USER MOD reduce.3.24.130724 H: found=0, std=0, add=1260, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1257 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: B 60 ASN : amide:sc= 0.465 K(o=1.2,f=-0.67) USER MOD Set 1.2: B 62 GLN : amide:sc= 0.781 K(o=1.2,f=-0.47) USER MOD Set 2.1: B 55 THR OG1 : rot -56:sc= 1.19 USER MOD Set 2.2: B 57 SER OG : rot -81:sc= 1.35 USER MOD Set 3.1: A 49 GLN :FLIP amide:sc= -0.334 F(o=-2.2,f=-1.6) USER MOD Set 3.2: B 49 GLN : amide:sc= -1.29 K(o=-1.6,f=-2.5) USER MOD Set 4.1: B 25 ASN : amide:sc= 0.967 K(o=2,f=-0.5!) USER MOD Set 4.2: B 29 LYS NZ :NH3+ -124:sc= 1.05 (180deg=0.496) USER MOD Set 5.1: B 7 THR OG1 : rot 52:sc= 1.25 USER MOD Set 5.2: B 9 THR OG1 : rot 180:sc= 0.108 USER MOD Set 6.1: A 60 ASN : amide:sc= -0.24 K(o=-0.22,f=-1.9) USER MOD Set 6.2: A 62 GLN : amide:sc= 0.0192 K(o=-0.22,f=-0.81) USER MOD Set 7.1: A 55 THR OG1 : rot -59:sc= 1.12 USER MOD Set 7.2: A 57 SER OG : rot -89:sc= 1.38 USER MOD Set 8.1: A 48 LYS NZ :NH3+ -148:sc= 0.387! (180deg=-0.797) USER MOD Set 8.2: A 59 TYR OH : rot 37:sc= 1.14 USER MOD Set 9.1: A 7 THR OG1 : rot 41:sc= 1.16 USER MOD Set 9.2: A 9 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 1 MET CE :methyl -177:sc= -0.131 (180deg=-0.145) USER MOD Single : A 1 MET N :NH3+ 154:sc= 2.35 (180deg=2.18) USER MOD Single : A 2 GLN : amide:sc= 0.0377 X(o=0.038,f=-0.04) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= 1.3 (180deg=0.0555) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0556 USER MOD Single : A 22 THR OG1 : rot 132:sc= 1.36 USER MOD Single : A 25 ASN : amide:sc= 1.1 K(o=1.1,f=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ 149:sc= 1.46 (180deg=1.25) USER MOD Single : A 29 LYS NZ :NH3+ -126:sc= 1.18 (180deg=0.437) USER MOD Single : A 31 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.699 K(o=0.7,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -1.73 K(o=-1.7,f=-9!) USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= -0.181 (180deg=-0.896) USER MOD Single : A 65 SER OG : rot 105:sc= 0.735 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.337! C(o=-0.34!,f=-3.4!) USER MOD Single : B 1 MET CE :methyl -170:sc= 0 (180deg=-0.0978) USER MOD Single : B 1 MET N :NH3+ 176:sc= 1.8 (180deg=1.77) USER MOD Single : B 2 GLN : amide:sc= 0.774 K(o=0.77,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 146:sc= 1.58 (180deg=-0.564) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0.0181 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 LYS NZ :NH3+ -153:sc= 0.526 (180deg=-1.1!) USER MOD Single : B 31 GLN : amide:sc= -1.35 K(o=-1.3,f=-1.9) USER MOD Single : B 33 LYS NZ :NH3+ 170:sc= 0.709 (180deg=0.655) USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 41 GLN : amide:sc= -1.4 K(o=-1.4,f=-7.2!) USER MOD Single : B 48 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.704) USER MOD Single : B 59 TYR OH : rot 55:sc= 1.78 USER MOD Single : B 63 LYS NZ :NH3+ 157:sc= -0.155 (180deg=-0.542) USER MOD Single : B 65 SER OG : rot 67:sc= 0.777 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= -0.0866 X(o=-0.087,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.282 23.521 6.541 1.00 0.86 N ATOM 2 CA MET A 1 -3.591 22.846 6.700 1.00 0.85 C ATOM 3 C MET A 1 -3.416 21.494 7.380 1.00 0.82 C ATOM 4 O MET A 1 -2.462 20.769 7.106 1.00 0.77 O ATOM 5 CB MET A 1 -4.292 22.685 5.343 1.00 0.81 C ATOM 6 CG MET A 1 -3.583 21.752 4.373 1.00 0.73 C ATOM 7 SD MET A 1 -4.400 21.679 2.767 1.00 0.79 S ATOM 8 CE MET A 1 -3.555 20.287 2.019 1.00 0.71 C ATOM 0 H1 MET A 1 -2.325 24.177 5.735 1.00 0.86 H new ATOM 0 H2 MET A 1 -2.057 24.051 7.407 1.00 0.86 H new ATOM 0 H3 MET A 1 -1.543 22.810 6.369 1.00 0.86 H new ATOM 0 HA MET A 1 -4.221 23.470 7.333 1.00 0.85 H new ATOM 0 HB2 MET A 1 -5.302 22.313 5.512 1.00 0.81 H new ATOM 0 HB3 MET A 1 -4.387 23.667 4.879 1.00 0.81 H new ATOM 0 HG2 MET A 1 -2.554 22.085 4.239 1.00 0.73 H new ATOM 0 HG3 MET A 1 -3.540 20.751 4.802 1.00 0.73 H new ATOM 0 HE1 MET A 1 -3.913 20.149 0.999 1.00 0.71 H new ATOM 0 HE2 MET A 1 -2.482 20.478 2.004 1.00 0.71 H new ATOM 0 HE3 MET A 1 -3.755 19.386 2.598 1.00 0.71 H new ATOM 20 N GLN A 2 -4.335 21.169 8.276 1.00 0.85 N ATOM 21 CA GLN A 2 -4.285 19.914 9.015 1.00 0.84 C ATOM 22 C GLN A 2 -4.785 18.750 8.163 1.00 0.75 C ATOM 23 O GLN A 2 -5.615 18.931 7.273 1.00 0.76 O ATOM 24 CB GLN A 2 -5.133 20.030 10.287 1.00 0.95 C ATOM 25 CG GLN A 2 -4.849 18.955 11.323 1.00 1.04 C ATOM 26 CD GLN A 2 -5.834 18.978 12.482 1.00 1.15 C ATOM 27 OE1 GLN A 2 -5.462 18.735 13.630 1.00 1.32 O ATOM 28 NE2 GLN A 2 -7.099 19.247 12.190 1.00 1.48 N ATOM 0 H GLN A 2 -5.131 21.762 8.511 1.00 0.85 H new ATOM 0 HA GLN A 2 -3.247 19.716 9.282 1.00 0.84 H new ATOM 0 HB2 GLN A 2 -4.961 21.008 10.737 1.00 0.95 H new ATOM 0 HB3 GLN A 2 -6.187 19.986 10.013 1.00 0.95 H new ATOM 0 HG2 GLN A 2 -4.882 17.977 10.843 1.00 1.04 H new ATOM 0 HG3 GLN A 2 -3.838 19.087 11.709 1.00 1.04 H new ATOM 0 HE21 GLN A 2 -7.369 19.444 11.226 1.00 1.48 H new ATOM 0 HE22 GLN A 2 -7.802 19.257 12.929 1.00 1.48 H new ATOM 37 N ILE A 3 -4.271 17.561 8.451 1.00 0.67 N ATOM 38 CA ILE A 3 -4.658 16.343 7.745 1.00 0.59 C ATOM 39 C ILE A 3 -4.687 15.182 8.726 1.00 0.56 C ATOM 40 O ILE A 3 -4.008 15.221 9.753 1.00 0.59 O ATOM 41 CB ILE A 3 -3.706 15.986 6.580 1.00 0.52 C ATOM 42 CG1 ILE A 3 -2.248 15.998 7.048 1.00 0.51 C ATOM 43 CG2 ILE A 3 -3.909 16.935 5.406 1.00 0.54 C ATOM 44 CD1 ILE A 3 -1.320 15.201 6.156 1.00 0.44 C ATOM 0 H ILE A 3 -3.574 17.412 9.181 1.00 0.67 H new ATOM 0 HA ILE A 3 -5.643 16.526 7.316 1.00 0.59 H new ATOM 0 HB ILE A 3 -3.944 14.977 6.243 1.00 0.52 H new ATOM 0 HG12 ILE A 3 -1.898 17.029 7.094 1.00 0.51 H new ATOM 0 HG13 ILE A 3 -2.197 15.599 8.061 1.00 0.51 H new ATOM 0 HG21 ILE A 3 -3.229 16.665 4.598 1.00 0.54 H new ATOM 0 HG22 ILE A 3 -4.938 16.863 5.054 1.00 0.54 H new ATOM 0 HG23 ILE A 3 -3.706 17.957 5.725 1.00 0.54 H new ATOM 0 HD11 ILE A 3 -0.304 15.254 6.548 1.00 0.44 H new ATOM 0 HD12 ILE A 3 -1.645 14.161 6.130 1.00 0.44 H new ATOM 0 HD13 ILE A 3 -1.342 15.614 5.147 1.00 0.44 H new ATOM 56 N PHE A 4 -5.465 14.160 8.410 1.00 0.54 N ATOM 57 CA PHE A 4 -5.594 12.991 9.270 1.00 0.55 C ATOM 58 C PHE A 4 -5.095 11.742 8.552 1.00 0.53 C ATOM 59 O PHE A 4 -5.709 11.289 7.588 1.00 0.56 O ATOM 60 CB PHE A 4 -7.059 12.787 9.679 1.00 0.59 C ATOM 61 CG PHE A 4 -7.607 13.850 10.590 1.00 0.73 C ATOM 62 CD1 PHE A 4 -7.884 15.122 10.111 1.00 0.96 C ATOM 63 CD2 PHE A 4 -7.854 13.575 11.927 1.00 0.79 C ATOM 64 CE1 PHE A 4 -8.393 16.097 10.946 1.00 1.11 C ATOM 65 CE2 PHE A 4 -8.365 14.547 12.766 1.00 0.98 C ATOM 66 CZ PHE A 4 -8.634 15.809 12.276 1.00 1.08 C ATOM 0 H PHE A 4 -6.022 14.115 7.557 1.00 0.54 H new ATOM 0 HA PHE A 4 -4.990 13.159 10.161 1.00 0.55 H new ATOM 0 HB2 PHE A 4 -7.672 12.747 8.779 1.00 0.59 H new ATOM 0 HB3 PHE A 4 -7.154 11.820 10.172 1.00 0.59 H new ATOM 0 HD1 PHE A 4 -7.699 15.353 9.072 1.00 0.96 H new ATOM 0 HD2 PHE A 4 -7.645 12.590 12.317 1.00 0.79 H new ATOM 0 HE1 PHE A 4 -8.603 17.084 10.560 1.00 1.11 H new ATOM 0 HE2 PHE A 4 -8.554 14.319 13.805 1.00 0.98 H new ATOM 0 HZ PHE A 4 -9.032 16.570 12.931 1.00 1.08 H new ATOM 76 N VAL A 5 -3.986 11.187 9.008 1.00 0.53 N ATOM 77 CA VAL A 5 -3.439 9.983 8.398 1.00 0.54 C ATOM 78 C VAL A 5 -3.653 8.800 9.336 1.00 0.57 C ATOM 79 O VAL A 5 -3.043 8.728 10.404 1.00 0.62 O ATOM 80 CB VAL A 5 -1.933 10.130 8.081 1.00 0.54 C ATOM 81 CG1 VAL A 5 -1.412 8.899 7.354 1.00 0.60 C ATOM 82 CG2 VAL A 5 -1.677 11.383 7.256 1.00 0.49 C ATOM 0 H VAL A 5 -3.447 11.547 9.795 1.00 0.53 H new ATOM 0 HA VAL A 5 -3.960 9.817 7.455 1.00 0.54 H new ATOM 0 HB VAL A 5 -1.396 10.224 9.025 1.00 0.54 H new ATOM 0 HG11 VAL A 5 -0.350 9.024 7.141 1.00 0.60 H new ATOM 0 HG12 VAL A 5 -1.555 8.019 7.981 1.00 0.60 H new ATOM 0 HG13 VAL A 5 -1.957 8.771 6.419 1.00 0.60 H new ATOM 0 HG21 VAL A 5 -0.611 11.468 7.044 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -2.230 11.321 6.319 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -2.007 12.260 7.814 1.00 0.49 H new ATOM 92 N LYS A 6 -4.548 7.898 8.960 1.00 0.58 N ATOM 93 CA LYS A 6 -4.848 6.735 9.783 1.00 0.61 C ATOM 94 C LYS A 6 -4.260 5.463 9.188 1.00 0.57 C ATOM 95 O LYS A 6 -4.554 5.102 8.041 1.00 0.56 O ATOM 96 CB LYS A 6 -6.362 6.580 9.935 1.00 0.68 C ATOM 97 CG LYS A 6 -7.027 7.775 10.589 1.00 0.70 C ATOM 98 CD LYS A 6 -8.526 7.579 10.733 1.00 0.83 C ATOM 99 CE LYS A 6 -9.180 8.804 11.351 1.00 1.43 C ATOM 100 NZ LYS A 6 -10.540 8.511 11.870 1.00 1.82 N ATOM 0 H LYS A 6 -5.079 7.949 8.091 1.00 0.58 H new ATOM 0 HA LYS A 6 -4.394 6.893 10.761 1.00 0.61 H new ATOM 0 HB2 LYS A 6 -6.804 6.421 8.951 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -6.571 5.689 10.526 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -6.587 7.943 11.572 1.00 0.70 H new ATOM 0 HG3 LYS A 6 -6.833 8.669 9.996 1.00 0.70 H new ATOM 0 HD2 LYS A 6 -8.966 7.382 9.755 1.00 0.83 H new ATOM 0 HD3 LYS A 6 -8.724 6.705 11.354 1.00 0.83 H new ATOM 0 HE2 LYS A 6 -8.555 9.177 12.163 1.00 1.43 H new ATOM 0 HE3 LYS A 6 -9.240 9.597 10.605 1.00 1.43 H new ATOM 0 HZ1 LYS A 6 -10.948 9.374 12.282 1.00 1.82 H new ATOM 0 HZ2 LYS A 6 -11.145 8.180 11.091 1.00 1.82 H new ATOM 0 HZ3 LYS A 6 -10.481 7.773 12.600 1.00 1.82 H new ATOM 114 N THR A 7 -3.436 4.785 9.967 1.00 0.59 N ATOM 115 CA THR A 7 -2.827 3.548 9.522 1.00 0.58 C ATOM 116 C THR A 7 -3.723 2.365 9.886 1.00 0.61 C ATOM 117 O THR A 7 -4.570 2.473 10.777 1.00 0.67 O ATOM 118 CB THR A 7 -1.412 3.359 10.118 1.00 0.60 C ATOM 119 OG1 THR A 7 -0.841 2.126 9.666 1.00 1.25 O ATOM 120 CG2 THR A 7 -1.452 3.374 11.632 1.00 0.94 C ATOM 0 H THR A 7 -3.174 5.071 10.910 1.00 0.59 H new ATOM 0 HA THR A 7 -2.720 3.598 8.438 1.00 0.58 H new ATOM 0 HB THR A 7 -0.794 4.190 9.778 1.00 0.60 H new ATOM 0 HG1 THR A 7 -1.046 1.999 8.716 1.00 1.25 H new ATOM 0 HG21 THR A 7 -0.444 3.239 12.024 1.00 0.94 H new ATOM 0 HG22 THR A 7 -1.850 4.328 11.976 1.00 0.94 H new ATOM 0 HG23 THR A 7 -2.091 2.565 11.987 1.00 0.94 H new ATOM 128 N LEU A 8 -3.538 1.245 9.196 1.00 0.63 N ATOM 129 CA LEU A 8 -4.344 0.047 9.431 1.00 0.69 C ATOM 130 C LEU A 8 -4.123 -0.535 10.827 1.00 0.72 C ATOM 131 O LEU A 8 -4.926 -1.340 11.298 1.00 0.82 O ATOM 132 CB LEU A 8 -4.048 -1.022 8.374 1.00 0.78 C ATOM 133 CG LEU A 8 -4.527 -0.701 6.952 1.00 0.95 C ATOM 134 CD1 LEU A 8 -4.482 -1.948 6.082 1.00 1.58 C ATOM 135 CD2 LEU A 8 -5.936 -0.119 6.969 1.00 1.89 C ATOM 0 H LEU A 8 -2.834 1.139 8.465 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.388 0.352 9.357 1.00 0.69 H new ATOM 0 HB2 LEU A 8 -2.972 -1.191 8.346 1.00 0.78 H new ATOM 0 HB3 LEU A 8 -4.509 -1.958 8.691 1.00 0.78 H new ATOM 0 HG LEU A 8 -3.855 0.046 6.530 1.00 0.95 H new ATOM 0 HD11 LEU A 8 -4.825 -1.703 5.077 1.00 1.58 H new ATOM 0 HD12 LEU A 8 -3.459 -2.322 6.035 1.00 1.58 H new ATOM 0 HD13 LEU A 8 -5.129 -2.714 6.510 1.00 1.58 H new ATOM 0 HD21 LEU A 8 -6.252 0.100 5.949 1.00 1.89 H new ATOM 0 HD22 LEU A 8 -6.622 -0.840 7.414 1.00 1.89 H new ATOM 0 HD23 LEU A 8 -5.943 0.800 7.556 1.00 1.89 H new ATOM 147 N THR A 9 -3.044 -0.134 11.490 1.00 0.67 N ATOM 148 CA THR A 9 -2.761 -0.637 12.826 1.00 0.72 C ATOM 149 C THR A 9 -3.619 0.082 13.869 1.00 0.79 C ATOM 150 O THR A 9 -3.801 -0.407 14.985 1.00 0.93 O ATOM 151 CB THR A 9 -1.268 -0.494 13.184 1.00 0.67 C ATOM 152 OG1 THR A 9 -0.895 0.886 13.225 1.00 1.02 O ATOM 153 CG2 THR A 9 -0.393 -1.228 12.174 1.00 0.80 C ATOM 0 H THR A 9 -2.359 0.530 11.128 1.00 0.67 H new ATOM 0 HA THR A 9 -3.010 -1.698 12.831 1.00 0.72 H new ATOM 0 HB THR A 9 -1.116 -0.938 14.168 1.00 0.67 H new ATOM 0 HG1 THR A 9 0.055 0.961 13.455 1.00 1.02 H new ATOM 0 HG21 THR A 9 0.655 -1.112 12.449 1.00 0.80 H new ATOM 0 HG22 THR A 9 -0.652 -2.287 12.170 1.00 0.80 H new ATOM 0 HG23 THR A 9 -0.556 -0.811 11.180 1.00 0.80 H new ATOM 161 N GLY A 10 -4.151 1.245 13.501 1.00 0.77 N ATOM 162 CA GLY A 10 -4.996 1.989 14.416 1.00 0.89 C ATOM 163 C GLY A 10 -4.428 3.341 14.805 1.00 0.91 C ATOM 164 O GLY A 10 -5.166 4.214 15.261 1.00 1.31 O ATOM 0 H GLY A 10 -4.012 1.683 12.590 1.00 0.77 H new ATOM 0 HA2 GLY A 10 -5.974 2.134 13.958 1.00 0.89 H new ATOM 0 HA3 GLY A 10 -5.151 1.396 15.318 1.00 0.89 H new ATOM 168 N LYS A 11 -3.124 3.517 14.632 1.00 0.91 N ATOM 169 CA LYS A 11 -2.468 4.776 14.980 1.00 0.92 C ATOM 170 C LYS A 11 -2.961 5.917 14.087 1.00 0.82 C ATOM 171 O LYS A 11 -3.028 5.782 12.863 1.00 0.78 O ATOM 172 CB LYS A 11 -0.947 4.628 14.850 1.00 0.92 C ATOM 173 CG LYS A 11 -0.147 5.683 15.604 1.00 1.03 C ATOM 174 CD LYS A 11 -0.222 5.467 17.107 1.00 1.32 C ATOM 175 CE LYS A 11 0.891 6.200 17.844 1.00 1.41 C ATOM 176 NZ LYS A 11 0.894 7.662 17.564 1.00 1.51 N ATOM 0 H LYS A 11 -2.498 2.806 14.253 1.00 0.91 H new ATOM 0 HA LYS A 11 -2.720 5.018 16.013 1.00 0.92 H new ATOM 0 HB2 LYS A 11 -0.658 3.642 15.213 1.00 0.92 H new ATOM 0 HB3 LYS A 11 -0.679 4.671 13.794 1.00 0.92 H new ATOM 0 HG2 LYS A 11 0.894 5.652 15.282 1.00 1.03 H new ATOM 0 HG3 LYS A 11 -0.527 6.675 15.358 1.00 1.03 H new ATOM 0 HD2 LYS A 11 -1.189 5.811 17.475 1.00 1.32 H new ATOM 0 HD3 LYS A 11 -0.160 4.401 17.324 1.00 1.32 H new ATOM 0 HE2 LYS A 11 0.780 6.039 18.916 1.00 1.41 H new ATOM 0 HE3 LYS A 11 1.853 5.776 17.556 1.00 1.41 H new ATOM 0 HZ1 LYS A 11 1.185 8.179 18.418 1.00 1.51 H new ATOM 0 HZ2 LYS A 11 1.560 7.866 16.792 1.00 1.51 H new ATOM 0 HZ3 LYS A 11 -0.061 7.964 17.285 1.00 1.51 H new ATOM 190 N THR A 12 -3.321 7.029 14.710 1.00 0.80 N ATOM 191 CA THR A 12 -3.794 8.198 13.984 1.00 0.74 C ATOM 192 C THR A 12 -2.878 9.388 14.257 1.00 0.75 C ATOM 193 O THR A 12 -2.478 9.621 15.400 1.00 0.79 O ATOM 194 CB THR A 12 -5.242 8.555 14.382 1.00 0.70 C ATOM 195 OG1 THR A 12 -6.081 7.396 14.268 1.00 0.74 O ATOM 196 CG2 THR A 12 -5.791 9.671 13.504 1.00 0.70 C ATOM 0 H THR A 12 -3.294 7.146 15.723 1.00 0.80 H new ATOM 0 HA THR A 12 -3.779 7.962 12.920 1.00 0.74 H new ATOM 0 HB THR A 12 -5.234 8.901 15.416 1.00 0.70 H new ATOM 0 HG1 THR A 12 -6.998 7.629 14.524 1.00 0.74 H new ATOM 0 HG21 THR A 12 -6.812 9.902 13.806 1.00 0.70 H new ATOM 0 HG22 THR A 12 -5.170 10.560 13.614 1.00 0.70 H new ATOM 0 HG23 THR A 12 -5.785 9.351 12.462 1.00 0.70 H new ATOM 204 N ILE A 13 -2.547 10.136 13.215 1.00 0.77 N ATOM 205 CA ILE A 13 -1.670 11.291 13.350 1.00 0.85 C ATOM 206 C ILE A 13 -2.211 12.476 12.563 1.00 0.75 C ATOM 207 O ILE A 13 -2.957 12.304 11.594 1.00 0.68 O ATOM 208 CB ILE A 13 -0.233 10.978 12.879 1.00 1.03 C ATOM 209 CG1 ILE A 13 -0.264 10.169 11.578 1.00 1.10 C ATOM 210 CG2 ILE A 13 0.534 10.235 13.965 1.00 1.31 C ATOM 211 CD1 ILE A 13 1.093 9.670 11.128 1.00 1.24 C ATOM 0 H ILE A 13 -2.873 9.964 12.264 1.00 0.77 H new ATOM 0 HA ILE A 13 -1.639 11.543 14.410 1.00 0.85 H new ATOM 0 HB ILE A 13 0.284 11.918 12.684 1.00 1.03 H new ATOM 0 HG12 ILE A 13 -0.928 9.315 11.710 1.00 1.10 H new ATOM 0 HG13 ILE A 13 -0.692 10.787 10.789 1.00 1.10 H new ATOM 0 HG21 ILE A 13 1.545 10.022 13.616 1.00 1.31 H new ATOM 0 HG22 ILE A 13 0.582 10.851 14.863 1.00 1.31 H new ATOM 0 HG23 ILE A 13 0.025 9.299 14.194 1.00 1.31 H new ATOM 0 HD11 ILE A 13 0.985 9.107 10.201 1.00 1.24 H new ATOM 0 HD12 ILE A 13 1.756 10.519 10.962 1.00 1.24 H new ATOM 0 HD13 ILE A 13 1.516 9.024 11.897 1.00 1.24 H new ATOM 223 N THR A 14 -1.838 13.673 12.987 1.00 0.80 N ATOM 224 CA THR A 14 -2.281 14.896 12.335 1.00 0.79 C ATOM 225 C THR A 14 -1.097 15.819 12.078 1.00 0.78 C ATOM 226 O THR A 14 -0.294 16.068 12.978 1.00 0.84 O ATOM 227 CB THR A 14 -3.328 15.633 13.193 1.00 0.91 C ATOM 228 OG1 THR A 14 -3.045 15.438 14.585 1.00 1.31 O ATOM 229 CG2 THR A 14 -4.734 15.137 12.890 1.00 1.07 C ATOM 0 H THR A 14 -1.224 13.824 13.787 1.00 0.80 H new ATOM 0 HA THR A 14 -2.738 14.619 11.385 1.00 0.79 H new ATOM 0 HB THR A 14 -3.274 16.694 12.950 1.00 0.91 H new ATOM 0 HG1 THR A 14 -3.713 15.911 15.124 1.00 1.31 H new ATOM 0 HG21 THR A 14 -5.451 15.675 13.510 1.00 1.07 H new ATOM 0 HG22 THR A 14 -4.962 15.310 11.838 1.00 1.07 H new ATOM 0 HG23 THR A 14 -4.798 14.070 13.104 1.00 1.07 H new ATOM 237 N LEU A 15 -0.979 16.310 10.851 1.00 0.73 N ATOM 238 CA LEU A 15 0.118 17.198 10.492 1.00 0.75 C ATOM 239 C LEU A 15 -0.392 18.448 9.788 1.00 0.77 C ATOM 240 O LEU A 15 -1.442 18.426 9.147 1.00 0.77 O ATOM 241 CB LEU A 15 1.107 16.479 9.572 1.00 0.73 C ATOM 242 CG LEU A 15 1.657 15.155 10.100 1.00 0.73 C ATOM 243 CD1 LEU A 15 2.257 14.352 8.960 1.00 0.78 C ATOM 244 CD2 LEU A 15 2.695 15.397 11.184 1.00 0.91 C ATOM 0 H LEU A 15 -1.628 16.109 10.090 1.00 0.73 H new ATOM 0 HA LEU A 15 0.618 17.490 11.416 1.00 0.75 H new ATOM 0 HB2 LEU A 15 0.617 16.293 8.616 1.00 0.73 H new ATOM 0 HB3 LEU A 15 1.945 17.148 9.376 1.00 0.73 H new ATOM 0 HG LEU A 15 0.836 14.587 10.538 1.00 0.73 H new ATOM 0 HD11 LEU A 15 2.647 13.410 9.345 1.00 0.78 H new ATOM 0 HD12 LEU A 15 1.489 14.149 8.214 1.00 0.78 H new ATOM 0 HD13 LEU A 15 3.067 14.920 8.502 1.00 0.78 H new ATOM 0 HD21 LEU A 15 3.073 14.441 11.546 1.00 0.91 H new ATOM 0 HD22 LEU A 15 3.519 15.982 10.775 1.00 0.91 H new ATOM 0 HD23 LEU A 15 2.238 15.942 12.010 1.00 0.91 H new ATOM 256 N GLU A 16 0.358 19.531 9.921 1.00 0.80 N ATOM 257 CA GLU A 16 0.018 20.790 9.279 1.00 0.83 C ATOM 258 C GLU A 16 0.807 20.919 7.981 1.00 0.78 C ATOM 259 O GLU A 16 1.842 21.586 7.921 1.00 0.84 O ATOM 260 CB GLU A 16 0.316 21.966 10.210 1.00 0.95 C ATOM 261 CG GLU A 16 -0.902 22.464 10.973 1.00 1.01 C ATOM 262 CD GLU A 16 -1.869 23.227 10.091 1.00 1.06 C ATOM 263 OE1 GLU A 16 -1.439 23.752 9.042 1.00 1.08 O ATOM 264 OE2 GLU A 16 -3.065 23.317 10.446 1.00 1.17 O ATOM 0 H GLU A 16 1.215 19.562 10.474 1.00 0.80 H new ATOM 0 HA GLU A 16 -1.049 20.804 9.055 1.00 0.83 H new ATOM 0 HB2 GLU A 16 1.084 21.668 10.924 1.00 0.95 H new ATOM 0 HB3 GLU A 16 0.727 22.787 9.623 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -1.418 21.615 11.422 1.00 1.01 H new ATOM 0 HG3 GLU A 16 -0.576 23.107 11.790 1.00 1.01 H new ATOM 271 N VAL A 17 0.314 20.256 6.950 1.00 0.70 N ATOM 272 CA VAL A 17 0.961 20.253 5.646 1.00 0.68 C ATOM 273 C VAL A 17 0.533 21.444 4.802 1.00 0.72 C ATOM 274 O VAL A 17 -0.390 22.178 5.162 1.00 0.76 O ATOM 275 CB VAL A 17 0.639 18.959 4.875 1.00 0.60 C ATOM 276 CG1 VAL A 17 1.310 17.763 5.530 1.00 0.57 C ATOM 277 CG2 VAL A 17 -0.866 18.749 4.794 1.00 0.58 C ATOM 0 H VAL A 17 -0.544 19.705 6.991 1.00 0.70 H new ATOM 0 HA VAL A 17 2.034 20.316 5.829 1.00 0.68 H new ATOM 0 HB VAL A 17 1.029 19.057 3.862 1.00 0.60 H new ATOM 0 HG11 VAL A 17 1.070 16.859 4.970 1.00 0.57 H new ATOM 0 HG12 VAL A 17 2.390 17.910 5.536 1.00 0.57 H new ATOM 0 HG13 VAL A 17 0.952 17.661 6.554 1.00 0.57 H new ATOM 0 HG21 VAL A 17 -1.076 17.830 4.246 1.00 0.58 H new ATOM 0 HG22 VAL A 17 -1.278 18.673 5.801 1.00 0.58 H new ATOM 0 HG23 VAL A 17 -1.324 19.593 4.277 1.00 0.58 H new ATOM 287 N GLU A 18 1.202 21.619 3.675 1.00 0.73 N ATOM 288 CA GLU A 18 0.904 22.709 2.762 1.00 0.78 C ATOM 289 C GLU A 18 0.043 22.195 1.611 1.00 0.76 C ATOM 290 O GLU A 18 0.085 21.010 1.290 1.00 0.72 O ATOM 291 CB GLU A 18 2.205 23.311 2.229 1.00 0.86 C ATOM 292 CG GLU A 18 3.116 23.851 3.320 1.00 0.94 C ATOM 293 CD GLU A 18 4.479 24.244 2.799 1.00 1.06 C ATOM 294 OE1 GLU A 18 4.592 25.303 2.147 1.00 1.18 O ATOM 295 OE2 GLU A 18 5.449 23.497 3.042 1.00 1.25 O ATOM 0 H GLU A 18 1.963 21.013 3.368 1.00 0.73 H new ATOM 0 HA GLU A 18 0.353 23.486 3.293 1.00 0.78 H new ATOM 0 HB2 GLU A 18 2.742 22.551 1.662 1.00 0.86 H new ATOM 0 HB3 GLU A 18 1.966 24.117 1.535 1.00 0.86 H new ATOM 0 HG2 GLU A 18 2.645 24.717 3.785 1.00 0.94 H new ATOM 0 HG3 GLU A 18 3.232 23.096 4.097 1.00 0.94 H new ATOM 302 N PRO A 19 -0.754 23.068 0.975 1.00 0.80 N ATOM 303 CA PRO A 19 -1.620 22.673 -0.143 1.00 0.82 C ATOM 304 C PRO A 19 -0.833 22.047 -1.295 1.00 0.86 C ATOM 305 O PRO A 19 -1.295 21.104 -1.940 1.00 0.87 O ATOM 306 CB PRO A 19 -2.262 23.991 -0.585 1.00 0.87 C ATOM 307 CG PRO A 19 -2.156 24.889 0.597 1.00 0.91 C ATOM 308 CD PRO A 19 -0.886 24.501 1.295 1.00 0.88 C ATOM 0 HA PRO A 19 -2.343 21.913 0.153 1.00 0.82 H new ATOM 0 HB2 PRO A 19 -1.745 24.412 -1.447 1.00 0.87 H new ATOM 0 HB3 PRO A 19 -3.302 23.845 -0.877 1.00 0.87 H new ATOM 0 HG2 PRO A 19 -2.130 25.935 0.292 1.00 0.91 H new ATOM 0 HG3 PRO A 19 -3.016 24.770 1.256 1.00 0.91 H new ATOM 0 HD2 PRO A 19 -0.034 25.076 0.931 1.00 0.88 H new ATOM 0 HD3 PRO A 19 -0.949 24.670 2.370 1.00 0.88 H new ATOM 316 N SER A 20 0.357 22.572 -1.544 1.00 0.92 N ATOM 317 CA SER A 20 1.210 22.073 -2.613 1.00 1.00 C ATOM 318 C SER A 20 2.329 21.182 -2.068 1.00 0.92 C ATOM 319 O SER A 20 3.376 21.024 -2.703 1.00 0.94 O ATOM 320 CB SER A 20 1.801 23.260 -3.372 1.00 1.18 C ATOM 321 OG SER A 20 1.755 24.434 -2.574 1.00 1.24 O ATOM 0 H SER A 20 0.756 23.349 -1.017 1.00 0.92 H new ATOM 0 HA SER A 20 0.607 21.463 -3.286 1.00 1.00 H new ATOM 0 HB2 SER A 20 2.832 23.043 -3.651 1.00 1.18 H new ATOM 0 HB3 SER A 20 1.247 23.420 -4.297 1.00 1.18 H new ATOM 0 HG SER A 20 2.139 25.185 -3.074 1.00 1.24 H new ATOM 327 N ASP A 21 2.108 20.601 -0.894 1.00 0.85 N ATOM 328 CA ASP A 21 3.103 19.731 -0.269 1.00 0.80 C ATOM 329 C ASP A 21 3.210 18.406 -1.016 1.00 0.75 C ATOM 330 O ASP A 21 2.196 17.813 -1.397 1.00 0.73 O ATOM 331 CB ASP A 21 2.744 19.471 1.195 1.00 0.75 C ATOM 332 CG ASP A 21 3.950 19.516 2.112 1.00 0.65 C ATOM 333 OD1 ASP A 21 5.087 19.615 1.606 1.00 0.82 O ATOM 334 OD2 ASP A 21 3.759 19.467 3.346 1.00 0.69 O ATOM 0 H ASP A 21 1.250 20.715 -0.355 1.00 0.85 H new ATOM 0 HA ASP A 21 4.067 20.237 -0.314 1.00 0.80 H new ATOM 0 HB2 ASP A 21 2.016 20.213 1.523 1.00 0.75 H new ATOM 0 HB3 ASP A 21 2.265 18.495 1.279 1.00 0.75 H new ATOM 339 N THR A 22 4.438 17.960 -1.243 1.00 0.76 N ATOM 340 CA THR A 22 4.686 16.705 -1.938 1.00 0.74 C ATOM 341 C THR A 22 4.443 15.518 -1.014 1.00 0.67 C ATOM 342 O THR A 22 4.655 15.613 0.195 1.00 0.65 O ATOM 343 CB THR A 22 6.125 16.639 -2.481 1.00 0.80 C ATOM 344 OG1 THR A 22 6.988 17.461 -1.685 1.00 0.85 O ATOM 345 CG2 THR A 22 6.180 17.088 -3.932 1.00 1.02 C ATOM 0 H THR A 22 5.283 18.453 -0.954 1.00 0.76 H new ATOM 0 HA THR A 22 3.992 16.659 -2.777 1.00 0.74 H new ATOM 0 HB THR A 22 6.462 15.604 -2.428 1.00 0.80 H new ATOM 0 HG1 THR A 22 7.797 16.959 -1.455 1.00 0.85 H new ATOM 0 HG21 THR A 22 7.207 17.032 -4.291 1.00 1.02 H new ATOM 0 HG22 THR A 22 5.548 16.439 -4.538 1.00 1.02 H new ATOM 0 HG23 THR A 22 5.824 18.115 -4.009 1.00 1.02 H new ATOM 353 N ILE A 23 4.006 14.405 -1.590 1.00 0.65 N ATOM 354 CA ILE A 23 3.727 13.198 -0.822 1.00 0.59 C ATOM 355 C ILE A 23 4.967 12.736 -0.055 1.00 0.58 C ATOM 356 O ILE A 23 4.869 12.307 1.096 1.00 0.54 O ATOM 357 CB ILE A 23 3.214 12.061 -1.737 1.00 0.62 C ATOM 358 CG1 ILE A 23 1.871 12.447 -2.371 1.00 0.67 C ATOM 359 CG2 ILE A 23 3.081 10.753 -0.968 1.00 0.55 C ATOM 360 CD1 ILE A 23 0.796 12.807 -1.365 1.00 0.63 C ATOM 0 H ILE A 23 3.836 14.313 -2.592 1.00 0.65 H new ATOM 0 HA ILE A 23 2.945 13.442 -0.103 1.00 0.59 H new ATOM 0 HB ILE A 23 3.947 11.913 -2.530 1.00 0.62 H new ATOM 0 HG12 ILE A 23 2.026 13.293 -3.040 1.00 0.67 H new ATOM 0 HG13 ILE A 23 1.518 11.617 -2.983 1.00 0.67 H new ATOM 0 HG21 ILE A 23 2.719 9.973 -1.637 1.00 0.55 H new ATOM 0 HG22 ILE A 23 4.053 10.465 -0.568 1.00 0.55 H new ATOM 0 HG23 ILE A 23 2.376 10.884 -0.147 1.00 0.55 H new ATOM 0 HD11 ILE A 23 -0.122 13.068 -1.891 1.00 0.63 H new ATOM 0 HD12 ILE A 23 0.610 11.955 -0.711 1.00 0.63 H new ATOM 0 HD13 ILE A 23 1.126 13.657 -0.768 1.00 0.63 H new ATOM 372 N GLU A 24 6.135 12.850 -0.682 1.00 0.64 N ATOM 373 CA GLU A 24 7.379 12.449 -0.039 1.00 0.67 C ATOM 374 C GLU A 24 7.683 13.355 1.158 1.00 0.65 C ATOM 375 O GLU A 24 8.288 12.919 2.140 1.00 0.65 O ATOM 376 CB GLU A 24 8.540 12.450 -1.049 1.00 0.78 C ATOM 377 CG GLU A 24 9.592 13.525 -0.810 1.00 0.94 C ATOM 378 CD GLU A 24 9.493 14.666 -1.795 1.00 1.68 C ATOM 379 OE1 GLU A 24 9.907 14.484 -2.957 1.00 2.16 O ATOM 380 OE2 GLU A 24 9.000 15.752 -1.416 1.00 2.11 O ATOM 0 H GLU A 24 6.244 13.214 -1.628 1.00 0.64 H new ATOM 0 HA GLU A 24 7.263 11.431 0.332 1.00 0.67 H new ATOM 0 HB2 GLU A 24 9.025 11.474 -1.025 1.00 0.78 H new ATOM 0 HB3 GLU A 24 8.131 12.578 -2.051 1.00 0.78 H new ATOM 0 HG2 GLU A 24 9.485 13.914 0.203 1.00 0.94 H new ATOM 0 HG3 GLU A 24 10.584 13.078 -0.876 1.00 0.94 H new ATOM 387 N ASN A 25 7.240 14.608 1.087 1.00 0.66 N ATOM 388 CA ASN A 25 7.466 15.552 2.174 1.00 0.68 C ATOM 389 C ASN A 25 6.493 15.275 3.309 1.00 0.62 C ATOM 390 O ASN A 25 6.804 15.496 4.479 1.00 0.65 O ATOM 391 CB ASN A 25 7.316 16.996 1.699 1.00 0.72 C ATOM 392 CG ASN A 25 7.964 17.978 2.660 1.00 0.79 C ATOM 393 OD1 ASN A 25 8.983 17.678 3.279 1.00 0.86 O ATOM 394 ND2 ASN A 25 7.375 19.150 2.801 1.00 0.83 N ATOM 0 H ASN A 25 6.726 14.990 0.293 1.00 0.66 H new ATOM 0 HA ASN A 25 8.488 15.420 2.529 1.00 0.68 H new ATOM 0 HB2 ASN A 25 7.767 17.102 0.712 1.00 0.72 H new ATOM 0 HB3 ASN A 25 6.258 17.236 1.594 1.00 0.72 H new ATOM 0 HD21 ASN A 25 7.764 19.843 3.441 1.00 0.83 H new ATOM 0 HD22 ASN A 25 6.530 19.363 2.270 1.00 0.83 H new ATOM 401 N VAL A 26 5.305 14.794 2.956 1.00 0.55 N ATOM 402 CA VAL A 26 4.303 14.444 3.950 1.00 0.51 C ATOM 403 C VAL A 26 4.842 13.288 4.782 1.00 0.50 C ATOM 404 O VAL A 26 4.676 13.240 6.003 1.00 0.51 O ATOM 405 CB VAL A 26 2.962 14.040 3.297 1.00 0.49 C ATOM 406 CG1 VAL A 26 1.939 13.637 4.350 1.00 0.48 C ATOM 407 CG2 VAL A 26 2.423 15.175 2.440 1.00 0.50 C ATOM 0 H VAL A 26 5.015 14.639 1.990 1.00 0.55 H new ATOM 0 HA VAL A 26 4.107 15.315 4.575 1.00 0.51 H new ATOM 0 HB VAL A 26 3.146 13.177 2.657 1.00 0.49 H new ATOM 0 HG11 VAL A 26 1.005 13.358 3.862 1.00 0.48 H new ATOM 0 HG12 VAL A 26 2.318 12.789 4.920 1.00 0.48 H new ATOM 0 HG13 VAL A 26 1.760 14.475 5.023 1.00 0.48 H new ATOM 0 HG21 VAL A 26 1.478 14.873 1.988 1.00 0.50 H new ATOM 0 HG22 VAL A 26 2.262 16.056 3.062 1.00 0.50 H new ATOM 0 HG23 VAL A 26 3.142 15.411 1.655 1.00 0.50 H new ATOM 417 N LYS A 27 5.523 12.377 4.093 1.00 0.50 N ATOM 418 CA LYS A 27 6.137 11.227 4.732 1.00 0.50 C ATOM 419 C LYS A 27 7.275 11.689 5.630 1.00 0.55 C ATOM 420 O LYS A 27 7.453 11.178 6.735 1.00 0.55 O ATOM 421 CB LYS A 27 6.676 10.259 3.683 1.00 0.52 C ATOM 422 CG LYS A 27 5.600 9.545 2.888 1.00 0.52 C ATOM 423 CD LYS A 27 6.219 8.561 1.915 1.00 0.69 C ATOM 424 CE LYS A 27 5.200 7.569 1.389 1.00 1.00 C ATOM 425 NZ LYS A 27 5.843 6.511 0.573 1.00 1.16 N ATOM 0 H LYS A 27 5.662 12.418 3.083 1.00 0.50 H new ATOM 0 HA LYS A 27 5.383 10.714 5.329 1.00 0.50 H new ATOM 0 HB2 LYS A 27 7.318 10.808 2.994 1.00 0.52 H new ATOM 0 HB3 LYS A 27 7.301 9.515 4.177 1.00 0.52 H new ATOM 0 HG2 LYS A 27 4.928 9.020 3.566 1.00 0.52 H new ATOM 0 HG3 LYS A 27 4.999 10.273 2.344 1.00 0.52 H new ATOM 0 HD2 LYS A 27 6.661 9.105 1.080 1.00 0.69 H new ATOM 0 HD3 LYS A 27 7.028 8.023 2.408 1.00 0.69 H new ATOM 0 HE2 LYS A 27 4.669 7.113 2.225 1.00 1.00 H new ATOM 0 HE3 LYS A 27 4.457 8.093 0.787 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 5.304 5.626 0.665 1.00 1.16 H new ATOM 0 HZ2 LYS A 27 5.860 6.804 -0.425 1.00 1.16 H new ATOM 0 HZ3 LYS A 27 6.817 6.360 0.906 1.00 1.16 H new ATOM 439 N ALA A 28 8.038 12.660 5.132 1.00 0.62 N ATOM 440 CA ALA A 28 9.160 13.228 5.872 1.00 0.69 C ATOM 441 C ALA A 28 8.699 13.766 7.219 1.00 0.71 C ATOM 442 O ALA A 28 9.390 13.623 8.226 1.00 0.76 O ATOM 443 CB ALA A 28 9.827 14.329 5.063 1.00 0.76 C ATOM 0 H ALA A 28 7.896 13.072 4.210 1.00 0.62 H new ATOM 0 HA ALA A 28 9.888 12.436 6.049 1.00 0.69 H new ATOM 0 HB1 ALA A 28 10.662 14.742 5.629 1.00 0.76 H new ATOM 0 HB2 ALA A 28 10.194 13.918 4.123 1.00 0.76 H new ATOM 0 HB3 ALA A 28 9.104 15.118 4.856 1.00 0.76 H new ATOM 449 N LYS A 29 7.524 14.389 7.228 1.00 0.69 N ATOM 450 CA LYS A 29 6.955 14.933 8.453 1.00 0.73 C ATOM 451 C LYS A 29 6.723 13.813 9.461 1.00 0.72 C ATOM 452 O LYS A 29 7.184 13.884 10.600 1.00 0.81 O ATOM 453 CB LYS A 29 5.649 15.666 8.153 1.00 0.71 C ATOM 454 CG LYS A 29 5.850 16.986 7.428 1.00 0.75 C ATOM 455 CD LYS A 29 4.525 17.654 7.104 1.00 0.69 C ATOM 456 CE LYS A 29 4.724 19.092 6.649 1.00 0.68 C ATOM 457 NZ LYS A 29 5.416 19.174 5.335 1.00 0.89 N ATOM 0 H LYS A 29 6.948 14.529 6.398 1.00 0.69 H new ATOM 0 HA LYS A 29 7.657 15.648 8.882 1.00 0.73 H new ATOM 0 HB2 LYS A 29 5.010 15.022 7.549 1.00 0.71 H new ATOM 0 HB3 LYS A 29 5.122 15.851 9.089 1.00 0.71 H new ATOM 0 HG2 LYS A 29 6.453 17.652 8.045 1.00 0.75 H new ATOM 0 HG3 LYS A 29 6.406 16.815 6.507 1.00 0.75 H new ATOM 0 HD2 LYS A 29 4.014 17.091 6.323 1.00 0.69 H new ATOM 0 HD3 LYS A 29 3.882 17.635 7.984 1.00 0.69 H new ATOM 0 HE2 LYS A 29 3.755 19.587 6.579 1.00 0.68 H new ATOM 0 HE3 LYS A 29 5.304 19.631 7.398 1.00 0.68 H new ATOM 0 HZ1 LYS A 29 6.251 19.788 5.420 1.00 0.89 H new ATOM 0 HZ2 LYS A 29 5.715 18.223 5.040 1.00 0.89 H new ATOM 0 HZ3 LYS A 29 4.767 19.568 4.625 1.00 0.89 H new ATOM 471 N ILE A 30 5.990 12.783 9.042 1.00 0.64 N ATOM 472 CA ILE A 30 5.733 11.629 9.895 1.00 0.64 C ATOM 473 C ILE A 30 7.056 11.030 10.363 1.00 0.72 C ATOM 474 O ILE A 30 7.220 10.691 11.533 1.00 0.80 O ATOM 475 CB ILE A 30 4.913 10.551 9.152 1.00 0.54 C ATOM 476 CG1 ILE A 30 3.604 11.149 8.627 1.00 0.52 C ATOM 477 CG2 ILE A 30 4.632 9.365 10.066 1.00 0.58 C ATOM 478 CD1 ILE A 30 2.800 10.199 7.766 1.00 0.46 C ATOM 0 H ILE A 30 5.565 12.726 8.117 1.00 0.64 H new ATOM 0 HA ILE A 30 5.153 11.967 10.754 1.00 0.64 H new ATOM 0 HB ILE A 30 5.497 10.195 8.303 1.00 0.54 H new ATOM 0 HG12 ILE A 30 2.993 11.462 9.474 1.00 0.52 H new ATOM 0 HG13 ILE A 30 3.831 12.045 8.049 1.00 0.52 H new ATOM 0 HG21 ILE A 30 4.053 8.617 9.524 1.00 0.58 H new ATOM 0 HG22 ILE A 30 5.575 8.927 10.394 1.00 0.58 H new ATOM 0 HG23 ILE A 30 4.066 9.701 10.935 1.00 0.58 H new ATOM 0 HD11 ILE A 30 1.888 10.694 7.432 1.00 0.46 H new ATOM 0 HD12 ILE A 30 3.391 9.905 6.899 1.00 0.46 H new ATOM 0 HD13 ILE A 30 2.541 9.313 8.346 1.00 0.46 H new ATOM 490 N GLN A 31 7.985 10.896 9.425 1.00 0.71 N ATOM 491 CA GLN A 31 9.317 10.370 9.708 1.00 0.82 C ATOM 492 C GLN A 31 10.010 11.175 10.804 1.00 0.93 C ATOM 493 O GLN A 31 10.615 10.614 11.711 1.00 1.01 O ATOM 494 CB GLN A 31 10.166 10.391 8.438 1.00 0.84 C ATOM 495 CG GLN A 31 11.600 9.941 8.661 1.00 0.97 C ATOM 496 CD GLN A 31 12.466 10.137 7.435 1.00 1.04 C ATOM 497 OE1 GLN A 31 12.262 11.068 6.658 1.00 1.01 O ATOM 498 NE2 GLN A 31 13.441 9.265 7.252 1.00 1.18 N ATOM 0 H GLN A 31 7.838 11.148 8.448 1.00 0.71 H new ATOM 0 HA GLN A 31 9.206 9.344 10.058 1.00 0.82 H new ATOM 0 HB2 GLN A 31 9.703 9.747 7.690 1.00 0.84 H new ATOM 0 HB3 GLN A 31 10.170 11.402 8.030 1.00 0.84 H new ATOM 0 HG2 GLN A 31 12.026 10.497 9.496 1.00 0.97 H new ATOM 0 HG3 GLN A 31 11.607 8.888 8.943 1.00 0.97 H new ATOM 0 HE21 GLN A 31 13.578 8.506 7.919 1.00 1.18 H new ATOM 0 HE22 GLN A 31 14.057 9.351 6.443 1.00 1.18 H new ATOM 507 N ASP A 32 9.925 12.492 10.710 1.00 0.95 N ATOM 508 CA ASP A 32 10.546 13.371 11.695 1.00 1.08 C ATOM 509 C ASP A 32 9.821 13.297 13.038 1.00 1.10 C ATOM 510 O ASP A 32 10.426 13.497 14.093 1.00 1.19 O ATOM 511 CB ASP A 32 10.553 14.814 11.180 1.00 1.15 C ATOM 512 CG ASP A 32 11.392 15.737 12.041 1.00 1.10 C ATOM 513 OD1 ASP A 32 12.584 15.430 12.267 1.00 1.51 O ATOM 514 OD2 ASP A 32 10.866 16.777 12.493 1.00 1.24 O ATOM 0 H ASP A 32 9.432 12.979 9.962 1.00 0.95 H new ATOM 0 HA ASP A 32 11.573 13.038 11.847 1.00 1.08 H new ATOM 0 HB2 ASP A 32 10.934 14.829 10.159 1.00 1.15 H new ATOM 0 HB3 ASP A 32 9.530 15.188 11.144 1.00 1.15 H new ATOM 519 N LYS A 33 8.526 13.006 12.998 1.00 1.04 N ATOM 520 CA LYS A 33 7.723 12.916 14.213 1.00 1.08 C ATOM 521 C LYS A 33 7.714 11.497 14.792 1.00 1.05 C ATOM 522 O LYS A 33 8.430 11.206 15.750 1.00 1.11 O ATOM 523 CB LYS A 33 6.292 13.381 13.927 1.00 1.05 C ATOM 524 CG LYS A 33 5.474 13.667 15.175 1.00 1.11 C ATOM 525 CD LYS A 33 4.158 14.342 14.823 1.00 1.21 C ATOM 526 CE LYS A 33 3.458 14.879 16.062 1.00 1.50 C ATOM 527 NZ LYS A 33 2.362 15.823 15.716 1.00 1.79 N ATOM 0 H LYS A 33 8.009 12.828 12.137 1.00 1.04 H new ATOM 0 HA LYS A 33 8.177 13.568 14.959 1.00 1.08 H new ATOM 0 HB2 LYS A 33 6.329 14.282 13.315 1.00 1.05 H new ATOM 0 HB3 LYS A 33 5.783 12.617 13.339 1.00 1.05 H new ATOM 0 HG2 LYS A 33 5.278 12.736 15.707 1.00 1.11 H new ATOM 0 HG3 LYS A 33 6.045 14.305 15.850 1.00 1.11 H new ATOM 0 HD2 LYS A 33 4.342 15.159 14.125 1.00 1.21 H new ATOM 0 HD3 LYS A 33 3.507 13.630 14.316 1.00 1.21 H new ATOM 0 HE2 LYS A 33 3.052 14.048 16.638 1.00 1.50 H new ATOM 0 HE3 LYS A 33 4.184 15.384 16.699 1.00 1.50 H new ATOM 0 HZ1 LYS A 33 1.911 16.166 16.588 1.00 1.79 H new ATOM 0 HZ2 LYS A 33 2.752 16.630 15.188 1.00 1.79 H new ATOM 0 HZ3 LYS A 33 1.655 15.335 15.130 1.00 1.79 H new ATOM 541 N GLU A 34 6.910 10.616 14.201 1.00 0.98 N ATOM 542 CA GLU A 34 6.782 9.232 14.662 1.00 0.97 C ATOM 543 C GLU A 34 8.039 8.404 14.391 1.00 0.95 C ATOM 544 O GLU A 34 8.162 7.282 14.878 1.00 0.97 O ATOM 545 CB GLU A 34 5.582 8.573 13.982 1.00 0.89 C ATOM 546 CG GLU A 34 4.262 9.270 14.265 1.00 0.94 C ATOM 547 CD GLU A 34 3.746 8.990 15.661 1.00 1.18 C ATOM 548 OE1 GLU A 34 4.285 9.568 16.630 1.00 1.56 O ATOM 549 OE2 GLU A 34 2.805 8.182 15.801 1.00 1.18 O ATOM 0 H GLU A 34 6.330 10.838 13.392 1.00 0.98 H new ATOM 0 HA GLU A 34 6.639 9.264 15.742 1.00 0.97 H new ATOM 0 HB2 GLU A 34 5.750 8.555 12.905 1.00 0.89 H new ATOM 0 HB3 GLU A 34 5.513 7.536 14.311 1.00 0.89 H new ATOM 0 HG2 GLU A 34 4.388 10.345 14.136 1.00 0.94 H new ATOM 0 HG3 GLU A 34 3.520 8.946 13.535 1.00 0.94 H new ATOM 556 N GLY A 35 8.960 8.954 13.617 1.00 0.94 N ATOM 557 CA GLY A 35 10.187 8.243 13.311 1.00 0.94 C ATOM 558 C GLY A 35 9.996 7.105 12.328 1.00 0.88 C ATOM 559 O GLY A 35 10.730 6.119 12.367 1.00 0.92 O ATOM 0 H GLY A 35 8.882 9.879 13.194 1.00 0.94 H new ATOM 0 HA2 GLY A 35 10.914 8.946 12.904 1.00 0.94 H new ATOM 0 HA3 GLY A 35 10.609 7.848 14.235 1.00 0.94 H new ATOM 563 N ILE A 36 8.999 7.222 11.462 1.00 0.79 N ATOM 564 CA ILE A 36 8.739 6.197 10.461 1.00 0.73 C ATOM 565 C ILE A 36 9.239 6.654 9.092 1.00 0.69 C ATOM 566 O ILE A 36 8.691 7.589 8.515 1.00 0.63 O ATOM 567 CB ILE A 36 7.233 5.861 10.376 1.00 0.66 C ATOM 568 CG1 ILE A 36 6.716 5.407 11.745 1.00 0.77 C ATOM 569 CG2 ILE A 36 6.986 4.782 9.327 1.00 0.63 C ATOM 570 CD1 ILE A 36 5.210 5.266 11.813 1.00 0.76 C ATOM 0 H ILE A 36 8.358 8.015 11.432 1.00 0.79 H new ATOM 0 HA ILE A 36 9.275 5.298 10.763 1.00 0.73 H new ATOM 0 HB ILE A 36 6.691 6.759 10.079 1.00 0.66 H new ATOM 0 HG12 ILE A 36 7.173 4.450 11.996 1.00 0.77 H new ATOM 0 HG13 ILE A 36 7.039 6.123 12.501 1.00 0.77 H new ATOM 0 HG21 ILE A 36 5.920 4.557 9.280 1.00 0.63 H new ATOM 0 HG22 ILE A 36 7.325 5.136 8.354 1.00 0.63 H new ATOM 0 HG23 ILE A 36 7.535 3.880 9.596 1.00 0.63 H new ATOM 0 HD11 ILE A 36 4.920 4.942 12.812 1.00 0.76 H new ATOM 0 HD12 ILE A 36 4.744 6.227 11.594 1.00 0.76 H new ATOM 0 HD13 ILE A 36 4.880 4.528 11.082 1.00 0.76 H new ATOM 582 N PRO A 37 10.294 6.012 8.564 1.00 0.76 N ATOM 583 CA PRO A 37 10.866 6.366 7.258 1.00 0.77 C ATOM 584 C PRO A 37 9.845 6.279 6.122 1.00 0.66 C ATOM 585 O PRO A 37 8.922 5.465 6.173 1.00 0.58 O ATOM 586 CB PRO A 37 11.968 5.322 7.050 1.00 0.88 C ATOM 587 CG PRO A 37 12.296 4.834 8.415 1.00 0.97 C ATOM 588 CD PRO A 37 11.017 4.894 9.194 1.00 0.88 C ATOM 0 HA PRO A 37 11.221 7.396 7.247 1.00 0.77 H new ATOM 0 HB2 PRO A 37 11.625 4.508 6.411 1.00 0.88 H new ATOM 0 HB3 PRO A 37 12.841 5.760 6.567 1.00 0.88 H new ATOM 0 HG2 PRO A 37 12.686 3.816 8.382 1.00 0.97 H new ATOM 0 HG3 PRO A 37 13.064 5.455 8.877 1.00 0.97 H new ATOM 0 HD2 PRO A 37 10.458 3.961 9.123 1.00 0.88 H new ATOM 0 HD3 PRO A 37 11.198 5.077 10.253 1.00 0.88 H new ATOM 596 N PRO A 38 10.003 7.116 5.076 1.00 0.70 N ATOM 597 CA PRO A 38 9.093 7.135 3.921 1.00 0.66 C ATOM 598 C PRO A 38 8.999 5.772 3.241 1.00 0.65 C ATOM 599 O PRO A 38 7.965 5.417 2.667 1.00 0.62 O ATOM 600 CB PRO A 38 9.731 8.157 2.973 1.00 0.81 C ATOM 601 CG PRO A 38 10.570 9.017 3.848 1.00 0.91 C ATOM 602 CD PRO A 38 11.078 8.118 4.937 1.00 0.86 C ATOM 0 HA PRO A 38 8.073 7.386 4.213 1.00 0.66 H new ATOM 0 HB2 PRO A 38 10.332 7.665 2.208 1.00 0.81 H new ATOM 0 HB3 PRO A 38 8.972 8.742 2.454 1.00 0.81 H new ATOM 0 HG2 PRO A 38 11.395 9.458 3.288 1.00 0.91 H new ATOM 0 HG3 PRO A 38 9.988 9.841 4.261 1.00 0.91 H new ATOM 0 HD2 PRO A 38 12.027 7.655 4.667 1.00 0.86 H new ATOM 0 HD3 PRO A 38 11.242 8.664 5.866 1.00 0.86 H new ATOM 610 N ASP A 39 10.087 5.015 3.327 1.00 0.73 N ATOM 611 CA ASP A 39 10.167 3.683 2.736 1.00 0.79 C ATOM 612 C ASP A 39 9.182 2.729 3.399 1.00 0.74 C ATOM 613 O ASP A 39 8.645 1.824 2.760 1.00 0.81 O ATOM 614 CB ASP A 39 11.581 3.127 2.888 1.00 0.89 C ATOM 615 CG ASP A 39 11.771 1.814 2.155 1.00 1.84 C ATOM 616 OD1 ASP A 39 12.023 1.849 0.931 1.00 2.29 O ATOM 617 OD2 ASP A 39 11.675 0.746 2.795 1.00 2.66 O ATOM 0 H ASP A 39 10.938 5.306 3.808 1.00 0.73 H new ATOM 0 HA ASP A 39 9.915 3.770 1.679 1.00 0.79 H new ATOM 0 HB2 ASP A 39 12.297 3.857 2.511 1.00 0.89 H new ATOM 0 HB3 ASP A 39 11.800 2.983 3.946 1.00 0.89 H new ATOM 622 N GLN A 40 8.943 2.949 4.683 1.00 0.67 N ATOM 623 CA GLN A 40 8.033 2.112 5.449 1.00 0.70 C ATOM 624 C GLN A 40 6.599 2.611 5.348 1.00 0.60 C ATOM 625 O GLN A 40 5.669 1.908 5.734 1.00 0.67 O ATOM 626 CB GLN A 40 8.449 2.084 6.921 1.00 0.79 C ATOM 627 CG GLN A 40 9.312 0.893 7.287 1.00 0.95 C ATOM 628 CD GLN A 40 10.671 0.926 6.621 1.00 1.48 C ATOM 629 OE1 GLN A 40 11.298 1.978 6.503 1.00 2.10 O ATOM 630 NE2 GLN A 40 11.122 -0.226 6.161 1.00 2.01 N ATOM 0 H GLN A 40 9.370 3.705 5.219 1.00 0.67 H new ATOM 0 HA GLN A 40 8.084 1.107 5.030 1.00 0.70 H new ATOM 0 HB2 GLN A 40 8.992 3.000 7.154 1.00 0.79 H new ATOM 0 HB3 GLN A 40 7.554 2.078 7.543 1.00 0.79 H new ATOM 0 HG2 GLN A 40 9.443 0.864 8.369 1.00 0.95 H new ATOM 0 HG3 GLN A 40 8.796 -0.024 7.004 1.00 0.95 H new ATOM 0 HE21 GLN A 40 10.569 -1.075 6.281 1.00 2.01 H new ATOM 0 HE22 GLN A 40 12.024 -0.268 5.686 1.00 2.01 H new ATOM 639 N GLN A 41 6.421 3.815 4.824 1.00 0.51 N ATOM 640 CA GLN A 41 5.097 4.405 4.709 1.00 0.44 C ATOM 641 C GLN A 41 4.438 4.088 3.374 1.00 0.45 C ATOM 642 O GLN A 41 5.016 4.306 2.307 1.00 0.51 O ATOM 643 CB GLN A 41 5.177 5.921 4.869 1.00 0.40 C ATOM 644 CG GLN A 41 5.702 6.381 6.215 1.00 0.41 C ATOM 645 CD GLN A 41 5.657 7.888 6.348 1.00 0.40 C ATOM 646 OE1 GLN A 41 4.758 8.536 5.823 1.00 0.37 O ATOM 647 NE2 GLN A 41 6.632 8.457 7.031 1.00 0.46 N ATOM 0 H GLN A 41 7.177 4.402 4.472 1.00 0.51 H new ATOM 0 HA GLN A 41 4.490 3.971 5.503 1.00 0.44 H new ATOM 0 HB2 GLN A 41 5.819 6.324 4.085 1.00 0.40 H new ATOM 0 HB3 GLN A 41 4.184 6.343 4.716 1.00 0.40 H new ATOM 0 HG2 GLN A 41 5.111 5.928 7.011 1.00 0.41 H new ATOM 0 HG3 GLN A 41 6.728 6.035 6.343 1.00 0.41 H new ATOM 0 HE21 GLN A 41 7.362 7.883 7.453 1.00 0.46 H new ATOM 0 HE22 GLN A 41 6.656 9.471 7.137 1.00 0.46 H new ATOM 656 N ARG A 42 3.232 3.560 3.446 1.00 0.46 N ATOM 657 CA ARG A 42 2.448 3.250 2.263 1.00 0.52 C ATOM 658 C ARG A 42 1.151 4.046 2.318 1.00 0.50 C ATOM 659 O ARG A 42 0.214 3.669 3.019 1.00 0.53 O ATOM 660 CB ARG A 42 2.153 1.750 2.179 1.00 0.63 C ATOM 661 CG ARG A 42 3.365 0.907 1.826 1.00 0.69 C ATOM 662 CD ARG A 42 3.892 1.237 0.438 1.00 0.75 C ATOM 663 NE ARG A 42 5.126 0.518 0.137 1.00 0.87 N ATOM 664 CZ ARG A 42 6.337 0.967 0.451 1.00 0.92 C ATOM 665 NH1 ARG A 42 6.475 2.124 1.088 1.00 0.94 N ATOM 666 NH2 ARG A 42 7.410 0.262 0.128 1.00 1.11 N ATOM 0 H ARG A 42 2.767 3.333 4.325 1.00 0.46 H new ATOM 0 HA ARG A 42 3.013 3.523 1.372 1.00 0.52 H new ATOM 0 HB2 ARG A 42 1.754 1.413 3.136 1.00 0.63 H new ATOM 0 HB3 ARG A 42 1.376 1.583 1.433 1.00 0.63 H new ATOM 0 HG2 ARG A 42 4.151 1.072 2.563 1.00 0.69 H new ATOM 0 HG3 ARG A 42 3.100 -0.149 1.874 1.00 0.69 H new ATOM 0 HD2 ARG A 42 3.136 0.987 -0.306 1.00 0.75 H new ATOM 0 HD3 ARG A 42 4.070 2.310 0.363 1.00 0.75 H new ATOM 0 HE ARG A 42 5.055 -0.380 -0.341 1.00 0.87 H new ATOM 0 HH11 ARG A 42 5.651 2.670 1.337 1.00 0.94 H new ATOM 0 HH12 ARG A 42 7.405 2.466 1.328 1.00 0.94 H new ATOM 0 HH21 ARG A 42 7.308 -0.627 -0.362 1.00 1.11 H new ATOM 0 HH22 ARG A 42 8.339 0.607 0.369 1.00 1.11 H new ATOM 680 N LEU A 43 1.117 5.161 1.602 1.00 0.47 N ATOM 681 CA LEU A 43 -0.053 6.029 1.592 1.00 0.46 C ATOM 682 C LEU A 43 -1.068 5.585 0.549 1.00 0.49 C ATOM 683 O LEU A 43 -0.815 5.650 -0.655 1.00 0.65 O ATOM 684 CB LEU A 43 0.362 7.479 1.343 1.00 0.47 C ATOM 685 CG LEU A 43 0.948 8.201 2.559 1.00 0.64 C ATOM 686 CD1 LEU A 43 1.574 9.522 2.143 1.00 0.98 C ATOM 687 CD2 LEU A 43 -0.123 8.432 3.616 1.00 1.14 C ATOM 0 H LEU A 43 1.888 5.487 1.019 1.00 0.47 H new ATOM 0 HA LEU A 43 -0.527 5.958 2.571 1.00 0.46 H new ATOM 0 HB2 LEU A 43 1.097 7.498 0.539 1.00 0.47 H new ATOM 0 HB3 LEU A 43 -0.508 8.035 0.993 1.00 0.47 H new ATOM 0 HG LEU A 43 1.725 7.569 2.989 1.00 0.64 H new ATOM 0 HD11 LEU A 43 1.986 10.022 3.020 1.00 0.98 H new ATOM 0 HD12 LEU A 43 2.372 9.336 1.424 1.00 0.98 H new ATOM 0 HD13 LEU A 43 0.814 10.157 1.687 1.00 0.98 H new ATOM 0 HD21 LEU A 43 0.315 8.946 4.471 1.00 1.14 H new ATOM 0 HD22 LEU A 43 -0.923 9.042 3.196 1.00 1.14 H new ATOM 0 HD23 LEU A 43 -0.529 7.473 3.938 1.00 1.14 H new ATOM 699 N ILE A 44 -2.212 5.135 1.027 1.00 0.55 N ATOM 700 CA ILE A 44 -3.288 4.673 0.171 1.00 0.63 C ATOM 701 C ILE A 44 -4.476 5.625 0.267 1.00 0.63 C ATOM 702 O ILE A 44 -4.834 6.076 1.358 1.00 0.92 O ATOM 703 CB ILE A 44 -3.728 3.248 0.569 1.00 0.95 C ATOM 704 CG1 ILE A 44 -2.527 2.303 0.531 1.00 1.33 C ATOM 705 CG2 ILE A 44 -4.830 2.736 -0.350 1.00 1.57 C ATOM 706 CD1 ILE A 44 -2.469 1.350 1.701 1.00 1.75 C ATOM 0 H ILE A 44 -2.422 5.079 2.024 1.00 0.55 H new ATOM 0 HA ILE A 44 -2.925 4.651 -0.856 1.00 0.63 H new ATOM 0 HB ILE A 44 -4.126 3.284 1.583 1.00 0.95 H new ATOM 0 HG12 ILE A 44 -2.558 1.727 -0.394 1.00 1.33 H new ATOM 0 HG13 ILE A 44 -1.611 2.894 0.509 1.00 1.33 H new ATOM 0 HG21 ILE A 44 -5.120 1.730 -0.046 1.00 1.57 H new ATOM 0 HG22 ILE A 44 -5.694 3.397 -0.286 1.00 1.57 H new ATOM 0 HG23 ILE A 44 -4.466 2.713 -1.377 1.00 1.57 H new ATOM 0 HD11 ILE A 44 -1.591 0.711 1.607 1.00 1.75 H new ATOM 0 HD12 ILE A 44 -2.407 1.917 2.630 1.00 1.75 H new ATOM 0 HD13 ILE A 44 -3.367 0.733 1.713 1.00 1.75 H new ATOM 718 N PHE A 45 -5.082 5.933 -0.871 1.00 0.58 N ATOM 719 CA PHE A 45 -6.213 6.842 -0.901 1.00 0.72 C ATOM 720 C PHE A 45 -7.147 6.514 -2.060 1.00 0.86 C ATOM 721 O PHE A 45 -6.690 6.230 -3.173 1.00 0.83 O ATOM 722 CB PHE A 45 -5.714 8.285 -1.013 1.00 0.77 C ATOM 723 CG PHE A 45 -6.795 9.323 -0.902 1.00 1.02 C ATOM 724 CD1 PHE A 45 -7.602 9.389 0.222 1.00 0.98 C ATOM 725 CD2 PHE A 45 -6.996 10.239 -1.921 1.00 1.68 C ATOM 726 CE1 PHE A 45 -8.590 10.348 0.328 1.00 1.21 C ATOM 727 CE2 PHE A 45 -7.983 11.200 -1.822 1.00 1.95 C ATOM 728 CZ PHE A 45 -8.782 11.255 -0.697 1.00 1.59 C ATOM 0 H PHE A 45 -4.808 5.566 -1.783 1.00 0.58 H new ATOM 0 HA PHE A 45 -6.775 6.727 0.026 1.00 0.72 H new ATOM 0 HB2 PHE A 45 -4.974 8.463 -0.233 1.00 0.77 H new ATOM 0 HB3 PHE A 45 -5.205 8.408 -1.969 1.00 0.77 H new ATOM 0 HD1 PHE A 45 -7.457 8.682 1.025 1.00 0.98 H new ATOM 0 HD2 PHE A 45 -6.374 10.201 -2.803 1.00 1.68 H new ATOM 0 HE1 PHE A 45 -9.212 10.389 1.210 1.00 1.21 H new ATOM 0 HE2 PHE A 45 -8.130 11.908 -2.624 1.00 1.95 H new ATOM 0 HZ PHE A 45 -9.555 12.005 -0.618 1.00 1.59 H new ATOM 738 N ALA A 46 -8.451 6.516 -1.766 1.00 1.21 N ATOM 739 CA ALA A 46 -9.512 6.252 -2.746 1.00 1.45 C ATOM 740 C ALA A 46 -9.588 4.778 -3.151 1.00 1.26 C ATOM 741 O ALA A 46 -10.676 4.207 -3.231 1.00 1.24 O ATOM 742 CB ALA A 46 -9.354 7.136 -3.976 1.00 1.65 C ATOM 0 H ALA A 46 -8.805 6.703 -0.828 1.00 1.21 H new ATOM 0 HA ALA A 46 -10.454 6.498 -2.255 1.00 1.45 H new ATOM 0 HB1 ALA A 46 -10.153 6.919 -4.685 1.00 1.65 H new ATOM 0 HB2 ALA A 46 -9.406 8.184 -3.680 1.00 1.65 H new ATOM 0 HB3 ALA A 46 -8.390 6.939 -4.445 1.00 1.65 H new ATOM 748 N GLY A 47 -8.443 4.164 -3.393 1.00 1.29 N ATOM 749 CA GLY A 47 -8.415 2.772 -3.791 1.00 1.38 C ATOM 750 C GLY A 47 -7.032 2.338 -4.222 1.00 1.26 C ATOM 751 O GLY A 47 -6.690 1.156 -4.162 1.00 1.51 O ATOM 0 H GLY A 47 -7.527 4.606 -3.321 1.00 1.29 H new ATOM 0 HA2 GLY A 47 -8.749 2.150 -2.960 1.00 1.38 H new ATOM 0 HA3 GLY A 47 -9.117 2.614 -4.610 1.00 1.38 H new ATOM 755 N LYS A 48 -6.229 3.302 -4.647 1.00 1.08 N ATOM 756 CA LYS A 48 -4.877 3.027 -5.095 1.00 1.25 C ATOM 757 C LYS A 48 -3.865 3.661 -4.145 1.00 1.05 C ATOM 758 O LYS A 48 -4.237 4.240 -3.123 1.00 1.03 O ATOM 759 CB LYS A 48 -4.673 3.554 -6.519 1.00 1.51 C ATOM 760 CG LYS A 48 -4.727 5.070 -6.626 1.00 1.98 C ATOM 761 CD LYS A 48 -3.666 5.593 -7.579 1.00 2.33 C ATOM 762 CE LYS A 48 -3.371 7.061 -7.336 1.00 2.71 C ATOM 763 NZ LYS A 48 -2.079 7.472 -7.942 1.00 3.64 N ATOM 0 H LYS A 48 -6.495 4.286 -4.690 1.00 1.08 H new ATOM 0 HA LYS A 48 -4.723 1.948 -5.097 1.00 1.25 H new ATOM 0 HB2 LYS A 48 -3.709 3.207 -6.890 1.00 1.51 H new ATOM 0 HB3 LYS A 48 -5.437 3.126 -7.168 1.00 1.51 H new ATOM 0 HG2 LYS A 48 -5.714 5.378 -6.972 1.00 1.98 H new ATOM 0 HG3 LYS A 48 -4.583 5.512 -5.640 1.00 1.98 H new ATOM 0 HD2 LYS A 48 -2.751 5.013 -7.459 1.00 2.33 H new ATOM 0 HD3 LYS A 48 -3.999 5.454 -8.607 1.00 2.33 H new ATOM 0 HE2 LYS A 48 -4.176 7.667 -7.751 1.00 2.71 H new ATOM 0 HE3 LYS A 48 -3.347 7.254 -6.264 1.00 2.71 H new ATOM 0 HZ1 LYS A 48 -1.647 8.220 -7.363 1.00 3.64 H new ATOM 0 HZ2 LYS A 48 -1.439 6.653 -7.984 1.00 3.64 H new ATOM 0 HZ3 LYS A 48 -2.245 7.831 -8.904 1.00 3.64 H new ATOM 777 N GLN A 49 -2.591 3.567 -4.497 1.00 0.98 N ATOM 778 CA GLN A 49 -1.524 4.121 -3.677 1.00 0.86 C ATOM 779 C GLN A 49 -1.080 5.468 -4.237 1.00 0.85 C ATOM 780 O GLN A 49 -0.995 5.643 -5.455 1.00 0.98 O ATOM 781 CB GLN A 49 -0.345 3.146 -3.622 1.00 1.01 C ATOM 782 CG GLN A 49 0.557 3.342 -2.418 1.00 1.26 C ATOM 783 CD GLN A 49 1.425 2.132 -2.142 1.00 1.41 C ATOM 784 OE1 GLN A 49 0.925 1.214 -1.326 1.00 1.50 O flip ATOM 785 NE2 GLN A 49 2.537 2.022 -2.652 1.00 2.20 N flip ATOM 0 H GLN A 49 -2.270 3.109 -5.350 1.00 0.98 H new ATOM 0 HA GLN A 49 -1.896 4.273 -2.664 1.00 0.86 H new ATOM 0 HB2 GLN A 49 -0.729 2.126 -3.614 1.00 1.01 H new ATOM 0 HB3 GLN A 49 0.248 3.256 -4.530 1.00 1.01 H new ATOM 0 HG2 GLN A 49 1.193 4.212 -2.582 1.00 1.26 H new ATOM 0 HG3 GLN A 49 -0.054 3.555 -1.541 1.00 1.26 H new ATOM 0 HE21 GLN A 49 2.887 2.750 -3.275 1.00 2.20 H new ATOM 0 HE22 GLN A 49 3.111 1.203 -2.453 1.00 2.20 H new ATOM 794 N LEU A 50 -0.809 6.414 -3.349 1.00 0.77 N ATOM 795 CA LEU A 50 -0.383 7.747 -3.753 1.00 0.82 C ATOM 796 C LEU A 50 1.042 7.720 -4.290 1.00 0.89 C ATOM 797 O LEU A 50 1.863 6.906 -3.856 1.00 0.93 O ATOM 798 CB LEU A 50 -0.473 8.718 -2.574 1.00 0.75 C ATOM 799 CG LEU A 50 -1.869 8.893 -1.973 1.00 0.73 C ATOM 800 CD1 LEU A 50 -1.860 9.981 -0.914 1.00 1.01 C ATOM 801 CD2 LEU A 50 -2.885 9.211 -3.058 1.00 0.87 C ATOM 0 H LEU A 50 -0.877 6.282 -2.340 1.00 0.77 H new ATOM 0 HA LEU A 50 -1.049 8.087 -4.546 1.00 0.82 H new ATOM 0 HB2 LEU A 50 0.201 8.374 -1.790 1.00 0.75 H new ATOM 0 HB3 LEU A 50 -0.111 9.693 -2.900 1.00 0.75 H new ATOM 0 HG LEU A 50 -2.158 7.955 -1.500 1.00 0.73 H new ATOM 0 HD11 LEU A 50 -2.861 10.092 -0.498 1.00 1.01 H new ATOM 0 HD12 LEU A 50 -1.164 9.710 -0.120 1.00 1.01 H new ATOM 0 HD13 LEU A 50 -1.548 10.924 -1.363 1.00 1.01 H new ATOM 0 HD21 LEU A 50 -3.871 9.332 -2.609 1.00 0.87 H new ATOM 0 HD22 LEU A 50 -2.601 10.134 -3.563 1.00 0.87 H new ATOM 0 HD23 LEU A 50 -2.913 8.396 -3.781 1.00 0.87 H new ATOM 813 N GLU A 51 1.337 8.610 -5.225 1.00 0.95 N ATOM 814 CA GLU A 51 2.662 8.682 -5.813 1.00 1.07 C ATOM 815 C GLU A 51 3.527 9.655 -5.024 1.00 0.91 C ATOM 816 O GLU A 51 3.136 10.798 -4.784 1.00 0.89 O ATOM 817 CB GLU A 51 2.578 9.114 -7.277 1.00 1.37 C ATOM 818 CG GLU A 51 3.382 8.233 -8.218 1.00 1.59 C ATOM 819 CD GLU A 51 4.840 8.138 -7.820 1.00 1.84 C ATOM 820 OE1 GLU A 51 5.499 9.187 -7.697 1.00 1.95 O ATOM 821 OE2 GLU A 51 5.335 7.011 -7.631 1.00 2.64 O ATOM 0 H GLU A 51 0.674 9.293 -5.592 1.00 0.95 H new ATOM 0 HA GLU A 51 3.116 7.692 -5.774 1.00 1.07 H new ATOM 0 HB2 GLU A 51 1.534 9.107 -7.590 1.00 1.37 H new ATOM 0 HB3 GLU A 51 2.931 10.142 -7.365 1.00 1.37 H new ATOM 0 HG2 GLU A 51 2.947 7.233 -8.235 1.00 1.59 H new ATOM 0 HG3 GLU A 51 3.310 8.629 -9.231 1.00 1.59 H new ATOM 828 N ASP A 52 4.702 9.188 -4.628 1.00 0.89 N ATOM 829 CA ASP A 52 5.643 9.983 -3.845 1.00 0.90 C ATOM 830 C ASP A 52 6.056 11.265 -4.575 1.00 1.06 C ATOM 831 O ASP A 52 6.356 12.279 -3.940 1.00 1.66 O ATOM 832 CB ASP A 52 6.889 9.152 -3.522 1.00 0.94 C ATOM 833 CG ASP A 52 6.566 7.864 -2.786 1.00 1.07 C ATOM 834 OD1 ASP A 52 6.138 6.882 -3.440 1.00 1.51 O ATOM 835 OD2 ASP A 52 6.749 7.816 -1.553 1.00 1.32 O ATOM 0 H ASP A 52 5.032 8.246 -4.840 1.00 0.89 H new ATOM 0 HA ASP A 52 5.139 10.271 -2.922 1.00 0.90 H new ATOM 0 HB2 ASP A 52 7.411 8.914 -4.449 1.00 0.94 H new ATOM 0 HB3 ASP A 52 7.571 9.749 -2.917 1.00 0.94 H new ATOM 840 N GLY A 53 6.050 11.224 -5.905 1.00 1.02 N ATOM 841 CA GLY A 53 6.446 12.384 -6.689 1.00 1.10 C ATOM 842 C GLY A 53 5.289 13.303 -7.048 1.00 1.05 C ATOM 843 O GLY A 53 5.385 14.096 -7.987 1.00 1.14 O ATOM 0 H GLY A 53 5.778 10.409 -6.455 1.00 1.02 H new ATOM 0 HA2 GLY A 53 7.190 12.952 -6.131 1.00 1.10 H new ATOM 0 HA3 GLY A 53 6.927 12.045 -7.606 1.00 1.10 H new ATOM 847 N ARG A 54 4.185 13.187 -6.329 1.00 0.93 N ATOM 848 CA ARG A 54 3.026 14.036 -6.573 1.00 0.91 C ATOM 849 C ARG A 54 2.750 14.910 -5.358 1.00 0.83 C ATOM 850 O ARG A 54 3.350 14.718 -4.298 1.00 0.82 O ATOM 851 CB ARG A 54 1.795 13.185 -6.897 1.00 0.93 C ATOM 852 CG ARG A 54 1.881 12.447 -8.225 1.00 1.03 C ATOM 853 CD ARG A 54 1.699 13.382 -9.410 1.00 1.30 C ATOM 854 NE ARG A 54 2.900 14.171 -9.683 1.00 1.89 N ATOM 855 CZ ARG A 54 2.956 15.148 -10.585 1.00 2.64 C ATOM 856 NH1 ARG A 54 1.890 15.434 -11.325 1.00 2.91 N ATOM 857 NH2 ARG A 54 4.080 15.835 -10.752 1.00 3.46 N ATOM 0 H ARG A 54 4.065 12.514 -5.572 1.00 0.93 H new ATOM 0 HA ARG A 54 3.242 14.676 -7.429 1.00 0.91 H new ATOM 0 HB2 ARG A 54 1.649 12.458 -6.098 1.00 0.93 H new ATOM 0 HB3 ARG A 54 0.915 13.828 -6.907 1.00 0.93 H new ATOM 0 HG2 ARG A 54 2.848 11.949 -8.301 1.00 1.03 H new ATOM 0 HG3 ARG A 54 1.119 11.669 -8.257 1.00 1.03 H new ATOM 0 HD2 ARG A 54 1.441 12.799 -10.294 1.00 1.30 H new ATOM 0 HD3 ARG A 54 0.862 14.053 -9.216 1.00 1.30 H new ATOM 0 HE ARG A 54 3.744 13.960 -9.151 1.00 1.89 H new ATOM 0 HH11 ARG A 54 1.027 14.904 -11.202 1.00 2.91 H new ATOM 0 HH12 ARG A 54 1.935 16.183 -12.016 1.00 2.91 H new ATOM 0 HH21 ARG A 54 4.901 15.614 -10.189 1.00 3.46 H new ATOM 0 HH22 ARG A 54 4.122 16.584 -11.444 1.00 3.46 H new ATOM 871 N THR A 55 1.850 15.870 -5.511 1.00 0.80 N ATOM 872 CA THR A 55 1.501 16.759 -4.418 1.00 0.76 C ATOM 873 C THR A 55 0.085 16.476 -3.934 1.00 0.71 C ATOM 874 O THR A 55 -0.669 15.754 -4.587 1.00 0.73 O ATOM 875 CB THR A 55 1.617 18.244 -4.826 1.00 0.81 C ATOM 876 OG1 THR A 55 0.840 18.501 -5.999 1.00 1.06 O ATOM 877 CG2 THR A 55 3.067 18.625 -5.083 1.00 0.96 C ATOM 0 H THR A 55 1.350 16.052 -6.381 1.00 0.80 H new ATOM 0 HA THR A 55 2.209 16.571 -3.611 1.00 0.76 H new ATOM 0 HB THR A 55 1.236 18.848 -4.002 1.00 0.81 H new ATOM 0 HG1 THR A 55 1.153 17.929 -6.730 1.00 1.06 H new ATOM 0 HG21 THR A 55 3.122 19.675 -5.369 1.00 0.96 H new ATOM 0 HG22 THR A 55 3.651 18.464 -4.177 1.00 0.96 H new ATOM 0 HG23 THR A 55 3.468 18.009 -5.888 1.00 0.96 H new ATOM 885 N LEU A 56 -0.261 17.040 -2.788 1.00 0.68 N ATOM 886 CA LEU A 56 -1.584 16.856 -2.210 1.00 0.67 C ATOM 887 C LEU A 56 -2.676 17.334 -3.164 1.00 0.70 C ATOM 888 O LEU A 56 -3.648 16.618 -3.419 1.00 0.71 O ATOM 889 CB LEU A 56 -1.676 17.601 -0.878 1.00 0.68 C ATOM 890 CG LEU A 56 -0.688 17.126 0.191 1.00 0.76 C ATOM 891 CD1 LEU A 56 -0.831 17.952 1.451 1.00 1.34 C ATOM 892 CD2 LEU A 56 -0.898 15.653 0.497 1.00 1.26 C ATOM 0 H LEU A 56 0.360 17.633 -2.236 1.00 0.68 H new ATOM 0 HA LEU A 56 -1.738 15.791 -2.037 1.00 0.67 H new ATOM 0 HB2 LEU A 56 -1.511 18.663 -1.059 1.00 0.68 H new ATOM 0 HB3 LEU A 56 -2.689 17.498 -0.489 1.00 0.68 H new ATOM 0 HG LEU A 56 0.323 17.257 -0.196 1.00 0.76 H new ATOM 0 HD11 LEU A 56 -0.121 17.600 2.199 1.00 1.34 H new ATOM 0 HD12 LEU A 56 -0.630 18.999 1.224 1.00 1.34 H new ATOM 0 HD13 LEU A 56 -1.845 17.853 1.838 1.00 1.34 H new ATOM 0 HD21 LEU A 56 -0.186 15.335 1.259 1.00 1.26 H new ATOM 0 HD22 LEU A 56 -1.913 15.498 0.862 1.00 1.26 H new ATOM 0 HD23 LEU A 56 -0.745 15.068 -0.410 1.00 1.26 H new ATOM 904 N SER A 57 -2.506 18.537 -3.702 1.00 0.74 N ATOM 905 CA SER A 57 -3.470 19.121 -4.629 1.00 0.79 C ATOM 906 C SER A 57 -3.647 18.292 -5.907 1.00 0.82 C ATOM 907 O SER A 57 -4.619 18.478 -6.639 1.00 0.84 O ATOM 908 CB SER A 57 -3.026 20.540 -4.982 1.00 0.86 C ATOM 909 OG SER A 57 -1.680 20.757 -4.583 1.00 0.95 O ATOM 0 H SER A 57 -1.701 19.132 -3.509 1.00 0.74 H new ATOM 0 HA SER A 57 -4.440 19.135 -4.131 1.00 0.79 H new ATOM 0 HB2 SER A 57 -3.123 20.701 -6.056 1.00 0.86 H new ATOM 0 HB3 SER A 57 -3.677 21.263 -4.491 1.00 0.86 H new ATOM 0 HG SER A 57 -1.662 21.091 -3.662 1.00 0.95 H new ATOM 915 N ASP A 58 -2.735 17.359 -6.162 1.00 0.83 N ATOM 916 CA ASP A 58 -2.826 16.526 -7.358 1.00 0.88 C ATOM 917 C ASP A 58 -3.899 15.471 -7.167 1.00 0.88 C ATOM 918 O ASP A 58 -4.567 15.062 -8.115 1.00 0.94 O ATOM 919 CB ASP A 58 -1.494 15.833 -7.670 1.00 0.89 C ATOM 920 CG ASP A 58 -0.462 16.764 -8.269 1.00 0.87 C ATOM 921 OD1 ASP A 58 -0.818 17.575 -9.149 1.00 1.03 O ATOM 922 OD2 ASP A 58 0.712 16.697 -7.852 1.00 1.03 O ATOM 0 H ASP A 58 -1.932 17.161 -5.564 1.00 0.83 H new ATOM 0 HA ASP A 58 -3.078 17.177 -8.195 1.00 0.88 H new ATOM 0 HB2 ASP A 58 -1.094 15.400 -6.753 1.00 0.89 H new ATOM 0 HB3 ASP A 58 -1.674 15.009 -8.360 1.00 0.89 H new ATOM 927 N TYR A 59 -4.065 15.047 -5.923 1.00 0.84 N ATOM 928 CA TYR A 59 -5.042 14.025 -5.586 1.00 0.87 C ATOM 929 C TYR A 59 -6.269 14.618 -4.910 1.00 0.86 C ATOM 930 O TYR A 59 -6.999 13.904 -4.219 1.00 0.89 O ATOM 931 CB TYR A 59 -4.408 12.986 -4.666 1.00 0.81 C ATOM 932 CG TYR A 59 -3.374 12.128 -5.352 1.00 0.82 C ATOM 933 CD1 TYR A 59 -3.732 11.297 -6.402 1.00 0.90 C ATOM 934 CD2 TYR A 59 -2.044 12.146 -4.951 1.00 0.84 C ATOM 935 CE1 TYR A 59 -2.799 10.507 -7.034 1.00 0.98 C ATOM 936 CE2 TYR A 59 -1.101 11.358 -5.582 1.00 0.91 C ATOM 937 CZ TYR A 59 -1.486 10.540 -6.623 1.00 0.98 C ATOM 938 OH TYR A 59 -0.558 9.748 -7.257 1.00 1.11 O ATOM 0 H TYR A 59 -3.532 15.398 -5.127 1.00 0.84 H new ATOM 0 HA TYR A 59 -5.363 13.555 -6.516 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -3.944 13.495 -3.821 1.00 0.81 H new ATOM 0 HB3 TYR A 59 -5.191 12.344 -4.261 1.00 0.81 H new ATOM 0 HD1 TYR A 59 -4.761 11.269 -6.730 1.00 0.90 H new ATOM 0 HD2 TYR A 59 -1.743 12.785 -4.134 1.00 0.84 H new ATOM 0 HE1 TYR A 59 -3.096 9.864 -7.849 1.00 0.98 H new ATOM 0 HE2 TYR A 59 -0.070 11.383 -5.262 1.00 0.91 H new ATOM 0 HH TYR A 59 -0.766 9.703 -8.214 1.00 1.11 H new ATOM 948 N ASN A 60 -6.504 15.916 -5.121 1.00 0.86 N ATOM 949 CA ASN A 60 -7.643 16.610 -4.520 1.00 0.87 C ATOM 950 C ASN A 60 -7.604 16.514 -2.995 1.00 0.80 C ATOM 951 O ASN A 60 -8.640 16.471 -2.330 1.00 0.81 O ATOM 952 CB ASN A 60 -8.969 16.062 -5.068 1.00 0.95 C ATOM 953 CG ASN A 60 -10.155 16.952 -4.736 1.00 1.00 C ATOM 954 OD1 ASN A 60 -10.011 18.162 -4.542 1.00 0.99 O ATOM 955 ND2 ASN A 60 -11.338 16.363 -4.683 1.00 1.07 N ATOM 0 H ASN A 60 -5.916 16.509 -5.707 1.00 0.86 H new ATOM 0 HA ASN A 60 -7.573 17.663 -4.791 1.00 0.87 H new ATOM 0 HB2 ASN A 60 -8.893 15.954 -6.150 1.00 0.95 H new ATOM 0 HB3 ASN A 60 -9.142 15.066 -4.660 1.00 0.95 H new ATOM 0 HD21 ASN A 60 -12.172 16.912 -4.476 1.00 1.07 H new ATOM 0 HD22 ASN A 60 -11.416 15.360 -4.849 1.00 1.07 H new ATOM 962 N ILE A 61 -6.403 16.479 -2.442 1.00 0.75 N ATOM 963 CA ILE A 61 -6.241 16.403 -1.000 1.00 0.70 C ATOM 964 C ILE A 61 -6.283 17.805 -0.403 1.00 0.72 C ATOM 965 O ILE A 61 -5.470 18.664 -0.740 1.00 0.76 O ATOM 966 CB ILE A 61 -4.928 15.691 -0.601 1.00 0.66 C ATOM 967 CG1 ILE A 61 -4.935 14.249 -1.120 1.00 0.66 C ATOM 968 CG2 ILE A 61 -4.742 15.712 0.913 1.00 0.63 C ATOM 969 CD1 ILE A 61 -3.590 13.560 -1.030 1.00 0.63 C ATOM 0 H ILE A 61 -5.529 16.502 -2.967 1.00 0.75 H new ATOM 0 HA ILE A 61 -7.065 15.810 -0.603 1.00 0.70 H new ATOM 0 HB ILE A 61 -4.092 16.224 -1.053 1.00 0.66 H new ATOM 0 HG12 ILE A 61 -5.667 13.673 -0.554 1.00 0.66 H new ATOM 0 HG13 ILE A 61 -5.264 14.248 -2.159 1.00 0.66 H new ATOM 0 HG21 ILE A 61 -3.812 15.206 1.172 1.00 0.63 H new ATOM 0 HG22 ILE A 61 -4.702 16.744 1.260 1.00 0.63 H new ATOM 0 HG23 ILE A 61 -5.579 15.201 1.389 1.00 0.63 H new ATOM 0 HD11 ILE A 61 -3.675 12.544 -1.416 1.00 0.63 H new ATOM 0 HD12 ILE A 61 -2.858 14.112 -1.620 1.00 0.63 H new ATOM 0 HD13 ILE A 61 -3.267 13.527 0.011 1.00 0.63 H new ATOM 981 N GLN A 62 -7.249 18.022 0.471 1.00 0.72 N ATOM 982 CA GLN A 62 -7.432 19.311 1.115 1.00 0.75 C ATOM 983 C GLN A 62 -7.260 19.159 2.618 1.00 0.73 C ATOM 984 O GLN A 62 -6.744 18.145 3.089 1.00 0.70 O ATOM 985 CB GLN A 62 -8.825 19.860 0.795 1.00 0.82 C ATOM 986 CG GLN A 62 -9.123 19.950 -0.693 1.00 0.86 C ATOM 987 CD GLN A 62 -10.510 20.495 -0.974 1.00 0.98 C ATOM 988 OE1 GLN A 62 -11.032 21.320 -0.225 1.00 1.04 O ATOM 989 NE2 GLN A 62 -11.118 20.031 -2.053 1.00 1.14 N ATOM 0 H GLN A 62 -7.926 17.314 0.754 1.00 0.72 H new ATOM 0 HA GLN A 62 -6.685 20.011 0.741 1.00 0.75 H new ATOM 0 HB2 GLN A 62 -9.573 19.224 1.268 1.00 0.82 H new ATOM 0 HB3 GLN A 62 -8.925 20.852 1.236 1.00 0.82 H new ATOM 0 HG2 GLN A 62 -8.381 20.589 -1.171 1.00 0.86 H new ATOM 0 HG3 GLN A 62 -9.027 18.961 -1.140 1.00 0.86 H new ATOM 0 HE21 GLN A 62 -10.650 19.347 -2.648 1.00 1.14 H new ATOM 0 HE22 GLN A 62 -12.055 20.357 -2.290 1.00 1.14 H new ATOM 998 N LYS A 63 -7.668 20.166 3.369 1.00 0.78 N ATOM 999 CA LYS A 63 -7.576 20.106 4.818 1.00 0.81 C ATOM 1000 C LYS A 63 -8.537 19.051 5.367 1.00 0.84 C ATOM 1001 O LYS A 63 -9.526 18.701 4.719 1.00 0.88 O ATOM 1002 CB LYS A 63 -7.888 21.475 5.433 1.00 0.89 C ATOM 1003 CG LYS A 63 -9.341 21.897 5.290 1.00 0.98 C ATOM 1004 CD LYS A 63 -9.593 23.269 5.893 1.00 1.05 C ATOM 1005 CE LYS A 63 -9.297 24.383 4.902 1.00 1.20 C ATOM 1006 NZ LYS A 63 -10.127 24.268 3.674 1.00 1.50 N ATOM 0 H LYS A 63 -8.065 21.031 3.003 1.00 0.78 H new ATOM 0 HA LYS A 63 -6.557 19.828 5.088 1.00 0.81 H new ATOM 0 HB2 LYS A 63 -7.628 21.455 6.491 1.00 0.89 H new ATOM 0 HB3 LYS A 63 -7.254 22.227 4.963 1.00 0.89 H new ATOM 0 HG2 LYS A 63 -9.614 21.908 4.235 1.00 0.98 H new ATOM 0 HG3 LYS A 63 -9.982 21.163 5.777 1.00 0.98 H new ATOM 0 HD2 LYS A 63 -10.631 23.338 6.218 1.00 1.05 H new ATOM 0 HD3 LYS A 63 -8.972 23.396 6.780 1.00 1.05 H new ATOM 0 HE2 LYS A 63 -9.480 25.348 5.375 1.00 1.20 H new ATOM 0 HE3 LYS A 63 -8.242 24.356 4.631 1.00 1.20 H new ATOM 0 HZ1 LYS A 63 -10.270 25.212 3.262 1.00 1.50 H new ATOM 0 HZ2 LYS A 63 -9.643 23.659 2.984 1.00 1.50 H new ATOM 0 HZ3 LYS A 63 -11.049 23.852 3.916 1.00 1.50 H new ATOM 1020 N GLU A 64 -8.222 18.552 6.560 1.00 0.86 N ATOM 1021 CA GLU A 64 -9.032 17.543 7.251 1.00 0.91 C ATOM 1022 C GLU A 64 -9.204 16.243 6.450 1.00 0.83 C ATOM 1023 O GLU A 64 -10.045 15.408 6.792 1.00 0.87 O ATOM 1024 CB GLU A 64 -10.402 18.130 7.601 1.00 1.04 C ATOM 1025 CG GLU A 64 -10.324 19.470 8.318 1.00 1.15 C ATOM 1026 CD GLU A 64 -9.666 19.368 9.679 1.00 1.26 C ATOM 1027 OE1 GLU A 64 -10.336 18.911 10.629 1.00 1.73 O ATOM 1028 OE2 GLU A 64 -8.482 19.748 9.806 1.00 1.64 O ATOM 0 H GLU A 64 -7.392 18.836 7.081 1.00 0.86 H new ATOM 0 HA GLU A 64 -8.492 17.275 8.159 1.00 0.91 H new ATOM 0 HB2 GLU A 64 -10.981 18.250 6.686 1.00 1.04 H new ATOM 0 HB3 GLU A 64 -10.942 17.422 8.229 1.00 1.04 H new ATOM 0 HG2 GLU A 64 -9.767 20.175 7.702 1.00 1.15 H new ATOM 0 HG3 GLU A 64 -11.330 19.874 8.435 1.00 1.15 H new ATOM 1035 N SER A 65 -8.418 16.067 5.396 1.00 0.74 N ATOM 1036 CA SER A 65 -8.502 14.859 4.585 1.00 0.68 C ATOM 1037 C SER A 65 -7.927 13.669 5.338 1.00 0.61 C ATOM 1038 O SER A 65 -7.073 13.831 6.210 1.00 0.59 O ATOM 1039 CB SER A 65 -7.758 15.039 3.262 1.00 0.65 C ATOM 1040 OG SER A 65 -8.270 16.142 2.537 1.00 0.72 O ATOM 0 H SER A 65 -7.719 16.741 5.084 1.00 0.74 H new ATOM 0 HA SER A 65 -9.555 14.672 4.373 1.00 0.68 H new ATOM 0 HB2 SER A 65 -6.696 15.188 3.456 1.00 0.65 H new ATOM 0 HB3 SER A 65 -7.849 14.132 2.664 1.00 0.65 H new ATOM 0 HG SER A 65 -7.644 16.894 2.600 1.00 0.72 H new ATOM 1046 N THR A 66 -8.391 12.478 4.994 1.00 0.59 N ATOM 1047 CA THR A 66 -7.929 11.265 5.639 1.00 0.57 C ATOM 1048 C THR A 66 -7.158 10.399 4.650 1.00 0.55 C ATOM 1049 O THR A 66 -7.641 10.110 3.556 1.00 0.61 O ATOM 1050 CB THR A 66 -9.104 10.451 6.216 1.00 0.66 C ATOM 1051 OG1 THR A 66 -9.981 11.316 6.955 1.00 0.76 O ATOM 1052 CG2 THR A 66 -8.598 9.335 7.121 1.00 0.68 C ATOM 0 H THR A 66 -9.091 12.328 4.267 1.00 0.59 H new ATOM 0 HA THR A 66 -7.274 11.560 6.459 1.00 0.57 H new ATOM 0 HB THR A 66 -9.651 10.002 5.387 1.00 0.66 H new ATOM 0 HG1 THR A 66 -10.727 10.793 7.318 1.00 0.76 H new ATOM 0 HG21 THR A 66 -9.445 8.775 7.516 1.00 0.68 H new ATOM 0 HG22 THR A 66 -7.955 8.666 6.549 1.00 0.68 H new ATOM 0 HG23 THR A 66 -8.031 9.765 7.946 1.00 0.68 H new ATOM 1060 N LEU A 67 -5.953 10.006 5.026 1.00 0.51 N ATOM 1061 CA LEU A 67 -5.123 9.166 4.178 1.00 0.53 C ATOM 1062 C LEU A 67 -4.821 7.863 4.901 1.00 0.56 C ATOM 1063 O LEU A 67 -4.551 7.866 6.102 1.00 0.77 O ATOM 1064 CB LEU A 67 -3.818 9.887 3.828 1.00 0.53 C ATOM 1065 CG LEU A 67 -3.984 11.271 3.191 1.00 0.58 C ATOM 1066 CD1 LEU A 67 -2.644 11.986 3.109 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -4.606 11.156 1.809 1.00 0.84 C ATOM 0 H LEU A 67 -5.525 10.256 5.918 1.00 0.51 H new ATOM 0 HA LEU A 67 -5.658 8.952 3.253 1.00 0.53 H new ATOM 0 HB2 LEU A 67 -3.226 9.992 4.737 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -3.246 9.258 3.146 1.00 0.53 H new ATOM 0 HG LEU A 67 -4.652 11.857 3.822 1.00 0.58 H new ATOM 0 HD11 LEU A 67 -2.782 12.967 2.654 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -2.234 12.106 4.112 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -1.955 11.399 2.502 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -4.715 12.150 1.375 1.00 0.84 H new ATOM 0 HD22 LEU A 67 -3.964 10.550 1.170 1.00 0.84 H new ATOM 0 HD23 LEU A 67 -5.586 10.686 1.889 1.00 0.84 H new ATOM 1079 N HIS A 68 -4.893 6.749 4.190 1.00 0.50 N ATOM 1080 CA HIS A 68 -4.618 5.457 4.798 1.00 0.54 C ATOM 1081 C HIS A 68 -3.127 5.161 4.773 1.00 0.49 C ATOM 1082 O HIS A 68 -2.471 5.315 3.746 1.00 0.50 O ATOM 1083 CB HIS A 68 -5.392 4.344 4.094 1.00 0.63 C ATOM 1084 CG HIS A 68 -6.501 3.770 4.926 1.00 0.70 C ATOM 1085 ND1 HIS A 68 -6.598 3.956 6.292 1.00 1.18 N ATOM 1086 CD2 HIS A 68 -7.570 3.016 4.576 1.00 1.42 C ATOM 1087 CE1 HIS A 68 -7.676 3.339 6.741 1.00 1.33 C ATOM 1088 NE2 HIS A 68 -8.279 2.762 5.723 1.00 1.45 N ATOM 0 H HIS A 68 -5.137 6.713 3.200 1.00 0.50 H new ATOM 0 HA HIS A 68 -4.948 5.497 5.836 1.00 0.54 H new ATOM 0 HB2 HIS A 68 -5.809 4.733 3.165 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -4.701 3.546 3.823 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -5.940 4.486 6.864 1.00 1.18 H new ATOM 0 HD2 HIS A 68 -7.818 2.678 3.581 1.00 1.42 H new ATOM 0 HE1 HIS A 68 -8.007 3.312 7.769 1.00 1.33 H new ATOM 1097 N LEU A 69 -2.605 4.732 5.909 1.00 0.48 N ATOM 1098 CA LEU A 69 -1.190 4.429 6.026 1.00 0.47 C ATOM 1099 C LEU A 69 -0.960 2.955 6.349 1.00 0.53 C ATOM 1100 O LEU A 69 -1.706 2.346 7.117 1.00 0.64 O ATOM 1101 CB LEU A 69 -0.555 5.311 7.104 1.00 0.49 C ATOM 1102 CG LEU A 69 0.966 5.203 7.234 1.00 0.67 C ATOM 1103 CD1 LEU A 69 1.648 5.753 5.991 1.00 0.90 C ATOM 1104 CD2 LEU A 69 1.449 5.934 8.479 1.00 1.00 C ATOM 0 H LEU A 69 -3.141 4.586 6.764 1.00 0.48 H new ATOM 0 HA LEU A 69 -0.719 4.637 5.065 1.00 0.47 H new ATOM 0 HB2 LEU A 69 -0.811 6.350 6.896 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -1.003 5.059 8.065 1.00 0.49 H new ATOM 0 HG LEU A 69 1.229 4.150 7.332 1.00 0.67 H new ATOM 0 HD11 LEU A 69 2.729 5.668 6.101 1.00 0.90 H new ATOM 0 HD12 LEU A 69 1.327 5.185 5.118 1.00 0.90 H new ATOM 0 HD13 LEU A 69 1.378 6.801 5.861 1.00 0.90 H new ATOM 0 HD21 LEU A 69 2.533 5.846 8.555 1.00 1.00 H new ATOM 0 HD22 LEU A 69 1.174 6.987 8.413 1.00 1.00 H new ATOM 0 HD23 LEU A 69 0.987 5.493 9.362 1.00 1.00 H new ATOM 1116 N VAL A 70 0.060 2.387 5.733 1.00 0.53 N ATOM 1117 CA VAL A 70 0.437 0.998 5.946 1.00 0.59 C ATOM 1118 C VAL A 70 1.952 0.927 6.123 1.00 0.57 C ATOM 1119 O VAL A 70 2.681 1.672 5.470 1.00 0.57 O ATOM 1120 CB VAL A 70 -0.025 0.107 4.766 1.00 0.65 C ATOM 1121 CG1 VAL A 70 0.661 -1.253 4.783 1.00 1.08 C ATOM 1122 CG2 VAL A 70 -1.532 -0.067 4.804 1.00 1.05 C ATOM 0 H VAL A 70 0.655 2.878 5.066 1.00 0.53 H new ATOM 0 HA VAL A 70 -0.055 0.621 6.843 1.00 0.59 H new ATOM 0 HB VAL A 70 0.259 0.608 3.841 1.00 0.65 H new ATOM 0 HG11 VAL A 70 0.310 -1.848 3.940 1.00 1.08 H new ATOM 0 HG12 VAL A 70 1.740 -1.117 4.707 1.00 1.08 H new ATOM 0 HG13 VAL A 70 0.424 -1.768 5.714 1.00 1.08 H new ATOM 0 HG21 VAL A 70 -1.847 -0.695 3.970 1.00 1.05 H new ATOM 0 HG22 VAL A 70 -1.820 -0.539 5.743 1.00 1.05 H new ATOM 0 HG23 VAL A 70 -2.013 0.908 4.726 1.00 1.05 H new ATOM 1132 N LEU A 71 2.417 0.060 7.013 1.00 0.61 N ATOM 1133 CA LEU A 71 3.848 -0.065 7.272 1.00 0.63 C ATOM 1134 C LEU A 71 4.458 -1.228 6.498 1.00 0.64 C ATOM 1135 O LEU A 71 3.747 -2.013 5.880 1.00 0.70 O ATOM 1136 CB LEU A 71 4.098 -0.248 8.771 1.00 0.73 C ATOM 1137 CG LEU A 71 3.624 0.909 9.656 1.00 0.86 C ATOM 1138 CD1 LEU A 71 3.915 0.614 11.120 1.00 0.97 C ATOM 1139 CD2 LEU A 71 4.285 2.212 9.234 1.00 0.98 C ATOM 0 H LEU A 71 1.829 -0.564 7.566 1.00 0.61 H new ATOM 0 HA LEU A 71 4.328 0.853 6.933 1.00 0.63 H new ATOM 0 HB2 LEU A 71 3.601 -1.162 9.097 1.00 0.73 H new ATOM 0 HB3 LEU A 71 5.167 -0.392 8.930 1.00 0.73 H new ATOM 0 HG LEU A 71 2.546 1.015 9.533 1.00 0.86 H new ATOM 0 HD11 LEU A 71 3.572 1.447 11.734 1.00 0.97 H new ATOM 0 HD12 LEU A 71 3.394 -0.296 11.418 1.00 0.97 H new ATOM 0 HD13 LEU A 71 4.988 0.480 11.258 1.00 0.97 H new ATOM 0 HD21 LEU A 71 3.935 3.022 9.875 1.00 0.98 H new ATOM 0 HD22 LEU A 71 5.367 2.118 9.326 1.00 0.98 H new ATOM 0 HD23 LEU A 71 4.027 2.432 8.198 1.00 0.98 H new ATOM 1151 N ARG A 72 5.782 -1.326 6.530 1.00 0.88 N ATOM 1152 CA ARG A 72 6.497 -2.393 5.842 1.00 0.97 C ATOM 1153 C ARG A 72 7.862 -2.602 6.482 1.00 1.16 C ATOM 1154 O ARG A 72 8.812 -1.888 6.173 1.00 1.48 O ATOM 1155 CB ARG A 72 6.673 -2.060 4.355 1.00 1.07 C ATOM 1156 CG ARG A 72 7.362 -3.167 3.566 1.00 1.39 C ATOM 1157 CD ARG A 72 7.792 -2.699 2.183 1.00 1.15 C ATOM 1158 NE ARG A 72 9.054 -1.957 2.220 1.00 1.50 N ATOM 1159 CZ ARG A 72 10.159 -2.322 1.565 1.00 1.88 C ATOM 1160 NH1 ARG A 72 10.177 -3.437 0.840 1.00 2.11 N ATOM 1161 NH2 ARG A 72 11.250 -1.571 1.627 1.00 2.62 N ATOM 0 H ARG A 72 6.386 -0.673 7.030 1.00 0.88 H new ATOM 0 HA ARG A 72 5.910 -3.308 5.928 1.00 0.97 H new ATOM 0 HB2 ARG A 72 5.695 -1.865 3.915 1.00 1.07 H new ATOM 0 HB3 ARG A 72 7.253 -1.142 4.262 1.00 1.07 H new ATOM 0 HG2 ARG A 72 8.235 -3.516 4.118 1.00 1.39 H new ATOM 0 HG3 ARG A 72 6.686 -4.016 3.467 1.00 1.39 H new ATOM 0 HD2 ARG A 72 7.899 -3.562 1.526 1.00 1.15 H new ATOM 0 HD3 ARG A 72 7.013 -2.067 1.756 1.00 1.15 H new ATOM 0 HE ARG A 72 9.091 -1.107 2.782 1.00 1.50 H new ATOM 0 HH11 ARG A 72 9.343 -4.021 0.781 1.00 2.11 H new ATOM 0 HH12 ARG A 72 11.025 -3.708 0.343 1.00 2.11 H new ATOM 0 HH21 ARG A 72 11.247 -0.712 2.176 1.00 2.62 H new ATOM 0 HH22 ARG A 72 12.092 -1.853 1.125 1.00 2.62 H new ATOM 1175 N LEU A 73 7.959 -3.560 7.387 1.00 1.26 N ATOM 1176 CA LEU A 73 9.223 -3.833 8.052 1.00 1.52 C ATOM 1177 C LEU A 73 10.095 -4.716 7.167 1.00 1.66 C ATOM 1178 O LEU A 73 10.941 -4.217 6.420 1.00 1.74 O ATOM 1179 CB LEU A 73 8.990 -4.496 9.415 1.00 1.76 C ATOM 1180 CG LEU A 73 8.679 -3.535 10.569 1.00 1.75 C ATOM 1181 CD1 LEU A 73 7.274 -2.964 10.440 1.00 2.34 C ATOM 1182 CD2 LEU A 73 8.847 -4.238 11.906 1.00 1.97 C ATOM 0 H LEU A 73 7.185 -4.158 7.677 1.00 1.26 H new ATOM 0 HA LEU A 73 9.738 -2.888 8.223 1.00 1.52 H new ATOM 0 HB2 LEU A 73 8.165 -5.202 9.320 1.00 1.76 H new ATOM 0 HB3 LEU A 73 9.877 -5.074 9.675 1.00 1.76 H new ATOM 0 HG LEU A 73 9.386 -2.707 10.520 1.00 1.75 H new ATOM 0 HD11 LEU A 73 7.079 -2.286 11.271 1.00 2.34 H new ATOM 0 HD12 LEU A 73 7.187 -2.420 9.499 1.00 2.34 H new ATOM 0 HD13 LEU A 73 6.548 -3.777 10.457 1.00 2.34 H new ATOM 0 HD21 LEU A 73 8.622 -3.542 12.714 1.00 1.97 H new ATOM 0 HD22 LEU A 73 8.166 -5.087 11.959 1.00 1.97 H new ATOM 0 HD23 LEU A 73 9.874 -4.590 12.005 1.00 1.97 H new ATOM 1194 N ARG A 74 9.856 -6.020 7.228 1.00 2.10 N ATOM 1195 CA ARG A 74 10.611 -6.988 6.439 1.00 2.39 C ATOM 1196 C ARG A 74 10.031 -8.379 6.653 1.00 2.58 C ATOM 1197 O ARG A 74 9.475 -8.981 5.734 1.00 2.82 O ATOM 1198 CB ARG A 74 12.097 -6.968 6.820 1.00 2.88 C ATOM 1199 CG ARG A 74 13.033 -7.190 5.641 1.00 2.99 C ATOM 1200 CD ARG A 74 13.306 -8.667 5.408 1.00 3.11 C ATOM 1201 NE ARG A 74 13.391 -8.991 3.985 1.00 3.20 N ATOM 1202 CZ ARG A 74 14.249 -9.868 3.461 1.00 3.72 C ATOM 1203 NH1 ARG A 74 15.128 -10.499 4.236 1.00 4.12 N ATOM 1204 NH2 ARG A 74 14.218 -10.121 2.160 1.00 4.33 N ATOM 0 H ARG A 74 9.138 -6.436 7.822 1.00 2.10 H new ATOM 0 HA ARG A 74 10.531 -6.719 5.386 1.00 2.39 H new ATOM 0 HB2 ARG A 74 12.331 -6.010 7.283 1.00 2.88 H new ATOM 0 HB3 ARG A 74 12.281 -7.738 7.569 1.00 2.88 H new ATOM 0 HG2 ARG A 74 12.595 -6.755 4.742 1.00 2.99 H new ATOM 0 HG3 ARG A 74 13.974 -6.670 5.821 1.00 2.99 H new ATOM 0 HD2 ARG A 74 14.238 -8.945 5.899 1.00 3.11 H new ATOM 0 HD3 ARG A 74 12.515 -9.259 5.868 1.00 3.11 H new ATOM 0 HE ARG A 74 12.751 -8.514 3.350 1.00 3.20 H new ATOM 0 HH11 ARG A 74 15.149 -10.314 5.239 1.00 4.12 H new ATOM 0 HH12 ARG A 74 15.780 -11.168 3.827 1.00 4.12 H new ATOM 0 HH21 ARG A 74 13.540 -9.646 1.564 1.00 4.33 H new ATOM 0 HH22 ARG A 74 14.872 -10.791 1.755 1.00 4.33 H new ATOM 1218 N GLY A 75 10.156 -8.878 7.875 1.00 2.94 N ATOM 1219 CA GLY A 75 9.617 -10.183 8.197 1.00 3.23 C ATOM 1220 C GLY A 75 8.136 -10.095 8.494 1.00 2.96 C ATOM 1221 O GLY A 75 7.402 -11.075 8.366 1.00 3.19 O ATOM 0 H GLY A 75 10.621 -8.402 8.648 1.00 2.94 H new ATOM 0 HA2 GLY A 75 9.785 -10.866 7.365 1.00 3.23 H new ATOM 0 HA3 GLY A 75 10.141 -10.595 9.059 1.00 3.23 H new ATOM 1225 N GLY A 76 7.708 -8.910 8.894 1.00 2.87 N ATOM 1226 CA GLY A 76 6.315 -8.671 9.197 1.00 2.77 C ATOM 1227 C GLY A 76 5.826 -7.399 8.541 1.00 2.78 C ATOM 1228 O GLY A 76 6.680 -6.532 8.232 1.00 3.13 O ATOM 0 H GLY A 76 8.312 -8.097 9.016 1.00 2.87 H new ATOM 0 HA2 GLY A 76 5.715 -9.514 8.855 1.00 2.77 H new ATOM 0 HA3 GLY A 76 6.181 -8.602 10.277 1.00 2.77 H new TER 1232 GLY A 76 ATOM 1233 N MET B 1 -4.577 -24.070 -0.707 1.00 0.61 N ATOM 1234 CA MET B 1 -5.531 -23.303 0.131 1.00 0.57 C ATOM 1235 C MET B 1 -5.954 -22.041 -0.600 1.00 0.53 C ATOM 1236 O MET B 1 -5.177 -21.466 -1.358 1.00 0.56 O ATOM 1237 CB MET B 1 -4.900 -22.954 1.484 1.00 0.59 C ATOM 1238 CG MET B 1 -3.767 -21.941 1.398 1.00 0.58 C ATOM 1239 SD MET B 1 -2.884 -21.750 2.958 1.00 0.63 S ATOM 1240 CE MET B 1 -1.752 -20.425 2.541 1.00 0.64 C ATOM 0 H1 MET B 1 -4.237 -24.898 -0.177 1.00 0.61 H new ATOM 0 H2 MET B 1 -5.054 -24.387 -1.575 1.00 0.61 H new ATOM 0 H3 MET B 1 -3.770 -23.464 -0.957 1.00 0.61 H new ATOM 0 HA MET B 1 -6.412 -23.918 0.317 1.00 0.57 H new ATOM 0 HB2 MET B 1 -5.674 -22.562 2.144 1.00 0.59 H new ATOM 0 HB3 MET B 1 -4.522 -23.868 1.943 1.00 0.59 H new ATOM 0 HG2 MET B 1 -3.065 -22.252 0.624 1.00 0.58 H new ATOM 0 HG3 MET B 1 -4.171 -20.975 1.093 1.00 0.58 H new ATOM 0 HE1 MET B 1 -1.018 -20.309 3.339 1.00 0.64 H new ATOM 0 HE2 MET B 1 -1.240 -20.664 1.609 1.00 0.64 H new ATOM 0 HE3 MET B 1 -2.308 -19.495 2.422 1.00 0.64 H new ATOM 1252 N GLN B 2 -7.180 -21.604 -0.379 1.00 0.59 N ATOM 1253 CA GLN B 2 -7.695 -20.423 -1.041 1.00 0.58 C ATOM 1254 C GLN B 2 -7.586 -19.206 -0.131 1.00 0.55 C ATOM 1255 O GLN B 2 -7.808 -19.298 1.078 1.00 0.63 O ATOM 1256 CB GLN B 2 -9.151 -20.668 -1.453 1.00 0.69 C ATOM 1257 CG GLN B 2 -9.951 -19.406 -1.727 1.00 1.50 C ATOM 1258 CD GLN B 2 -11.400 -19.705 -2.046 1.00 1.69 C ATOM 1259 OE1 GLN B 2 -11.778 -19.830 -3.211 1.00 1.60 O ATOM 1260 NE2 GLN B 2 -12.217 -19.837 -1.013 1.00 2.50 N ATOM 0 H GLN B 2 -7.839 -22.053 0.257 1.00 0.59 H new ATOM 0 HA GLN B 2 -7.101 -20.223 -1.933 1.00 0.58 H new ATOM 0 HB2 GLN B 2 -9.162 -21.291 -2.347 1.00 0.69 H new ATOM 0 HB3 GLN B 2 -9.648 -21.234 -0.665 1.00 0.69 H new ATOM 0 HG2 GLN B 2 -9.900 -18.750 -0.858 1.00 1.50 H new ATOM 0 HG3 GLN B 2 -9.501 -18.867 -2.561 1.00 1.50 H new ATOM 0 HE21 GLN B 2 -11.861 -19.725 -0.064 1.00 2.50 H new ATOM 0 HE22 GLN B 2 -13.203 -20.051 -1.166 1.00 2.50 H new ATOM 1269 N ILE B 3 -7.215 -18.079 -0.714 1.00 0.50 N ATOM 1270 CA ILE B 3 -7.083 -16.839 0.035 1.00 0.50 C ATOM 1271 C ILE B 3 -8.036 -15.785 -0.511 1.00 0.50 C ATOM 1272 O ILE B 3 -8.453 -15.855 -1.669 1.00 0.50 O ATOM 1273 CB ILE B 3 -5.642 -16.288 -0.006 1.00 0.50 C ATOM 1274 CG1 ILE B 3 -5.095 -16.327 -1.436 1.00 0.49 C ATOM 1275 CG2 ILE B 3 -4.748 -17.076 0.939 1.00 0.52 C ATOM 1276 CD1 ILE B 3 -3.832 -15.517 -1.628 1.00 0.55 C ATOM 0 H ILE B 3 -6.999 -17.996 -1.707 1.00 0.50 H new ATOM 0 HA ILE B 3 -7.333 -17.066 1.071 1.00 0.50 H new ATOM 0 HB ILE B 3 -5.655 -15.249 0.324 1.00 0.50 H new ATOM 0 HG12 ILE B 3 -4.897 -17.363 -1.711 1.00 0.49 H new ATOM 0 HG13 ILE B 3 -5.860 -15.957 -2.118 1.00 0.49 H new ATOM 0 HG21 ILE B 3 -3.735 -16.676 0.899 1.00 0.52 H new ATOM 0 HG22 ILE B 3 -5.131 -16.993 1.956 1.00 0.52 H new ATOM 0 HG23 ILE B 3 -4.736 -18.124 0.640 1.00 0.52 H new ATOM 0 HD11 ILE B 3 -3.505 -15.593 -2.665 1.00 0.55 H new ATOM 0 HD12 ILE B 3 -4.029 -14.473 -1.385 1.00 0.55 H new ATOM 0 HD13 ILE B 3 -3.050 -15.901 -0.972 1.00 0.55 H new ATOM 1288 N PHE B 4 -8.380 -14.818 0.326 1.00 0.54 N ATOM 1289 CA PHE B 4 -9.285 -13.748 -0.067 1.00 0.58 C ATOM 1290 C PHE B 4 -8.520 -12.440 -0.198 1.00 0.56 C ATOM 1291 O PHE B 4 -8.017 -11.907 0.785 1.00 0.56 O ATOM 1292 CB PHE B 4 -10.410 -13.594 0.961 1.00 0.65 C ATOM 1293 CG PHE B 4 -11.541 -14.571 0.785 1.00 0.72 C ATOM 1294 CD1 PHE B 4 -11.341 -15.929 0.972 1.00 1.13 C ATOM 1295 CD2 PHE B 4 -12.806 -14.126 0.438 1.00 1.07 C ATOM 1296 CE1 PHE B 4 -12.381 -16.826 0.815 1.00 1.24 C ATOM 1297 CE2 PHE B 4 -13.851 -15.018 0.281 1.00 1.13 C ATOM 1298 CZ PHE B 4 -13.638 -16.369 0.469 1.00 0.96 C ATOM 0 H PHE B 4 -8.044 -14.752 1.287 1.00 0.54 H new ATOM 0 HA PHE B 4 -9.725 -14.002 -1.031 1.00 0.58 H new ATOM 0 HB2 PHE B 4 -9.993 -13.714 1.961 1.00 0.65 H new ATOM 0 HB3 PHE B 4 -10.807 -12.581 0.900 1.00 0.65 H new ATOM 0 HD1 PHE B 4 -10.361 -16.291 1.244 1.00 1.13 H new ATOM 0 HD2 PHE B 4 -12.978 -13.070 0.288 1.00 1.07 H new ATOM 0 HE1 PHE B 4 -12.211 -17.882 0.963 1.00 1.24 H new ATOM 0 HE2 PHE B 4 -14.833 -14.658 0.012 1.00 1.13 H new ATOM 0 HZ PHE B 4 -14.453 -17.067 0.346 1.00 0.96 H new ATOM 1308 N VAL B 5 -8.429 -11.925 -1.407 1.00 0.54 N ATOM 1309 CA VAL B 5 -7.718 -10.682 -1.648 1.00 0.54 C ATOM 1310 C VAL B 5 -8.712 -9.556 -1.901 1.00 0.55 C ATOM 1311 O VAL B 5 -9.388 -9.533 -2.927 1.00 0.55 O ATOM 1312 CB VAL B 5 -6.762 -10.799 -2.854 1.00 0.54 C ATOM 1313 CG1 VAL B 5 -5.815 -9.612 -2.908 1.00 0.55 C ATOM 1314 CG2 VAL B 5 -5.981 -12.105 -2.808 1.00 0.57 C ATOM 0 H VAL B 5 -8.838 -12.347 -2.240 1.00 0.54 H new ATOM 0 HA VAL B 5 -7.124 -10.463 -0.760 1.00 0.54 H new ATOM 0 HB VAL B 5 -7.366 -10.798 -3.761 1.00 0.54 H new ATOM 0 HG11 VAL B 5 -5.150 -9.715 -3.766 1.00 0.55 H new ATOM 0 HG12 VAL B 5 -6.391 -8.691 -3.004 1.00 0.55 H new ATOM 0 HG13 VAL B 5 -5.224 -9.576 -1.993 1.00 0.55 H new ATOM 0 HG21 VAL B 5 -5.315 -12.161 -3.669 1.00 0.57 H new ATOM 0 HG22 VAL B 5 -5.393 -12.145 -1.891 1.00 0.57 H new ATOM 0 HG23 VAL B 5 -6.675 -12.945 -2.830 1.00 0.57 H new ATOM 1324 N LYS B 6 -8.820 -8.638 -0.955 1.00 0.57 N ATOM 1325 CA LYS B 6 -9.743 -7.521 -1.087 1.00 0.59 C ATOM 1326 C LYS B 6 -8.988 -6.203 -1.211 1.00 0.77 C ATOM 1327 O LYS B 6 -8.060 -5.934 -0.447 1.00 0.89 O ATOM 1328 CB LYS B 6 -10.700 -7.471 0.109 1.00 0.59 C ATOM 1329 CG LYS B 6 -11.638 -8.666 0.187 1.00 0.89 C ATOM 1330 CD LYS B 6 -12.637 -8.531 1.326 1.00 1.36 C ATOM 1331 CE LYS B 6 -13.635 -9.678 1.323 1.00 1.66 C ATOM 1332 NZ LYS B 6 -14.720 -9.478 2.319 1.00 2.10 N ATOM 0 H LYS B 6 -8.282 -8.643 -0.089 1.00 0.57 H new ATOM 0 HA LYS B 6 -10.325 -7.670 -1.996 1.00 0.59 H new ATOM 0 HB2 LYS B 6 -10.117 -7.416 1.028 1.00 0.59 H new ATOM 0 HB3 LYS B 6 -11.292 -6.558 0.052 1.00 0.59 H new ATOM 0 HG2 LYS B 6 -12.175 -8.768 -0.756 1.00 0.89 H new ATOM 0 HG3 LYS B 6 -11.055 -9.577 0.322 1.00 0.89 H new ATOM 0 HD2 LYS B 6 -12.106 -8.510 2.278 1.00 1.36 H new ATOM 0 HD3 LYS B 6 -13.168 -7.583 1.237 1.00 1.36 H new ATOM 0 HE2 LYS B 6 -14.070 -9.777 0.329 1.00 1.66 H new ATOM 0 HE3 LYS B 6 -13.114 -10.611 1.537 1.00 1.66 H new ATOM 0 HZ1 LYS B 6 -15.377 -10.283 2.283 1.00 2.10 H new ATOM 0 HZ2 LYS B 6 -14.308 -9.410 3.272 1.00 2.10 H new ATOM 0 HZ3 LYS B 6 -15.234 -8.601 2.100 1.00 2.10 H new ATOM 1346 N THR B 7 -9.378 -5.395 -2.184 1.00 0.98 N ATOM 1347 CA THR B 7 -8.748 -4.106 -2.399 1.00 1.24 C ATOM 1348 C THR B 7 -9.628 -2.993 -1.834 1.00 1.28 C ATOM 1349 O THR B 7 -10.823 -3.197 -1.602 1.00 1.19 O ATOM 1350 CB THR B 7 -8.469 -3.855 -3.901 1.00 1.42 C ATOM 1351 OG1 THR B 7 -7.762 -2.625 -4.080 1.00 2.41 O ATOM 1352 CG2 THR B 7 -9.757 -3.814 -4.703 1.00 1.57 C ATOM 0 H THR B 7 -10.130 -5.612 -2.838 1.00 0.98 H new ATOM 0 HA THR B 7 -7.791 -4.109 -1.878 1.00 1.24 H new ATOM 0 HB THR B 7 -7.859 -4.683 -4.262 1.00 1.42 H new ATOM 0 HG1 THR B 7 -6.972 -2.614 -3.500 1.00 2.41 H new ATOM 0 HG21 THR B 7 -9.526 -3.636 -5.753 1.00 1.57 H new ATOM 0 HG22 THR B 7 -10.279 -4.766 -4.602 1.00 1.57 H new ATOM 0 HG23 THR B 7 -10.392 -3.011 -4.330 1.00 1.57 H new ATOM 1360 N LEU B 8 -9.040 -1.820 -1.618 1.00 1.48 N ATOM 1361 CA LEU B 8 -9.770 -0.677 -1.075 1.00 1.61 C ATOM 1362 C LEU B 8 -10.835 -0.204 -2.062 1.00 1.52 C ATOM 1363 O LEU B 8 -11.820 0.430 -1.678 1.00 1.55 O ATOM 1364 CB LEU B 8 -8.800 0.463 -0.744 1.00 1.99 C ATOM 1365 CG LEU B 8 -9.442 1.718 -0.141 1.00 2.60 C ATOM 1366 CD1 LEU B 8 -10.023 1.419 1.230 1.00 2.87 C ATOM 1367 CD2 LEU B 8 -8.430 2.848 -0.049 1.00 3.45 C ATOM 0 H LEU B 8 -8.056 -1.635 -1.811 1.00 1.48 H new ATOM 0 HA LEU B 8 -10.268 -0.987 -0.157 1.00 1.61 H new ATOM 0 HB2 LEU B 8 -8.050 0.089 -0.047 1.00 1.99 H new ATOM 0 HB3 LEU B 8 -8.274 0.747 -1.656 1.00 1.99 H new ATOM 0 HG LEU B 8 -10.252 2.032 -0.799 1.00 2.60 H new ATOM 0 HD11 LEU B 8 -10.473 2.323 1.639 1.00 2.87 H new ATOM 0 HD12 LEU B 8 -10.783 0.643 1.142 1.00 2.87 H new ATOM 0 HD13 LEU B 8 -9.230 1.076 1.894 1.00 2.87 H new ATOM 0 HD21 LEU B 8 -8.906 3.729 0.381 1.00 3.45 H new ATOM 0 HD22 LEU B 8 -7.597 2.540 0.583 1.00 3.45 H new ATOM 0 HD23 LEU B 8 -8.059 3.087 -1.046 1.00 3.45 H new ATOM 1379 N THR B 9 -10.632 -0.521 -3.335 1.00 1.49 N ATOM 1380 CA THR B 9 -11.572 -0.149 -4.381 1.00 1.52 C ATOM 1381 C THR B 9 -12.876 -0.941 -4.258 1.00 1.33 C ATOM 1382 O THR B 9 -13.920 -0.521 -4.757 1.00 1.63 O ATOM 1383 CB THR B 9 -10.948 -0.386 -5.765 1.00 1.73 C ATOM 1384 OG1 THR B 9 -9.522 -0.484 -5.629 1.00 1.99 O ATOM 1385 CG2 THR B 9 -11.295 0.749 -6.718 1.00 1.90 C ATOM 0 H THR B 9 -9.818 -1.038 -3.668 1.00 1.49 H new ATOM 0 HA THR B 9 -11.801 0.910 -4.265 1.00 1.52 H new ATOM 0 HB THR B 9 -11.348 -1.313 -6.177 1.00 1.73 H new ATOM 0 HG1 THR B 9 -9.119 -0.637 -6.509 1.00 1.99 H new ATOM 0 HG21 THR B 9 -10.842 0.559 -7.691 1.00 1.90 H new ATOM 0 HG22 THR B 9 -12.378 0.814 -6.828 1.00 1.90 H new ATOM 0 HG23 THR B 9 -10.914 1.689 -6.318 1.00 1.90 H new ATOM 1393 N GLY B 10 -12.811 -2.087 -3.586 1.00 0.95 N ATOM 1394 CA GLY B 10 -13.996 -2.904 -3.401 1.00 0.85 C ATOM 1395 C GLY B 10 -13.905 -4.261 -4.077 1.00 0.94 C ATOM 1396 O GLY B 10 -14.584 -5.207 -3.676 1.00 1.62 O ATOM 0 H GLY B 10 -11.960 -2.463 -3.167 1.00 0.95 H new ATOM 0 HA2 GLY B 10 -14.166 -3.049 -2.334 1.00 0.85 H new ATOM 0 HA3 GLY B 10 -14.862 -2.369 -3.792 1.00 0.85 H new ATOM 1400 N LYS B 11 -13.066 -4.358 -5.100 1.00 0.95 N ATOM 1401 CA LYS B 11 -12.895 -5.606 -5.839 1.00 0.97 C ATOM 1402 C LYS B 11 -12.346 -6.717 -4.940 1.00 0.86 C ATOM 1403 O LYS B 11 -11.460 -6.488 -4.112 1.00 0.85 O ATOM 1404 CB LYS B 11 -11.964 -5.385 -7.037 1.00 1.16 C ATOM 1405 CG LYS B 11 -11.854 -6.586 -7.965 1.00 1.35 C ATOM 1406 CD LYS B 11 -13.195 -6.930 -8.590 1.00 1.35 C ATOM 1407 CE LYS B 11 -13.082 -8.083 -9.573 1.00 1.46 C ATOM 1408 NZ LYS B 11 -12.473 -9.293 -8.957 1.00 1.62 N ATOM 0 H LYS B 11 -12.491 -3.587 -5.439 1.00 0.95 H new ATOM 0 HA LYS B 11 -13.874 -5.921 -6.199 1.00 0.97 H new ATOM 0 HB2 LYS B 11 -12.321 -4.529 -7.609 1.00 1.16 H new ATOM 0 HB3 LYS B 11 -10.970 -5.130 -6.669 1.00 1.16 H new ATOM 0 HG2 LYS B 11 -11.128 -6.375 -8.751 1.00 1.35 H new ATOM 0 HG3 LYS B 11 -11.480 -7.445 -7.408 1.00 1.35 H new ATOM 0 HD2 LYS B 11 -13.905 -7.190 -7.805 1.00 1.35 H new ATOM 0 HD3 LYS B 11 -13.592 -6.054 -9.102 1.00 1.35 H new ATOM 0 HE2 LYS B 11 -14.073 -8.331 -9.954 1.00 1.46 H new ATOM 0 HE3 LYS B 11 -12.481 -7.771 -10.427 1.00 1.46 H new ATOM 0 HZ1 LYS B 11 -12.900 -10.146 -9.372 1.00 1.62 H new ATOM 0 HZ2 LYS B 11 -11.449 -9.296 -9.137 1.00 1.62 H new ATOM 0 HZ3 LYS B 11 -12.644 -9.284 -7.931 1.00 1.62 H new ATOM 1422 N THR B 12 -12.889 -7.916 -5.107 1.00 0.80 N ATOM 1423 CA THR B 12 -12.470 -9.074 -4.335 1.00 0.72 C ATOM 1424 C THR B 12 -11.933 -10.159 -5.266 1.00 0.71 C ATOM 1425 O THR B 12 -12.530 -10.443 -6.306 1.00 0.85 O ATOM 1426 CB THR B 12 -13.642 -9.638 -3.510 1.00 0.76 C ATOM 1427 OG1 THR B 12 -14.282 -8.574 -2.788 1.00 0.93 O ATOM 1428 CG2 THR B 12 -13.164 -10.710 -2.539 1.00 0.69 C ATOM 0 H THR B 12 -13.630 -8.111 -5.780 1.00 0.80 H new ATOM 0 HA THR B 12 -11.682 -8.758 -3.651 1.00 0.72 H new ATOM 0 HB THR B 12 -14.355 -10.095 -4.196 1.00 0.76 H new ATOM 0 HG1 THR B 12 -15.028 -8.936 -2.266 1.00 0.93 H new ATOM 0 HG21 THR B 12 -14.013 -11.090 -1.970 1.00 0.69 H new ATOM 0 HG22 THR B 12 -12.705 -11.527 -3.096 1.00 0.69 H new ATOM 0 HG23 THR B 12 -12.432 -10.281 -1.855 1.00 0.69 H new ATOM 1436 N ILE B 13 -10.792 -10.731 -4.908 1.00 0.60 N ATOM 1437 CA ILE B 13 -10.170 -11.781 -5.708 1.00 0.59 C ATOM 1438 C ILE B 13 -9.879 -13.011 -4.851 1.00 0.56 C ATOM 1439 O ILE B 13 -9.406 -12.888 -3.724 1.00 0.55 O ATOM 1440 CB ILE B 13 -8.842 -11.302 -6.338 1.00 0.60 C ATOM 1441 CG1 ILE B 13 -8.930 -9.827 -6.741 1.00 0.65 C ATOM 1442 CG2 ILE B 13 -8.484 -12.162 -7.542 1.00 0.65 C ATOM 1443 CD1 ILE B 13 -7.584 -9.183 -6.994 1.00 0.70 C ATOM 0 H ILE B 13 -10.274 -10.485 -4.064 1.00 0.60 H new ATOM 0 HA ILE B 13 -10.874 -12.034 -6.501 1.00 0.59 H new ATOM 0 HB ILE B 13 -8.055 -11.404 -5.591 1.00 0.60 H new ATOM 0 HG12 ILE B 13 -9.539 -9.741 -7.641 1.00 0.65 H new ATOM 0 HG13 ILE B 13 -9.445 -9.275 -5.955 1.00 0.65 H new ATOM 0 HG21 ILE B 13 -7.547 -11.811 -7.974 1.00 0.65 H new ATOM 0 HG22 ILE B 13 -8.373 -13.200 -7.228 1.00 0.65 H new ATOM 0 HG23 ILE B 13 -9.276 -12.091 -8.288 1.00 0.65 H new ATOM 0 HD11 ILE B 13 -7.727 -8.139 -7.275 1.00 0.70 H new ATOM 0 HD12 ILE B 13 -6.979 -9.236 -6.089 1.00 0.70 H new ATOM 0 HD13 ILE B 13 -7.075 -9.709 -7.801 1.00 0.70 H new ATOM 1455 N THR B 14 -10.175 -14.188 -5.378 1.00 0.57 N ATOM 1456 CA THR B 14 -9.913 -15.428 -4.667 1.00 0.57 C ATOM 1457 C THR B 14 -9.032 -16.331 -5.523 1.00 0.55 C ATOM 1458 O THR B 14 -9.273 -16.476 -6.724 1.00 0.64 O ATOM 1459 CB THR B 14 -11.219 -16.160 -4.306 1.00 0.69 C ATOM 1460 OG1 THR B 14 -12.216 -15.913 -5.307 1.00 0.92 O ATOM 1461 CG2 THR B 14 -11.736 -15.707 -2.949 1.00 1.13 C ATOM 0 H THR B 14 -10.598 -14.310 -6.298 1.00 0.57 H new ATOM 0 HA THR B 14 -9.400 -15.184 -3.737 1.00 0.57 H new ATOM 0 HB THR B 14 -11.008 -17.228 -4.260 1.00 0.69 H new ATOM 0 HG1 THR B 14 -13.042 -16.384 -5.069 1.00 0.92 H new ATOM 0 HG21 THR B 14 -12.659 -16.238 -2.716 1.00 1.13 H new ATOM 0 HG22 THR B 14 -10.990 -15.924 -2.185 1.00 1.13 H new ATOM 0 HG23 THR B 14 -11.930 -14.635 -2.973 1.00 1.13 H new ATOM 1469 N LEU B 15 -8.006 -16.917 -4.917 1.00 0.50 N ATOM 1470 CA LEU B 15 -7.083 -17.783 -5.647 1.00 0.54 C ATOM 1471 C LEU B 15 -6.581 -18.927 -4.774 1.00 0.53 C ATOM 1472 O LEU B 15 -6.657 -18.862 -3.544 1.00 0.54 O ATOM 1473 CB LEU B 15 -5.885 -16.974 -6.151 1.00 0.60 C ATOM 1474 CG LEU B 15 -6.176 -16.006 -7.298 1.00 0.78 C ATOM 1475 CD1 LEU B 15 -5.192 -14.850 -7.278 1.00 1.42 C ATOM 1476 CD2 LEU B 15 -6.116 -16.731 -8.633 1.00 0.72 C ATOM 0 H LEU B 15 -7.791 -16.810 -3.926 1.00 0.50 H new ATOM 0 HA LEU B 15 -7.629 -18.204 -6.491 1.00 0.54 H new ATOM 0 HB2 LEU B 15 -5.476 -16.406 -5.315 1.00 0.60 H new ATOM 0 HB3 LEU B 15 -5.110 -17.669 -6.474 1.00 0.60 H new ATOM 0 HG LEU B 15 -7.182 -15.607 -7.167 1.00 0.78 H new ATOM 0 HD11 LEU B 15 -5.413 -14.170 -8.101 1.00 1.42 H new ATOM 0 HD12 LEU B 15 -5.278 -14.315 -6.332 1.00 1.42 H new ATOM 0 HD13 LEU B 15 -4.178 -15.234 -7.387 1.00 1.42 H new ATOM 0 HD21 LEU B 15 -6.326 -16.028 -9.439 1.00 0.72 H new ATOM 0 HD22 LEU B 15 -5.122 -17.156 -8.772 1.00 0.72 H new ATOM 0 HD23 LEU B 15 -6.857 -17.530 -8.647 1.00 0.72 H new ATOM 1488 N GLU B 16 -6.070 -19.967 -5.428 1.00 0.55 N ATOM 1489 CA GLU B 16 -5.528 -21.133 -4.742 1.00 0.55 C ATOM 1490 C GLU B 16 -4.011 -21.009 -4.638 1.00 0.53 C ATOM 1491 O GLU B 16 -3.304 -20.982 -5.647 1.00 0.54 O ATOM 1492 CB GLU B 16 -5.898 -22.421 -5.486 1.00 0.62 C ATOM 1493 CG GLU B 16 -6.948 -23.263 -4.776 1.00 1.06 C ATOM 1494 CD GLU B 16 -6.443 -23.872 -3.481 1.00 1.22 C ATOM 1495 OE1 GLU B 16 -5.244 -24.219 -3.399 1.00 1.68 O ATOM 1496 OE2 GLU B 16 -7.244 -24.021 -2.536 1.00 1.71 O ATOM 0 H GLU B 16 -6.021 -20.024 -6.445 1.00 0.55 H new ATOM 0 HA GLU B 16 -5.957 -21.179 -3.741 1.00 0.55 H new ATOM 0 HB2 GLU B 16 -6.265 -22.163 -6.479 1.00 0.62 H new ATOM 0 HB3 GLU B 16 -4.998 -23.020 -5.624 1.00 0.62 H new ATOM 0 HG2 GLU B 16 -7.820 -22.644 -4.564 1.00 1.06 H new ATOM 0 HG3 GLU B 16 -7.277 -24.061 -5.442 1.00 1.06 H new ATOM 1503 N VAL B 17 -3.526 -20.917 -3.415 1.00 0.54 N ATOM 1504 CA VAL B 17 -2.100 -20.781 -3.160 1.00 0.54 C ATOM 1505 C VAL B 17 -1.615 -21.832 -2.170 1.00 0.56 C ATOM 1506 O VAL B 17 -2.407 -22.403 -1.414 1.00 0.57 O ATOM 1507 CB VAL B 17 -1.759 -19.386 -2.600 1.00 0.57 C ATOM 1508 CG1 VAL B 17 -1.953 -18.315 -3.660 1.00 0.62 C ATOM 1509 CG2 VAL B 17 -2.604 -19.085 -1.373 1.00 0.58 C ATOM 0 H VAL B 17 -4.102 -20.934 -2.574 1.00 0.54 H new ATOM 0 HA VAL B 17 -1.597 -20.920 -4.117 1.00 0.54 H new ATOM 0 HB VAL B 17 -0.709 -19.384 -2.306 1.00 0.57 H new ATOM 0 HG11 VAL B 17 -1.706 -17.339 -3.241 1.00 0.62 H new ATOM 0 HG12 VAL B 17 -1.301 -18.521 -4.509 1.00 0.62 H new ATOM 0 HG13 VAL B 17 -2.991 -18.315 -3.992 1.00 0.62 H new ATOM 0 HG21 VAL B 17 -2.351 -18.096 -0.990 1.00 0.58 H new ATOM 0 HG22 VAL B 17 -3.660 -19.110 -1.643 1.00 0.58 H new ATOM 0 HG23 VAL B 17 -2.409 -19.833 -0.604 1.00 0.58 H new ATOM 1519 N GLU B 18 -0.316 -22.099 -2.192 1.00 0.59 N ATOM 1520 CA GLU B 18 0.285 -23.061 -1.284 1.00 0.65 C ATOM 1521 C GLU B 18 0.891 -22.322 -0.097 1.00 0.68 C ATOM 1522 O GLU B 18 1.252 -21.153 -0.218 1.00 0.70 O ATOM 1523 CB GLU B 18 1.379 -23.858 -2.004 1.00 0.73 C ATOM 1524 CG GLU B 18 0.966 -24.379 -3.372 1.00 1.05 C ATOM 1525 CD GLU B 18 2.154 -24.764 -4.231 1.00 1.91 C ATOM 1526 OE1 GLU B 18 2.745 -25.840 -3.993 1.00 2.32 O ATOM 1527 OE2 GLU B 18 2.505 -23.990 -5.149 1.00 2.71 O ATOM 0 H GLU B 18 0.343 -21.659 -2.834 1.00 0.59 H new ATOM 0 HA GLU B 18 -0.483 -23.752 -0.936 1.00 0.65 H new ATOM 0 HB2 GLU B 18 2.259 -23.226 -2.118 1.00 0.73 H new ATOM 0 HB3 GLU B 18 1.671 -24.701 -1.378 1.00 0.73 H new ATOM 0 HG2 GLU B 18 0.317 -25.246 -3.246 1.00 1.05 H new ATOM 0 HG3 GLU B 18 0.382 -23.616 -3.887 1.00 1.05 H new ATOM 1534 N PRO B 19 1.010 -22.976 1.067 1.00 0.79 N ATOM 1535 CA PRO B 19 1.596 -22.349 2.259 1.00 0.90 C ATOM 1536 C PRO B 19 3.036 -21.897 2.019 1.00 0.88 C ATOM 1537 O PRO B 19 3.483 -20.892 2.573 1.00 0.99 O ATOM 1538 CB PRO B 19 1.551 -23.463 3.310 1.00 1.03 C ATOM 1539 CG PRO B 19 0.492 -24.393 2.832 1.00 1.09 C ATOM 1540 CD PRO B 19 0.567 -24.354 1.333 1.00 0.88 C ATOM 0 HA PRO B 19 1.057 -21.449 2.555 1.00 0.90 H new ATOM 0 HB2 PRO B 19 2.513 -23.968 3.393 1.00 1.03 H new ATOM 0 HB3 PRO B 19 1.313 -23.066 4.297 1.00 1.03 H new ATOM 0 HG2 PRO B 19 0.659 -25.403 3.207 1.00 1.09 H new ATOM 0 HG3 PRO B 19 -0.491 -24.081 3.184 1.00 1.09 H new ATOM 0 HD2 PRO B 19 1.272 -25.088 0.944 1.00 0.88 H new ATOM 0 HD3 PRO B 19 -0.399 -24.565 0.874 1.00 0.88 H new ATOM 1548 N SER B 20 3.756 -22.644 1.190 1.00 0.82 N ATOM 1549 CA SER B 20 5.141 -22.326 0.874 1.00 0.88 C ATOM 1550 C SER B 20 5.255 -21.439 -0.369 1.00 0.86 C ATOM 1551 O SER B 20 6.350 -21.257 -0.909 1.00 0.90 O ATOM 1552 CB SER B 20 5.916 -23.625 0.653 1.00 0.92 C ATOM 1553 OG SER B 20 5.161 -24.740 1.105 1.00 0.87 O ATOM 0 H SER B 20 3.400 -23.478 0.723 1.00 0.82 H new ATOM 0 HA SER B 20 5.561 -21.771 1.713 1.00 0.88 H new ATOM 0 HB2 SER B 20 6.148 -23.741 -0.406 1.00 0.92 H new ATOM 0 HB3 SER B 20 6.867 -23.583 1.185 1.00 0.92 H new ATOM 0 HG SER B 20 5.671 -25.563 0.954 1.00 0.87 H new ATOM 1559 N ASP B 21 4.133 -20.892 -0.830 1.00 0.81 N ATOM 1560 CA ASP B 21 4.143 -20.034 -2.009 1.00 0.80 C ATOM 1561 C ASP B 21 4.819 -18.706 -1.692 1.00 0.82 C ATOM 1562 O ASP B 21 4.937 -18.319 -0.526 1.00 0.83 O ATOM 1563 CB ASP B 21 2.714 -19.797 -2.512 1.00 0.75 C ATOM 1564 CG ASP B 21 2.665 -19.339 -3.956 1.00 0.91 C ATOM 1565 OD1 ASP B 21 3.675 -19.505 -4.668 1.00 1.10 O ATOM 1566 OD2 ASP B 21 1.609 -18.833 -4.392 1.00 1.08 O ATOM 0 H ASP B 21 3.214 -21.026 -0.409 1.00 0.81 H new ATOM 0 HA ASP B 21 4.708 -20.534 -2.795 1.00 0.80 H new ATOM 0 HB2 ASP B 21 2.140 -20.718 -2.409 1.00 0.75 H new ATOM 0 HB3 ASP B 21 2.232 -19.049 -1.882 1.00 0.75 H new ATOM 1571 N THR B 22 5.244 -18.007 -2.728 1.00 0.85 N ATOM 1572 CA THR B 22 5.920 -16.732 -2.570 1.00 0.89 C ATOM 1573 C THR B 22 4.932 -15.586 -2.782 1.00 0.79 C ATOM 1574 O THR B 22 4.019 -15.701 -3.600 1.00 0.73 O ATOM 1575 CB THR B 22 7.085 -16.609 -3.576 1.00 1.01 C ATOM 1576 OG1 THR B 22 7.806 -17.852 -3.649 1.00 1.11 O ATOM 1577 CG2 THR B 22 8.041 -15.496 -3.179 1.00 1.20 C ATOM 0 H THR B 22 5.132 -18.304 -3.697 1.00 0.85 H new ATOM 0 HA THR B 22 6.323 -16.677 -1.559 1.00 0.89 H new ATOM 0 HB THR B 22 6.660 -16.370 -4.551 1.00 1.01 H new ATOM 0 HG1 THR B 22 8.542 -17.766 -4.290 1.00 1.11 H new ATOM 0 HG21 THR B 22 8.850 -15.435 -3.907 1.00 1.20 H new ATOM 0 HG22 THR B 22 7.504 -14.548 -3.152 1.00 1.20 H new ATOM 0 HG23 THR B 22 8.455 -15.706 -2.193 1.00 1.20 H new ATOM 1585 N ILE B 23 5.108 -14.489 -2.043 1.00 0.80 N ATOM 1586 CA ILE B 23 4.224 -13.329 -2.165 1.00 0.73 C ATOM 1587 C ILE B 23 4.178 -12.837 -3.612 1.00 0.72 C ATOM 1588 O ILE B 23 3.118 -12.482 -4.132 1.00 0.66 O ATOM 1589 CB ILE B 23 4.684 -12.175 -1.242 1.00 0.78 C ATOM 1590 CG1 ILE B 23 4.650 -12.614 0.229 1.00 0.87 C ATOM 1591 CG2 ILE B 23 3.824 -10.934 -1.451 1.00 0.70 C ATOM 1592 CD1 ILE B 23 3.274 -13.017 0.719 1.00 0.80 C ATOM 0 H ILE B 23 5.853 -14.380 -1.355 1.00 0.80 H new ATOM 0 HA ILE B 23 3.226 -13.644 -1.860 1.00 0.73 H new ATOM 0 HB ILE B 23 5.712 -11.922 -1.503 1.00 0.78 H new ATOM 0 HG12 ILE B 23 5.333 -13.453 0.363 1.00 0.87 H new ATOM 0 HG13 ILE B 23 5.021 -11.799 0.850 1.00 0.87 H new ATOM 0 HG21 ILE B 23 4.168 -10.138 -0.791 1.00 0.70 H new ATOM 0 HG22 ILE B 23 3.904 -10.606 -2.487 1.00 0.70 H new ATOM 0 HG23 ILE B 23 2.784 -11.170 -1.225 1.00 0.70 H new ATOM 0 HD11 ILE B 23 3.333 -13.314 1.766 1.00 0.80 H new ATOM 0 HD12 ILE B 23 2.591 -12.174 0.619 1.00 0.80 H new ATOM 0 HD13 ILE B 23 2.907 -13.854 0.125 1.00 0.80 H new ATOM 1604 N GLU B 24 5.335 -12.844 -4.255 1.00 0.80 N ATOM 1605 CA GLU B 24 5.454 -12.418 -5.641 1.00 0.84 C ATOM 1606 C GLU B 24 4.694 -13.373 -6.570 1.00 0.80 C ATOM 1607 O GLU B 24 4.115 -12.953 -7.574 1.00 0.80 O ATOM 1608 CB GLU B 24 6.940 -12.336 -6.018 1.00 0.98 C ATOM 1609 CG GLU B 24 7.232 -12.519 -7.496 1.00 1.20 C ATOM 1610 CD GLU B 24 7.932 -13.828 -7.780 1.00 2.26 C ATOM 1611 OE1 GLU B 24 9.180 -13.864 -7.751 1.00 2.73 O ATOM 1612 OE2 GLU B 24 7.242 -14.835 -8.033 1.00 3.05 O ATOM 0 H GLU B 24 6.214 -13.144 -3.834 1.00 0.80 H new ATOM 0 HA GLU B 24 5.007 -11.431 -5.757 1.00 0.84 H new ATOM 0 HB2 GLU B 24 7.328 -11.367 -5.703 1.00 0.98 H new ATOM 0 HB3 GLU B 24 7.485 -13.095 -5.457 1.00 0.98 H new ATOM 0 HG2 GLU B 24 6.298 -12.479 -8.057 1.00 1.20 H new ATOM 0 HG3 GLU B 24 7.851 -11.694 -7.848 1.00 1.20 H new ATOM 1619 N ASN B 25 4.659 -14.652 -6.205 1.00 0.80 N ATOM 1620 CA ASN B 25 3.978 -15.657 -7.016 1.00 0.79 C ATOM 1621 C ASN B 25 2.467 -15.518 -6.895 1.00 0.71 C ATOM 1622 O ASN B 25 1.719 -15.955 -7.773 1.00 0.72 O ATOM 1623 CB ASN B 25 4.411 -17.068 -6.619 1.00 0.80 C ATOM 1624 CG ASN B 25 4.130 -18.083 -7.710 1.00 0.84 C ATOM 1625 OD1 ASN B 25 4.177 -17.766 -8.903 1.00 1.06 O ATOM 1626 ND2 ASN B 25 3.837 -19.310 -7.315 1.00 1.12 N ATOM 0 H ASN B 25 5.092 -15.016 -5.356 1.00 0.80 H new ATOM 0 HA ASN B 25 4.260 -15.490 -8.056 1.00 0.79 H new ATOM 0 HB2 ASN B 25 5.477 -17.068 -6.391 1.00 0.80 H new ATOM 0 HB3 ASN B 25 3.890 -17.363 -5.708 1.00 0.80 H new ATOM 0 HD21 ASN B 25 3.640 -20.035 -8.005 1.00 1.12 H new ATOM 0 HD22 ASN B 25 3.808 -19.532 -6.320 1.00 1.12 H new ATOM 1633 N VAL B 26 2.012 -14.926 -5.797 1.00 0.67 N ATOM 1634 CA VAL B 26 0.588 -14.700 -5.595 1.00 0.60 C ATOM 1635 C VAL B 26 0.118 -13.653 -6.592 1.00 0.58 C ATOM 1636 O VAL B 26 -0.951 -13.771 -7.192 1.00 0.58 O ATOM 1637 CB VAL B 26 0.273 -14.217 -4.162 1.00 0.58 C ATOM 1638 CG1 VAL B 26 -1.220 -13.983 -3.984 1.00 0.53 C ATOM 1639 CG2 VAL B 26 0.778 -15.216 -3.139 1.00 0.62 C ATOM 0 H VAL B 26 2.606 -14.596 -5.037 1.00 0.67 H new ATOM 0 HA VAL B 26 0.068 -15.646 -5.744 1.00 0.60 H new ATOM 0 HB VAL B 26 0.788 -13.269 -4.004 1.00 0.58 H new ATOM 0 HG11 VAL B 26 -1.416 -13.643 -2.967 1.00 0.53 H new ATOM 0 HG12 VAL B 26 -1.556 -13.225 -4.691 1.00 0.53 H new ATOM 0 HG13 VAL B 26 -1.758 -14.913 -4.166 1.00 0.53 H new ATOM 0 HG21 VAL B 26 0.547 -14.858 -2.136 1.00 0.62 H new ATOM 0 HG22 VAL B 26 0.294 -16.179 -3.301 1.00 0.62 H new ATOM 0 HG23 VAL B 26 1.857 -15.330 -3.244 1.00 0.62 H new ATOM 1649 N LYS B 27 0.960 -12.646 -6.784 1.00 0.60 N ATOM 1650 CA LYS B 27 0.675 -11.569 -7.716 1.00 0.60 C ATOM 1651 C LYS B 27 0.647 -12.101 -9.138 1.00 0.62 C ATOM 1652 O LYS B 27 -0.117 -11.623 -9.977 1.00 0.61 O ATOM 1653 CB LYS B 27 1.728 -10.474 -7.590 1.00 0.64 C ATOM 1654 CG LYS B 27 1.808 -9.873 -6.202 1.00 0.59 C ATOM 1655 CD LYS B 27 2.907 -8.834 -6.123 1.00 0.66 C ATOM 1656 CE LYS B 27 2.961 -8.178 -4.757 1.00 0.96 C ATOM 1657 NZ LYS B 27 4.037 -7.162 -4.689 1.00 0.99 N ATOM 0 H LYS B 27 1.853 -12.555 -6.300 1.00 0.60 H new ATOM 0 HA LYS B 27 -0.302 -11.149 -7.477 1.00 0.60 H new ATOM 0 HB2 LYS B 27 2.702 -10.884 -7.857 1.00 0.64 H new ATOM 0 HB3 LYS B 27 1.508 -9.684 -8.308 1.00 0.64 H new ATOM 0 HG2 LYS B 27 0.852 -9.417 -5.944 1.00 0.59 H new ATOM 0 HG3 LYS B 27 1.994 -10.660 -5.471 1.00 0.59 H new ATOM 0 HD2 LYS B 27 3.867 -9.302 -6.340 1.00 0.66 H new ATOM 0 HD3 LYS B 27 2.744 -8.073 -6.886 1.00 0.66 H new ATOM 0 HE2 LYS B 27 2.001 -7.710 -4.538 1.00 0.96 H new ATOM 0 HE3 LYS B 27 3.126 -8.938 -3.993 1.00 0.96 H new ATOM 0 HZ1 LYS B 27 4.360 -7.064 -3.705 1.00 0.99 H new ATOM 0 HZ2 LYS B 27 4.834 -7.460 -5.288 1.00 0.99 H new ATOM 0 HZ3 LYS B 27 3.673 -6.248 -5.026 1.00 0.99 H new ATOM 1671 N ALA B 28 1.482 -13.101 -9.397 1.00 0.67 N ATOM 1672 CA ALA B 28 1.545 -13.722 -10.710 1.00 0.73 C ATOM 1673 C ALA B 28 0.214 -14.385 -11.025 1.00 0.71 C ATOM 1674 O ALA B 28 -0.245 -14.380 -12.167 1.00 0.74 O ATOM 1675 CB ALA B 28 2.678 -14.731 -10.769 1.00 0.81 C ATOM 0 H ALA B 28 2.125 -13.498 -8.712 1.00 0.67 H new ATOM 0 HA ALA B 28 1.742 -12.955 -11.459 1.00 0.73 H new ATOM 0 HB1 ALA B 28 2.709 -15.185 -11.759 1.00 0.81 H new ATOM 0 HB2 ALA B 28 3.624 -14.228 -10.571 1.00 0.81 H new ATOM 0 HB3 ALA B 28 2.515 -15.505 -10.019 1.00 0.81 H new ATOM 1681 N LYS B 29 -0.408 -14.948 -9.993 1.00 0.68 N ATOM 1682 CA LYS B 29 -1.701 -15.594 -10.140 1.00 0.70 C ATOM 1683 C LYS B 29 -2.759 -14.538 -10.434 1.00 0.70 C ATOM 1684 O LYS B 29 -3.618 -14.726 -11.294 1.00 0.76 O ATOM 1685 CB LYS B 29 -2.060 -16.375 -8.877 1.00 0.69 C ATOM 1686 CG LYS B 29 -1.131 -17.545 -8.601 1.00 0.74 C ATOM 1687 CD LYS B 29 -1.478 -18.238 -7.296 1.00 0.77 C ATOM 1688 CE LYS B 29 -0.606 -19.461 -7.065 1.00 0.84 C ATOM 1689 NZ LYS B 29 0.823 -19.100 -6.876 1.00 1.26 N ATOM 0 H LYS B 29 -0.033 -14.968 -9.045 1.00 0.68 H new ATOM 0 HA LYS B 29 -1.656 -16.301 -10.969 1.00 0.70 H new ATOM 0 HB2 LYS B 29 -2.041 -15.698 -8.023 1.00 0.69 H new ATOM 0 HB3 LYS B 29 -3.081 -16.746 -8.967 1.00 0.69 H new ATOM 0 HG2 LYS B 29 -1.192 -18.260 -9.421 1.00 0.74 H new ATOM 0 HG3 LYS B 29 -0.101 -17.191 -8.563 1.00 0.74 H new ATOM 0 HD2 LYS B 29 -1.354 -17.540 -6.468 1.00 0.77 H new ATOM 0 HD3 LYS B 29 -2.527 -18.535 -7.308 1.00 0.77 H new ATOM 0 HE2 LYS B 29 -0.963 -20.000 -6.187 1.00 0.84 H new ATOM 0 HE3 LYS B 29 -0.699 -20.138 -7.914 1.00 0.84 H new ATOM 0 HZ1 LYS B 29 1.405 -19.610 -7.571 1.00 1.26 H new ATOM 0 HZ2 LYS B 29 0.943 -18.076 -7.009 1.00 1.26 H new ATOM 0 HZ3 LYS B 29 1.123 -19.362 -5.915 1.00 1.26 H new ATOM 1703 N ILE B 30 -2.690 -13.420 -9.712 1.00 0.65 N ATOM 1704 CA ILE B 30 -3.617 -12.317 -9.923 1.00 0.67 C ATOM 1705 C ILE B 30 -3.442 -11.755 -11.335 1.00 0.70 C ATOM 1706 O ILE B 30 -4.403 -11.336 -11.973 1.00 0.72 O ATOM 1707 CB ILE B 30 -3.421 -11.195 -8.875 1.00 0.63 C ATOM 1708 CG1 ILE B 30 -3.601 -11.757 -7.459 1.00 0.69 C ATOM 1709 CG2 ILE B 30 -4.399 -10.052 -9.122 1.00 0.67 C ATOM 1710 CD1 ILE B 30 -3.433 -10.728 -6.361 1.00 0.67 C ATOM 0 H ILE B 30 -2.001 -13.258 -8.977 1.00 0.65 H new ATOM 0 HA ILE B 30 -4.630 -12.703 -9.806 1.00 0.67 H new ATOM 0 HB ILE B 30 -2.408 -10.804 -8.971 1.00 0.63 H new ATOM 0 HG12 ILE B 30 -4.594 -12.200 -7.379 1.00 0.69 H new ATOM 0 HG13 ILE B 30 -2.880 -12.560 -7.304 1.00 0.69 H new ATOM 0 HG21 ILE B 30 -4.245 -9.274 -8.375 1.00 0.67 H new ATOM 0 HG22 ILE B 30 -4.232 -9.639 -10.117 1.00 0.67 H new ATOM 0 HG23 ILE B 30 -5.421 -10.426 -9.052 1.00 0.67 H new ATOM 0 HD11 ILE B 30 -3.576 -11.204 -5.391 1.00 0.67 H new ATOM 0 HD12 ILE B 30 -2.431 -10.302 -6.412 1.00 0.67 H new ATOM 0 HD13 ILE B 30 -4.171 -9.936 -6.488 1.00 0.67 H new ATOM 1722 N GLN B 31 -2.208 -11.776 -11.830 1.00 0.74 N ATOM 1723 CA GLN B 31 -1.918 -11.290 -13.175 1.00 0.80 C ATOM 1724 C GLN B 31 -2.499 -12.249 -14.210 1.00 0.88 C ATOM 1725 O GLN B 31 -2.979 -11.834 -15.260 1.00 0.90 O ATOM 1726 CB GLN B 31 -0.410 -11.142 -13.395 1.00 0.83 C ATOM 1727 CG GLN B 31 -0.057 -10.511 -14.734 1.00 0.92 C ATOM 1728 CD GLN B 31 1.436 -10.374 -14.946 1.00 0.95 C ATOM 1729 OE1 GLN B 31 2.223 -11.187 -14.463 1.00 1.10 O ATOM 1730 NE2 GLN B 31 1.836 -9.337 -15.664 1.00 1.26 N ATOM 0 H GLN B 31 -1.395 -12.123 -11.322 1.00 0.74 H new ATOM 0 HA GLN B 31 -2.378 -10.308 -13.288 1.00 0.80 H new ATOM 0 HB2 GLN B 31 0.009 -10.535 -12.593 1.00 0.83 H new ATOM 0 HB3 GLN B 31 0.058 -12.124 -13.329 1.00 0.83 H new ATOM 0 HG2 GLN B 31 -0.479 -11.115 -15.537 1.00 0.92 H new ATOM 0 HG3 GLN B 31 -0.520 -9.526 -14.799 1.00 0.92 H new ATOM 0 HE21 GLN B 31 1.150 -8.686 -16.046 1.00 1.26 H new ATOM 0 HE22 GLN B 31 2.830 -9.188 -15.835 1.00 1.26 H new ATOM 1739 N ASP B 32 -2.456 -13.535 -13.892 1.00 0.95 N ATOM 1740 CA ASP B 32 -2.980 -14.567 -14.783 1.00 1.04 C ATOM 1741 C ASP B 32 -4.507 -14.562 -14.781 1.00 1.07 C ATOM 1742 O ASP B 32 -5.142 -15.062 -15.707 1.00 1.20 O ATOM 1743 CB ASP B 32 -2.466 -15.944 -14.355 1.00 1.03 C ATOM 1744 CG ASP B 32 -1.852 -16.722 -15.501 1.00 1.52 C ATOM 1745 OD1 ASP B 32 -2.598 -17.411 -16.228 1.00 1.80 O ATOM 1746 OD2 ASP B 32 -0.614 -16.660 -15.675 1.00 2.04 O ATOM 0 H ASP B 32 -2.063 -13.892 -13.021 1.00 0.95 H new ATOM 0 HA ASP B 32 -2.633 -14.352 -15.794 1.00 1.04 H new ATOM 0 HB2 ASP B 32 -1.724 -15.821 -13.566 1.00 1.03 H new ATOM 0 HB3 ASP B 32 -3.289 -16.519 -13.931 1.00 1.03 H new ATOM 1751 N LYS B 33 -5.086 -13.985 -13.737 1.00 0.98 N ATOM 1752 CA LYS B 33 -6.534 -13.922 -13.598 1.00 1.04 C ATOM 1753 C LYS B 33 -7.074 -12.530 -13.948 1.00 1.03 C ATOM 1754 O LYS B 33 -7.679 -12.335 -15.001 1.00 1.08 O ATOM 1755 CB LYS B 33 -6.924 -14.301 -12.165 1.00 0.98 C ATOM 1756 CG LYS B 33 -8.408 -14.564 -11.972 1.00 1.28 C ATOM 1757 CD LYS B 33 -8.673 -15.270 -10.651 1.00 1.27 C ATOM 1758 CE LYS B 33 -10.134 -15.669 -10.507 1.00 1.92 C ATOM 1759 NZ LYS B 33 -10.331 -16.679 -9.432 1.00 2.27 N ATOM 0 H LYS B 33 -4.572 -13.552 -12.970 1.00 0.98 H new ATOM 0 HA LYS B 33 -6.978 -14.629 -14.298 1.00 1.04 H new ATOM 0 HB2 LYS B 33 -6.368 -15.192 -11.873 1.00 0.98 H new ATOM 0 HB3 LYS B 33 -6.618 -13.499 -11.493 1.00 0.98 H new ATOM 0 HG2 LYS B 33 -8.954 -13.621 -12.000 1.00 1.28 H new ATOM 0 HG3 LYS B 33 -8.782 -15.173 -12.795 1.00 1.28 H new ATOM 0 HD2 LYS B 33 -8.045 -16.158 -10.581 1.00 1.27 H new ATOM 0 HD3 LYS B 33 -8.392 -14.615 -9.826 1.00 1.27 H new ATOM 0 HE2 LYS B 33 -10.732 -14.784 -10.288 1.00 1.92 H new ATOM 0 HE3 LYS B 33 -10.495 -16.071 -11.453 1.00 1.92 H new ATOM 0 HZ1 LYS B 33 -11.348 -16.799 -9.250 1.00 2.27 H new ATOM 0 HZ2 LYS B 33 -9.923 -17.588 -9.731 1.00 2.27 H new ATOM 0 HZ3 LYS B 33 -9.860 -16.357 -8.563 1.00 2.27 H new ATOM 1773 N GLU B 34 -6.835 -11.571 -13.060 1.00 0.99 N ATOM 1774 CA GLU B 34 -7.307 -10.197 -13.238 1.00 0.98 C ATOM 1775 C GLU B 34 -6.476 -9.425 -14.264 1.00 0.99 C ATOM 1776 O GLU B 34 -6.871 -8.348 -14.707 1.00 0.99 O ATOM 1777 CB GLU B 34 -7.271 -9.463 -11.896 1.00 0.91 C ATOM 1778 CG GLU B 34 -7.983 -10.204 -10.776 1.00 0.92 C ATOM 1779 CD GLU B 34 -9.488 -10.068 -10.852 1.00 1.10 C ATOM 1780 OE1 GLU B 34 -10.078 -10.467 -11.879 1.00 1.20 O ATOM 1781 OE2 GLU B 34 -10.090 -9.558 -9.888 1.00 1.30 O ATOM 0 H GLU B 34 -6.310 -11.721 -12.198 1.00 0.99 H new ATOM 0 HA GLU B 34 -8.329 -10.250 -13.615 1.00 0.98 H new ATOM 0 HB2 GLU B 34 -6.232 -9.300 -11.609 1.00 0.91 H new ATOM 0 HB3 GLU B 34 -7.727 -8.480 -12.017 1.00 0.91 H new ATOM 0 HG2 GLU B 34 -7.715 -11.260 -10.816 1.00 0.92 H new ATOM 0 HG3 GLU B 34 -7.636 -9.823 -9.815 1.00 0.92 H new ATOM 1788 N GLY B 35 -5.326 -9.972 -14.631 1.00 1.00 N ATOM 1789 CA GLY B 35 -4.463 -9.313 -15.600 1.00 1.02 C ATOM 1790 C GLY B 35 -3.672 -8.159 -15.014 1.00 0.97 C ATOM 1791 O GLY B 35 -2.917 -7.493 -15.725 1.00 1.00 O ATOM 0 H GLY B 35 -4.972 -10.861 -14.277 1.00 1.00 H new ATOM 0 HA2 GLY B 35 -3.770 -10.045 -16.016 1.00 1.02 H new ATOM 0 HA3 GLY B 35 -5.071 -8.945 -16.426 1.00 1.02 H new ATOM 1795 N ILE B 36 -3.837 -7.924 -13.719 1.00 0.89 N ATOM 1796 CA ILE B 36 -3.139 -6.838 -13.039 1.00 0.84 C ATOM 1797 C ILE B 36 -1.650 -7.157 -12.903 1.00 0.83 C ATOM 1798 O ILE B 36 -1.288 -8.232 -12.431 1.00 0.80 O ATOM 1799 CB ILE B 36 -3.736 -6.582 -11.637 1.00 0.79 C ATOM 1800 CG1 ILE B 36 -5.253 -6.398 -11.731 1.00 0.82 C ATOM 1801 CG2 ILE B 36 -3.094 -5.358 -10.995 1.00 0.74 C ATOM 1802 CD1 ILE B 36 -5.943 -6.300 -10.386 1.00 0.81 C ATOM 0 H ILE B 36 -4.450 -8.472 -13.116 1.00 0.89 H new ATOM 0 HA ILE B 36 -3.264 -5.940 -13.644 1.00 0.84 H new ATOM 0 HB ILE B 36 -3.526 -7.449 -11.011 1.00 0.79 H new ATOM 0 HG12 ILE B 36 -5.465 -5.495 -12.304 1.00 0.82 H new ATOM 0 HG13 ILE B 36 -5.677 -7.235 -12.286 1.00 0.82 H new ATOM 0 HG21 ILE B 36 -3.528 -5.195 -10.009 1.00 0.74 H new ATOM 0 HG22 ILE B 36 -2.021 -5.519 -10.897 1.00 0.74 H new ATOM 0 HG23 ILE B 36 -3.274 -4.483 -11.620 1.00 0.74 H new ATOM 0 HD11 ILE B 36 -7.015 -6.171 -10.536 1.00 0.81 H new ATOM 0 HD12 ILE B 36 -5.763 -7.212 -9.818 1.00 0.81 H new ATOM 0 HD13 ILE B 36 -5.548 -5.446 -9.836 1.00 0.81 H new ATOM 1814 N PRO B 37 -0.767 -6.237 -13.328 1.00 0.87 N ATOM 1815 CA PRO B 37 0.685 -6.433 -13.236 1.00 0.88 C ATOM 1816 C PRO B 37 1.173 -6.471 -11.787 1.00 0.79 C ATOM 1817 O PRO B 37 0.811 -5.611 -10.985 1.00 0.71 O ATOM 1818 CB PRO B 37 1.273 -5.210 -13.952 1.00 0.96 C ATOM 1819 CG PRO B 37 0.140 -4.591 -14.695 1.00 1.01 C ATOM 1820 CD PRO B 37 -1.103 -4.942 -13.935 1.00 0.93 C ATOM 0 HA PRO B 37 0.986 -7.384 -13.675 1.00 0.88 H new ATOM 0 HB2 PRO B 37 1.702 -4.508 -13.238 1.00 0.96 H new ATOM 0 HB3 PRO B 37 2.073 -5.502 -14.632 1.00 0.96 H new ATOM 0 HG2 PRO B 37 0.263 -3.510 -14.761 1.00 1.01 H new ATOM 0 HG3 PRO B 37 0.091 -4.970 -15.716 1.00 1.01 H new ATOM 0 HD2 PRO B 37 -1.339 -4.192 -13.180 1.00 0.93 H new ATOM 0 HD3 PRO B 37 -1.970 -5.017 -14.592 1.00 0.93 H new ATOM 1828 N PRO B 38 1.995 -7.476 -11.432 1.00 0.82 N ATOM 1829 CA PRO B 38 2.543 -7.629 -10.075 1.00 0.76 C ATOM 1830 C PRO B 38 3.288 -6.388 -9.578 1.00 0.72 C ATOM 1831 O PRO B 38 3.285 -6.092 -8.381 1.00 0.67 O ATOM 1832 CB PRO B 38 3.509 -8.808 -10.208 1.00 0.86 C ATOM 1833 CG PRO B 38 2.995 -9.585 -11.367 1.00 0.95 C ATOM 1834 CD PRO B 38 2.431 -8.570 -12.319 1.00 0.93 C ATOM 0 HA PRO B 38 1.748 -7.783 -9.345 1.00 0.76 H new ATOM 0 HB2 PRO B 38 4.530 -8.467 -10.381 1.00 0.86 H new ATOM 0 HB3 PRO B 38 3.524 -9.412 -9.301 1.00 0.86 H new ATOM 0 HG2 PRO B 38 3.792 -10.161 -11.836 1.00 0.95 H new ATOM 0 HG3 PRO B 38 2.230 -10.295 -11.054 1.00 0.95 H new ATOM 0 HD2 PRO B 38 3.179 -8.232 -13.036 1.00 0.93 H new ATOM 0 HD3 PRO B 38 1.599 -8.977 -12.894 1.00 0.93 H new ATOM 1842 N ASP B 39 3.905 -5.652 -10.498 1.00 0.79 N ATOM 1843 CA ASP B 39 4.647 -4.442 -10.140 1.00 0.82 C ATOM 1844 C ASP B 39 3.693 -3.346 -9.680 1.00 0.72 C ATOM 1845 O ASP B 39 4.095 -2.401 -9.005 1.00 0.76 O ATOM 1846 CB ASP B 39 5.496 -3.945 -11.317 1.00 0.97 C ATOM 1847 CG ASP B 39 4.687 -3.203 -12.368 1.00 1.25 C ATOM 1848 OD1 ASP B 39 4.013 -3.864 -13.180 1.00 1.92 O ATOM 1849 OD2 ASP B 39 4.737 -1.956 -12.393 1.00 1.76 O ATOM 0 H ASP B 39 3.907 -5.869 -11.495 1.00 0.79 H new ATOM 0 HA ASP B 39 5.318 -4.693 -9.318 1.00 0.82 H new ATOM 0 HB2 ASP B 39 6.279 -3.287 -10.940 1.00 0.97 H new ATOM 0 HB3 ASP B 39 5.992 -4.796 -11.784 1.00 0.97 H new ATOM 1854 N GLN B 40 2.425 -3.498 -10.026 1.00 0.64 N ATOM 1855 CA GLN B 40 1.405 -2.533 -9.649 1.00 0.59 C ATOM 1856 C GLN B 40 0.547 -3.100 -8.526 1.00 0.52 C ATOM 1857 O GLN B 40 -0.435 -2.490 -8.106 1.00 0.54 O ATOM 1858 CB GLN B 40 0.531 -2.174 -10.854 1.00 0.63 C ATOM 1859 CG GLN B 40 1.261 -1.368 -11.913 1.00 0.74 C ATOM 1860 CD GLN B 40 0.392 -1.057 -13.117 1.00 1.26 C ATOM 1861 OE1 GLN B 40 -0.829 -0.948 -13.011 1.00 1.81 O ATOM 1862 NE2 GLN B 40 1.018 -0.910 -14.271 1.00 1.91 N ATOM 0 H GLN B 40 2.076 -4.286 -10.571 1.00 0.64 H new ATOM 0 HA GLN B 40 1.895 -1.625 -9.299 1.00 0.59 H new ATOM 0 HB2 GLN B 40 0.152 -3.092 -11.304 1.00 0.63 H new ATOM 0 HB3 GLN B 40 -0.334 -1.607 -10.509 1.00 0.63 H new ATOM 0 HG2 GLN B 40 1.613 -0.435 -11.474 1.00 0.74 H new ATOM 0 HG3 GLN B 40 2.143 -1.920 -12.240 1.00 0.74 H new ATOM 0 HE21 GLN B 40 2.032 -1.008 -14.317 1.00 1.91 H new ATOM 0 HE22 GLN B 40 0.487 -0.698 -15.116 1.00 1.91 H new ATOM 1871 N GLN B 41 0.939 -4.269 -8.035 1.00 0.46 N ATOM 1872 CA GLN B 41 0.214 -4.940 -6.969 1.00 0.42 C ATOM 1873 C GLN B 41 0.932 -4.806 -5.634 1.00 0.46 C ATOM 1874 O GLN B 41 2.100 -5.182 -5.503 1.00 0.69 O ATOM 1875 CB GLN B 41 0.063 -6.428 -7.275 1.00 0.45 C ATOM 1876 CG GLN B 41 -0.828 -6.753 -8.458 1.00 0.52 C ATOM 1877 CD GLN B 41 -1.050 -8.245 -8.586 1.00 0.59 C ATOM 1878 OE1 GLN B 41 -1.129 -8.953 -7.587 1.00 0.96 O ATOM 1879 NE2 GLN B 41 -1.131 -8.739 -9.808 1.00 0.74 N ATOM 0 H GLN B 41 1.762 -4.774 -8.363 1.00 0.46 H new ATOM 0 HA GLN B 41 -0.764 -4.463 -6.905 1.00 0.42 H new ATOM 0 HB2 GLN B 41 1.052 -6.848 -7.458 1.00 0.45 H new ATOM 0 HB3 GLN B 41 -0.336 -6.926 -6.391 1.00 0.45 H new ATOM 0 HG2 GLN B 41 -1.788 -6.249 -8.343 1.00 0.52 H new ATOM 0 HG3 GLN B 41 -0.375 -6.371 -9.373 1.00 0.52 H new ATOM 0 HE21 GLN B 41 -1.061 -8.119 -10.615 1.00 0.74 H new ATOM 0 HE22 GLN B 41 -1.264 -9.741 -9.945 1.00 0.74 H new ATOM 1888 N ARG B 42 0.250 -4.234 -4.660 1.00 0.36 N ATOM 1889 CA ARG B 42 0.799 -4.104 -3.322 1.00 0.39 C ATOM 1890 C ARG B 42 -0.053 -4.918 -2.353 1.00 0.37 C ATOM 1891 O ARG B 42 -1.205 -4.574 -2.099 1.00 0.43 O ATOM 1892 CB ARG B 42 0.849 -2.635 -2.890 1.00 0.50 C ATOM 1893 CG ARG B 42 1.826 -1.792 -3.697 1.00 0.95 C ATOM 1894 CD ARG B 42 3.219 -2.406 -3.709 1.00 1.32 C ATOM 1895 NE ARG B 42 4.191 -1.541 -4.371 1.00 1.97 N ATOM 1896 CZ ARG B 42 4.794 -1.825 -5.527 1.00 2.64 C ATOM 1897 NH1 ARG B 42 4.527 -2.964 -6.166 1.00 3.02 N ATOM 1898 NH2 ARG B 42 5.663 -0.968 -6.044 1.00 3.22 N ATOM 0 H ARG B 42 -0.689 -3.850 -4.770 1.00 0.36 H new ATOM 0 HA ARG B 42 1.821 -4.484 -3.317 1.00 0.39 H new ATOM 0 HB2 ARG B 42 -0.149 -2.205 -2.980 1.00 0.50 H new ATOM 0 HB3 ARG B 42 1.124 -2.585 -1.836 1.00 0.50 H new ATOM 0 HG2 ARG B 42 1.463 -1.692 -4.720 1.00 0.95 H new ATOM 0 HG3 ARG B 42 1.874 -0.787 -3.277 1.00 0.95 H new ATOM 0 HD2 ARG B 42 3.541 -2.596 -2.685 1.00 1.32 H new ATOM 0 HD3 ARG B 42 3.186 -3.370 -4.217 1.00 1.32 H new ATOM 0 HE ARG B 42 4.426 -0.658 -3.918 1.00 1.97 H new ATOM 0 HH11 ARG B 42 3.858 -3.625 -5.772 1.00 3.02 H new ATOM 0 HH12 ARG B 42 4.992 -3.174 -7.049 1.00 3.02 H new ATOM 0 HH21 ARG B 42 5.869 -0.095 -5.558 1.00 3.22 H new ATOM 0 HH22 ARG B 42 6.126 -1.182 -6.927 1.00 3.22 H new ATOM 1912 N LEU B 43 0.505 -6.005 -1.833 1.00 0.38 N ATOM 1913 CA LEU B 43 -0.228 -6.867 -0.911 1.00 0.41 C ATOM 1914 C LEU B 43 0.004 -6.445 0.532 1.00 0.41 C ATOM 1915 O LEU B 43 1.133 -6.158 0.934 1.00 0.45 O ATOM 1916 CB LEU B 43 0.176 -8.331 -1.109 1.00 0.46 C ATOM 1917 CG LEU B 43 -0.309 -8.974 -2.412 1.00 0.64 C ATOM 1918 CD1 LEU B 43 0.312 -10.351 -2.591 1.00 1.33 C ATOM 1919 CD2 LEU B 43 -1.827 -9.074 -2.426 1.00 0.85 C ATOM 0 H LEU B 43 1.458 -6.310 -2.032 1.00 0.38 H new ATOM 0 HA LEU B 43 -1.291 -6.765 -1.128 1.00 0.41 H new ATOM 0 HB2 LEU B 43 1.263 -8.399 -1.073 1.00 0.46 H new ATOM 0 HB3 LEU B 43 -0.208 -8.913 -0.271 1.00 0.46 H new ATOM 0 HG LEU B 43 0.004 -8.341 -3.243 1.00 0.64 H new ATOM 0 HD11 LEU B 43 -0.044 -10.792 -3.522 1.00 1.33 H new ATOM 0 HD12 LEU B 43 1.398 -10.259 -2.625 1.00 1.33 H new ATOM 0 HD13 LEU B 43 0.028 -10.990 -1.755 1.00 1.33 H new ATOM 0 HD21 LEU B 43 -2.153 -9.533 -3.359 1.00 0.85 H new ATOM 0 HD22 LEU B 43 -2.159 -9.684 -1.586 1.00 0.85 H new ATOM 0 HD23 LEU B 43 -2.258 -8.076 -2.343 1.00 0.85 H new ATOM 1931 N ILE B 44 -1.074 -6.409 1.301 1.00 0.39 N ATOM 1932 CA ILE B 44 -1.021 -6.003 2.698 1.00 0.43 C ATOM 1933 C ILE B 44 -1.658 -7.055 3.599 1.00 0.45 C ATOM 1934 O ILE B 44 -2.672 -7.660 3.242 1.00 0.47 O ATOM 1935 CB ILE B 44 -1.761 -4.663 2.919 1.00 0.47 C ATOM 1936 CG1 ILE B 44 -1.242 -3.595 1.957 1.00 0.64 C ATOM 1937 CG2 ILE B 44 -1.612 -4.190 4.359 1.00 0.52 C ATOM 1938 CD1 ILE B 44 -2.174 -2.414 1.811 1.00 1.03 C ATOM 0 H ILE B 44 -2.008 -6.660 0.976 1.00 0.39 H new ATOM 0 HA ILE B 44 0.032 -5.887 2.953 1.00 0.43 H new ATOM 0 HB ILE B 44 -2.820 -4.828 2.719 1.00 0.47 H new ATOM 0 HG12 ILE B 44 -0.272 -3.242 2.307 1.00 0.64 H new ATOM 0 HG13 ILE B 44 -1.082 -4.046 0.977 1.00 0.64 H new ATOM 0 HG21 ILE B 44 -2.141 -3.246 4.488 1.00 0.52 H new ATOM 0 HG22 ILE B 44 -2.032 -4.937 5.033 1.00 0.52 H new ATOM 0 HG23 ILE B 44 -0.556 -4.048 4.588 1.00 0.52 H new ATOM 0 HD11 ILE B 44 -1.744 -1.695 1.114 1.00 1.03 H new ATOM 0 HD12 ILE B 44 -3.137 -2.755 1.432 1.00 1.03 H new ATOM 0 HD13 ILE B 44 -2.314 -1.939 2.782 1.00 1.03 H new ATOM 1950 N PHE B 45 -1.049 -7.266 4.753 1.00 0.48 N ATOM 1951 CA PHE B 45 -1.542 -8.209 5.743 1.00 0.52 C ATOM 1952 C PHE B 45 -1.080 -7.753 7.117 1.00 0.58 C ATOM 1953 O PHE B 45 0.048 -7.282 7.265 1.00 0.57 O ATOM 1954 CB PHE B 45 -1.046 -9.629 5.454 1.00 0.64 C ATOM 1955 CG PHE B 45 -1.755 -10.693 6.245 1.00 0.72 C ATOM 1956 CD1 PHE B 45 -3.113 -10.911 6.077 1.00 0.92 C ATOM 1957 CD2 PHE B 45 -1.059 -11.480 7.148 1.00 1.19 C ATOM 1958 CE1 PHE B 45 -3.764 -11.892 6.797 1.00 0.99 C ATOM 1959 CE2 PHE B 45 -1.707 -12.462 7.873 1.00 1.31 C ATOM 1960 CZ PHE B 45 -3.060 -12.669 7.696 1.00 0.97 C ATOM 0 H PHE B 45 -0.194 -6.785 5.031 1.00 0.48 H new ATOM 0 HA PHE B 45 -2.631 -8.234 5.704 1.00 0.52 H new ATOM 0 HB2 PHE B 45 -1.169 -9.837 4.391 1.00 0.64 H new ATOM 0 HB3 PHE B 45 0.022 -9.681 5.668 1.00 0.64 H new ATOM 0 HD1 PHE B 45 -3.668 -10.307 5.375 1.00 0.92 H new ATOM 0 HD2 PHE B 45 0.001 -11.325 7.287 1.00 1.19 H new ATOM 0 HE1 PHE B 45 -4.823 -12.052 6.658 1.00 0.99 H new ATOM 0 HE2 PHE B 45 -1.155 -13.067 8.577 1.00 1.31 H new ATOM 0 HZ PHE B 45 -3.568 -13.438 8.260 1.00 0.97 H new ATOM 1970 N ALA B 46 -1.956 -7.880 8.108 1.00 0.75 N ATOM 1971 CA ALA B 46 -1.657 -7.465 9.480 1.00 0.94 C ATOM 1972 C ALA B 46 -1.272 -5.983 9.549 1.00 0.87 C ATOM 1973 O ALA B 46 -0.544 -5.561 10.450 1.00 0.92 O ATOM 1974 CB ALA B 46 -0.553 -8.336 10.073 1.00 1.07 C ATOM 0 H ALA B 46 -2.890 -8.271 7.987 1.00 0.75 H new ATOM 0 HA ALA B 46 -2.563 -7.598 10.072 1.00 0.94 H new ATOM 0 HB1 ALA B 46 -0.344 -8.014 11.093 1.00 1.07 H new ATOM 0 HB2 ALA B 46 -0.875 -9.377 10.081 1.00 1.07 H new ATOM 0 HB3 ALA B 46 0.350 -8.240 9.470 1.00 1.07 H new ATOM 1980 N GLY B 47 -1.776 -5.197 8.602 1.00 0.83 N ATOM 1981 CA GLY B 47 -1.483 -3.775 8.569 1.00 0.87 C ATOM 1982 C GLY B 47 -0.113 -3.453 7.997 1.00 0.74 C ATOM 1983 O GLY B 47 0.339 -2.309 8.072 1.00 0.85 O ATOM 0 H GLY B 47 -2.386 -5.522 7.852 1.00 0.83 H new ATOM 0 HA2 GLY B 47 -2.244 -3.269 7.975 1.00 0.87 H new ATOM 0 HA3 GLY B 47 -1.549 -3.375 9.581 1.00 0.87 H new ATOM 1987 N LYS B 48 0.549 -4.449 7.418 1.00 0.58 N ATOM 1988 CA LYS B 48 1.877 -4.246 6.853 1.00 0.54 C ATOM 1989 C LYS B 48 1.970 -4.799 5.435 1.00 0.51 C ATOM 1990 O LYS B 48 1.254 -5.731 5.070 1.00 0.55 O ATOM 1991 CB LYS B 48 2.937 -4.910 7.735 1.00 0.56 C ATOM 1992 CG LYS B 48 3.029 -4.318 9.136 1.00 1.38 C ATOM 1993 CD LYS B 48 3.617 -5.311 10.124 1.00 1.44 C ATOM 1994 CE LYS B 48 2.639 -6.434 10.437 1.00 2.31 C ATOM 1995 NZ LYS B 48 3.334 -7.717 10.726 1.00 2.94 N ATOM 0 H LYS B 48 0.190 -5.399 7.328 1.00 0.58 H new ATOM 0 HA LYS B 48 2.058 -3.172 6.814 1.00 0.54 H new ATOM 0 HB2 LYS B 48 2.716 -5.974 7.814 1.00 0.56 H new ATOM 0 HB3 LYS B 48 3.908 -4.822 7.249 1.00 0.56 H new ATOM 0 HG2 LYS B 48 3.645 -3.419 9.112 1.00 1.38 H new ATOM 0 HG3 LYS B 48 2.036 -4.016 9.470 1.00 1.38 H new ATOM 0 HD2 LYS B 48 4.536 -5.731 9.715 1.00 1.44 H new ATOM 0 HD3 LYS B 48 3.885 -4.794 11.045 1.00 1.44 H new ATOM 0 HE2 LYS B 48 2.027 -6.153 11.294 1.00 2.31 H new ATOM 0 HE3 LYS B 48 1.963 -6.571 9.593 1.00 2.31 H new ATOM 0 HZ1 LYS B 48 2.707 -8.335 11.280 1.00 2.94 H new ATOM 0 HZ2 LYS B 48 3.581 -8.187 9.832 1.00 2.94 H new ATOM 0 HZ3 LYS B 48 4.201 -7.528 11.269 1.00 2.94 H new ATOM 2006 N GLN B 49 2.851 -4.203 4.643 1.00 0.54 N ATOM 2007 CA GLN B 49 3.068 -4.620 3.266 1.00 0.54 C ATOM 2008 C GLN B 49 3.909 -5.893 3.235 1.00 0.54 C ATOM 2009 O GLN B 49 4.866 -6.031 3.998 1.00 0.66 O ATOM 2010 CB GLN B 49 3.771 -3.506 2.480 1.00 0.61 C ATOM 2011 CG GLN B 49 3.708 -3.677 0.970 1.00 0.91 C ATOM 2012 CD GLN B 49 2.570 -2.897 0.345 1.00 1.34 C ATOM 2013 OE1 GLN B 49 2.741 -1.758 -0.087 1.00 1.56 O ATOM 2014 NE2 GLN B 49 1.399 -3.500 0.298 1.00 2.24 N ATOM 0 H GLN B 49 3.434 -3.419 4.937 1.00 0.54 H new ATOM 0 HA GLN B 49 2.102 -4.821 2.802 1.00 0.54 H new ATOM 0 HB2 GLN B 49 3.321 -2.549 2.746 1.00 0.61 H new ATOM 0 HB3 GLN B 49 4.816 -3.463 2.787 1.00 0.61 H new ATOM 0 HG2 GLN B 49 4.651 -3.352 0.531 1.00 0.91 H new ATOM 0 HG3 GLN B 49 3.593 -4.734 0.732 1.00 0.91 H new ATOM 0 HE21 GLN B 49 1.297 -4.446 0.667 1.00 2.24 H new ATOM 0 HE22 GLN B 49 0.595 -3.021 -0.107 1.00 2.24 H new ATOM 2023 N LEU B 50 3.554 -6.809 2.349 1.00 0.60 N ATOM 2024 CA LEU B 50 4.263 -8.074 2.233 1.00 0.66 C ATOM 2025 C LEU B 50 5.336 -7.991 1.159 1.00 0.68 C ATOM 2026 O LEU B 50 5.038 -7.674 0.003 1.00 0.66 O ATOM 2027 CB LEU B 50 3.282 -9.201 1.900 1.00 0.70 C ATOM 2028 CG LEU B 50 1.924 -9.109 2.600 1.00 1.06 C ATOM 2029 CD1 LEU B 50 1.004 -10.223 2.125 1.00 1.76 C ATOM 2030 CD2 LEU B 50 2.096 -9.164 4.109 1.00 1.23 C ATOM 0 H LEU B 50 2.777 -6.700 1.697 1.00 0.60 H new ATOM 0 HA LEU B 50 4.741 -8.287 3.189 1.00 0.66 H new ATOM 0 HB2 LEU B 50 3.118 -9.212 0.823 1.00 0.70 H new ATOM 0 HB3 LEU B 50 3.744 -10.153 2.162 1.00 0.70 H new ATOM 0 HG LEU B 50 1.468 -8.153 2.343 1.00 1.06 H new ATOM 0 HD11 LEU B 50 0.043 -10.143 2.633 1.00 1.76 H new ATOM 0 HD12 LEU B 50 0.854 -10.137 1.049 1.00 1.76 H new ATOM 0 HD13 LEU B 50 1.455 -11.189 2.352 1.00 1.76 H new ATOM 0 HD21 LEU B 50 1.120 -9.097 4.589 1.00 1.23 H new ATOM 0 HD22 LEU B 50 2.573 -10.104 4.387 1.00 1.23 H new ATOM 0 HD23 LEU B 50 2.718 -8.331 4.435 1.00 1.23 H new ATOM 2042 N GLU B 51 6.580 -8.254 1.542 1.00 0.75 N ATOM 2043 CA GLU B 51 7.696 -8.217 0.609 1.00 0.83 C ATOM 2044 C GLU B 51 7.553 -9.311 -0.443 1.00 0.76 C ATOM 2045 O GLU B 51 7.160 -10.438 -0.137 1.00 0.70 O ATOM 2046 CB GLU B 51 9.020 -8.383 1.356 1.00 1.00 C ATOM 2047 CG GLU B 51 10.217 -7.847 0.589 1.00 1.33 C ATOM 2048 CD GLU B 51 11.535 -8.212 1.235 1.00 1.68 C ATOM 2049 OE1 GLU B 51 11.883 -7.612 2.269 1.00 2.14 O ATOM 2050 OE2 GLU B 51 12.238 -9.094 0.701 1.00 2.36 O ATOM 0 H GLU B 51 6.840 -8.496 2.498 1.00 0.75 H new ATOM 0 HA GLU B 51 7.690 -7.248 0.109 1.00 0.83 H new ATOM 0 HB2 GLU B 51 8.954 -7.871 2.316 1.00 1.00 H new ATOM 0 HB3 GLU B 51 9.178 -9.440 1.569 1.00 1.00 H new ATOM 0 HG2 GLU B 51 10.196 -8.237 -0.429 1.00 1.33 H new ATOM 0 HG3 GLU B 51 10.141 -6.762 0.516 1.00 1.33 H new ATOM 2057 N ASP B 52 7.902 -8.974 -1.676 1.00 0.84 N ATOM 2058 CA ASP B 52 7.799 -9.905 -2.796 1.00 0.88 C ATOM 2059 C ASP B 52 8.777 -11.068 -2.657 1.00 0.92 C ATOM 2060 O ASP B 52 8.544 -12.153 -3.191 1.00 1.42 O ATOM 2061 CB ASP B 52 8.065 -9.172 -4.114 1.00 1.02 C ATOM 2062 CG ASP B 52 6.885 -8.345 -4.574 1.00 1.11 C ATOM 2063 OD1 ASP B 52 6.776 -7.162 -4.173 1.00 1.52 O ATOM 2064 OD2 ASP B 52 6.055 -8.861 -5.349 1.00 1.32 O ATOM 0 H ASP B 52 8.263 -8.054 -1.930 1.00 0.84 H new ATOM 0 HA ASP B 52 6.787 -10.310 -2.793 1.00 0.88 H new ATOM 0 HB2 ASP B 52 8.933 -8.523 -3.995 1.00 1.02 H new ATOM 0 HB3 ASP B 52 8.315 -9.900 -4.885 1.00 1.02 H new ATOM 2069 N GLY B 53 9.863 -10.842 -1.926 1.00 0.79 N ATOM 2070 CA GLY B 53 10.867 -11.874 -1.750 1.00 0.88 C ATOM 2071 C GLY B 53 10.571 -12.832 -0.610 1.00 0.84 C ATOM 2072 O GLY B 53 11.355 -13.748 -0.357 1.00 0.93 O ATOM 0 H GLY B 53 10.066 -9.962 -1.452 1.00 0.79 H new ATOM 0 HA2 GLY B 53 10.956 -12.443 -2.676 1.00 0.88 H new ATOM 0 HA3 GLY B 53 11.833 -11.401 -1.573 1.00 0.88 H new ATOM 2076 N ARG B 54 9.465 -12.630 0.091 1.00 0.76 N ATOM 2077 CA ARG B 54 9.108 -13.508 1.200 1.00 0.79 C ATOM 2078 C ARG B 54 7.962 -14.441 0.821 1.00 0.72 C ATOM 2079 O ARG B 54 7.374 -14.312 -0.254 1.00 0.69 O ATOM 2080 CB ARG B 54 8.753 -12.688 2.438 1.00 0.83 C ATOM 2081 CG ARG B 54 9.968 -12.227 3.229 1.00 1.00 C ATOM 2082 CD ARG B 54 10.727 -13.401 3.835 1.00 1.22 C ATOM 2083 NE ARG B 54 11.849 -13.842 2.999 1.00 2.01 N ATOM 2084 CZ ARG B 54 12.115 -15.120 2.701 1.00 2.69 C ATOM 2085 NH1 ARG B 54 11.297 -16.090 3.092 1.00 2.90 N ATOM 2086 NH2 ARG B 54 13.196 -15.425 1.993 1.00 3.65 N ATOM 0 H ARG B 54 8.803 -11.874 -0.084 1.00 0.76 H new ATOM 0 HA ARG B 54 9.975 -14.127 1.432 1.00 0.79 H new ATOM 0 HB2 ARG B 54 8.175 -11.815 2.133 1.00 0.83 H new ATOM 0 HB3 ARG B 54 8.111 -13.284 3.087 1.00 0.83 H new ATOM 0 HG2 ARG B 54 10.633 -11.662 2.577 1.00 1.00 H new ATOM 0 HG3 ARG B 54 9.650 -11.551 4.023 1.00 1.00 H new ATOM 0 HD2 ARG B 54 11.102 -13.117 4.819 1.00 1.22 H new ATOM 0 HD3 ARG B 54 10.040 -14.234 3.984 1.00 1.22 H new ATOM 0 HE ARG B 54 12.469 -13.126 2.619 1.00 2.01 H new ATOM 0 HH11 ARG B 54 10.457 -15.865 3.625 1.00 2.90 H new ATOM 0 HH12 ARG B 54 11.509 -17.060 2.860 1.00 2.90 H new ATOM 0 HH21 ARG B 54 13.824 -14.686 1.676 1.00 3.65 H new ATOM 0 HH22 ARG B 54 13.399 -16.398 1.766 1.00 3.65 H new ATOM 2100 N THR B 55 7.643 -15.382 1.705 1.00 0.72 N ATOM 2101 CA THR B 55 6.581 -16.340 1.444 1.00 0.68 C ATOM 2102 C THR B 55 5.363 -16.075 2.321 1.00 0.66 C ATOM 2103 O THR B 55 5.416 -15.273 3.255 1.00 0.69 O ATOM 2104 CB THR B 55 7.060 -17.791 1.663 1.00 0.75 C ATOM 2105 OG1 THR B 55 7.598 -17.952 2.984 1.00 0.90 O ATOM 2106 CG2 THR B 55 8.111 -18.167 0.634 1.00 0.76 C ATOM 0 H THR B 55 8.106 -15.499 2.606 1.00 0.72 H new ATOM 0 HA THR B 55 6.299 -16.215 0.398 1.00 0.68 H new ATOM 0 HB THR B 55 6.200 -18.450 1.549 1.00 0.75 H new ATOM 0 HG1 THR B 55 8.313 -17.297 3.128 1.00 0.90 H new ATOM 0 HG21 THR B 55 8.436 -19.193 0.805 1.00 0.76 H new ATOM 0 HG22 THR B 55 7.687 -18.082 -0.367 1.00 0.76 H new ATOM 0 HG23 THR B 55 8.965 -17.496 0.724 1.00 0.76 H new ATOM 2114 N LEU B 56 4.268 -16.755 2.007 1.00 0.63 N ATOM 2115 CA LEU B 56 3.018 -16.610 2.747 1.00 0.63 C ATOM 2116 C LEU B 56 3.183 -16.988 4.218 1.00 0.70 C ATOM 2117 O LEU B 56 2.685 -16.295 5.107 1.00 0.71 O ATOM 2118 CB LEU B 56 1.927 -17.477 2.111 1.00 0.62 C ATOM 2119 CG LEU B 56 1.195 -16.847 0.922 1.00 0.58 C ATOM 2120 CD1 LEU B 56 2.128 -16.691 -0.268 1.00 1.15 C ATOM 2121 CD2 LEU B 56 -0.011 -17.686 0.541 1.00 1.26 C ATOM 0 H LEU B 56 4.219 -17.420 1.236 1.00 0.63 H new ATOM 0 HA LEU B 56 2.728 -15.560 2.700 1.00 0.63 H new ATOM 0 HB2 LEU B 56 2.377 -18.414 1.783 1.00 0.62 H new ATOM 0 HB3 LEU B 56 1.193 -17.726 2.877 1.00 0.62 H new ATOM 0 HG LEU B 56 0.853 -15.855 1.219 1.00 0.58 H new ATOM 0 HD11 LEU B 56 1.585 -16.242 -1.100 1.00 1.15 H new ATOM 0 HD12 LEU B 56 2.965 -16.050 0.008 1.00 1.15 H new ATOM 0 HD13 LEU B 56 2.504 -17.670 -0.567 1.00 1.15 H new ATOM 0 HD21 LEU B 56 -0.521 -17.226 -0.305 1.00 1.26 H new ATOM 0 HD22 LEU B 56 0.316 -18.689 0.266 1.00 1.26 H new ATOM 0 HD23 LEU B 56 -0.695 -17.746 1.388 1.00 1.26 H new ATOM 2133 N SER B 57 3.893 -18.079 4.469 1.00 0.76 N ATOM 2134 CA SER B 57 4.118 -18.558 5.825 1.00 0.85 C ATOM 2135 C SER B 57 4.948 -17.575 6.654 1.00 0.90 C ATOM 2136 O SER B 57 4.942 -17.632 7.885 1.00 0.98 O ATOM 2137 CB SER B 57 4.804 -19.922 5.763 1.00 0.95 C ATOM 2138 OG SER B 57 5.300 -20.175 4.455 1.00 0.98 O ATOM 0 H SER B 57 4.326 -18.653 3.745 1.00 0.76 H new ATOM 0 HA SER B 57 3.152 -18.649 6.322 1.00 0.85 H new ATOM 0 HB2 SER B 57 5.623 -19.956 6.481 1.00 0.95 H new ATOM 0 HB3 SER B 57 4.099 -20.703 6.047 1.00 0.95 H new ATOM 0 HG SER B 57 4.572 -20.502 3.887 1.00 0.98 H new ATOM 2144 N ASP B 58 5.644 -16.662 5.984 1.00 0.87 N ATOM 2145 CA ASP B 58 6.473 -15.677 6.677 1.00 0.93 C ATOM 2146 C ASP B 58 5.613 -14.623 7.355 1.00 0.91 C ATOM 2147 O ASP B 58 6.029 -14.003 8.333 1.00 0.95 O ATOM 2148 CB ASP B 58 7.427 -14.980 5.706 1.00 0.97 C ATOM 2149 CG ASP B 58 8.584 -15.849 5.283 1.00 1.14 C ATOM 2150 OD1 ASP B 58 9.246 -16.441 6.157 1.00 1.16 O ATOM 2151 OD2 ASP B 58 8.847 -15.938 4.066 1.00 1.61 O ATOM 0 H ASP B 58 5.652 -16.582 4.967 1.00 0.87 H new ATOM 0 HA ASP B 58 7.050 -16.216 7.428 1.00 0.93 H new ATOM 0 HB2 ASP B 58 6.872 -14.670 4.821 1.00 0.97 H new ATOM 0 HB3 ASP B 58 7.813 -14.074 6.174 1.00 0.97 H new ATOM 2156 N TYR B 59 4.410 -14.430 6.836 1.00 0.86 N ATOM 2157 CA TYR B 59 3.505 -13.428 7.377 1.00 0.87 C ATOM 2158 C TYR B 59 2.321 -14.061 8.095 1.00 0.88 C ATOM 2159 O TYR B 59 1.397 -13.358 8.502 1.00 0.91 O ATOM 2160 CB TYR B 59 3.020 -12.504 6.260 1.00 0.81 C ATOM 2161 CG TYR B 59 4.130 -11.667 5.662 1.00 0.78 C ATOM 2162 CD1 TYR B 59 4.603 -10.538 6.319 1.00 0.84 C ATOM 2163 CD2 TYR B 59 4.714 -12.014 4.451 1.00 0.78 C ATOM 2164 CE1 TYR B 59 5.622 -9.776 5.783 1.00 0.87 C ATOM 2165 CE2 TYR B 59 5.734 -11.255 3.909 1.00 0.80 C ATOM 2166 CZ TYR B 59 6.185 -10.140 4.580 1.00 0.83 C ATOM 2167 OH TYR B 59 7.202 -9.384 4.045 1.00 0.90 O ATOM 0 H TYR B 59 4.039 -14.953 6.043 1.00 0.86 H new ATOM 0 HA TYR B 59 4.057 -12.844 8.114 1.00 0.87 H new ATOM 0 HB2 TYR B 59 2.560 -13.103 5.474 1.00 0.81 H new ATOM 0 HB3 TYR B 59 2.246 -11.844 6.652 1.00 0.81 H new ATOM 0 HD1 TYR B 59 4.166 -10.252 7.264 1.00 0.84 H new ATOM 0 HD2 TYR B 59 4.366 -12.890 3.925 1.00 0.78 H new ATOM 0 HE1 TYR B 59 5.976 -8.899 6.304 1.00 0.87 H new ATOM 0 HE2 TYR B 59 6.175 -11.535 2.964 1.00 0.80 H new ATOM 0 HH TYR B 59 7.929 -9.304 4.698 1.00 0.90 H new ATOM 2177 N ASN B 60 2.352 -15.388 8.235 1.00 0.89 N ATOM 2178 CA ASN B 60 1.292 -16.136 8.920 1.00 0.92 C ATOM 2179 C ASN B 60 0.008 -16.146 8.092 1.00 0.86 C ATOM 2180 O ASN B 60 -1.092 -15.927 8.605 1.00 0.89 O ATOM 2181 CB ASN B 60 1.027 -15.574 10.330 1.00 1.00 C ATOM 2182 CG ASN B 60 0.116 -16.464 11.158 1.00 1.48 C ATOM 2183 OD1 ASN B 60 0.163 -17.692 11.064 1.00 2.05 O ATOM 2184 ND2 ASN B 60 -0.727 -15.850 11.975 1.00 1.91 N ATOM 0 H ASN B 60 3.108 -15.973 7.879 1.00 0.89 H new ATOM 0 HA ASN B 60 1.635 -17.164 9.031 1.00 0.92 H new ATOM 0 HB2 ASN B 60 1.976 -15.450 10.851 1.00 1.00 H new ATOM 0 HB3 ASN B 60 0.579 -14.584 10.243 1.00 1.00 H new ATOM 0 HD21 ASN B 60 -1.366 -16.396 12.553 1.00 1.91 H new ATOM 0 HD22 ASN B 60 -0.737 -14.831 12.026 1.00 1.91 H new ATOM 2191 N ILE B 61 0.152 -16.402 6.799 1.00 0.80 N ATOM 2192 CA ILE B 61 -0.995 -16.465 5.912 1.00 0.74 C ATOM 2193 C ILE B 61 -1.497 -17.902 5.835 1.00 0.74 C ATOM 2194 O ILE B 61 -0.769 -18.808 5.422 1.00 0.73 O ATOM 2195 CB ILE B 61 -0.661 -15.939 4.499 1.00 0.68 C ATOM 2196 CG1 ILE B 61 -0.237 -14.468 4.572 1.00 0.70 C ATOM 2197 CG2 ILE B 61 -1.858 -16.106 3.569 1.00 0.66 C ATOM 2198 CD1 ILE B 61 0.194 -13.888 3.243 1.00 0.65 C ATOM 0 H ILE B 61 1.050 -16.569 6.345 1.00 0.80 H new ATOM 0 HA ILE B 61 -1.775 -15.822 6.320 1.00 0.74 H new ATOM 0 HB ILE B 61 0.167 -16.522 4.096 1.00 0.68 H new ATOM 0 HG12 ILE B 61 -1.067 -13.880 4.962 1.00 0.70 H new ATOM 0 HG13 ILE B 61 0.584 -14.371 5.283 1.00 0.70 H new ATOM 0 HG21 ILE B 61 -1.604 -15.730 2.578 1.00 0.66 H new ATOM 0 HG22 ILE B 61 -2.121 -17.162 3.500 1.00 0.66 H new ATOM 0 HG23 ILE B 61 -2.706 -15.546 3.963 1.00 0.66 H new ATOM 0 HD11 ILE B 61 0.479 -12.844 3.377 1.00 0.65 H new ATOM 0 HD12 ILE B 61 1.045 -14.450 2.860 1.00 0.65 H new ATOM 0 HD13 ILE B 61 -0.631 -13.951 2.534 1.00 0.65 H new ATOM 2210 N GLN B 62 -2.728 -18.100 6.272 1.00 0.80 N ATOM 2211 CA GLN B 62 -3.342 -19.419 6.282 1.00 0.81 C ATOM 2212 C GLN B 62 -4.542 -19.470 5.339 1.00 0.75 C ATOM 2213 O GLN B 62 -4.752 -18.557 4.536 1.00 0.70 O ATOM 2214 CB GLN B 62 -3.761 -19.776 7.710 1.00 0.91 C ATOM 2215 CG GLN B 62 -2.609 -19.729 8.701 1.00 1.02 C ATOM 2216 CD GLN B 62 -3.071 -19.738 10.144 1.00 1.22 C ATOM 2217 OE1 GLN B 62 -4.090 -20.338 10.481 1.00 1.83 O ATOM 2218 NE2 GLN B 62 -2.329 -19.065 11.008 1.00 1.51 N ATOM 0 H GLN B 62 -3.329 -17.357 6.628 1.00 0.80 H new ATOM 0 HA GLN B 62 -2.614 -20.150 5.930 1.00 0.81 H new ATOM 0 HB2 GLN B 62 -4.541 -19.088 8.036 1.00 0.91 H new ATOM 0 HB3 GLN B 62 -4.196 -20.775 7.715 1.00 0.91 H new ATOM 0 HG2 GLN B 62 -1.954 -20.583 8.529 1.00 1.02 H new ATOM 0 HG3 GLN B 62 -2.017 -18.832 8.520 1.00 1.02 H new ATOM 0 HE21 GLN B 62 -1.490 -18.580 10.690 1.00 1.51 H new ATOM 0 HE22 GLN B 62 -2.596 -19.032 11.992 1.00 1.51 H new ATOM 2227 N LYS B 63 -5.324 -20.530 5.442 1.00 0.78 N ATOM 2228 CA LYS B 63 -6.499 -20.706 4.598 1.00 0.77 C ATOM 2229 C LYS B 63 -7.568 -19.657 4.909 1.00 0.77 C ATOM 2230 O LYS B 63 -7.789 -19.311 6.072 1.00 0.82 O ATOM 2231 CB LYS B 63 -7.077 -22.113 4.790 1.00 0.81 C ATOM 2232 CG LYS B 63 -7.593 -22.375 6.200 1.00 0.91 C ATOM 2233 CD LYS B 63 -8.143 -23.786 6.350 1.00 1.12 C ATOM 2234 CE LYS B 63 -7.035 -24.799 6.590 1.00 1.66 C ATOM 2235 NZ LYS B 63 -6.310 -24.544 7.864 1.00 2.28 N ATOM 0 H LYS B 63 -5.167 -21.288 6.106 1.00 0.78 H new ATOM 0 HA LYS B 63 -6.191 -20.579 3.560 1.00 0.77 H new ATOM 0 HB2 LYS B 63 -7.891 -22.262 4.081 1.00 0.81 H new ATOM 0 HB3 LYS B 63 -6.308 -22.848 4.551 1.00 0.81 H new ATOM 0 HG2 LYS B 63 -6.786 -22.222 6.916 1.00 0.91 H new ATOM 0 HG3 LYS B 63 -8.374 -21.654 6.441 1.00 0.91 H new ATOM 0 HD2 LYS B 63 -8.849 -23.815 7.180 1.00 1.12 H new ATOM 0 HD3 LYS B 63 -8.697 -24.058 5.451 1.00 1.12 H new ATOM 0 HE2 LYS B 63 -7.460 -25.803 6.610 1.00 1.66 H new ATOM 0 HE3 LYS B 63 -6.330 -24.768 5.760 1.00 1.66 H new ATOM 0 HZ1 LYS B 63 -5.857 -25.422 8.187 1.00 2.28 H new ATOM 0 HZ2 LYS B 63 -5.584 -23.816 7.710 1.00 2.28 H new ATOM 0 HZ3 LYS B 63 -6.982 -24.215 8.586 1.00 2.28 H new ATOM 2249 N GLU B 64 -8.184 -19.128 3.852 1.00 0.75 N ATOM 2250 CA GLU B 64 -9.259 -18.136 3.966 1.00 0.79 C ATOM 2251 C GLU B 64 -8.779 -16.817 4.575 1.00 0.78 C ATOM 2252 O GLU B 64 -9.583 -16.045 5.102 1.00 0.90 O ATOM 2253 CB GLU B 64 -10.429 -18.697 4.787 1.00 0.88 C ATOM 2254 CG GLU B 64 -11.660 -19.028 3.956 1.00 1.05 C ATOM 2255 CD GLU B 64 -11.441 -20.193 3.012 1.00 1.32 C ATOM 2256 OE1 GLU B 64 -10.915 -21.238 3.456 1.00 1.43 O ATOM 2257 OE2 GLU B 64 -11.805 -20.077 1.821 1.00 2.17 O ATOM 0 H GLU B 64 -7.953 -19.374 2.890 1.00 0.75 H new ATOM 0 HA GLU B 64 -9.596 -17.923 2.952 1.00 0.79 H new ATOM 0 HB2 GLU B 64 -10.099 -19.598 5.304 1.00 0.88 H new ATOM 0 HB3 GLU B 64 -10.704 -17.972 5.553 1.00 0.88 H new ATOM 0 HG2 GLU B 64 -12.491 -19.259 4.623 1.00 1.05 H new ATOM 0 HG3 GLU B 64 -11.949 -18.149 3.379 1.00 1.05 H new ATOM 2264 N SER B 65 -7.483 -16.543 4.493 1.00 0.69 N ATOM 2265 CA SER B 65 -6.947 -15.299 5.035 1.00 0.70 C ATOM 2266 C SER B 65 -7.281 -14.131 4.114 1.00 0.66 C ATOM 2267 O SER B 65 -7.138 -14.231 2.893 1.00 0.63 O ATOM 2268 CB SER B 65 -5.434 -15.396 5.232 1.00 0.68 C ATOM 2269 OG SER B 65 -5.102 -16.462 6.103 1.00 0.74 O ATOM 0 H SER B 65 -6.791 -17.156 4.062 1.00 0.69 H new ATOM 0 HA SER B 65 -7.410 -15.127 6.007 1.00 0.70 H new ATOM 0 HB2 SER B 65 -4.947 -15.544 4.268 1.00 0.68 H new ATOM 0 HB3 SER B 65 -5.056 -14.458 5.639 1.00 0.68 H new ATOM 0 HG SER B 65 -5.329 -17.315 5.677 1.00 0.74 H new ATOM 2275 N THR B 66 -7.736 -13.035 4.701 1.00 0.70 N ATOM 2276 CA THR B 66 -8.095 -11.857 3.937 1.00 0.69 C ATOM 2277 C THR B 66 -6.909 -10.906 3.790 1.00 0.65 C ATOM 2278 O THR B 66 -6.415 -10.350 4.771 1.00 0.68 O ATOM 2279 CB THR B 66 -9.269 -11.110 4.598 1.00 0.79 C ATOM 2280 OG1 THR B 66 -10.277 -12.044 5.005 1.00 0.98 O ATOM 2281 CG2 THR B 66 -9.872 -10.091 3.642 1.00 0.88 C ATOM 0 H THR B 66 -7.865 -12.940 5.708 1.00 0.70 H new ATOM 0 HA THR B 66 -8.397 -12.197 2.946 1.00 0.69 H new ATOM 0 HB THR B 66 -8.888 -10.582 5.472 1.00 0.79 H new ATOM 0 HG1 THR B 66 -11.019 -11.562 5.426 1.00 0.98 H new ATOM 0 HG21 THR B 66 -10.699 -9.577 4.132 1.00 0.88 H new ATOM 0 HG22 THR B 66 -9.111 -9.365 3.357 1.00 0.88 H new ATOM 0 HG23 THR B 66 -10.239 -10.601 2.751 1.00 0.88 H new ATOM 2289 N LEU B 67 -6.447 -10.744 2.563 1.00 0.61 N ATOM 2290 CA LEU B 67 -5.339 -9.853 2.266 1.00 0.59 C ATOM 2291 C LEU B 67 -5.879 -8.540 1.711 1.00 0.58 C ATOM 2292 O LEU B 67 -7.037 -8.464 1.294 1.00 0.61 O ATOM 2293 CB LEU B 67 -4.390 -10.490 1.245 1.00 0.59 C ATOM 2294 CG LEU B 67 -4.030 -11.955 1.501 1.00 0.75 C ATOM 2295 CD1 LEU B 67 -3.157 -12.487 0.379 1.00 1.15 C ATOM 2296 CD2 LEU B 67 -3.325 -12.115 2.839 1.00 1.31 C ATOM 0 H LEU B 67 -6.827 -11.224 1.747 1.00 0.61 H new ATOM 0 HA LEU B 67 -4.785 -9.666 3.186 1.00 0.59 H new ATOM 0 HB2 LEU B 67 -4.844 -10.413 0.257 1.00 0.59 H new ATOM 0 HB3 LEU B 67 -3.469 -9.907 1.219 1.00 0.59 H new ATOM 0 HG LEU B 67 -4.954 -12.532 1.532 1.00 0.75 H new ATOM 0 HD11 LEU B 67 -2.909 -13.530 0.575 1.00 1.15 H new ATOM 0 HD12 LEU B 67 -3.694 -12.413 -0.566 1.00 1.15 H new ATOM 0 HD13 LEU B 67 -2.240 -11.900 0.322 1.00 1.15 H new ATOM 0 HD21 LEU B 67 -3.080 -13.165 2.998 1.00 1.31 H new ATOM 0 HD22 LEU B 67 -2.409 -11.524 2.841 1.00 1.31 H new ATOM 0 HD23 LEU B 67 -3.980 -11.771 3.639 1.00 1.31 H new ATOM 2308 N HIS B 68 -5.054 -7.508 1.715 1.00 0.59 N ATOM 2309 CA HIS B 68 -5.463 -6.213 1.198 1.00 0.60 C ATOM 2310 C HIS B 68 -4.596 -5.812 0.016 1.00 0.56 C ATOM 2311 O HIS B 68 -3.410 -5.539 0.174 1.00 0.65 O ATOM 2312 CB HIS B 68 -5.390 -5.150 2.292 1.00 0.70 C ATOM 2313 CG HIS B 68 -6.722 -4.806 2.880 1.00 1.14 C ATOM 2314 ND1 HIS B 68 -7.754 -5.714 2.997 1.00 1.91 N ATOM 2315 CD2 HIS B 68 -7.191 -3.643 3.386 1.00 1.76 C ATOM 2316 CE1 HIS B 68 -8.797 -5.121 3.545 1.00 2.20 C ATOM 2317 NE2 HIS B 68 -8.483 -3.864 3.792 1.00 2.10 N ATOM 0 H HIS B 68 -4.098 -7.541 2.070 1.00 0.59 H new ATOM 0 HA HIS B 68 -6.496 -6.292 0.860 1.00 0.60 H new ATOM 0 HB2 HIS B 68 -4.731 -5.502 3.086 1.00 0.70 H new ATOM 0 HB3 HIS B 68 -4.939 -4.247 1.881 1.00 0.70 H new ATOM 0 HD1 HIS B 68 -7.716 -6.691 2.705 1.00 1.91 H new ATOM 0 HD2 HIS B 68 -6.649 -2.712 3.457 1.00 1.76 H new ATOM 0 HE1 HIS B 68 -9.748 -5.587 3.756 1.00 2.20 H new ATOM 2326 N LEU B 69 -5.185 -5.798 -1.168 1.00 0.55 N ATOM 2327 CA LEU B 69 -4.458 -5.434 -2.376 1.00 0.51 C ATOM 2328 C LEU B 69 -4.624 -3.951 -2.685 1.00 0.52 C ATOM 2329 O LEU B 69 -5.716 -3.398 -2.569 1.00 0.70 O ATOM 2330 CB LEU B 69 -4.939 -6.271 -3.566 1.00 0.58 C ATOM 2331 CG LEU B 69 -4.243 -5.982 -4.899 1.00 0.56 C ATOM 2332 CD1 LEU B 69 -2.764 -6.324 -4.819 1.00 0.51 C ATOM 2333 CD2 LEU B 69 -4.908 -6.755 -6.026 1.00 0.71 C ATOM 0 H LEU B 69 -6.165 -6.034 -1.320 1.00 0.55 H new ATOM 0 HA LEU B 69 -3.401 -5.637 -2.204 1.00 0.51 H new ATOM 0 HB2 LEU B 69 -4.802 -7.325 -3.325 1.00 0.58 H new ATOM 0 HB3 LEU B 69 -6.010 -6.110 -3.692 1.00 0.58 H new ATOM 0 HG LEU B 69 -4.336 -4.916 -5.109 1.00 0.56 H new ATOM 0 HD11 LEU B 69 -2.289 -6.111 -5.777 1.00 0.51 H new ATOM 0 HD12 LEU B 69 -2.294 -5.725 -4.039 1.00 0.51 H new ATOM 0 HD13 LEU B 69 -2.647 -7.382 -4.583 1.00 0.51 H new ATOM 0 HD21 LEU B 69 -4.400 -6.537 -6.966 1.00 0.71 H new ATOM 0 HD22 LEU B 69 -4.847 -7.824 -5.820 1.00 0.71 H new ATOM 0 HD23 LEU B 69 -5.954 -6.459 -6.102 1.00 0.71 H new ATOM 2345 N VAL B 70 -3.529 -3.313 -3.051 1.00 0.40 N ATOM 2346 CA VAL B 70 -3.539 -1.904 -3.401 1.00 0.44 C ATOM 2347 C VAL B 70 -2.854 -1.712 -4.748 1.00 0.43 C ATOM 2348 O VAL B 70 -1.787 -2.276 -4.993 1.00 0.49 O ATOM 2349 CB VAL B 70 -2.841 -1.044 -2.320 1.00 0.47 C ATOM 2350 CG1 VAL B 70 -2.588 0.371 -2.819 1.00 1.14 C ATOM 2351 CG2 VAL B 70 -3.681 -1.014 -1.053 1.00 0.77 C ATOM 0 H VAL B 70 -2.611 -3.753 -3.114 1.00 0.40 H new ATOM 0 HA VAL B 70 -4.576 -1.574 -3.464 1.00 0.44 H new ATOM 0 HB VAL B 70 -1.876 -1.498 -2.097 1.00 0.47 H new ATOM 0 HG11 VAL B 70 -2.097 0.950 -2.037 1.00 1.14 H new ATOM 0 HG12 VAL B 70 -1.949 0.337 -3.701 1.00 1.14 H new ATOM 0 HG13 VAL B 70 -3.537 0.841 -3.077 1.00 1.14 H new ATOM 0 HG21 VAL B 70 -3.181 -0.406 -0.299 1.00 0.77 H new ATOM 0 HG22 VAL B 70 -4.658 -0.585 -1.275 1.00 0.77 H new ATOM 0 HG23 VAL B 70 -3.807 -2.029 -0.676 1.00 0.77 H new ATOM 2361 N LEU B 71 -3.481 -0.937 -5.623 1.00 0.44 N ATOM 2362 CA LEU B 71 -2.933 -0.684 -6.949 1.00 0.45 C ATOM 2363 C LEU B 71 -1.916 0.452 -6.910 1.00 0.52 C ATOM 2364 O LEU B 71 -2.215 1.559 -6.457 1.00 0.65 O ATOM 2365 CB LEU B 71 -4.060 -0.349 -7.931 1.00 0.52 C ATOM 2366 CG LEU B 71 -5.192 -1.378 -7.994 1.00 0.60 C ATOM 2367 CD1 LEU B 71 -6.326 -0.865 -8.868 1.00 0.99 C ATOM 2368 CD2 LEU B 71 -4.675 -2.713 -8.516 1.00 1.04 C ATOM 0 H LEU B 71 -4.370 -0.472 -5.438 1.00 0.44 H new ATOM 0 HA LEU B 71 -2.424 -1.587 -7.286 1.00 0.45 H new ATOM 0 HB2 LEU B 71 -4.483 0.618 -7.659 1.00 0.52 H new ATOM 0 HB3 LEU B 71 -3.632 -0.240 -8.928 1.00 0.52 H new ATOM 0 HG LEU B 71 -5.575 -1.531 -6.985 1.00 0.60 H new ATOM 0 HD11 LEU B 71 -7.123 -1.608 -8.903 1.00 0.99 H new ATOM 0 HD12 LEU B 71 -6.714 0.065 -8.452 1.00 0.99 H new ATOM 0 HD13 LEU B 71 -5.955 -0.684 -9.877 1.00 0.99 H new ATOM 0 HD21 LEU B 71 -5.494 -3.431 -8.553 1.00 1.04 H new ATOM 0 HD22 LEU B 71 -4.265 -2.578 -9.517 1.00 1.04 H new ATOM 0 HD23 LEU B 71 -3.896 -3.086 -7.852 1.00 1.04 H new ATOM 2380 N ARG B 72 -0.712 0.176 -7.390 1.00 0.70 N ATOM 2381 CA ARG B 72 0.355 1.171 -7.407 1.00 0.85 C ATOM 2382 C ARG B 72 0.312 1.986 -8.701 1.00 1.12 C ATOM 2383 O ARG B 72 1.290 2.040 -9.445 1.00 1.44 O ATOM 2384 CB ARG B 72 1.723 0.491 -7.253 1.00 1.05 C ATOM 2385 CG ARG B 72 2.693 1.234 -6.339 1.00 1.32 C ATOM 2386 CD ARG B 72 3.117 2.572 -6.927 1.00 1.27 C ATOM 2387 NE ARG B 72 4.252 3.155 -6.210 1.00 1.61 N ATOM 2388 CZ ARG B 72 4.195 4.280 -5.496 1.00 2.00 C ATOM 2389 NH1 ARG B 72 3.045 4.937 -5.371 1.00 2.37 N ATOM 2390 NH2 ARG B 72 5.293 4.741 -4.906 1.00 2.67 N ATOM 0 H ARG B 72 -0.447 -0.731 -7.774 1.00 0.70 H new ATOM 0 HA ARG B 72 0.204 1.849 -6.567 1.00 0.85 H new ATOM 0 HB2 ARG B 72 1.574 -0.516 -6.863 1.00 1.05 H new ATOM 0 HB3 ARG B 72 2.177 0.387 -8.238 1.00 1.05 H new ATOM 0 HG2 ARG B 72 2.225 1.396 -5.368 1.00 1.32 H new ATOM 0 HG3 ARG B 72 3.575 0.617 -6.168 1.00 1.32 H new ATOM 0 HD2 ARG B 72 3.382 2.439 -7.976 1.00 1.27 H new ATOM 0 HD3 ARG B 72 2.275 3.264 -6.896 1.00 1.27 H new ATOM 0 HE ARG B 72 5.147 2.668 -6.260 1.00 1.61 H new ATOM 0 HH11 ARG B 72 2.202 4.581 -5.822 1.00 2.37 H new ATOM 0 HH12 ARG B 72 3.006 5.797 -4.824 1.00 2.37 H new ATOM 0 HH21 ARG B 72 6.174 4.235 -5.000 1.00 2.67 H new ATOM 0 HH22 ARG B 72 5.255 5.601 -4.359 1.00 2.67 H new ATOM 2404 N LEU B 73 -0.825 2.614 -8.966 1.00 1.43 N ATOM 2405 CA LEU B 73 -0.982 3.431 -10.164 1.00 1.81 C ATOM 2406 C LEU B 73 -0.178 4.718 -10.021 1.00 2.25 C ATOM 2407 O LEU B 73 -0.494 5.569 -9.187 1.00 2.64 O ATOM 2408 CB LEU B 73 -2.461 3.758 -10.413 1.00 2.20 C ATOM 2409 CG LEU B 73 -3.168 2.885 -11.458 1.00 2.74 C ATOM 2410 CD1 LEU B 73 -2.553 3.084 -12.835 1.00 3.46 C ATOM 2411 CD2 LEU B 73 -3.118 1.418 -11.060 1.00 3.06 C ATOM 0 H LEU B 73 -1.652 2.574 -8.370 1.00 1.43 H new ATOM 0 HA LEU B 73 -0.609 2.867 -11.019 1.00 1.81 H new ATOM 0 HB2 LEU B 73 -2.998 3.669 -9.469 1.00 2.20 H new ATOM 0 HB3 LEU B 73 -2.536 4.800 -10.725 1.00 2.20 H new ATOM 0 HG LEU B 73 -4.213 3.193 -11.502 1.00 2.74 H new ATOM 0 HD11 LEU B 73 -3.071 2.455 -13.559 1.00 3.46 H new ATOM 0 HD12 LEU B 73 -2.649 4.129 -13.129 1.00 3.46 H new ATOM 0 HD13 LEU B 73 -1.498 2.811 -12.805 1.00 3.46 H new ATOM 0 HD21 LEU B 73 -3.625 0.818 -11.816 1.00 3.06 H new ATOM 0 HD22 LEU B 73 -2.079 1.098 -10.980 1.00 3.06 H new ATOM 0 HD23 LEU B 73 -3.614 1.285 -10.098 1.00 3.06 H new ATOM 2423 N ARG B 74 0.869 4.845 -10.822 1.00 2.57 N ATOM 2424 CA ARG B 74 1.729 6.020 -10.777 1.00 3.21 C ATOM 2425 C ARG B 74 1.252 7.083 -11.759 1.00 3.66 C ATOM 2426 O ARG B 74 1.423 8.278 -11.521 1.00 4.13 O ATOM 2427 CB ARG B 74 3.178 5.639 -11.088 1.00 3.52 C ATOM 2428 CG ARG B 74 3.751 4.600 -10.139 1.00 3.95 C ATOM 2429 CD ARG B 74 5.258 4.461 -10.306 1.00 3.89 C ATOM 2430 NE ARG B 74 5.976 5.629 -9.795 1.00 3.86 N ATOM 2431 CZ ARG B 74 7.094 6.117 -10.330 1.00 3.91 C ATOM 2432 NH1 ARG B 74 7.659 5.522 -11.376 1.00 3.94 N ATOM 2433 NH2 ARG B 74 7.647 7.207 -9.811 1.00 4.46 N ATOM 0 H ARG B 74 1.145 4.147 -11.513 1.00 2.57 H new ATOM 0 HA ARG B 74 1.679 6.431 -9.769 1.00 3.21 H new ATOM 0 HB2 ARG B 74 3.234 5.258 -12.108 1.00 3.52 H new ATOM 0 HB3 ARG B 74 3.797 6.535 -11.049 1.00 3.52 H new ATOM 0 HG2 ARG B 74 3.522 4.880 -9.111 1.00 3.95 H new ATOM 0 HG3 ARG B 74 3.274 3.637 -10.321 1.00 3.95 H new ATOM 0 HD2 ARG B 74 5.600 3.568 -9.783 1.00 3.89 H new ATOM 0 HD3 ARG B 74 5.495 4.323 -11.361 1.00 3.89 H new ATOM 0 HE ARG B 74 5.595 6.101 -8.975 1.00 3.86 H new ATOM 0 HH11 ARG B 74 7.236 4.684 -11.776 1.00 3.94 H new ATOM 0 HH12 ARG B 74 8.515 5.903 -11.779 1.00 3.94 H new ATOM 0 HH21 ARG B 74 7.216 7.665 -9.008 1.00 4.46 H new ATOM 0 HH22 ARG B 74 8.503 7.586 -10.215 1.00 4.46 H new ATOM 2447 N GLY B 75 0.648 6.640 -12.855 1.00 3.91 N ATOM 2448 CA GLY B 75 0.150 7.561 -13.860 1.00 4.54 C ATOM 2449 C GLY B 75 -1.200 8.139 -13.483 1.00 4.82 C ATOM 2450 O GLY B 75 -2.197 7.906 -14.167 1.00 5.30 O ATOM 0 H GLY B 75 0.493 5.654 -13.067 1.00 3.91 H new ATOM 0 HA2 GLY B 75 0.866 8.372 -13.995 1.00 4.54 H new ATOM 0 HA3 GLY B 75 0.069 7.044 -14.816 1.00 4.54 H new ATOM 2454 N GLY B 76 -1.229 8.875 -12.385 1.00 4.83 N ATOM 2455 CA GLY B 76 -2.456 9.472 -11.917 1.00 5.27 C ATOM 2456 C GLY B 76 -2.598 9.316 -10.424 1.00 5.46 C ATOM 2457 O GLY B 76 -1.565 9.354 -9.721 1.00 5.28 O ATOM 2458 OXT GLY B 76 -3.732 9.118 -9.942 1.00 6.13 O ATOM 0 H GLY B 76 -0.413 9.070 -11.805 1.00 4.83 H new ATOM 0 HA2 GLY B 76 -2.473 10.530 -12.179 1.00 5.27 H new ATOM 0 HA3 GLY B 76 -3.305 9.006 -12.417 1.00 5.27 H new TER 2462 GLY B 76