USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 6 LYS NZ :NH3+ -174:sc= 0.503 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 180:sc= 0.455 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc=-0.00813 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 174:sc=-0.00889 (180deg=-0.0202) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.26 (180deg=0.952) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 1.15 (180deg=0.848) USER MOD Single : A 14 THR OG1 : rot 48:sc= 0.0219 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.329 K(o=0.33,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= 1.03 (180deg=0.887) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0.621 (180deg=0.568) USER MOD Single : A 31 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.91) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.08 K(o=1.1,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 55 THR OG1 : rot -49:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= -0.0265 USER MOD Single : A 60 ASN : amide:sc=-0.00204 K(o=-0.002,f=-0.97) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 74:sc= 0.971 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.636 -7.138 -4.901 1.00 9.67 N ATOM 2 CA MET A 1 11.412 -7.820 -3.554 1.00 10.38 C ATOM 3 C MET A 1 9.944 -8.020 -3.242 1.00 9.62 C ATOM 4 O MET A 1 9.006 -7.377 -3.675 1.00 9.62 O ATOM 5 CB MET A 1 12.072 -7.103 -2.402 1.00 13.77 C ATOM 6 CG MET A 1 11.400 -5.700 -2.128 1.00 16.29 C ATOM 7 SD MET A 1 12.457 -4.475 -1.360 1.00 17.17 S ATOM 8 CE MET A 1 11.157 -3.273 -1.387 1.00 16.11 C ATOM 0 H1 MET A 1 12.634 -6.856 -4.986 1.00 9.67 H new ATOM 0 H2 MET A 1 11.396 -7.798 -5.668 1.00 9.67 H new ATOM 0 H3 MET A 1 11.031 -6.294 -4.968 1.00 9.67 H new ATOM 0 HA MET A 1 11.888 -8.795 -3.661 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.008 -7.719 -1.505 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.131 -6.964 -2.618 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.038 -5.299 -3.075 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.528 -5.852 -1.492 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.479 -2.377 -0.857 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.919 -3.018 -2.420 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.272 -3.683 -0.901 1.00 16.11 H new ATOM 20 N GLN A 2 9.614 -9.043 -2.460 1.00 9.27 N ATOM 21 CA GLN A 2 8.289 -9.142 -1.751 1.00 9.07 C ATOM 22 C GLN A 2 8.077 -8.119 -0.663 1.00 8.72 C ATOM 23 O GLN A 2 8.940 -7.666 0.089 1.00 8.22 O ATOM 24 CB GLN A 2 8.163 -10.604 -1.237 1.00 14.46 C ATOM 25 CG GLN A 2 6.713 -10.928 -0.721 1.00 17.01 C ATOM 26 CD GLN A 2 6.577 -12.410 -0.392 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.305 -12.982 0.637 1.00 21.89 O flip ATOM 28 NE2 GLN A 2 5.797 -13.041 -1.058 1.00 19.49 N flip ATOM 0 H GLN A 2 10.234 -9.834 -2.284 1.00 9.27 H new ATOM 0 HA GLN A 2 7.492 -8.904 -2.455 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.424 -11.294 -2.040 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.879 -10.767 -0.431 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.495 -10.332 0.165 1.00 17.01 H new ATOM 0 HG3 GLN A 2 5.981 -10.650 -1.479 1.00 17.01 H new ATOM 0 HE21 GLN A 2 5.279 -12.583 -1.808 1.00 19.49 H new ATOM 0 HE22 GLN A 2 5.654 -14.034 -0.872 1.00 19.49 H new ATOM 37 N ILE A 3 6.823 -7.681 -0.537 1.00 5.87 N ATOM 38 CA ILE A 3 6.323 -6.925 0.621 1.00 5.07 C ATOM 39 C ILE A 3 5.008 -7.580 1.114 1.00 4.01 C ATOM 40 O ILE A 3 4.278 -8.153 0.288 1.00 4.61 O ATOM 41 CB ILE A 3 6.123 -5.444 0.325 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.141 -5.226 -0.906 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.535 -4.765 0.192 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.761 -3.771 -1.146 1.00 10.83 C ATOM 0 H ILE A 3 6.110 -7.843 -1.248 1.00 5.87 H new ATOM 0 HA ILE A 3 7.079 -6.967 1.405 1.00 5.07 H new ATOM 0 HB ILE A 3 5.613 -4.944 1.149 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.611 -5.621 -1.807 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.233 -5.805 -0.740 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.410 -3.703 -0.020 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.086 -4.886 1.125 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.089 -5.234 -0.621 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.090 -3.707 -2.002 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.261 -3.375 -0.262 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.660 -3.188 -1.346 1.00 10.83 H new ATOM 56 N PHE A 4 4.702 -7.406 2.435 1.00 4.55 N ATOM 57 CA PHE A 4 3.495 -7.967 3.064 1.00 4.68 C ATOM 58 C PHE A 4 2.521 -6.793 3.242 1.00 5.30 C ATOM 59 O PHE A 4 2.818 -5.728 3.731 1.00 5.58 O ATOM 60 CB PHE A 4 3.803 -8.680 4.436 1.00 4.83 C ATOM 61 CG PHE A 4 4.197 -10.168 4.323 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.492 -10.585 4.025 1.00 8.34 C ATOM 63 CD2 PHE A 4 3.187 -11.168 4.404 1.00 6.69 C ATOM 64 CE1 PHE A 4 5.878 -11.930 3.931 1.00 10.61 C ATOM 65 CE2 PHE A 4 3.519 -12.504 4.304 1.00 9.10 C ATOM 66 CZ PHE A 4 4.831 -12.845 4.027 1.00 8.90 C ATOM 0 H PHE A 4 5.289 -6.875 3.078 1.00 4.55 H new ATOM 0 HA PHE A 4 3.066 -8.747 2.435 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.610 -8.143 4.934 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.924 -8.600 5.075 1.00 4.83 H new ATOM 0 HD1 PHE A 4 6.243 -9.828 3.856 1.00 8.34 H new ATOM 0 HD2 PHE A 4 2.156 -10.880 4.544 1.00 6.69 H new ATOM 0 HE1 PHE A 4 6.906 -12.233 3.795 1.00 10.61 H new ATOM 0 HE2 PHE A 4 2.769 -13.269 4.439 1.00 9.10 H new ATOM 0 HZ PHE A 4 5.059 -13.890 3.875 1.00 8.90 H new ATOM 76 N VAL A 5 1.246 -7.021 2.860 1.00 4.44 N ATOM 77 CA VAL A 5 0.206 -6.101 3.120 1.00 3.87 C ATOM 78 C VAL A 5 -0.750 -6.771 4.039 1.00 4.93 C ATOM 79 O VAL A 5 -1.351 -7.777 3.791 1.00 6.84 O ATOM 80 CB VAL A 5 -0.584 -5.809 1.825 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.739 -4.853 2.133 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.473 -5.171 0.859 1.00 9.13 C ATOM 0 H VAL A 5 0.946 -7.860 2.364 1.00 4.44 H new ATOM 0 HA VAL A 5 0.627 -5.182 3.527 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.037 -6.695 1.380 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.295 -4.648 1.218 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.403 -5.309 2.867 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.342 -3.920 2.533 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.002 -4.930 -0.092 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.872 -4.261 1.306 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.285 -5.878 0.690 1.00 9.13 H new ATOM 92 N LYS A 6 -0.960 -6.149 5.232 1.00 6.04 N ATOM 93 CA LYS A 6 -1.811 -6.694 6.261 1.00 6.12 C ATOM 94 C LYS A 6 -3.100 -5.894 6.207 1.00 6.57 C ATOM 95 O LYS A 6 -3.086 -4.680 6.238 1.00 5.76 O ATOM 96 CB LYS A 6 -1.126 -6.548 7.638 1.00 7.45 C ATOM 97 CG LYS A 6 -1.718 -7.392 8.712 1.00 11.12 C ATOM 98 CD LYS A 6 -1.272 -8.935 8.632 1.00 14.54 C ATOM 99 CE LYS A 6 -1.939 -9.840 9.695 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.480 -11.268 9.658 1.00 20.55 N ATOM 0 H LYS A 6 -0.532 -5.257 5.481 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.007 -7.756 6.110 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.071 -6.801 7.534 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.174 -5.503 7.945 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.429 -6.988 9.682 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.805 -7.332 8.653 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.511 -9.320 7.641 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.190 -8.996 8.746 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.737 -9.430 10.684 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.019 -9.813 9.554 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.042 -11.831 10.328 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.603 -11.648 8.698 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.476 -11.317 9.923 1.00 20.55 H new ATOM 114 N THR A 7 -4.304 -6.499 6.040 1.00 7.41 N ATOM 115 CA THR A 7 -5.488 -5.733 6.015 1.00 7.48 C ATOM 116 C THR A 7 -6.034 -5.627 7.401 1.00 8.75 C ATOM 117 O THR A 7 -5.602 -6.270 8.337 1.00 8.58 O ATOM 118 CB THR A 7 -6.601 -6.268 5.126 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.292 -7.439 5.578 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.066 -6.605 3.725 1.00 9.17 C ATOM 0 H THR A 7 -4.437 -7.504 5.926 1.00 7.41 H new ATOM 0 HA THR A 7 -5.188 -4.773 5.594 1.00 7.48 H new ATOM 0 HB THR A 7 -7.317 -5.447 5.140 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.982 -7.684 4.926 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.879 -6.986 3.107 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.653 -5.706 3.267 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.286 -7.362 3.806 1.00 9.17 H new ATOM 128 N LEU A 8 -7.135 -4.811 7.556 1.00 9.84 N ATOM 129 CA LEU A 8 -7.572 -4.325 8.837 1.00 14.15 C ATOM 130 C LEU A 8 -8.132 -5.392 9.645 1.00 17.37 C ATOM 131 O LEU A 8 -7.805 -5.529 10.810 1.00 17.01 O ATOM 132 CB LEU A 8 -8.637 -3.199 8.676 1.00 16.63 C ATOM 133 CG LEU A 8 -9.128 -2.494 9.948 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.087 -1.574 10.486 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.513 -1.845 9.689 1.00 18.59 C ATOM 0 H LEU A 8 -7.713 -4.497 6.777 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.693 -3.922 9.339 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.225 -2.441 8.010 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.504 -3.627 8.174 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.286 -3.219 10.746 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.461 -1.088 11.387 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.189 -2.142 10.727 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.848 -0.818 9.738 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.856 -1.346 10.595 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.428 -1.116 8.883 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.229 -2.616 9.406 1.00 18.59 H new ATOM 147 N THR A 9 -8.949 -6.304 9.017 1.00 18.33 N ATOM 148 CA THR A 9 -9.465 -7.519 9.699 1.00 19.24 C ATOM 149 C THR A 9 -8.415 -8.514 10.100 1.00 19.48 C ATOM 150 O THR A 9 -8.571 -9.305 11.046 1.00 23.14 O ATOM 151 CB THR A 9 -10.491 -8.227 8.844 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.073 -8.485 7.510 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.741 -7.307 8.640 1.00 19.70 C ATOM 0 H THR A 9 -9.255 -6.211 8.048 1.00 18.33 H new ATOM 0 HA THR A 9 -9.911 -7.139 10.618 1.00 19.24 H new ATOM 0 HB THR A 9 -10.677 -9.158 9.380 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.790 -8.945 7.026 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.476 -7.824 8.023 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.182 -7.072 9.609 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.437 -6.384 8.146 1.00 19.70 H new ATOM 161 N GLY A 10 -7.277 -8.641 9.360 1.00 19.43 N ATOM 162 CA GLY A 10 -6.205 -9.596 9.590 1.00 18.74 C ATOM 163 C GLY A 10 -5.780 -10.415 8.427 1.00 17.62 C ATOM 164 O GLY A 10 -4.797 -11.141 8.499 1.00 19.74 O ATOM 0 H GLY A 10 -7.094 -8.043 8.554 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.336 -9.050 9.957 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.517 -10.272 10.386 1.00 18.74 H new ATOM 168 N LYS A 11 -6.486 -10.253 7.247 1.00 13.56 N ATOM 169 CA LYS A 11 -6.111 -10.958 6.052 1.00 11.91 C ATOM 170 C LYS A 11 -4.709 -10.513 5.535 1.00 10.18 C ATOM 171 O LYS A 11 -4.341 -9.345 5.470 1.00 9.10 O ATOM 172 CB LYS A 11 -7.084 -10.813 4.863 1.00 13.43 C ATOM 173 CG LYS A 11 -8.500 -11.298 5.135 1.00 16.69 C ATOM 174 CD LYS A 11 -9.271 -11.663 3.827 1.00 17.92 C ATOM 175 CE LYS A 11 -9.557 -10.439 2.848 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.821 -11.037 1.565 1.00 21.93 N ATOM 0 H LYS A 11 -7.296 -9.642 7.143 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.120 -11.999 6.376 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.124 -9.764 4.570 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.683 -11.366 4.014 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -8.462 -12.171 5.786 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -9.048 -10.524 5.672 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.699 -12.416 3.285 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -10.222 -12.120 4.100 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -10.408 -9.851 3.191 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.702 -9.765 2.800 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.800 -10.303 0.829 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.096 -11.753 1.360 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -10.758 -11.487 1.578 1.00 21.93 H new ATOM 190 N THR A 12 -3.935 -11.530 5.042 1.00 9.63 N ATOM 191 CA THR A 12 -2.560 -11.321 4.770 1.00 9.85 C ATOM 192 C THR A 12 -2.402 -11.497 3.262 1.00 11.66 C ATOM 193 O THR A 12 -2.788 -12.463 2.665 1.00 12.33 O ATOM 194 CB THR A 12 -1.613 -12.362 5.448 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.846 -12.404 6.852 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.125 -12.004 5.187 1.00 9.63 C ATOM 0 H THR A 12 -4.275 -12.471 4.843 1.00 9.63 H new ATOM 0 HA THR A 12 -2.284 -10.338 5.153 1.00 9.85 H new ATOM 0 HB THR A 12 -1.825 -13.340 5.015 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.247 -13.062 7.263 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.517 -12.742 5.668 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.066 -12.002 4.114 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.089 -11.016 5.595 1.00 9.63 H new ATOM 204 N ILE A 13 -1.720 -10.481 2.602 1.00 10.42 N ATOM 205 CA ILE A 13 -1.552 -10.318 1.206 1.00 11.84 C ATOM 206 C ILE A 13 -0.058 -10.046 0.962 1.00 10.55 C ATOM 207 O ILE A 13 0.699 -9.492 1.791 1.00 11.92 O ATOM 208 CB ILE A 13 -2.437 -9.168 0.648 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.954 -9.261 1.013 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.296 -8.995 -0.923 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.674 -7.927 0.775 1.00 16.46 C ATOM 0 H ILE A 13 -1.264 -9.733 3.124 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.870 -11.218 0.680 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.039 -8.289 1.155 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.426 -10.041 0.416 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -4.060 -9.551 2.058 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.936 -8.178 -1.258 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.259 -8.770 -1.173 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.596 -9.918 -1.419 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.726 -8.029 1.039 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.218 -7.153 1.392 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.589 -7.650 -0.276 1.00 16.46 H new ATOM 223 N THR A 14 0.498 -10.677 -0.120 1.00 9.39 N ATOM 224 CA THR A 14 1.847 -10.415 -0.449 1.00 9.63 C ATOM 225 C THR A 14 2.052 -9.844 -1.876 1.00 11.20 C ATOM 226 O THR A 14 1.493 -10.493 -2.777 1.00 11.63 O ATOM 227 CB THR A 14 2.713 -11.635 -0.424 1.00 10.38 C ATOM 228 OG1 THR A 14 2.036 -12.820 -0.955 1.00 16.30 O ATOM 229 CG2 THR A 14 3.112 -11.871 0.982 1.00 11.66 C ATOM 0 H THR A 14 0.015 -11.338 -0.729 1.00 9.39 H new ATOM 0 HA THR A 14 2.126 -9.692 0.318 1.00 9.63 H new ATOM 0 HB THR A 14 3.579 -11.463 -1.064 1.00 10.38 H new ATOM 0 HG1 THR A 14 1.601 -12.595 -1.804 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.746 -12.756 1.037 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.662 -11.007 1.354 1.00 11.66 H new ATOM 0 HG23 THR A 14 2.222 -12.024 1.592 1.00 11.66 H new ATOM 237 N LEU A 15 2.684 -8.654 -2.042 1.00 8.29 N ATOM 238 CA LEU A 15 2.950 -8.118 -3.327 1.00 9.03 C ATOM 239 C LEU A 15 4.357 -8.307 -3.724 1.00 8.59 C ATOM 240 O LEU A 15 5.217 -8.665 -2.895 1.00 7.79 O ATOM 241 CB LEU A 15 2.658 -6.577 -3.418 1.00 11.08 C ATOM 242 CG LEU A 15 1.273 -6.244 -2.808 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.109 -4.727 -2.900 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.089 -6.978 -3.510 1.00 15.27 C ATOM 0 H LEU A 15 3.007 -8.071 -1.270 1.00 8.29 H new ATOM 0 HA LEU A 15 2.282 -8.664 -3.993 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.435 -6.023 -2.892 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.688 -6.257 -4.460 1.00 11.08 H new ATOM 0 HG LEU A 15 1.242 -6.594 -1.776 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.145 -4.439 -2.481 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.907 -4.240 -2.340 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.158 -4.418 -3.944 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.849 -6.697 -3.031 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.058 -6.695 -4.562 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.230 -8.056 -3.429 1.00 15.27 H new ATOM 256 N GLU A 16 4.725 -8.003 -5.005 1.00 11.04 N ATOM 257 CA GLU A 16 6.096 -8.036 -5.436 1.00 11.50 C ATOM 258 C GLU A 16 6.356 -6.698 -6.144 1.00 10.13 C ATOM 259 O GLU A 16 5.641 -6.291 -7.092 1.00 9.83 O ATOM 260 CB GLU A 16 6.487 -9.324 -6.250 1.00 17.22 C ATOM 261 CG GLU A 16 8.004 -9.421 -6.519 1.00 23.33 C ATOM 262 CD GLU A 16 8.393 -10.335 -7.635 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.466 -10.726 -8.427 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.576 -10.704 -7.732 1.00 28.86 O ATOM 0 H GLU A 16 4.064 -7.735 -5.735 1.00 11.04 H new ATOM 0 HA GLU A 16 6.769 -8.131 -4.584 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.162 -10.208 -5.701 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.953 -9.324 -7.200 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.383 -8.423 -6.739 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.498 -9.756 -5.607 1.00 23.33 H new ATOM 271 N VAL A 17 7.396 -5.994 -5.660 1.00 8.99 N ATOM 272 CA VAL A 17 7.672 -4.628 -5.910 1.00 8.85 C ATOM 273 C VAL A 17 9.237 -4.315 -6.012 1.00 8.04 C ATOM 274 O VAL A 17 10.073 -5.052 -5.498 1.00 8.99 O ATOM 275 CB VAL A 17 7.144 -3.652 -4.807 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.628 -3.479 -4.792 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.793 -3.846 -3.359 1.00 10.54 C ATOM 0 H VAL A 17 8.091 -6.422 -5.048 1.00 8.99 H new ATOM 0 HA VAL A 17 7.156 -4.460 -6.855 1.00 8.85 H new ATOM 0 HB VAL A 17 7.527 -2.684 -5.130 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.349 -2.787 -3.998 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.298 -3.082 -5.752 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.153 -4.444 -4.616 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.361 -3.123 -2.667 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.591 -4.856 -3.002 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.870 -3.692 -3.419 1.00 10.54 H new ATOM 287 N GLU A 18 9.590 -3.217 -6.727 1.00 7.29 N ATOM 288 CA GLU A 18 10.970 -2.722 -6.731 1.00 7.08 C ATOM 289 C GLU A 18 11.165 -1.627 -5.611 1.00 6.45 C ATOM 290 O GLU A 18 10.195 -0.995 -5.269 1.00 5.28 O ATOM 291 CB GLU A 18 11.457 -2.148 -8.052 1.00 10.28 C ATOM 292 CG GLU A 18 11.814 -3.293 -8.994 1.00 12.65 C ATOM 293 CD GLU A 18 13.164 -3.958 -8.579 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.179 -3.213 -8.753 1.00 14.33 O ATOM 295 OE2 GLU A 18 13.168 -5.093 -8.062 1.00 18.17 O ATOM 0 H GLU A 18 8.942 -2.672 -7.296 1.00 7.29 H new ATOM 0 HA GLU A 18 11.572 -3.610 -6.541 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.684 -1.522 -8.498 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.327 -1.512 -7.887 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.019 -4.039 -8.984 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.887 -2.919 -10.015 1.00 12.65 H new ATOM 302 N PRO A 19 12.336 -1.343 -5.042 1.00 7.24 N ATOM 303 CA PRO A 19 12.608 -0.061 -4.320 1.00 7.07 C ATOM 304 C PRO A 19 12.284 1.211 -5.033 1.00 6.65 C ATOM 305 O PRO A 19 12.026 2.270 -4.409 1.00 6.37 O ATOM 306 CB PRO A 19 14.111 -0.127 -4.027 1.00 7.61 C ATOM 307 CG PRO A 19 14.413 -1.638 -3.905 1.00 8.16 C ATOM 308 CD PRO A 19 13.491 -2.239 -5.040 1.00 7.49 C ATOM 0 HA PRO A 19 11.951 -0.006 -3.452 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.692 0.331 -4.827 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.360 0.404 -3.108 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.467 -1.860 -4.073 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.158 -2.029 -2.920 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.996 -2.248 -6.006 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.202 -3.267 -4.822 1.00 7.49 H new ATOM 316 N SER A 20 12.277 1.234 -6.344 1.00 6.80 N ATOM 317 CA SER A 20 11.879 2.398 -7.156 1.00 6.28 C ATOM 318 C SER A 20 10.375 2.530 -7.582 1.00 8.45 C ATOM 319 O SER A 20 10.013 3.539 -8.168 1.00 7.26 O ATOM 320 CB SER A 20 12.608 2.476 -8.492 1.00 8.57 C ATOM 321 OG SER A 20 12.620 1.220 -9.190 1.00 11.13 O ATOM 0 H SER A 20 12.553 0.430 -6.907 1.00 6.80 H new ATOM 0 HA SER A 20 12.131 3.181 -6.441 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.132 3.231 -9.118 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.634 2.803 -8.323 1.00 8.57 H new ATOM 0 HG SER A 20 13.097 1.323 -10.040 1.00 11.13 H new ATOM 327 N ASP A 21 9.514 1.511 -7.255 1.00 7.50 N ATOM 328 CA ASP A 21 8.084 1.574 -7.500 1.00 7.70 C ATOM 329 C ASP A 21 7.497 2.657 -6.542 1.00 7.08 C ATOM 330 O ASP A 21 7.948 2.887 -5.425 1.00 8.11 O ATOM 331 CB ASP A 21 7.345 0.223 -7.254 1.00 11.00 C ATOM 332 CG ASP A 21 7.276 -0.670 -8.495 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.878 -0.170 -9.583 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.556 -1.891 -8.381 1.00 18.03 O ATOM 0 H ASP A 21 9.818 0.641 -6.818 1.00 7.50 H new ATOM 0 HA ASP A 21 7.933 1.815 -8.552 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.851 -0.318 -6.454 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.332 0.430 -6.908 1.00 11.00 H new ATOM 339 N THR A 22 6.418 3.432 -6.941 1.00 5.37 N ATOM 340 CA THR A 22 5.728 4.429 -6.166 1.00 6.01 C ATOM 341 C THR A 22 4.531 3.834 -5.299 1.00 8.01 C ATOM 342 O THR A 22 4.157 2.676 -5.437 1.00 8.11 O ATOM 343 CB THR A 22 5.159 5.585 -7.046 1.00 8.92 C ATOM 344 OG1 THR A 22 4.164 5.087 -7.934 1.00 10.22 O ATOM 345 CG2 THR A 22 6.319 6.228 -7.825 1.00 9.65 C ATOM 0 H THR A 22 6.019 3.336 -7.875 1.00 5.37 H new ATOM 0 HA THR A 22 6.493 4.820 -5.495 1.00 6.01 H new ATOM 0 HB THR A 22 4.689 6.337 -6.413 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.814 5.823 -8.479 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.936 7.038 -8.445 1.00 9.65 H new ATOM 0 HG22 THR A 22 7.053 6.624 -7.123 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.791 5.478 -8.459 1.00 9.65 H new ATOM 353 N ILE A 23 4.066 4.585 -4.345 1.00 8.32 N ATOM 354 CA ILE A 23 2.948 4.146 -3.496 1.00 9.92 C ATOM 355 C ILE A 23 1.645 3.979 -4.304 1.00 10.01 C ATOM 356 O ILE A 23 0.739 3.139 -4.073 1.00 8.71 O ATOM 357 CB ILE A 23 2.763 5.112 -2.337 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.879 4.883 -1.271 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.350 4.905 -1.634 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.092 3.375 -0.769 1.00 12.30 C ATOM 0 H ILE A 23 4.430 5.510 -4.118 1.00 8.32 H new ATOM 0 HA ILE A 23 3.194 3.163 -3.093 1.00 9.92 H new ATOM 0 HB ILE A 23 2.819 6.124 -2.739 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.822 5.242 -1.683 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.654 5.503 -0.403 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.247 5.610 -0.809 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.554 5.076 -2.359 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.279 3.887 -1.252 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.894 3.347 -0.031 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.170 3.008 -0.317 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.357 2.743 -1.617 1.00 12.30 H new ATOM 372 N GLU A 24 1.586 4.805 -5.422 1.00 9.54 N ATOM 373 CA GLU A 24 0.579 4.598 -6.483 1.00 11.81 C ATOM 374 C GLU A 24 0.667 3.204 -7.132 1.00 11.14 C ATOM 375 O GLU A 24 -0.397 2.559 -7.250 1.00 10.62 O ATOM 376 CB GLU A 24 0.651 5.744 -7.565 1.00 19.24 C ATOM 377 CG GLU A 24 -0.627 5.793 -8.424 1.00 27.76 C ATOM 378 CD GLU A 24 -0.706 7.080 -9.200 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.030 7.218 -10.157 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.727 7.884 -8.977 1.00 34.80 O ATOM 0 H GLU A 24 2.216 5.591 -5.585 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.397 4.646 -5.999 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.794 6.704 -7.070 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.517 5.584 -8.208 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.640 4.948 -9.112 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.504 5.696 -7.784 1.00 27.76 H new ATOM 387 N ASN A 25 1.822 2.634 -7.481 1.00 9.43 N ATOM 388 CA ASN A 25 2.040 1.300 -8.044 1.00 10.96 C ATOM 389 C ASN A 25 1.703 0.221 -7.014 1.00 9.68 C ATOM 390 O ASN A 25 1.059 -0.778 -7.332 1.00 9.33 O ATOM 391 CB ASN A 25 3.466 1.084 -8.519 1.00 16.78 C ATOM 392 CG ASN A 25 3.634 1.779 -9.859 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.731 2.258 -10.518 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.888 1.828 -10.349 1.00 24.70 N ATOM 0 H ASN A 25 2.703 3.136 -7.367 1.00 9.43 H new ATOM 0 HA ASN A 25 1.379 1.227 -8.908 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.173 1.485 -7.792 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.677 0.019 -8.615 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.065 2.261 -11.256 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.661 1.432 -9.813 1.00 24.70 H new ATOM 401 N VAL A 26 1.894 0.481 -5.727 1.00 6.52 N ATOM 402 CA VAL A 26 1.472 -0.479 -4.679 1.00 5.53 C ATOM 403 C VAL A 26 -0.033 -0.678 -4.611 1.00 4.42 C ATOM 404 O VAL A 26 -0.527 -1.805 -4.559 1.00 3.40 O ATOM 405 CB VAL A 26 1.961 -0.015 -3.287 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.480 -1.029 -2.184 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.524 0.104 -3.227 1.00 8.12 C ATOM 0 H VAL A 26 2.331 1.332 -5.373 1.00 6.52 H new ATOM 0 HA VAL A 26 1.926 -1.430 -4.956 1.00 5.53 H new ATOM 0 HB VAL A 26 1.535 0.972 -3.104 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.828 -0.695 -1.206 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.391 -1.077 -2.184 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.887 -2.018 -2.396 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.826 0.432 -2.233 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.971 -0.867 -3.440 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.862 0.829 -3.967 1.00 8.12 H new ATOM 417 N LYS A 27 -0.802 0.404 -4.652 1.00 2.64 N ATOM 418 CA LYS A 27 -2.212 0.326 -4.690 1.00 4.14 C ATOM 419 C LYS A 27 -2.806 -0.406 -5.828 1.00 5.58 C ATOM 420 O LYS A 27 -3.708 -1.234 -5.724 1.00 4.11 O ATOM 421 CB LYS A 27 -2.884 1.712 -4.465 1.00 3.97 C ATOM 422 CG LYS A 27 -2.501 2.270 -3.163 1.00 7.45 C ATOM 423 CD LYS A 27 -3.083 3.623 -2.816 1.00 9.02 C ATOM 424 CE LYS A 27 -2.454 4.792 -3.598 1.00 12.90 C ATOM 425 NZ LYS A 27 -2.994 6.118 -3.200 1.00 15.47 N ATOM 0 H LYS A 27 -0.437 1.356 -4.659 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.446 -0.314 -3.839 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.590 2.397 -5.260 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.968 1.609 -4.517 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.795 1.562 -2.388 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.414 2.346 -3.130 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.156 3.606 -3.008 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.953 3.801 -1.749 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.375 4.785 -3.444 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.625 4.642 -4.664 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.337 6.865 -3.503 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.919 6.266 -3.652 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.105 6.152 -2.166 1.00 15.47 H new ATOM 439 N ALA A 28 -2.257 -0.198 -7.070 1.00 6.61 N ATOM 440 CA ALA A 28 -2.666 -0.889 -8.295 1.00 7.74 C ATOM 441 C ALA A 28 -2.443 -2.408 -8.194 1.00 9.17 C ATOM 442 O ALA A 28 -3.235 -3.235 -8.603 1.00 11.45 O ATOM 443 CB ALA A 28 -1.914 -0.285 -9.467 1.00 7.68 C ATOM 0 H ALA A 28 -1.504 0.472 -7.227 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.737 -0.752 -8.446 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.208 -0.790 -10.387 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.151 0.776 -9.543 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.842 -0.407 -9.313 1.00 7.68 H new ATOM 449 N LYS A 29 -1.298 -2.833 -7.666 1.00 8.96 N ATOM 450 CA LYS A 29 -1.007 -4.287 -7.372 1.00 7.90 C ATOM 451 C LYS A 29 -2.068 -4.929 -6.480 1.00 6.92 C ATOM 452 O LYS A 29 -2.526 -6.034 -6.741 1.00 6.87 O ATOM 453 CB LYS A 29 0.346 -4.369 -6.688 1.00 10.28 C ATOM 454 CG LYS A 29 1.412 -4.324 -7.762 1.00 14.94 C ATOM 455 CD LYS A 29 2.910 -4.274 -7.248 1.00 19.69 C ATOM 456 CE LYS A 29 3.912 -4.075 -8.408 1.00 22.63 C ATOM 457 NZ LYS A 29 3.968 -5.394 -9.160 1.00 24.98 N ATOM 0 H LYS A 29 -0.532 -2.206 -7.421 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.012 -4.834 -8.315 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.472 -3.541 -5.990 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.426 -5.289 -6.109 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.296 -5.201 -8.399 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.233 -3.449 -8.388 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.020 -3.461 -6.530 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.144 -5.199 -6.721 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.590 -3.267 -9.065 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.897 -3.803 -8.028 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.539 -5.278 -10.022 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.399 -6.121 -8.554 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.004 -5.687 -9.420 1.00 24.98 H new ATOM 471 N ILE A 30 -2.478 -4.219 -5.468 1.00 4.57 N ATOM 472 CA ILE A 30 -3.509 -4.743 -4.556 1.00 5.58 C ATOM 473 C ILE A 30 -4.887 -4.735 -5.196 1.00 7.26 C ATOM 474 O ILE A 30 -5.798 -5.505 -4.923 1.00 9.46 O ATOM 475 CB ILE A 30 -3.585 -3.977 -3.173 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.238 -3.996 -2.553 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.618 -4.548 -2.169 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.091 -2.769 -1.615 1.00 2.00 C ATOM 0 H ILE A 30 -2.133 -3.287 -5.238 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.200 -5.768 -4.354 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.924 -2.966 -3.398 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.097 -4.918 -1.990 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.469 -3.973 -3.325 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.598 -3.959 -1.252 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.615 -4.503 -2.608 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.369 -5.584 -1.940 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.102 -2.778 -1.156 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.215 -1.853 -2.192 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.853 -2.813 -0.836 1.00 2.00 H new ATOM 490 N GLN A 31 -5.185 -3.813 -6.200 1.00 7.06 N ATOM 491 CA GLN A 31 -6.379 -3.815 -6.954 1.00 8.67 C ATOM 492 C GLN A 31 -6.525 -5.065 -7.722 1.00 10.90 C ATOM 493 O GLN A 31 -7.591 -5.694 -7.816 1.00 9.63 O ATOM 494 CB GLN A 31 -6.491 -2.605 -7.909 1.00 9.12 C ATOM 495 CG GLN A 31 -7.690 -2.634 -8.854 1.00 10.76 C ATOM 496 CD GLN A 31 -7.878 -1.295 -9.494 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.976 -0.529 -9.755 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.120 -1.107 -10.042 1.00 14.76 N ATOM 0 H GLN A 31 -4.547 -3.061 -6.461 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.188 -3.739 -6.228 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.541 -1.694 -7.312 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.580 -2.547 -8.505 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.539 -3.393 -9.621 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.589 -2.911 -8.304 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.878 -1.753 -9.821 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.286 -0.321 -10.671 1.00 14.76 H new ATOM 507 N ASP A 32 -5.383 -5.491 -8.307 1.00 10.93 N ATOM 508 CA ASP A 32 -5.289 -6.820 -8.900 1.00 14.01 C ATOM 509 C ASP A 32 -5.487 -8.048 -7.944 1.00 14.04 C ATOM 510 O ASP A 32 -6.211 -8.998 -8.294 1.00 13.39 O ATOM 511 CB ASP A 32 -3.962 -6.771 -9.692 1.00 18.01 C ATOM 512 CG ASP A 32 -3.967 -7.872 -10.800 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.967 -7.820 -11.535 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.027 -8.713 -10.940 1.00 26.29 O ATOM 0 H ASP A 32 -4.531 -4.934 -8.375 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.144 -7.025 -9.545 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.834 -5.788 -10.144 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.119 -6.924 -9.018 1.00 18.01 H new ATOM 519 N LYS A 33 -4.983 -8.077 -6.731 1.00 14.22 N ATOM 520 CA LYS A 33 -5.190 -9.059 -5.657 1.00 14.00 C ATOM 521 C LYS A 33 -6.579 -9.125 -5.133 1.00 12.37 C ATOM 522 O LYS A 33 -7.279 -10.161 -5.111 1.00 12.17 O ATOM 523 CB LYS A 33 -4.190 -8.820 -4.418 1.00 18.62 C ATOM 524 CG LYS A 33 -2.701 -9.168 -4.744 1.00 24.00 C ATOM 525 CD LYS A 33 -2.419 -10.690 -4.953 1.00 27.61 C ATOM 526 CE LYS A 33 -1.033 -10.805 -5.561 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.607 -12.221 -5.775 1.00 30.06 N ATOM 0 H LYS A 33 -4.348 -7.339 -6.427 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.977 -10.012 -6.140 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.252 -7.777 -4.107 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.520 -9.424 -3.573 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.405 -8.630 -5.645 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.071 -8.803 -3.933 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.470 -11.225 -4.005 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.167 -11.134 -5.610 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.015 -10.278 -6.515 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.314 -10.309 -4.909 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.346 -12.238 -6.192 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.595 -12.721 -4.863 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.275 -12.691 -6.419 1.00 30.06 H new ATOM 541 N GLU A 34 -7.171 -7.958 -4.621 1.00 10.11 N ATOM 542 CA GLU A 34 -8.354 -8.014 -3.834 1.00 10.07 C ATOM 543 C GLU A 34 -9.470 -7.229 -4.476 1.00 9.32 C ATOM 544 O GLU A 34 -10.544 -7.137 -3.944 1.00 11.61 O ATOM 545 CB GLU A 34 -8.084 -7.442 -2.425 1.00 14.77 C ATOM 546 CG GLU A 34 -7.262 -8.388 -1.476 1.00 18.75 C ATOM 547 CD GLU A 34 -8.132 -9.597 -1.141 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.107 -9.506 -0.343 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.679 -10.719 -1.571 1.00 25.19 O ATOM 0 H GLU A 34 -6.806 -7.018 -4.772 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.654 -9.059 -3.759 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.548 -6.499 -2.528 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.039 -7.216 -1.951 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.339 -8.706 -1.962 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.977 -7.860 -0.566 1.00 18.75 H new ATOM 556 N GLY A 35 -9.263 -6.582 -5.666 1.00 7.22 N ATOM 557 CA GLY A 35 -10.304 -5.836 -6.305 1.00 6.29 C ATOM 558 C GLY A 35 -10.737 -4.455 -5.745 1.00 6.93 C ATOM 559 O GLY A 35 -11.632 -3.713 -6.166 1.00 7.41 O ATOM 0 H GLY A 35 -8.376 -6.585 -6.169 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.002 -5.683 -7.341 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.191 -6.469 -6.322 1.00 6.29 H new ATOM 563 N ILE A 36 -10.037 -3.955 -4.706 1.00 5.86 N ATOM 564 CA ILE A 36 -10.295 -2.592 -4.072 1.00 6.07 C ATOM 565 C ILE A 36 -9.876 -1.453 -5.087 1.00 6.36 C ATOM 566 O ILE A 36 -8.738 -1.415 -5.551 1.00 6.18 O ATOM 567 CB ILE A 36 -9.630 -2.404 -2.685 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.775 -3.687 -1.759 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.210 -1.102 -2.012 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.730 -3.656 -0.600 1.00 9.49 C ATOM 0 H ILE A 36 -9.272 -4.464 -4.264 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.364 -2.527 -3.871 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.556 -2.280 -2.824 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.782 -3.730 -1.345 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.637 -4.589 -2.355 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.748 -0.961 -1.035 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.995 -0.240 -2.643 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.289 -1.204 -1.892 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.848 -4.544 0.021 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.724 -3.637 -1.018 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.887 -2.765 0.008 1.00 9.49 H new ATOM 582 N PRO A 37 -10.745 -0.448 -5.405 1.00 8.65 N ATOM 583 CA PRO A 37 -10.362 0.746 -6.149 1.00 9.18 C ATOM 584 C PRO A 37 -9.192 1.595 -5.495 1.00 9.85 C ATOM 585 O PRO A 37 -9.253 1.776 -4.297 1.00 8.51 O ATOM 586 CB PRO A 37 -11.709 1.538 -6.311 1.00 11.42 C ATOM 587 CG PRO A 37 -12.780 0.465 -6.190 1.00 9.27 C ATOM 588 CD PRO A 37 -12.145 -0.515 -5.198 1.00 8.33 C ATOM 0 HA PRO A 37 -9.914 0.488 -7.109 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.819 2.301 -5.541 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.760 2.047 -7.274 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.721 0.869 -5.817 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.993 -0.007 -7.149 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.399 -0.247 -4.172 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.513 -1.527 -5.363 1.00 8.33 H new ATOM 596 N PRO A 38 -8.157 2.132 -6.182 1.00 8.71 N ATOM 597 CA PRO A 38 -7.048 2.890 -5.558 1.00 9.08 C ATOM 598 C PRO A 38 -7.397 4.076 -4.669 1.00 9.28 C ATOM 599 O PRO A 38 -6.761 4.250 -3.668 1.00 6.50 O ATOM 600 CB PRO A 38 -6.050 3.201 -6.672 1.00 10.31 C ATOM 601 CG PRO A 38 -6.300 2.094 -7.658 1.00 10.81 C ATOM 602 CD PRO A 38 -7.792 1.729 -7.548 1.00 12.00 C ATOM 0 HA PRO A 38 -6.608 2.253 -4.791 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.227 4.183 -7.112 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.022 3.195 -6.308 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.054 2.415 -8.670 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.673 1.230 -7.437 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.388 2.257 -8.293 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.955 0.663 -7.707 1.00 12.00 H new ATOM 610 N ASP A 39 -8.541 4.815 -4.920 1.00 11.20 N ATOM 611 CA ASP A 39 -8.883 5.874 -4.083 1.00 14.96 C ATOM 612 C ASP A 39 -9.807 5.440 -2.893 1.00 13.99 C ATOM 613 O ASP A 39 -10.240 6.253 -2.063 1.00 13.75 O ATOM 614 CB ASP A 39 -9.474 7.034 -4.850 1.00 24.16 C ATOM 615 CG ASP A 39 -8.494 7.532 -5.866 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.490 8.200 -5.456 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.675 7.355 -7.119 1.00 35.55 O ATOM 0 H ASP A 39 -9.184 4.648 -5.694 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.949 6.217 -3.638 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.395 6.722 -5.344 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.737 7.838 -4.163 1.00 24.16 H new ATOM 622 N GLN A 40 -10.151 4.157 -2.789 1.00 11.60 N ATOM 623 CA GLN A 40 -10.737 3.600 -1.607 1.00 10.76 C ATOM 624 C GLN A 40 -9.610 2.847 -0.817 1.00 8.01 C ATOM 625 O GLN A 40 -9.851 2.250 0.271 1.00 8.96 O ATOM 626 CB GLN A 40 -11.832 2.528 -1.824 1.00 11.14 C ATOM 627 CG GLN A 40 -13.154 3.141 -2.354 1.00 14.85 C ATOM 628 CD GLN A 40 -14.345 2.178 -2.599 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.659 1.346 -1.729 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.951 2.328 -3.822 1.00 18.16 N ATOM 0 H GLN A 40 -10.022 3.481 -3.542 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.194 4.452 -1.104 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.471 1.780 -2.530 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.024 2.012 -0.884 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.479 3.903 -1.646 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.935 3.651 -3.292 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.620 3.042 -4.471 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.732 1.725 -4.082 1.00 18.16 H new ATOM 639 N GLN A 41 -8.371 2.725 -1.395 1.00 6.52 N ATOM 640 CA GLN A 41 -7.191 2.260 -0.676 1.00 3.87 C ATOM 641 C GLN A 41 -6.397 3.377 -0.018 1.00 4.79 C ATOM 642 O GLN A 41 -5.868 4.299 -0.659 1.00 6.34 O ATOM 643 CB GLN A 41 -6.239 1.419 -1.557 1.00 4.20 C ATOM 644 CG GLN A 41 -6.945 0.294 -2.276 1.00 3.20 C ATOM 645 CD GLN A 41 -5.912 -0.577 -3.038 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.836 -0.811 -2.540 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.156 -0.953 -4.264 1.00 7.13 N ATOM 0 H GLN A 41 -8.189 2.952 -2.373 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.601 1.625 0.109 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.761 2.069 -2.290 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.446 1.005 -0.934 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.493 -0.319 -1.560 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.677 0.700 -2.974 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.063 -0.757 -4.687 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.439 -1.443 -4.799 1.00 7.13 H new ATOM 656 N ARG A 42 -6.161 3.154 1.288 1.00 5.73 N ATOM 657 CA ARG A 42 -5.279 3.979 2.039 1.00 6.97 C ATOM 658 C ARG A 42 -4.402 3.056 2.783 1.00 7.15 C ATOM 659 O ARG A 42 -4.790 2.048 3.339 1.00 7.33 O ATOM 660 CB ARG A 42 -5.997 4.952 2.961 1.00 13.23 C ATOM 661 CG ARG A 42 -5.185 5.597 4.094 1.00 21.27 C ATOM 662 CD ARG A 42 -5.958 6.517 5.078 1.00 26.14 C ATOM 663 NE ARG A 42 -6.257 7.896 4.533 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.237 8.675 4.984 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.952 8.347 6.058 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.563 9.770 4.288 1.00 36.39 N ATOM 0 H ARG A 42 -6.586 2.396 1.822 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.710 4.627 1.372 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.410 5.753 2.347 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.840 4.428 3.410 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.717 4.800 4.672 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.381 6.180 3.645 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.897 6.034 5.348 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.377 6.619 5.995 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.673 8.250 3.775 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.754 7.480 6.557 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.698 8.963 6.382 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.063 9.995 3.428 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.311 10.380 4.617 1.00 36.39 H new ATOM 680 N LEU A 43 -3.100 3.309 2.670 1.00 4.65 N ATOM 681 CA LEU A 43 -1.993 2.415 3.129 1.00 3.51 C ATOM 682 C LEU A 43 -1.153 3.061 4.180 1.00 5.56 C ATOM 683 O LEU A 43 -0.630 4.164 4.082 1.00 4.19 O ATOM 684 CB LEU A 43 -0.991 2.037 1.996 1.00 3.74 C ATOM 685 CG LEU A 43 -1.552 0.884 1.124 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.772 1.061 -0.234 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.401 -0.487 1.772 1.00 6.41 C ATOM 0 H LEU A 43 -2.754 4.169 2.243 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.514 1.532 3.498 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.796 2.909 1.372 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.038 1.738 2.432 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.632 0.933 0.982 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.089 0.292 -0.939 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.986 2.045 -0.651 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.299 0.968 -0.053 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.813 -1.249 1.111 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.345 -0.692 1.948 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.937 -0.502 2.721 1.00 6.41 H new ATOM 699 N ILE A 44 -1.159 2.458 5.356 1.00 4.58 N ATOM 700 CA ILE A 44 -0.581 2.955 6.548 1.00 5.55 C ATOM 701 C ILE A 44 0.815 2.334 6.881 1.00 5.46 C ATOM 702 O ILE A 44 0.993 1.164 7.066 1.00 6.04 O ATOM 703 CB ILE A 44 -1.453 2.786 7.767 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.850 3.224 7.379 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.812 3.512 8.932 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.016 4.728 7.099 1.00 13.90 C ATOM 0 H ILE A 44 -1.602 1.549 5.490 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.465 4.016 6.328 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.545 1.756 8.112 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.152 2.671 6.490 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.536 2.943 8.178 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.434 3.397 9.819 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.175 3.092 9.124 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.715 4.571 8.692 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.052 4.936 6.830 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.752 5.296 7.991 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.362 5.019 6.277 1.00 13.90 H new ATOM 718 N PHE A 45 1.855 3.194 6.932 1.00 6.75 N ATOM 719 CA PHE A 45 3.193 2.651 7.229 1.00 4.70 C ATOM 720 C PHE A 45 3.879 3.755 7.951 1.00 6.34 C ATOM 721 O PHE A 45 3.745 4.889 7.535 1.00 5.45 O ATOM 722 CB PHE A 45 3.826 2.062 5.965 1.00 5.51 C ATOM 723 CG PHE A 45 5.185 1.539 6.188 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.233 2.427 6.437 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.492 0.163 5.976 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.600 1.954 6.555 1.00 6.64 C ATOM 727 CE2 PHE A 45 6.819 -0.332 6.157 1.00 6.68 C ATOM 728 CZ PHE A 45 7.876 0.564 6.470 1.00 6.84 C ATOM 0 H PHE A 45 1.803 4.202 6.782 1.00 6.75 H new ATOM 0 HA PHE A 45 3.233 1.778 7.880 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.192 1.259 5.589 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.861 2.830 5.192 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.024 3.481 6.543 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.708 -0.516 5.674 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.405 2.658 6.707 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.019 -1.388 6.056 1.00 6.68 H new ATOM 0 HZ PHE A 45 8.876 0.193 6.641 1.00 6.84 H new ATOM 738 N ALA A 46 4.574 3.468 9.062 1.00 6.53 N ATOM 739 CA ALA A 46 5.347 4.363 9.880 1.00 7.15 C ATOM 740 C ALA A 46 4.573 5.541 10.508 1.00 9.00 C ATOM 741 O ALA A 46 5.123 6.642 10.714 1.00 11.15 O ATOM 742 CB ALA A 46 6.739 4.750 9.261 1.00 8.99 C ATOM 0 H ALA A 46 4.600 2.516 9.427 1.00 6.53 H new ATOM 0 HA ALA A 46 5.588 3.755 10.752 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.262 5.427 9.936 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.336 3.849 9.116 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.586 5.242 8.301 1.00 8.99 H new ATOM 748 N GLY A 47 3.336 5.329 10.833 1.00 9.35 N ATOM 749 CA GLY A 47 2.473 6.325 11.371 1.00 11.68 C ATOM 750 C GLY A 47 1.912 7.294 10.424 1.00 11.14 C ATOM 751 O GLY A 47 1.455 8.394 10.769 1.00 13.93 O ATOM 0 H GLY A 47 2.885 4.420 10.725 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.646 5.823 11.873 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.023 6.875 12.134 1.00 11.68 H new ATOM 755 N LYS A 48 2.020 6.999 9.137 1.00 10.47 N ATOM 756 CA LYS A 48 1.810 8.006 8.082 1.00 8.82 C ATOM 757 C LYS A 48 0.840 7.391 7.132 1.00 7.68 C ATOM 758 O LYS A 48 0.661 6.212 7.046 1.00 6.47 O ATOM 759 CB LYS A 48 3.100 8.327 7.403 1.00 9.74 C ATOM 760 CG LYS A 48 4.218 8.978 8.301 1.00 14.14 C ATOM 761 CD LYS A 48 5.294 9.429 7.338 1.00 16.32 C ATOM 762 CE LYS A 48 6.574 10.087 7.886 1.00 20.04 C ATOM 763 NZ LYS A 48 6.188 11.374 8.563 1.00 23.92 N ATOM 0 H LYS A 48 2.252 6.070 8.787 1.00 10.47 H new ATOM 0 HA LYS A 48 1.430 8.946 8.483 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.498 7.408 6.973 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.891 9.002 6.573 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.824 9.819 8.872 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.611 8.260 9.021 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.597 8.559 6.756 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.836 10.133 6.643 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.072 9.421 8.591 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.279 10.279 7.077 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.039 11.836 8.941 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.729 12.004 7.875 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.529 11.173 9.342 1.00 23.92 H new ATOM 777 N GLN A 49 0.128 8.269 6.422 1.00 8.89 N ATOM 778 CA GLN A 49 -0.949 7.921 5.413 1.00 7.18 C ATOM 779 C GLN A 49 -0.518 8.129 3.978 1.00 8.23 C ATOM 780 O GLN A 49 -1.310 7.892 3.097 1.00 9.70 O ATOM 781 CB GLN A 49 -2.248 8.810 5.647 1.00 11.67 C ATOM 782 CG GLN A 49 -2.973 8.611 7.026 1.00 15.82 C ATOM 783 CD GLN A 49 -4.301 9.382 7.084 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.641 10.279 6.278 1.00 23.23 O ATOM 785 NE2 GLN A 49 -5.113 8.992 8.139 1.00 20.67 N ATOM 0 H GLN A 49 0.266 9.275 6.514 1.00 8.89 H new ATOM 0 HA GLN A 49 -1.154 6.862 5.569 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.969 9.859 5.553 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.960 8.597 4.850 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.160 7.550 7.189 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.321 8.947 7.832 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.804 8.258 8.776 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -6.019 9.439 8.278 1.00 20.67 H new ATOM 794 N LEU A 50 0.778 8.496 3.799 1.00 6.51 N ATOM 795 CA LEU A 50 1.474 8.595 2.582 1.00 7.41 C ATOM 796 C LEU A 50 0.983 9.570 1.474 1.00 8.27 C ATOM 797 O LEU A 50 -0.116 10.171 1.616 1.00 8.34 O ATOM 798 CB LEU A 50 1.789 7.190 1.991 1.00 7.13 C ATOM 799 CG LEU A 50 2.175 6.099 3.053 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.473 4.765 2.396 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.434 6.453 3.845 1.00 9.11 C ATOM 0 H LEU A 50 1.370 8.740 4.593 1.00 6.51 H new ATOM 0 HA LEU A 50 2.375 9.108 2.917 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.919 6.843 1.434 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.607 7.287 1.277 1.00 7.13 H new ATOM 0 HG LEU A 50 1.310 6.047 3.714 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.736 4.034 3.160 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.592 4.422 1.854 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.305 4.879 1.701 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.648 5.660 4.562 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.276 6.560 3.161 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.277 7.391 4.377 1.00 9.11 H new ATOM 813 N GLU A 51 1.754 9.656 0.435 1.00 9.43 N ATOM 814 CA GLU A 51 1.501 10.430 -0.779 1.00 11.90 C ATOM 815 C GLU A 51 1.766 9.422 -1.863 1.00 11.49 C ATOM 816 O GLU A 51 2.465 8.434 -1.700 1.00 9.88 O ATOM 817 CB GLU A 51 2.494 11.500 -0.960 1.00 16.56 C ATOM 818 CG GLU A 51 2.487 12.715 0.039 1.00 26.06 C ATOM 819 CD GLU A 51 3.800 13.476 0.027 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.547 13.498 -0.938 1.00 32.13 O ATOM 821 OE2 GLU A 51 4.147 14.034 1.120 1.00 33.44 O ATOM 0 H GLU A 51 2.644 9.159 0.392 1.00 9.43 H new ATOM 0 HA GLU A 51 0.511 10.886 -0.766 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.483 11.043 -0.918 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.370 11.899 -1.967 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.674 13.393 -0.222 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.289 12.352 1.048 1.00 26.06 H new ATOM 828 N ASP A 52 1.168 9.590 -3.086 1.00 12.71 N ATOM 829 CA ASP A 52 1.281 8.736 -4.238 1.00 16.56 C ATOM 830 C ASP A 52 2.577 8.723 -4.964 1.00 15.83 C ATOM 831 O ASP A 52 2.805 7.607 -5.448 1.00 17.21 O ATOM 832 CB ASP A 52 0.139 9.218 -5.186 1.00 21.05 C ATOM 833 CG ASP A 52 -1.235 8.916 -4.773 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.492 8.052 -3.881 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.118 9.464 -5.479 1.00 28.37 O ATOM 0 H ASP A 52 0.561 10.390 -3.268 1.00 12.71 H new ATOM 0 HA ASP A 52 1.209 7.703 -3.897 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.229 10.298 -5.304 1.00 21.05 H new ATOM 0 HB3 ASP A 52 0.303 8.775 -6.168 1.00 21.05 H new ATOM 840 N GLY A 53 3.299 9.799 -5.115 1.00 15.00 N ATOM 841 CA GLY A 53 4.521 9.996 -5.876 1.00 11.77 C ATOM 842 C GLY A 53 5.763 9.470 -5.258 1.00 11.10 C ATOM 843 O GLY A 53 6.714 9.212 -5.991 1.00 11.25 O ATOM 0 H GLY A 53 3.019 10.666 -4.657 1.00 15.00 H new ATOM 0 HA2 GLY A 53 4.397 9.527 -6.852 1.00 11.77 H new ATOM 0 HA3 GLY A 53 4.649 11.064 -6.050 1.00 11.77 H new ATOM 847 N ARG A 54 5.774 9.262 -3.933 1.00 8.53 N ATOM 848 CA ARG A 54 6.931 8.778 -3.318 1.00 9.05 C ATOM 849 C ARG A 54 7.131 7.286 -3.613 1.00 8.96 C ATOM 850 O ARG A 54 6.225 6.522 -3.834 1.00 11.60 O ATOM 851 CB ARG A 54 6.726 8.843 -1.779 1.00 7.97 C ATOM 852 CG ARG A 54 6.356 10.227 -1.262 1.00 9.62 C ATOM 853 CD ARG A 54 7.495 11.250 -1.410 1.00 12.20 C ATOM 854 NE ARG A 54 6.982 12.534 -0.870 1.00 18.23 N ATOM 855 CZ ARG A 54 7.683 13.441 -0.174 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.012 13.347 -0.207 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.012 14.370 0.485 1.00 23.38 N ATOM 0 H ARG A 54 4.986 9.431 -3.308 1.00 8.53 H new ATOM 0 HA ARG A 54 7.772 9.370 -3.680 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.943 8.139 -1.497 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.641 8.515 -1.287 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.480 10.587 -1.801 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.076 10.153 -0.211 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.381 10.926 -0.864 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.786 11.357 -2.455 1.00 12.20 H new ATOM 0 HE ARG A 54 6.000 12.747 -1.046 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.458 12.606 -0.748 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.584 14.017 0.308 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.993 14.381 0.454 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.514 15.075 1.025 1.00 23.38 H new ATOM 871 N THR A 55 8.366 6.842 -3.430 1.00 9.05 N ATOM 872 CA THR A 55 8.771 5.452 -3.752 1.00 9.03 C ATOM 873 C THR A 55 8.746 4.619 -2.452 1.00 8.15 C ATOM 874 O THR A 55 8.657 5.144 -1.313 1.00 5.91 O ATOM 875 CB THR A 55 10.084 5.268 -4.571 1.00 11.15 C ATOM 876 OG1 THR A 55 11.179 5.711 -3.820 1.00 11.95 O ATOM 877 CG2 THR A 55 9.934 6.071 -5.876 1.00 11.71 C ATOM 0 H THR A 55 9.121 7.418 -3.058 1.00 9.05 H new ATOM 0 HA THR A 55 8.034 5.079 -4.463 1.00 9.03 H new ATOM 0 HB THR A 55 10.257 4.218 -4.807 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.986 6.599 -3.454 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.838 5.964 -6.475 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.079 5.695 -6.438 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.778 7.124 -5.640 1.00 11.71 H new ATOM 885 N LEU A 56 8.896 3.210 -2.595 1.00 6.91 N ATOM 886 CA LEU A 56 9.285 2.340 -1.588 1.00 8.29 C ATOM 887 C LEU A 56 10.483 2.884 -0.833 1.00 8.05 C ATOM 888 O LEU A 56 10.587 2.975 0.357 1.00 10.17 O ATOM 889 CB LEU A 56 9.555 0.916 -2.122 1.00 6.60 C ATOM 890 CG LEU A 56 8.399 -0.081 -2.373 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.545 -0.441 -1.122 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.378 0.346 -3.499 1.00 8.64 C ATOM 0 H LEU A 56 8.720 2.734 -3.480 1.00 6.91 H new ATOM 0 HA LEU A 56 8.452 2.262 -0.889 1.00 8.29 H new ATOM 0 HB2 LEU A 56 10.090 1.027 -3.065 1.00 6.60 H new ATOM 0 HB3 LEU A 56 10.240 0.438 -1.421 1.00 6.60 H new ATOM 0 HG LEU A 56 8.970 -0.952 -2.695 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.763 -1.145 -1.406 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.184 -0.894 -0.364 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.090 0.464 -0.720 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.606 -0.417 -3.599 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.916 1.296 -3.230 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.906 0.455 -4.447 1.00 8.64 H new ATOM 904 N SER A 57 11.542 3.336 -1.549 1.00 8.92 N ATOM 905 CA SER A 57 12.880 3.765 -1.052 1.00 9.00 C ATOM 906 C SER A 57 12.757 4.950 -0.105 1.00 9.44 C ATOM 907 O SER A 57 13.391 4.927 1.005 1.00 10.91 O ATOM 908 CB SER A 57 13.847 4.090 -2.135 1.00 10.32 C ATOM 909 OG SER A 57 15.239 4.101 -1.699 1.00 13.59 O ATOM 0 H SER A 57 11.483 3.418 -2.564 1.00 8.92 H new ATOM 0 HA SER A 57 13.280 2.903 -0.518 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.734 3.364 -2.940 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.598 5.067 -2.550 1.00 10.32 H new ATOM 0 HG SER A 57 15.818 4.320 -2.459 1.00 13.59 H new ATOM 915 N ASP A 58 11.887 5.952 -0.406 1.00 9.11 N ATOM 916 CA ASP A 58 11.814 7.182 0.368 1.00 7.91 C ATOM 917 C ASP A 58 11.330 6.958 1.735 1.00 9.12 C ATOM 918 O ASP A 58 11.788 7.465 2.718 1.00 8.61 O ATOM 919 CB ASP A 58 10.782 8.095 -0.320 1.00 8.41 C ATOM 920 CG ASP A 58 11.300 8.626 -1.636 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.229 9.482 -1.675 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.789 8.168 -2.680 1.00 11.70 O ATOM 0 H ASP A 58 11.231 5.913 -1.186 1.00 9.11 H new ATOM 0 HA ASP A 58 12.816 7.609 0.418 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.859 7.540 -0.489 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.537 8.928 0.338 1.00 8.41 H new ATOM 927 N TYR A 59 10.395 5.985 1.934 1.00 7.97 N ATOM 928 CA TYR A 59 9.862 5.655 3.233 1.00 8.45 C ATOM 929 C TYR A 59 10.677 4.656 3.985 1.00 10.98 C ATOM 930 O TYR A 59 10.518 4.371 5.165 1.00 12.95 O ATOM 931 CB TYR A 59 8.397 5.119 3.017 1.00 7.94 C ATOM 932 CG TYR A 59 7.413 6.298 2.761 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.200 7.416 3.632 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.634 6.263 1.592 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.292 8.448 3.276 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.830 7.317 1.254 1.00 6.52 C ATOM 937 CZ TYR A 59 5.670 8.380 2.039 1.00 6.76 C ATOM 938 OH TYR A 59 4.695 9.402 1.758 1.00 7.63 O ATOM 0 H TYR A 59 10.007 5.422 1.177 1.00 7.97 H new ATOM 0 HA TYR A 59 9.879 6.555 3.848 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.377 4.431 2.171 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.077 4.556 3.894 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.735 7.474 4.568 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.670 5.393 0.953 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.091 9.266 3.952 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.303 7.285 0.312 1.00 6.52 H new ATOM 0 HH TYR A 59 5.124 10.282 1.797 1.00 7.63 H new ATOM 948 N ASN A 60 11.789 4.206 3.411 1.00 12.38 N ATOM 949 CA ASN A 60 12.636 3.074 3.869 1.00 13.94 C ATOM 950 C ASN A 60 11.985 1.680 3.925 1.00 14.16 C ATOM 951 O ASN A 60 12.119 0.847 4.819 1.00 14.26 O ATOM 952 CB ASN A 60 13.498 3.393 5.080 1.00 19.23 C ATOM 953 CG ASN A 60 14.174 4.751 5.011 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.588 5.821 5.030 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.539 4.783 5.096 1.00 24.09 N ATOM 0 H ASN A 60 12.157 4.637 2.563 1.00 12.38 H new ATOM 0 HA ASN A 60 13.320 2.968 3.027 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.879 3.351 5.976 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.262 2.622 5.184 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.024 5.677 5.171 1.00 24.09 H new ATOM 0 HD22 ASN A 60 16.071 3.913 5.084 1.00 24.09 H new ATOM 962 N ILE A 61 11.206 1.371 2.902 1.00 11.08 N ATOM 963 CA ILE A 61 10.484 0.135 2.794 1.00 11.78 C ATOM 964 C ILE A 61 11.326 -0.829 2.028 1.00 13.74 C ATOM 965 O ILE A 61 11.767 -0.570 0.925 1.00 14.60 O ATOM 966 CB ILE A 61 9.144 0.231 2.080 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.247 1.362 2.609 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.425 -1.150 2.232 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.945 1.545 1.843 1.00 11.42 C ATOM 0 H ILE A 61 11.061 1.995 2.109 1.00 11.08 H new ATOM 0 HA ILE A 61 10.274 -0.178 3.817 1.00 11.78 H new ATOM 0 HB ILE A 61 9.330 0.473 1.034 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.014 1.164 3.655 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.806 2.297 2.578 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.458 -1.114 1.729 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.039 -1.931 1.783 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.276 -1.368 3.290 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.375 2.363 2.284 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.165 1.777 0.801 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.360 0.627 1.895 1.00 11.42 H new ATOM 981 N GLN A 62 11.545 -2.051 2.574 1.00 13.97 N ATOM 982 CA GLN A 62 12.617 -2.993 2.272 1.00 15.52 C ATOM 983 C GLN A 62 12.063 -4.413 2.178 1.00 13.94 C ATOM 984 O GLN A 62 10.868 -4.601 2.411 1.00 12.15 O ATOM 985 CB GLN A 62 13.878 -2.799 3.191 1.00 19.53 C ATOM 986 CG GLN A 62 13.618 -2.497 4.709 1.00 26.38 C ATOM 987 CD GLN A 62 14.876 -2.062 5.377 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.124 -0.875 5.336 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.636 -2.985 6.020 1.00 32.71 N ATOM 0 H GLN A 62 10.920 -2.419 3.291 1.00 13.97 H new ATOM 0 HA GLN A 62 13.018 -2.775 1.282 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.486 -3.701 3.125 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.473 -1.983 2.781 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.860 -1.720 4.807 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.227 -3.387 5.201 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.362 -3.968 6.010 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.481 -2.696 6.513 1.00 32.71 H new ATOM 998 N LYS A 63 12.865 -5.432 1.753 1.00 11.73 N ATOM 999 CA LYS A 63 12.336 -6.816 1.610 1.00 11.97 C ATOM 1000 C LYS A 63 11.440 -7.358 2.763 1.00 10.41 C ATOM 1001 O LYS A 63 11.761 -7.438 3.923 1.00 9.59 O ATOM 1002 CB LYS A 63 13.524 -7.758 1.416 1.00 13.73 C ATOM 1003 CG LYS A 63 13.090 -9.275 1.072 1.00 16.98 C ATOM 1004 CD LYS A 63 14.314 -10.123 0.652 1.00 20.19 C ATOM 1005 CE LYS A 63 15.276 -10.600 1.809 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.325 -11.433 1.239 1.00 25.97 N ATOM 0 H LYS A 63 13.850 -5.325 1.511 1.00 11.73 H new ATOM 0 HA LYS A 63 11.663 -6.774 0.754 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.153 -7.377 0.612 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.130 -7.758 2.322 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.612 -9.726 1.942 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.353 -9.272 0.269 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.952 -11.006 0.125 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.901 -9.544 -0.061 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.712 -9.739 2.315 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.716 -11.160 2.558 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.964 -11.752 1.995 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.898 -12.260 0.775 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.863 -10.883 0.540 1.00 25.97 H new ATOM 1020 N GLU A 64 10.191 -7.636 2.389 1.00 10.04 N ATOM 1021 CA GLU A 64 9.172 -8.277 3.312 1.00 10.94 C ATOM 1022 C GLU A 64 8.788 -7.435 4.472 1.00 9.74 C ATOM 1023 O GLU A 64 8.065 -7.822 5.370 1.00 9.42 O ATOM 1024 CB GLU A 64 9.483 -9.760 3.527 1.00 18.31 C ATOM 1025 CG GLU A 64 9.598 -10.607 2.267 1.00 24.16 C ATOM 1026 CD GLU A 64 10.278 -11.898 2.537 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.026 -11.981 3.569 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.137 -12.833 1.742 1.00 31.72 O ATOM 0 H GLU A 64 9.831 -7.438 1.456 1.00 10.04 H new ATOM 0 HA GLU A 64 8.201 -8.310 2.818 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.419 -9.838 4.080 1.00 18.31 H new ATOM 0 HB3 GLU A 64 8.703 -10.187 4.158 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.603 -10.796 1.863 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.151 -10.056 1.507 1.00 24.16 H new ATOM 1035 N SER A 65 9.029 -6.142 4.347 1.00 6.85 N ATOM 1036 CA SER A 65 8.457 -5.146 5.289 1.00 6.90 C ATOM 1037 C SER A 65 6.924 -5.114 5.162 1.00 4.72 C ATOM 1038 O SER A 65 6.414 -5.245 4.054 1.00 3.91 O ATOM 1039 CB SER A 65 8.937 -3.781 5.012 1.00 7.28 C ATOM 1040 OG SER A 65 10.359 -3.749 4.950 1.00 10.56 O ATOM 0 H SER A 65 9.612 -5.740 3.612 1.00 6.85 H new ATOM 0 HA SER A 65 8.772 -5.451 6.287 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.519 -3.428 4.069 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.587 -3.102 5.790 1.00 7.28 H new ATOM 0 HG SER A 65 10.659 -4.163 4.114 1.00 10.56 H new ATOM 1046 N THR A 66 6.228 -4.979 6.317 1.00 4.48 N ATOM 1047 CA THR A 66 4.762 -5.096 6.404 1.00 3.80 C ATOM 1048 C THR A 66 4.157 -3.673 6.193 1.00 4.60 C ATOM 1049 O THR A 66 4.602 -2.667 6.706 1.00 5.33 O ATOM 1050 CB THR A 66 4.109 -5.628 7.653 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.661 -6.890 7.926 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.574 -5.874 7.471 1.00 3.40 C ATOM 0 H THR A 66 6.674 -4.785 7.214 1.00 4.48 H new ATOM 0 HA THR A 66 4.555 -5.855 5.649 1.00 3.80 H new ATOM 0 HB THR A 66 4.271 -4.891 8.440 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.252 -7.257 8.737 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.154 -6.257 8.401 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.084 -4.936 7.211 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.414 -6.601 6.674 1.00 3.40 H new ATOM 1060 N LEU A 67 3.063 -3.555 5.459 1.00 4.17 N ATOM 1061 CA LEU A 67 2.344 -2.330 5.167 1.00 3.85 C ATOM 1062 C LEU A 67 0.864 -2.540 5.626 1.00 3.80 C ATOM 1063 O LEU A 67 0.291 -3.602 5.408 1.00 5.54 O ATOM 1064 CB LEU A 67 2.219 -2.136 3.664 1.00 7.18 C ATOM 1065 CG LEU A 67 3.376 -1.382 2.955 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.713 -2.178 2.763 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.905 -0.807 1.567 1.00 11.66 C ATOM 0 H LEU A 67 2.626 -4.367 5.023 1.00 4.17 H new ATOM 0 HA LEU A 67 2.863 -1.501 5.648 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.121 -3.118 3.202 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.292 -1.597 3.467 1.00 7.18 H new ATOM 0 HG LEU A 67 3.620 -0.581 3.653 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.443 -1.546 2.257 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.103 -2.475 3.737 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.524 -3.067 2.162 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.733 -0.283 1.090 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.576 -1.626 0.927 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.079 -0.113 1.722 1.00 11.66 H new ATOM 1079 N HIS A 68 0.221 -1.534 6.228 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.127 -1.742 6.746 1.00 4.17 C ATOM 1081 C HIS A 68 -2.077 -1.122 5.697 1.00 5.32 C ATOM 1082 O HIS A 68 -1.757 -0.140 4.916 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.285 -1.304 8.176 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.702 -2.271 9.109 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.660 -2.586 9.140 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.238 -3.091 10.046 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.880 -3.534 10.044 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.263 -3.905 10.622 1.00 16.30 N ATOM 0 H HIS A 68 0.601 -0.597 6.364 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.384 -2.796 6.851 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.808 -0.333 8.314 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.343 -1.174 8.401 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.285 -3.111 10.312 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.850 -3.947 10.278 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.395 -4.627 11.331 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.313 -1.698 5.552 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.277 -1.252 4.600 1.00 3.97 C ATOM 1098 C LEU A 69 -5.672 -0.959 5.261 1.00 5.07 C ATOM 1099 O LEU A 69 -6.187 -1.664 6.182 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.368 -2.287 3.459 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.426 -2.141 2.378 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.305 -0.826 1.608 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.280 -3.298 1.390 1.00 9.96 C ATOM 0 H LEU A 69 -3.630 -2.487 6.116 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.953 -0.299 4.183 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.398 -2.306 2.962 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.509 -3.265 3.920 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.399 -2.149 2.868 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.086 -0.776 0.849 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.415 0.011 2.298 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.328 -0.774 1.128 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.034 -3.206 0.608 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.287 -3.271 0.942 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.415 -4.244 1.915 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.267 0.160 4.877 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.550 0.624 5.434 1.00 6.26 C ATOM 1117 C VAL A 70 -8.381 1.294 4.340 1.00 9.22 C ATOM 1118 O VAL A 70 -7.926 1.586 3.215 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.407 1.587 6.581 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.509 1.064 7.707 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.801 2.938 6.184 1.00 8.54 C ATOM 0 H VAL A 70 -5.880 0.782 4.167 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.043 -0.268 5.821 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.438 1.704 6.914 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.450 1.808 8.501 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.927 0.140 8.106 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.510 0.871 7.316 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.730 3.578 7.064 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.806 2.782 5.767 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.436 3.416 5.438 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.689 1.543 4.663 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.638 2.119 3.744 1.00 16.06 C ATOM 1133 C LEU A 71 -10.351 3.634 3.674 1.00 18.09 C ATOM 1134 O LEU A 71 -10.031 4.244 4.690 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.134 1.856 4.187 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.198 2.413 3.278 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.050 2.084 1.772 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.601 2.194 3.790 1.00 19.57 C ATOM 0 H LEU A 71 -10.084 1.337 5.581 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.525 1.653 2.765 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.283 0.780 4.272 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.277 2.277 5.182 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.010 3.486 3.322 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.872 2.537 1.218 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.103 2.480 1.404 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.070 1.003 1.632 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.316 2.620 3.086 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.788 1.125 3.894 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.714 2.678 4.760 1.00 19.57 H new