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 72 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 45 LYS NZ :NH3+ -131:sc=-0.00849 (180deg=-1.35!) USER MOD Single : A 16 GLN : amide:sc= -0.105 K(o=-0.1,f=-0.74) USER MOD Single : A 20 SER OG : rot 180:sc= -0.42 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 67:sc= 0.369 USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= 1.35 (180deg=0.946) 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= -0.227 K(o=-0.23,f=-1.7!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0663 K(o=-0.066,f=-1.2!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= -0.0229 (180deg=-0.181) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.99 F(o=-3.2,f=-2) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -143:sc= -5.84! (180deg=-8.42!) USER MOD Single : A 65 LYS NZ :NH3+ 153:sc= 0.133 (180deg=0.0103) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 104:sc= 1.22 USER MOD Single : A 69 THR OG1 : rot -92:sc= 1.17 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -160:sc= -3 (180deg=-4.25!) USER MOD Single : A 77 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.31) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 163:sc= -3.57 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 83:sc= 1.08 USER MOD Single : A 87 SER OG : rot -61:sc= -0.758 USER MOD Single : A 92 SER OG : rot 82:sc= 0.0628 USER MOD Single : A 95 GLN : amide:sc=-0.000476 K(o=-0.00048,f=-0.55) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 170:sc= 0.0661 (180deg=-0.515) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.191) USER MOD Single : A 99 GLN : amide:sc= -0.13 K(o=-0.13,f=-2.8!) USER MOD Single : A 100 GLN : amide:sc= -2.72 K(o=-2.7,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 16 -3.459 -27.840 2.317 1.00 0.00 N ATOM 2 CA GLN A 16 -2.592 -26.764 1.854 1.00 0.00 C ATOM 3 C GLN A 16 -3.270 -25.953 0.755 1.00 0.00 C ATOM 4 O GLN A 16 -3.633 -26.490 -0.294 1.00 0.00 O ATOM 5 CB GLN A 16 -1.268 -27.332 1.342 1.00 0.00 C ATOM 6 CG GLN A 16 -0.278 -27.658 2.448 1.00 0.00 C ATOM 7 CD GLN A 16 1.104 -27.093 2.182 1.00 0.00 C ATOM 8 OE1 GLN A 16 1.245 -25.993 1.646 1.00 0.00 O ATOM 9 NE2 GLN A 16 2.133 -27.846 2.554 1.00 0.00 N ATOM 0 HA GLN A 16 -2.393 -26.103 2.698 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.468 -28.236 0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.814 -26.614 0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.652 -27.263 3.393 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.208 -28.740 2.560 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.970 -28.751 2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.087 -27.519 2.399 1.00 0.00 H new ATOM 18 N GLY A 17 -3.439 -24.657 1.000 1.00 0.00 N ATOM 19 CA GLY A 17 -4.073 -23.795 0.020 1.00 0.00 C ATOM 20 C GLY A 17 -4.455 -22.444 0.598 1.00 0.00 C ATOM 21 O GLY A 17 -3.627 -21.533 0.642 1.00 0.00 O ATOM 0 H GLY A 17 -3.148 -24.189 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.397 -23.649 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.965 -24.286 -0.369 1.00 0.00 H new ATOM 25 N PRO A 18 -5.709 -22.281 1.053 1.00 0.00 N ATOM 26 CA PRO A 18 -6.180 -21.019 1.629 1.00 0.00 C ATOM 27 C PRO A 18 -5.595 -20.762 3.014 1.00 0.00 C ATOM 28 O PRO A 18 -4.658 -21.439 3.439 1.00 0.00 O ATOM 29 CB PRO A 18 -7.694 -21.214 1.717 1.00 0.00 C ATOM 30 CG PRO A 18 -7.876 -22.688 1.840 1.00 0.00 C ATOM 31 CD PRO A 18 -6.764 -23.313 1.041 1.00 0.00 C ATOM 0 HA PRO A 18 -5.881 -20.159 1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.112 -20.690 2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.196 -20.825 0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.830 -23.001 2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.850 -22.994 1.458 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.420 -24.244 1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.083 -23.549 0.026 1.00 0.00 H new ATOM 39 N GLY A 19 -6.151 -19.779 3.713 1.00 0.00 N ATOM 40 CA GLY A 19 -5.670 -19.451 5.043 1.00 0.00 C ATOM 41 C GLY A 19 -4.832 -18.190 5.062 1.00 0.00 C ATOM 42 O GLY A 19 -4.952 -17.370 5.973 1.00 0.00 O ATOM 0 H GLY A 19 -6.926 -19.203 3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.521 -19.328 5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.079 -20.282 5.427 1.00 0.00 H new ATOM 46 N SER A 20 -3.975 -18.034 4.058 1.00 0.00 N ATOM 47 CA SER A 20 -3.111 -16.864 3.963 1.00 0.00 C ATOM 48 C SER A 20 -3.806 -15.724 3.224 1.00 0.00 C ATOM 49 O SER A 20 -3.456 -14.557 3.393 1.00 0.00 O ATOM 50 CB SER A 20 -1.804 -17.226 3.252 1.00 0.00 C ATOM 51 OG SER A 20 -2.034 -18.142 2.197 1.00 0.00 O ATOM 0 H SER A 20 -3.861 -18.705 3.298 1.00 0.00 H new ATOM 0 HA SER A 20 -2.888 -16.529 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.338 -16.323 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.105 -17.659 3.968 1.00 0.00 H new ATOM 0 HG SER A 20 -1.184 -18.356 1.758 1.00 0.00 H new ATOM 57 N LEU A 21 -4.794 -16.069 2.402 1.00 0.00 N ATOM 58 CA LEU A 21 -5.538 -15.074 1.637 1.00 0.00 C ATOM 59 C LEU A 21 -6.106 -13.991 2.551 1.00 0.00 C ATOM 60 O LEU A 21 -6.217 -12.830 2.159 1.00 0.00 O ATOM 61 CB LEU A 21 -6.670 -15.742 0.855 1.00 0.00 C ATOM 62 CG LEU A 21 -6.244 -16.419 -0.449 1.00 0.00 C ATOM 63 CD1 LEU A 21 -7.292 -17.427 -0.893 1.00 0.00 C ATOM 64 CD2 LEU A 21 -6.010 -15.379 -1.535 1.00 0.00 C ATOM 0 H LEU A 21 -5.097 -17.031 2.249 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.848 -14.605 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.144 -16.486 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.426 -14.991 0.627 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.309 -16.951 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.972 -17.899 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.414 -18.188 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.242 -16.917 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.708 -15.877 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.930 -14.821 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.224 -14.693 -1.219 1.00 0.00 H new ATOM 76 N VAL A 22 -6.464 -14.381 3.770 1.00 0.00 N ATOM 77 CA VAL A 22 -7.021 -13.443 4.739 1.00 0.00 C ATOM 78 C VAL A 22 -6.029 -12.327 5.054 1.00 0.00 C ATOM 79 O VAL A 22 -6.392 -11.150 5.079 1.00 0.00 O ATOM 80 CB VAL A 22 -7.421 -14.153 6.046 1.00 0.00 C ATOM 81 CG1 VAL A 22 -6.205 -14.776 6.717 1.00 0.00 C ATOM 82 CG2 VAL A 22 -8.123 -13.186 6.988 1.00 0.00 C ATOM 0 H VAL A 22 -6.379 -15.339 4.110 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.914 -13.012 4.287 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.117 -14.954 5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.512 -15.272 7.638 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.753 -15.506 6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.478 -13.997 6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.398 -13.707 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.453 -12.360 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.022 -12.798 6.508 1.00 0.00 H new ATOM 92 N LYS A 23 -4.775 -12.701 5.291 1.00 0.00 N ATOM 93 CA LYS A 23 -3.735 -11.726 5.600 1.00 0.00 C ATOM 94 C LYS A 23 -3.564 -10.743 4.450 1.00 0.00 C ATOM 95 O LYS A 23 -3.511 -9.529 4.654 1.00 0.00 O ATOM 96 CB LYS A 23 -2.409 -12.432 5.888 1.00 0.00 C ATOM 97 CG LYS A 23 -2.271 -12.902 7.327 1.00 0.00 C ATOM 98 CD LYS A 23 -0.863 -12.682 7.857 1.00 0.00 C ATOM 99 CE LYS A 23 -0.879 -12.098 9.260 1.00 0.00 C ATOM 100 NZ LYS A 23 -0.773 -10.613 9.245 1.00 0.00 N ATOM 0 H LYS A 23 -4.455 -13.669 5.275 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.039 -11.173 6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.312 -13.290 5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.588 -11.754 5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.984 -12.367 7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.522 -13.961 7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.323 -13.629 7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.323 -12.011 7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.800 -12.391 9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.053 -12.515 9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.787 -10.254 10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.117 -10.333 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.575 -10.213 8.717 1.00 0.00 H new ATOM 114 N VAL A 24 -3.490 -11.276 3.236 1.00 0.00 N ATOM 115 CA VAL A 24 -3.338 -10.450 2.046 1.00 0.00 C ATOM 116 C VAL A 24 -4.475 -9.438 1.952 1.00 0.00 C ATOM 117 O VAL A 24 -4.251 -8.257 1.681 1.00 0.00 O ATOM 118 CB VAL A 24 -3.309 -11.303 0.764 1.00 0.00 C ATOM 119 CG1 VAL A 24 -2.930 -10.449 -0.436 1.00 0.00 C ATOM 120 CG2 VAL A 24 -2.345 -12.470 0.917 1.00 0.00 C ATOM 0 H VAL A 24 -3.533 -12.278 3.051 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.386 -9.926 2.134 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.308 -11.706 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.914 -11.068 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.661 -9.650 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.942 -10.016 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.339 -13.060 0.000 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.342 -12.090 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.662 -13.097 1.750 1.00 0.00 H new ATOM 130 N GLY A 25 -5.695 -9.907 2.194 1.00 0.00 N ATOM 131 CA GLY A 25 -6.847 -9.030 2.149 1.00 0.00 C ATOM 132 C GLY A 25 -6.754 -7.930 3.187 1.00 0.00 C ATOM 133 O GLY A 25 -7.160 -6.794 2.940 1.00 0.00 O ATOM 0 H GLY A 25 -5.905 -10.879 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.929 -8.588 1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.754 -9.611 2.315 1.00 0.00 H new ATOM 137 N THR A 26 -6.205 -8.270 4.351 1.00 0.00 N ATOM 138 CA THR A 26 -6.042 -7.304 5.429 1.00 0.00 C ATOM 139 C THR A 26 -5.204 -6.124 4.955 1.00 0.00 C ATOM 140 O THR A 26 -5.569 -4.966 5.160 1.00 0.00 O ATOM 141 CB THR A 26 -5.383 -7.963 6.642 1.00 0.00 C ATOM 142 OG1 THR A 26 -5.903 -9.264 6.851 1.00 0.00 O ATOM 143 CG2 THR A 26 -5.571 -7.180 7.923 1.00 0.00 C ATOM 0 H THR A 26 -5.866 -9.207 4.569 1.00 0.00 H new ATOM 0 HA THR A 26 -7.028 -6.942 5.722 1.00 0.00 H new ATOM 0 HB THR A 26 -4.319 -7.997 6.410 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.641 -9.845 6.106 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.080 -7.702 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.134 -6.188 7.810 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.635 -7.085 8.139 1.00 0.00 H new ATOM 151 N LEU A 27 -4.084 -6.426 4.306 1.00 0.00 N ATOM 152 CA LEU A 27 -3.205 -5.386 3.788 1.00 0.00 C ATOM 153 C LEU A 27 -3.948 -4.533 2.771 1.00 0.00 C ATOM 154 O LEU A 27 -3.797 -3.313 2.744 1.00 0.00 O ATOM 155 CB LEU A 27 -1.953 -5.998 3.158 1.00 0.00 C ATOM 156 CG LEU A 27 -0.781 -6.203 4.119 1.00 0.00 C ATOM 157 CD1 LEU A 27 0.331 -6.997 3.450 1.00 0.00 C ATOM 158 CD2 LEU A 27 -0.260 -4.862 4.616 1.00 0.00 C ATOM 0 H LEU A 27 -3.765 -7.378 4.127 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.892 -4.753 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.218 -6.961 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.625 -5.356 2.340 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.136 -6.774 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.155 -7.131 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.050 -7.972 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.686 -6.457 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.574 -5.026 5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.077 -4.266 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.057 -4.333 5.138 1.00 0.00 H new ATOM 170 N LYS A 28 -4.775 -5.180 1.951 1.00 0.00 N ATOM 171 CA LYS A 28 -5.563 -4.462 0.956 1.00 0.00 C ATOM 172 C LYS A 28 -6.369 -3.370 1.648 1.00 0.00 C ATOM 173 O LYS A 28 -6.479 -2.244 1.157 1.00 0.00 O ATOM 174 CB LYS A 28 -6.496 -5.422 0.213 1.00 0.00 C ATOM 175 CG LYS A 28 -5.964 -5.861 -1.142 1.00 0.00 C ATOM 176 CD LYS A 28 -6.668 -5.140 -2.282 1.00 0.00 C ATOM 177 CE LYS A 28 -5.752 -4.130 -2.955 1.00 0.00 C ATOM 178 NZ LYS A 28 -6.069 -3.970 -4.401 1.00 0.00 N ATOM 0 H LYS A 28 -4.915 -6.190 1.957 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.892 -4.010 0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.664 -6.304 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.464 -4.941 0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.893 -5.665 -1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.097 -6.937 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.011 -5.868 -3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.553 -4.632 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.844 -3.166 -2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.716 -4.449 -2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.610 -3.110 -4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.720 -4.797 -4.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.099 -3.891 -4.524 1.00 0.00 H new ATOM 192 N LYS A 29 -6.906 -3.714 2.815 1.00 0.00 N ATOM 193 CA LYS A 29 -7.674 -2.768 3.606 1.00 0.00 C ATOM 194 C LYS A 29 -6.766 -1.635 4.060 1.00 0.00 C ATOM 195 O LYS A 29 -7.172 -0.474 4.100 1.00 0.00 O ATOM 196 CB LYS A 29 -8.301 -3.462 4.816 1.00 0.00 C ATOM 197 CG LYS A 29 -9.723 -3.944 4.573 1.00 0.00 C ATOM 198 CD LYS A 29 -9.745 -5.364 4.031 1.00 0.00 C ATOM 199 CE LYS A 29 -11.141 -5.772 3.592 1.00 0.00 C ATOM 200 NZ LYS A 29 -11.831 -6.593 4.625 1.00 0.00 N ATOM 0 H LYS A 29 -6.821 -4.642 3.231 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.479 -2.363 2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.681 -4.313 5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.299 -2.773 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.287 -3.900 5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.219 -3.277 3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.060 -5.443 3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.388 -6.052 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.731 -4.880 3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.078 -6.337 2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.780 -6.851 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.281 -7.457 4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.914 -6.045 5.505 1.00 0.00 H new ATOM 214 N ARG A 30 -5.519 -1.982 4.385 1.00 0.00 N ATOM 215 CA ARG A 30 -4.544 -0.989 4.814 1.00 0.00 C ATOM 216 C ARG A 30 -4.301 0.013 3.690 1.00 0.00 C ATOM 217 O ARG A 30 -4.065 1.196 3.936 1.00 0.00 O ATOM 218 CB ARG A 30 -3.231 -1.666 5.214 1.00 0.00 C ATOM 219 CG ARG A 30 -2.832 -1.408 6.658 1.00 0.00 C ATOM 220 CD ARG A 30 -3.599 -2.305 7.616 1.00 0.00 C ATOM 221 NE ARG A 30 -3.789 -1.676 8.921 1.00 0.00 N ATOM 222 CZ ARG A 30 -4.404 -2.264 9.946 1.00 0.00 C ATOM 223 NH1 ARG A 30 -4.890 -3.493 9.821 1.00 0.00 N ATOM 224 NH2 ARG A 30 -4.534 -1.620 11.097 1.00 0.00 N ATOM 0 H ARG A 30 -5.166 -2.939 4.358 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.937 -0.462 5.683 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.323 -2.741 5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.435 -1.315 4.557 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.762 -1.578 6.777 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.019 -0.363 6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.571 -2.548 7.186 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.062 -3.245 7.741 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.430 -0.731 9.055 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.793 -3.992 8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.360 -3.938 10.609 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.163 -0.675 11.197 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.005 -2.069 11.882 1.00 0.00 H new ATOM 238 N LEU A 31 -4.375 -0.472 2.454 1.00 0.00 N ATOM 239 CA LEU A 31 -4.180 0.376 1.285 1.00 0.00 C ATOM 240 C LEU A 31 -5.295 1.410 1.199 1.00 0.00 C ATOM 241 O LEU A 31 -5.039 2.602 1.030 1.00 0.00 O ATOM 242 CB LEU A 31 -4.149 -0.468 0.011 1.00 0.00 C ATOM 243 CG LEU A 31 -3.065 -1.546 -0.029 1.00 0.00 C ATOM 244 CD1 LEU A 31 -3.270 -2.465 -1.224 1.00 0.00 C ATOM 245 CD2 LEU A 31 -1.684 -0.908 -0.071 1.00 0.00 C ATOM 0 H LEU A 31 -4.569 -1.450 2.237 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.224 0.891 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.120 -0.947 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.011 0.196 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.139 -2.146 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.489 -3.226 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.245 -2.947 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.223 -1.882 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.923 -1.688 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.598 -0.285 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.540 -0.293 0.817 1.00 0.00 H new ATOM 257 N ASP A 32 -6.535 0.944 1.326 1.00 0.00 N ATOM 258 CA ASP A 32 -7.689 1.836 1.276 1.00 0.00 C ATOM 259 C ASP A 32 -7.574 2.906 2.355 1.00 0.00 C ATOM 260 O ASP A 32 -7.849 4.082 2.114 1.00 0.00 O ATOM 261 CB ASP A 32 -8.985 1.042 1.461 1.00 0.00 C ATOM 262 CG ASP A 32 -10.218 1.917 1.350 1.00 0.00 C ATOM 263 OD1 ASP A 32 -10.626 2.502 2.376 1.00 0.00 O ATOM 264 OD2 ASP A 32 -10.777 2.019 0.237 1.00 0.00 O ATOM 0 H ASP A 32 -6.765 -0.040 1.463 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.711 2.320 0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.034 0.252 0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.974 0.556 2.436 1.00 0.00 H new ATOM 269 N LYS A 33 -7.147 2.487 3.543 1.00 0.00 N ATOM 270 CA LYS A 33 -6.973 3.402 4.661 1.00 0.00 C ATOM 271 C LYS A 33 -5.935 4.464 4.311 1.00 0.00 C ATOM 272 O LYS A 33 -6.111 5.647 4.608 1.00 0.00 O ATOM 273 CB LYS A 33 -6.542 2.626 5.912 1.00 0.00 C ATOM 274 CG LYS A 33 -6.063 3.507 7.055 1.00 0.00 C ATOM 275 CD LYS A 33 -7.183 4.383 7.592 1.00 0.00 C ATOM 276 CE LYS A 33 -6.644 5.680 8.173 1.00 0.00 C ATOM 277 NZ LYS A 33 -7.506 6.199 9.270 1.00 0.00 N ATOM 0 H LYS A 33 -6.915 1.516 3.754 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.922 3.897 4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.381 2.023 6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.744 1.935 5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.672 2.882 7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.241 4.135 6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.888 4.607 6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.735 3.840 8.360 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.635 5.516 8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.571 6.428 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.103 7.084 9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.463 6.380 8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.555 5.496 10.035 1.00 0.00 H new ATOM 291 N PHE A 34 -4.856 4.028 3.669 1.00 0.00 N ATOM 292 CA PHE A 34 -3.788 4.933 3.263 1.00 0.00 C ATOM 293 C PHE A 34 -4.323 5.987 2.301 1.00 0.00 C ATOM 294 O PHE A 34 -4.032 7.175 2.440 1.00 0.00 O ATOM 295 CB PHE A 34 -2.651 4.149 2.601 1.00 0.00 C ATOM 296 CG PHE A 34 -1.744 3.440 3.573 1.00 0.00 C ATOM 297 CD1 PHE A 34 -2.211 3.020 4.809 1.00 0.00 C ATOM 298 CD2 PHE A 34 -0.421 3.192 3.243 1.00 0.00 C ATOM 299 CE1 PHE A 34 -1.375 2.367 5.697 1.00 0.00 C ATOM 300 CE2 PHE A 34 0.418 2.540 4.125 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.060 2.127 5.354 1.00 0.00 C ATOM 0 H PHE A 34 -4.698 3.052 3.419 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.402 5.432 4.151 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.080 3.415 1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.055 4.834 1.998 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.240 3.205 5.082 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.041 3.513 2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.751 2.046 6.657 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.447 2.353 3.855 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.595 1.617 6.045 1.00 0.00 H new ATOM 311 N ASN A 35 -5.111 5.541 1.328 1.00 0.00 N ATOM 312 CA ASN A 35 -5.696 6.442 0.343 1.00 0.00 C ATOM 313 C ASN A 35 -6.551 7.503 1.027 1.00 0.00 C ATOM 314 O ASN A 35 -6.584 8.656 0.600 1.00 0.00 O ATOM 315 CB ASN A 35 -6.538 5.658 -0.664 1.00 0.00 C ATOM 316 CG ASN A 35 -5.767 5.320 -1.924 1.00 0.00 C ATOM 317 OD1 ASN A 35 -4.881 6.066 -2.342 1.00 0.00 O ATOM 318 ND2 ASN A 35 -6.102 4.191 -2.538 1.00 0.00 N ATOM 0 H ASN A 35 -5.359 4.560 1.201 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.885 6.939 -0.189 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.891 4.737 -0.199 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.421 6.241 -0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.618 3.912 -3.392 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.843 3.603 -2.156 1.00 0.00 H new ATOM 325 N GLU A 36 -7.237 7.105 2.094 1.00 0.00 N ATOM 326 CA GLU A 36 -8.087 8.026 2.841 1.00 0.00 C ATOM 327 C GLU A 36 -7.259 9.164 3.420 1.00 0.00 C ATOM 328 O GLU A 36 -7.537 10.340 3.177 1.00 0.00 O ATOM 329 CB GLU A 36 -8.817 7.284 3.963 1.00 0.00 C ATOM 330 CG GLU A 36 -10.142 7.919 4.351 1.00 0.00 C ATOM 331 CD GLU A 36 -10.766 7.269 5.570 1.00 0.00 C ATOM 332 OE1 GLU A 36 -10.083 7.181 6.612 1.00 0.00 O ATOM 333 OE2 GLU A 36 -11.939 6.845 5.481 1.00 0.00 O ATOM 0 H GLU A 36 -7.221 6.153 2.460 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.825 8.445 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.994 6.255 3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.172 7.244 4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.988 8.980 4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.834 7.848 3.512 1.00 0.00 H new ATOM 340 N VAL A 37 -6.233 8.806 4.182 1.00 0.00 N ATOM 341 CA VAL A 37 -5.352 9.793 4.794 1.00 0.00 C ATOM 342 C VAL A 37 -4.699 10.666 3.728 1.00 0.00 C ATOM 343 O VAL A 37 -4.523 11.869 3.917 1.00 0.00 O ATOM 344 CB VAL A 37 -4.251 9.122 5.639 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.430 10.168 6.378 1.00 0.00 C ATOM 346 CG2 VAL A 37 -4.859 8.123 6.613 1.00 0.00 C ATOM 0 H VAL A 37 -5.990 7.838 4.391 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.968 10.411 5.447 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.584 8.580 4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.658 9.674 6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.962 10.839 5.658 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.081 10.742 7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.067 7.659 7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.550 8.639 7.279 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.396 7.354 6.058 1.00 0.00 H new ATOM 356 N VAL A 38 -4.346 10.049 2.606 1.00 0.00 N ATOM 357 CA VAL A 38 -3.717 10.764 1.503 1.00 0.00 C ATOM 358 C VAL A 38 -4.716 11.687 0.814 1.00 0.00 C ATOM 359 O VAL A 38 -4.372 12.795 0.404 1.00 0.00 O ATOM 360 CB VAL A 38 -3.128 9.787 0.468 1.00 0.00 C ATOM 361 CG1 VAL A 38 -2.401 10.544 -0.634 1.00 0.00 C ATOM 362 CG2 VAL A 38 -2.197 8.794 1.144 1.00 0.00 C ATOM 0 H VAL A 38 -4.485 9.053 2.437 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.908 11.361 1.924 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.949 9.232 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.993 9.835 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.099 11.212 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.589 11.128 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.790 8.111 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.381 9.331 1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.751 8.226 1.891 1.00 0.00 H new ATOM 372 N SER A 39 -5.956 11.225 0.694 1.00 0.00 N ATOM 373 CA SER A 39 -7.004 12.013 0.059 1.00 0.00 C ATOM 374 C SER A 39 -7.220 13.318 0.815 1.00 0.00 C ATOM 375 O SER A 39 -7.473 14.363 0.215 1.00 0.00 O ATOM 376 CB SER A 39 -8.312 11.216 0.002 1.00 0.00 C ATOM 377 OG SER A 39 -8.754 11.056 -1.335 1.00 0.00 O ATOM 0 H SER A 39 -6.259 10.310 1.028 1.00 0.00 H new ATOM 0 HA SER A 39 -6.690 12.245 -0.959 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.165 10.238 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.079 11.728 0.583 1.00 0.00 H new ATOM 0 HG SER A 39 -9.589 10.543 -1.344 1.00 0.00 H new ATOM 383 N ALA A 40 -7.110 13.248 2.138 1.00 0.00 N ATOM 384 CA ALA A 40 -7.285 14.422 2.982 1.00 0.00 C ATOM 385 C ALA A 40 -6.078 15.355 2.896 1.00 0.00 C ATOM 386 O ALA A 40 -6.135 16.499 3.348 1.00 0.00 O ATOM 387 CB ALA A 40 -7.523 14.001 4.424 1.00 0.00 C ATOM 0 H ALA A 40 -6.900 12.390 2.648 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.156 14.968 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.652 14.887 5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.420 13.385 4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.667 13.429 4.782 1.00 0.00 H new ATOM 393 N LEU A 41 -4.986 14.861 2.314 1.00 0.00 N ATOM 394 CA LEU A 41 -3.769 15.654 2.174 1.00 0.00 C ATOM 395 C LEU A 41 -3.814 16.504 0.908 1.00 0.00 C ATOM 396 O LEU A 41 -3.658 17.724 0.963 1.00 0.00 O ATOM 397 CB LEU A 41 -2.543 14.741 2.142 1.00 0.00 C ATOM 398 CG LEU A 41 -2.129 14.162 3.497 1.00 0.00 C ATOM 399 CD1 LEU A 41 -1.120 13.038 3.310 1.00 0.00 C ATOM 400 CD2 LEU A 41 -1.555 15.253 4.388 1.00 0.00 C ATOM 0 H LEU A 41 -4.921 13.917 1.933 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.699 16.319 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.741 13.916 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.703 15.301 1.732 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.014 13.751 3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.837 12.638 4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.565 12.246 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.235 13.424 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.266 14.824 5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.680 15.692 3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.307 16.026 4.548 1.00 0.00 H new ATOM 412 N LYS A 42 -4.024 15.849 -0.233 1.00 0.00 N ATOM 413 CA LYS A 42 -4.086 16.535 -1.523 1.00 0.00 C ATOM 414 C LYS A 42 -2.699 16.974 -1.996 1.00 0.00 C ATOM 415 O LYS A 42 -2.568 17.624 -3.033 1.00 0.00 O ATOM 416 CB LYS A 42 -5.012 17.750 -1.444 1.00 0.00 C ATOM 417 CG LYS A 42 -6.355 17.452 -0.795 1.00 0.00 C ATOM 418 CD LYS A 42 -6.480 18.122 0.563 1.00 0.00 C ATOM 419 CE LYS A 42 -7.918 18.517 0.859 1.00 0.00 C ATOM 420 NZ LYS A 42 -8.176 19.950 0.546 1.00 0.00 N ATOM 0 H LYS A 42 -4.155 14.839 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.485 15.825 -2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.514 18.540 -0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.181 18.133 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.159 17.795 -1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.474 16.374 -0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.120 17.445 1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.845 19.007 0.593 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.594 17.891 0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.137 18.330 1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.167 20.179 0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.549 20.549 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.992 20.124 -0.463 1.00 0.00 H new ATOM 434 N ASP A 43 -1.669 16.613 -1.235 1.00 0.00 N ATOM 435 CA ASP A 43 -0.299 16.970 -1.585 1.00 0.00 C ATOM 436 C ASP A 43 0.515 15.723 -1.917 1.00 0.00 C ATOM 437 O ASP A 43 0.568 14.778 -1.131 1.00 0.00 O ATOM 438 CB ASP A 43 0.361 17.736 -0.437 1.00 0.00 C ATOM 439 CG ASP A 43 0.217 17.020 0.893 1.00 0.00 C ATOM 440 OD1 ASP A 43 1.029 16.113 1.170 1.00 0.00 O ATOM 441 OD2 ASP A 43 -0.709 17.368 1.656 1.00 0.00 O ATOM 0 H ASP A 43 -1.758 16.074 -0.373 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.328 17.610 -2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.419 17.877 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.084 18.728 -0.363 1.00 0.00 H new ATOM 446 N GLY A 44 1.145 15.726 -3.088 1.00 0.00 N ATOM 447 CA GLY A 44 1.941 14.586 -3.503 1.00 0.00 C ATOM 448 C GLY A 44 1.085 13.424 -3.966 1.00 0.00 C ATOM 449 O GLY A 44 1.457 12.263 -3.799 1.00 0.00 O ATOM 0 H GLY A 44 1.118 16.497 -3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.609 14.887 -4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.570 14.263 -2.673 1.00 0.00 H new ATOM 453 N LYS A 45 -0.068 13.742 -4.549 1.00 0.00 N ATOM 454 CA LYS A 45 -0.993 12.724 -5.042 1.00 0.00 C ATOM 455 C LYS A 45 -0.273 11.669 -5.884 1.00 0.00 C ATOM 456 O LYS A 45 -0.337 10.479 -5.580 1.00 0.00 O ATOM 457 CB LYS A 45 -2.105 13.376 -5.863 1.00 0.00 C ATOM 458 CG LYS A 45 -3.399 13.570 -5.087 1.00 0.00 C ATOM 459 CD LYS A 45 -4.036 12.239 -4.722 1.00 0.00 C ATOM 460 CE LYS A 45 -4.820 12.333 -3.422 1.00 0.00 C ATOM 461 NZ LYS A 45 -5.842 11.256 -3.312 1.00 0.00 N ATOM 0 H LYS A 45 -0.385 14.701 -4.692 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.427 12.224 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.759 14.344 -6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.306 12.762 -6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.198 14.139 -4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.097 14.157 -5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.699 11.920 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.262 11.478 -4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.133 12.269 -2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.309 13.305 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.757 11.672 -3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.936 10.772 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.548 10.571 -2.587 1.00 0.00 H new ATOM 475 N PRO A 46 0.418 12.086 -6.960 1.00 0.00 N ATOM 476 CA PRO A 46 1.140 11.161 -7.841 1.00 0.00 C ATOM 477 C PRO A 46 2.118 10.272 -7.079 1.00 0.00 C ATOM 478 O PRO A 46 2.130 9.055 -7.257 1.00 0.00 O ATOM 479 CB PRO A 46 1.893 12.081 -8.814 1.00 0.00 C ATOM 480 CG PRO A 46 1.819 13.446 -8.214 1.00 0.00 C ATOM 481 CD PRO A 46 0.550 13.479 -7.413 1.00 0.00 C ATOM 0 HA PRO A 46 0.458 10.471 -8.339 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.928 11.761 -8.934 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.437 12.063 -9.804 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.685 13.641 -7.581 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.811 14.213 -8.989 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.618 14.173 -6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.302 13.791 -8.017 1.00 0.00 H new ATOM 489 N GLU A 47 2.939 10.888 -6.230 1.00 0.00 N ATOM 490 CA GLU A 47 3.924 10.149 -5.442 1.00 0.00 C ATOM 491 C GLU A 47 3.269 9.013 -4.662 1.00 0.00 C ATOM 492 O GLU A 47 3.726 7.869 -4.702 1.00 0.00 O ATOM 493 CB GLU A 47 4.646 11.093 -4.478 1.00 0.00 C ATOM 494 CG GLU A 47 5.460 12.171 -5.175 1.00 0.00 C ATOM 495 CD GLU A 47 6.844 12.332 -4.580 1.00 0.00 C ATOM 496 OE1 GLU A 47 7.685 11.429 -4.780 1.00 0.00 O ATOM 497 OE2 GLU A 47 7.090 13.361 -3.916 1.00 0.00 O ATOM 0 H GLU A 47 2.942 11.895 -6.070 1.00 0.00 H new ATOM 0 HA GLU A 47 4.648 9.716 -6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.910 11.568 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.306 10.509 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.550 11.926 -6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.929 13.121 -5.112 1.00 0.00 H new ATOM 504 N VAL A 48 2.196 9.338 -3.958 1.00 0.00 N ATOM 505 CA VAL A 48 1.470 8.348 -3.169 1.00 0.00 C ATOM 506 C VAL A 48 0.788 7.331 -4.069 1.00 0.00 C ATOM 507 O VAL A 48 0.998 6.134 -3.933 1.00 0.00 O ATOM 508 CB VAL A 48 0.410 9.006 -2.258 1.00 0.00 C ATOM 509 CG1 VAL A 48 0.039 8.076 -1.111 1.00 0.00 C ATOM 510 CG2 VAL A 48 0.903 10.346 -1.726 1.00 0.00 C ATOM 0 H VAL A 48 1.806 10.280 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 48 2.206 7.845 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.483 9.189 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.709 8.557 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.367 7.148 -1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.927 7.857 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.138 10.788 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.815 10.195 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.110 11.015 -2.561 1.00 0.00 H new ATOM 520 N ASN A 49 -0.028 7.811 -4.992 1.00 0.00 N ATOM 521 CA ASN A 49 -0.738 6.927 -5.905 1.00 0.00 C ATOM 522 C ASN A 49 0.211 5.960 -6.615 1.00 0.00 C ATOM 523 O ASN A 49 -0.151 4.814 -6.875 1.00 0.00 O ATOM 524 CB ASN A 49 -1.516 7.744 -6.938 1.00 0.00 C ATOM 525 CG ASN A 49 -2.792 8.333 -6.367 1.00 0.00 C ATOM 526 OD1 ASN A 49 -3.431 7.736 -5.500 1.00 0.00 O ATOM 527 ND2 ASN A 49 -3.170 9.509 -6.852 1.00 0.00 N ATOM 0 H ASN A 49 -0.216 8.804 -5.130 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.434 6.336 -5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.883 8.549 -7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.761 7.109 -7.789 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.021 9.954 -6.507 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.610 9.968 -7.570 1.00 0.00 H new ATOM 534 N ARG A 50 1.418 6.423 -6.935 1.00 0.00 N ATOM 535 CA ARG A 50 2.395 5.581 -7.631 1.00 0.00 C ATOM 536 C ARG A 50 3.000 4.519 -6.712 1.00 0.00 C ATOM 537 O ARG A 50 3.211 3.376 -7.126 1.00 0.00 O ATOM 538 CB ARG A 50 3.505 6.441 -8.251 1.00 0.00 C ATOM 539 CG ARG A 50 4.445 7.077 -7.238 1.00 0.00 C ATOM 540 CD ARG A 50 5.795 7.397 -7.859 1.00 0.00 C ATOM 541 NE ARG A 50 6.871 7.378 -6.869 1.00 0.00 N ATOM 542 CZ ARG A 50 7.326 6.269 -6.290 1.00 0.00 C ATOM 543 NH1 ARG A 50 6.809 5.087 -6.604 1.00 0.00 N ATOM 544 NH2 ARG A 50 8.303 6.340 -5.398 1.00 0.00 N ATOM 0 H ARG A 50 1.743 7.367 -6.727 1.00 0.00 H new ATOM 0 HA ARG A 50 1.860 5.060 -8.426 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.089 5.823 -8.933 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.047 7.229 -8.848 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.997 7.990 -6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.582 6.402 -6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.013 6.674 -8.645 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.754 8.379 -8.331 1.00 0.00 H new ATOM 0 HE ARG A 50 7.298 8.266 -6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.059 5.025 -7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.162 4.241 -6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.707 7.245 -5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.651 5.490 -4.955 1.00 0.00 H new ATOM 558 N GLN A 51 3.266 4.887 -5.463 1.00 0.00 N ATOM 559 CA GLN A 51 3.833 3.947 -4.503 1.00 0.00 C ATOM 560 C GLN A 51 2.748 2.999 -4.035 1.00 0.00 C ATOM 561 O GLN A 51 2.915 1.778 -4.023 1.00 0.00 O ATOM 562 CB GLN A 51 4.436 4.692 -3.310 1.00 0.00 C ATOM 563 CG GLN A 51 5.762 5.367 -3.620 1.00 0.00 C ATOM 564 CD GLN A 51 6.429 5.936 -2.382 1.00 0.00 C ATOM 565 OE1 GLN A 51 6.795 5.198 -1.466 1.00 0.00 O ATOM 566 NE2 GLN A 51 6.590 7.254 -2.349 1.00 0.00 N ATOM 0 H GLN A 51 3.099 5.823 -5.094 1.00 0.00 H new ATOM 0 HA GLN A 51 4.630 3.380 -4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.726 5.445 -2.966 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.579 3.990 -2.489 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.431 4.647 -4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.598 6.168 -4.341 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.271 7.826 -3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.032 7.694 -1.542 1.00 0.00 H new ATOM 575 N ILE A 52 1.621 3.588 -3.678 1.00 0.00 N ATOM 576 CA ILE A 52 0.465 2.847 -3.227 1.00 0.00 C ATOM 577 C ILE A 52 0.040 1.837 -4.293 1.00 0.00 C ATOM 578 O ILE A 52 -0.452 0.754 -3.976 1.00 0.00 O ATOM 579 CB ILE A 52 -0.694 3.818 -2.915 1.00 0.00 C ATOM 580 CG1 ILE A 52 -0.282 4.778 -1.792 1.00 0.00 C ATOM 581 CG2 ILE A 52 -1.951 3.061 -2.539 1.00 0.00 C ATOM 582 CD1 ILE A 52 -1.445 5.381 -1.028 1.00 0.00 C ATOM 0 H ILE A 52 1.485 4.599 -3.694 1.00 0.00 H new ATOM 0 HA ILE A 52 0.723 2.305 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.912 4.397 -3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.360 4.244 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.314 5.584 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.752 3.769 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.249 2.416 -3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.759 2.452 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.065 6.047 -0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.077 5.945 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.030 4.585 -0.568 1.00 0.00 H new ATOM 594 N LYS A 53 0.254 2.193 -5.560 1.00 0.00 N ATOM 595 CA LYS A 53 -0.089 1.306 -6.664 1.00 0.00 C ATOM 596 C LYS A 53 0.836 0.097 -6.681 1.00 0.00 C ATOM 597 O LYS A 53 0.383 -1.044 -6.699 1.00 0.00 O ATOM 598 CB LYS A 53 0.001 2.040 -8.005 1.00 0.00 C ATOM 599 CG LYS A 53 -1.263 1.932 -8.842 1.00 0.00 C ATOM 600 CD LYS A 53 -1.404 0.552 -9.463 1.00 0.00 C ATOM 601 CE LYS A 53 -1.816 0.636 -10.923 1.00 0.00 C ATOM 602 NZ LYS A 53 -0.743 1.227 -11.771 1.00 0.00 N ATOM 0 H LYS A 53 0.661 3.085 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.116 0.971 -6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.216 3.093 -7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.839 1.639 -8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.132 2.142 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.245 2.686 -9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.458 0.017 -9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.145 -0.024 -8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.060 -0.361 -11.289 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.721 1.238 -11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.884 0.939 -12.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.779 2.264 -11.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.184 0.891 -11.441 1.00 0.00 H new ATOM 616 N ASN A 54 2.142 0.355 -6.676 1.00 0.00 N ATOM 617 CA ASN A 54 3.130 -0.723 -6.696 1.00 0.00 C ATOM 618 C ASN A 54 2.836 -1.749 -5.609 1.00 0.00 C ATOM 619 O ASN A 54 3.066 -2.944 -5.794 1.00 0.00 O ATOM 620 CB ASN A 54 4.544 -0.166 -6.508 1.00 0.00 C ATOM 621 CG ASN A 54 4.794 1.084 -7.328 1.00 0.00 C ATOM 622 OD1 ASN A 54 5.456 2.062 -6.722 1.00 0.00 O flip ATOM 623 ND2 ASN A 54 4.399 1.169 -8.491 1.00 0.00 N flip ATOM 0 H ASN A 54 2.540 1.294 -6.658 1.00 0.00 H new ATOM 0 HA ASN A 54 3.067 -1.212 -7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.705 0.058 -5.453 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.271 -0.929 -6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.894 0.392 -8.916 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.577 2.017 -9.029 1.00 0.00 H new ATOM 630 N LEU A 55 2.323 -1.281 -4.476 1.00 0.00 N ATOM 631 CA LEU A 55 1.999 -2.176 -3.371 1.00 0.00 C ATOM 632 C LEU A 55 0.716 -2.944 -3.651 1.00 0.00 C ATOM 633 O LEU A 55 0.663 -4.159 -3.465 1.00 0.00 O ATOM 634 CB LEU A 55 1.878 -1.395 -2.060 1.00 0.00 C ATOM 635 CG LEU A 55 3.070 -0.495 -1.725 1.00 0.00 C ATOM 636 CD1 LEU A 55 2.938 0.064 -0.317 1.00 0.00 C ATOM 637 CD2 LEU A 55 4.378 -1.258 -1.876 1.00 0.00 C ATOM 0 H LEU A 55 2.124 -0.296 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 55 2.812 -2.895 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.980 -0.779 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.739 -2.105 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 55 3.077 0.339 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.794 0.701 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.021 0.649 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.903 -0.757 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.213 -0.601 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.381 -2.113 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.479 -1.608 -2.903 1.00 0.00 H new ATOM 649 N GLU A 56 -0.311 -2.243 -4.118 1.00 0.00 N ATOM 650 CA GLU A 56 -1.574 -2.896 -4.438 1.00 0.00 C ATOM 651 C GLU A 56 -1.321 -4.007 -5.453 1.00 0.00 C ATOM 652 O GLU A 56 -1.986 -5.042 -5.445 1.00 0.00 O ATOM 653 CB GLU A 56 -2.603 -1.881 -4.960 1.00 0.00 C ATOM 654 CG GLU A 56 -2.497 -1.575 -6.449 1.00 0.00 C ATOM 655 CD GLU A 56 -3.636 -2.174 -7.250 1.00 0.00 C ATOM 656 OE1 GLU A 56 -4.740 -2.328 -6.688 1.00 0.00 O ATOM 657 OE2 GLU A 56 -3.423 -2.491 -8.440 1.00 0.00 O ATOM 0 H GLU A 56 -0.295 -1.236 -4.282 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.992 -3.335 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.604 -2.259 -4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.490 -0.951 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.485 -0.495 -6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.550 -1.959 -6.828 1.00 0.00 H new ATOM 664 N ILE A 57 -0.323 -3.783 -6.306 1.00 0.00 N ATOM 665 CA ILE A 57 0.069 -4.752 -7.312 1.00 0.00 C ATOM 666 C ILE A 57 0.755 -5.940 -6.653 1.00 0.00 C ATOM 667 O ILE A 57 0.469 -7.094 -6.972 1.00 0.00 O ATOM 668 CB ILE A 57 1.025 -4.118 -8.336 1.00 0.00 C ATOM 669 CG1 ILE A 57 0.388 -2.871 -8.944 1.00 0.00 C ATOM 670 CG2 ILE A 57 1.396 -5.113 -9.421 1.00 0.00 C ATOM 671 CD1 ILE A 57 1.398 -1.844 -9.400 1.00 0.00 C ATOM 0 H ILE A 57 0.231 -2.927 -6.315 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.830 -5.088 -7.828 1.00 0.00 H new ATOM 0 HB ILE A 57 1.941 -3.829 -7.821 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.230 -3.164 -9.793 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.276 -2.416 -8.209 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.073 -4.640 -10.133 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.888 -5.976 -8.971 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.494 -5.439 -9.940 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.878 -0.984 -9.822 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.000 -1.523 -8.550 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.047 -2.283 -10.158 1.00 0.00 H new ATOM 683 N SER A 58 1.660 -5.647 -5.719 1.00 0.00 N ATOM 684 CA SER A 58 2.383 -6.697 -5.007 1.00 0.00 C ATOM 685 C SER A 58 1.408 -7.594 -4.252 1.00 0.00 C ATOM 686 O SER A 58 1.430 -8.818 -4.400 1.00 0.00 O ATOM 687 CB SER A 58 3.390 -6.081 -4.033 1.00 0.00 C ATOM 688 OG SER A 58 4.580 -5.700 -4.702 1.00 0.00 O ATOM 0 H SER A 58 1.908 -4.698 -5.440 1.00 0.00 H new ATOM 0 HA SER A 58 2.923 -7.301 -5.736 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.947 -5.211 -3.549 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.625 -6.798 -3.246 1.00 0.00 H new ATOM 0 HG SER A 58 5.206 -5.308 -4.058 1.00 0.00 H new ATOM 694 N ILE A 59 0.547 -6.977 -3.450 1.00 0.00 N ATOM 695 CA ILE A 59 -0.447 -7.712 -2.679 1.00 0.00 C ATOM 696 C ILE A 59 -1.344 -8.530 -3.602 1.00 0.00 C ATOM 697 O ILE A 59 -1.527 -9.734 -3.407 1.00 0.00 O ATOM 698 CB ILE A 59 -1.315 -6.759 -1.831 1.00 0.00 C ATOM 699 CG1 ILE A 59 -0.431 -5.907 -0.918 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.327 -7.545 -1.009 1.00 0.00 C ATOM 701 CD1 ILE A 59 -1.187 -4.821 -0.184 1.00 0.00 C ATOM 0 H ILE A 59 0.518 -5.966 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 59 0.090 -8.383 -2.009 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.860 -6.097 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.056 -6.555 -0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.358 -5.449 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.930 -6.856 -0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.975 -8.113 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.802 -8.230 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.497 -4.258 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.651 -4.149 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.958 -5.273 0.440 1.00 0.00 H new ATOM 713 N ASP A 60 -1.896 -7.868 -4.614 1.00 0.00 N ATOM 714 CA ASP A 60 -2.764 -8.535 -5.574 1.00 0.00 C ATOM 715 C ASP A 60 -2.014 -9.668 -6.263 1.00 0.00 C ATOM 716 O ASP A 60 -2.596 -10.702 -6.592 1.00 0.00 O ATOM 717 CB ASP A 60 -3.282 -7.539 -6.612 1.00 0.00 C ATOM 718 CG ASP A 60 -4.576 -6.877 -6.183 1.00 0.00 C ATOM 719 OD1 ASP A 60 -4.528 -5.993 -5.301 1.00 0.00 O ATOM 720 OD2 ASP A 60 -5.640 -7.242 -6.728 1.00 0.00 O ATOM 0 H ASP A 60 -1.757 -6.873 -4.789 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.617 -8.951 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.526 -6.773 -6.786 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.438 -8.054 -7.560 1.00 0.00 H new ATOM 725 N ALA A 61 -0.713 -9.472 -6.464 1.00 0.00 N ATOM 726 CA ALA A 61 0.119 -10.488 -7.097 1.00 0.00 C ATOM 727 C ALA A 61 0.045 -11.786 -6.307 1.00 0.00 C ATOM 728 O ALA A 61 -0.204 -12.858 -6.865 1.00 0.00 O ATOM 729 CB ALA A 61 1.559 -10.007 -7.201 1.00 0.00 C ATOM 0 H ALA A 61 -0.215 -8.622 -6.198 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.253 -10.670 -8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.167 -10.777 -7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.596 -9.096 -7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.947 -9.802 -6.203 1.00 0.00 H new ATOM 735 N LEU A 62 0.240 -11.681 -4.994 1.00 0.00 N ATOM 736 CA LEU A 62 0.173 -12.839 -4.122 1.00 0.00 C ATOM 737 C LEU A 62 -1.161 -13.545 -4.291 1.00 0.00 C ATOM 738 O LEU A 62 -1.203 -14.746 -4.544 1.00 0.00 O ATOM 739 CB LEU A 62 0.357 -12.420 -2.665 1.00 0.00 C ATOM 740 CG LEU A 62 1.800 -12.116 -2.272 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.986 -10.627 -2.015 1.00 0.00 C ATOM 742 CD2 LEU A 62 2.209 -12.927 -1.050 1.00 0.00 C ATOM 0 H LEU A 62 0.445 -10.804 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 62 0.976 -13.524 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.252 -11.536 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.022 -13.214 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 62 2.445 -12.402 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.022 -10.432 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.742 -10.069 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.327 -10.312 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.241 -12.694 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.557 -12.678 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.122 -13.990 -1.273 1.00 0.00 H new ATOM 754 N MET A 63 -2.249 -12.784 -4.165 1.00 0.00 N ATOM 755 CA MET A 63 -3.599 -13.329 -4.305 1.00 0.00 C ATOM 756 C MET A 63 -3.694 -14.250 -5.516 1.00 0.00 C ATOM 757 O MET A 63 -4.025 -15.428 -5.386 1.00 0.00 O ATOM 758 CB MET A 63 -4.617 -12.197 -4.442 1.00 0.00 C ATOM 759 CG MET A 63 -6.045 -12.629 -4.143 1.00 0.00 C ATOM 760 SD MET A 63 -6.800 -11.685 -2.804 1.00 0.00 S ATOM 761 CE MET A 63 -5.470 -11.669 -1.605 1.00 0.00 C ATOM 0 H MET A 63 -2.220 -11.784 -3.965 1.00 0.00 H new ATOM 0 HA MET A 63 -3.820 -13.908 -3.408 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.341 -11.387 -3.767 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.571 -11.797 -5.455 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.649 -12.518 -5.044 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.052 -13.688 -3.883 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.885 -11.754 -0.601 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.800 -12.508 -1.793 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.914 -10.735 -1.691 1.00 0.00 H new ATOM 771 N ALA A 64 -3.391 -13.712 -6.691 1.00 0.00 N ATOM 772 CA ALA A 64 -3.431 -14.499 -7.915 1.00 0.00 C ATOM 773 C ALA A 64 -2.476 -15.686 -7.821 1.00 0.00 C ATOM 774 O ALA A 64 -2.659 -16.699 -8.497 1.00 0.00 O ATOM 775 CB ALA A 64 -3.082 -13.631 -9.114 1.00 0.00 C ATOM 0 H ALA A 64 -3.116 -12.738 -6.821 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.443 -14.882 -8.046 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.116 -14.234 -10.022 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.800 -12.814 -9.193 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.080 -13.222 -8.988 1.00 0.00 H new ATOM 781 N LYS A 65 -1.462 -15.556 -6.969 1.00 0.00 N ATOM 782 CA LYS A 65 -0.483 -16.615 -6.772 1.00 0.00 C ATOM 783 C LYS A 65 -1.013 -17.659 -5.798 1.00 0.00 C ATOM 784 O LYS A 65 -0.658 -18.834 -5.870 1.00 0.00 O ATOM 785 CB LYS A 65 0.834 -16.032 -6.249 1.00 0.00 C ATOM 786 CG LYS A 65 1.876 -15.810 -7.334 1.00 0.00 C ATOM 787 CD LYS A 65 2.659 -14.528 -7.102 1.00 0.00 C ATOM 788 CE LYS A 65 3.360 -14.535 -5.752 1.00 0.00 C ATOM 789 NZ LYS A 65 4.826 -14.302 -5.884 1.00 0.00 N ATOM 0 H LYS A 65 -1.299 -14.723 -6.403 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.300 -17.095 -7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.630 -15.083 -5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.245 -16.703 -5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.562 -16.657 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.386 -15.767 -8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.397 -14.403 -7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.984 -13.674 -7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.926 -13.765 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.188 -15.492 -5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.189 -13.869 -5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.308 -15.209 -6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.005 -13.666 -6.687 1.00 0.00 H new ATOM 803 N ILE A 66 -1.860 -17.213 -4.879 1.00 0.00 N ATOM 804 CA ILE A 66 -2.434 -18.098 -3.876 1.00 0.00 C ATOM 805 C ILE A 66 -3.438 -19.061 -4.499 1.00 0.00 C ATOM 806 O ILE A 66 -3.495 -20.235 -4.136 1.00 0.00 O ATOM 807 CB ILE A 66 -3.138 -17.323 -2.742 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.493 -15.958 -2.518 1.00 0.00 C ATOM 809 CG2 ILE A 66 -3.106 -18.134 -1.462 1.00 0.00 C ATOM 810 CD1 ILE A 66 -1.019 -16.015 -2.175 1.00 0.00 C ATOM 0 H ILE A 66 -2.164 -16.242 -4.808 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.597 -18.654 -3.454 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.174 -17.158 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.622 -15.356 -3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.022 -15.447 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.605 -17.579 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.619 -19.083 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.071 -18.324 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.639 -15.003 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.881 -16.587 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.475 -16.495 -2.988 1.00 0.00 H new ATOM 822 N LYS A 67 -4.239 -18.549 -5.428 1.00 0.00 N ATOM 823 CA LYS A 67 -5.256 -19.356 -6.090 1.00 0.00 C ATOM 824 C LYS A 67 -4.772 -19.907 -7.433 1.00 0.00 C ATOM 825 O LYS A 67 -5.524 -20.587 -8.131 1.00 0.00 O ATOM 826 CB LYS A 67 -6.528 -18.529 -6.297 1.00 0.00 C ATOM 827 CG LYS A 67 -7.789 -19.221 -5.806 1.00 0.00 C ATOM 828 CD LYS A 67 -8.205 -18.714 -4.434 1.00 0.00 C ATOM 829 CE LYS A 67 -9.072 -19.728 -3.701 1.00 0.00 C ATOM 830 NZ LYS A 67 -10.472 -19.250 -3.542 1.00 0.00 N ATOM 0 H LYS A 67 -4.203 -17.578 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.469 -20.207 -5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.421 -17.576 -5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.637 -18.304 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.598 -19.054 -6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.621 -20.297 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.317 -18.498 -3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.752 -17.777 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.070 -20.670 -4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.644 -19.929 -2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.029 -19.969 -3.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.477 -18.364 -2.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.890 -19.082 -4.479 1.00 0.00 H new ATOM 844 N SER A 68 -3.525 -19.614 -7.801 1.00 0.00 N ATOM 845 CA SER A 68 -2.989 -20.095 -9.071 1.00 0.00 C ATOM 846 C SER A 68 -1.601 -20.706 -8.911 1.00 0.00 C ATOM 847 O SER A 68 -0.848 -20.818 -9.878 1.00 0.00 O ATOM 848 CB SER A 68 -2.945 -18.961 -10.095 1.00 0.00 C ATOM 849 OG SER A 68 -4.078 -18.119 -9.974 1.00 0.00 O ATOM 0 H SER A 68 -2.877 -19.055 -7.247 1.00 0.00 H new ATOM 0 HA SER A 68 -3.657 -20.879 -9.427 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.036 -18.375 -9.955 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.904 -19.377 -11.101 1.00 0.00 H new ATOM 0 HG SER A 68 -3.820 -17.286 -9.527 1.00 0.00 H new ATOM 855 N THR A 69 -1.271 -21.113 -7.693 1.00 0.00 N ATOM 856 CA THR A 69 0.025 -21.729 -7.412 1.00 0.00 C ATOM 857 C THR A 69 -0.023 -22.524 -6.112 1.00 0.00 C ATOM 858 O THR A 69 -1.077 -22.650 -5.487 1.00 0.00 O ATOM 859 CB THR A 69 1.146 -20.678 -7.331 1.00 0.00 C ATOM 860 OG1 THR A 69 1.316 -20.220 -6.001 1.00 0.00 O ATOM 861 CG2 THR A 69 0.922 -19.461 -8.206 1.00 0.00 C ATOM 0 H THR A 69 -1.882 -21.029 -6.880 1.00 0.00 H new ATOM 0 HA THR A 69 0.244 -22.405 -8.239 1.00 0.00 H new ATOM 0 HB THR A 69 2.033 -21.198 -7.693 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.767 -19.421 -5.857 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.757 -18.771 -8.090 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.850 -19.771 -9.249 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.002 -18.965 -7.910 1.00 0.00 H new ATOM 869 N MET A 70 1.128 -23.049 -5.707 1.00 0.00 N ATOM 870 CA MET A 70 1.227 -23.826 -4.478 1.00 0.00 C ATOM 871 C MET A 70 2.325 -23.265 -3.582 1.00 0.00 C ATOM 872 O MET A 70 2.999 -24.006 -2.866 1.00 0.00 O ATOM 873 CB MET A 70 1.510 -25.294 -4.797 1.00 0.00 C ATOM 874 CG MET A 70 1.281 -26.227 -3.618 1.00 0.00 C ATOM 875 SD MET A 70 -0.353 -26.990 -3.643 1.00 0.00 S ATOM 876 CE MET A 70 -0.014 -28.541 -2.815 1.00 0.00 C ATOM 0 H MET A 70 2.008 -22.950 -6.214 1.00 0.00 H new ATOM 0 HA MET A 70 0.275 -23.759 -3.951 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.875 -25.606 -5.626 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.542 -25.392 -5.132 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.042 -27.007 -3.624 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.403 -25.669 -2.689 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.930 -29.128 -2.752 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.736 -29.097 -3.377 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.359 -28.343 -1.810 1.00 0.00 H new ATOM 886 N MET A 71 2.501 -21.949 -3.632 1.00 0.00 N ATOM 887 CA MET A 71 3.519 -21.278 -2.832 1.00 0.00 C ATOM 888 C MET A 71 3.329 -21.572 -1.347 1.00 0.00 C ATOM 889 O MET A 71 2.209 -21.789 -0.884 1.00 0.00 O ATOM 890 CB MET A 71 3.473 -19.769 -3.075 1.00 0.00 C ATOM 891 CG MET A 71 4.231 -19.332 -4.319 1.00 0.00 C ATOM 892 SD MET A 71 5.733 -18.413 -3.933 1.00 0.00 S ATOM 893 CE MET A 71 5.085 -17.151 -2.839 1.00 0.00 C ATOM 0 H MET A 71 1.950 -21.324 -4.220 1.00 0.00 H new ATOM 0 HA MET A 71 4.494 -21.660 -3.136 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.433 -19.455 -3.164 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.888 -19.256 -2.207 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.490 -20.211 -4.909 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.580 -18.713 -4.937 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.782 -16.314 -2.796 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.123 -16.803 -3.215 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.955 -17.567 -1.840 1.00 0.00 H new ATOM 903 N THR A 72 4.432 -21.577 -0.607 1.00 0.00 N ATOM 904 CA THR A 72 4.391 -21.841 0.825 1.00 0.00 C ATOM 905 C THR A 72 3.986 -20.591 1.597 1.00 0.00 C ATOM 906 O THR A 72 4.357 -19.478 1.228 1.00 0.00 O ATOM 907 CB THR A 72 5.757 -22.331 1.312 1.00 0.00 C ATOM 908 OG1 THR A 72 6.344 -23.205 0.364 1.00 0.00 O ATOM 909 CG2 THR A 72 5.693 -23.063 2.634 1.00 0.00 C ATOM 0 H THR A 72 5.366 -21.401 -0.976 1.00 0.00 H new ATOM 0 HA THR A 72 3.646 -22.616 1.005 1.00 0.00 H new ATOM 0 HB THR A 72 6.357 -21.431 1.443 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.217 -23.506 0.693 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.694 -23.383 2.921 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.291 -22.398 3.399 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.047 -23.936 2.536 1.00 0.00 H new ATOM 917 N ARG A 73 3.224 -20.781 2.669 1.00 0.00 N ATOM 918 CA ARG A 73 2.774 -19.664 3.492 1.00 0.00 C ATOM 919 C ARG A 73 3.962 -18.830 3.963 1.00 0.00 C ATOM 920 O ARG A 73 3.849 -17.619 4.149 1.00 0.00 O ATOM 921 CB ARG A 73 1.981 -20.173 4.698 1.00 0.00 C ATOM 922 CG ARG A 73 0.727 -19.366 4.987 1.00 0.00 C ATOM 923 CD ARG A 73 -0.517 -20.051 4.444 1.00 0.00 C ATOM 924 NE ARG A 73 -1.645 -19.952 5.367 1.00 0.00 N ATOM 925 CZ ARG A 73 -1.798 -20.727 6.438 1.00 0.00 C ATOM 926 NH1 ARG A 73 -0.899 -21.659 6.726 1.00 0.00 N ATOM 927 NH2 ARG A 73 -2.853 -20.569 7.226 1.00 0.00 N ATOM 0 H ARG A 73 2.906 -21.696 2.988 1.00 0.00 H new ATOM 0 HA ARG A 73 2.125 -19.034 2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.702 -21.213 4.526 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.624 -20.157 5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.625 -19.224 6.063 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.821 -18.375 4.543 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.790 -19.602 3.489 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.297 -21.101 4.252 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.358 -19.247 5.179 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.084 -21.785 6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.022 -22.250 7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.547 -19.853 7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.970 -21.163 8.047 1.00 0.00 H new ATOM 941 N GLU A 74 5.105 -19.487 4.144 1.00 0.00 N ATOM 942 CA GLU A 74 6.318 -18.804 4.581 1.00 0.00 C ATOM 943 C GLU A 74 6.685 -17.695 3.602 1.00 0.00 C ATOM 944 O GLU A 74 6.987 -16.570 4.004 1.00 0.00 O ATOM 945 CB GLU A 74 7.473 -19.799 4.704 1.00 0.00 C ATOM 946 CG GLU A 74 8.715 -19.210 5.353 1.00 0.00 C ATOM 947 CD GLU A 74 9.534 -20.251 6.092 1.00 0.00 C ATOM 948 OE1 GLU A 74 8.972 -21.305 6.452 1.00 0.00 O ATOM 949 OE2 GLU A 74 10.742 -20.010 6.307 1.00 0.00 O ATOM 0 H GLU A 74 5.216 -20.490 3.995 1.00 0.00 H new ATOM 0 HA GLU A 74 6.131 -18.360 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.141 -20.658 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.732 -20.168 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.334 -18.742 4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.420 -18.424 6.048 1.00 0.00 H new ATOM 956 N GLN A 75 6.644 -18.019 2.313 1.00 0.00 N ATOM 957 CA GLN A 75 6.958 -17.048 1.274 1.00 0.00 C ATOM 958 C GLN A 75 6.015 -15.854 1.367 1.00 0.00 C ATOM 959 O GLN A 75 6.411 -14.713 1.127 1.00 0.00 O ATOM 960 CB GLN A 75 6.851 -17.694 -0.108 1.00 0.00 C ATOM 961 CG GLN A 75 8.159 -18.288 -0.604 1.00 0.00 C ATOM 962 CD GLN A 75 8.302 -19.757 -0.258 1.00 0.00 C ATOM 963 OE1 GLN A 75 7.886 -20.629 -1.020 1.00 0.00 O ATOM 964 NE2 GLN A 75 8.890 -20.037 0.899 1.00 0.00 N ATOM 0 H GLN A 75 6.397 -18.945 1.965 1.00 0.00 H new ATOM 0 HA GLN A 75 7.981 -16.702 1.420 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.094 -18.478 -0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.506 -16.947 -0.823 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.222 -18.166 -1.685 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.992 -17.734 -0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.220 -19.281 1.500 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.012 -21.008 1.187 1.00 0.00 H new ATOM 973 N ILE A 76 4.766 -16.130 1.731 1.00 0.00 N ATOM 974 CA ILE A 76 3.763 -15.085 1.875 1.00 0.00 C ATOM 975 C ILE A 76 4.075 -14.209 3.082 1.00 0.00 C ATOM 976 O ILE A 76 3.821 -13.005 3.073 1.00 0.00 O ATOM 977 CB ILE A 76 2.349 -15.679 2.036 1.00 0.00 C ATOM 978 CG1 ILE A 76 2.060 -16.684 0.915 1.00 0.00 C ATOM 979 CG2 ILE A 76 1.303 -14.573 2.056 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.879 -16.043 -0.447 1.00 0.00 C ATOM 0 H ILE A 76 4.426 -17.071 1.931 1.00 0.00 H new ATOM 0 HA ILE A 76 3.789 -14.483 0.966 1.00 0.00 H new ATOM 0 HB ILE A 76 2.301 -16.207 2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.879 -17.402 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.160 -17.245 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.312 -15.012 2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.501 -13.900 2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.347 -14.014 1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.678 -16.816 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.042 -15.346 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.787 -15.506 -0.720 1.00 0.00 H new ATOM 992 N GLN A 77 4.635 -14.826 4.120 1.00 0.00 N ATOM 993 CA GLN A 77 4.991 -14.106 5.336 1.00 0.00 C ATOM 994 C GLN A 77 6.031 -13.033 5.035 1.00 0.00 C ATOM 995 O GLN A 77 5.876 -11.875 5.425 1.00 0.00 O ATOM 996 CB GLN A 77 5.530 -15.076 6.390 1.00 0.00 C ATOM 997 CG GLN A 77 5.412 -14.555 7.813 1.00 0.00 C ATOM 998 CD GLN A 77 3.998 -14.131 8.164 1.00 0.00 C ATOM 999 OE1 GLN A 77 3.762 -12.995 8.576 1.00 0.00 O ATOM 1000 NE2 GLN A 77 3.049 -15.046 8.002 1.00 0.00 N ATOM 0 H GLN A 77 4.851 -15.823 4.142 1.00 0.00 H new ATOM 0 HA GLN A 77 4.094 -13.625 5.726 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.991 -16.020 6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.577 -15.288 6.175 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.738 -15.329 8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.084 -13.707 7.942 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.290 -15.975 7.658 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.079 -14.819 8.222 1.00 0.00 H new ATOM 1009 N LYS A 78 7.089 -13.419 4.332 1.00 0.00 N ATOM 1010 CA LYS A 78 8.142 -12.479 3.976 1.00 0.00 C ATOM 1011 C LYS A 78 7.588 -11.381 3.084 1.00 0.00 C ATOM 1012 O LYS A 78 7.907 -10.206 3.261 1.00 0.00 O ATOM 1013 CB LYS A 78 9.296 -13.200 3.276 1.00 0.00 C ATOM 1014 CG LYS A 78 10.384 -13.675 4.227 1.00 0.00 C ATOM 1015 CD LYS A 78 11.481 -12.632 4.387 1.00 0.00 C ATOM 1016 CE LYS A 78 12.851 -13.211 4.080 1.00 0.00 C ATOM 1017 NZ LYS A 78 13.852 -12.148 3.789 1.00 0.00 N ATOM 0 H LYS A 78 7.239 -14.371 3.999 1.00 0.00 H new ATOM 0 HA LYS A 78 8.524 -12.028 4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.901 -14.058 2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.737 -12.530 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.946 -13.896 5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.815 -14.604 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.284 -11.791 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.469 -12.244 5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.191 -13.807 4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.777 -13.884 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.773 -12.585 3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.541 -11.595 2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.942 -11.521 4.614 1.00 0.00 H new ATOM 1031 N GLU A 79 6.736 -11.762 2.136 1.00 0.00 N ATOM 1032 CA GLU A 79 6.128 -10.787 1.243 1.00 0.00 C ATOM 1033 C GLU A 79 5.378 -9.756 2.066 1.00 0.00 C ATOM 1034 O GLU A 79 5.382 -8.566 1.748 1.00 0.00 O ATOM 1035 CB GLU A 79 5.187 -11.470 0.248 1.00 0.00 C ATOM 1036 CG GLU A 79 5.907 -12.325 -0.782 1.00 0.00 C ATOM 1037 CD GLU A 79 5.416 -12.077 -2.195 1.00 0.00 C ATOM 1038 OE1 GLU A 79 5.122 -10.908 -2.523 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.324 -13.049 -2.972 1.00 0.00 O ATOM 0 H GLU A 79 6.455 -12.728 1.969 1.00 0.00 H new ATOM 0 HA GLU A 79 6.912 -10.292 0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.482 -12.094 0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.603 -10.708 -0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.977 -12.122 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.770 -13.378 -0.534 1.00 0.00 H new ATOM 1046 N TYR A 80 4.768 -10.215 3.155 1.00 0.00 N ATOM 1047 CA TYR A 80 4.060 -9.318 4.049 1.00 0.00 C ATOM 1048 C TYR A 80 5.066 -8.361 4.664 1.00 0.00 C ATOM 1049 O TYR A 80 4.779 -7.182 4.870 1.00 0.00 O ATOM 1050 CB TYR A 80 3.327 -10.095 5.147 1.00 0.00 C ATOM 1051 CG TYR A 80 2.126 -10.872 4.657 1.00 0.00 C ATOM 1052 CD1 TYR A 80 1.289 -10.358 3.673 1.00 0.00 C ATOM 1053 CD2 TYR A 80 1.826 -12.124 5.184 1.00 0.00 C ATOM 1054 CE1 TYR A 80 0.190 -11.068 3.229 1.00 0.00 C ATOM 1055 CE2 TYR A 80 0.729 -12.839 4.745 1.00 0.00 C ATOM 1056 CZ TYR A 80 -0.086 -12.307 3.769 1.00 0.00 C ATOM 1057 OH TYR A 80 -1.180 -13.017 3.332 1.00 0.00 O ATOM 0 H TYR A 80 4.752 -11.196 3.434 1.00 0.00 H new ATOM 0 HA TYR A 80 3.310 -8.765 3.484 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.027 -10.786 5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.004 -9.396 5.918 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.501 -9.388 3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 80 2.462 -12.544 5.949 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.450 -10.655 2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.511 -13.810 5.164 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.088 -13.956 3.597 1.00 0.00 H new ATOM 1067 N ASP A 81 6.267 -8.880 4.929 1.00 0.00 N ATOM 1068 CA ASP A 81 7.334 -8.070 5.491 1.00 0.00 C ATOM 1069 C ASP A 81 7.822 -7.063 4.460 1.00 0.00 C ATOM 1070 O ASP A 81 8.123 -5.917 4.795 1.00 0.00 O ATOM 1071 CB ASP A 81 8.493 -8.952 5.960 1.00 0.00 C ATOM 1072 CG ASP A 81 8.393 -9.304 7.432 1.00 0.00 C ATOM 1073 OD1 ASP A 81 7.260 -9.358 7.953 1.00 0.00 O ATOM 1074 OD2 ASP A 81 9.449 -9.526 8.061 1.00 0.00 O ATOM 0 H ASP A 81 6.518 -9.854 4.762 1.00 0.00 H new ATOM 0 HA ASP A 81 6.942 -7.532 6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.510 -9.869 5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.436 -8.437 5.776 1.00 0.00 H new ATOM 1079 N ALA A 82 7.875 -7.484 3.196 1.00 0.00 N ATOM 1080 CA ALA A 82 8.303 -6.592 2.130 1.00 0.00 C ATOM 1081 C ALA A 82 7.350 -5.410 2.040 1.00 0.00 C ATOM 1082 O ALA A 82 7.756 -4.282 1.755 1.00 0.00 O ATOM 1083 CB ALA A 82 8.370 -7.335 0.804 1.00 0.00 C ATOM 0 H ALA A 82 7.629 -8.426 2.892 1.00 0.00 H new ATOM 0 HA ALA A 82 9.303 -6.222 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.692 -6.650 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.081 -8.157 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.384 -7.731 0.558 1.00 0.00 H new ATOM 1089 N LEU A 83 6.078 -5.681 2.310 1.00 0.00 N ATOM 1090 CA LEU A 83 5.055 -4.648 2.286 1.00 0.00 C ATOM 1091 C LEU A 83 5.143 -3.796 3.546 1.00 0.00 C ATOM 1092 O LEU A 83 4.826 -2.608 3.526 1.00 0.00 O ATOM 1093 CB LEU A 83 3.664 -5.276 2.170 1.00 0.00 C ATOM 1094 CG LEU A 83 3.446 -6.136 0.925 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.162 -6.940 1.051 1.00 0.00 C ATOM 1096 CD2 LEU A 83 3.413 -5.267 -0.324 1.00 0.00 C ATOM 0 H LEU A 83 5.732 -6.611 2.548 1.00 0.00 H new ATOM 0 HA LEU A 83 5.222 -4.012 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.484 -5.889 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.920 -4.479 2.178 1.00 0.00 H new ATOM 0 HG LEU A 83 4.280 -6.833 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.023 -7.546 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.224 -7.590 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.317 -6.261 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.257 -5.896 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.599 -4.547 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.359 -4.735 -0.423 1.00 0.00 H new ATOM 1108 N VAL A 84 5.590 -4.411 4.642 1.00 0.00 N ATOM 1109 CA VAL A 84 5.732 -3.698 5.902 1.00 0.00 C ATOM 1110 C VAL A 84 6.851 -2.666 5.806 1.00 0.00 C ATOM 1111 O VAL A 84 6.758 -1.579 6.377 1.00 0.00 O ATOM 1112 CB VAL A 84 6.024 -4.665 7.070 1.00 0.00 C ATOM 1113 CG1 VAL A 84 6.178 -3.902 8.378 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.924 -5.712 7.183 1.00 0.00 C ATOM 0 H VAL A 84 5.857 -5.395 4.678 1.00 0.00 H new ATOM 0 HA VAL A 84 4.786 -3.194 6.100 1.00 0.00 H new ATOM 0 HB VAL A 84 6.965 -5.176 6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.383 -4.604 9.187 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.004 -3.196 8.292 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.257 -3.359 8.593 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.146 -6.385 8.011 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.969 -5.218 7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.869 -6.283 6.256 1.00 0.00 H new ATOM 1124 N LYS A 85 7.904 -3.011 5.069 1.00 0.00 N ATOM 1125 CA LYS A 85 9.034 -2.111 4.888 1.00 0.00 C ATOM 1126 C LYS A 85 8.658 -0.957 3.967 1.00 0.00 C ATOM 1127 O LYS A 85 8.889 0.211 4.286 1.00 0.00 O ATOM 1128 CB LYS A 85 10.233 -2.869 4.313 1.00 0.00 C ATOM 1129 CG LYS A 85 11.564 -2.176 4.557 1.00 0.00 C ATOM 1130 CD LYS A 85 11.832 -1.988 6.041 1.00 0.00 C ATOM 1131 CE LYS A 85 13.278 -2.299 6.391 1.00 0.00 C ATOM 1132 NZ LYS A 85 13.426 -2.726 7.809 1.00 0.00 N ATOM 0 H LYS A 85 7.996 -3.906 4.589 1.00 0.00 H new ATOM 0 HA LYS A 85 9.307 -1.706 5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.266 -3.866 4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.091 -2.997 3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.368 -2.763 4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.566 -1.206 4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.600 -0.962 6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.170 -2.636 6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.649 -3.086 5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.893 -1.417 6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.426 -2.929 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.095 -1.966 8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.860 -3.582 7.975 1.00 0.00 H new ATOM 1146 N SER A 86 8.067 -1.294 2.828 1.00 0.00 N ATOM 1147 CA SER A 86 7.647 -0.289 1.858 1.00 0.00 C ATOM 1148 C SER A 86 6.529 0.573 2.432 1.00 0.00 C ATOM 1149 O SER A 86 6.530 1.795 2.282 1.00 0.00 O ATOM 1150 CB SER A 86 7.182 -0.956 0.562 1.00 0.00 C ATOM 1151 OG SER A 86 8.016 -2.052 0.226 1.00 0.00 O ATOM 0 H SER A 86 7.867 -2.256 2.552 1.00 0.00 H new ATOM 0 HA SER A 86 8.502 0.349 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.153 -1.298 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.189 -0.227 -0.249 1.00 0.00 H new ATOM 0 HG SER A 86 7.734 -2.844 0.729 1.00 0.00 H new ATOM 1157 N SER A 87 5.578 -0.076 3.094 1.00 0.00 N ATOM 1158 CA SER A 87 4.456 0.627 3.700 1.00 0.00 C ATOM 1159 C SER A 87 4.946 1.588 4.776 1.00 0.00 C ATOM 1160 O SER A 87 4.532 2.745 4.823 1.00 0.00 O ATOM 1161 CB SER A 87 3.462 -0.368 4.299 1.00 0.00 C ATOM 1162 OG SER A 87 4.051 -1.104 5.358 1.00 0.00 O ATOM 0 H SER A 87 5.562 -1.088 3.224 1.00 0.00 H new ATOM 0 HA SER A 87 3.952 1.201 2.922 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.586 0.166 4.667 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.117 -1.053 3.524 1.00 0.00 H new ATOM 0 HG SER A 87 4.812 -1.618 5.016 1.00 0.00 H new ATOM 1168 N GLU A 88 5.834 1.099 5.637 1.00 0.00 N ATOM 1169 CA GLU A 88 6.388 1.915 6.710 1.00 0.00 C ATOM 1170 C GLU A 88 7.031 3.176 6.148 1.00 0.00 C ATOM 1171 O GLU A 88 6.883 4.266 6.702 1.00 0.00 O ATOM 1172 CB GLU A 88 7.415 1.116 7.512 1.00 0.00 C ATOM 1173 CG GLU A 88 6.811 0.322 8.659 1.00 0.00 C ATOM 1174 CD GLU A 88 6.173 1.211 9.710 1.00 0.00 C ATOM 1175 OE1 GLU A 88 6.916 1.948 10.393 1.00 0.00 O ATOM 1176 OE2 GLU A 88 4.933 1.169 9.848 1.00 0.00 O ATOM 0 H GLU A 88 6.185 0.141 5.612 1.00 0.00 H new ATOM 0 HA GLU A 88 5.573 2.206 7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.934 0.431 6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.164 1.800 7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.062 -0.365 8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.587 -0.285 9.124 1.00 0.00 H new ATOM 1183 N ASP A 89 7.741 3.020 5.037 1.00 0.00 N ATOM 1184 CA ASP A 89 8.402 4.143 4.388 1.00 0.00 C ATOM 1185 C ASP A 89 7.375 5.121 3.824 1.00 0.00 C ATOM 1186 O ASP A 89 7.611 6.329 3.777 1.00 0.00 O ATOM 1187 CB ASP A 89 9.320 3.645 3.269 1.00 0.00 C ATOM 1188 CG ASP A 89 10.774 3.584 3.696 1.00 0.00 C ATOM 1189 OD1 ASP A 89 11.333 4.642 4.054 1.00 0.00 O ATOM 1190 OD2 ASP A 89 11.353 2.478 3.674 1.00 0.00 O ATOM 0 H ASP A 89 7.873 2.124 4.567 1.00 0.00 H new ATOM 0 HA ASP A 89 9.003 4.663 5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.996 2.654 2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.225 4.303 2.405 1.00 0.00 H new ATOM 1195 N LEU A 90 6.233 4.587 3.399 1.00 0.00 N ATOM 1196 CA LEU A 90 5.166 5.410 2.840 1.00 0.00 C ATOM 1197 C LEU A 90 4.613 6.372 3.884 1.00 0.00 C ATOM 1198 O LEU A 90 4.463 7.565 3.625 1.00 0.00 O ATOM 1199 CB LEU A 90 4.044 4.523 2.295 1.00 0.00 C ATOM 1200 CG LEU A 90 2.820 5.275 1.768 1.00 0.00 C ATOM 1201 CD1 LEU A 90 2.190 4.519 0.608 1.00 0.00 C ATOM 1202 CD2 LEU A 90 1.807 5.486 2.883 1.00 0.00 C ATOM 0 H LEU A 90 6.023 3.589 3.431 1.00 0.00 H new ATOM 0 HA LEU A 90 5.584 5.998 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.447 3.907 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.722 3.845 3.085 1.00 0.00 H new ATOM 0 HG LEU A 90 3.142 6.251 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.321 5.068 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.917 4.417 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.880 3.530 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.942 6.022 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.489 4.519 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.263 6.068 3.684 1.00 0.00 H new ATOM 1214 N LEU A 91 4.321 5.847 5.069 1.00 0.00 N ATOM 1215 CA LEU A 91 3.794 6.667 6.155 1.00 0.00 C ATOM 1216 C LEU A 91 4.792 7.754 6.514 1.00 0.00 C ATOM 1217 O LEU A 91 4.457 8.938 6.551 1.00 0.00 O ATOM 1218 CB LEU A 91 3.495 5.819 7.393 1.00 0.00 C ATOM 1219 CG LEU A 91 2.935 4.429 7.104 1.00 0.00 C ATOM 1220 CD1 LEU A 91 2.840 3.616 8.386 1.00 0.00 C ATOM 1221 CD2 LEU A 91 1.575 4.531 6.430 1.00 0.00 C ATOM 0 H LEU A 91 4.440 4.861 5.302 1.00 0.00 H new ATOM 0 HA LEU A 91 2.863 7.120 5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.413 5.711 7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.784 6.357 8.020 1.00 0.00 H new ATOM 0 HG LEU A 91 3.616 3.917 6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.439 2.628 8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.832 3.513 8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.181 4.123 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.191 3.530 6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.883 5.062 7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.674 5.074 5.490 1.00 0.00 H new ATOM 1233 N SER A 92 6.025 7.337 6.770 1.00 0.00 N ATOM 1234 CA SER A 92 7.091 8.268 7.119 1.00 0.00 C ATOM 1235 C SER A 92 7.228 9.348 6.050 1.00 0.00 C ATOM 1236 O SER A 92 7.458 10.518 6.357 1.00 0.00 O ATOM 1237 CB SER A 92 8.417 7.524 7.285 1.00 0.00 C ATOM 1238 OG SER A 92 8.350 6.593 8.351 1.00 0.00 O ATOM 0 H SER A 92 6.312 6.359 6.743 1.00 0.00 H new ATOM 0 HA SER A 92 6.834 8.743 8.066 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.664 7.004 6.359 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.218 8.239 7.473 1.00 0.00 H new ATOM 0 HG SER A 92 7.927 5.766 8.037 1.00 0.00 H new ATOM 1244 N ALA A 93 7.074 8.945 4.792 1.00 0.00 N ATOM 1245 CA ALA A 93 7.167 9.874 3.676 1.00 0.00 C ATOM 1246 C ALA A 93 5.984 10.834 3.677 1.00 0.00 C ATOM 1247 O ALA A 93 6.122 12.011 3.341 1.00 0.00 O ATOM 1248 CB ALA A 93 7.232 9.114 2.359 1.00 0.00 C ATOM 0 H ALA A 93 6.884 7.980 4.522 1.00 0.00 H new ATOM 0 HA ALA A 93 8.082 10.456 3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.301 9.822 1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.108 8.466 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.333 8.509 2.243 1.00 0.00 H new ATOM 1254 N LEU A 94 4.820 10.323 4.064 1.00 0.00 N ATOM 1255 CA LEU A 94 3.609 11.130 4.118 1.00 0.00 C ATOM 1256 C LEU A 94 3.725 12.206 5.190 1.00 0.00 C ATOM 1257 O LEU A 94 3.449 13.379 4.940 1.00 0.00 O ATOM 1258 CB LEU A 94 2.392 10.244 4.392 1.00 0.00 C ATOM 1259 CG LEU A 94 1.117 10.653 3.655 1.00 0.00 C ATOM 1260 CD1 LEU A 94 1.294 10.494 2.152 1.00 0.00 C ATOM 1261 CD2 LEU A 94 -0.066 9.829 4.144 1.00 0.00 C ATOM 0 H LEU A 94 4.691 9.351 4.345 1.00 0.00 H new ATOM 0 HA LEU A 94 3.481 11.618 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.639 9.218 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.192 10.248 5.463 1.00 0.00 H new ATOM 0 HG LEU A 94 0.918 11.703 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.376 10.790 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.116 11.125 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.517 9.453 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.966 10.132 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.126 8.772 3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.206 9.992 5.213 1.00 0.00 H new ATOM 1273 N GLN A 95 4.137 11.795 6.385 1.00 0.00 N ATOM 1274 CA GLN A 95 4.294 12.722 7.501 1.00 0.00 C ATOM 1275 C GLN A 95 5.233 13.859 7.125 1.00 0.00 C ATOM 1276 O GLN A 95 4.915 15.032 7.320 1.00 0.00 O ATOM 1277 CB GLN A 95 4.822 11.990 8.737 1.00 0.00 C ATOM 1278 CG GLN A 95 3.960 10.811 9.160 1.00 0.00 C ATOM 1279 CD GLN A 95 2.680 11.244 9.849 1.00 0.00 C ATOM 1280 OE1 GLN A 95 2.682 12.163 10.666 1.00 0.00 O ATOM 1281 NE2 GLN A 95 1.578 10.580 9.519 1.00 0.00 N ATOM 0 H GLN A 95 4.368 10.826 6.606 1.00 0.00 H new ATOM 0 HA GLN A 95 3.316 13.142 7.735 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.833 11.636 8.535 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.890 12.695 9.565 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.712 10.213 8.283 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.531 10.170 9.832 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.623 9.824 8.836 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.686 10.826 9.949 1.00 0.00 H new ATOM 1290 N LYS A 96 6.385 13.512 6.567 1.00 0.00 N ATOM 1291 CA LYS A 96 7.349 14.518 6.144 1.00 0.00 C ATOM 1292 C LYS A 96 6.740 15.385 5.049 1.00 0.00 C ATOM 1293 O LYS A 96 7.092 16.555 4.897 1.00 0.00 O ATOM 1294 CB LYS A 96 8.633 13.855 5.644 1.00 0.00 C ATOM 1295 CG LYS A 96 8.423 12.953 4.441 1.00 0.00 C ATOM 1296 CD LYS A 96 9.746 12.487 3.856 1.00 0.00 C ATOM 1297 CE LYS A 96 9.591 12.051 2.408 1.00 0.00 C ATOM 1298 NZ LYS A 96 10.737 12.496 1.567 1.00 0.00 N ATOM 0 H LYS A 96 6.673 12.548 6.398 1.00 0.00 H new ATOM 0 HA LYS A 96 7.600 15.146 6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.355 14.630 5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.069 13.271 6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.828 12.088 4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.855 13.487 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.477 13.293 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.135 11.658 4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.508 10.965 2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.664 12.458 2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.592 12.179 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.801 13.534 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.619 12.087 1.937 1.00 0.00 H new ATOM 1312 N LYS A 97 5.819 14.797 4.287 1.00 0.00 N ATOM 1313 CA LYS A 97 5.147 15.499 3.201 1.00 0.00 C ATOM 1314 C LYS A 97 4.231 16.600 3.726 1.00 0.00 C ATOM 1315 O LYS A 97 4.345 17.758 3.325 1.00 0.00 O ATOM 1316 CB LYS A 97 4.336 14.514 2.360 1.00 0.00 C ATOM 1317 CG LYS A 97 4.203 14.928 0.905 1.00 0.00 C ATOM 1318 CD LYS A 97 4.047 13.719 -0.003 1.00 0.00 C ATOM 1319 CE LYS A 97 5.239 13.560 -0.934 1.00 0.00 C ATOM 1320 NZ LYS A 97 4.925 14.009 -2.318 1.00 0.00 N ATOM 0 H LYS A 97 5.521 13.829 4.405 1.00 0.00 H new ATOM 0 HA LYS A 97 5.916 15.963 2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.807 13.532 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.341 14.412 2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.341 15.585 0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.082 15.499 0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.936 12.820 0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.136 13.821 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.081 14.135 -0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.549 12.515 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.800 14.045 -2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.260 13.341 -2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.494 14.955 -2.287 1.00 0.00 H new ATOM 1334 N LYS A 98 3.308 16.232 4.610 1.00 0.00 N ATOM 1335 CA LYS A 98 2.362 17.198 5.166 1.00 0.00 C ATOM 1336 C LYS A 98 3.075 18.292 5.956 1.00 0.00 C ATOM 1337 O LYS A 98 2.746 19.471 5.827 1.00 0.00 O ATOM 1338 CB LYS A 98 1.314 16.513 6.051 1.00 0.00 C ATOM 1339 CG LYS A 98 1.841 15.344 6.868 1.00 0.00 C ATOM 1340 CD LYS A 98 1.126 14.051 6.512 1.00 0.00 C ATOM 1341 CE LYS A 98 0.069 13.695 7.545 1.00 0.00 C ATOM 1342 NZ LYS A 98 -0.655 12.442 7.194 1.00 0.00 N ATOM 0 H LYS A 98 3.194 15.279 4.956 1.00 0.00 H new ATOM 0 HA LYS A 98 1.852 17.660 4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.892 17.253 6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.499 16.159 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.911 15.230 6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.711 15.553 7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.659 14.150 5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.852 13.241 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.540 13.580 8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.645 14.514 7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.190 12.107 8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.312 12.629 6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.030 11.714 6.907 1.00 0.00 H new ATOM 1356 N GLN A 99 4.044 17.903 6.778 1.00 0.00 N ATOM 1357 CA GLN A 99 4.785 18.869 7.585 1.00 0.00 C ATOM 1358 C GLN A 99 5.624 19.791 6.704 1.00 0.00 C ATOM 1359 O GLN A 99 5.846 20.952 7.046 1.00 0.00 O ATOM 1360 CB GLN A 99 5.678 18.152 8.599 1.00 0.00 C ATOM 1361 CG GLN A 99 6.756 17.293 7.964 1.00 0.00 C ATOM 1362 CD GLN A 99 8.147 17.631 8.467 1.00 0.00 C ATOM 1363 OE1 GLN A 99 9.049 17.926 7.684 1.00 0.00 O ATOM 1364 NE2 GLN A 99 8.326 17.589 9.782 1.00 0.00 N ATOM 0 H GLN A 99 4.334 16.933 6.903 1.00 0.00 H new ATOM 0 HA GLN A 99 4.060 19.478 8.125 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.150 18.894 9.243 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.056 17.525 9.238 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.545 16.243 8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.725 17.419 6.882 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.550 17.339 10.395 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.240 17.806 10.180 1.00 0.00 H new ATOM 1373 N GLN A 100 6.082 19.273 5.569 1.00 0.00 N ATOM 1374 CA GLN A 100 6.892 20.061 4.645 1.00 0.00 C ATOM 1375 C GLN A 100 6.016 21.001 3.825 1.00 0.00 C ATOM 1376 O GLN A 100 6.264 22.206 3.770 1.00 0.00 O ATOM 1377 CB GLN A 100 7.686 19.143 3.712 1.00 0.00 C ATOM 1378 CG GLN A 100 9.036 18.728 4.272 1.00 0.00 C ATOM 1379 CD GLN A 100 9.467 17.350 3.804 1.00 0.00 C ATOM 1380 OE1 GLN A 100 10.036 16.573 4.570 1.00 0.00 O ATOM 1381 NE2 GLN A 100 9.200 17.041 2.539 1.00 0.00 N ATOM 0 H GLN A 100 5.907 18.315 5.267 1.00 0.00 H new ATOM 0 HA GLN A 100 7.590 20.658 5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 100 7.097 18.249 3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.838 19.650 2.759 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.788 19.459 3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.992 18.740 5.361 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.726 17.716 1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.469 16.129 2.169 1.00 0.00 H new ATOM 1390 N GLU A 101 4.991 20.443 3.190 1.00 0.00 N ATOM 1391 CA GLU A 101 4.074 21.231 2.374 1.00 0.00 C ATOM 1392 C GLU A 101 3.132 22.047 3.253 1.00 0.00 C ATOM 1393 O GLU A 101 1.980 21.668 3.464 1.00 0.00 O ATOM 1394 CB GLU A 101 3.268 20.316 1.450 1.00 0.00 C ATOM 1395 CG GLU A 101 4.035 19.874 0.215 1.00 0.00 C ATOM 1396 CD GLU A 101 4.315 21.020 -0.738 1.00 0.00 C ATOM 1397 OE1 GLU A 101 3.369 21.773 -1.054 1.00 0.00 O ATOM 1398 OE2 GLU A 101 5.478 21.165 -1.166 1.00 0.00 O ATOM 0 H GLU A 101 4.774 19.447 3.225 1.00 0.00 H new ATOM 0 HA GLU A 101 4.663 21.919 1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.955 19.434 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.361 20.835 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.978 19.421 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.466 19.104 -0.306 1.00 0.00 H new ATOM 1405 N GLU A 102 3.629 23.170 3.760 1.00 0.00 N ATOM 1406 CA GLU A 102 2.834 24.041 4.616 1.00 0.00 C ATOM 1407 C GLU A 102 3.196 25.505 4.390 1.00 0.00 C ATOM 1408 O GLU A 102 2.319 26.355 4.240 1.00 0.00 O ATOM 1409 CB GLU A 102 3.043 23.673 6.087 1.00 0.00 C ATOM 1410 CG GLU A 102 2.492 22.304 6.455 1.00 0.00 C ATOM 1411 CD GLU A 102 1.934 22.259 7.864 1.00 0.00 C ATOM 1412 OE1 GLU A 102 2.734 22.145 8.815 1.00 0.00 O ATOM 1413 OE2 GLU A 102 0.696 22.338 8.016 1.00 0.00 O ATOM 0 H GLU A 102 4.580 23.498 3.592 1.00 0.00 H new ATOM 0 HA GLU A 102 1.784 23.902 4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.109 23.699 6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.567 24.428 6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.708 22.030 5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.283 21.560 6.357 1.00 0.00 H new ATOM 1420 N GLU A 103 4.493 25.792 4.367 1.00 0.00 N ATOM 1421 CA GLU A 103 4.972 27.152 4.158 1.00 0.00 C ATOM 1422 C GLU A 103 6.126 27.176 3.161 1.00 0.00 C ATOM 1423 O GLU A 103 6.058 27.844 2.131 1.00 0.00 O ATOM 1424 CB GLU A 103 5.418 27.770 5.484 1.00 0.00 C ATOM 1425 CG GLU A 103 4.325 27.794 6.541 1.00 0.00 C ATOM 1426 CD GLU A 103 4.853 27.495 7.931 1.00 0.00 C ATOM 1427 OE1 GLU A 103 5.365 26.375 8.143 1.00 0.00 O ATOM 1428 OE2 GLU A 103 4.751 28.379 8.808 1.00 0.00 O ATOM 0 H GLU A 103 5.232 25.100 4.491 1.00 0.00 H new ATOM 0 HA GLU A 103 4.149 27.739 3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.271 27.210 5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.760 28.789 5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.846 28.773 6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.558 27.064 6.282 1.00 0.00 H new TER 1435 GLU A 103