USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 674 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 0 HIS : no HD1:sc= -5.66! C(o=-16!,f=-25!) USER MOD Set 1.2: A 39 HIS :FLIP no HE2:sc= -8.72! C(o=-17!,f=-16!) USER MOD Set 1.3: A 52 GLN : amide:sc= -1.67! C(o=-16!,f=-17!) USER MOD Set 2.1: A 5 SER OG : rot 39:sc= 1.26 USER MOD Set 2.2: A 7 LYS NZ :NH3+ 152:sc= 0.207 (180deg=-0.901) USER MOD Set 2.3: A 62 SER OG : rot -115:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -2.18! C(o=-2.2!,f=-2.2!) USER MOD Single : A -5 HIS : no HD1:sc= 0.976 K(o=0.98,f=-4.4!) USER MOD Single : A -7 SER OG : rot 180:sc= 0 USER MOD Single : A -8 SER OG : rot 180:sc= 0 USER MOD Single : A -9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -9 HIS N :NH3+ -121:sc= 0.117 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -2.25 X(o=-2.3,f=-2.7!) USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= -0.052 (180deg=-0.331) USER MOD Single : A 29 GLN : amide:sc= -0.627! C(o=-0.63!,f=-1.8!) USER MOD Single : A 31 LYS NZ :NH3+ 144:sc= 2.03 (180deg=0.192!) USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= -1.55! (180deg=-3.14!) USER MOD Single : A 43 HIS : no HD1:sc= -6.05! C(o=-6!,f=-6.8!) USER MOD Single : A 45 LYS NZ :NH3+ -148:sc= 1.2 (180deg=0.839) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.777 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 55 ASN : amide:sc= -4.54! C(o=-4.5!,f=-5!) USER MOD Single : A 56 ASN : amide:sc= -0.204 K(o=-0.2,f=-2.1!) USER MOD Single : A 63 SER OG : rot 4:sc= 0.258 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0742 USER MOD Single : A 72 GLN : amide:sc= -0.353 K(o=-0.35,f=-1.5) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= -1.03! (180deg=-3.05!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -9 17.010 20.332 -13.985 1.00 10.50 N ATOM 2 CA HIS A -9 16.376 19.082 -14.469 1.00 10.47 C ATOM 3 C HIS A -9 14.885 19.308 -14.677 1.00 9.92 C ATOM 4 O HIS A -9 14.368 20.386 -14.384 1.00 9.95 O ATOM 5 CB HIS A -9 16.572 17.930 -13.468 1.00 10.88 C ATOM 6 CG HIS A -9 18.000 17.542 -13.221 1.00 11.33 C ATOM 7 ND1 HIS A -9 18.673 16.610 -13.985 1.00 11.58 N ATOM 8 CD2 HIS A -9 18.878 17.950 -12.276 1.00 11.79 C ATOM 9 CE1 HIS A -9 19.898 16.465 -13.519 1.00 12.14 C ATOM 10 NE2 HIS A -9 20.048 17.266 -12.486 1.00 12.26 N ATOM 0 H1 HIS A -9 17.752 20.625 -14.652 1.00 10.50 H new ATOM 0 H2 HIS A -9 16.292 21.081 -13.915 1.00 10.50 H new ATOM 0 H3 HIS A -9 17.431 20.168 -13.048 1.00 10.50 H new ATOM 0 HA HIS A -9 16.852 18.810 -15.411 1.00 10.47 H new ATOM 0 HB2 HIS A -9 16.118 18.213 -12.518 1.00 10.88 H new ATOM 0 HB3 HIS A -9 16.031 17.056 -13.832 1.00 10.88 H new ATOM 0 HD2 HIS A -9 18.692 18.679 -11.501 1.00 11.79 H new ATOM 0 HE1 HIS A -9 20.651 15.801 -13.918 1.00 12.14 H new ATOM 0 HE2 HIS A -9 20.898 17.363 -11.931 1.00 12.26 H new ATOM 19 N SER A -8 14.198 18.301 -15.189 1.00 9.64 N ATOM 20 CA SER A -8 12.755 18.370 -15.347 1.00 9.30 C ATOM 21 C SER A -8 12.141 16.984 -15.172 1.00 8.71 C ATOM 22 O SER A -8 11.491 16.706 -14.162 1.00 8.43 O ATOM 23 CB SER A -8 12.392 18.960 -16.716 1.00 9.57 C ATOM 24 OG SER A -8 11.009 19.265 -16.795 1.00 9.77 O ATOM 0 H SER A -8 14.616 17.425 -15.503 1.00 9.64 H new ATOM 0 HA SER A -8 12.348 19.027 -14.578 1.00 9.30 H new ATOM 0 HB2 SER A -8 12.976 19.863 -16.892 1.00 9.57 H new ATOM 0 HB3 SER A -8 12.656 18.252 -17.501 1.00 9.57 H new ATOM 0 HG SER A -8 10.807 19.641 -17.677 1.00 9.77 H new ATOM 30 N SER A -7 12.370 16.104 -16.139 1.00 8.68 N ATOM 31 CA SER A -7 11.801 14.767 -16.092 1.00 8.25 C ATOM 32 C SER A -7 12.825 13.745 -15.610 1.00 7.71 C ATOM 33 O SER A -7 12.505 12.571 -15.429 1.00 7.67 O ATOM 34 CB SER A -7 11.264 14.370 -17.465 1.00 9.17 C ATOM 35 OG SER A -7 10.351 15.338 -17.953 1.00 9.57 O ATOM 0 H SER A -7 12.944 16.293 -16.961 1.00 8.68 H new ATOM 0 HA SER A -7 10.977 14.779 -15.379 1.00 8.25 H new ATOM 0 HB2 SER A -7 12.092 14.260 -18.165 1.00 9.17 H new ATOM 0 HB3 SER A -7 10.771 13.400 -17.400 1.00 9.17 H new ATOM 0 HG SER A -7 10.022 15.063 -18.834 1.00 9.57 H new ATOM 41 N GLY A -6 14.056 14.191 -15.392 1.00 7.61 N ATOM 42 CA GLY A -6 15.056 13.337 -14.773 1.00 7.37 C ATOM 43 C GLY A -6 14.893 13.340 -13.265 1.00 6.38 C ATOM 44 O GLY A -6 15.808 12.999 -12.517 1.00 6.33 O ATOM 0 H GLY A -6 14.381 15.128 -15.632 1.00 7.61 H new ATOM 0 HA2 GLY A -6 14.961 12.320 -15.153 1.00 7.37 H new ATOM 0 HA3 GLY A -6 16.055 13.684 -15.038 1.00 7.37 H new ATOM 48 N HIS A -5 13.713 13.756 -12.839 1.00 5.88 N ATOM 49 CA HIS A -5 13.366 13.859 -11.438 1.00 5.12 C ATOM 50 C HIS A -5 12.311 12.816 -11.083 1.00 4.42 C ATOM 51 O HIS A -5 11.289 12.702 -11.762 1.00 4.55 O ATOM 52 CB HIS A -5 12.848 15.275 -11.157 1.00 5.41 C ATOM 53 CG HIS A -5 12.177 15.443 -9.826 1.00 5.17 C ATOM 54 ND1 HIS A -5 12.861 15.516 -8.634 1.00 5.51 N ATOM 55 CD2 HIS A -5 10.868 15.549 -9.509 1.00 5.06 C ATOM 56 CE1 HIS A -5 12.000 15.661 -7.643 1.00 5.66 C ATOM 57 NE2 HIS A -5 10.784 15.684 -8.149 1.00 5.36 N ATOM 0 H HIS A -5 12.960 14.035 -13.468 1.00 5.88 H new ATOM 0 HA HIS A -5 14.246 13.671 -10.823 1.00 5.12 H new ATOM 0 HB2 HIS A -5 13.684 15.972 -11.218 1.00 5.41 H new ATOM 0 HB3 HIS A -5 12.144 15.552 -11.941 1.00 5.41 H new ATOM 0 HD2 HIS A -5 10.039 15.531 -10.202 1.00 5.06 H new ATOM 0 HE1 HIS A -5 12.250 15.746 -6.596 1.00 5.66 H new ATOM 0 HE2 HIS A -5 9.921 15.786 -7.615 1.00 5.36 H new ATOM 66 N ILE A -4 12.561 12.055 -10.032 1.00 4.01 N ATOM 67 CA ILE A -4 11.604 11.067 -9.572 1.00 3.41 C ATOM 68 C ILE A -4 10.805 11.627 -8.398 1.00 2.79 C ATOM 69 O ILE A -4 11.372 12.080 -7.400 1.00 3.10 O ATOM 70 CB ILE A -4 12.292 9.729 -9.182 1.00 3.87 C ATOM 71 CG1 ILE A -4 11.259 8.708 -8.691 1.00 3.82 C ATOM 72 CG2 ILE A -4 13.373 9.941 -8.130 1.00 4.31 C ATOM 73 CD1 ILE A -4 10.279 8.279 -9.763 1.00 4.25 C ATOM 0 H ILE A -4 13.419 12.103 -9.482 1.00 4.01 H new ATOM 0 HA ILE A -4 10.925 10.848 -10.396 1.00 3.41 H new ATOM 0 HB ILE A -4 12.772 9.335 -10.078 1.00 3.87 H new ATOM 0 HG12 ILE A -4 11.780 7.828 -8.313 1.00 3.82 H new ATOM 0 HG13 ILE A -4 10.706 9.135 -7.854 1.00 3.82 H new ATOM 0 HG21 ILE A -4 13.832 8.984 -7.882 1.00 4.31 H new ATOM 0 HG22 ILE A -4 14.133 10.618 -8.521 1.00 4.31 H new ATOM 0 HG23 ILE A -4 12.929 10.373 -7.234 1.00 4.31 H new ATOM 0 HD11 ILE A -4 9.577 7.556 -9.346 1.00 4.25 H new ATOM 0 HD12 ILE A -4 9.732 9.149 -10.125 1.00 4.25 H new ATOM 0 HD13 ILE A -4 10.822 7.822 -10.590 1.00 4.25 H new ATOM 85 N GLU A -3 9.493 11.632 -8.544 1.00 2.65 N ATOM 86 CA GLU A -3 8.612 12.151 -7.514 1.00 2.74 C ATOM 87 C GLU A -3 8.452 11.139 -6.397 1.00 2.04 C ATOM 88 O GLU A -3 8.177 9.962 -6.652 1.00 2.60 O ATOM 89 CB GLU A -3 7.246 12.502 -8.109 1.00 3.81 C ATOM 90 CG GLU A -3 7.293 13.671 -9.077 1.00 4.47 C ATOM 91 CD GLU A -3 7.500 15.003 -8.382 1.00 5.44 C ATOM 92 OE1 GLU A -3 8.332 15.080 -7.456 1.00 5.87 O ATOM 93 OE2 GLU A -3 6.824 15.981 -8.752 1.00 6.04 O ATOM 0 H GLU A -3 9.011 11.280 -9.371 1.00 2.65 H new ATOM 0 HA GLU A -3 9.057 13.057 -7.103 1.00 2.74 H new ATOM 0 HB2 GLU A -3 6.847 11.628 -8.625 1.00 3.81 H new ATOM 0 HB3 GLU A -3 6.555 12.737 -7.300 1.00 3.81 H new ATOM 0 HG2 GLU A -3 8.099 13.511 -9.793 1.00 4.47 H new ATOM 0 HG3 GLU A -3 6.363 13.704 -9.645 1.00 4.47 H new ATOM 100 N GLY A -2 8.648 11.592 -5.168 1.00 1.45 N ATOM 101 CA GLY A -2 8.475 10.721 -4.029 1.00 1.14 C ATOM 102 C GLY A -2 7.036 10.303 -3.864 1.00 1.05 C ATOM 103 O GLY A -2 6.206 11.073 -3.387 1.00 1.37 O ATOM 0 H GLY A -2 8.924 12.547 -4.941 1.00 1.45 H new ATOM 0 HA2 GLY A -2 9.100 9.836 -4.149 1.00 1.14 H new ATOM 0 HA3 GLY A -2 8.812 11.230 -3.126 1.00 1.14 H new ATOM 107 N ARG A -1 6.738 9.092 -4.290 1.00 0.82 N ATOM 108 CA ARG A -1 5.411 8.531 -4.146 1.00 0.69 C ATOM 109 C ARG A -1 5.523 7.197 -3.427 1.00 0.61 C ATOM 110 O ARG A -1 6.616 6.637 -3.326 1.00 0.73 O ATOM 111 CB ARG A -1 4.761 8.333 -5.519 1.00 0.76 C ATOM 112 CG ARG A -1 5.449 7.274 -6.367 1.00 0.86 C ATOM 113 CD ARG A -1 4.726 7.042 -7.684 1.00 1.44 C ATOM 114 NE ARG A -1 4.802 8.198 -8.575 1.00 1.94 N ATOM 115 CZ ARG A -1 3.771 8.663 -9.274 1.00 2.72 C ATOM 116 NH1 ARG A -1 2.564 8.118 -9.131 1.00 3.04 N ATOM 117 NH2 ARG A -1 3.947 9.679 -10.108 1.00 3.51 N ATOM 0 H ARG A -1 7.407 8.471 -4.745 1.00 0.82 H new ATOM 0 HA ARG A -1 4.787 9.214 -3.570 1.00 0.69 H new ATOM 0 HB2 ARG A -1 3.716 8.055 -5.381 1.00 0.76 H new ATOM 0 HB3 ARG A -1 4.770 9.281 -6.057 1.00 0.76 H new ATOM 0 HG2 ARG A -1 6.476 7.580 -6.566 1.00 0.86 H new ATOM 0 HG3 ARG A -1 5.497 6.338 -5.810 1.00 0.86 H new ATOM 0 HD2 ARG A -1 5.156 6.174 -8.183 1.00 1.44 H new ATOM 0 HD3 ARG A -1 3.680 6.809 -7.485 1.00 1.44 H new ATOM 0 HE ARG A -1 5.698 8.676 -8.666 1.00 1.94 H new ATOM 0 HH11 ARG A -1 2.428 7.341 -8.484 1.00 3.04 H new ATOM 0 HH12 ARG A -1 1.775 8.477 -9.669 1.00 3.04 H new ATOM 0 HH21 ARG A -1 4.870 10.100 -10.211 1.00 3.51 H new ATOM 0 HH22 ARG A -1 3.159 10.039 -10.646 1.00 3.51 H new ATOM 131 N HIS A 0 4.416 6.679 -2.929 1.00 0.50 N ATOM 132 CA HIS A 0 4.448 5.372 -2.299 1.00 0.53 C ATOM 133 C HIS A 0 3.421 4.441 -2.928 1.00 0.44 C ATOM 134 O HIS A 0 2.215 4.672 -2.862 1.00 0.41 O ATOM 135 CB HIS A 0 4.292 5.439 -0.759 1.00 0.61 C ATOM 136 CG HIS A 0 3.081 6.166 -0.231 1.00 0.57 C ATOM 137 ND1 HIS A 0 3.132 7.009 0.857 1.00 0.79 N ATOM 138 CD2 HIS A 0 1.789 6.144 -0.615 1.00 0.51 C ATOM 139 CE1 HIS A 0 1.922 7.471 1.116 1.00 0.85 C ATOM 140 NE2 HIS A 0 1.086 6.962 0.233 1.00 0.66 N ATOM 0 H HIS A 0 3.502 7.131 -2.947 1.00 0.50 H new ATOM 0 HA HIS A 0 5.440 4.959 -2.481 1.00 0.53 H new ATOM 0 HB2 HIS A 0 4.271 4.419 -0.375 1.00 0.61 H new ATOM 0 HB3 HIS A 0 5.181 5.916 -0.348 1.00 0.61 H new ATOM 0 HD2 HIS A 0 1.380 5.583 -1.442 1.00 0.51 H new ATOM 0 HE1 HIS A 0 1.662 8.150 1.915 1.00 0.85 H new ATOM 0 HE2 HIS A 0 0.084 7.146 0.188 1.00 0.66 H new ATOM 149 N MET A 1 3.915 3.407 -3.574 1.00 0.50 N ATOM 150 CA MET A 1 3.058 2.370 -4.105 1.00 0.47 C ATOM 151 C MET A 1 3.109 1.171 -3.180 1.00 0.43 C ATOM 152 O MET A 1 4.080 0.413 -3.181 1.00 0.51 O ATOM 153 CB MET A 1 3.488 1.982 -5.519 1.00 0.56 C ATOM 154 CG MET A 1 2.627 0.892 -6.147 1.00 0.56 C ATOM 155 SD MET A 1 3.233 0.371 -7.766 1.00 0.67 S ATOM 156 CE MET A 1 2.035 -0.893 -8.191 1.00 1.75 C ATOM 0 H MET A 1 4.910 3.262 -3.745 1.00 0.50 H new ATOM 0 HA MET A 1 2.034 2.740 -4.164 1.00 0.47 H new ATOM 0 HB2 MET A 1 3.457 2.867 -6.154 1.00 0.56 H new ATOM 0 HB3 MET A 1 4.524 1.644 -5.494 1.00 0.56 H new ATOM 0 HG2 MET A 1 2.596 0.030 -5.481 1.00 0.56 H new ATOM 0 HG3 MET A 1 1.604 1.255 -6.246 1.00 0.56 H new ATOM 0 HE1 MET A 1 2.277 -1.310 -9.168 1.00 1.75 H new ATOM 0 HE2 MET A 1 2.060 -1.685 -7.442 1.00 1.75 H new ATOM 0 HE3 MET A 1 1.038 -0.454 -8.221 1.00 1.75 H new ATOM 166 N LEU A 2 2.074 1.011 -2.377 1.00 0.34 N ATOM 167 CA LEU A 2 2.064 -0.039 -1.382 1.00 0.32 C ATOM 168 C LEU A 2 1.223 -1.199 -1.864 1.00 0.30 C ATOM 169 O LEU A 2 0.021 -1.062 -2.103 1.00 0.33 O ATOM 170 CB LEU A 2 1.538 0.484 -0.039 1.00 0.33 C ATOM 171 CG LEU A 2 1.802 -0.431 1.174 1.00 0.38 C ATOM 172 CD1 LEU A 2 0.757 -1.528 1.282 1.00 0.36 C ATOM 173 CD2 LEU A 2 3.184 -1.060 1.089 1.00 0.50 C ATOM 0 H LEU A 2 1.236 1.592 -2.395 1.00 0.34 H new ATOM 0 HA LEU A 2 3.087 -0.382 -1.231 1.00 0.32 H new ATOM 0 HB2 LEU A 2 1.990 1.457 0.155 1.00 0.33 H new ATOM 0 HB3 LEU A 2 0.463 0.643 -0.126 1.00 0.33 H new ATOM 0 HG LEU A 2 1.745 0.195 2.064 1.00 0.38 H new ATOM 0 HD11 LEU A 2 0.974 -2.154 2.148 1.00 0.36 H new ATOM 0 HD12 LEU A 2 -0.230 -1.080 1.397 1.00 0.36 H new ATOM 0 HD13 LEU A 2 0.776 -2.139 0.379 1.00 0.36 H new ATOM 0 HD21 LEU A 2 3.346 -1.701 1.956 1.00 0.50 H new ATOM 0 HD22 LEU A 2 3.257 -1.655 0.179 1.00 0.50 H new ATOM 0 HD23 LEU A 2 3.940 -0.275 1.071 1.00 0.50 H new ATOM 185 N VAL A 3 1.871 -2.336 -2.012 1.00 0.42 N ATOM 186 CA VAL A 3 1.219 -3.538 -2.439 1.00 0.40 C ATOM 187 C VAL A 3 0.600 -4.271 -1.251 1.00 0.40 C ATOM 188 O VAL A 3 1.285 -4.637 -0.297 1.00 0.52 O ATOM 189 CB VAL A 3 2.206 -4.450 -3.185 1.00 0.54 C ATOM 190 CG1 VAL A 3 2.314 -4.036 -4.645 1.00 1.03 C ATOM 191 CG2 VAL A 3 3.577 -4.411 -2.526 1.00 1.53 C ATOM 0 H VAL A 3 2.870 -2.444 -1.836 1.00 0.42 H new ATOM 0 HA VAL A 3 0.416 -3.266 -3.124 1.00 0.40 H new ATOM 0 HB VAL A 3 1.828 -5.471 -3.138 1.00 0.54 H new ATOM 0 HG11 VAL A 3 3.017 -4.692 -5.158 1.00 1.03 H new ATOM 0 HG12 VAL A 3 1.335 -4.112 -5.118 1.00 1.03 H new ATOM 0 HG13 VAL A 3 2.668 -3.007 -4.706 1.00 1.03 H new ATOM 0 HG21 VAL A 3 4.261 -5.063 -3.069 1.00 1.53 H new ATOM 0 HG22 VAL A 3 3.959 -3.390 -2.542 1.00 1.53 H new ATOM 0 HG23 VAL A 3 3.494 -4.751 -1.494 1.00 1.53 H new ATOM 201 N LEU A 4 -0.700 -4.471 -1.324 1.00 0.34 N ATOM 202 CA LEU A 4 -1.439 -5.163 -0.288 1.00 0.41 C ATOM 203 C LEU A 4 -1.879 -6.493 -0.856 1.00 0.36 C ATOM 204 O LEU A 4 -2.358 -6.556 -1.990 1.00 0.32 O ATOM 205 CB LEU A 4 -2.663 -4.342 0.119 1.00 0.49 C ATOM 206 CG LEU A 4 -3.086 -4.422 1.595 1.00 0.96 C ATOM 207 CD1 LEU A 4 -3.708 -5.774 1.919 1.00 1.85 C ATOM 208 CD2 LEU A 4 -1.898 -4.151 2.509 1.00 1.66 C ATOM 0 H LEU A 4 -1.275 -4.157 -2.106 1.00 0.34 H new ATOM 0 HA LEU A 4 -0.816 -5.307 0.595 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -2.468 -3.297 -0.123 1.00 0.49 H new ATOM 0 HB3 LEU A 4 -3.506 -4.660 -0.495 1.00 0.49 H new ATOM 0 HG LEU A 4 -3.841 -3.654 1.767 1.00 0.96 H new ATOM 0 HD11 LEU A 4 -3.997 -5.799 2.970 1.00 1.85 H new ATOM 0 HD12 LEU A 4 -4.590 -5.927 1.297 1.00 1.85 H new ATOM 0 HD13 LEU A 4 -2.983 -6.564 1.723 1.00 1.85 H new ATOM 0 HD21 LEU A 4 -2.218 -4.212 3.549 1.00 1.66 H new ATOM 0 HD22 LEU A 4 -1.120 -4.892 2.324 1.00 1.66 H new ATOM 0 HD23 LEU A 4 -1.504 -3.154 2.308 1.00 1.66 H new ATOM 220 N SER A 5 -1.741 -7.554 -0.097 1.00 0.42 N ATOM 221 CA SER A 5 -1.999 -8.857 -0.648 1.00 0.43 C ATOM 222 C SER A 5 -3.476 -9.208 -0.525 1.00 0.43 C ATOM 223 O SER A 5 -3.986 -9.469 0.563 1.00 0.55 O ATOM 224 CB SER A 5 -1.109 -9.907 0.022 1.00 0.55 C ATOM 225 OG SER A 5 -1.251 -9.885 1.431 1.00 1.19 O ATOM 0 H SER A 5 -1.458 -7.541 0.883 1.00 0.42 H new ATOM 0 HA SER A 5 -1.753 -8.845 -1.710 1.00 0.43 H new ATOM 0 HB2 SER A 5 -1.365 -10.897 -0.355 1.00 0.55 H new ATOM 0 HB3 SER A 5 -0.067 -9.725 -0.243 1.00 0.55 H new ATOM 0 HG SER A 5 -2.192 -9.740 1.663 1.00 1.19 H new ATOM 231 N ARG A 6 -4.157 -9.199 -1.662 1.00 0.37 N ATOM 232 CA ARG A 6 -5.581 -9.468 -1.717 1.00 0.42 C ATOM 233 C ARG A 6 -5.871 -10.284 -2.962 1.00 0.38 C ATOM 234 O ARG A 6 -5.694 -9.809 -4.083 1.00 0.37 O ATOM 235 CB ARG A 6 -6.361 -8.149 -1.749 1.00 0.50 C ATOM 236 CG ARG A 6 -7.871 -8.329 -1.743 1.00 0.96 C ATOM 237 CD ARG A 6 -8.367 -8.832 -0.400 1.00 1.31 C ATOM 238 NE ARG A 6 -8.243 -7.815 0.645 1.00 1.92 N ATOM 239 CZ ARG A 6 -8.648 -7.988 1.905 1.00 2.57 C ATOM 240 NH1 ARG A 6 -9.153 -9.153 2.291 1.00 2.77 N ATOM 241 NH2 ARG A 6 -8.539 -7.001 2.786 1.00 3.50 N ATOM 0 H ARG A 6 -3.735 -9.005 -2.570 1.00 0.37 H new ATOM 0 HA ARG A 6 -5.891 -10.026 -0.834 1.00 0.42 H new ATOM 0 HB2 ARG A 6 -6.073 -7.546 -0.888 1.00 0.50 H new ATOM 0 HB3 ARG A 6 -6.075 -7.590 -2.640 1.00 0.50 H new ATOM 0 HG2 ARG A 6 -8.352 -7.379 -1.977 1.00 0.96 H new ATOM 0 HG3 ARG A 6 -8.157 -9.033 -2.524 1.00 0.96 H new ATOM 0 HD2 ARG A 6 -9.410 -9.135 -0.489 1.00 1.31 H new ATOM 0 HD3 ARG A 6 -7.801 -9.718 -0.113 1.00 1.31 H new ATOM 0 HE ARG A 6 -7.822 -6.920 0.395 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -9.233 -9.920 1.624 1.00 2.77 H new ATOM 0 HH12 ARG A 6 -9.461 -9.281 3.255 1.00 2.77 H new ATOM 0 HH21 ARG A 6 -8.144 -6.105 2.501 1.00 3.50 H new ATOM 0 HH22 ARG A 6 -8.850 -7.139 3.748 1.00 3.50 H new ATOM 255 N LYS A 7 -6.369 -11.487 -2.772 1.00 0.40 N ATOM 256 CA LYS A 7 -6.416 -12.457 -3.852 1.00 0.42 C ATOM 257 C LYS A 7 -7.820 -12.545 -4.411 1.00 0.45 C ATOM 258 O LYS A 7 -8.365 -13.626 -4.635 1.00 0.61 O ATOM 259 CB LYS A 7 -5.912 -13.824 -3.366 1.00 0.47 C ATOM 260 CG LYS A 7 -4.500 -13.780 -2.783 1.00 0.64 C ATOM 261 CD LYS A 7 -4.506 -13.386 -1.312 1.00 0.77 C ATOM 262 CE LYS A 7 -3.197 -12.750 -0.877 1.00 0.66 C ATOM 263 NZ LYS A 7 -3.233 -12.369 0.563 1.00 0.85 N ATOM 0 H LYS A 7 -6.746 -11.819 -1.884 1.00 0.40 H new ATOM 0 HA LYS A 7 -5.756 -12.131 -4.656 1.00 0.42 H new ATOM 0 HB2 LYS A 7 -6.597 -14.207 -2.610 1.00 0.47 H new ATOM 0 HB3 LYS A 7 -5.931 -14.527 -4.199 1.00 0.47 H new ATOM 0 HG2 LYS A 7 -4.030 -14.757 -2.895 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -3.896 -13.069 -3.347 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -5.324 -12.689 -1.129 1.00 0.77 H new ATOM 0 HD3 LYS A 7 -4.698 -14.269 -0.703 1.00 0.77 H new ATOM 0 HE2 LYS A 7 -2.376 -13.446 -1.051 1.00 0.66 H new ATOM 0 HE3 LYS A 7 -3.000 -11.867 -1.484 1.00 0.66 H new ATOM 0 HZ1 LYS A 7 -2.269 -12.392 0.952 1.00 0.85 H new ATOM 0 HZ2 LYS A 7 -3.622 -11.409 0.659 1.00 0.85 H new ATOM 0 HZ3 LYS A 7 -3.833 -13.039 1.085 1.00 0.85 H new ATOM 277 N ILE A 8 -8.377 -11.373 -4.667 1.00 0.47 N ATOM 278 CA ILE A 8 -9.763 -11.239 -5.081 1.00 0.53 C ATOM 279 C ILE A 8 -9.832 -10.420 -6.357 1.00 0.54 C ATOM 280 O ILE A 8 -10.766 -10.552 -7.149 1.00 0.66 O ATOM 281 CB ILE A 8 -10.599 -10.530 -3.987 1.00 0.62 C ATOM 282 CG1 ILE A 8 -10.327 -11.155 -2.614 1.00 0.66 C ATOM 283 CG2 ILE A 8 -12.086 -10.596 -4.317 1.00 0.72 C ATOM 284 CD1 ILE A 8 -10.812 -12.581 -2.484 1.00 1.17 C ATOM 0 H ILE A 8 -7.879 -10.486 -4.593 1.00 0.47 H new ATOM 0 HA ILE A 8 -10.169 -12.237 -5.247 1.00 0.53 H new ATOM 0 HB ILE A 8 -10.301 -9.482 -3.956 1.00 0.62 H new ATOM 0 HG12 ILE A 8 -9.255 -11.127 -2.419 1.00 0.66 H new ATOM 0 HG13 ILE A 8 -10.807 -10.547 -1.847 1.00 0.66 H new ATOM 0 HG21 ILE A 8 -12.655 -10.092 -3.536 1.00 0.72 H new ATOM 0 HG22 ILE A 8 -12.269 -10.105 -5.273 1.00 0.72 H new ATOM 0 HG23 ILE A 8 -12.399 -11.638 -4.379 1.00 0.72 H new ATOM 0 HD11 ILE A 8 -10.583 -12.953 -1.485 1.00 1.17 H new ATOM 0 HD12 ILE A 8 -11.889 -12.615 -2.646 1.00 1.17 H new ATOM 0 HD13 ILE A 8 -10.313 -13.204 -3.226 1.00 1.17 H new ATOM 296 N ASN A 9 -8.813 -9.573 -6.535 1.00 0.50 N ATOM 297 CA ASN A 9 -8.749 -8.634 -7.653 1.00 0.51 C ATOM 298 C ASN A 9 -9.875 -7.617 -7.529 1.00 0.56 C ATOM 299 O ASN A 9 -10.289 -6.987 -8.504 1.00 0.74 O ATOM 300 CB ASN A 9 -8.818 -9.379 -8.987 1.00 0.60 C ATOM 301 CG ASN A 9 -8.083 -8.671 -10.105 1.00 1.27 C ATOM 302 OD1 ASN A 9 -8.132 -7.450 -10.241 1.00 2.27 O ATOM 303 ND2 ASN A 9 -7.355 -9.444 -10.890 1.00 1.56 N ATOM 0 H ASN A 9 -8.011 -9.521 -5.907 1.00 0.50 H new ATOM 0 HA ASN A 9 -7.797 -8.104 -7.623 1.00 0.51 H new ATOM 0 HB2 ASN A 9 -8.399 -10.377 -8.860 1.00 0.60 H new ATOM 0 HB3 ASN A 9 -9.863 -9.506 -9.271 1.00 0.60 H new ATOM 0 HD21 ASN A 9 -6.805 -9.032 -11.644 1.00 1.56 H new ATOM 0 HD22 ASN A 9 -7.343 -10.453 -10.743 1.00 1.56 H new ATOM 310 N GLU A 10 -10.365 -7.464 -6.307 1.00 0.74 N ATOM 311 CA GLU A 10 -11.379 -6.475 -6.009 1.00 0.81 C ATOM 312 C GLU A 10 -10.762 -5.084 -6.031 1.00 0.77 C ATOM 313 O GLU A 10 -9.539 -4.939 -6.027 1.00 1.04 O ATOM 314 CB GLU A 10 -12.023 -6.755 -4.646 1.00 0.87 C ATOM 315 CG GLU A 10 -11.034 -6.774 -3.484 1.00 0.82 C ATOM 316 CD GLU A 10 -11.713 -6.948 -2.140 1.00 0.95 C ATOM 317 OE1 GLU A 10 -12.421 -6.019 -1.705 1.00 1.12 O ATOM 318 OE2 GLU A 10 -11.551 -8.017 -1.514 1.00 1.11 O ATOM 0 H GLU A 10 -10.071 -8.019 -5.503 1.00 0.74 H new ATOM 0 HA GLU A 10 -12.159 -6.530 -6.769 1.00 0.81 H new ATOM 0 HB2 GLU A 10 -12.782 -5.997 -4.452 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -12.536 -7.716 -4.689 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -10.320 -7.584 -3.633 1.00 0.82 H new ATOM 0 HG3 GLU A 10 -10.465 -5.844 -3.481 1.00 0.82 H new ATOM 325 N ALA A 11 -11.603 -4.072 -6.025 1.00 0.53 N ATOM 326 CA ALA A 11 -11.139 -2.700 -6.110 1.00 0.46 C ATOM 327 C ALA A 11 -11.326 -2.019 -4.775 1.00 0.38 C ATOM 328 O ALA A 11 -12.355 -2.196 -4.122 1.00 0.41 O ATOM 329 CB ALA A 11 -11.892 -1.950 -7.197 1.00 0.56 C ATOM 0 H ALA A 11 -12.616 -4.172 -5.962 1.00 0.53 H new ATOM 0 HA ALA A 11 -10.080 -2.698 -6.367 1.00 0.46 H new ATOM 0 HB1 ALA A 11 -11.531 -0.923 -7.247 1.00 0.56 H new ATOM 0 HB2 ALA A 11 -11.728 -2.439 -8.157 1.00 0.56 H new ATOM 0 HB3 ALA A 11 -12.958 -1.950 -6.967 1.00 0.56 H new ATOM 335 N ILE A 12 -10.340 -1.245 -4.363 1.00 0.34 N ATOM 336 CA ILE A 12 -10.393 -0.639 -3.053 1.00 0.32 C ATOM 337 C ILE A 12 -10.689 0.847 -3.167 1.00 0.28 C ATOM 338 O ILE A 12 -9.862 1.630 -3.628 1.00 0.33 O ATOM 339 CB ILE A 12 -9.069 -0.851 -2.284 1.00 0.39 C ATOM 340 CG1 ILE A 12 -8.635 -2.320 -2.340 1.00 0.42 C ATOM 341 CG2 ILE A 12 -9.217 -0.405 -0.837 1.00 0.46 C ATOM 342 CD1 ILE A 12 -9.628 -3.281 -1.717 1.00 0.98 C ATOM 0 H ILE A 12 -9.507 -1.025 -4.909 1.00 0.34 H new ATOM 0 HA ILE A 12 -11.195 -1.123 -2.496 1.00 0.32 H new ATOM 0 HB ILE A 12 -8.300 -0.245 -2.762 1.00 0.39 H new ATOM 0 HG12 ILE A 12 -8.477 -2.602 -3.381 1.00 0.42 H new ATOM 0 HG13 ILE A 12 -7.676 -2.424 -1.832 1.00 0.42 H new ATOM 0 HG21 ILE A 12 -8.276 -0.561 -0.310 1.00 0.46 H new ATOM 0 HG22 ILE A 12 -9.478 0.653 -0.807 1.00 0.46 H new ATOM 0 HG23 ILE A 12 -10.003 -0.987 -0.356 1.00 0.46 H new ATOM 0 HD11 ILE A 12 -9.248 -4.299 -1.797 1.00 0.98 H new ATOM 0 HD12 ILE A 12 -9.769 -3.028 -0.666 1.00 0.98 H new ATOM 0 HD13 ILE A 12 -10.582 -3.208 -2.239 1.00 0.98 H new ATOM 354 N GLN A 13 -11.897 1.207 -2.761 1.00 0.25 N ATOM 355 CA GLN A 13 -12.327 2.594 -2.687 1.00 0.26 C ATOM 356 C GLN A 13 -12.616 2.933 -1.237 1.00 0.25 C ATOM 357 O GLN A 13 -13.655 2.564 -0.694 1.00 0.30 O ATOM 358 CB GLN A 13 -13.575 2.814 -3.562 1.00 0.33 C ATOM 359 CG GLN A 13 -14.359 4.088 -3.246 1.00 0.40 C ATOM 360 CD GLN A 13 -13.591 5.367 -3.533 1.00 0.81 C ATOM 361 OE1 GLN A 13 -13.661 5.914 -4.629 1.00 1.62 O ATOM 362 NE2 GLN A 13 -12.874 5.871 -2.541 1.00 0.91 N ATOM 0 H GLN A 13 -12.612 0.539 -2.471 1.00 0.25 H new ATOM 0 HA GLN A 13 -11.541 3.249 -3.062 1.00 0.26 H new ATOM 0 HB2 GLN A 13 -13.269 2.842 -4.608 1.00 0.33 H new ATOM 0 HB3 GLN A 13 -14.239 1.957 -3.447 1.00 0.33 H new ATOM 0 HG2 GLN A 13 -15.281 4.090 -3.828 1.00 0.40 H new ATOM 0 HG3 GLN A 13 -14.646 4.076 -2.195 1.00 0.40 H new ATOM 0 HE21 GLN A 13 -12.838 5.390 -1.642 1.00 0.91 H new ATOM 0 HE22 GLN A 13 -12.358 6.740 -2.675 1.00 0.91 H new ATOM 371 N ILE A 14 -11.674 3.596 -0.601 1.00 0.25 N ATOM 372 CA ILE A 14 -11.834 3.954 0.789 1.00 0.26 C ATOM 373 C ILE A 14 -11.870 5.462 0.960 1.00 0.29 C ATOM 374 O ILE A 14 -10.920 6.176 0.596 1.00 0.30 O ATOM 375 CB ILE A 14 -10.754 3.328 1.703 1.00 0.26 C ATOM 376 CG1 ILE A 14 -9.330 3.695 1.256 1.00 0.28 C ATOM 377 CG2 ILE A 14 -10.932 1.817 1.750 1.00 0.29 C ATOM 378 CD1 ILE A 14 -8.765 2.823 0.152 1.00 0.31 C ATOM 0 H ILE A 14 -10.795 3.896 -1.022 1.00 0.25 H new ATOM 0 HA ILE A 14 -12.791 3.539 1.105 1.00 0.26 H new ATOM 0 HB ILE A 14 -10.885 3.739 2.704 1.00 0.26 H new ATOM 0 HG12 ILE A 14 -9.326 4.732 0.919 1.00 0.28 H new ATOM 0 HG13 ILE A 14 -8.667 3.638 2.120 1.00 0.28 H new ATOM 0 HG21 ILE A 14 -10.169 1.381 2.395 1.00 0.29 H new ATOM 0 HG22 ILE A 14 -11.920 1.579 2.144 1.00 0.29 H new ATOM 0 HG23 ILE A 14 -10.835 1.408 0.744 1.00 0.29 H new ATOM 0 HD11 ILE A 14 -7.758 3.157 -0.096 1.00 0.31 H new ATOM 0 HD12 ILE A 14 -8.731 1.787 0.488 1.00 0.31 H new ATOM 0 HD13 ILE A 14 -9.400 2.897 -0.731 1.00 0.31 H new ATOM 390 N GLY A 15 -13.011 5.936 1.447 1.00 0.33 N ATOM 391 CA GLY A 15 -13.192 7.330 1.764 1.00 0.39 C ATOM 392 C GLY A 15 -13.408 8.167 0.533 1.00 0.59 C ATOM 393 O GLY A 15 -14.524 8.615 0.263 1.00 1.36 O ATOM 0 H GLY A 15 -13.831 5.357 1.630 1.00 0.33 H new ATOM 0 HA2 GLY A 15 -14.046 7.441 2.432 1.00 0.39 H new ATOM 0 HA3 GLY A 15 -12.317 7.696 2.302 1.00 0.39 H new ATOM 397 N ALA A 16 -12.337 8.306 -0.231 1.00 0.46 N ATOM 398 CA ALA A 16 -12.279 9.153 -1.412 1.00 0.51 C ATOM 399 C ALA A 16 -10.822 9.355 -1.789 1.00 0.49 C ATOM 400 O ALA A 16 -10.486 9.597 -2.949 1.00 0.71 O ATOM 401 CB ALA A 16 -12.942 10.508 -1.176 1.00 0.71 C ATOM 0 H ALA A 16 -11.460 7.820 -0.042 1.00 0.46 H new ATOM 0 HA ALA A 16 -12.824 8.661 -2.218 1.00 0.51 H new ATOM 0 HB1 ALA A 16 -12.876 11.108 -2.083 1.00 0.71 H new ATOM 0 HB2 ALA A 16 -13.990 10.360 -0.914 1.00 0.71 H new ATOM 0 HB3 ALA A 16 -12.434 11.025 -0.361 1.00 0.71 H new ATOM 407 N ASP A 17 -9.963 9.225 -0.780 1.00 0.45 N ATOM 408 CA ASP A 17 -8.536 9.452 -0.930 1.00 0.47 C ATOM 409 C ASP A 17 -7.940 8.424 -1.867 1.00 0.40 C ATOM 410 O ASP A 17 -7.194 8.767 -2.785 1.00 0.45 O ATOM 411 CB ASP A 17 -7.827 9.371 0.428 1.00 0.53 C ATOM 412 CG ASP A 17 -6.398 9.869 0.363 1.00 1.10 C ATOM 413 OD1 ASP A 17 -6.191 11.025 -0.055 1.00 1.04 O ATOM 414 OD2 ASP A 17 -5.470 9.120 0.736 1.00 1.80 O ATOM 0 H ASP A 17 -10.242 8.959 0.164 1.00 0.45 H new ATOM 0 HA ASP A 17 -8.394 10.450 -1.345 1.00 0.47 H new ATOM 0 HB2 ASP A 17 -8.381 9.959 1.160 1.00 0.53 H new ATOM 0 HB3 ASP A 17 -7.834 8.339 0.778 1.00 0.53 H new ATOM 419 N ILE A 18 -8.293 7.161 -1.645 1.00 0.35 N ATOM 420 CA ILE A 18 -7.715 6.081 -2.421 1.00 0.35 C ATOM 421 C ILE A 18 -8.785 5.171 -3.026 1.00 0.31 C ATOM 422 O ILE A 18 -9.583 4.554 -2.317 1.00 0.30 O ATOM 423 CB ILE A 18 -6.735 5.246 -1.566 1.00 0.41 C ATOM 424 CG1 ILE A 18 -5.495 6.074 -1.208 1.00 0.54 C ATOM 425 CG2 ILE A 18 -6.325 3.970 -2.290 1.00 0.41 C ATOM 426 CD1 ILE A 18 -4.698 6.544 -2.408 1.00 0.61 C ATOM 0 H ILE A 18 -8.970 6.867 -0.941 1.00 0.35 H new ATOM 0 HA ILE A 18 -7.166 6.543 -3.241 1.00 0.35 H new ATOM 0 HB ILE A 18 -7.248 4.965 -0.646 1.00 0.41 H new ATOM 0 HG12 ILE A 18 -5.806 6.943 -0.629 1.00 0.54 H new ATOM 0 HG13 ILE A 18 -4.847 5.478 -0.565 1.00 0.54 H new ATOM 0 HG21 ILE A 18 -5.635 3.403 -1.665 1.00 0.41 H new ATOM 0 HG22 ILE A 18 -7.210 3.367 -2.494 1.00 0.41 H new ATOM 0 HG23 ILE A 18 -5.836 4.226 -3.230 1.00 0.41 H new ATOM 0 HD11 ILE A 18 -3.838 7.122 -2.070 1.00 0.61 H new ATOM 0 HD12 ILE A 18 -4.354 5.680 -2.977 1.00 0.61 H new ATOM 0 HD13 ILE A 18 -5.328 7.168 -3.042 1.00 0.61 H new ATOM 438 N GLU A 19 -8.816 5.152 -4.348 1.00 0.34 N ATOM 439 CA GLU A 19 -9.589 4.176 -5.110 1.00 0.35 C ATOM 440 C GLU A 19 -8.729 3.592 -6.229 1.00 0.36 C ATOM 441 O GLU A 19 -8.334 4.321 -7.142 1.00 0.44 O ATOM 442 CB GLU A 19 -10.837 4.831 -5.704 1.00 0.47 C ATOM 443 CG GLU A 19 -11.591 3.932 -6.670 1.00 1.35 C ATOM 444 CD GLU A 19 -12.809 4.604 -7.270 1.00 1.71 C ATOM 445 OE1 GLU A 19 -12.669 5.701 -7.849 1.00 2.07 O ATOM 446 OE2 GLU A 19 -13.916 4.033 -7.169 1.00 2.27 O ATOM 0 H GLU A 19 -8.304 5.816 -4.929 1.00 0.34 H new ATOM 0 HA GLU A 19 -9.899 3.375 -4.439 1.00 0.35 H new ATOM 0 HB2 GLU A 19 -11.506 5.122 -4.894 1.00 0.47 H new ATOM 0 HB3 GLU A 19 -10.547 5.745 -6.222 1.00 0.47 H new ATOM 0 HG2 GLU A 19 -10.920 3.624 -7.472 1.00 1.35 H new ATOM 0 HG3 GLU A 19 -11.901 3.026 -6.149 1.00 1.35 H new ATOM 453 N VAL A 20 -8.432 2.290 -6.162 1.00 0.36 N ATOM 454 CA VAL A 20 -7.591 1.641 -7.169 1.00 0.43 C ATOM 455 C VAL A 20 -7.315 0.174 -6.811 1.00 0.39 C ATOM 456 O VAL A 20 -7.277 -0.195 -5.636 1.00 0.36 O ATOM 457 CB VAL A 20 -6.239 2.387 -7.340 1.00 0.52 C ATOM 458 CG1 VAL A 20 -5.399 2.310 -6.071 1.00 0.52 C ATOM 459 CG2 VAL A 20 -5.465 1.849 -8.532 1.00 0.67 C ATOM 0 H VAL A 20 -8.761 1.668 -5.423 1.00 0.36 H new ATOM 0 HA VAL A 20 -8.142 1.678 -8.109 1.00 0.43 H new ATOM 0 HB VAL A 20 -6.465 3.437 -7.528 1.00 0.52 H new ATOM 0 HG11 VAL A 20 -4.460 2.842 -6.224 1.00 0.52 H new ATOM 0 HG12 VAL A 20 -5.944 2.767 -5.245 1.00 0.52 H new ATOM 0 HG13 VAL A 20 -5.191 1.266 -5.835 1.00 0.52 H new ATOM 0 HG21 VAL A 20 -4.523 2.389 -8.628 1.00 0.67 H new ATOM 0 HG22 VAL A 20 -5.262 0.788 -8.385 1.00 0.67 H new ATOM 0 HG23 VAL A 20 -6.054 1.983 -9.439 1.00 0.67 H new ATOM 469 N LYS A 21 -7.191 -0.664 -7.835 1.00 0.44 N ATOM 470 CA LYS A 21 -6.678 -2.014 -7.687 1.00 0.44 C ATOM 471 C LYS A 21 -5.629 -2.280 -8.755 1.00 0.46 C ATOM 472 O LYS A 21 -5.940 -2.517 -9.917 1.00 0.57 O ATOM 473 CB LYS A 21 -7.810 -3.056 -7.724 1.00 0.55 C ATOM 474 CG LYS A 21 -8.939 -2.760 -8.708 1.00 1.51 C ATOM 475 CD LYS A 21 -8.642 -3.268 -10.109 1.00 2.23 C ATOM 476 CE LYS A 21 -9.749 -2.906 -11.083 1.00 3.01 C ATOM 477 NZ LYS A 21 -9.964 -1.437 -11.158 1.00 3.67 N ATOM 0 H LYS A 21 -7.445 -0.422 -8.793 1.00 0.44 H new ATOM 0 HA LYS A 21 -6.207 -2.106 -6.708 1.00 0.44 H new ATOM 0 HB2 LYS A 21 -7.380 -4.026 -7.972 1.00 0.55 H new ATOM 0 HB3 LYS A 21 -8.235 -3.142 -6.724 1.00 0.55 H new ATOM 0 HG2 LYS A 21 -9.860 -3.218 -8.347 1.00 1.51 H new ATOM 0 HG3 LYS A 21 -9.111 -1.684 -8.745 1.00 1.51 H new ATOM 0 HD2 LYS A 21 -7.699 -2.847 -10.457 1.00 2.23 H new ATOM 0 HD3 LYS A 21 -8.518 -4.351 -10.085 1.00 2.23 H new ATOM 0 HE2 LYS A 21 -9.500 -3.287 -12.073 1.00 3.01 H new ATOM 0 HE3 LYS A 21 -10.675 -3.393 -10.777 1.00 3.01 H new ATOM 0 HZ1 LYS A 21 -10.519 -1.210 -12.008 1.00 3.67 H new ATOM 0 HZ2 LYS A 21 -10.479 -1.118 -10.313 1.00 3.67 H new ATOM 0 HZ3 LYS A 21 -9.044 -0.954 -11.206 1.00 3.67 H new ATOM 491 N VAL A 22 -4.375 -2.186 -8.377 1.00 0.40 N ATOM 492 CA VAL A 22 -3.306 -2.547 -9.288 1.00 0.42 C ATOM 493 C VAL A 22 -2.828 -3.943 -8.948 1.00 0.38 C ATOM 494 O VAL A 22 -2.146 -4.145 -7.951 1.00 0.39 O ATOM 495 CB VAL A 22 -2.119 -1.560 -9.218 1.00 0.54 C ATOM 496 CG1 VAL A 22 -1.027 -1.960 -10.201 1.00 1.32 C ATOM 497 CG2 VAL A 22 -2.586 -0.137 -9.485 1.00 0.82 C ATOM 0 H VAL A 22 -4.069 -1.867 -7.458 1.00 0.40 H new ATOM 0 HA VAL A 22 -3.698 -2.508 -10.304 1.00 0.42 H new ATOM 0 HB VAL A 22 -1.703 -1.600 -8.211 1.00 0.54 H new ATOM 0 HG11 VAL A 22 -0.201 -1.252 -10.135 1.00 1.32 H new ATOM 0 HG12 VAL A 22 -0.668 -2.960 -9.959 1.00 1.32 H new ATOM 0 HG13 VAL A 22 -1.430 -1.955 -11.214 1.00 1.32 H new ATOM 0 HG21 VAL A 22 -1.735 0.542 -9.431 1.00 0.82 H new ATOM 0 HG22 VAL A 22 -3.032 -0.081 -10.478 1.00 0.82 H new ATOM 0 HG23 VAL A 22 -3.326 0.149 -8.738 1.00 0.82 H new ATOM 507 N ILE A 23 -3.179 -4.900 -9.782 1.00 0.39 N ATOM 508 CA ILE A 23 -2.885 -6.288 -9.497 1.00 0.38 C ATOM 509 C ILE A 23 -1.620 -6.731 -10.211 1.00 0.41 C ATOM 510 O ILE A 23 -1.408 -6.432 -11.390 1.00 0.50 O ATOM 511 CB ILE A 23 -4.071 -7.205 -9.874 1.00 0.45 C ATOM 512 CG1 ILE A 23 -5.264 -6.945 -8.939 1.00 0.51 C ATOM 513 CG2 ILE A 23 -3.665 -8.672 -9.830 1.00 0.48 C ATOM 514 CD1 ILE A 23 -4.986 -7.251 -7.481 1.00 1.39 C ATOM 0 H ILE A 23 -3.668 -4.741 -10.663 1.00 0.39 H new ATOM 0 HA ILE A 23 -2.723 -6.376 -8.423 1.00 0.38 H new ATOM 0 HB ILE A 23 -4.370 -6.972 -10.896 1.00 0.45 H new ATOM 0 HG12 ILE A 23 -5.562 -5.900 -9.029 1.00 0.51 H new ATOM 0 HG13 ILE A 23 -6.110 -7.547 -9.271 1.00 0.51 H new ATOM 0 HG21 ILE A 23 -4.519 -9.294 -10.099 1.00 0.48 H new ATOM 0 HG22 ILE A 23 -2.852 -8.846 -10.535 1.00 0.48 H new ATOM 0 HG23 ILE A 23 -3.333 -8.928 -8.824 1.00 0.48 H new ATOM 0 HD11 ILE A 23 -5.877 -7.041 -6.889 1.00 1.39 H new ATOM 0 HD12 ILE A 23 -4.719 -8.302 -7.374 1.00 1.39 H new ATOM 0 HD13 ILE A 23 -4.162 -6.630 -7.129 1.00 1.39 H new ATOM 526 N ALA A 24 -0.771 -7.419 -9.473 1.00 0.38 N ATOM 527 CA ALA A 24 0.464 -7.950 -10.011 1.00 0.45 C ATOM 528 C ALA A 24 0.707 -9.350 -9.468 1.00 0.41 C ATOM 529 O ALA A 24 0.002 -9.799 -8.561 1.00 0.39 O ATOM 530 CB ALA A 24 1.630 -7.032 -9.671 1.00 0.55 C ATOM 0 H ALA A 24 -0.918 -7.625 -8.485 1.00 0.38 H new ATOM 0 HA ALA A 24 0.381 -8.006 -11.096 1.00 0.45 H new ATOM 0 HB1 ALA A 24 2.551 -7.446 -10.083 1.00 0.55 H new ATOM 0 HB2 ALA A 24 1.453 -6.045 -10.098 1.00 0.55 H new ATOM 0 HB3 ALA A 24 1.723 -6.947 -8.588 1.00 0.55 H new ATOM 536 N VAL A 25 1.697 -10.034 -10.016 1.00 0.56 N ATOM 537 CA VAL A 25 2.029 -11.367 -9.561 1.00 0.60 C ATOM 538 C VAL A 25 3.076 -11.316 -8.459 1.00 0.56 C ATOM 539 O VAL A 25 4.193 -10.846 -8.663 1.00 0.78 O ATOM 540 CB VAL A 25 2.538 -12.257 -10.717 1.00 0.91 C ATOM 541 CG1 VAL A 25 1.377 -12.742 -11.568 1.00 1.48 C ATOM 542 CG2 VAL A 25 3.549 -11.514 -11.581 1.00 1.67 C ATOM 0 H VAL A 25 2.282 -9.686 -10.775 1.00 0.56 H new ATOM 0 HA VAL A 25 1.113 -11.807 -9.168 1.00 0.60 H new ATOM 0 HB VAL A 25 3.037 -13.121 -10.277 1.00 0.91 H new ATOM 0 HG11 VAL A 25 1.755 -13.367 -12.377 1.00 1.48 H new ATOM 0 HG12 VAL A 25 0.691 -13.322 -10.951 1.00 1.48 H new ATOM 0 HG13 VAL A 25 0.851 -11.885 -11.988 1.00 1.48 H new ATOM 0 HG21 VAL A 25 3.889 -12.166 -12.386 1.00 1.67 H new ATOM 0 HG22 VAL A 25 3.081 -10.626 -12.006 1.00 1.67 H new ATOM 0 HG23 VAL A 25 4.401 -11.217 -10.970 1.00 1.67 H new ATOM 552 N GLU A 26 2.701 -11.798 -7.289 1.00 0.43 N ATOM 553 CA GLU A 26 3.604 -11.844 -6.150 1.00 0.48 C ATOM 554 C GLU A 26 4.372 -13.157 -6.171 1.00 0.53 C ATOM 555 O GLU A 26 4.773 -13.686 -5.136 1.00 0.68 O ATOM 556 CB GLU A 26 2.800 -11.721 -4.859 1.00 0.51 C ATOM 557 CG GLU A 26 3.606 -11.192 -3.680 1.00 0.74 C ATOM 558 CD GLU A 26 2.750 -10.872 -2.474 1.00 1.01 C ATOM 559 OE1 GLU A 26 1.516 -11.018 -2.558 1.00 1.85 O ATOM 560 OE2 GLU A 26 3.304 -10.414 -1.455 1.00 1.50 O ATOM 0 H GLU A 26 1.769 -12.167 -7.100 1.00 0.43 H new ATOM 0 HA GLU A 26 4.312 -11.017 -6.204 1.00 0.48 H new ATOM 0 HB2 GLU A 26 1.951 -11.060 -5.032 1.00 0.51 H new ATOM 0 HB3 GLU A 26 2.394 -12.699 -4.600 1.00 0.51 H new ATOM 0 HG2 GLU A 26 4.357 -11.931 -3.400 1.00 0.74 H new ATOM 0 HG3 GLU A 26 4.142 -10.294 -3.987 1.00 0.74 H new ATOM 567 N GLY A 27 4.592 -13.664 -7.367 1.00 0.54 N ATOM 568 CA GLY A 27 5.156 -14.982 -7.522 1.00 0.60 C ATOM 569 C GLY A 27 4.073 -16.022 -7.678 1.00 0.69 C ATOM 570 O GLY A 27 3.919 -16.610 -8.748 1.00 0.80 O ATOM 0 H GLY A 27 4.388 -13.181 -8.242 1.00 0.54 H new ATOM 0 HA2 GLY A 27 5.810 -15.001 -8.393 1.00 0.60 H new ATOM 0 HA3 GLY A 27 5.772 -15.221 -6.655 1.00 0.60 H new ATOM 574 N ASP A 28 3.312 -16.243 -6.611 1.00 0.75 N ATOM 575 CA ASP A 28 2.185 -17.167 -6.654 1.00 0.93 C ATOM 576 C ASP A 28 0.988 -16.574 -5.933 1.00 0.85 C ATOM 577 O ASP A 28 -0.039 -17.229 -5.767 1.00 1.07 O ATOM 578 CB ASP A 28 2.544 -18.516 -6.019 1.00 1.21 C ATOM 579 CG ASP A 28 3.712 -19.201 -6.694 1.00 1.64 C ATOM 580 OD1 ASP A 28 4.866 -18.932 -6.303 1.00 2.21 O ATOM 581 OD2 ASP A 28 3.484 -20.017 -7.613 1.00 2.13 O ATOM 0 H ASP A 28 3.455 -15.795 -5.706 1.00 0.75 H new ATOM 0 HA ASP A 28 1.936 -17.332 -7.702 1.00 0.93 H new ATOM 0 HB2 ASP A 28 2.780 -18.363 -4.966 1.00 1.21 H new ATOM 0 HB3 ASP A 28 1.674 -19.172 -6.059 1.00 1.21 H new ATOM 586 N GLN A 29 1.119 -15.327 -5.520 1.00 0.61 N ATOM 587 CA GLN A 29 0.079 -14.659 -4.766 1.00 0.54 C ATOM 588 C GLN A 29 -0.454 -13.478 -5.563 1.00 0.41 C ATOM 589 O GLN A 29 0.285 -12.862 -6.334 1.00 0.38 O ATOM 590 CB GLN A 29 0.644 -14.206 -3.421 1.00 0.60 C ATOM 591 CG GLN A 29 -0.372 -13.573 -2.488 1.00 0.62 C ATOM 592 CD GLN A 29 0.071 -13.600 -1.039 1.00 0.73 C ATOM 593 OE1 GLN A 29 -0.237 -14.531 -0.298 1.00 1.01 O ATOM 594 NE2 GLN A 29 0.801 -12.582 -0.626 1.00 0.74 N ATOM 0 H GLN A 29 1.944 -14.754 -5.697 1.00 0.61 H new ATOM 0 HA GLN A 29 -0.748 -15.345 -4.582 1.00 0.54 H new ATOM 0 HB2 GLN A 29 1.090 -15.066 -2.921 1.00 0.60 H new ATOM 0 HB3 GLN A 29 1.447 -13.491 -3.602 1.00 0.60 H new ATOM 0 HG2 GLN A 29 -0.545 -12.541 -2.792 1.00 0.62 H new ATOM 0 HG3 GLN A 29 -1.323 -14.097 -2.583 1.00 0.62 H new ATOM 0 HE21 GLN A 29 1.036 -11.828 -1.271 1.00 0.74 H new ATOM 0 HE22 GLN A 29 1.131 -12.549 0.339 1.00 0.74 H new ATOM 603 N VAL A 30 -1.734 -13.181 -5.405 1.00 0.37 N ATOM 604 CA VAL A 30 -2.335 -12.065 -6.112 1.00 0.31 C ATOM 605 C VAL A 30 -2.509 -10.893 -5.164 1.00 0.24 C ATOM 606 O VAL A 30 -3.143 -11.008 -4.111 1.00 0.28 O ATOM 607 CB VAL A 30 -3.709 -12.428 -6.723 1.00 0.42 C ATOM 608 CG1 VAL A 30 -4.162 -11.388 -7.738 1.00 1.08 C ATOM 609 CG2 VAL A 30 -3.684 -13.818 -7.343 1.00 0.98 C ATOM 0 H VAL A 30 -2.372 -13.694 -4.797 1.00 0.37 H new ATOM 0 HA VAL A 30 -1.664 -11.801 -6.929 1.00 0.31 H new ATOM 0 HB VAL A 30 -4.435 -12.434 -5.910 1.00 0.42 H new ATOM 0 HG11 VAL A 30 -5.131 -11.676 -8.146 1.00 1.08 H new ATOM 0 HG12 VAL A 30 -4.248 -10.417 -7.250 1.00 1.08 H new ATOM 0 HG13 VAL A 30 -3.432 -11.325 -8.545 1.00 1.08 H new ATOM 0 HG21 VAL A 30 -4.663 -14.046 -7.764 1.00 0.98 H new ATOM 0 HG22 VAL A 30 -2.933 -13.851 -8.132 1.00 0.98 H new ATOM 0 HG23 VAL A 30 -3.438 -14.554 -6.577 1.00 0.98 H new ATOM 619 N LYS A 31 -1.907 -9.780 -5.512 1.00 0.20 N ATOM 620 CA LYS A 31 -1.914 -8.629 -4.644 1.00 0.21 C ATOM 621 C LYS A 31 -2.191 -7.347 -5.427 1.00 0.22 C ATOM 622 O LYS A 31 -1.851 -7.245 -6.608 1.00 0.25 O ATOM 623 CB LYS A 31 -0.577 -8.560 -3.933 1.00 0.31 C ATOM 624 CG LYS A 31 0.548 -8.114 -4.851 1.00 0.38 C ATOM 625 CD LYS A 31 1.898 -8.229 -4.186 1.00 0.55 C ATOM 626 CE LYS A 31 1.880 -7.668 -2.778 1.00 0.64 C ATOM 627 NZ LYS A 31 3.204 -7.822 -2.127 1.00 0.91 N ATOM 0 H LYS A 31 -1.406 -9.648 -6.391 1.00 0.20 H new ATOM 0 HA LYS A 31 -2.715 -8.727 -3.911 1.00 0.21 H new ATOM 0 HB2 LYS A 31 -0.651 -7.870 -3.093 1.00 0.31 H new ATOM 0 HB3 LYS A 31 -0.338 -9.540 -3.520 1.00 0.31 H new ATOM 0 HG2 LYS A 31 0.538 -8.719 -5.758 1.00 0.38 H new ATOM 0 HG3 LYS A 31 0.380 -7.081 -5.155 1.00 0.38 H new ATOM 0 HD2 LYS A 31 2.201 -9.276 -4.157 1.00 0.55 H new ATOM 0 HD3 LYS A 31 2.642 -7.698 -4.780 1.00 0.55 H new ATOM 0 HE2 LYS A 31 1.605 -6.614 -2.806 1.00 0.64 H new ATOM 0 HE3 LYS A 31 1.119 -8.180 -2.189 1.00 0.64 H new ATOM 0 HZ1 LYS A 31 3.392 -6.997 -1.522 1.00 0.91 H new ATOM 0 HZ2 LYS A 31 3.207 -8.685 -1.546 1.00 0.91 H new ATOM 0 HZ3 LYS A 31 3.943 -7.892 -2.855 1.00 0.91 H new ATOM 641 N LEU A 32 -2.818 -6.388 -4.765 1.00 0.27 N ATOM 642 CA LEU A 32 -3.071 -5.080 -5.354 1.00 0.30 C ATOM 643 C LEU A 32 -2.083 -4.070 -4.801 1.00 0.29 C ATOM 644 O LEU A 32 -1.420 -4.331 -3.807 1.00 0.33 O ATOM 645 CB LEU A 32 -4.504 -4.611 -5.082 1.00 0.43 C ATOM 646 CG LEU A 32 -4.948 -4.668 -3.615 1.00 0.53 C ATOM 647 CD1 LEU A 32 -4.655 -3.354 -2.906 1.00 0.57 C ATOM 648 CD2 LEU A 32 -6.426 -5.014 -3.520 1.00 0.75 C ATOM 0 H LEU A 32 -3.164 -6.491 -3.811 1.00 0.27 H new ATOM 0 HA LEU A 32 -2.945 -5.164 -6.433 1.00 0.30 H new ATOM 0 HB2 LEU A 32 -4.605 -3.585 -5.435 1.00 0.43 H new ATOM 0 HB3 LEU A 32 -5.186 -5.221 -5.674 1.00 0.43 H new ATOM 0 HG LEU A 32 -4.378 -5.452 -3.117 1.00 0.53 H new ATOM 0 HD11 LEU A 32 -4.979 -3.421 -1.868 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -3.584 -3.153 -2.940 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -5.191 -2.545 -3.402 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -6.725 -5.050 -2.472 1.00 0.75 H new ATOM 0 HD22 LEU A 32 -7.012 -4.254 -4.038 1.00 0.75 H new ATOM 0 HD23 LEU A 32 -6.603 -5.986 -3.981 1.00 0.75 H new ATOM 660 N GLY A 33 -1.968 -2.931 -5.451 1.00 0.29 N ATOM 661 CA GLY A 33 -1.089 -1.898 -4.958 1.00 0.29 C ATOM 662 C GLY A 33 -1.727 -0.535 -5.035 1.00 0.30 C ATOM 663 O GLY A 33 -2.231 -0.144 -6.087 1.00 0.41 O ATOM 0 H GLY A 33 -2.466 -2.701 -6.311 1.00 0.29 H new ATOM 0 HA2 GLY A 33 -0.818 -2.114 -3.925 1.00 0.29 H new ATOM 0 HA3 GLY A 33 -0.165 -1.900 -5.537 1.00 0.29 H new ATOM 667 N ILE A 34 -1.737 0.181 -3.921 1.00 0.26 N ATOM 668 CA ILE A 34 -2.227 1.547 -3.919 1.00 0.30 C ATOM 669 C ILE A 34 -1.050 2.513 -3.984 1.00 0.29 C ATOM 670 O ILE A 34 -0.135 2.456 -3.158 1.00 0.27 O ATOM 671 CB ILE A 34 -3.126 1.876 -2.696 1.00 0.34 C ATOM 672 CG1 ILE A 34 -2.319 1.965 -1.397 1.00 0.35 C ATOM 673 CG2 ILE A 34 -4.226 0.832 -2.567 1.00 0.36 C ATOM 674 CD1 ILE A 34 -2.916 2.927 -0.396 1.00 1.16 C ATOM 0 H ILE A 34 -1.414 -0.159 -3.015 1.00 0.26 H new ATOM 0 HA ILE A 34 -2.857 1.660 -4.801 1.00 0.30 H new ATOM 0 HB ILE A 34 -3.573 2.856 -2.866 1.00 0.34 H new ATOM 0 HG12 ILE A 34 -2.255 0.974 -0.947 1.00 0.35 H new ATOM 0 HG13 ILE A 34 -1.300 2.276 -1.629 1.00 0.35 H new ATOM 0 HG21 ILE A 34 -4.853 1.068 -1.707 1.00 0.36 H new ATOM 0 HG22 ILE A 34 -4.835 0.831 -3.471 1.00 0.36 H new ATOM 0 HG23 ILE A 34 -3.779 -0.153 -2.430 1.00 0.36 H new ATOM 0 HD11 ILE A 34 -2.300 2.946 0.503 1.00 1.16 H new ATOM 0 HD12 ILE A 34 -2.955 3.926 -0.830 1.00 1.16 H new ATOM 0 HD13 ILE A 34 -3.924 2.604 -0.138 1.00 1.16 H new ATOM 686 N ASP A 35 -1.042 3.362 -4.993 1.00 0.36 N ATOM 687 CA ASP A 35 0.028 4.329 -5.146 1.00 0.37 C ATOM 688 C ASP A 35 -0.508 5.744 -5.046 1.00 0.38 C ATOM 689 O ASP A 35 -1.495 6.100 -5.693 1.00 0.51 O ATOM 690 CB ASP A 35 0.765 4.132 -6.471 1.00 0.53 C ATOM 691 CG ASP A 35 1.702 5.284 -6.797 1.00 1.15 C ATOM 692 OD1 ASP A 35 2.595 5.578 -5.979 1.00 1.94 O ATOM 693 OD2 ASP A 35 1.548 5.890 -7.885 1.00 1.40 O ATOM 0 H ASP A 35 -1.760 3.402 -5.716 1.00 0.36 H new ATOM 0 HA ASP A 35 0.739 4.169 -4.335 1.00 0.37 H new ATOM 0 HB2 ASP A 35 1.336 3.205 -6.430 1.00 0.53 H new ATOM 0 HB3 ASP A 35 0.037 4.023 -7.275 1.00 0.53 H new ATOM 698 N ALA A 36 0.144 6.533 -4.217 1.00 0.34 N ATOM 699 CA ALA A 36 -0.231 7.915 -4.006 1.00 0.42 C ATOM 700 C ALA A 36 1.019 8.780 -3.960 1.00 0.46 C ATOM 701 O ALA A 36 2.081 8.304 -3.549 1.00 0.49 O ATOM 702 CB ALA A 36 -1.033 8.050 -2.718 1.00 0.48 C ATOM 0 H ALA A 36 0.951 6.233 -3.670 1.00 0.34 H new ATOM 0 HA ALA A 36 -0.858 8.251 -4.832 1.00 0.42 H new ATOM 0 HB1 ALA A 36 -1.310 9.094 -2.569 1.00 0.48 H new ATOM 0 HB2 ALA A 36 -1.935 7.442 -2.785 1.00 0.48 H new ATOM 0 HB3 ALA A 36 -0.429 7.711 -1.876 1.00 0.48 H new ATOM 708 N PRO A 37 0.911 10.067 -4.341 1.00 0.54 N ATOM 709 CA PRO A 37 2.067 10.975 -4.446 1.00 0.63 C ATOM 710 C PRO A 37 2.627 11.402 -3.087 1.00 0.61 C ATOM 711 O PRO A 37 3.162 12.497 -2.944 1.00 0.65 O ATOM 712 CB PRO A 37 1.492 12.180 -5.192 1.00 0.71 C ATOM 713 CG PRO A 37 0.045 12.185 -4.846 1.00 0.77 C ATOM 714 CD PRO A 37 -0.351 10.743 -4.702 1.00 0.62 C ATOM 0 HA PRO A 37 2.910 10.497 -4.946 1.00 0.63 H new ATOM 0 HB2 PRO A 37 1.976 13.106 -4.881 1.00 0.71 H new ATOM 0 HB3 PRO A 37 1.641 12.088 -6.268 1.00 0.71 H new ATOM 0 HG2 PRO A 37 -0.133 12.733 -3.921 1.00 0.77 H new ATOM 0 HG3 PRO A 37 -0.541 12.675 -5.624 1.00 0.77 H new ATOM 0 HD2 PRO A 37 -1.110 10.611 -3.931 1.00 0.62 H new ATOM 0 HD3 PRO A 37 -0.766 10.347 -5.629 1.00 0.62 H new ATOM 722 N LYS A 38 2.508 10.515 -2.102 1.00 0.59 N ATOM 723 CA LYS A 38 3.061 10.738 -0.768 1.00 0.63 C ATOM 724 C LYS A 38 2.403 11.906 -0.047 1.00 0.68 C ATOM 725 O LYS A 38 2.992 12.511 0.845 1.00 1.12 O ATOM 726 CB LYS A 38 4.569 10.933 -0.848 1.00 0.73 C ATOM 727 CG LYS A 38 5.342 9.646 -0.664 1.00 1.19 C ATOM 728 CD LYS A 38 5.274 9.178 0.776 1.00 0.90 C ATOM 729 CE LYS A 38 6.317 9.878 1.639 1.00 0.92 C ATOM 730 NZ LYS A 38 5.981 11.307 1.910 1.00 1.86 N ATOM 0 H LYS A 38 2.026 9.622 -2.206 1.00 0.59 H new ATOM 0 HA LYS A 38 2.846 9.847 -0.178 1.00 0.63 H new ATOM 0 HB2 LYS A 38 4.823 11.368 -1.815 1.00 0.73 H new ATOM 0 HB3 LYS A 38 4.878 11.648 -0.086 1.00 0.73 H new ATOM 0 HG2 LYS A 38 4.937 8.876 -1.321 1.00 1.19 H new ATOM 0 HG3 LYS A 38 6.382 9.797 -0.953 1.00 1.19 H new ATOM 0 HD2 LYS A 38 4.279 9.372 1.176 1.00 0.90 H new ATOM 0 HD3 LYS A 38 5.430 8.100 0.817 1.00 0.90 H new ATOM 0 HE2 LYS A 38 6.414 9.347 2.586 1.00 0.92 H new ATOM 0 HE3 LYS A 38 7.286 9.825 1.143 1.00 0.92 H new ATOM 0 HZ1 LYS A 38 6.370 11.586 2.833 1.00 1.86 H new ATOM 0 HZ2 LYS A 38 6.391 11.907 1.166 1.00 1.86 H new ATOM 0 HZ3 LYS A 38 4.948 11.425 1.920 1.00 1.86 H new ATOM 744 N HIS A 39 1.178 12.209 -0.443 1.00 0.67 N ATOM 745 CA HIS A 39 0.328 13.130 0.308 1.00 0.67 C ATOM 746 C HIS A 39 0.043 12.565 1.710 1.00 0.62 C ATOM 747 O HIS A 39 0.512 11.483 2.065 1.00 0.70 O ATOM 748 CB HIS A 39 -1.002 13.332 -0.434 1.00 0.69 C ATOM 749 CG HIS A 39 -1.876 12.117 -0.386 1.00 0.60 C ATOM 750 ND1 HIS A 39 -3.219 11.974 -0.354 1.00 0.57 N flip ATOM 751 CD2 HIS A 39 -1.357 10.850 -0.263 1.00 0.59 C flip ATOM 752 CE1 HIS A 39 -3.475 10.634 -0.208 1.00 0.55 C flip ATOM 753 NE2 HIS A 39 -2.333 9.987 -0.153 1.00 0.54 N flip ATOM 0 H HIS A 39 0.744 11.830 -1.285 1.00 0.67 H new ATOM 0 HA HIS A 39 0.845 14.085 0.402 1.00 0.67 H new ATOM 0 HB2 HIS A 39 -1.534 14.176 0.005 1.00 0.69 H new ATOM 0 HB3 HIS A 39 -0.799 13.589 -1.474 1.00 0.69 H new ATOM 0 HD1 HIS A 39 -3.911 12.720 -0.425 1.00 0.57 H new ATOM 0 HD2 HIS A 39 -0.305 10.605 -0.258 1.00 0.59 H new ATOM 0 HE1 HIS A 39 -4.455 10.185 -0.148 1.00 0.55 H new ATOM 762 N ILE A 40 -0.778 13.270 2.463 1.00 0.63 N ATOM 763 CA ILE A 40 -1.216 12.812 3.769 1.00 0.64 C ATOM 764 C ILE A 40 -2.307 11.770 3.609 1.00 0.44 C ATOM 765 O ILE A 40 -3.023 11.754 2.609 1.00 0.44 O ATOM 766 CB ILE A 40 -1.765 13.965 4.638 1.00 0.85 C ATOM 767 CG1 ILE A 40 -3.074 14.514 4.045 1.00 0.90 C ATOM 768 CG2 ILE A 40 -0.724 15.067 4.784 1.00 1.06 C ATOM 769 CD1 ILE A 40 -2.898 15.501 2.903 1.00 1.02 C ATOM 0 H ILE A 40 -1.160 14.175 2.189 1.00 0.63 H new ATOM 0 HA ILE A 40 -0.344 12.389 4.268 1.00 0.64 H new ATOM 0 HB ILE A 40 -1.984 13.575 5.632 1.00 0.85 H new ATOM 0 HG12 ILE A 40 -3.675 13.676 3.691 1.00 0.90 H new ATOM 0 HG13 ILE A 40 -3.640 14.999 4.840 1.00 0.90 H new ATOM 0 HG21 ILE A 40 -1.129 15.871 5.399 1.00 1.06 H new ATOM 0 HG22 ILE A 40 0.170 14.662 5.258 1.00 1.06 H new ATOM 0 HG23 ILE A 40 -0.467 15.458 3.799 1.00 1.06 H new ATOM 0 HD11 ILE A 40 -3.876 15.830 2.553 1.00 1.02 H new ATOM 0 HD12 ILE A 40 -2.328 16.362 3.251 1.00 1.02 H new ATOM 0 HD13 ILE A 40 -2.363 15.019 2.085 1.00 1.02 H new ATOM 781 N ASP A 41 -2.431 10.900 4.583 1.00 0.43 N ATOM 782 CA ASP A 41 -3.400 9.830 4.512 1.00 0.34 C ATOM 783 C ASP A 41 -4.620 10.137 5.376 1.00 0.31 C ATOM 784 O ASP A 41 -4.574 10.084 6.608 1.00 0.38 O ATOM 785 CB ASP A 41 -2.731 8.508 4.899 1.00 0.54 C ATOM 786 CG ASP A 41 -2.139 8.509 6.295 1.00 0.90 C ATOM 787 OD1 ASP A 41 -1.247 9.337 6.583 1.00 1.36 O ATOM 788 OD2 ASP A 41 -2.564 7.674 7.110 1.00 1.05 O ATOM 0 H ASP A 41 -1.872 10.911 5.436 1.00 0.43 H new ATOM 0 HA ASP A 41 -3.763 9.738 3.488 1.00 0.34 H new ATOM 0 HB2 ASP A 41 -3.464 7.705 4.826 1.00 0.54 H new ATOM 0 HB3 ASP A 41 -1.942 8.286 4.180 1.00 0.54 H new ATOM 793 N ILE A 42 -5.710 10.477 4.703 1.00 0.28 N ATOM 794 CA ILE A 42 -6.937 10.905 5.364 1.00 0.30 C ATOM 795 C ILE A 42 -7.741 9.704 5.844 1.00 0.29 C ATOM 796 O ILE A 42 -7.800 8.685 5.163 1.00 0.31 O ATOM 797 CB ILE A 42 -7.812 11.747 4.407 1.00 0.38 C ATOM 798 CG1 ILE A 42 -7.002 12.916 3.839 1.00 0.41 C ATOM 799 CG2 ILE A 42 -9.063 12.253 5.113 1.00 0.47 C ATOM 800 CD1 ILE A 42 -6.537 13.907 4.889 1.00 1.28 C ATOM 0 H ILE A 42 -5.770 10.464 3.685 1.00 0.28 H new ATOM 0 HA ILE A 42 -6.651 11.514 6.222 1.00 0.30 H new ATOM 0 HB ILE A 42 -8.129 11.109 3.582 1.00 0.38 H new ATOM 0 HG12 ILE A 42 -6.132 12.522 3.315 1.00 0.41 H new ATOM 0 HG13 ILE A 42 -7.608 13.441 3.101 1.00 0.41 H new ATOM 0 HG21 ILE A 42 -9.660 12.842 4.417 1.00 0.47 H new ATOM 0 HG22 ILE A 42 -9.649 11.405 5.467 1.00 0.47 H new ATOM 0 HG23 ILE A 42 -8.776 12.875 5.961 1.00 0.47 H new ATOM 0 HD11 ILE A 42 -5.970 14.706 4.410 1.00 1.28 H new ATOM 0 HD12 ILE A 42 -7.403 14.331 5.398 1.00 1.28 H new ATOM 0 HD13 ILE A 42 -5.903 13.397 5.615 1.00 1.28 H new ATOM 812 N HIS A 43 -8.331 9.812 7.028 1.00 0.31 N ATOM 813 CA HIS A 43 -9.183 8.751 7.564 1.00 0.33 C ATOM 814 C HIS A 43 -10.427 9.363 8.174 1.00 0.45 C ATOM 815 O HIS A 43 -10.483 10.573 8.375 1.00 0.52 O ATOM 816 CB HIS A 43 -8.477 7.928 8.642 1.00 0.30 C ATOM 817 CG HIS A 43 -7.079 7.530 8.303 1.00 0.27 C ATOM 818 ND1 HIS A 43 -6.042 7.625 9.198 1.00 0.37 N ATOM 819 CD2 HIS A 43 -6.551 7.025 7.164 1.00 0.23 C ATOM 820 CE1 HIS A 43 -4.937 7.201 8.628 1.00 0.38 C ATOM 821 NE2 HIS A 43 -5.211 6.828 7.390 1.00 0.28 N ATOM 0 H HIS A 43 -8.237 10.624 7.638 1.00 0.31 H new ATOM 0 HA HIS A 43 -9.433 8.089 6.734 1.00 0.33 H new ATOM 0 HB2 HIS A 43 -8.463 8.502 9.568 1.00 0.30 H new ATOM 0 HB3 HIS A 43 -9.061 7.028 8.834 1.00 0.30 H new ATOM 0 HD2 HIS A 43 -7.084 6.816 6.248 1.00 0.23 H new ATOM 0 HE1 HIS A 43 -3.964 7.163 9.095 1.00 0.38 H new ATOM 0 HE2 HIS A 43 -4.541 6.457 6.717 1.00 0.28 H new ATOM 830 N ARG A 44 -11.420 8.535 8.470 1.00 0.52 N ATOM 831 CA ARG A 44 -12.608 9.021 9.158 1.00 0.70 C ATOM 832 C ARG A 44 -12.315 9.102 10.648 1.00 0.87 C ATOM 833 O ARG A 44 -12.197 10.190 11.212 1.00 1.74 O ATOM 834 CB ARG A 44 -13.808 8.102 8.929 1.00 0.99 C ATOM 835 CG ARG A 44 -14.019 7.676 7.487 1.00 1.38 C ATOM 836 CD ARG A 44 -15.173 6.698 7.389 1.00 1.75 C ATOM 837 NE ARG A 44 -15.180 5.964 6.127 1.00 2.71 N ATOM 838 CZ ARG A 44 -15.215 4.636 6.053 1.00 3.43 C ATOM 839 NH1 ARG A 44 -15.139 3.907 7.163 1.00 3.41 N ATOM 840 NH2 ARG A 44 -15.302 4.032 4.873 1.00 4.52 N ATOM 0 H ARG A 44 -11.428 7.539 8.249 1.00 0.52 H new ATOM 0 HA ARG A 44 -12.857 10.004 8.759 1.00 0.70 H new ATOM 0 HB2 ARG A 44 -13.686 7.209 9.542 1.00 0.99 H new ATOM 0 HB3 ARG A 44 -14.708 8.609 9.279 1.00 0.99 H new ATOM 0 HG2 ARG A 44 -14.221 8.550 6.869 1.00 1.38 H new ATOM 0 HG3 ARG A 44 -13.110 7.216 7.100 1.00 1.38 H new ATOM 0 HD2 ARG A 44 -15.116 5.991 8.216 1.00 1.75 H new ATOM 0 HD3 ARG A 44 -16.113 7.239 7.496 1.00 1.75 H new ATOM 0 HE ARG A 44 -15.157 6.497 5.257 1.00 2.71 H new ATOM 0 HH11 ARG A 44 -15.054 4.366 8.070 1.00 3.41 H new ATOM 0 HH12 ARG A 44 -15.166 2.889 7.107 1.00 3.41 H new ATOM 0 HH21 ARG A 44 -15.342 4.587 4.018 1.00 4.52 H new ATOM 0 HH22 ARG A 44 -15.328 3.014 4.822 1.00 4.52 H new ATOM 854 N LYS A 45 -12.181 7.929 11.269 1.00 0.90 N ATOM 855 CA LYS A 45 -11.871 7.829 12.696 1.00 0.97 C ATOM 856 C LYS A 45 -11.417 6.412 13.050 1.00 1.10 C ATOM 857 O LYS A 45 -11.244 6.076 14.220 1.00 2.07 O ATOM 858 CB LYS A 45 -13.085 8.212 13.561 1.00 1.13 C ATOM 859 CG LYS A 45 -14.307 7.312 13.386 1.00 1.58 C ATOM 860 CD LYS A 45 -15.113 7.670 12.145 1.00 2.14 C ATOM 861 CE LYS A 45 -16.306 6.744 11.955 1.00 2.99 C ATOM 862 NZ LYS A 45 -15.885 5.338 11.715 1.00 3.41 N ATOM 0 H LYS A 45 -12.283 7.028 10.801 1.00 0.90 H new ATOM 0 HA LYS A 45 -11.062 8.529 12.905 1.00 0.97 H new ATOM 0 HB2 LYS A 45 -12.786 8.195 14.609 1.00 1.13 H new ATOM 0 HB3 LYS A 45 -13.370 9.238 13.327 1.00 1.13 H new ATOM 0 HG2 LYS A 45 -13.984 6.273 13.320 1.00 1.58 H new ATOM 0 HG3 LYS A 45 -14.944 7.393 14.267 1.00 1.58 H new ATOM 0 HD2 LYS A 45 -15.462 8.700 12.224 1.00 2.14 H new ATOM 0 HD3 LYS A 45 -14.469 7.618 11.267 1.00 2.14 H new ATOM 0 HE2 LYS A 45 -16.943 6.786 12.839 1.00 2.99 H new ATOM 0 HE3 LYS A 45 -16.905 7.092 11.114 1.00 2.99 H new ATOM 0 HZ1 LYS A 45 -16.573 4.872 11.090 1.00 3.41 H new ATOM 0 HZ2 LYS A 45 -14.947 5.328 11.266 1.00 3.41 H new ATOM 0 HZ3 LYS A 45 -15.841 4.829 12.621 1.00 3.41 H new ATOM 876 N GLU A 46 -11.216 5.595 12.029 1.00 0.79 N ATOM 877 CA GLU A 46 -10.918 4.178 12.209 1.00 0.83 C ATOM 878 C GLU A 46 -9.771 3.750 11.303 1.00 0.92 C ATOM 879 O GLU A 46 -9.439 2.571 11.233 1.00 1.78 O ATOM 880 CB GLU A 46 -12.160 3.353 11.853 1.00 0.95 C ATOM 881 CG GLU A 46 -12.507 3.364 10.361 1.00 1.87 C ATOM 882 CD GLU A 46 -12.927 4.731 9.841 1.00 2.53 C ATOM 883 OE1 GLU A 46 -12.038 5.562 9.526 1.00 3.10 O ATOM 884 OE2 GLU A 46 -14.145 4.987 9.759 1.00 2.94 O ATOM 0 H GLU A 46 -11.254 5.891 11.054 1.00 0.79 H new ATOM 0 HA GLU A 46 -10.632 4.012 13.248 1.00 0.83 H new ATOM 0 HB2 GLU A 46 -12.003 2.323 12.172 1.00 0.95 H new ATOM 0 HB3 GLU A 46 -13.011 3.735 12.417 1.00 0.95 H new ATOM 0 HG2 GLU A 46 -11.643 3.019 9.793 1.00 1.87 H new ATOM 0 HG3 GLU A 46 -13.313 2.653 10.179 1.00 1.87 H new ATOM 891 N ILE A 47 -9.157 4.743 10.664 1.00 0.52 N ATOM 892 CA ILE A 47 -8.306 4.555 9.483 1.00 0.42 C ATOM 893 C ILE A 47 -8.979 3.660 8.444 1.00 0.37 C ATOM 894 O ILE A 47 -9.122 2.454 8.604 1.00 0.40 O ATOM 895 CB ILE A 47 -6.858 4.060 9.763 1.00 0.46 C ATOM 896 CG1 ILE A 47 -6.789 2.579 10.141 1.00 0.53 C ATOM 897 CG2 ILE A 47 -6.222 4.891 10.864 1.00 0.52 C ATOM 898 CD1 ILE A 47 -5.380 2.031 10.214 1.00 0.61 C ATOM 0 H ILE A 47 -9.236 5.718 10.954 1.00 0.52 H new ATOM 0 HA ILE A 47 -8.190 5.564 9.087 1.00 0.42 H new ATOM 0 HB ILE A 47 -6.308 4.181 8.830 1.00 0.46 H new ATOM 0 HG12 ILE A 47 -7.274 2.437 11.107 1.00 0.53 H new ATOM 0 HG13 ILE A 47 -7.356 2.001 9.411 1.00 0.53 H new ATOM 0 HG21 ILE A 47 -5.209 4.534 11.050 1.00 0.52 H new ATOM 0 HG22 ILE A 47 -6.188 5.936 10.557 1.00 0.52 H new ATOM 0 HG23 ILE A 47 -6.812 4.800 11.776 1.00 0.52 H new ATOM 0 HD11 ILE A 47 -5.413 0.976 10.487 1.00 0.61 H new ATOM 0 HD12 ILE A 47 -4.897 2.139 9.243 1.00 0.61 H new ATOM 0 HD13 ILE A 47 -4.814 2.582 10.965 1.00 0.61 H new ATOM 910 N TYR A 48 -9.407 4.275 7.367 1.00 0.32 N ATOM 911 CA TYR A 48 -10.114 3.555 6.334 1.00 0.30 C ATOM 912 C TYR A 48 -9.150 3.005 5.283 1.00 0.29 C ATOM 913 O TYR A 48 -9.539 2.249 4.401 1.00 0.30 O ATOM 914 CB TYR A 48 -11.209 4.448 5.737 1.00 0.29 C ATOM 915 CG TYR A 48 -10.762 5.672 4.959 1.00 0.27 C ATOM 916 CD1 TYR A 48 -9.663 5.655 4.115 1.00 0.24 C ATOM 917 CD2 TYR A 48 -11.510 6.841 5.031 1.00 0.32 C ATOM 918 CE1 TYR A 48 -9.317 6.761 3.368 1.00 0.23 C ATOM 919 CE2 TYR A 48 -11.166 7.955 4.300 1.00 0.33 C ATOM 920 CZ TYR A 48 -10.076 7.910 3.464 1.00 0.29 C ATOM 921 OH TYR A 48 -9.748 9.016 2.719 1.00 0.31 O ATOM 0 H TYR A 48 -9.279 5.270 7.183 1.00 0.32 H new ATOM 0 HA TYR A 48 -10.605 2.685 6.770 1.00 0.30 H new ATOM 0 HB2 TYR A 48 -11.822 3.834 5.077 1.00 0.29 H new ATOM 0 HB3 TYR A 48 -11.853 4.782 6.551 1.00 0.29 H new ATOM 0 HD1 TYR A 48 -9.066 4.758 4.041 1.00 0.24 H new ATOM 0 HD2 TYR A 48 -12.378 6.876 5.673 1.00 0.32 H new ATOM 0 HE1 TYR A 48 -8.459 6.729 2.713 1.00 0.23 H new ATOM 0 HE2 TYR A 48 -11.750 8.860 4.383 1.00 0.33 H new ATOM 0 HH TYR A 48 -10.385 9.737 2.905 1.00 0.31 H new ATOM 931 N LEU A 49 -7.886 3.385 5.407 1.00 0.29 N ATOM 932 CA LEU A 49 -6.876 3.060 4.415 1.00 0.29 C ATOM 933 C LEU A 49 -6.043 1.898 4.891 1.00 0.30 C ATOM 934 O LEU A 49 -6.215 0.773 4.429 1.00 0.36 O ATOM 935 CB LEU A 49 -5.979 4.273 4.162 1.00 0.36 C ATOM 936 CG LEU A 49 -6.259 5.030 2.868 1.00 0.40 C ATOM 937 CD1 LEU A 49 -5.540 6.366 2.866 1.00 0.60 C ATOM 938 CD2 LEU A 49 -5.824 4.196 1.680 1.00 0.67 C ATOM 0 H LEU A 49 -7.534 3.926 6.197 1.00 0.29 H new ATOM 0 HA LEU A 49 -7.372 2.786 3.484 1.00 0.29 H new ATOM 0 HB2 LEU A 49 -6.085 4.964 4.998 1.00 0.36 H new ATOM 0 HB3 LEU A 49 -4.941 3.941 4.152 1.00 0.36 H new ATOM 0 HG LEU A 49 -7.330 5.218 2.796 1.00 0.40 H new ATOM 0 HD11 LEU A 49 -5.752 6.892 1.935 1.00 0.60 H new ATOM 0 HD12 LEU A 49 -5.885 6.966 3.708 1.00 0.60 H new ATOM 0 HD13 LEU A 49 -4.466 6.201 2.954 1.00 0.60 H new ATOM 0 HD21 LEU A 49 -6.027 4.742 0.759 1.00 0.67 H new ATOM 0 HD22 LEU A 49 -4.756 3.989 1.752 1.00 0.67 H new ATOM 0 HD23 LEU A 49 -6.376 3.256 1.674 1.00 0.67 H new ATOM 950 N THR A 50 -5.127 2.191 5.810 1.00 0.31 N ATOM 951 CA THR A 50 -4.282 1.179 6.420 1.00 0.36 C ATOM 952 C THR A 50 -3.184 0.710 5.458 1.00 0.41 C ATOM 953 O THR A 50 -2.071 0.423 5.874 1.00 0.75 O ATOM 954 CB THR A 50 -5.136 -0.008 6.908 1.00 0.41 C ATOM 955 OG1 THR A 50 -6.135 0.457 7.821 1.00 0.94 O ATOM 956 CG2 THR A 50 -4.285 -1.081 7.572 1.00 0.93 C ATOM 0 H THR A 50 -4.953 3.137 6.150 1.00 0.31 H new ATOM 0 HA THR A 50 -3.787 1.626 7.282 1.00 0.36 H new ATOM 0 HB THR A 50 -5.613 -0.456 6.037 1.00 0.41 H new ATOM 0 HG1 THR A 50 -6.676 -0.300 8.127 1.00 0.94 H new ATOM 0 HG21 THR A 50 -4.924 -1.900 7.902 1.00 0.93 H new ATOM 0 HG22 THR A 50 -3.552 -1.457 6.858 1.00 0.93 H new ATOM 0 HG23 THR A 50 -3.768 -0.655 8.432 1.00 0.93 H new ATOM 964 N ILE A 51 -3.491 0.696 4.171 1.00 0.34 N ATOM 965 CA ILE A 51 -2.539 0.267 3.143 1.00 0.38 C ATOM 966 C ILE A 51 -1.325 1.196 3.118 1.00 0.35 C ATOM 967 O ILE A 51 -0.208 0.788 3.427 1.00 0.36 O ATOM 968 CB ILE A 51 -3.198 0.228 1.740 1.00 0.46 C ATOM 969 CG1 ILE A 51 -4.684 -0.111 1.877 1.00 0.44 C ATOM 970 CG2 ILE A 51 -2.507 -0.800 0.858 1.00 0.61 C ATOM 971 CD1 ILE A 51 -5.447 -0.097 0.572 1.00 0.83 C ATOM 0 H ILE A 51 -4.400 0.979 3.805 1.00 0.34 H new ATOM 0 HA ILE A 51 -2.215 -0.743 3.396 1.00 0.38 H new ATOM 0 HB ILE A 51 -3.095 1.208 1.274 1.00 0.46 H new ATOM 0 HG12 ILE A 51 -4.780 -1.098 2.330 1.00 0.44 H new ATOM 0 HG13 ILE A 51 -5.145 0.600 2.562 1.00 0.44 H new ATOM 0 HG21 ILE A 51 -2.981 -0.815 -0.123 1.00 0.61 H new ATOM 0 HG22 ILE A 51 -1.455 -0.537 0.748 1.00 0.61 H new ATOM 0 HG23 ILE A 51 -2.589 -1.786 1.316 1.00 0.61 H new ATOM 0 HD11 ILE A 51 -6.491 -0.348 0.758 1.00 0.83 H new ATOM 0 HD12 ILE A 51 -5.386 0.896 0.126 1.00 0.83 H new ATOM 0 HD13 ILE A 51 -5.014 -0.829 -0.110 1.00 0.83 H new ATOM 983 N GLN A 52 -1.550 2.464 2.791 1.00 0.36 N ATOM 984 CA GLN A 52 -0.465 3.440 2.786 1.00 0.39 C ATOM 985 C GLN A 52 -0.243 4.003 4.183 1.00 0.38 C ATOM 986 O GLN A 52 0.625 4.838 4.385 1.00 0.53 O ATOM 987 CB GLN A 52 -0.746 4.592 1.825 1.00 0.47 C ATOM 988 CG GLN A 52 -1.952 5.431 2.208 1.00 0.60 C ATOM 989 CD GLN A 52 -2.084 6.673 1.354 1.00 0.85 C ATOM 990 OE1 GLN A 52 -1.666 6.688 0.196 1.00 0.89 O ATOM 991 NE2 GLN A 52 -2.624 7.735 1.921 1.00 1.32 N ATOM 0 H GLN A 52 -2.462 2.838 2.529 1.00 0.36 H new ATOM 0 HA GLN A 52 0.431 2.917 2.452 1.00 0.39 H new ATOM 0 HB2 GLN A 52 0.132 5.236 1.778 1.00 0.47 H new ATOM 0 HB3 GLN A 52 -0.899 4.188 0.824 1.00 0.47 H new ATOM 0 HG2 GLN A 52 -2.856 4.829 2.112 1.00 0.60 H new ATOM 0 HG3 GLN A 52 -1.872 5.720 3.256 1.00 0.60 H new ATOM 0 HE21 GLN A 52 -2.959 7.685 2.883 1.00 1.32 H new ATOM 0 HE22 GLN A 52 -2.706 8.606 1.397 1.00 1.32 H new ATOM 1000 N GLU A 53 -1.051 3.563 5.135 1.00 0.31 N ATOM 1001 CA GLU A 53 -0.870 3.966 6.522 1.00 0.32 C ATOM 1002 C GLU A 53 0.194 3.062 7.132 1.00 0.32 C ATOM 1003 O GLU A 53 1.112 3.519 7.812 1.00 0.39 O ATOM 1004 CB GLU A 53 -2.200 3.863 7.277 1.00 0.39 C ATOM 1005 CG GLU A 53 -2.367 4.847 8.433 1.00 0.66 C ATOM 1006 CD GLU A 53 -1.341 4.697 9.537 1.00 1.13 C ATOM 1007 OE1 GLU A 53 -1.496 3.793 10.382 1.00 1.89 O ATOM 1008 OE2 GLU A 53 -0.392 5.508 9.584 1.00 1.41 O ATOM 0 H GLU A 53 -1.835 2.930 4.975 1.00 0.31 H new ATOM 0 HA GLU A 53 -0.545 5.004 6.588 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -3.015 4.017 6.569 1.00 0.39 H new ATOM 0 HB3 GLU A 53 -2.302 2.850 7.665 1.00 0.39 H new ATOM 0 HG2 GLU A 53 -2.314 5.862 8.040 1.00 0.66 H new ATOM 0 HG3 GLU A 53 -3.362 4.722 8.859 1.00 0.66 H new ATOM 1015 N GLU A 54 0.064 1.771 6.845 1.00 0.33 N ATOM 1016 CA GLU A 54 1.097 0.798 7.149 1.00 0.39 C ATOM 1017 C GLU A 54 2.403 1.201 6.488 1.00 0.43 C ATOM 1018 O GLU A 54 3.472 1.132 7.096 1.00 0.54 O ATOM 1019 CB GLU A 54 0.665 -0.581 6.648 1.00 0.47 C ATOM 1020 CG GLU A 54 -0.063 -1.404 7.694 1.00 0.56 C ATOM 1021 CD GLU A 54 0.833 -1.756 8.862 1.00 1.15 C ATOM 1022 OE1 GLU A 54 1.719 -2.618 8.695 1.00 1.46 O ATOM 1023 OE2 GLU A 54 0.663 -1.169 9.947 1.00 1.84 O ATOM 0 H GLU A 54 -0.761 1.374 6.396 1.00 0.33 H new ATOM 0 HA GLU A 54 1.246 0.760 8.228 1.00 0.39 H new ATOM 0 HB2 GLU A 54 0.018 -0.457 5.780 1.00 0.47 H new ATOM 0 HB3 GLU A 54 1.546 -1.130 6.314 1.00 0.47 H new ATOM 0 HG2 GLU A 54 -0.928 -0.848 8.055 1.00 0.56 H new ATOM 0 HG3 GLU A 54 -0.440 -2.319 7.238 1.00 0.56 H new ATOM 1030 N ASN A 55 2.308 1.617 5.234 1.00 0.41 N ATOM 1031 CA ASN A 55 3.474 2.064 4.496 1.00 0.50 C ATOM 1032 C ASN A 55 3.723 3.539 4.736 1.00 0.57 C ATOM 1033 O ASN A 55 4.192 3.916 5.810 1.00 1.17 O ATOM 1034 CB ASN A 55 3.303 1.784 3.001 1.00 0.62 C ATOM 1035 CG ASN A 55 4.547 2.086 2.177 1.00 1.36 C ATOM 1036 OD1 ASN A 55 4.735 3.202 1.698 1.00 1.97 O ATOM 1037 ND2 ASN A 55 5.390 1.088 1.984 1.00 1.85 N ATOM 0 H ASN A 55 1.435 1.653 4.708 1.00 0.41 H new ATOM 0 HA ASN A 55 4.341 1.507 4.853 1.00 0.50 H new ATOM 0 HB2 ASN A 55 3.033 0.737 2.865 1.00 0.62 H new ATOM 0 HB3 ASN A 55 2.473 2.379 2.621 1.00 0.62 H new ATOM 0 HD21 ASN A 55 6.229 1.231 1.422 1.00 1.85 H new ATOM 0 HD22 ASN A 55 5.202 0.175 2.397 1.00 1.85 H new ATOM 1044 N ASN A 56 3.379 4.365 3.742 1.00 0.67 N ATOM 1045 CA ASN A 56 3.672 5.799 3.750 1.00 0.75 C ATOM 1046 C ASN A 56 5.185 6.029 3.669 1.00 0.99 C ATOM 1047 O ASN A 56 5.677 6.713 2.773 1.00 1.50 O ATOM 1048 CB ASN A 56 3.089 6.458 5.002 1.00 0.71 C ATOM 1049 CG ASN A 56 3.065 7.975 4.925 1.00 0.84 C ATOM 1050 OD1 ASN A 56 3.886 8.596 4.248 1.00 1.28 O ATOM 1051 ND2 ASN A 56 2.127 8.586 5.632 1.00 0.91 N ATOM 0 H ASN A 56 2.886 4.054 2.905 1.00 0.67 H new ATOM 0 HA ASN A 56 3.206 6.257 2.878 1.00 0.75 H new ATOM 0 HB2 ASN A 56 2.074 6.093 5.158 1.00 0.71 H new ATOM 0 HB3 ASN A 56 3.674 6.154 5.870 1.00 0.71 H new ATOM 0 HD21 ASN A 56 2.067 9.604 5.628 1.00 0.91 H new ATOM 0 HD22 ASN A 56 1.464 8.038 6.181 1.00 0.91 H new ATOM 1058 N ARG A 57 5.891 5.419 4.602 1.00 0.90 N ATOM 1059 CA ARG A 57 7.336 5.491 4.702 1.00 1.15 C ATOM 1060 C ARG A 57 7.968 4.212 4.155 1.00 1.21 C ATOM 1061 O ARG A 57 8.585 4.222 3.088 1.00 1.44 O ATOM 1062 CB ARG A 57 7.720 5.707 6.173 1.00 1.31 C ATOM 1063 CG ARG A 57 6.829 4.930 7.136 1.00 1.31 C ATOM 1064 CD ARG A 57 7.099 5.271 8.587 1.00 1.43 C ATOM 1065 NE ARG A 57 8.399 4.793 9.051 1.00 1.97 N ATOM 1066 CZ ARG A 57 9.034 5.297 10.106 1.00 2.54 C ATOM 1067 NH1 ARG A 57 8.532 6.348 10.748 1.00 2.69 N ATOM 1068 NH2 ARG A 57 10.177 4.756 10.510 1.00 3.47 N ATOM 0 H ARG A 57 5.465 4.845 5.330 1.00 0.90 H new ATOM 0 HA ARG A 57 7.708 6.326 4.108 1.00 1.15 H new ATOM 0 HB2 ARG A 57 8.757 5.406 6.321 1.00 1.31 H new ATOM 0 HB3 ARG A 57 7.660 6.770 6.407 1.00 1.31 H new ATOM 0 HG2 ARG A 57 5.784 5.139 6.906 1.00 1.31 H new ATOM 0 HG3 ARG A 57 6.981 3.862 6.984 1.00 1.31 H new ATOM 0 HD2 ARG A 57 7.048 6.352 8.716 1.00 1.43 H new ATOM 0 HD3 ARG A 57 6.315 4.838 9.209 1.00 1.43 H new ATOM 0 HE ARG A 57 8.844 4.032 8.538 1.00 1.97 H new ATOM 0 HH11 ARG A 57 7.659 6.769 10.432 1.00 2.69 H new ATOM 0 HH12 ARG A 57 9.020 6.733 11.557 1.00 2.69 H new ATOM 0 HH21 ARG A 57 10.567 3.956 10.012 1.00 3.47 H new ATOM 0 HH22 ARG A 57 10.666 5.141 11.319 1.00 3.47 H new ATOM 1082 N ALA A 58 7.782 3.107 4.879 1.00 1.14 N ATOM 1083 CA ALA A 58 8.302 1.809 4.470 1.00 1.28 C ATOM 1084 C ALA A 58 7.661 0.698 5.294 1.00 1.15 C ATOM 1085 O ALA A 58 8.095 0.414 6.409 1.00 1.52 O ATOM 1086 CB ALA A 58 9.817 1.762 4.610 1.00 1.91 C ATOM 0 H ALA A 58 7.269 3.090 5.760 1.00 1.14 H new ATOM 0 HA ALA A 58 8.051 1.658 3.420 1.00 1.28 H new ATOM 0 HB1 ALA A 58 10.181 0.783 4.299 1.00 1.91 H new ATOM 0 HB2 ALA A 58 10.265 2.532 3.982 1.00 1.91 H new ATOM 0 HB3 ALA A 58 10.092 1.937 5.650 1.00 1.91 H new ATOM 1092 N ALA A 59 6.605 0.104 4.755 1.00 1.24 N ATOM 1093 CA ALA A 59 5.888 -0.973 5.437 1.00 1.70 C ATOM 1094 C ALA A 59 6.581 -2.323 5.276 1.00 1.52 C ATOM 1095 O ALA A 59 7.406 -2.515 4.379 1.00 1.54 O ATOM 1096 CB ALA A 59 4.466 -1.083 4.909 1.00 2.43 C ATOM 0 H ALA A 59 6.222 0.349 3.842 1.00 1.24 H new ATOM 0 HA ALA A 59 5.877 -0.719 6.497 1.00 1.70 H new ATOM 0 HB1 ALA A 59 3.947 -1.889 5.427 1.00 2.43 H new ATOM 0 HB2 ALA A 59 3.940 -0.144 5.081 1.00 2.43 H new ATOM 0 HB3 ALA A 59 4.490 -1.295 3.840 1.00 2.43 H new ATOM 1102 N ALA A 60 6.217 -3.255 6.150 1.00 1.85 N ATOM 1103 CA ALA A 60 6.671 -4.636 6.064 1.00 1.85 C ATOM 1104 C ALA A 60 5.462 -5.556 5.931 1.00 2.49 C ATOM 1105 O ALA A 60 4.330 -5.105 6.133 1.00 3.18 O ATOM 1106 CB ALA A 60 7.504 -5.007 7.284 1.00 2.34 C ATOM 0 H ALA A 60 5.597 -3.072 6.939 1.00 1.85 H new ATOM 0 HA ALA A 60 7.305 -4.751 5.185 1.00 1.85 H new ATOM 0 HB1 ALA A 60 7.833 -6.043 7.199 1.00 2.34 H new ATOM 0 HB2 ALA A 60 8.375 -4.354 7.343 1.00 2.34 H new ATOM 0 HB3 ALA A 60 6.902 -4.890 8.185 1.00 2.34 H new ATOM 1112 N LEU A 61 5.707 -6.836 5.620 1.00 2.99 N ATOM 1113 CA LEU A 61 4.646 -7.799 5.324 1.00 4.03 C ATOM 1114 C LEU A 61 3.897 -7.425 4.044 1.00 4.34 C ATOM 1115 O LEU A 61 3.534 -6.267 3.836 1.00 4.63 O ATOM 1116 CB LEU A 61 3.684 -7.909 6.500 1.00 5.03 C ATOM 1117 CG LEU A 61 2.504 -8.868 6.305 1.00 5.72 C ATOM 1118 CD1 LEU A 61 2.978 -10.312 6.263 1.00 6.55 C ATOM 1119 CD2 LEU A 61 1.470 -8.671 7.401 1.00 6.16 C ATOM 0 H LEU A 61 6.647 -7.229 5.567 1.00 2.99 H new ATOM 0 HA LEU A 61 5.110 -8.772 5.163 1.00 4.03 H new ATOM 0 HB2 LEU A 61 4.247 -8.228 7.377 1.00 5.03 H new ATOM 0 HB3 LEU A 61 3.290 -6.916 6.717 1.00 5.03 H new ATOM 0 HG LEU A 61 2.036 -8.641 5.347 1.00 5.72 H new ATOM 0 HD11 LEU A 61 2.122 -10.972 6.124 1.00 6.55 H new ATOM 0 HD12 LEU A 61 3.675 -10.442 5.435 1.00 6.55 H new ATOM 0 HD13 LEU A 61 3.478 -10.558 7.200 1.00 6.55 H new ATOM 0 HD21 LEU A 61 0.640 -9.360 7.246 1.00 6.16 H new ATOM 0 HD22 LEU A 61 1.927 -8.865 8.371 1.00 6.16 H new ATOM 0 HD23 LEU A 61 1.101 -7.646 7.373 1.00 6.16 H new ATOM 1131 N SER A 62 3.684 -8.415 3.181 1.00 4.74 N ATOM 1132 CA SER A 62 3.051 -8.198 1.886 1.00 5.35 C ATOM 1133 C SER A 62 3.859 -7.201 1.057 1.00 5.02 C ATOM 1134 O SER A 62 3.341 -6.567 0.145 1.00 5.49 O ATOM 1135 CB SER A 62 1.622 -7.703 2.085 1.00 6.13 C ATOM 1136 OG SER A 62 0.832 -8.688 2.735 1.00 6.82 O ATOM 0 H SER A 62 3.944 -9.385 3.360 1.00 4.74 H new ATOM 0 HA SER A 62 3.021 -9.143 1.343 1.00 5.35 H new ATOM 0 HB2 SER A 62 1.629 -6.788 2.677 1.00 6.13 H new ATOM 0 HB3 SER A 62 1.181 -7.455 1.120 1.00 6.13 H new ATOM 0 HG SER A 62 0.125 -8.993 2.128 1.00 6.82 H new ATOM 1142 N SER A 63 5.139 -7.086 1.378 1.00 4.58 N ATOM 1143 CA SER A 63 6.058 -6.211 0.670 1.00 4.63 C ATOM 1144 C SER A 63 7.483 -6.642 0.973 1.00 4.13 C ATOM 1145 O SER A 63 8.188 -7.155 0.100 1.00 4.53 O ATOM 1146 CB SER A 63 5.858 -4.741 1.078 1.00 5.39 C ATOM 1147 OG SER A 63 4.583 -4.255 0.694 1.00 6.30 O ATOM 0 H SER A 63 5.572 -7.602 2.144 1.00 4.58 H new ATOM 0 HA SER A 63 5.861 -6.289 -0.399 1.00 4.63 H new ATOM 0 HB2 SER A 63 5.973 -4.645 2.158 1.00 5.39 H new ATOM 0 HB3 SER A 63 6.634 -4.128 0.619 1.00 5.39 H new ATOM 0 HG SER A 63 4.063 -4.982 0.292 1.00 6.30 H new ATOM 1153 N ASP A 64 7.882 -6.436 2.233 1.00 3.70 N ATOM 1154 CA ASP A 64 9.175 -6.880 2.746 1.00 3.78 C ATOM 1155 C ASP A 64 10.313 -6.468 1.822 1.00 3.64 C ATOM 1156 O ASP A 64 11.263 -7.221 1.609 1.00 4.24 O ATOM 1157 CB ASP A 64 9.146 -8.393 2.923 1.00 4.76 C ATOM 1158 CG ASP A 64 8.024 -8.851 3.833 1.00 5.44 C ATOM 1159 OD1 ASP A 64 8.189 -8.808 5.069 1.00 5.89 O ATOM 1160 OD2 ASP A 64 6.964 -9.263 3.310 1.00 5.83 O ATOM 0 H ASP A 64 7.311 -5.953 2.927 1.00 3.70 H new ATOM 0 HA ASP A 64 9.355 -6.402 3.709 1.00 3.78 H new ATOM 0 HB2 ASP A 64 9.035 -8.867 1.948 1.00 4.76 H new ATOM 0 HB3 ASP A 64 10.100 -8.726 3.332 1.00 4.76 H new ATOM 1165 N VAL A 65 10.202 -5.254 1.294 1.00 3.46 N ATOM 1166 CA VAL A 65 11.159 -4.717 0.334 1.00 4.03 C ATOM 1167 C VAL A 65 12.582 -4.748 0.881 1.00 4.57 C ATOM 1168 O VAL A 65 13.397 -5.582 0.489 1.00 5.28 O ATOM 1169 CB VAL A 65 10.799 -3.261 -0.021 1.00 4.22 C ATOM 1170 CG1 VAL A 65 11.717 -2.721 -1.107 1.00 5.28 C ATOM 1171 CG2 VAL A 65 9.344 -3.153 -0.449 1.00 4.30 C ATOM 0 H VAL A 65 9.442 -4.612 1.521 1.00 3.46 H new ATOM 0 HA VAL A 65 11.110 -5.345 -0.555 1.00 4.03 H new ATOM 0 HB VAL A 65 10.939 -2.654 0.874 1.00 4.22 H new ATOM 0 HG11 VAL A 65 11.441 -1.692 -1.338 1.00 5.28 H new ATOM 0 HG12 VAL A 65 12.749 -2.750 -0.758 1.00 5.28 H new ATOM 0 HG13 VAL A 65 11.619 -3.333 -2.004 1.00 5.28 H new ATOM 0 HG21 VAL A 65 9.113 -2.116 -0.695 1.00 4.30 H new ATOM 0 HG22 VAL A 65 9.175 -3.780 -1.325 1.00 4.30 H new ATOM 0 HG23 VAL A 65 8.700 -3.485 0.365 1.00 4.30 H new ATOM 1181 N ILE A 66 12.868 -3.821 1.780 1.00 4.67 N ATOM 1182 CA ILE A 66 14.180 -3.725 2.397 1.00 5.63 C ATOM 1183 C ILE A 66 14.021 -3.491 3.888 1.00 5.81 C ATOM 1184 O ILE A 66 14.654 -4.163 4.700 1.00 6.55 O ATOM 1185 CB ILE A 66 15.019 -2.573 1.796 1.00 6.56 C ATOM 1186 CG1 ILE A 66 15.070 -2.675 0.268 1.00 6.73 C ATOM 1187 CG2 ILE A 66 16.425 -2.602 2.371 1.00 7.45 C ATOM 1188 CD1 ILE A 66 15.744 -1.496 -0.403 1.00 7.56 C ATOM 0 H ILE A 66 12.202 -3.118 2.101 1.00 4.67 H new ATOM 0 HA ILE A 66 14.703 -4.662 2.207 1.00 5.63 H new ATOM 0 HB ILE A 66 14.545 -1.627 2.058 1.00 6.56 H new ATOM 0 HG12 ILE A 66 15.597 -3.588 -0.008 1.00 6.73 H new ATOM 0 HG13 ILE A 66 14.053 -2.766 -0.115 1.00 6.73 H new ATOM 0 HG21 ILE A 66 17.010 -1.788 1.943 1.00 7.45 H new ATOM 0 HG22 ILE A 66 16.378 -2.485 3.454 1.00 7.45 H new ATOM 0 HG23 ILE A 66 16.897 -3.554 2.129 1.00 7.45 H new ATOM 0 HD11 ILE A 66 15.741 -1.642 -1.483 1.00 7.56 H new ATOM 0 HD12 ILE A 66 15.204 -0.581 -0.159 1.00 7.56 H new ATOM 0 HD13 ILE A 66 16.772 -1.416 -0.051 1.00 7.56 H new ATOM 1200 N SER A 67 13.151 -2.535 4.224 1.00 5.44 N ATOM 1201 CA SER A 67 12.855 -2.178 5.611 1.00 5.98 C ATOM 1202 C SER A 67 14.053 -1.480 6.256 1.00 7.11 C ATOM 1203 O SER A 67 14.067 -0.253 6.372 1.00 7.59 O ATOM 1204 CB SER A 67 12.418 -3.417 6.406 1.00 6.10 C ATOM 1205 OG SER A 67 12.169 -3.110 7.768 1.00 6.60 O ATOM 0 H SER A 67 12.631 -1.986 3.539 1.00 5.44 H new ATOM 0 HA SER A 67 12.024 -1.473 5.622 1.00 5.98 H new ATOM 0 HB2 SER A 67 11.517 -3.837 5.958 1.00 6.10 H new ATOM 0 HB3 SER A 67 13.192 -4.181 6.342 1.00 6.10 H new ATOM 0 HG SER A 67 11.892 -3.922 8.241 1.00 6.60 H new ATOM 1211 N ALA A 68 15.066 -2.243 6.646 1.00 7.74 N ATOM 1212 CA ALA A 68 16.270 -1.664 7.218 1.00 8.91 C ATOM 1213 C ALA A 68 17.160 -1.098 6.120 1.00 9.09 C ATOM 1214 O ALA A 68 17.604 -1.831 5.238 1.00 8.87 O ATOM 1215 CB ALA A 68 17.028 -2.701 8.033 1.00 9.69 C ATOM 0 H ALA A 68 15.076 -3.261 6.576 1.00 7.74 H new ATOM 0 HA ALA A 68 15.978 -0.851 7.883 1.00 8.91 H new ATOM 0 HB1 ALA A 68 17.926 -2.248 8.453 1.00 9.69 H new ATOM 0 HB2 ALA A 68 16.393 -3.064 8.841 1.00 9.69 H new ATOM 0 HB3 ALA A 68 17.309 -3.535 7.390 1.00 9.69 H new ATOM 1221 N LEU A 69 17.405 0.213 6.185 1.00 9.69 N ATOM 1222 CA LEU A 69 18.225 0.912 5.198 1.00 10.15 C ATOM 1223 C LEU A 69 17.608 0.770 3.811 1.00 9.38 C ATOM 1224 O LEU A 69 18.125 0.058 2.957 1.00 9.52 O ATOM 1225 CB LEU A 69 19.664 0.378 5.207 1.00 10.80 C ATOM 1226 CG LEU A 69 20.347 0.397 6.577 1.00 11.70 C ATOM 1227 CD1 LEU A 69 21.701 -0.292 6.506 1.00 12.35 C ATOM 1228 CD2 LEU A 69 20.502 1.827 7.079 1.00 12.59 C ATOM 0 H LEU A 69 17.041 0.817 6.922 1.00 9.69 H new ATOM 0 HA LEU A 69 18.258 1.969 5.461 1.00 10.15 H new ATOM 0 HB2 LEU A 69 19.659 -0.646 4.833 1.00 10.80 H new ATOM 0 HB3 LEU A 69 20.260 0.968 4.511 1.00 10.80 H new ATOM 0 HG LEU A 69 19.719 -0.148 7.282 1.00 11.70 H new ATOM 0 HD11 LEU A 69 22.173 -0.269 7.488 1.00 12.35 H new ATOM 0 HD12 LEU A 69 21.567 -1.327 6.192 1.00 12.35 H new ATOM 0 HD13 LEU A 69 22.336 0.226 5.787 1.00 12.35 H new ATOM 0 HD21 LEU A 69 20.989 1.820 8.054 1.00 12.59 H new ATOM 0 HD22 LEU A 69 21.108 2.396 6.374 1.00 12.59 H new ATOM 0 HD23 LEU A 69 19.519 2.290 7.168 1.00 12.59 H new ATOM 1240 N SER A 70 16.500 1.468 3.590 1.00 8.79 N ATOM 1241 CA SER A 70 15.709 1.302 2.371 1.00 8.22 C ATOM 1242 C SER A 70 16.355 1.986 1.156 1.00 8.84 C ATOM 1243 O SER A 70 15.665 2.422 0.235 1.00 8.93 O ATOM 1244 CB SER A 70 14.309 1.861 2.612 1.00 8.19 C ATOM 1245 OG SER A 70 13.770 1.367 3.830 1.00 7.74 O ATOM 0 H SER A 70 16.126 2.158 4.241 1.00 8.79 H new ATOM 0 HA SER A 70 15.658 0.238 2.140 1.00 8.22 H new ATOM 0 HB2 SER A 70 14.348 2.950 2.642 1.00 8.19 H new ATOM 0 HB3 SER A 70 13.656 1.588 1.783 1.00 8.19 H new ATOM 0 HG SER A 70 12.873 1.739 3.966 1.00 7.74 H new ATOM 1251 N SER A 71 17.676 2.065 1.160 1.00 9.47 N ATOM 1252 CA SER A 71 18.430 2.627 0.050 1.00 10.26 C ATOM 1253 C SER A 71 19.830 2.028 0.043 1.00 10.85 C ATOM 1254 O SER A 71 20.780 2.642 -0.440 1.00 11.64 O ATOM 1255 CB SER A 71 18.520 4.148 0.182 1.00 11.01 C ATOM 1256 OG SER A 71 17.228 4.730 0.273 1.00 11.01 O ATOM 0 H SER A 71 18.257 1.741 1.934 1.00 9.47 H new ATOM 0 HA SER A 71 17.921 2.389 -0.884 1.00 10.26 H new ATOM 0 HB2 SER A 71 19.102 4.406 1.067 1.00 11.01 H new ATOM 0 HB3 SER A 71 19.048 4.560 -0.678 1.00 11.01 H new ATOM 0 HG SER A 71 17.313 5.703 0.358 1.00 11.01 H new ATOM 1262 N GLN A 72 19.934 0.817 0.579 1.00 10.63 N ATOM 1263 CA GLN A 72 21.222 0.174 0.781 1.00 11.35 C ATOM 1264 C GLN A 72 21.952 -0.120 -0.525 1.00 12.08 C ATOM 1265 O GLN A 72 21.351 -0.439 -1.552 1.00 12.07 O ATOM 1266 CB GLN A 72 21.074 -1.112 1.615 1.00 11.11 C ATOM 1267 CG GLN A 72 19.793 -1.912 1.372 1.00 10.22 C ATOM 1268 CD GLN A 72 19.637 -2.425 -0.046 1.00 10.42 C ATOM 1269 OE1 GLN A 72 19.024 -1.772 -0.892 1.00 10.46 O ATOM 1270 NE2 GLN A 72 20.197 -3.594 -0.314 1.00 10.77 N ATOM 0 H GLN A 72 19.135 0.260 0.882 1.00 10.63 H new ATOM 0 HA GLN A 72 21.835 0.887 1.333 1.00 11.35 H new ATOM 0 HB2 GLN A 72 21.929 -1.757 1.410 1.00 11.11 H new ATOM 0 HB3 GLN A 72 21.121 -0.846 2.671 1.00 11.11 H new ATOM 0 HG2 GLN A 72 19.773 -2.760 2.057 1.00 10.22 H new ATOM 0 HG3 GLN A 72 18.935 -1.285 1.615 1.00 10.22 H new ATOM 0 HE21 GLN A 72 20.695 -4.101 0.418 1.00 10.77 H new ATOM 0 HE22 GLN A 72 20.130 -3.988 -1.252 1.00 10.77 H new ATOM 1279 N LYS A 73 23.257 0.045 -0.476 1.00 12.85 N ATOM 1280 CA LYS A 73 24.126 -0.365 -1.559 1.00 13.68 C ATOM 1281 C LYS A 73 24.684 -1.754 -1.263 1.00 14.18 C ATOM 1282 O LYS A 73 25.151 -2.022 -0.156 1.00 14.47 O ATOM 1283 CB LYS A 73 25.264 0.647 -1.757 1.00 14.41 C ATOM 1284 CG LYS A 73 26.198 0.813 -0.559 1.00 14.85 C ATOM 1285 CD LYS A 73 25.555 1.636 0.548 1.00 14.25 C ATOM 1286 CE LYS A 73 26.474 1.796 1.746 1.00 14.52 C ATOM 1287 NZ LYS A 73 25.851 2.629 2.808 1.00 14.92 N ATOM 0 H LYS A 73 23.745 0.466 0.314 1.00 12.85 H new ATOM 0 HA LYS A 73 23.550 -0.401 -2.484 1.00 13.68 H new ATOM 0 HB2 LYS A 73 25.856 0.341 -2.620 1.00 14.41 H new ATOM 0 HB3 LYS A 73 24.829 1.617 -1.996 1.00 14.41 H new ATOM 0 HG2 LYS A 73 26.470 -0.169 -0.171 1.00 14.85 H new ATOM 0 HG3 LYS A 73 27.121 1.295 -0.881 1.00 14.85 H new ATOM 0 HD2 LYS A 73 25.290 2.620 0.161 1.00 14.25 H new ATOM 0 HD3 LYS A 73 24.628 1.157 0.864 1.00 14.25 H new ATOM 0 HE2 LYS A 73 26.719 0.814 2.150 1.00 14.52 H new ATOM 0 HE3 LYS A 73 27.411 2.253 1.428 1.00 14.52 H new ATOM 0 HZ1 LYS A 73 26.507 2.717 3.610 1.00 14.92 H new ATOM 0 HZ2 LYS A 73 25.640 3.574 2.429 1.00 14.92 H new ATOM 0 HZ3 LYS A 73 24.970 2.180 3.129 1.00 14.92 H new ATOM 1301 N LYS A 74 24.603 -2.638 -2.238 1.00 14.42 N ATOM 1302 CA LYS A 74 25.084 -4.000 -2.075 1.00 15.05 C ATOM 1303 C LYS A 74 25.603 -4.499 -3.413 1.00 16.04 C ATOM 1304 O LYS A 74 24.778 -4.886 -4.261 1.00 16.42 O ATOM 1305 CB LYS A 74 23.955 -4.903 -1.553 1.00 14.62 C ATOM 1306 CG LYS A 74 24.421 -6.222 -0.933 1.00 13.81 C ATOM 1307 CD LYS A 74 25.015 -7.194 -1.952 1.00 13.84 C ATOM 1308 CE LYS A 74 23.952 -7.888 -2.801 1.00 13.62 C ATOM 1309 NZ LYS A 74 23.185 -6.941 -3.654 1.00 13.67 N ATOM 1310 OXT LYS A 74 26.830 -4.485 -3.618 1.00 16.53 O ATOM 0 H LYS A 74 24.207 -2.438 -3.156 1.00 14.42 H new ATOM 0 HA LYS A 74 25.893 -4.024 -1.345 1.00 15.05 H new ATOM 0 HB2 LYS A 74 23.382 -4.350 -0.808 1.00 14.62 H new ATOM 0 HB3 LYS A 74 23.276 -5.125 -2.377 1.00 14.62 H new ATOM 0 HG2 LYS A 74 25.166 -6.011 -0.166 1.00 13.81 H new ATOM 0 HG3 LYS A 74 23.577 -6.699 -0.435 1.00 13.81 H new ATOM 0 HD2 LYS A 74 25.699 -6.654 -2.606 1.00 13.84 H new ATOM 0 HD3 LYS A 74 25.603 -7.947 -1.428 1.00 13.84 H new ATOM 0 HE2 LYS A 74 24.431 -8.635 -3.435 1.00 13.62 H new ATOM 0 HE3 LYS A 74 23.262 -8.421 -2.147 1.00 13.62 H new ATOM 0 HZ1 LYS A 74 22.819 -7.443 -4.488 1.00 13.67 H new ATOM 0 HZ2 LYS A 74 22.391 -6.548 -3.109 1.00 13.67 H new ATOM 0 HZ3 LYS A 74 23.809 -6.168 -3.962 1.00 13.67 H new TER 1324 LYS A 74