00 N ATOM 595 CA LYS A 53 -0.494 1.277 -6.584 1.00 0.00 C ATOM 596 C LYS A 53 0.377 0.035 -6.734 1.00 0.00 C ATOM 597 O LYS A 53 -0.128 -1.086 -6.748 1.00 0.00 O ATOM 598 CB LYS A 53 -0.493 2.075 -7.890 1.00 0.00 C ATOM 599 CG LYS A 53 -1.657 1.738 -8.810 1.00 0.00 C ATOM 600 CD LYS A 53 -1.224 1.692 -10.267 1.00 0.00 C ATOM 601 CE LYS A 53 -2.302 1.086 -11.152 1.00 0.00 C ATOM 602 NZ LYS A 53 -2.812 2.063 -12.153 1.00 0.00 N ATOM 0 H LYS A 53 0.277 3.038 -5.753 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.515 0.965 -6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.522 3.139 -7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.442 1.890 -8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.080 0.775 -8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.445 2.481 -8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.994 2.700 -10.611 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.308 1.108 -10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.900 0.214 -11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.128 0.737 -10.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.545 1.612 -12.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.218 2.884 -11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.029 2.377 -12.762 1.00 0.00 H new ATOM 616 N ASN A 54 1.689 0.236 -6.839 1.00 0.00 N ATOM 617 CA ASN A 54 2.616 -0.886 -6.985 1.00 0.00 C ATOM 618 C ASN A 54 2.375 -1.929 -5.901 1.00 0.00 C ATOM 619 O ASN A 54 2.484 -3.130 -6.147 1.00 0.00 O ATOM 620 CB ASN A 54 4.067 -0.402 -6.919 1.00 0.00 C ATOM 621 CG ASN A 54 4.307 0.841 -7.752 1.00 0.00 C ATOM 622 OD1 ASN A 54 5.105 1.760 -7.222 1.00 0.00 O flip ATOM 623 ND2 ASN A 54 3.783 0.972 -8.859 1.00 0.00 N flip ATOM 0 H ASN A 54 2.132 1.155 -6.826 1.00 0.00 H new ATOM 0 HA ASN A 54 2.438 -1.341 -7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.330 -0.196 -5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.727 -1.198 -7.263 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.176 0.239 -9.226 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.956 1.814 -9.409 1.00 0.00 H new ATOM 630 N LEU A 55 2.041 -1.464 -4.700 1.00 0.00 N ATOM 631 CA LEU A 55 1.783 -2.368 -3.589 1.00 0.00 C ATOM 632 C LEU A 55 0.451 -3.081 -3.770 1.00 0.00 C ATOM 633 O LEU A 55 0.366 -4.298 -3.598 1.00 0.00 O ATOM 634 CB LEU A 55 1.803 -1.607 -2.261 1.00 0.00 C ATOM 635 CG LEU A 55 2.988 -0.657 -2.081 1.00 0.00 C ATOM 636 CD1 LEU A 55 2.587 0.549 -1.246 1.00 0.00 C ATOM 637 CD2 LEU A 55 4.163 -1.385 -1.445 1.00 0.00 C ATOM 0 H LEU A 55 1.944 -0.474 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 55 2.574 -3.118 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.880 -1.034 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.808 -2.330 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 55 3.296 -0.302 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.444 1.212 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.779 1.084 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.250 0.216 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.997 -0.694 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.867 -1.770 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.468 -2.213 -2.085 1.00 0.00 H new ATOM 649 N GLU A 56 -0.583 -2.334 -4.140 1.00 0.00 N ATOM 650 CA GLU A 56 -1.893 -2.932 -4.364 1.00 0.00 C ATOM 651 C GLU A 56 -1.768 -4.032 -5.415 1.00 0.00 C ATOM 652 O GLU A 56 -2.453 -5.052 -5.356 1.00 0.00 O ATOM 653 CB GLU A 56 -2.917 -1.865 -4.786 1.00 0.00 C ATOM 654 CG GLU A 56 -3.045 -1.665 -6.290 1.00 0.00 C ATOM 655 CD GLU A 56 -4.180 -2.471 -6.892 1.00 0.00 C ATOM 656 OE1 GLU A 56 -5.233 -2.595 -6.233 1.00 0.00 O ATOM 657 OE2 GLU A 56 -4.014 -2.978 -8.021 1.00 0.00 O ATOM 0 H GLU A 56 -0.541 -1.326 -4.290 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.255 -3.372 -3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.893 -2.139 -4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.640 -0.915 -4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.205 -0.607 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.109 -1.948 -6.771 1.00 0.00 H new ATOM 664 N ILE A 57 -0.853 -3.816 -6.357 1.00 0.00 N ATOM 665 CA ILE A 57 -0.583 -4.779 -7.409 1.00 0.00 C ATOM 666 C ILE A 57 0.134 -5.993 -6.838 1.00 0.00 C ATOM 667 O ILE A 57 -0.201 -7.134 -7.156 1.00 0.00 O ATOM 668 CB ILE A 57 0.286 -4.153 -8.514 1.00 0.00 C ATOM 669 CG1 ILE A 57 -0.362 -2.871 -9.029 1.00 0.00 C ATOM 670 CG2 ILE A 57 0.507 -5.136 -9.651 1.00 0.00 C ATOM 671 CD1 ILE A 57 0.634 -1.862 -9.549 1.00 0.00 C ATOM 0 H ILE A 57 -0.283 -2.972 -6.408 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.537 -5.085 -7.838 1.00 0.00 H new ATOM 0 HB ILE A 57 1.259 -3.906 -8.090 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.063 -3.122 -9.825 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.941 -2.417 -8.225 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.124 -4.671 -10.420 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.010 -6.025 -9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.455 -5.419 -10.079 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.105 -0.976 -9.899 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.320 -1.583 -8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.197 -2.298 -10.374 1.00 0.00 H new ATOM 683 N SER A 58 1.124 -5.738 -5.983 1.00 0.00 N ATOM 684 CA SER A 58 1.887 -6.814 -5.359 1.00 0.00 C ATOM 685 C SER A 58 0.962 -7.727 -4.560 1.00 0.00 C ATOM 686 O SER A 58 1.036 -8.952 -4.666 1.00 0.00 O ATOM 687 CB SER A 58 2.971 -6.239 -4.448 1.00 0.00 C ATOM 688 OG SER A 58 3.698 -5.215 -5.104 1.00 0.00 O ATOM 0 H SER A 58 1.414 -4.799 -5.709 1.00 0.00 H new ATOM 0 HA SER A 58 2.364 -7.399 -6.145 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.515 -5.842 -3.541 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.652 -7.033 -4.141 1.00 0.00 H new ATOM 0 HG SER A 58 3.181 -4.383 -5.085 1.00 0.00 H new ATOM 694 N ILE A 59 0.088 -7.118 -3.765 1.00 0.00 N ATOM 695 CA ILE A 59 -0.862 -7.868 -2.951 1.00 0.00 C ATOM 696 C ILE A 59 -1.742 -8.752 -3.826 1.00 0.00 C ATOM 697 O ILE A 59 -1.822 -9.968 -3.625 1.00 0.00 O ATOM 698 CB ILE A 59 -1.757 -6.921 -2.123 1.00 0.00 C ATOM 699 CG1 ILE A 59 -0.897 -5.942 -1.321 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.664 -7.715 -1.196 1.00 0.00 C ATOM 701 CD1 ILE A 59 -1.470 -4.541 -1.265 1.00 0.00 C ATOM 0 H ILE A 59 0.018 -6.105 -3.667 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.284 -8.493 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.384 -6.351 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.782 -6.320 -0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.099 -5.901 -1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.287 -7.029 -0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.300 -8.375 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.056 -8.311 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.809 -3.901 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.560 -4.144 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.454 -4.569 -0.798 1.00 0.00 H new ATOM 713 N ASP A 60 -2.401 -8.136 -4.803 1.00 0.00 N ATOM 714 CA ASP A 60 -3.273 -8.866 -5.716 1.00 0.00 C ATOM 715 C ASP A 60 -2.497 -9.963 -6.434 1.00 0.00 C ATOM 716 O ASP A 60 -3.038 -11.030 -6.725 1.00 0.00 O ATOM 717 CB ASP A 60 -3.897 -7.912 -6.734 1.00 0.00 C ATOM 718 CG ASP A 60 -5.150 -7.240 -6.207 1.00 0.00 C ATOM 719 OD1 ASP A 60 -5.332 -7.210 -4.971 1.00 0.00 O ATOM 720 OD2 ASP A 60 -5.950 -6.746 -7.028 1.00 0.00 O ATOM 0 H ASP A 60 -2.347 -7.133 -4.982 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.070 -9.327 -5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.167 -7.150 -7.008 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.139 -8.463 -7.643 1.00 0.00 H new ATOM 725 N ALA A 61 -1.222 -9.701 -6.709 1.00 0.00 N ATOM 726 CA ALA A 61 -0.375 -10.676 -7.382 1.00 0.00 C ATOM 727 C ALA A 61 -0.328 -11.973 -6.583 1.00 0.00 C ATOM 728 O ALA A 61 -0.556 -13.057 -7.122 1.00 0.00 O ATOM 729 CB ALA A 61 1.027 -10.119 -7.578 1.00 0.00 C ATOM 0 H ALA A 61 -0.756 -8.824 -6.476 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.799 -10.887 -8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.646 -10.861 -8.082 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.978 -9.215 -8.185 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.463 -9.882 -6.608 1.00 0.00 H new ATOM 735 N LEU A 62 -0.052 -11.852 -5.288 1.00 0.00 N ATOM 736 CA LEU A 62 0.002 -13.009 -4.413 1.00 0.00 C ATOM 737 C LEU A 62 -1.307 -13.782 -4.480 1.00 0.00 C ATOM 738 O LEU A 62 -1.311 -14.977 -4.764 1.00 0.00 O ATOM 739 CB LEU A 62 0.276 -12.578 -2.972 1.00 0.00 C ATOM 740 CG LEU A 62 1.724 -12.174 -2.697 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.829 -10.674 -2.462 1.00 0.00 C ATOM 742 CD2 LEU A 62 2.280 -12.943 -1.507 1.00 0.00 C ATOM 0 H LEU A 62 0.137 -10.963 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 62 0.814 -13.655 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.375 -11.739 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.007 -13.396 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 62 2.320 -12.425 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.868 -10.408 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.477 -10.142 -3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.217 -10.396 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.312 -12.640 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.680 -12.728 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.247 -14.012 -1.717 1.00 0.00 H new ATOM 754 N MET A 63 -2.415 -13.084 -4.229 1.00 0.00 N ATOM 755 CA MET A 63 -3.741 -13.701 -4.261 1.00 0.00 C ATOM 756 C MET A 63 -3.906 -14.593 -5.486 1.00 0.00 C ATOM 757 O MET A 63 -4.226 -15.775 -5.365 1.00 0.00 O ATOM 758 CB MET A 63 -4.826 -12.622 -4.261 1.00 0.00 C ATOM 759 CG MET A 63 -6.141 -13.081 -3.647 1.00 0.00 C ATOM 760 SD MET A 63 -6.635 -12.082 -2.229 1.00 0.00 S ATOM 761 CE MET A 63 -5.090 -11.985 -1.330 1.00 0.00 C ATOM 0 H MET A 63 -2.420 -12.090 -4.001 1.00 0.00 H new ATOM 0 HA MET A 63 -3.843 -14.319 -3.369 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.462 -11.753 -3.713 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.006 -12.300 -5.287 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.924 -13.041 -4.404 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.049 -14.122 -3.338 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.227 -12.388 -0.327 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.328 -12.563 -1.852 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.773 -10.944 -1.263 1.00 0.00 H new ATOM 771 N ALA A 64 -3.675 -14.025 -6.662 1.00 0.00 N ATOM 772 CA ALA A 64 -3.789 -14.780 -7.902 1.00 0.00 C ATOM 773 C ALA A 64 -2.796 -15.938 -7.920 1.00 0.00 C ATOM 774 O ALA A 64 -3.012 -16.943 -8.597 1.00 0.00 O ATOM 775 CB ALA A 64 -3.564 -13.868 -9.098 1.00 0.00 C ATOM 0 H ALA A 64 -3.409 -13.048 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.796 -15.192 -7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.652 -14.446 -10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.311 -13.074 -9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.568 -13.430 -9.039 1.00 0.00 H new ATOM 781 N LYS A 65 -1.711 -15.793 -7.164 1.00 0.00 N ATOM 782 CA LYS A 65 -0.690 -16.827 -7.085 1.00 0.00 C ATOM 783 C LYS A 65 -1.094 -17.904 -6.089 1.00 0.00 C ATOM 784 O LYS A 65 -0.723 -19.067 -6.225 1.00 0.00 O ATOM 785 CB LYS A 65 0.657 -16.221 -6.678 1.00 0.00 C ATOM 786 CG LYS A 65 1.495 -15.750 -7.855 1.00 0.00 C ATOM 787 CD LYS A 65 2.322 -14.527 -7.494 1.00 0.00 C ATOM 788 CE LYS A 65 3.292 -14.823 -6.362 1.00 0.00 C ATOM 789 NZ LYS A 65 3.843 -13.578 -5.760 1.00 0.00 N ATOM 0 H LYS A 65 -1.518 -14.967 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.590 -17.280 -8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.479 -15.379 -6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.223 -16.962 -6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.155 -16.555 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.843 -15.515 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.876 -14.190 -8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.660 -13.712 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.784 -15.404 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.110 -15.437 -6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.214 -13.786 -4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.610 -13.213 -6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.090 -12.864 -5.688 1.00 0.00 H new ATOM 803 N ILE A 66 -1.855 -17.502 -5.078 1.00 0.00 N ATOM 804 CA ILE A 66 -2.304 -18.425 -4.047 1.00 0.00 C ATOM 805 C ILE A 66 -3.368 -19.372 -4.585 1.00 0.00 C ATOM 806 O ILE A 66 -3.452 -20.529 -4.171 1.00 0.00 O ATOM 807 CB ILE A 66 -2.878 -17.699 -2.813 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.260 -16.313 -2.645 1.00 0.00 C ATOM 809 CG2 ILE A 66 -2.650 -18.530 -1.566 1.00 0.00 C ATOM 810 CD1 ILE A 66 -0.752 -16.319 -2.508 1.00 0.00 C ATOM 0 H ILE A 66 -2.174 -16.541 -4.952 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.420 -18.985 -3.743 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.949 -17.571 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.533 -15.699 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.692 -15.839 -1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.059 -18.008 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.146 -19.494 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.581 -18.686 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.393 -15.296 -2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.468 -16.904 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.307 -16.761 -3.399 1.00 0.00 H new ATOM 822 N LYS A 67 -4.190 -18.868 -5.495 1.00 0.00 N ATOM 823 CA LYS A 67 -5.266 -19.659 -6.078 1.00 0.00 C ATOM 824 C LYS A 67 -4.854 -20.313 -7.398 1.00 0.00 C ATOM 825 O LYS A 67 -5.662 -20.995 -8.030 1.00 0.00 O ATOM 826 CB LYS A 67 -6.503 -18.785 -6.295 1.00 0.00 C ATOM 827 CG LYS A 67 -7.729 -19.265 -5.533 1.00 0.00 C ATOM 828 CD LYS A 67 -7.817 -18.623 -4.158 1.00 0.00 C ATOM 829 CE LYS A 67 -8.789 -19.369 -3.257 1.00 0.00 C ATOM 830 NZ LYS A 67 -10.145 -18.754 -3.274 1.00 0.00 N ATOM 0 H LYS A 67 -4.132 -17.912 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.498 -20.458 -5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.274 -17.764 -5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.735 -18.757 -7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.628 -19.031 -6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.692 -20.349 -5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.829 -18.610 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.136 -17.586 -4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.858 -20.408 -3.579 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.406 -19.376 -2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.778 -19.291 -2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.084 -17.770 -2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.522 -18.771 -4.243 1.00 0.00 H new ATOM 844 N SER A 68 -3.609 -20.108 -7.821 1.00 0.00 N ATOM 845 CA SER A 68 -3.139 -20.693 -9.075 1.00 0.00 C ATOM 846 C SER A 68 -1.719 -21.235 -8.956 1.00 0.00 C ATOM 847 O SER A 68 -1.025 -21.403 -9.960 1.00 0.00 O ATOM 848 CB SER A 68 -3.212 -19.665 -10.203 1.00 0.00 C ATOM 849 OG SER A 68 -4.556 -19.366 -10.537 1.00 0.00 O ATOM 0 H SER A 68 -2.916 -19.550 -7.323 1.00 0.00 H new ATOM 0 HA SER A 68 -3.796 -21.532 -9.306 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.698 -18.753 -9.901 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.693 -20.048 -11.082 1.00 0.00 H new ATOM 0 HG SER A 68 -4.574 -18.705 -11.260 1.00 0.00 H new ATOM 855 N THR A 69 -1.296 -21.522 -7.732 1.00 0.00 N ATOM 856 CA THR A 69 0.042 -22.062 -7.487 1.00 0.00 C ATOM 857 C THR A 69 0.107 -22.746 -6.126 1.00 0.00 C ATOM 858 O THR A 69 -0.879 -22.783 -5.390 1.00 0.00 O ATOM 859 CB THR A 69 1.117 -20.966 -7.563 1.00 0.00 C ATOM 860 OG1 THR A 69 1.304 -20.354 -6.299 1.00 0.00 O ATOM 861 CG2 THR A 69 0.813 -19.866 -8.561 1.00 0.00 C ATOM 0 H THR A 69 -1.858 -21.391 -6.891 1.00 0.00 H new ATOM 0 HA THR A 69 0.241 -22.795 -8.269 1.00 0.00 H new ATOM 0 HB THR A 69 2.016 -21.486 -7.895 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.434 -20.097 -5.928 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.620 -19.134 -8.552 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.723 -20.295 -9.559 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.123 -19.377 -8.290 1.00 0.00 H new ATOM 869 N MET A 70 1.278 -23.283 -5.799 1.00 0.00 N ATOM 870 CA MET A 70 1.480 -23.963 -4.524 1.00 0.00 C ATOM 871 C MET A 70 2.501 -23.214 -3.673 1.00 0.00 C ATOM 872 O MET A 70 3.310 -23.826 -2.974 1.00 0.00 O ATOM 873 CB MET A 70 1.941 -25.403 -4.757 1.00 0.00 C ATOM 874 CG MET A 70 1.105 -26.435 -4.020 1.00 0.00 C ATOM 875 SD MET A 70 1.862 -26.963 -2.470 1.00 0.00 S ATOM 876 CE MET A 70 1.426 -28.699 -2.456 1.00 0.00 C ATOM 0 H MET A 70 2.102 -23.261 -6.400 1.00 0.00 H new ATOM 0 HA MET A 70 0.530 -23.981 -3.989 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.909 -25.618 -5.825 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.981 -25.498 -4.443 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.119 -26.019 -3.815 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.957 -27.303 -4.662 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.824 -29.167 -1.556 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.341 -28.802 -2.469 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.847 -29.187 -3.335 1.00 0.00 H new ATOM 886 N MET A 71 2.457 -21.888 -3.740 1.00 0.00 N ATOM 887 CA MET A 71 3.376 -21.050 -2.979 1.00 0.00 C ATOM 888 C MET A 71 3.301 -21.365 -1.488 1.00 0.00 C ATOM 889 O MET A 71 2.238 -21.702 -0.968 1.00 0.00 O ATOM 890 CB MET A 71 3.065 -19.572 -3.215 1.00 0.00 C ATOM 891 CG MET A 71 3.848 -18.962 -4.366 1.00 0.00 C ATOM 892 SD MET A 71 5.493 -18.418 -3.873 1.00 0.00 S ATOM 893 CE MET A 71 5.119 -16.824 -3.147 1.00 0.00 C ATOM 0 H MET A 71 1.793 -21.369 -4.315 1.00 0.00 H new ATOM 0 HA MET A 71 4.388 -21.263 -3.324 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.999 -19.461 -3.412 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.280 -19.014 -2.304 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.937 -19.694 -5.169 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.294 -18.114 -4.768 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.044 -16.270 -2.988 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.470 -16.262 -3.818 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.615 -16.969 -2.192 1.00 0.00 H new ATOM 903 N THR A 72 4.436 -21.253 -0.809 1.00 0.00 N ATOM 904 CA THR A 72 4.501 -21.523 0.622 1.00 0.00 C ATOM 905 C THR A 72 4.107 -20.288 1.423 1.00 0.00 C ATOM 906 O THR A 72 4.440 -19.164 1.051 1.00 0.00 O ATOM 907 CB THR A 72 5.909 -21.969 1.015 1.00 0.00 C ATOM 908 OG1 THR A 72 6.513 -22.708 -0.034 1.00 0.00 O ATOM 909 CG2 THR A 72 5.940 -22.828 2.260 1.00 0.00 C ATOM 0 H THR A 72 5.325 -20.977 -1.227 1.00 0.00 H new ATOM 0 HA THR A 72 3.797 -22.324 0.848 1.00 0.00 H new ATOM 0 HB THR A 72 6.457 -21.049 1.216 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.414 -22.983 0.236 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.969 -23.109 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.528 -22.268 3.099 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.345 -23.727 2.097 1.00 0.00 H new ATOM 917 N ARG A 73 3.398 -20.502 2.527 1.00 0.00 N ATOM 918 CA ARG A 73 2.964 -19.401 3.380 1.00 0.00 C ATOM 919 C ARG A 73 4.155 -18.549 3.809 1.00 0.00 C ATOM 920 O ARG A 73 4.021 -17.346 4.033 1.00 0.00 O ATOM 921 CB ARG A 73 2.232 -19.936 4.613 1.00 0.00 C ATOM 922 CG ARG A 73 0.981 -20.735 4.279 1.00 0.00 C ATOM 923 CD ARG A 73 1.220 -22.231 4.412 1.00 0.00 C ATOM 924 NE ARG A 73 0.843 -22.731 5.733 1.00 0.00 N ATOM 925 CZ ARG A 73 -0.412 -22.982 6.098 1.00 0.00 C ATOM 926 NH1 ARG A 73 -1.412 -22.781 5.249 1.00 0.00 N ATOM 927 NH2 ARG A 73 -0.669 -23.438 7.318 1.00 0.00 N ATOM 0 H ARG A 73 3.112 -21.426 2.851 1.00 0.00 H new ATOM 0 HA ARG A 73 2.279 -18.777 2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.913 -20.566 5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.958 -19.098 5.254 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.169 -20.435 4.942 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.663 -20.506 3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.649 -22.759 3.648 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.273 -22.448 4.229 1.00 0.00 H new ATOM 0 HE ARG A 73 1.584 -22.897 6.414 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.221 -22.432 4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.371 -22.976 5.536 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.095 -23.596 7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.631 -23.631 7.598 1.00 0.00 H new ATOM 941 N GLU A 74 5.321 -19.180 3.916 1.00 0.00 N ATOM 942 CA GLU A 74 6.536 -18.478 4.311 1.00 0.00 C ATOM 943 C GLU A 74 6.853 -17.362 3.320 1.00 0.00 C ATOM 944 O GLU A 74 7.150 -16.235 3.713 1.00 0.00 O ATOM 945 CB GLU A 74 7.713 -19.452 4.396 1.00 0.00 C ATOM 946 CG GLU A 74 7.904 -20.055 5.777 1.00 0.00 C ATOM 947 CD GLU A 74 7.290 -21.437 5.901 1.00 0.00 C ATOM 948 OE1 GLU A 74 6.047 -21.530 5.970 1.00 0.00 O ATOM 949 OE2 GLU A 74 8.054 -22.425 5.928 1.00 0.00 O ATOM 0 H GLU A 74 5.449 -20.176 3.735 1.00 0.00 H new ATOM 0 HA GLU A 74 6.373 -18.038 5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.562 -20.256 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.626 -18.932 4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.969 -20.114 5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.459 -19.396 6.522 1.00 0.00 H new ATOM 956 N GLN A 75 6.777 -17.685 2.032 1.00 0.00 N ATOM 957 CA GLN A 75 7.046 -16.708 0.986 1.00 0.00 C ATOM 958 C GLN A 75 6.055 -15.553 1.069 1.00 0.00 C ATOM 959 O GLN A 75 6.397 -14.404 0.789 1.00 0.00 O ATOM 960 CB GLN A 75 6.971 -17.369 -0.394 1.00 0.00 C ATOM 961 CG GLN A 75 8.326 -17.772 -0.948 1.00 0.00 C ATOM 962 CD GLN A 75 8.786 -19.126 -0.443 1.00 0.00 C ATOM 963 OE1 GLN A 75 8.996 -19.315 0.755 1.00 0.00 O ATOM 964 NE2 GLN A 75 8.942 -20.077 -1.355 1.00 0.00 N ATOM 0 H GLN A 75 6.532 -18.614 1.690 1.00 0.00 H new ATOM 0 HA GLN A 75 8.052 -16.316 1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.336 -18.253 -0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.492 -16.682 -1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.277 -17.792 -2.037 1.00 0.00 H new ATOM 0 HG3 GLN A 75 9.064 -17.017 -0.676 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.757 -19.876 -2.338 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.247 -21.009 -1.073 1.00 0.00 H new ATOM 973 N ILE A 76 4.826 -15.870 1.465 1.00 0.00 N ATOM 974 CA ILE A 76 3.781 -14.861 1.597 1.00 0.00 C ATOM 975 C ILE A 76 4.058 -13.949 2.784 1.00 0.00 C ATOM 976 O ILE A 76 3.747 -12.757 2.753 1.00 0.00 O ATOM 977 CB ILE A 76 2.392 -15.507 1.772 1.00 0.00 C ATOM 978 CG1 ILE A 76 2.153 -16.562 0.691 1.00 0.00 C ATOM 979 CG2 ILE A 76 1.303 -14.446 1.738 1.00 0.00 C ATOM 980 CD1 ILE A 76 2.087 -15.989 -0.710 1.00 0.00 C ATOM 0 H ILE A 76 4.530 -16.817 1.700 1.00 0.00 H new ATOM 0 HA ILE A 76 3.784 -14.275 0.678 1.00 0.00 H new ATOM 0 HB ILE A 76 2.359 -15.999 2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.952 -17.303 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.221 -17.085 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.329 -14.920 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.465 -13.732 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.333 -13.925 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.916 -16.794 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.270 -15.270 -0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.028 -15.490 -0.944 1.00 0.00 H new ATOM 992 N GLN A 77 4.647 -14.518 3.831 1.00 0.00 N ATOM 993 CA GLN A 77 4.972 -13.760 5.033 1.00 0.00 C ATOM 994 C GLN A 77 6.045 -12.718 4.744 1.00 0.00 C ATOM 995 O GLN A 77 5.957 -11.579 5.204 1.00 0.00 O ATOM 996 CB GLN A 77 5.443 -14.703 6.142 1.00 0.00 C ATOM 997 CG GLN A 77 5.147 -14.190 7.542 1.00 0.00 C ATOM 998 CD GLN A 77 3.782 -14.618 8.043 1.00 0.00 C ATOM 999 OE1 GLN A 77 3.325 -15.725 7.761 1.00 0.00 O ATOM 1000 NE2 GLN A 77 3.123 -13.739 8.789 1.00 0.00 N ATOM 0 H GLN A 77 4.909 -15.503 3.871 1.00 0.00 H new ATOM 0 HA GLN A 77 4.071 -13.244 5.364 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.964 -15.673 6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.517 -14.861 6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.912 -14.554 8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.207 -13.102 7.546 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.541 -12.832 8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.199 -13.971 9.153 1.00 0.00 H new ATOM 1009 N LYS A 78 7.059 -13.110 3.981 1.00 0.00 N ATOM 1010 CA LYS A 78 8.146 -12.203 3.636 1.00 0.00 C ATOM 1011 C LYS A 78 7.651 -11.093 2.724 1.00 0.00 C ATOM 1012 O LYS A 78 7.868 -9.913 3.000 1.00 0.00 O ATOM 1013 CB LYS A 78 9.296 -12.966 2.973 1.00 0.00 C ATOM 1014 CG LYS A 78 10.517 -13.117 3.863 1.00 0.00 C ATOM 1015 CD LYS A 78 11.188 -11.777 4.118 1.00 0.00 C ATOM 1016 CE LYS A 78 12.565 -11.952 4.739 1.00 0.00 C ATOM 1017 NZ LYS A 78 13.549 -10.975 4.196 1.00 0.00 N ATOM 0 H LYS A 78 7.151 -14.048 3.591 1.00 0.00 H new ATOM 0 HA LYS A 78 8.517 -11.752 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.944 -13.956 2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.585 -12.448 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.224 -13.565 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.228 -13.798 3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.278 -11.230 3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.563 -11.176 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.493 -11.832 5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.920 -12.966 4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.474 -11.128 4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.637 -11.106 3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.224 -10.007 4.395 1.00 0.00 H new ATOM 1031 N GLU A 79 6.965 -11.463 1.649 1.00 0.00 N ATOM 1032 CA GLU A 79 6.429 -10.467 0.731 1.00 0.00 C ATOM 1033 C GLU A 79 5.538 -9.511 1.505 1.00 0.00 C ATOM 1034 O GLU A 79 5.499 -8.313 1.228 1.00 0.00 O ATOM 1035 CB GLU A 79 5.648 -11.132 -0.404 1.00 0.00 C ATOM 1036 CG GLU A 79 6.490 -12.067 -1.258 1.00 0.00 C ATOM 1037 CD GLU A 79 5.652 -13.077 -2.016 1.00 0.00 C ATOM 1038 OE1 GLU A 79 5.131 -12.727 -3.096 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.519 -14.221 -1.532 1.00 0.00 O ATOM 0 H GLU A 79 6.769 -12.431 1.394 1.00 0.00 H new ATOM 0 HA GLU A 79 7.254 -9.914 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.815 -11.693 0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.220 -10.358 -1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.073 -11.479 -1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.200 -12.594 -0.621 1.00 0.00 H new ATOM 1046 N TYR A 80 4.858 -10.050 2.513 1.00 0.00 N ATOM 1047 CA TYR A 80 4.011 -9.240 3.364 1.00 0.00 C ATOM 1048 C TYR A 80 4.890 -8.250 4.114 1.00 0.00 C ATOM 1049 O TYR A 80 4.504 -7.102 4.338 1.00 0.00 O ATOM 1050 CB TYR A 80 3.233 -10.114 4.349 1.00 0.00 C ATOM 1051 CG TYR A 80 2.381 -9.325 5.320 1.00 0.00 C ATOM 1052 CD1 TYR A 80 1.069 -8.995 5.013 1.00 0.00 C ATOM 1053 CD2 TYR A 80 2.892 -8.914 6.545 1.00 0.00 C ATOM 1054 CE1 TYR A 80 0.289 -8.275 5.898 1.00 0.00 C ATOM 1055 CE2 TYR A 80 2.118 -8.195 7.435 1.00 0.00 C ATOM 1056 CZ TYR A 80 0.818 -7.877 7.107 1.00 0.00 C ATOM 1057 OH TYR A 80 0.043 -7.160 7.991 1.00 0.00 O ATOM 0 H TYR A 80 4.881 -11.041 2.755 1.00 0.00 H new ATOM 0 HA TYR A 80 3.284 -8.706 2.753 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.593 -10.796 3.789 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.937 -10.727 4.912 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.650 -9.306 4.067 1.00 0.00 H new ATOM 0 HD2 TYR A 80 3.911 -9.161 6.805 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.730 -8.025 5.643 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.530 -7.884 8.384 1.00 0.00 H new ATOM 0 HH TYR A 80 0.565 -6.959 8.795 1.00 0.00 H new ATOM 1067 N ASP A 81 6.094 -8.700 4.475 1.00 0.00 N ATOM 1068 CA ASP A 81 7.044 -7.848 5.171 1.00 0.00 C ATOM 1069 C ASP A 81 7.557 -6.767 4.232 1.00 0.00 C ATOM 1070 O ASP A 81 7.752 -5.622 4.641 1.00 0.00 O ATOM 1071 CB ASP A 81 8.210 -8.675 5.716 1.00 0.00 C ATOM 1072 CG ASP A 81 7.750 -9.811 6.609 1.00 0.00 C ATOM 1073 OD1 ASP A 81 6.580 -9.786 7.046 1.00 0.00 O ATOM 1074 OD2 ASP A 81 8.560 -10.727 6.870 1.00 0.00 O ATOM 0 H ASP A 81 6.428 -9.647 4.295 1.00 0.00 H new ATOM 0 HA ASP A 81 6.537 -7.375 6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.783 -9.082 4.883 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.881 -8.025 6.277 1.00 0.00 H new ATOM 1079 N ALA A 82 7.759 -7.126 2.963 1.00 0.00 N ATOM 1080 CA ALA A 82 8.228 -6.162 1.978 1.00 0.00 C ATOM 1081 C ALA A 82 7.239 -5.011 1.880 1.00 0.00 C ATOM 1082 O ALA A 82 7.621 -3.850 1.732 1.00 0.00 O ATOM 1083 CB ALA A 82 8.416 -6.828 0.624 1.00 0.00 C ATOM 0 H ALA A 82 7.606 -8.067 2.600 1.00 0.00 H new ATOM 0 HA ALA A 82 9.195 -5.771 2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.767 -6.091 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.150 -7.629 0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.466 -7.242 0.287 1.00 0.00 H new ATOM 1089 N LEU A 83 5.958 -5.349 1.987 1.00 0.00 N ATOM 1090 CA LEU A 83 4.899 -4.355 1.936 1.00 0.00 C ATOM 1091 C LEU A 83 4.837 -3.588 3.251 1.00 0.00 C ATOM 1092 O LEU A 83 4.478 -2.411 3.277 1.00 0.00 O ATOM 1093 CB LEU A 83 3.553 -5.024 1.651 1.00 0.00 C ATOM 1094 CG LEU A 83 3.430 -5.672 0.271 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.331 -6.721 0.269 1.00 0.00 C ATOM 1096 CD2 LEU A 83 3.163 -4.615 -0.791 1.00 0.00 C ATOM 0 H LEU A 83 5.631 -6.307 2.110 1.00 0.00 H new ATOM 0 HA LEU A 83 5.116 -3.655 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.375 -5.786 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.765 -4.279 1.757 1.00 0.00 H new ATOM 0 HG LEU A 83 4.373 -6.165 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.259 -7.171 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.564 -7.493 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.381 -6.253 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.078 -5.093 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.234 -4.094 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.985 -3.900 -0.808 1.00 0.00 H new ATOM 1108 N VAL A 84 5.200 -4.260 4.344 1.00 0.00 N ATOM 1109 CA VAL A 84 5.197 -3.633 5.657 1.00 0.00 C ATOM 1110 C VAL A 84 6.297 -2.582 5.750 1.00 0.00 C ATOM 1111 O VAL A 84 6.130 -1.551 6.401 1.00 0.00 O ATOM 1112 CB VAL A 84 5.387 -4.672 6.782 1.00 0.00 C ATOM 1113 CG1 VAL A 84 5.379 -3.998 8.147 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.311 -5.746 6.705 1.00 0.00 C ATOM 0 H VAL A 84 5.498 -5.235 4.342 1.00 0.00 H new ATOM 0 HA VAL A 84 4.225 -3.157 5.786 1.00 0.00 H new ATOM 0 HB VAL A 84 6.358 -5.149 6.646 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.514 -4.750 8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.190 -3.272 8.199 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.427 -3.489 8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.461 -6.470 7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.329 -5.285 6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.371 -6.253 5.742 1.00 0.00 H new ATOM 1124 N LYS A 85 7.419 -2.849 5.086 1.00 0.00 N ATOM 1125 CA LYS A 85 8.544 -1.922 5.087 1.00 0.00 C ATOM 1126 C LYS A 85 8.224 -0.695 4.242 1.00 0.00 C ATOM 1127 O LYS A 85 8.408 0.442 4.678 1.00 0.00 O ATOM 1128 CB LYS A 85 9.802 -2.614 4.557 1.00 0.00 C ATOM 1129 CG LYS A 85 11.011 -2.459 5.466 1.00 0.00 C ATOM 1130 CD LYS A 85 11.818 -1.221 5.113 1.00 0.00 C ATOM 1131 CE LYS A 85 13.309 -1.465 5.269 1.00 0.00 C ATOM 1132 NZ LYS A 85 13.745 -1.351 6.688 1.00 0.00 N ATOM 0 H LYS A 85 7.572 -3.698 4.542 1.00 0.00 H new ATOM 0 HA LYS A 85 8.726 -1.600 6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.593 -3.675 4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.043 -2.209 3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.682 -2.397 6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.644 -3.343 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.602 -0.925 4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.515 -0.393 5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.556 -2.458 4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.860 -0.747 4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.768 -1.524 6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.533 -0.396 7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.238 -2.053 7.264 1.00 0.00 H new ATOM 1146 N SER A 86 7.738 -0.935 3.032 1.00 0.00 N ATOM 1147 CA SER A 86 7.382 0.147 2.123 1.00 0.00 C ATOM 1148 C SER A 86 6.171 0.910 2.647 1.00 0.00 C ATOM 1149 O SER A 86 6.083 2.130 2.511 1.00 0.00 O ATOM 1150 CB SER A 86 7.091 -0.403 0.726 1.00 0.00 C ATOM 1151 OG SER A 86 8.249 -0.365 -0.089 1.00 0.00 O ATOM 0 H SER A 86 7.581 -1.870 2.656 1.00 0.00 H new ATOM 0 HA SER A 86 8.227 0.833 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.731 -1.429 0.804 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.296 0.180 0.261 1.00 0.00 H new ATOM 0 HG SER A 86 8.037 -0.724 -0.976 1.00 0.00 H new ATOM 1157 N SER A 87 5.238 0.178 3.250 1.00 0.00 N ATOM 1158 CA SER A 87 4.031 0.783 3.797 1.00 0.00 C ATOM 1159 C SER A 87 4.366 1.689 4.977 1.00 0.00 C ATOM 1160 O SER A 87 3.938 2.841 5.023 1.00 0.00 O ATOM 1161 CB SER A 87 3.045 -0.301 4.237 1.00 0.00 C ATOM 1162 OG SER A 87 1.861 0.271 4.767 1.00 0.00 O ATOM 0 H SER A 87 5.296 -0.833 3.371 1.00 0.00 H new ATOM 0 HA SER A 87 3.571 1.387 3.015 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.797 -0.937 3.388 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.512 -0.939 4.987 1.00 0.00 H new ATOM 0 HG SER A 87 1.158 0.258 4.085 1.00 0.00 H new ATOM 1168 N GLU A 88 5.137 1.164 5.925 1.00 0.00 N ATOM 1169 CA GLU A 88 5.528 1.935 7.101 1.00 0.00 C ATOM 1170 C GLU A 88 6.284 3.194 6.687 1.00 0.00 C ATOM 1171 O GLU A 88 6.142 4.248 7.307 1.00 0.00 O ATOM 1172 CB GLU A 88 6.385 1.086 8.042 1.00 0.00 C ATOM 1173 CG GLU A 88 7.764 0.753 7.492 1.00 0.00 C ATOM 1174 CD GLU A 88 8.694 0.193 8.551 1.00 0.00 C ATOM 1175 OE1 GLU A 88 8.493 -0.968 8.965 1.00 0.00 O ATOM 1176 OE2 GLU A 88 9.623 0.916 8.967 1.00 0.00 O ATOM 0 H GLU A 88 5.502 0.212 5.902 1.00 0.00 H new ATOM 0 HA GLU A 88 4.623 2.231 7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.500 1.615 8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.857 0.157 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.663 0.030 6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.207 1.652 7.063 1.00 0.00 H new ATOM 1183 N ASP A 89 7.081 3.076 5.631 1.00 0.00 N ATOM 1184 CA ASP A 89 7.853 4.204 5.128 1.00 0.00 C ATOM 1185 C ASP A 89 6.938 5.240 4.484 1.00 0.00 C ATOM 1186 O ASP A 89 7.221 6.437 4.514 1.00 0.00 O ATOM 1187 CB ASP A 89 8.895 3.725 4.114 1.00 0.00 C ATOM 1188 CG ASP A 89 10.216 3.369 4.767 1.00 0.00 C ATOM 1189 OD1 ASP A 89 10.202 2.616 5.763 1.00 0.00 O ATOM 1190 OD2 ASP A 89 11.265 3.842 4.282 1.00 0.00 O ATOM 0 H ASP A 89 7.209 2.210 5.107 1.00 0.00 H new ATOM 0 HA ASP A 89 8.365 4.669 5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.509 2.854 3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.059 4.504 3.370 1.00 0.00 H new ATOM 1195 N LEU A 90 5.839 4.769 3.901 1.00 0.00 N ATOM 1196 CA LEU A 90 4.881 5.655 3.248 1.00 0.00 C ATOM 1197 C LEU A 90 4.196 6.563 4.264 1.00 0.00 C ATOM 1198 O LEU A 90 4.125 7.778 4.077 1.00 0.00 O ATOM 1199 CB LEU A 90 3.838 4.838 2.484 1.00 0.00 C ATOM 1200 CG LEU A 90 2.699 5.652 1.864 1.00 0.00 C ATOM 1201 CD1 LEU A 90 2.278 5.053 0.531 1.00 0.00 C ATOM 1202 CD2 LEU A 90 1.516 5.721 2.817 1.00 0.00 C ATOM 0 H LEU A 90 5.590 3.780 3.868 1.00 0.00 H new ATOM 0 HA LEU A 90 5.426 6.282 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.342 4.286 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.409 4.101 3.163 1.00 0.00 H new ATOM 0 HG LEU A 90 3.057 6.666 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.468 5.645 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.127 5.055 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.938 4.029 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.715 6.303 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.158 4.713 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.826 6.197 3.748 1.00 0.00 H new ATOM 1214 N LEU A 91 3.700 5.969 5.343 1.00 0.00 N ATOM 1215 CA LEU A 91 3.029 6.734 6.390 1.00 0.00 C ATOM 1216 C LEU A 91 3.992 7.748 6.986 1.00 0.00 C ATOM 1217 O LEU A 91 3.672 8.929 7.117 1.00 0.00 O ATOM 1218 CB LEU A 91 2.502 5.816 7.494 1.00 0.00 C ATOM 1219 CG LEU A 91 1.966 4.472 7.014 1.00 0.00 C ATOM 1220 CD1 LEU A 91 1.595 3.590 8.196 1.00 0.00 C ATOM 1221 CD2 LEU A 91 0.768 4.671 6.098 1.00 0.00 C ATOM 0 H LEU A 91 3.749 4.965 5.517 1.00 0.00 H new ATOM 0 HA LEU A 91 2.181 7.252 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.304 5.635 8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.708 6.336 8.030 1.00 0.00 H new ATOM 0 HG LEU A 91 2.752 3.972 6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.215 2.635 7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.477 3.418 8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.827 4.084 8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.399 3.701 5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.021 5.193 6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.066 5.262 5.232 1.00 0.00 H new ATOM 1233 N SER A 92 5.178 7.270 7.337 1.00 0.00 N ATOM 1234 CA SER A 92 6.208 8.127 7.913 1.00 0.00 C ATOM 1235 C SER A 92 6.506 9.304 6.991 1.00 0.00 C ATOM 1236 O SER A 92 6.644 10.441 7.442 1.00 0.00 O ATOM 1237 CB SER A 92 7.488 7.325 8.166 1.00 0.00 C ATOM 1238 OG SER A 92 7.441 6.675 9.425 1.00 0.00 O ATOM 0 H SER A 92 5.452 6.293 7.233 1.00 0.00 H new ATOM 0 HA SER A 92 5.838 8.513 8.863 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.620 6.586 7.376 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.351 7.990 8.128 1.00 0.00 H new ATOM 0 HG SER A 92 8.268 6.168 9.563 1.00 0.00 H new ATOM 1244 N ALA A 93 6.594 9.021 5.695 1.00 0.00 N ATOM 1245 CA ALA A 93 6.866 10.057 4.707 1.00 0.00 C ATOM 1246 C ALA A 93 5.746 11.090 4.688 1.00 0.00 C ATOM 1247 O ALA A 93 5.992 12.292 4.800 1.00 0.00 O ATOM 1248 CB ALA A 93 7.042 9.437 3.328 1.00 0.00 C ATOM 0 H ALA A 93 6.481 8.085 5.306 1.00 0.00 H new ATOM 0 HA ALA A 93 7.791 10.563 4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.245 10.222 2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.877 8.736 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.131 8.908 3.048 1.00 0.00 H new ATOM 1254 N LEU A 94 4.513 10.612 4.552 1.00 0.00 N ATOM 1255 CA LEU A 94 3.352 11.490 4.524 1.00 0.00 C ATOM 1256 C LEU A 94 3.283 12.335 5.791 1.00 0.00 C ATOM 1257 O LEU A 94 3.003 13.533 5.737 1.00 0.00 O ATOM 1258 CB LEU A 94 2.069 10.669 4.368 1.00 0.00 C ATOM 1259 CG LEU A 94 1.469 10.667 2.962 1.00 0.00 C ATOM 1260 CD1 LEU A 94 2.400 9.968 1.985 1.00 0.00 C ATOM 1261 CD2 LEU A 94 0.101 10.001 2.970 1.00 0.00 C ATOM 0 H LEU A 94 4.294 9.620 4.459 1.00 0.00 H new ATOM 0 HA LEU A 94 3.450 12.159 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.277 9.639 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.323 11.053 5.064 1.00 0.00 H new ATOM 0 HG LEU A 94 1.347 11.700 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.956 9.977 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.358 10.488 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.555 8.937 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.313 10.008 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.199 8.972 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.565 10.546 3.639 1.00 0.00 H new ATOM 1273 N GLN A 95 3.547 11.703 6.931 1.00 0.00 N ATOM 1274 CA GLN A 95 3.521 12.398 8.213 1.00 0.00 C ATOM 1275 C GLN A 95 4.455 13.600 8.190 1.00 0.00 C ATOM 1276 O GLN A 95 4.098 14.685 8.647 1.00 0.00 O ATOM 1277 CB GLN A 95 3.913 11.444 9.345 1.00 0.00 C ATOM 1278 CG GLN A 95 2.723 10.833 10.064 1.00 0.00 C ATOM 1279 CD GLN A 95 2.338 9.475 9.508 1.00 0.00 C ATOM 1280 OE1 GLN A 95 1.525 9.474 8.459 1.00 0.00 O flip ATOM 1281 NE2 GLN A 95 2.767 8.439 10.016 1.00 0.00 N flip ATOM 0 H GLN A 95 3.781 10.712 6.993 1.00 0.00 H new ATOM 0 HA GLN A 95 2.506 12.753 8.390 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.531 10.644 8.937 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.526 11.983 10.067 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.956 10.734 11.124 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.871 11.508 9.986 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.390 8.486 10.822 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.499 7.533 9.631 1.00 0.00 H new ATOM 1290 N LYS A 96 5.647 13.407 7.641 1.00 0.00 N ATOM 1291 CA LYS A 96 6.617 14.486 7.544 1.00 0.00 C ATOM 1292 C LYS A 96 6.103 15.560 6.590 1.00 0.00 C ATOM 1293 O LYS A 96 6.419 16.743 6.735 1.00 0.00 O ATOM 1294 CB LYS A 96 7.967 13.954 7.057 1.00 0.00 C ATOM 1295 CG LYS A 96 8.571 12.902 7.973 1.00 0.00 C ATOM 1296 CD LYS A 96 10.089 13.012 8.027 1.00 0.00 C ATOM 1297 CE LYS A 96 10.762 11.739 7.536 1.00 0.00 C ATOM 1298 NZ LYS A 96 11.942 11.379 8.367 1.00 0.00 N ATOM 0 H LYS A 96 5.963 12.516 7.258 1.00 0.00 H new ATOM 0 HA LYS A 96 6.755 14.921 8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.843 13.529 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.664 14.787 6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.161 13.014 8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.290 11.909 7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.415 13.855 7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.403 13.219 9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.044 10.919 7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.074 11.870 6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.372 10.506 8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.639 12.150 8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.641 11.229 9.351 1.00 0.00 H new ATOM 1312 N LYS A 97 5.306 15.134 5.614 1.00 0.00 N ATOM 1313 CA LYS A 97 4.741 16.048 4.628 1.00 0.00 C ATOM 1314 C LYS A 97 3.667 16.937 5.243 1.00 0.00 C ATOM 1315 O LYS A 97 3.722 18.163 5.121 1.00 0.00 O ATOM 1316 CB LYS A 97 4.153 15.262 3.455 1.00 0.00 C ATOM 1317 CG LYS A 97 5.160 14.354 2.766 1.00 0.00 C ATOM 1318 CD LYS A 97 5.024 14.414 1.253 1.00 0.00 C ATOM 1319 CE LYS A 97 5.140 13.034 0.627 1.00 0.00 C ATOM 1320 NZ LYS A 97 5.208 13.103 -0.859 1.00 0.00 N ATOM 0 H LYS A 97 5.037 14.159 5.485 1.00 0.00 H new ATOM 0 HA LYS A 97 5.547 16.688 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.319 14.659 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.749 15.963 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.170 14.646 3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.017 13.328 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.062 14.854 0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.795 15.066 0.843 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.031 12.536 1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.284 12.428 0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.308 12.775 -1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.383 14.085 -1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.981 12.497 -1.200 1.00 0.00 H new ATOM 1334 N LYS A 98 2.684 16.323 5.893 1.00 0.00 N ATOM 1335 CA LYS A 98 1.599 17.081 6.511 1.00 0.00 C ATOM 1336 C LYS A 98 2.129 18.024 7.585 1.00 0.00 C ATOM 1337 O LYS A 98 1.738 19.190 7.642 1.00 0.00 O ATOM 1338 CB LYS A 98 0.538 16.154 7.104 1.00 0.00 C ATOM 1339 CG LYS A 98 1.099 14.959 7.856 1.00 0.00 C ATOM 1340 CD LYS A 98 0.441 13.666 7.402 1.00 0.00 C ATOM 1341 CE LYS A 98 -0.053 12.845 8.584 1.00 0.00 C ATOM 1342 NZ LYS A 98 -1.399 13.288 9.041 1.00 0.00 N ATOM 0 H LYS A 98 2.615 15.312 6.006 1.00 0.00 H new ATOM 0 HA LYS A 98 1.134 17.676 5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.093 16.730 7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.103 15.793 6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.175 14.898 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.943 15.093 8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.396 13.895 6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.153 13.079 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.092 11.792 8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.656 12.930 9.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.701 12.705 9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.356 14.286 9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.081 13.183 8.263 1.00 0.00 H new ATOM 1356 N GLN A 99 3.016 17.518 8.436 1.00 0.00 N ATOM 1357 CA GLN A 99 3.589 18.330 9.502 1.00 0.00 C ATOM 1358 C GLN A 99 4.321 19.539 8.925 1.00 0.00 C ATOM 1359 O GLN A 99 4.196 20.653 9.435 1.00 0.00 O ATOM 1360 CB GLN A 99 4.540 17.495 10.367 1.00 0.00 C ATOM 1361 CG GLN A 99 5.844 17.129 9.677 1.00 0.00 C ATOM 1362 CD GLN A 99 6.800 16.393 10.595 1.00 0.00 C ATOM 1363 OE1 GLN A 99 6.726 15.173 10.741 1.00 0.00 O ATOM 1364 NE2 GLN A 99 7.707 17.135 11.222 1.00 0.00 N ATOM 0 H GLN A 99 3.352 16.555 8.408 1.00 0.00 H new ATOM 0 HA GLN A 99 2.774 18.688 10.131 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.766 18.049 11.278 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.031 16.579 10.668 1.00 0.00 H new ATOM 0 HG2 GLN A 99 5.629 16.508 8.808 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.324 18.036 9.310 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.733 18.144 11.072 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.377 16.696 11.853 1.00 0.00 H new ATOM 1373 N GLN A 100 5.075 19.316 7.851 1.00 0.00 N ATOM 1374 CA GLN A 100 5.815 20.392 7.202 1.00 0.00 C ATOM 1375 C GLN A 100 4.858 21.355 6.507 1.00 0.00 C ATOM 1376 O GLN A 100 5.088 22.565 6.480 1.00 0.00 O ATOM 1377 CB GLN A 100 6.807 19.819 6.188 1.00 0.00 C ATOM 1378 CG GLN A 100 7.957 19.056 6.825 1.00 0.00 C ATOM 1379 CD GLN A 100 8.684 18.166 5.836 1.00 0.00 C ATOM 1380 OE1 GLN A 100 9.095 16.987 6.290 1.00 0.00 O flip ATOM 1381 NE2 GLN A 100 8.875 18.532 4.676 1.00 0.00 N flip ATOM 0 H GLN A 100 5.189 18.402 7.414 1.00 0.00 H new ATOM 0 HA GLN A 100 6.367 20.938 7.967 1.00 0.00 H new ATOM 0 HB2 GLN A 100 6.275 19.155 5.507 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.211 20.634 5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 100 8.663 19.765 7.258 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.575 18.447 7.644 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.543 19.446 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.366 17.921 4.023 1.00 0.00 H new ATOM 1390 N GLU A 101 3.783 20.805 5.948 1.00 0.00 N ATOM 1391 CA GLU A 101 2.772 21.598 5.250 1.00 0.00 C ATOM 1392 C GLU A 101 3.404 22.624 4.309 1.00 0.00 C ATOM 1393 O GLU A 101 2.813 23.668 4.034 1.00 0.00 O ATOM 1394 CB GLU A 101 1.860 22.303 6.256 1.00 0.00 C ATOM 1395 CG GLU A 101 2.570 23.351 7.099 1.00 0.00 C ATOM 1396 CD GLU A 101 1.613 24.155 7.956 1.00 0.00 C ATOM 1397 OE1 GLU A 101 0.935 23.552 8.816 1.00 0.00 O ATOM 1398 OE2 GLU A 101 1.542 25.388 7.771 1.00 0.00 O ATOM 0 H GLU A 101 3.588 19.804 5.965 1.00 0.00 H new ATOM 0 HA GLU A 101 2.180 20.911 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.040 22.778 5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.418 21.557 6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.302 22.861 7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.121 24.026 6.444 1.00 0.00 H new ATOM 1405 N GLU A 102 4.602 22.321 3.815 1.00 0.00 N ATOM 1406 CA GLU A 102 5.299 23.216 2.907 1.00 0.00 C ATOM 1407 C GLU A 102 5.579 24.558 3.570 1.00 0.00 C ATOM 1408 O GLU A 102 4.660 25.288 3.937 1.00 0.00 O ATOM 1409 CB GLU A 102 4.484 23.420 1.635 1.00 0.00 C ATOM 1410 CG GLU A 102 4.861 22.471 0.510 1.00 0.00 C ATOM 1411 CD GLU A 102 4.558 23.046 -0.862 1.00 0.00 C ATOM 1412 OE1 GLU A 102 3.433 22.829 -1.361 1.00 0.00 O ATOM 1413 OE2 GLU A 102 5.445 23.712 -1.434 1.00 0.00 O ATOM 0 H GLU A 102 5.107 21.461 4.031 1.00 0.00 H new ATOM 0 HA GLU A 102 6.253 22.757 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.427 23.293 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.614 24.446 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.924 22.238 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.321 21.532 0.634 1.00 0.00 H new ATOM 1420 N GLU A 103 6.855 24.866 3.720 1.00 0.00 N ATOM 1421 CA GLU A 103 7.277 26.109 4.338 1.00 0.00 C ATOM 1422 C GLU A 103 8.764 26.345 4.098 1.00 0.00 C ATOM 1423 O GLU A 103 9.187 27.464 3.809 1.00 0.00 O ATOM 1424 CB GLU A 103 6.985 26.068 5.834 1.00 0.00 C ATOM 1425 CG GLU A 103 7.780 25.011 6.585 1.00 0.00 C ATOM 1426 CD GLU A 103 7.121 24.604 7.888 1.00 0.00 C ATOM 1427 OE1 GLU A 103 5.898 24.815 8.027 1.00 0.00 O ATOM 1428 OE2 GLU A 103 7.829 24.076 8.772 1.00 0.00 O ATOM 0 H GLU A 103 7.623 24.266 3.419 1.00 0.00 H new ATOM 0 HA GLU A 103 6.721 26.932 3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.201 27.046 6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.921 25.883 5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.898 24.132 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.780 25.392 6.791 1.00 0.00 H new TER 1435 GLU A 103