USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 911 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 THR OG1 : rot 107:sc= 0.0582 USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= 0.0551 USER MOD Set 2.1: A 35 GLN : amide:sc= -0.911 X(o=0.26,f=-0.015) USER MOD Set 2.2: A 39 THR OG1 : rot 89:sc= 1.17 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -56:sc= 0.506 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 4 MET CE :methyl -168:sc= 0 (180deg=-0.162) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.0327 X(o=-0.033,f=-0.013) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 146:sc= -0.395 (180deg=-2.07!) USER MOD Single : A 23 GLN : amide:sc=-0.000137 X(o=-0.00014,f=-0.062) USER MOD Single : A 25 CYS SG : rot -114:sc= 0.0519 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.158 F(o=-0.73,f=-0.16) USER MOD Single : A 36 GLN :FLIP amide:sc= -2 F(o=-3.6!,f=-2) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= 0.38 F(o=-0.18,f=0.38) USER MOD Single : A 50 GLN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 52 SER OG : rot -55:sc= 0.54 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.151 USER MOD Single : A 62 SER OG : rot 180:sc= -0.296 USER MOD Single : A 63 ASN : amide:sc= -0.0861 X(o=-0.086,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.821 K(o=-0.82,f=-1.5) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HE2:sc= 0.018 K(o=0.018,f=-3.5!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.1) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.112 F(o=-0.63,f=-0.11) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.309 (180deg=-0.846) USER MOD Single : A 99 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 101 SER OG : rot 180:sc= 0.138 USER MOD Single : A 105 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 151:sc= -0.183 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.200 19.065 -6.052 1.00 14.04 N ATOM 2 CA GLY A 1 -2.515 17.759 -6.262 1.00 13.85 C ATOM 3 C GLY A 1 -1.049 17.805 -5.876 1.00 13.29 C ATOM 4 O GLY A 1 -0.291 18.623 -6.398 1.00 13.45 O ATOM 0 H1 GLY A 1 -4.199 18.982 -6.330 1.00 14.04 H new ATOM 0 H2 GLY A 1 -3.141 19.330 -5.048 1.00 14.04 H new ATOM 0 H3 GLY A 1 -2.739 19.796 -6.631 1.00 14.04 H new ATOM 0 HA2 GLY A 1 -3.018 16.990 -5.676 1.00 13.85 H new ATOM 0 HA3 GLY A 1 -2.603 17.470 -7.309 1.00 13.85 H new ATOM 10 N SER A 2 -0.654 16.921 -4.960 1.00 12.81 N ATOM 11 CA SER A 2 0.729 16.849 -4.492 1.00 12.44 C ATOM 12 C SER A 2 1.117 18.113 -3.728 1.00 11.66 C ATOM 13 O SER A 2 0.873 19.229 -4.185 1.00 11.62 O ATOM 14 CB SER A 2 1.687 16.628 -5.667 1.00 13.00 C ATOM 15 OG SER A 2 2.368 17.822 -6.005 1.00 13.39 O ATOM 0 H SER A 2 -1.277 16.241 -4.525 1.00 12.81 H new ATOM 0 HA SER A 2 0.806 16.000 -3.812 1.00 12.44 H new ATOM 0 HB2 SER A 2 2.410 15.854 -5.409 1.00 13.00 H new ATOM 0 HB3 SER A 2 1.129 16.267 -6.531 1.00 13.00 H new ATOM 0 HG SER A 2 1.716 18.528 -6.195 1.00 13.39 H new ATOM 21 N HIS A 3 1.727 17.927 -2.561 1.00 11.24 N ATOM 22 CA HIS A 3 2.148 19.051 -1.731 1.00 10.68 C ATOM 23 C HIS A 3 3.417 18.711 -0.956 1.00 9.83 C ATOM 24 O HIS A 3 3.948 17.606 -1.069 1.00 9.74 O ATOM 25 CB HIS A 3 1.032 19.439 -0.761 1.00 11.22 C ATOM 26 CG HIS A 3 0.425 20.778 -1.051 1.00 11.78 C ATOM 27 ND1 HIS A 3 -0.882 20.940 -1.454 1.00 12.09 N ATOM 28 CD2 HIS A 3 0.955 22.022 -0.989 1.00 12.30 C ATOM 29 CE1 HIS A 3 -1.131 22.226 -1.629 1.00 12.74 C ATOM 30 NE2 HIS A 3 -0.033 22.903 -1.353 1.00 12.87 N ATOM 0 H HIS A 3 1.941 17.010 -2.169 1.00 11.24 H new ATOM 0 HA HIS A 3 2.361 19.895 -2.386 1.00 10.68 H new ATOM 0 HB2 HIS A 3 0.251 18.680 -0.796 1.00 11.22 H new ATOM 0 HB3 HIS A 3 1.429 19.441 0.254 1.00 11.22 H new ATOM 0 HD2 HIS A 3 1.966 22.274 -0.706 1.00 12.30 H new ATOM 0 HE1 HIS A 3 -2.073 22.650 -1.944 1.00 12.74 H new ATOM 0 HE2 HIS A 3 0.066 23.917 -1.402 1.00 12.87 H new ATOM 39 N MET A 4 3.895 19.671 -0.166 1.00 9.43 N ATOM 40 CA MET A 4 5.102 19.483 0.634 1.00 8.83 C ATOM 41 C MET A 4 6.286 19.090 -0.245 1.00 8.04 C ATOM 42 O MET A 4 6.661 17.920 -0.314 1.00 8.16 O ATOM 43 CB MET A 4 4.871 18.416 1.706 1.00 9.24 C ATOM 44 CG MET A 4 4.230 18.955 2.975 1.00 9.89 C ATOM 45 SD MET A 4 4.060 17.696 4.255 1.00 10.81 S ATOM 46 CE MET A 4 2.756 16.682 3.562 1.00 11.46 C ATOM 0 H MET A 4 3.463 20.589 -0.063 1.00 9.43 H new ATOM 0 HA MET A 4 5.333 20.431 1.120 1.00 8.83 H new ATOM 0 HB2 MET A 4 4.237 17.631 1.294 1.00 9.24 H new ATOM 0 HB3 MET A 4 5.826 17.955 1.959 1.00 9.24 H new ATOM 0 HG2 MET A 4 4.831 19.779 3.359 1.00 9.89 H new ATOM 0 HG3 MET A 4 3.247 19.361 2.737 1.00 9.89 H new ATOM 0 HE1 MET A 4 2.389 15.992 4.322 1.00 11.46 H new ATOM 0 HE2 MET A 4 1.938 17.320 3.227 1.00 11.46 H new ATOM 0 HE3 MET A 4 3.146 16.117 2.716 1.00 11.46 H new ATOM 56 N SER A 5 6.869 20.079 -0.918 1.00 7.48 N ATOM 57 CA SER A 5 8.012 19.838 -1.793 1.00 6.96 C ATOM 58 C SER A 5 9.307 20.314 -1.140 1.00 5.97 C ATOM 59 O SER A 5 9.871 21.337 -1.528 1.00 5.85 O ATOM 60 CB SER A 5 7.811 20.548 -3.135 1.00 7.28 C ATOM 61 OG SER A 5 6.519 20.294 -3.658 1.00 7.75 O ATOM 0 H SER A 5 6.569 21.053 -0.874 1.00 7.48 H new ATOM 0 HA SER A 5 8.087 18.764 -1.965 1.00 6.96 H new ATOM 0 HB2 SER A 5 7.950 21.621 -3.006 1.00 7.28 H new ATOM 0 HB3 SER A 5 8.567 20.211 -3.845 1.00 7.28 H new ATOM 0 HG SER A 5 6.415 20.760 -4.514 1.00 7.75 H new ATOM 67 N HIS A 6 9.770 19.563 -0.145 1.00 5.62 N ATOM 68 CA HIS A 6 10.998 19.905 0.565 1.00 5.03 C ATOM 69 C HIS A 6 11.492 18.726 1.396 1.00 4.34 C ATOM 70 O HIS A 6 12.525 18.812 2.061 1.00 4.70 O ATOM 71 CB HIS A 6 10.769 21.118 1.468 1.00 5.60 C ATOM 72 CG HIS A 6 11.825 22.171 1.336 1.00 6.21 C ATOM 73 ND1 HIS A 6 12.551 22.647 2.408 1.00 6.80 N ATOM 74 CD2 HIS A 6 12.281 22.841 0.250 1.00 6.70 C ATOM 75 CE1 HIS A 6 13.404 23.565 1.987 1.00 7.53 C ATOM 76 NE2 HIS A 6 13.260 23.700 0.682 1.00 7.49 N ATOM 0 H HIS A 6 9.313 18.714 0.188 1.00 5.62 H new ATOM 0 HA HIS A 6 11.760 20.150 -0.175 1.00 5.03 H new ATOM 0 HB2 HIS A 6 9.799 21.557 1.234 1.00 5.60 H new ATOM 0 HB3 HIS A 6 10.727 20.786 2.505 1.00 5.60 H new ATOM 0 HD2 HIS A 6 11.938 22.721 -0.767 1.00 6.70 H new ATOM 0 HE1 HIS A 6 14.100 24.112 2.606 1.00 7.53 H new ATOM 0 HE2 HIS A 6 13.791 24.339 0.090 1.00 7.49 H new ATOM 85 N LEU A 7 10.747 17.625 1.354 1.00 3.79 N ATOM 86 CA LEU A 7 11.107 16.427 2.105 1.00 3.54 C ATOM 87 C LEU A 7 11.481 15.287 1.162 1.00 3.05 C ATOM 88 O LEU A 7 11.636 15.488 -0.042 1.00 3.39 O ATOM 89 CB LEU A 7 9.951 16.001 3.011 1.00 4.07 C ATOM 90 CG LEU A 7 9.788 16.831 4.285 1.00 4.94 C ATOM 91 CD1 LEU A 7 8.390 16.660 4.858 1.00 5.66 C ATOM 92 CD2 LEU A 7 10.840 16.441 5.313 1.00 5.67 C ATOM 0 H LEU A 7 9.890 17.538 0.808 1.00 3.79 H new ATOM 0 HA LEU A 7 11.974 16.661 2.723 1.00 3.54 H new ATOM 0 HB2 LEU A 7 9.024 16.053 2.440 1.00 4.07 H new ATOM 0 HB3 LEU A 7 10.094 14.957 3.291 1.00 4.07 H new ATOM 0 HG LEU A 7 9.928 17.882 4.032 1.00 4.94 H new ATOM 0 HD11 LEU A 7 8.293 17.258 5.764 1.00 5.66 H new ATOM 0 HD12 LEU A 7 7.654 16.989 4.125 1.00 5.66 H new ATOM 0 HD13 LEU A 7 8.220 15.610 5.096 1.00 5.66 H new ATOM 0 HD21 LEU A 7 10.709 17.041 6.213 1.00 5.67 H new ATOM 0 HD22 LEU A 7 10.732 15.385 5.562 1.00 5.67 H new ATOM 0 HD23 LEU A 7 11.834 16.616 4.901 1.00 5.67 H new ATOM 104 N ASP A 8 11.621 14.088 1.722 1.00 2.65 N ATOM 105 CA ASP A 8 11.976 12.912 0.935 1.00 2.38 C ATOM 106 C ASP A 8 10.799 12.454 0.078 1.00 2.22 C ATOM 107 O ASP A 8 9.684 12.292 0.573 1.00 2.74 O ATOM 108 CB ASP A 8 12.428 11.774 1.853 1.00 2.57 C ATOM 109 CG ASP A 8 11.706 11.783 3.186 1.00 3.32 C ATOM 110 OD1 ASP A 8 10.515 11.408 3.218 1.00 3.86 O ATOM 111 OD2 ASP A 8 12.331 12.166 4.197 1.00 3.77 O ATOM 0 H ASP A 8 11.494 13.906 2.718 1.00 2.65 H new ATOM 0 HA ASP A 8 12.799 13.184 0.274 1.00 2.38 H new ATOM 0 HB2 ASP A 8 12.255 10.820 1.356 1.00 2.57 H new ATOM 0 HB3 ASP A 8 13.502 11.854 2.024 1.00 2.57 H new ATOM 116 N ASN A 9 11.057 12.247 -1.210 1.00 1.98 N ATOM 117 CA ASN A 9 10.020 11.808 -2.138 1.00 2.16 C ATOM 118 C ASN A 9 10.560 10.750 -3.095 1.00 1.77 C ATOM 119 O ASN A 9 11.734 10.776 -3.465 1.00 2.00 O ATOM 120 CB ASN A 9 9.478 13.000 -2.927 1.00 2.89 C ATOM 121 CG ASN A 9 7.969 12.958 -3.077 1.00 3.63 C ATOM 122 OD1 ASN A 9 7.438 12.262 -3.942 1.00 4.06 O ATOM 123 ND2 ASN A 9 7.269 13.707 -2.233 1.00 4.31 N ATOM 0 H ASN A 9 11.975 12.376 -1.635 1.00 1.98 H new ATOM 0 HA ASN A 9 9.209 11.366 -1.559 1.00 2.16 H new ATOM 0 HB2 ASN A 9 9.765 13.924 -2.426 1.00 2.89 H new ATOM 0 HB3 ASN A 9 9.938 13.017 -3.915 1.00 2.89 H new ATOM 0 HD21 ASN A 9 6.251 13.720 -2.287 1.00 4.31 H new ATOM 0 HD22 ASN A 9 7.750 14.269 -1.531 1.00 4.31 H new ATOM 130 N THR A 10 9.695 9.822 -3.492 1.00 1.51 N ATOM 131 CA THR A 10 10.083 8.755 -4.407 1.00 1.25 C ATOM 132 C THR A 10 9.252 8.800 -5.687 1.00 1.22 C ATOM 133 O THR A 10 9.690 9.342 -6.701 1.00 1.93 O ATOM 134 CB THR A 10 9.931 7.368 -3.753 1.00 1.11 C ATOM 135 OG1 THR A 10 9.048 7.448 -2.628 1.00 1.23 O ATOM 136 CG2 THR A 10 11.281 6.828 -3.306 1.00 1.18 C ATOM 0 H THR A 10 8.720 9.788 -3.194 1.00 1.51 H new ATOM 0 HA THR A 10 11.133 8.915 -4.654 1.00 1.25 H new ATOM 0 HB THR A 10 9.512 6.688 -4.495 1.00 1.11 H new ATOM 0 HG1 THR A 10 8.956 6.562 -2.220 1.00 1.23 H new ATOM 0 HG21 THR A 10 11.147 5.848 -2.848 1.00 1.18 H new ATOM 0 HG22 THR A 10 11.941 6.738 -4.169 1.00 1.18 H new ATOM 0 HG23 THR A 10 11.724 7.511 -2.581 1.00 1.18 H new ATOM 144 N MET A 11 8.052 8.229 -5.631 1.00 0.77 N ATOM 145 CA MET A 11 7.160 8.209 -6.785 1.00 0.68 C ATOM 146 C MET A 11 5.727 7.924 -6.357 1.00 0.61 C ATOM 147 O MET A 11 5.443 6.883 -5.764 1.00 0.63 O ATOM 148 CB MET A 11 7.616 7.159 -7.804 1.00 0.70 C ATOM 149 CG MET A 11 7.946 5.808 -7.187 1.00 0.72 C ATOM 150 SD MET A 11 8.658 4.657 -8.379 1.00 1.23 S ATOM 151 CE MET A 11 7.297 3.514 -8.606 1.00 0.74 C ATOM 0 H MET A 11 7.676 7.774 -4.799 1.00 0.77 H new ATOM 0 HA MET A 11 7.197 9.193 -7.252 1.00 0.68 H new ATOM 0 HB2 MET A 11 6.832 7.026 -8.550 1.00 0.70 H new ATOM 0 HB3 MET A 11 8.495 7.533 -8.329 1.00 0.70 H new ATOM 0 HG2 MET A 11 8.645 5.950 -6.363 1.00 0.72 H new ATOM 0 HG3 MET A 11 7.039 5.374 -6.765 1.00 0.72 H new ATOM 0 HE1 MET A 11 7.290 3.157 -9.636 1.00 0.74 H new ATOM 0 HE2 MET A 11 7.416 2.668 -7.929 1.00 0.74 H new ATOM 0 HE3 MET A 11 6.356 4.021 -8.391 1.00 0.74 H new ATOM 161 N ALA A 12 4.829 8.858 -6.654 1.00 0.57 N ATOM 162 CA ALA A 12 3.421 8.704 -6.310 1.00 0.56 C ATOM 163 C ALA A 12 2.895 7.357 -6.782 1.00 0.48 C ATOM 164 O ALA A 12 3.419 6.772 -7.730 1.00 0.46 O ATOM 165 CB ALA A 12 2.603 9.835 -6.913 1.00 0.62 C ATOM 0 H ALA A 12 5.052 9.730 -7.133 1.00 0.57 H new ATOM 0 HA ALA A 12 3.326 8.745 -5.225 1.00 0.56 H new ATOM 0 HB1 ALA A 12 1.554 9.707 -6.648 1.00 0.62 H new ATOM 0 HB2 ALA A 12 2.961 10.789 -6.526 1.00 0.62 H new ATOM 0 HB3 ALA A 12 2.707 9.821 -7.998 1.00 0.62 H new ATOM 171 N ILE A 13 1.864 6.869 -6.107 1.00 0.46 N ATOM 172 CA ILE A 13 1.255 5.592 -6.448 1.00 0.44 C ATOM 173 C ILE A 13 0.899 5.537 -7.933 1.00 0.43 C ATOM 174 O ILE A 13 0.844 4.459 -8.528 1.00 0.45 O ATOM 175 CB ILE A 13 -0.001 5.347 -5.579 1.00 0.48 C ATOM 176 CG1 ILE A 13 0.339 4.429 -4.405 1.00 0.65 C ATOM 177 CG2 ILE A 13 -1.148 4.764 -6.396 1.00 0.54 C ATOM 178 CD1 ILE A 13 -0.141 4.954 -3.069 1.00 0.58 C ATOM 0 H ILE A 13 1.430 7.342 -5.315 1.00 0.46 H new ATOM 0 HA ILE A 13 1.979 4.803 -6.245 1.00 0.44 H new ATOM 0 HB ILE A 13 -0.331 6.312 -5.193 1.00 0.48 H new ATOM 0 HG12 ILE A 13 -0.103 3.448 -4.581 1.00 0.65 H new ATOM 0 HG13 ILE A 13 1.419 4.289 -4.365 1.00 0.65 H new ATOM 0 HG21 ILE A 13 -2.012 4.606 -5.750 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -1.414 5.456 -7.195 1.00 0.54 H new ATOM 0 HG23 ILE A 13 -0.840 3.812 -6.828 1.00 0.54 H new ATOM 0 HD11 ILE A 13 0.135 4.252 -2.282 1.00 0.58 H new ATOM 0 HD12 ILE A 13 0.321 5.921 -2.871 1.00 0.58 H new ATOM 0 HD13 ILE A 13 -1.225 5.067 -3.091 1.00 0.58 H new ATOM 190 N ARG A 14 0.665 6.706 -8.528 1.00 0.47 N ATOM 191 CA ARG A 14 0.326 6.794 -9.937 1.00 0.53 C ATOM 192 C ARG A 14 1.377 6.084 -10.784 1.00 0.51 C ATOM 193 O ARG A 14 1.051 5.419 -11.768 1.00 0.66 O ATOM 194 CB ARG A 14 0.209 8.260 -10.348 1.00 0.62 C ATOM 195 CG ARG A 14 1.500 9.048 -10.196 1.00 1.28 C ATOM 196 CD ARG A 14 2.161 9.297 -11.543 1.00 1.42 C ATOM 197 NE ARG A 14 3.150 10.369 -11.480 1.00 1.82 N ATOM 198 CZ ARG A 14 4.007 10.638 -12.459 1.00 2.23 C ATOM 199 NH1 ARG A 14 3.999 9.913 -13.570 1.00 2.63 N ATOM 200 NH2 ARG A 14 4.874 11.634 -12.329 1.00 2.82 N ATOM 0 H ARG A 14 0.706 7.606 -8.049 1.00 0.47 H new ATOM 0 HA ARG A 14 -0.633 6.302 -10.102 1.00 0.53 H new ATOM 0 HB2 ARG A 14 -0.116 8.311 -11.387 1.00 0.62 H new ATOM 0 HB3 ARG A 14 -0.567 8.734 -9.748 1.00 0.62 H new ATOM 0 HG2 ARG A 14 1.291 10.001 -9.710 1.00 1.28 H new ATOM 0 HG3 ARG A 14 2.186 8.503 -9.548 1.00 1.28 H new ATOM 0 HD2 ARG A 14 2.642 8.381 -11.885 1.00 1.42 H new ATOM 0 HD3 ARG A 14 1.398 9.551 -12.279 1.00 1.42 H new ATOM 0 HE ARG A 14 3.185 10.943 -10.638 1.00 1.82 H new ATOM 0 HH11 ARG A 14 3.334 9.147 -13.674 1.00 2.63 H new ATOM 0 HH12 ARG A 14 4.658 10.122 -14.320 1.00 2.63 H new ATOM 0 HH21 ARG A 14 4.883 12.194 -11.477 1.00 2.82 H new ATOM 0 HH22 ARG A 14 5.531 11.839 -13.081 1.00 2.82 H new ATOM 214 N LEU A 15 2.640 6.232 -10.393 1.00 0.43 N ATOM 215 CA LEU A 15 3.740 5.594 -11.104 1.00 0.46 C ATOM 216 C LEU A 15 3.676 4.084 -10.917 1.00 0.42 C ATOM 217 O LEU A 15 3.798 3.322 -11.877 1.00 0.44 O ATOM 218 CB LEU A 15 5.084 6.129 -10.605 1.00 0.54 C ATOM 219 CG LEU A 15 6.114 6.412 -11.700 1.00 0.64 C ATOM 220 CD1 LEU A 15 7.045 7.539 -11.280 1.00 1.44 C ATOM 221 CD2 LEU A 15 6.907 5.154 -12.022 1.00 1.51 C ATOM 0 H LEU A 15 2.925 6.789 -9.587 1.00 0.43 H new ATOM 0 HA LEU A 15 3.648 5.825 -12.165 1.00 0.46 H new ATOM 0 HB2 LEU A 15 4.907 7.048 -10.047 1.00 0.54 H new ATOM 0 HB3 LEU A 15 5.508 5.408 -9.906 1.00 0.54 H new ATOM 0 HG LEU A 15 5.584 6.724 -12.600 1.00 0.64 H new ATOM 0 HD11 LEU A 15 7.771 7.726 -12.072 1.00 1.44 H new ATOM 0 HD12 LEU A 15 6.464 8.443 -11.100 1.00 1.44 H new ATOM 0 HD13 LEU A 15 7.569 7.257 -10.367 1.00 1.44 H new ATOM 0 HD21 LEU A 15 7.635 5.373 -12.803 1.00 1.51 H new ATOM 0 HD22 LEU A 15 7.427 4.812 -11.127 1.00 1.51 H new ATOM 0 HD23 LEU A 15 6.228 4.374 -12.367 1.00 1.51 H new ATOM 233 N LEU A 16 3.489 3.661 -9.669 1.00 0.38 N ATOM 234 CA LEU A 16 3.394 2.243 -9.342 1.00 0.38 C ATOM 235 C LEU A 16 2.331 1.559 -10.201 1.00 0.36 C ATOM 236 O LEU A 16 1.142 1.839 -10.055 1.00 0.35 O ATOM 237 CB LEU A 16 3.050 2.062 -7.860 1.00 0.39 C ATOM 238 CG LEU A 16 3.749 0.891 -7.161 1.00 0.67 C ATOM 239 CD1 LEU A 16 3.489 -0.414 -7.898 1.00 0.92 C ATOM 240 CD2 LEU A 16 5.242 1.152 -7.056 1.00 0.93 C ATOM 0 H LEU A 16 3.400 4.284 -8.866 1.00 0.38 H new ATOM 0 HA LEU A 16 4.361 1.783 -9.547 1.00 0.38 H new ATOM 0 HB2 LEU A 16 3.302 2.981 -7.331 1.00 0.39 H new ATOM 0 HB3 LEU A 16 1.972 1.927 -7.769 1.00 0.39 H new ATOM 0 HG LEU A 16 3.339 0.801 -6.155 1.00 0.67 H new ATOM 0 HD11 LEU A 16 3.996 -1.230 -7.383 1.00 0.92 H new ATOM 0 HD12 LEU A 16 2.417 -0.610 -7.923 1.00 0.92 H new ATOM 0 HD13 LEU A 16 3.868 -0.338 -8.917 1.00 0.92 H new ATOM 0 HD21 LEU A 16 5.724 0.311 -6.557 1.00 0.93 H new ATOM 0 HD22 LEU A 16 5.662 1.271 -8.055 1.00 0.93 H new ATOM 0 HD23 LEU A 16 5.413 2.062 -6.480 1.00 0.93 H new ATOM 252 N PRO A 17 2.742 0.655 -11.110 1.00 0.38 N ATOM 253 CA PRO A 17 1.805 -0.062 -11.982 1.00 0.40 C ATOM 254 C PRO A 17 0.656 -0.694 -11.202 1.00 0.35 C ATOM 255 O PRO A 17 0.857 -1.641 -10.440 1.00 0.35 O ATOM 256 CB PRO A 17 2.674 -1.142 -12.626 1.00 0.46 C ATOM 257 CG PRO A 17 4.049 -0.572 -12.617 1.00 0.48 C ATOM 258 CD PRO A 17 4.144 0.262 -11.369 1.00 0.43 C ATOM 0 HA PRO A 17 1.327 0.603 -12.702 1.00 0.40 H new ATOM 0 HB2 PRO A 17 2.628 -2.075 -12.064 1.00 0.46 H new ATOM 0 HB3 PRO A 17 2.343 -1.364 -13.641 1.00 0.46 H new ATOM 0 HG2 PRO A 17 4.799 -1.363 -12.616 1.00 0.48 H new ATOM 0 HG3 PRO A 17 4.226 0.034 -13.506 1.00 0.48 H new ATOM 0 HD2 PRO A 17 4.562 -0.306 -10.538 1.00 0.43 H new ATOM 0 HD3 PRO A 17 4.784 1.132 -11.515 1.00 0.43 H new ATOM 266 N LEU A 18 -0.546 -0.159 -11.397 1.00 0.40 N ATOM 267 CA LEU A 18 -1.735 -0.665 -10.717 1.00 0.41 C ATOM 268 C LEU A 18 -1.915 -2.173 -10.934 1.00 0.36 C ATOM 269 O LEU A 18 -2.136 -2.907 -9.971 1.00 0.37 O ATOM 270 CB LEU A 18 -2.984 0.089 -11.184 1.00 0.51 C ATOM 271 CG LEU A 18 -3.779 0.776 -10.071 1.00 0.76 C ATOM 272 CD1 LEU A 18 -4.691 1.848 -10.646 1.00 1.36 C ATOM 273 CD2 LEU A 18 -4.584 -0.246 -9.282 1.00 1.64 C ATOM 0 H LEU A 18 -0.723 0.627 -12.022 1.00 0.40 H new ATOM 0 HA LEU A 18 -1.596 -0.496 -9.649 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -2.684 0.842 -11.913 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -3.641 -0.611 -11.700 1.00 0.51 H new ATOM 0 HG LEU A 18 -3.074 1.256 -9.392 1.00 0.76 H new ATOM 0 HD11 LEU A 18 -5.247 2.324 -9.838 1.00 1.36 H new ATOM 0 HD12 LEU A 18 -4.091 2.596 -11.164 1.00 1.36 H new ATOM 0 HD13 LEU A 18 -5.389 1.393 -11.348 1.00 1.36 H new ATOM 0 HD21 LEU A 18 -5.143 0.260 -8.495 1.00 1.64 H new ATOM 0 HD22 LEU A 18 -5.278 -0.756 -9.950 1.00 1.64 H new ATOM 0 HD23 LEU A 18 -3.908 -0.975 -8.835 1.00 1.64 H new ATOM 285 N PRO A 19 -1.831 -2.666 -12.193 1.00 0.36 N ATOM 286 CA PRO A 19 -1.988 -4.095 -12.485 1.00 0.41 C ATOM 287 C PRO A 19 -1.078 -4.963 -11.623 1.00 0.39 C ATOM 288 O PRO A 19 -1.378 -6.130 -11.367 1.00 0.44 O ATOM 289 CB PRO A 19 -1.607 -4.224 -13.968 1.00 0.49 C ATOM 290 CG PRO A 19 -0.987 -2.917 -14.340 1.00 0.59 C ATOM 291 CD PRO A 19 -1.588 -1.894 -13.423 1.00 0.40 C ATOM 0 HA PRO A 19 -3.001 -4.436 -12.271 1.00 0.41 H new ATOM 0 HB2 PRO A 19 -0.909 -5.047 -14.123 1.00 0.49 H new ATOM 0 HB3 PRO A 19 -2.484 -4.430 -14.581 1.00 0.49 H new ATOM 0 HG2 PRO A 19 0.096 -2.953 -14.226 1.00 0.59 H new ATOM 0 HG3 PRO A 19 -1.190 -2.672 -15.383 1.00 0.59 H new ATOM 0 HD2 PRO A 19 -0.911 -1.058 -13.249 1.00 0.40 H new ATOM 0 HD3 PRO A 19 -2.510 -1.478 -13.829 1.00 0.40 H new ATOM 299 N VAL A 20 0.034 -4.388 -11.175 1.00 0.38 N ATOM 300 CA VAL A 20 0.980 -5.110 -10.332 1.00 0.44 C ATOM 301 C VAL A 20 0.565 -5.021 -8.867 1.00 0.42 C ATOM 302 O VAL A 20 0.640 -6.004 -8.130 1.00 0.46 O ATOM 303 CB VAL A 20 2.412 -4.563 -10.488 1.00 0.51 C ATOM 304 CG1 VAL A 20 3.383 -5.346 -9.616 1.00 0.65 C ATOM 305 CG2 VAL A 20 2.843 -4.608 -11.946 1.00 0.56 C ATOM 0 H VAL A 20 0.302 -3.426 -11.381 1.00 0.38 H new ATOM 0 HA VAL A 20 0.970 -6.151 -10.654 1.00 0.44 H new ATOM 0 HB VAL A 20 2.421 -3.524 -10.159 1.00 0.51 H new ATOM 0 HG11 VAL A 20 4.389 -4.944 -9.740 1.00 0.65 H new ATOM 0 HG12 VAL A 20 3.084 -5.260 -8.571 1.00 0.65 H new ATOM 0 HG13 VAL A 20 3.372 -6.395 -9.911 1.00 0.65 H new ATOM 0 HG21 VAL A 20 3.857 -4.218 -12.038 1.00 0.56 H new ATOM 0 HG22 VAL A 20 2.817 -5.638 -12.302 1.00 0.56 H new ATOM 0 HG23 VAL A 20 2.165 -4.000 -12.545 1.00 0.56 H new ATOM 315 N ARG A 21 0.128 -3.834 -8.454 1.00 0.42 N ATOM 316 CA ARG A 21 -0.313 -3.617 -7.081 1.00 0.46 C ATOM 317 C ARG A 21 -1.460 -4.559 -6.728 1.00 0.39 C ATOM 318 O ARG A 21 -1.580 -5.005 -5.587 1.00 0.38 O ATOM 319 CB ARG A 21 -0.761 -2.165 -6.891 1.00 0.54 C ATOM 320 CG ARG A 21 0.392 -1.187 -6.742 1.00 1.17 C ATOM 321 CD ARG A 21 0.436 -0.587 -5.345 1.00 0.77 C ATOM 322 NE ARG A 21 1.804 -0.334 -4.904 1.00 1.75 N ATOM 323 CZ ARG A 21 2.678 -1.295 -4.618 1.00 2.57 C ATOM 324 NH1 ARG A 21 2.325 -2.570 -4.724 1.00 2.82 N ATOM 325 NH2 ARG A 21 3.906 -0.982 -4.228 1.00 3.62 N ATOM 0 H ARG A 21 0.070 -3.009 -9.051 1.00 0.42 H new ATOM 0 HA ARG A 21 0.527 -3.823 -6.418 1.00 0.46 H new ATOM 0 HB2 ARG A 21 -1.371 -1.867 -7.744 1.00 0.54 H new ATOM 0 HB3 ARG A 21 -1.396 -2.102 -6.007 1.00 0.54 H new ATOM 0 HG2 ARG A 21 1.333 -1.697 -6.950 1.00 1.17 H new ATOM 0 HG3 ARG A 21 0.292 -0.390 -7.479 1.00 1.17 H new ATOM 0 HD2 ARG A 21 -0.128 0.346 -5.333 1.00 0.77 H new ATOM 0 HD3 ARG A 21 -0.052 -1.264 -4.644 1.00 0.77 H new ATOM 0 HE ARG A 21 2.107 0.635 -4.810 1.00 1.75 H new ATOM 0 HH11 ARG A 21 1.382 -2.815 -5.025 1.00 2.82 H new ATOM 0 HH12 ARG A 21 2.997 -3.305 -4.504 1.00 2.82 H new ATOM 0 HH21 ARG A 21 4.181 -0.003 -4.147 1.00 3.62 H new ATOM 0 HH22 ARG A 21 4.575 -1.720 -4.009 1.00 3.62 H new ATOM 339 N ALA A 22 -2.299 -4.855 -7.717 1.00 0.40 N ATOM 340 CA ALA A 22 -3.439 -5.744 -7.521 1.00 0.40 C ATOM 341 C ALA A 22 -2.994 -7.115 -7.019 1.00 0.35 C ATOM 342 O ALA A 22 -3.743 -7.804 -6.325 1.00 0.37 O ATOM 343 CB ALA A 22 -4.224 -5.885 -8.816 1.00 0.48 C ATOM 0 H ALA A 22 -2.210 -4.490 -8.665 1.00 0.40 H new ATOM 0 HA ALA A 22 -4.083 -5.302 -6.761 1.00 0.40 H new ATOM 0 HB1 ALA A 22 -5.072 -6.551 -8.657 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -4.585 -4.906 -9.131 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -3.578 -6.299 -9.590 1.00 0.48 H new ATOM 349 N GLN A 23 -1.774 -7.505 -7.375 1.00 0.36 N ATOM 350 CA GLN A 23 -1.232 -8.795 -6.961 1.00 0.39 C ATOM 351 C GLN A 23 -1.012 -8.831 -5.454 1.00 0.34 C ATOM 352 O GLN A 23 -1.407 -9.784 -4.782 1.00 0.42 O ATOM 353 CB GLN A 23 0.084 -9.075 -7.688 1.00 0.49 C ATOM 354 CG GLN A 23 0.227 -10.514 -8.155 1.00 0.96 C ATOM 355 CD GLN A 23 1.056 -11.356 -7.204 1.00 1.44 C ATOM 356 OE1 GLN A 23 2.215 -11.043 -6.928 1.00 2.14 O ATOM 357 NE2 GLN A 23 0.464 -12.432 -6.698 1.00 2.10 N ATOM 0 H GLN A 23 -1.142 -6.947 -7.949 1.00 0.36 H new ATOM 0 HA GLN A 23 -1.955 -9.568 -7.224 1.00 0.39 H new ATOM 0 HB2 GLN A 23 0.161 -8.413 -8.550 1.00 0.49 H new ATOM 0 HB3 GLN A 23 0.914 -8.833 -7.025 1.00 0.49 H new ATOM 0 HG2 GLN A 23 -0.763 -10.958 -8.259 1.00 0.96 H new ATOM 0 HG3 GLN A 23 0.688 -10.528 -9.143 1.00 0.96 H new ATOM 0 HE21 GLN A 23 -0.498 -12.653 -6.955 1.00 2.10 H new ATOM 0 HE22 GLN A 23 0.972 -13.037 -6.053 1.00 2.10 H new ATOM 366 N LEU A 24 -0.378 -7.787 -4.929 1.00 0.29 N ATOM 367 CA LEU A 24 -0.107 -7.697 -3.499 1.00 0.30 C ATOM 368 C LEU A 24 -1.398 -7.479 -2.717 1.00 0.30 C ATOM 369 O LEU A 24 -1.600 -8.074 -1.659 1.00 0.31 O ATOM 370 CB LEU A 24 0.870 -6.555 -3.212 1.00 0.38 C ATOM 371 CG LEU A 24 1.315 -6.432 -1.755 1.00 0.43 C ATOM 372 CD1 LEU A 24 2.778 -6.027 -1.673 1.00 1.51 C ATOM 373 CD2 LEU A 24 0.441 -5.427 -1.023 1.00 1.40 C ATOM 0 H LEU A 24 -0.043 -6.992 -5.473 1.00 0.29 H new ATOM 0 HA LEU A 24 0.341 -8.638 -3.180 1.00 0.30 H new ATOM 0 HB2 LEU A 24 1.754 -6.689 -3.835 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.406 -5.616 -3.514 1.00 0.38 H new ATOM 0 HG LEU A 24 1.205 -7.405 -1.275 1.00 0.43 H new ATOM 0 HD11 LEU A 24 3.075 -5.945 -0.627 1.00 1.51 H new ATOM 0 HD12 LEU A 24 3.392 -6.780 -2.167 1.00 1.51 H new ATOM 0 HD13 LEU A 24 2.917 -5.065 -2.166 1.00 1.51 H new ATOM 0 HD21 LEU A 24 0.768 -5.348 0.014 1.00 1.40 H new ATOM 0 HD22 LEU A 24 0.525 -4.453 -1.505 1.00 1.40 H new ATOM 0 HD23 LEU A 24 -0.597 -5.758 -1.052 1.00 1.40 H new ATOM 385 N CYS A 25 -2.270 -6.629 -3.249 1.00 0.34 N ATOM 386 CA CYS A 25 -3.540 -6.334 -2.597 1.00 0.39 C ATOM 387 C CYS A 25 -4.341 -7.613 -2.398 1.00 0.39 C ATOM 388 O CYS A 25 -4.964 -7.812 -1.358 1.00 0.42 O ATOM 389 CB CYS A 25 -4.346 -5.333 -3.428 1.00 0.47 C ATOM 390 SG CYS A 25 -3.714 -3.640 -3.358 1.00 0.55 S ATOM 0 H CYS A 25 -2.121 -6.133 -4.128 1.00 0.34 H new ATOM 0 HA CYS A 25 -3.334 -5.893 -1.622 1.00 0.39 H new ATOM 0 HB2 CYS A 25 -4.356 -5.663 -4.467 1.00 0.47 H new ATOM 0 HB3 CYS A 25 -5.380 -5.338 -3.082 1.00 0.47 H new ATOM 0 HG CYS A 25 -4.586 -2.875 -2.771 1.00 0.55 H new ATOM 396 N ALA A 26 -4.316 -8.475 -3.408 1.00 0.40 N ATOM 397 CA ALA A 26 -5.023 -9.746 -3.348 1.00 0.45 C ATOM 398 C ALA A 26 -4.476 -10.616 -2.224 1.00 0.42 C ATOM 399 O ALA A 26 -5.229 -11.271 -1.504 1.00 0.46 O ATOM 400 CB ALA A 26 -4.898 -10.475 -4.676 1.00 0.52 C ATOM 0 H ALA A 26 -3.812 -8.315 -4.280 1.00 0.40 H new ATOM 0 HA ALA A 26 -6.075 -9.544 -3.147 1.00 0.45 H new ATOM 0 HB1 ALA A 26 -5.430 -11.425 -4.621 1.00 0.52 H new ATOM 0 HB2 ALA A 26 -5.328 -9.863 -5.469 1.00 0.52 H new ATOM 0 HB3 ALA A 26 -3.846 -10.661 -4.892 1.00 0.52 H new ATOM 406 N HIS A 27 -3.154 -10.613 -2.085 1.00 0.37 N ATOM 407 CA HIS A 27 -2.482 -11.407 -1.065 1.00 0.37 C ATOM 408 C HIS A 27 -2.894 -10.973 0.340 1.00 0.38 C ATOM 409 O HIS A 27 -3.437 -11.763 1.111 1.00 0.44 O ATOM 410 CB HIS A 27 -0.965 -11.280 -1.225 1.00 0.37 C ATOM 411 CG HIS A 27 -0.186 -11.884 -0.096 1.00 0.42 C ATOM 412 ND1 HIS A 27 0.800 -11.369 0.676 1.00 0.62 N flip ATOM 413 CD2 HIS A 27 -0.389 -13.171 0.354 1.00 0.55 C flip ATOM 414 CE1 HIS A 27 1.170 -12.344 1.569 1.00 0.72 C flip ATOM 415 NE2 HIS A 27 0.437 -13.421 1.355 1.00 0.68 N flip ATOM 0 H HIS A 27 -2.524 -10.065 -2.671 1.00 0.37 H new ATOM 0 HA HIS A 27 -2.779 -12.448 -1.197 1.00 0.37 H new ATOM 0 HB2 HIS A 27 -0.666 -11.758 -2.158 1.00 0.37 H new ATOM 0 HB3 HIS A 27 -0.705 -10.225 -1.310 1.00 0.37 H new ATOM 0 HD2 HIS A 27 -1.110 -13.867 -0.049 1.00 0.55 H new ATOM 0 HE1 HIS A 27 1.936 -12.246 2.324 1.00 0.72 H new ATOM 0 HE2 HIS A 27 0.498 -14.297 1.874 1.00 0.68 H new ATOM 424 N LEU A 28 -2.625 -9.713 0.660 1.00 0.37 N ATOM 425 CA LEU A 28 -2.946 -9.161 1.971 1.00 0.45 C ATOM 426 C LEU A 28 -4.438 -9.268 2.276 1.00 0.49 C ATOM 427 O LEU A 28 -4.828 -9.632 3.387 1.00 0.51 O ATOM 428 CB LEU A 28 -2.499 -7.698 2.052 1.00 0.51 C ATOM 429 CG LEU A 28 -0.991 -7.474 2.228 1.00 0.56 C ATOM 430 CD1 LEU A 28 -0.497 -8.116 3.517 1.00 1.09 C ATOM 431 CD2 LEU A 28 -0.218 -8.014 1.033 1.00 0.99 C ATOM 0 H LEU A 28 -2.182 -9.050 0.024 1.00 0.37 H new ATOM 0 HA LEU A 28 -2.409 -9.746 2.717 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -2.820 -7.188 1.144 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -3.018 -7.224 2.885 1.00 0.51 H new ATOM 0 HG LEU A 28 -0.816 -6.400 2.290 1.00 0.56 H new ATOM 0 HD11 LEU A 28 0.574 -7.945 3.621 1.00 1.09 H new ATOM 0 HD12 LEU A 28 -1.019 -7.675 4.366 1.00 1.09 H new ATOM 0 HD13 LEU A 28 -0.692 -9.188 3.488 1.00 1.09 H new ATOM 0 HD21 LEU A 28 0.848 -7.843 1.182 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.404 -9.083 0.933 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.544 -7.503 0.127 1.00 0.99 H new ATOM 443 N ASP A 29 -5.269 -8.949 1.288 1.00 0.60 N ATOM 444 CA ASP A 29 -6.718 -9.007 1.462 1.00 0.69 C ATOM 445 C ASP A 29 -7.180 -10.427 1.768 1.00 0.57 C ATOM 446 O ASP A 29 -8.183 -10.629 2.454 1.00 0.55 O ATOM 447 CB ASP A 29 -7.428 -8.488 0.209 1.00 0.94 C ATOM 448 CG ASP A 29 -8.935 -8.610 0.309 1.00 0.97 C ATOM 449 OD1 ASP A 29 -9.559 -7.743 0.957 1.00 1.20 O ATOM 450 OD2 ASP A 29 -9.491 -9.571 -0.261 1.00 1.12 O ATOM 0 H ASP A 29 -4.966 -8.649 0.362 1.00 0.60 H new ATOM 0 HA ASP A 29 -6.977 -8.372 2.309 1.00 0.69 H new ATOM 0 HB2 ASP A 29 -7.160 -7.444 0.049 1.00 0.94 H new ATOM 0 HB3 ASP A 29 -7.078 -9.044 -0.661 1.00 0.94 H new ATOM 455 N ALA A 30 -6.445 -11.410 1.257 1.00 0.56 N ATOM 456 CA ALA A 30 -6.785 -12.810 1.480 1.00 0.58 C ATOM 457 C ALA A 30 -6.608 -13.185 2.947 1.00 0.46 C ATOM 458 O ALA A 30 -7.278 -14.086 3.454 1.00 0.54 O ATOM 459 CB ALA A 30 -5.935 -13.710 0.597 1.00 0.68 C ATOM 0 H ALA A 30 -5.612 -11.263 0.687 1.00 0.56 H new ATOM 0 HA ALA A 30 -7.833 -12.951 1.216 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -6.201 -14.752 0.776 1.00 0.68 H new ATOM 0 HB2 ALA A 30 -6.112 -13.465 -0.450 1.00 0.68 H new ATOM 0 HB3 ALA A 30 -4.881 -13.560 0.832 1.00 0.68 H new ATOM 465 N LEU A 31 -5.701 -12.486 3.623 1.00 0.37 N ATOM 466 CA LEU A 31 -5.436 -12.738 5.035 1.00 0.40 C ATOM 467 C LEU A 31 -6.580 -12.226 5.904 1.00 0.40 C ATOM 468 O LEU A 31 -6.535 -12.329 7.130 1.00 0.45 O ATOM 469 CB LEU A 31 -4.124 -12.076 5.455 1.00 0.45 C ATOM 470 CG LEU A 31 -2.897 -12.986 5.404 1.00 0.64 C ATOM 471 CD1 LEU A 31 -2.372 -13.098 3.980 1.00 1.10 C ATOM 472 CD2 LEU A 31 -1.812 -12.465 6.333 1.00 1.16 C ATOM 0 H LEU A 31 -5.137 -11.740 3.215 1.00 0.37 H new ATOM 0 HA LEU A 31 -5.352 -13.816 5.176 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -3.946 -11.215 4.811 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -4.235 -11.697 6.471 1.00 0.45 H new ATOM 0 HG LEU A 31 -3.191 -13.981 5.739 1.00 0.64 H new ATOM 0 HD11 LEU A 31 -1.499 -13.750 3.964 1.00 1.10 H new ATOM 0 HD12 LEU A 31 -3.148 -13.515 3.338 1.00 1.10 H new ATOM 0 HD13 LEU A 31 -2.093 -12.109 3.616 1.00 1.10 H new ATOM 0 HD21 LEU A 31 -0.945 -13.124 6.285 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -1.522 -11.460 6.026 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -2.191 -12.437 7.355 1.00 1.16 H new ATOM 484 N ASP A 32 -7.604 -11.670 5.258 1.00 0.40 N ATOM 485 CA ASP A 32 -8.765 -11.138 5.965 1.00 0.46 C ATOM 486 C ASP A 32 -8.348 -10.047 6.947 1.00 0.46 C ATOM 487 O ASP A 32 -8.755 -10.051 8.109 1.00 0.57 O ATOM 488 CB ASP A 32 -9.503 -12.260 6.701 1.00 0.52 C ATOM 489 CG ASP A 32 -10.641 -12.838 5.882 1.00 1.20 C ATOM 490 OD1 ASP A 32 -11.655 -12.134 5.694 1.00 2.03 O ATOM 491 OD2 ASP A 32 -10.518 -13.996 5.430 1.00 1.57 O ATOM 0 H ASP A 32 -7.652 -11.577 4.243 1.00 0.40 H new ATOM 0 HA ASP A 32 -9.439 -10.699 5.230 1.00 0.46 H new ATOM 0 HB2 ASP A 32 -8.798 -13.053 6.949 1.00 0.52 H new ATOM 0 HB3 ASP A 32 -9.895 -11.876 7.643 1.00 0.52 H new ATOM 496 N VAL A 33 -7.532 -9.112 6.468 1.00 0.42 N ATOM 497 CA VAL A 33 -7.056 -8.013 7.300 1.00 0.43 C ATOM 498 C VAL A 33 -7.133 -6.683 6.558 1.00 0.42 C ATOM 499 O VAL A 33 -6.420 -5.736 6.888 1.00 0.52 O ATOM 500 CB VAL A 33 -5.603 -8.244 7.759 1.00 0.48 C ATOM 501 CG1 VAL A 33 -5.517 -9.454 8.676 1.00 0.54 C ATOM 502 CG2 VAL A 33 -4.685 -8.410 6.557 1.00 0.50 C ATOM 0 H VAL A 33 -7.187 -9.094 5.508 1.00 0.42 H new ATOM 0 HA VAL A 33 -7.707 -7.977 8.174 1.00 0.43 H new ATOM 0 HB VAL A 33 -5.275 -7.369 8.321 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -4.483 -9.600 8.989 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -6.142 -9.291 9.554 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -5.864 -10.340 8.143 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -3.663 -8.572 6.899 1.00 0.50 H new ATOM 0 HG22 VAL A 33 -5.010 -9.267 5.966 1.00 0.50 H new ATOM 0 HG23 VAL A 33 -4.723 -7.510 5.943 1.00 0.50 H new ATOM 512 N TRP A 34 -7.999 -6.619 5.552 1.00 0.39 N ATOM 513 CA TRP A 34 -8.162 -5.401 4.766 1.00 0.38 C ATOM 514 C TRP A 34 -8.621 -4.244 5.648 1.00 0.33 C ATOM 515 O TRP A 34 -8.324 -3.082 5.368 1.00 0.34 O ATOM 516 CB TRP A 34 -9.162 -5.626 3.631 1.00 0.40 C ATOM 517 CG TRP A 34 -10.526 -6.027 4.104 1.00 0.39 C ATOM 518 CD1 TRP A 34 -10.928 -7.274 4.485 1.00 0.47 C ATOM 519 CD2 TRP A 34 -11.669 -5.175 4.243 1.00 0.37 C ATOM 520 NE1 TRP A 34 -12.252 -7.251 4.854 1.00 0.50 N ATOM 521 CE2 TRP A 34 -12.729 -5.974 4.715 1.00 0.44 C ATOM 522 CE3 TRP A 34 -11.899 -3.817 4.016 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -13.999 -5.456 4.962 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -13.160 -3.304 4.262 1.00 0.45 C ATOM 525 CH2 TRP A 34 -14.194 -4.121 4.732 1.00 0.50 C ATOM 0 H TRP A 34 -8.597 -7.393 5.262 1.00 0.39 H new ATOM 0 HA TRP A 34 -7.194 -5.144 4.336 1.00 0.38 H new ATOM 0 HB2 TRP A 34 -9.245 -4.711 3.044 1.00 0.40 H new ATOM 0 HB3 TRP A 34 -8.776 -6.398 2.965 1.00 0.40 H new ATOM 0 HD1 TRP A 34 -10.298 -8.151 4.495 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -12.791 -8.054 5.178 1.00 0.50 H new ATOM 0 HE3 TRP A 34 -11.107 -3.178 3.655 1.00 0.38 H new ATOM 0 HZ2 TRP A 34 -14.800 -6.085 5.322 1.00 0.50 H new ATOM 0 HZ3 TRP A 34 -13.350 -2.255 4.088 1.00 0.45 H new ATOM 0 HH2 TRP A 34 -15.166 -3.689 4.917 1.00 0.50 H new ATOM 536 N GLN A 35 -9.347 -4.571 6.712 1.00 0.32 N ATOM 537 CA GLN A 35 -9.849 -3.564 7.640 1.00 0.33 C ATOM 538 C GLN A 35 -8.699 -2.842 8.338 1.00 0.32 C ATOM 539 O GLN A 35 -8.841 -1.695 8.765 1.00 0.35 O ATOM 540 CB GLN A 35 -10.765 -4.214 8.679 1.00 0.38 C ATOM 541 CG GLN A 35 -11.884 -3.306 9.158 1.00 1.12 C ATOM 542 CD GLN A 35 -11.464 -2.425 10.320 1.00 1.61 C ATOM 543 OE1 GLN A 35 -11.757 -1.230 10.345 1.00 2.15 O ATOM 544 NE2 GLN A 35 -10.775 -3.014 11.290 1.00 2.32 N ATOM 0 H GLN A 35 -9.602 -5.529 6.954 1.00 0.32 H new ATOM 0 HA GLN A 35 -10.418 -2.831 7.069 1.00 0.33 H new ATOM 0 HB2 GLN A 35 -11.200 -5.118 8.253 1.00 0.38 H new ATOM 0 HB3 GLN A 35 -10.167 -4.522 9.536 1.00 0.38 H new ATOM 0 HG2 GLN A 35 -12.216 -2.677 8.332 1.00 1.12 H new ATOM 0 HG3 GLN A 35 -12.737 -3.914 9.458 1.00 1.12 H new ATOM 0 HE21 GLN A 35 -10.554 -4.008 11.228 1.00 2.32 H new ATOM 0 HE22 GLN A 35 -10.466 -2.473 12.098 1.00 2.32 H new ATOM 553 N GLN A 36 -7.560 -3.521 8.448 1.00 0.33 N ATOM 554 CA GLN A 36 -6.383 -2.951 9.097 1.00 0.38 C ATOM 555 C GLN A 36 -5.755 -1.865 8.230 1.00 0.37 C ATOM 556 O GLN A 36 -5.340 -0.825 8.735 1.00 0.46 O ATOM 557 CB GLN A 36 -5.365 -4.058 9.406 1.00 0.45 C ATOM 558 CG GLN A 36 -3.908 -3.644 9.240 1.00 1.54 C ATOM 559 CD GLN A 36 -3.391 -3.872 7.831 1.00 2.38 C ATOM 560 OE1 GLN A 36 -3.832 -4.959 7.205 1.00 3.29 O flip ATOM 561 NE2 GLN A 36 -2.602 -3.082 7.312 1.00 2.41 N flip ATOM 0 H GLN A 36 -7.427 -4.469 8.095 1.00 0.33 H new ATOM 0 HA GLN A 36 -6.693 -2.490 10.035 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -5.518 -4.399 10.430 1.00 0.45 H new ATOM 0 HB3 GLN A 36 -5.564 -4.909 8.754 1.00 0.45 H new ATOM 0 HG2 GLN A 36 -3.803 -2.589 9.495 1.00 1.54 H new ATOM 0 HG3 GLN A 36 -3.293 -4.205 9.944 1.00 1.54 H new ATOM 0 HE21 GLN A 36 -2.289 -2.260 7.829 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -2.261 -3.250 6.365 1.00 2.41 H new ATOM 570 N LEU A 37 -5.687 -2.113 6.927 1.00 0.37 N ATOM 571 CA LEU A 37 -5.113 -1.148 5.998 1.00 0.40 C ATOM 572 C LEU A 37 -5.882 0.169 6.050 1.00 0.38 C ATOM 573 O LEU A 37 -5.302 1.231 6.274 1.00 0.42 O ATOM 574 CB LEU A 37 -5.126 -1.709 4.575 1.00 0.43 C ATOM 575 CG LEU A 37 -4.294 -2.977 4.373 1.00 0.46 C ATOM 576 CD1 LEU A 37 -5.029 -3.961 3.476 1.00 0.49 C ATOM 577 CD2 LEU A 37 -2.933 -2.633 3.789 1.00 0.65 C ATOM 0 H LEU A 37 -6.022 -2.972 6.491 1.00 0.37 H new ATOM 0 HA LEU A 37 -4.081 -0.959 6.293 1.00 0.40 H new ATOM 0 HB2 LEU A 37 -6.157 -1.920 4.293 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -4.761 -0.940 3.894 1.00 0.43 H new ATOM 0 HG LEU A 37 -4.142 -3.448 5.344 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.422 -4.856 3.344 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.980 -4.232 3.935 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.213 -3.501 2.505 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.354 -3.547 3.652 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -3.064 -2.139 2.826 1.00 0.65 H new ATOM 0 HD23 LEU A 37 -2.403 -1.967 4.469 1.00 0.65 H new ATOM 589 N ALA A 38 -7.190 0.085 5.831 1.00 0.36 N ATOM 590 CA ALA A 38 -8.055 1.260 5.856 1.00 0.37 C ATOM 591 C ALA A 38 -7.870 2.067 7.140 1.00 0.36 C ATOM 592 O ALA A 38 -7.512 3.243 7.099 1.00 0.41 O ATOM 593 CB ALA A 38 -9.509 0.844 5.698 1.00 0.39 C ATOM 0 H ALA A 38 -7.677 -0.789 5.633 1.00 0.36 H new ATOM 0 HA ALA A 38 -7.773 1.900 5.020 1.00 0.37 H new ATOM 0 HB1 ALA A 38 -10.145 1.729 5.718 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -9.638 0.326 4.748 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -9.788 0.178 6.515 1.00 0.39 H new ATOM 599 N THR A 39 -8.122 1.424 8.278 1.00 0.33 N ATOM 600 CA THR A 39 -7.996 2.080 9.578 1.00 0.36 C ATOM 601 C THR A 39 -6.576 2.584 9.821 1.00 0.37 C ATOM 602 O THR A 39 -6.379 3.599 10.489 1.00 0.40 O ATOM 603 CB THR A 39 -8.392 1.130 10.723 1.00 0.39 C ATOM 604 OG1 THR A 39 -9.578 0.408 10.374 1.00 0.36 O ATOM 605 CG2 THR A 39 -8.624 1.904 12.013 1.00 0.51 C ATOM 0 H THR A 39 -8.415 0.448 8.326 1.00 0.33 H new ATOM 0 HA THR A 39 -8.676 2.932 9.562 1.00 0.36 H new ATOM 0 HB THR A 39 -7.574 0.428 10.881 1.00 0.39 H new ATOM 0 HG1 THR A 39 -9.333 -0.417 9.906 1.00 0.36 H new ATOM 0 HG21 THR A 39 -8.903 1.212 12.808 1.00 0.51 H new ATOM 0 HG22 THR A 39 -7.710 2.428 12.292 1.00 0.51 H new ATOM 0 HG23 THR A 39 -9.426 2.627 11.864 1.00 0.51 H new ATOM 613 N ALA A 40 -5.592 1.869 9.283 1.00 0.38 N ATOM 614 CA ALA A 40 -4.192 2.252 9.448 1.00 0.43 C ATOM 615 C ALA A 40 -3.952 3.688 8.991 1.00 0.42 C ATOM 616 O ALA A 40 -3.149 4.410 9.583 1.00 0.47 O ATOM 617 CB ALA A 40 -3.287 1.298 8.685 1.00 0.47 C ATOM 0 H ALA A 40 -5.737 1.024 8.731 1.00 0.38 H new ATOM 0 HA ALA A 40 -3.953 2.192 10.510 1.00 0.43 H new ATOM 0 HB1 ALA A 40 -2.247 1.598 8.818 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -3.424 0.285 9.064 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -3.540 1.326 7.625 1.00 0.47 H new ATOM 623 N VAL A 41 -4.648 4.097 7.934 1.00 0.38 N ATOM 624 CA VAL A 41 -4.506 5.450 7.404 1.00 0.40 C ATOM 625 C VAL A 41 -5.734 6.297 7.723 1.00 0.41 C ATOM 626 O VAL A 41 -5.871 7.416 7.230 1.00 0.47 O ATOM 627 CB VAL A 41 -4.283 5.441 5.880 1.00 0.42 C ATOM 628 CG1 VAL A 41 -2.872 4.980 5.549 1.00 0.50 C ATOM 629 CG2 VAL A 41 -5.314 4.562 5.189 1.00 0.45 C ATOM 0 H VAL A 41 -5.314 3.513 7.429 1.00 0.38 H new ATOM 0 HA VAL A 41 -3.631 5.886 7.886 1.00 0.40 H new ATOM 0 HB VAL A 41 -4.405 6.459 5.511 1.00 0.42 H new ATOM 0 HG11 VAL A 41 -2.733 4.980 4.468 1.00 0.50 H new ATOM 0 HG12 VAL A 41 -2.151 5.657 6.007 1.00 0.50 H new ATOM 0 HG13 VAL A 41 -2.719 3.972 5.934 1.00 0.50 H new ATOM 0 HG21 VAL A 41 -5.137 4.571 4.113 1.00 0.45 H new ATOM 0 HG22 VAL A 41 -5.231 3.541 5.562 1.00 0.45 H new ATOM 0 HG23 VAL A 41 -6.314 4.943 5.395 1.00 0.45 H new ATOM 639 N LYS A 42 -6.622 5.752 8.554 1.00 0.38 N ATOM 640 CA LYS A 42 -7.844 6.448 8.949 1.00 0.41 C ATOM 641 C LYS A 42 -8.709 6.772 7.735 1.00 0.43 C ATOM 642 O LYS A 42 -8.428 7.714 6.993 1.00 0.53 O ATOM 643 CB LYS A 42 -7.509 7.732 9.712 1.00 0.51 C ATOM 644 CG LYS A 42 -8.718 8.389 10.359 1.00 0.77 C ATOM 645 CD LYS A 42 -9.155 7.644 11.610 1.00 1.05 C ATOM 646 CE LYS A 42 -10.587 7.151 11.492 1.00 1.32 C ATOM 647 NZ LYS A 42 -10.816 5.906 12.277 1.00 2.14 N ATOM 0 H LYS A 42 -6.516 4.826 8.968 1.00 0.38 H new ATOM 0 HA LYS A 42 -8.408 5.784 9.605 1.00 0.41 H new ATOM 0 HB2 LYS A 42 -6.773 7.505 10.483 1.00 0.51 H new ATOM 0 HB3 LYS A 42 -7.044 8.441 9.027 1.00 0.51 H new ATOM 0 HG2 LYS A 42 -8.479 9.421 10.614 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -9.542 8.419 9.646 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -8.490 6.797 11.781 1.00 1.05 H new ATOM 0 HD3 LYS A 42 -9.065 8.300 12.476 1.00 1.05 H new ATOM 0 HE2 LYS A 42 -11.268 7.928 11.839 1.00 1.32 H new ATOM 0 HE3 LYS A 42 -10.822 6.967 10.444 1.00 1.32 H new ATOM 0 HZ1 LYS A 42 -11.805 5.604 12.169 1.00 2.14 H new ATOM 0 HZ2 LYS A 42 -10.185 5.156 11.930 1.00 2.14 H new ATOM 0 HZ3 LYS A 42 -10.618 6.088 13.282 1.00 2.14 H new ATOM 661 N LEU A 43 -9.765 5.989 7.540 1.00 0.41 N ATOM 662 CA LEU A 43 -10.668 6.194 6.413 1.00 0.49 C ATOM 663 C LEU A 43 -12.114 6.298 6.881 1.00 0.49 C ATOM 664 O LEU A 43 -12.485 5.743 7.915 1.00 0.52 O ATOM 665 CB LEU A 43 -10.528 5.050 5.407 1.00 0.56 C ATOM 666 CG LEU A 43 -9.807 5.411 4.106 1.00 0.63 C ATOM 667 CD1 LEU A 43 -9.543 4.162 3.280 1.00 0.78 C ATOM 668 CD2 LEU A 43 -10.619 6.419 3.306 1.00 1.03 C ATOM 0 H LEU A 43 -10.016 5.208 8.146 1.00 0.41 H new ATOM 0 HA LEU A 43 -10.395 7.132 5.930 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -9.992 4.230 5.885 1.00 0.56 H new ATOM 0 HB3 LEU A 43 -11.523 4.680 5.161 1.00 0.56 H new ATOM 0 HG LEU A 43 -8.849 5.866 4.358 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -9.030 4.437 2.359 1.00 0.78 H new ATOM 0 HD12 LEU A 43 -8.920 3.473 3.851 1.00 0.78 H new ATOM 0 HD13 LEU A 43 -10.490 3.679 3.038 1.00 0.78 H new ATOM 0 HD21 LEU A 43 -10.090 6.663 2.385 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -11.592 5.992 3.063 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -10.757 7.325 3.896 1.00 1.03 H new ATOM 680 N TYR A 44 -12.927 7.017 6.112 1.00 0.50 N ATOM 681 CA TYR A 44 -14.334 7.193 6.446 1.00 0.53 C ATOM 682 C TYR A 44 -15.101 5.883 6.265 1.00 0.48 C ATOM 683 O TYR A 44 -14.950 5.209 5.246 1.00 0.48 O ATOM 684 CB TYR A 44 -14.953 8.285 5.569 1.00 0.60 C ATOM 685 CG TYR A 44 -14.702 9.686 6.078 1.00 0.74 C ATOM 686 CD1 TYR A 44 -13.417 10.213 6.113 1.00 0.91 C ATOM 687 CD2 TYR A 44 -15.750 10.481 6.524 1.00 0.94 C ATOM 688 CE1 TYR A 44 -13.184 11.493 6.578 1.00 1.10 C ATOM 689 CE2 TYR A 44 -15.525 11.762 6.991 1.00 1.14 C ATOM 690 CZ TYR A 44 -14.241 12.265 7.012 1.00 1.16 C ATOM 691 OH TYR A 44 -14.013 13.539 7.480 1.00 1.41 O ATOM 0 H TYR A 44 -12.635 7.486 5.255 1.00 0.50 H new ATOM 0 HA TYR A 44 -14.402 7.494 7.492 1.00 0.53 H new ATOM 0 HB2 TYR A 44 -14.553 8.198 4.559 1.00 0.60 H new ATOM 0 HB3 TYR A 44 -16.028 8.119 5.502 1.00 0.60 H new ATOM 0 HD1 TYR A 44 -12.587 9.613 5.771 1.00 0.91 H new ATOM 0 HD2 TYR A 44 -16.757 10.092 6.506 1.00 0.94 H new ATOM 0 HE1 TYR A 44 -12.179 11.887 6.601 1.00 1.10 H new ATOM 0 HE2 TYR A 44 -16.350 12.366 7.338 1.00 1.14 H new ATOM 0 HH TYR A 44 -14.864 13.947 7.745 1.00 1.41 H new ATOM 701 N PRO A 45 -15.933 5.499 7.254 1.00 0.62 N ATOM 702 CA PRO A 45 -16.717 4.260 7.186 1.00 0.65 C ATOM 703 C PRO A 45 -17.604 4.206 5.947 1.00 0.65 C ATOM 704 O PRO A 45 -17.904 3.128 5.433 1.00 0.70 O ATOM 705 CB PRO A 45 -17.569 4.302 8.459 1.00 0.86 C ATOM 706 CG PRO A 45 -16.817 5.193 9.384 1.00 1.32 C ATOM 707 CD PRO A 45 -16.176 6.232 8.511 1.00 0.87 C ATOM 0 HA PRO A 45 -16.080 3.378 7.118 1.00 0.65 H new ATOM 0 HB2 PRO A 45 -18.566 4.692 8.256 1.00 0.86 H new ATOM 0 HB3 PRO A 45 -17.697 3.306 8.884 1.00 0.86 H new ATOM 0 HG2 PRO A 45 -17.483 5.652 10.115 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -16.067 4.634 9.943 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -16.829 7.091 8.358 1.00 0.87 H new ATOM 0 HD3 PRO A 45 -15.250 6.609 8.945 1.00 0.87 H new ATOM 715 N ASP A 46 -18.022 5.376 5.473 1.00 0.67 N ATOM 716 CA ASP A 46 -18.868 5.461 4.288 1.00 0.74 C ATOM 717 C ASP A 46 -18.107 4.981 3.057 1.00 0.69 C ATOM 718 O ASP A 46 -18.694 4.432 2.124 1.00 0.76 O ATOM 719 CB ASP A 46 -19.361 6.899 4.088 1.00 0.89 C ATOM 720 CG ASP A 46 -18.825 7.534 2.819 1.00 1.26 C ATOM 721 OD1 ASP A 46 -17.672 8.012 2.834 1.00 2.01 O ATOM 722 OD2 ASP A 46 -19.561 7.552 1.809 1.00 1.77 O ATOM 0 H ASP A 46 -17.789 6.277 5.891 1.00 0.67 H new ATOM 0 HA ASP A 46 -19.734 4.815 4.431 1.00 0.74 H new ATOM 0 HB2 ASP A 46 -20.451 6.904 4.059 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -19.062 7.503 4.945 1.00 0.89 H new ATOM 727 N GLN A 47 -16.794 5.193 3.064 1.00 0.63 N ATOM 728 CA GLN A 47 -15.945 4.773 1.957 1.00 0.68 C ATOM 729 C GLN A 47 -15.683 3.274 2.035 1.00 0.61 C ATOM 730 O GLN A 47 -15.488 2.613 1.015 1.00 0.65 O ATOM 731 CB GLN A 47 -14.620 5.539 1.980 1.00 0.75 C ATOM 732 CG GLN A 47 -14.770 7.024 1.699 1.00 0.78 C ATOM 733 CD GLN A 47 -15.367 7.302 0.335 1.00 1.21 C ATOM 734 OE1 GLN A 47 -14.549 7.177 -0.703 1.00 1.94 O flip ATOM 735 NE2 GLN A 47 -16.549 7.626 0.213 1.00 1.56 N flip ATOM 0 H GLN A 47 -16.296 5.654 3.826 1.00 0.63 H new ATOM 0 HA GLN A 47 -16.460 4.994 1.022 1.00 0.68 H new ATOM 0 HB2 GLN A 47 -14.151 5.408 2.955 1.00 0.75 H new ATOM 0 HB3 GLN A 47 -13.946 5.104 1.242 1.00 0.75 H new ATOM 0 HG2 GLN A 47 -15.401 7.473 2.466 1.00 0.78 H new ATOM 0 HG3 GLN A 47 -13.794 7.504 1.769 1.00 0.78 H new ATOM 0 HE21 GLN A 47 -17.142 7.710 1.038 1.00 1.56 H new ATOM 0 HE22 GLN A 47 -16.934 7.810 -0.713 1.00 1.56 H new ATOM 744 N VAL A 48 -15.681 2.749 3.256 1.00 0.57 N ATOM 745 CA VAL A 48 -15.452 1.328 3.479 1.00 0.57 C ATOM 746 C VAL A 48 -16.566 0.500 2.847 1.00 0.55 C ATOM 747 O VAL A 48 -16.334 -0.611 2.371 1.00 0.51 O ATOM 748 CB VAL A 48 -15.372 1.002 4.985 1.00 0.61 C ATOM 749 CG1 VAL A 48 -14.998 -0.456 5.203 1.00 0.88 C ATOM 750 CG2 VAL A 48 -14.378 1.923 5.676 1.00 0.75 C ATOM 0 H VAL A 48 -15.836 3.289 4.107 1.00 0.57 H new ATOM 0 HA VAL A 48 -14.499 1.076 3.013 1.00 0.57 H new ATOM 0 HB VAL A 48 -16.356 1.167 5.424 1.00 0.61 H new ATOM 0 HG11 VAL A 48 -14.948 -0.663 6.272 1.00 0.88 H new ATOM 0 HG12 VAL A 48 -15.751 -1.097 4.745 1.00 0.88 H new ATOM 0 HG13 VAL A 48 -14.027 -0.654 4.749 1.00 0.88 H new ATOM 0 HG21 VAL A 48 -14.334 1.680 6.738 1.00 0.75 H new ATOM 0 HG22 VAL A 48 -13.391 1.792 5.232 1.00 0.75 H new ATOM 0 HG23 VAL A 48 -14.696 2.958 5.554 1.00 0.75 H new ATOM 760 N GLU A 49 -17.774 1.054 2.847 1.00 0.60 N ATOM 761 CA GLU A 49 -18.930 0.377 2.270 1.00 0.63 C ATOM 762 C GLU A 49 -18.719 0.119 0.782 1.00 0.57 C ATOM 763 O GLU A 49 -19.028 -0.961 0.278 1.00 0.57 O ATOM 764 CB GLU A 49 -20.194 1.214 2.483 1.00 0.73 C ATOM 765 CG GLU A 49 -21.214 0.551 3.394 1.00 0.87 C ATOM 766 CD GLU A 49 -20.829 0.635 4.859 1.00 1.55 C ATOM 767 OE1 GLU A 49 -20.952 1.732 5.443 1.00 1.73 O ATOM 768 OE2 GLU A 49 -20.404 -0.396 5.421 1.00 2.44 O ATOM 0 H GLU A 49 -17.978 1.972 3.241 1.00 0.60 H new ATOM 0 HA GLU A 49 -19.050 -0.583 2.773 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -19.914 2.179 2.906 1.00 0.73 H new ATOM 0 HB3 GLU A 49 -20.657 1.412 1.516 1.00 0.73 H new ATOM 0 HG2 GLU A 49 -22.186 1.023 3.250 1.00 0.87 H new ATOM 0 HG3 GLU A 49 -21.323 -0.496 3.110 1.00 0.87 H new ATOM 775 N GLN A 50 -18.192 1.122 0.083 1.00 0.56 N ATOM 776 CA GLN A 50 -17.936 1.009 -1.349 1.00 0.55 C ATOM 777 C GLN A 50 -16.973 -0.136 -1.640 1.00 0.48 C ATOM 778 O GLN A 50 -17.170 -0.903 -2.582 1.00 0.56 O ATOM 779 CB GLN A 50 -17.364 2.321 -1.888 1.00 0.59 C ATOM 780 CG GLN A 50 -18.002 2.773 -3.191 1.00 0.91 C ATOM 781 CD GLN A 50 -17.405 4.064 -3.715 1.00 1.33 C ATOM 782 OE1 GLN A 50 -18.127 5.000 -4.062 1.00 2.12 O ATOM 783 NE2 GLN A 50 -16.080 4.121 -3.776 1.00 1.46 N ATOM 0 H GLN A 50 -17.934 2.023 0.487 1.00 0.56 H new ATOM 0 HA GLN A 50 -18.882 0.799 -1.848 1.00 0.55 H new ATOM 0 HB2 GLN A 50 -17.497 3.101 -1.138 1.00 0.59 H new ATOM 0 HB3 GLN A 50 -16.291 2.205 -2.040 1.00 0.59 H new ATOM 0 HG2 GLN A 50 -17.882 1.991 -3.941 1.00 0.91 H new ATOM 0 HG3 GLN A 50 -19.073 2.907 -3.039 1.00 0.91 H new ATOM 0 HE21 GLN A 50 -15.521 3.322 -3.478 1.00 1.46 H new ATOM 0 HE22 GLN A 50 -15.621 4.964 -4.121 1.00 1.46 H new ATOM 792 N ILE A 51 -15.930 -0.242 -0.824 1.00 0.40 N ATOM 793 CA ILE A 51 -14.930 -1.290 -0.990 1.00 0.38 C ATOM 794 C ILE A 51 -15.532 -2.670 -0.743 1.00 0.41 C ATOM 795 O ILE A 51 -15.383 -3.577 -1.562 1.00 0.47 O ATOM 796 CB ILE A 51 -13.739 -1.079 -0.033 1.00 0.35 C ATOM 797 CG1 ILE A 51 -13.266 0.376 -0.084 1.00 0.39 C ATOM 798 CG2 ILE A 51 -12.602 -2.024 -0.386 1.00 0.38 C ATOM 799 CD1 ILE A 51 -12.455 0.794 1.125 1.00 0.42 C ATOM 0 H ILE A 51 -15.755 0.386 -0.040 1.00 0.40 H new ATOM 0 HA ILE A 51 -14.576 -1.234 -2.019 1.00 0.38 H new ATOM 0 HB ILE A 51 -14.066 -1.299 0.983 1.00 0.35 H new ATOM 0 HG12 ILE A 51 -12.666 0.523 -0.982 1.00 0.39 H new ATOM 0 HG13 ILE A 51 -14.135 1.029 -0.171 1.00 0.39 H new ATOM 0 HG21 ILE A 51 -11.769 -1.863 0.298 1.00 0.38 H new ATOM 0 HG22 ILE A 51 -12.946 -3.055 -0.302 1.00 0.38 H new ATOM 0 HG23 ILE A 51 -12.274 -1.833 -1.408 1.00 0.38 H new ATOM 0 HD11 ILE A 51 -12.155 1.836 1.019 1.00 0.42 H new ATOM 0 HD12 ILE A 51 -13.059 0.680 2.025 1.00 0.42 H new ATOM 0 HD13 ILE A 51 -11.567 0.167 1.202 1.00 0.42 H new ATOM 811 N SER A 52 -16.207 -2.819 0.391 1.00 0.43 N ATOM 812 CA SER A 52 -16.836 -4.085 0.757 1.00 0.50 C ATOM 813 C SER A 52 -17.779 -4.576 -0.339 1.00 0.52 C ATOM 814 O SER A 52 -17.871 -5.775 -0.600 1.00 0.59 O ATOM 815 CB SER A 52 -17.602 -3.933 2.072 1.00 0.57 C ATOM 816 OG SER A 52 -18.923 -3.476 1.843 1.00 1.42 O ATOM 0 H SER A 52 -16.334 -2.075 1.077 1.00 0.43 H new ATOM 0 HA SER A 52 -16.046 -4.826 0.882 1.00 0.50 H new ATOM 0 HB2 SER A 52 -17.630 -4.890 2.593 1.00 0.57 H new ATOM 0 HB3 SER A 52 -17.079 -3.232 2.722 1.00 0.57 H new ATOM 0 HG SER A 52 -18.896 -2.645 1.325 1.00 1.42 H new ATOM 822 N SER A 53 -18.480 -3.641 -0.974 1.00 0.54 N ATOM 823 CA SER A 53 -19.422 -3.975 -2.036 1.00 0.60 C ATOM 824 C SER A 53 -18.734 -4.734 -3.168 1.00 0.63 C ATOM 825 O SER A 53 -19.138 -5.843 -3.519 1.00 0.70 O ATOM 826 CB SER A 53 -20.075 -2.704 -2.585 1.00 0.68 C ATOM 827 OG SER A 53 -21.288 -2.422 -1.910 1.00 0.93 O ATOM 0 H SER A 53 -18.413 -2.644 -0.770 1.00 0.54 H new ATOM 0 HA SER A 53 -20.190 -4.620 -1.609 1.00 0.60 H new ATOM 0 HB2 SER A 53 -19.390 -1.863 -2.475 1.00 0.68 H new ATOM 0 HB3 SER A 53 -20.267 -2.822 -3.651 1.00 0.68 H new ATOM 0 HG SER A 53 -21.685 -1.605 -2.278 1.00 0.93 H new ATOM 833 N GLN A 54 -17.695 -4.129 -3.735 1.00 0.67 N ATOM 834 CA GLN A 54 -16.951 -4.747 -4.827 1.00 0.80 C ATOM 835 C GLN A 54 -16.317 -6.061 -4.382 1.00 0.81 C ATOM 836 O GLN A 54 -16.212 -7.007 -5.162 1.00 0.97 O ATOM 837 CB GLN A 54 -15.871 -3.793 -5.339 1.00 0.94 C ATOM 838 CG GLN A 54 -16.392 -2.401 -5.663 1.00 1.35 C ATOM 839 CD GLN A 54 -16.531 -2.163 -7.154 1.00 1.75 C ATOM 840 OE1 GLN A 54 -15.628 -1.626 -7.796 1.00 2.48 O ATOM 841 NE2 GLN A 54 -17.667 -2.561 -7.714 1.00 2.07 N ATOM 0 H GLN A 54 -17.349 -3.211 -3.456 1.00 0.67 H new ATOM 0 HA GLN A 54 -17.651 -4.960 -5.635 1.00 0.80 H new ATOM 0 HB2 GLN A 54 -15.084 -3.712 -4.589 1.00 0.94 H new ATOM 0 HB3 GLN A 54 -15.416 -4.219 -6.233 1.00 0.94 H new ATOM 0 HG2 GLN A 54 -17.361 -2.259 -5.184 1.00 1.35 H new ATOM 0 HG3 GLN A 54 -15.716 -1.657 -5.241 1.00 1.35 H new ATOM 0 HE21 GLN A 54 -18.389 -3.002 -7.145 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -17.817 -2.426 -8.714 1.00 2.07 H new ATOM 850 N LYS A 55 -15.896 -6.110 -3.121 1.00 0.68 N ATOM 851 CA LYS A 55 -15.269 -7.305 -2.566 1.00 0.73 C ATOM 852 C LYS A 55 -16.218 -8.498 -2.608 1.00 0.86 C ATOM 853 O LYS A 55 -15.783 -9.649 -2.665 1.00 1.12 O ATOM 854 CB LYS A 55 -14.829 -7.047 -1.124 1.00 0.65 C ATOM 855 CG LYS A 55 -13.812 -8.052 -0.611 1.00 0.74 C ATOM 856 CD LYS A 55 -14.054 -8.391 0.851 1.00 0.76 C ATOM 857 CE LYS A 55 -12.749 -8.510 1.619 1.00 1.36 C ATOM 858 NZ LYS A 55 -12.399 -9.929 1.904 1.00 1.77 N ATOM 0 H LYS A 55 -15.978 -5.334 -2.464 1.00 0.68 H new ATOM 0 HA LYS A 55 -14.397 -7.539 -3.176 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -14.404 -6.045 -1.056 1.00 0.65 H new ATOM 0 HB3 LYS A 55 -15.705 -7.066 -0.476 1.00 0.65 H new ATOM 0 HG2 LYS A 55 -13.863 -8.961 -1.210 1.00 0.74 H new ATOM 0 HG3 LYS A 55 -12.807 -7.648 -0.731 1.00 0.74 H new ATOM 0 HD2 LYS A 55 -14.676 -7.620 1.306 1.00 0.76 H new ATOM 0 HD3 LYS A 55 -14.606 -9.328 0.922 1.00 0.76 H new ATOM 0 HE2 LYS A 55 -11.947 -8.047 1.045 1.00 1.36 H new ATOM 0 HE3 LYS A 55 -12.828 -7.960 2.557 1.00 1.36 H new ATOM 0 HZ1 LYS A 55 -11.502 -9.967 2.429 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 -13.152 -10.365 2.473 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 -12.298 -10.448 1.009 1.00 1.77 H new ATOM 872 N GLN A 56 -17.514 -8.213 -2.578 1.00 0.79 N ATOM 873 CA GLN A 56 -18.532 -9.258 -2.604 1.00 0.97 C ATOM 874 C GLN A 56 -18.408 -10.124 -3.856 1.00 1.12 C ATOM 875 O GLN A 56 -18.691 -11.321 -3.821 1.00 1.37 O ATOM 876 CB GLN A 56 -19.928 -8.638 -2.535 1.00 0.96 C ATOM 877 CG GLN A 56 -21.023 -9.637 -2.201 1.00 1.58 C ATOM 878 CD GLN A 56 -21.259 -9.764 -0.708 1.00 2.14 C ATOM 879 OE1 GLN A 56 -20.312 -10.380 -0.011 1.00 2.41 O flip ATOM 880 NE2 GLN A 56 -22.280 -9.314 -0.189 1.00 3.02 N flip ATOM 0 H GLN A 56 -17.886 -7.264 -2.536 1.00 0.79 H new ATOM 0 HA GLN A 56 -18.378 -9.896 -1.734 1.00 0.97 H new ATOM 0 HB2 GLN A 56 -19.928 -7.847 -1.785 1.00 0.96 H new ATOM 0 HB3 GLN A 56 -20.156 -8.169 -3.492 1.00 0.96 H new ATOM 0 HG2 GLN A 56 -21.949 -9.331 -2.687 1.00 1.58 H new ATOM 0 HG3 GLN A 56 -20.756 -10.613 -2.608 1.00 1.58 H new ATOM 0 HE21 GLN A 56 -22.982 -8.848 -0.764 1.00 3.02 H new ATOM 0 HE22 GLN A 56 -22.425 -9.407 0.816 1.00 3.02 H new ATOM 889 N ARG A 57 -17.985 -9.515 -4.960 1.00 1.15 N ATOM 890 CA ARG A 57 -17.833 -10.238 -6.217 1.00 1.46 C ATOM 891 C ARG A 57 -16.408 -10.755 -6.380 1.00 1.58 C ATOM 892 O ARG A 57 -15.657 -10.271 -7.228 1.00 1.74 O ATOM 893 CB ARG A 57 -18.197 -9.336 -7.397 1.00 1.66 C ATOM 894 CG ARG A 57 -19.531 -8.624 -7.233 1.00 1.38 C ATOM 895 CD ARG A 57 -19.836 -7.737 -8.430 1.00 1.67 C ATOM 896 NE ARG A 57 -21.162 -7.133 -8.342 1.00 1.89 N ATOM 897 CZ ARG A 57 -21.432 -5.887 -8.720 1.00 2.38 C ATOM 898 NH1 ARG A 57 -20.472 -5.116 -9.215 1.00 2.83 N ATOM 899 NH2 ARG A 57 -22.664 -5.410 -8.607 1.00 2.99 N ATOM 0 H ARG A 57 -17.742 -8.526 -5.009 1.00 1.15 H new ATOM 0 HA ARG A 57 -18.510 -11.092 -6.198 1.00 1.46 H new ATOM 0 HB2 ARG A 57 -17.412 -8.592 -7.530 1.00 1.66 H new ATOM 0 HB3 ARG A 57 -18.225 -9.936 -8.307 1.00 1.66 H new ATOM 0 HG2 ARG A 57 -20.326 -9.360 -7.111 1.00 1.38 H new ATOM 0 HG3 ARG A 57 -19.514 -8.020 -6.326 1.00 1.38 H new ATOM 0 HD2 ARG A 57 -19.084 -6.951 -8.499 1.00 1.67 H new ATOM 0 HD3 ARG A 57 -19.766 -8.326 -9.344 1.00 1.67 H new ATOM 0 HE ARG A 57 -21.925 -7.699 -7.969 1.00 1.89 H new ATOM 0 HH11 ARG A 57 -19.523 -5.479 -9.307 1.00 2.83 H new ATOM 0 HH12 ARG A 57 -20.683 -4.161 -9.504 1.00 2.83 H new ATOM 0 HH21 ARG A 57 -23.406 -5.999 -8.230 1.00 2.99 H new ATOM 0 HH22 ARG A 57 -22.869 -4.454 -8.897 1.00 2.99 H new ATOM 913 N GLY A 58 -16.058 -11.752 -5.569 1.00 1.74 N ATOM 914 CA GLY A 58 -14.731 -12.352 -5.621 1.00 2.05 C ATOM 915 C GLY A 58 -13.633 -11.362 -5.962 1.00 1.56 C ATOM 916 O GLY A 58 -12.911 -11.542 -6.943 1.00 1.61 O ATOM 0 H GLY A 58 -16.677 -12.160 -4.868 1.00 1.74 H new ATOM 0 HA2 GLY A 58 -14.510 -12.810 -4.657 1.00 2.05 H new ATOM 0 HA3 GLY A 58 -14.731 -13.152 -6.361 1.00 2.05 H new ATOM 920 N ARG A 59 -13.504 -10.316 -5.152 1.00 1.40 N ATOM 921 CA ARG A 59 -12.486 -9.296 -5.382 1.00 1.48 C ATOM 922 C ARG A 59 -11.677 -9.031 -4.117 1.00 1.02 C ATOM 923 O ARG A 59 -11.944 -9.611 -3.064 1.00 1.47 O ATOM 924 CB ARG A 59 -13.136 -7.998 -5.867 1.00 2.32 C ATOM 925 CG ARG A 59 -13.296 -7.926 -7.377 1.00 3.01 C ATOM 926 CD ARG A 59 -12.882 -6.567 -7.916 1.00 3.79 C ATOM 927 NE ARG A 59 -11.514 -6.575 -8.430 1.00 4.29 N ATOM 928 CZ ARG A 59 -11.183 -7.015 -9.641 1.00 4.87 C ATOM 929 NH1 ARG A 59 -12.117 -7.479 -10.461 1.00 5.10 N ATOM 930 NH2 ARG A 59 -9.916 -6.990 -10.034 1.00 5.55 N ATOM 0 H ARG A 59 -14.089 -10.152 -4.333 1.00 1.40 H new ATOM 0 HA ARG A 59 -11.808 -9.666 -6.151 1.00 1.48 H new ATOM 0 HB2 ARG A 59 -14.116 -7.896 -5.401 1.00 2.32 H new ATOM 0 HB3 ARG A 59 -12.534 -7.153 -5.533 1.00 2.32 H new ATOM 0 HG2 ARG A 59 -12.693 -8.704 -7.845 1.00 3.01 H new ATOM 0 HG3 ARG A 59 -14.334 -8.124 -7.644 1.00 3.01 H new ATOM 0 HD2 ARG A 59 -13.566 -6.269 -8.710 1.00 3.79 H new ATOM 0 HD3 ARG A 59 -12.968 -5.822 -7.125 1.00 3.79 H new ATOM 0 HE ARG A 59 -10.771 -6.223 -7.826 1.00 4.29 H new ATOM 0 HH11 ARG A 59 -13.092 -7.499 -10.164 1.00 5.10 H new ATOM 0 HH12 ARG A 59 -11.860 -7.816 -11.389 1.00 5.10 H new ATOM 0 HH21 ARG A 59 -9.195 -6.633 -9.407 1.00 5.55 H new ATOM 0 HH22 ARG A 59 -9.663 -7.328 -10.963 1.00 5.55 H new ATOM 944 N SER A 60 -10.686 -8.150 -4.230 1.00 0.87 N ATOM 945 CA SER A 60 -9.836 -7.803 -3.097 1.00 0.54 C ATOM 946 C SER A 60 -10.109 -6.376 -2.633 1.00 0.42 C ATOM 947 O SER A 60 -10.012 -5.429 -3.415 1.00 0.40 O ATOM 948 CB SER A 60 -8.361 -7.960 -3.471 1.00 0.77 C ATOM 949 OG SER A 60 -8.105 -7.449 -4.767 1.00 1.51 O ATOM 0 H SER A 60 -10.453 -7.664 -5.096 1.00 0.87 H new ATOM 0 HA SER A 60 -10.067 -8.483 -2.277 1.00 0.54 H new ATOM 0 HB2 SER A 60 -7.741 -7.438 -2.742 1.00 0.77 H new ATOM 0 HB3 SER A 60 -8.083 -9.013 -3.431 1.00 0.77 H new ATOM 0 HG SER A 60 -7.155 -7.560 -4.981 1.00 1.51 H new ATOM 955 N ALA A 61 -10.451 -6.230 -1.358 1.00 0.38 N ATOM 956 CA ALA A 61 -10.744 -4.921 -0.785 1.00 0.33 C ATOM 957 C ALA A 61 -9.531 -3.997 -0.852 1.00 0.29 C ATOM 958 O ALA A 61 -9.670 -2.789 -1.044 1.00 0.27 O ATOM 959 CB ALA A 61 -11.214 -5.070 0.654 1.00 0.39 C ATOM 0 H ALA A 61 -10.532 -7.005 -0.699 1.00 0.38 H new ATOM 0 HA ALA A 61 -11.540 -4.469 -1.376 1.00 0.33 H new ATOM 0 HB1 ALA A 61 -11.429 -4.086 1.070 1.00 0.39 H new ATOM 0 HB2 ALA A 61 -12.116 -5.681 0.681 1.00 0.39 H new ATOM 0 HB3 ALA A 61 -10.433 -5.550 1.244 1.00 0.39 H new ATOM 965 N SER A 62 -8.343 -4.572 -0.694 1.00 0.33 N ATOM 966 CA SER A 62 -7.106 -3.798 -0.727 1.00 0.34 C ATOM 967 C SER A 62 -6.881 -3.178 -2.104 1.00 0.31 C ATOM 968 O SER A 62 -6.266 -2.118 -2.222 1.00 0.31 O ATOM 969 CB SER A 62 -5.917 -4.684 -0.352 1.00 0.42 C ATOM 970 OG SER A 62 -6.178 -5.409 0.838 1.00 0.66 O ATOM 0 H SER A 62 -8.210 -5.572 -0.542 1.00 0.33 H new ATOM 0 HA SER A 62 -7.195 -2.991 0.000 1.00 0.34 H new ATOM 0 HB2 SER A 62 -5.705 -5.378 -1.166 1.00 0.42 H new ATOM 0 HB3 SER A 62 -5.028 -4.068 -0.219 1.00 0.42 H new ATOM 0 HG SER A 62 -5.404 -5.969 1.056 1.00 0.66 H new ATOM 976 N ASN A 63 -7.379 -3.844 -3.141 1.00 0.32 N ATOM 977 CA ASN A 63 -7.230 -3.355 -4.508 1.00 0.32 C ATOM 978 C ASN A 63 -7.894 -1.993 -4.672 1.00 0.31 C ATOM 979 O ASN A 63 -7.239 -1.011 -5.024 1.00 0.33 O ATOM 980 CB ASN A 63 -7.829 -4.354 -5.499 1.00 0.35 C ATOM 981 CG ASN A 63 -7.866 -3.815 -6.916 1.00 0.92 C ATOM 982 OD1 ASN A 63 -6.887 -3.912 -7.656 1.00 1.40 O ATOM 983 ND2 ASN A 63 -9.001 -3.242 -7.302 1.00 1.79 N ATOM 0 H ASN A 63 -7.889 -4.724 -3.061 1.00 0.32 H new ATOM 0 HA ASN A 63 -6.165 -3.247 -4.715 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -7.246 -5.275 -5.479 1.00 0.35 H new ATOM 0 HB3 ASN A 63 -8.841 -4.611 -5.185 1.00 0.35 H new ATOM 0 HD21 ASN A 63 -9.085 -2.861 -8.244 1.00 1.79 H new ATOM 0 HD22 ASN A 63 -9.788 -3.183 -6.656 1.00 1.79 H new ATOM 990 N GLU A 64 -9.197 -1.938 -4.413 1.00 0.31 N ATOM 991 CA GLU A 64 -9.946 -0.693 -4.529 1.00 0.33 C ATOM 992 C GLU A 64 -9.447 0.328 -3.514 1.00 0.31 C ATOM 993 O GLU A 64 -9.398 1.525 -3.795 1.00 0.34 O ATOM 994 CB GLU A 64 -11.440 -0.949 -4.322 1.00 0.37 C ATOM 995 CG GLU A 64 -12.292 -0.577 -5.524 1.00 0.87 C ATOM 996 CD GLU A 64 -13.492 0.270 -5.149 1.00 1.10 C ATOM 997 OE1 GLU A 64 -14.229 -0.123 -4.220 1.00 1.72 O ATOM 998 OE2 GLU A 64 -13.695 1.326 -5.784 1.00 1.66 O ATOM 0 H GLU A 64 -9.755 -2.741 -4.122 1.00 0.31 H new ATOM 0 HA GLU A 64 -9.792 -0.293 -5.531 1.00 0.33 H new ATOM 0 HB2 GLU A 64 -11.591 -2.004 -4.092 1.00 0.37 H new ATOM 0 HB3 GLU A 64 -11.781 -0.382 -3.456 1.00 0.37 H new ATOM 0 HG2 GLU A 64 -11.680 -0.034 -6.244 1.00 0.87 H new ATOM 0 HG3 GLU A 64 -12.634 -1.487 -6.018 1.00 0.87 H new ATOM 1005 N PHE A 65 -9.076 -0.156 -2.332 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.573 0.709 -1.273 1.00 0.29 C ATOM 1007 C PHE A 65 -7.354 1.490 -1.755 1.00 0.30 C ATOM 1008 O PHE A 65 -7.218 2.681 -1.476 1.00 0.33 O ATOM 1009 CB PHE A 65 -8.217 -0.120 -0.033 1.00 0.30 C ATOM 1010 CG PHE A 65 -7.233 0.550 0.887 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -7.613 1.634 1.663 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -5.927 0.094 0.973 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -6.708 2.250 2.507 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -5.018 0.707 1.815 1.00 0.42 C ATOM 1015 CZ PHE A 65 -5.410 1.787 2.583 1.00 0.48 C ATOM 0 H PHE A 65 -9.115 -1.145 -2.085 1.00 0.29 H new ATOM 0 HA PHE A 65 -9.356 1.419 -1.006 1.00 0.29 H new ATOM 0 HB2 PHE A 65 -9.130 -0.335 0.522 1.00 0.30 H new ATOM 0 HB3 PHE A 65 -7.806 -1.077 -0.354 1.00 0.30 H new ATOM 0 HD1 PHE A 65 -8.627 2.001 1.608 1.00 0.41 H new ATOM 0 HD2 PHE A 65 -5.616 -0.750 0.375 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -7.017 3.093 3.107 1.00 0.50 H new ATOM 0 HE2 PHE A 65 -4.003 0.342 1.873 1.00 0.42 H new ATOM 0 HZ PHE A 65 -4.702 2.268 3.242 1.00 0.48 H new ATOM 1025 N LEU A 66 -6.471 0.810 -2.480 1.00 0.32 N ATOM 1026 CA LEU A 66 -5.263 1.439 -3.001 1.00 0.35 C ATOM 1027 C LEU A 66 -5.610 2.550 -3.990 1.00 0.37 C ATOM 1028 O LEU A 66 -4.962 3.595 -4.017 1.00 0.42 O ATOM 1029 CB LEU A 66 -4.373 0.394 -3.681 1.00 0.39 C ATOM 1030 CG LEU A 66 -2.882 0.477 -3.336 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -2.308 1.822 -3.755 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -2.663 0.241 -1.848 1.00 0.61 C ATOM 0 H LEU A 66 -6.570 -0.176 -2.720 1.00 0.32 H new ATOM 0 HA LEU A 66 -4.722 1.879 -2.164 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -4.736 -0.598 -3.413 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -4.485 0.493 -4.761 1.00 0.39 H new ATOM 0 HG LEU A 66 -2.359 -0.304 -3.888 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -1.249 1.860 -3.501 1.00 0.65 H new ATOM 0 HD12 LEU A 66 -2.428 1.950 -4.831 1.00 0.65 H new ATOM 0 HD13 LEU A 66 -2.835 2.621 -3.234 1.00 0.65 H new ATOM 0 HD21 LEU A 66 -1.598 0.304 -1.622 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -3.200 0.998 -1.277 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -3.033 -0.748 -1.578 1.00 0.61 H new ATOM 1044 N ASN A 67 -6.638 2.314 -4.800 1.00 0.37 N ATOM 1045 CA ASN A 67 -7.073 3.291 -5.793 1.00 0.42 C ATOM 1046 C ASN A 67 -7.558 4.579 -5.130 1.00 0.41 C ATOM 1047 O ASN A 67 -7.031 5.660 -5.396 1.00 0.66 O ATOM 1048 CB ASN A 67 -8.187 2.705 -6.662 1.00 0.47 C ATOM 1049 CG ASN A 67 -7.649 1.907 -7.834 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -7.428 2.446 -8.917 1.00 1.10 O ATOM 1051 ND2 ASN A 67 -7.435 0.614 -7.621 1.00 1.48 N ATOM 0 H ASN A 67 -7.186 1.454 -4.788 1.00 0.37 H new ATOM 0 HA ASN A 67 -6.215 3.531 -6.420 1.00 0.42 H new ATOM 0 HB2 ASN A 67 -8.821 2.064 -6.050 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -8.816 3.513 -7.035 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -7.073 0.026 -8.372 1.00 1.48 H new ATOM 0 HD22 ASN A 67 -7.632 0.208 -6.706 1.00 1.48 H new ATOM 1058 N ILE A 68 -8.564 4.456 -4.269 1.00 0.33 N ATOM 1059 CA ILE A 68 -9.129 5.611 -3.576 1.00 0.35 C ATOM 1060 C ILE A 68 -8.093 6.299 -2.689 1.00 0.35 C ATOM 1061 O ILE A 68 -8.113 7.521 -2.535 1.00 0.41 O ATOM 1062 CB ILE A 68 -10.343 5.209 -2.711 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -11.352 4.416 -3.544 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -11.001 6.445 -2.113 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -11.879 3.183 -2.844 1.00 0.52 C ATOM 0 H ILE A 68 -9.006 3.567 -4.034 1.00 0.33 H new ATOM 0 HA ILE A 68 -9.452 6.308 -4.349 1.00 0.35 H new ATOM 0 HB ILE A 68 -9.994 4.575 -1.896 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -12.190 5.065 -3.799 1.00 0.43 H new ATOM 0 HG13 ILE A 68 -10.882 4.119 -4.482 1.00 0.43 H new ATOM 0 HG21 ILE A 68 -11.855 6.145 -1.506 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -10.281 6.975 -1.489 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -11.339 7.101 -2.915 1.00 0.46 H new ATOM 0 HD11 ILE A 68 -12.589 2.671 -3.494 1.00 0.52 H new ATOM 0 HD12 ILE A 68 -11.050 2.514 -2.613 1.00 0.52 H new ATOM 0 HD13 ILE A 68 -12.378 3.475 -1.920 1.00 0.52 H new ATOM 1077 N TRP A 69 -7.192 5.514 -2.110 1.00 0.35 N ATOM 1078 CA TRP A 69 -6.158 6.058 -1.236 1.00 0.38 C ATOM 1079 C TRP A 69 -5.116 6.834 -2.037 1.00 0.45 C ATOM 1080 O TRP A 69 -4.460 7.734 -1.512 1.00 0.62 O ATOM 1081 CB TRP A 69 -5.483 4.934 -0.446 1.00 0.42 C ATOM 1082 CG TRP A 69 -4.410 5.415 0.484 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -4.515 6.404 1.421 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -3.066 4.927 0.566 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.319 6.560 2.078 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -2.414 5.665 1.572 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -2.351 3.938 -0.114 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.083 5.444 1.913 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -1.030 3.719 0.226 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -0.408 4.469 1.232 1.00 0.63 C ATOM 0 H TRP A 69 -7.156 4.502 -2.229 1.00 0.35 H new ATOM 0 HA TRP A 69 -6.635 6.746 -0.538 1.00 0.38 H new ATOM 0 HB2 TRP A 69 -6.239 4.401 0.130 1.00 0.42 H new ATOM 0 HB3 TRP A 69 -5.052 4.218 -1.145 1.00 0.42 H new ATOM 0 HD1 TRP A 69 -5.408 6.979 1.616 1.00 0.45 H new ATOM 0 HE1 TRP A 69 -3.135 7.233 2.822 1.00 0.48 H new ATOM 0 HE3 TRP A 69 -2.822 3.355 -0.891 1.00 0.55 H new ATOM 0 HZ2 TRP A 69 -0.601 6.022 2.688 1.00 0.57 H new ATOM 0 HZ3 TRP A 69 -0.468 2.957 -0.293 1.00 0.62 H new ATOM 0 HH2 TRP A 69 0.626 4.273 1.475 1.00 0.63 H new ATOM 1101 N GLY A 70 -4.970 6.481 -3.309 1.00 0.59 N ATOM 1102 CA GLY A 70 -4.008 7.155 -4.161 1.00 0.74 C ATOM 1103 C GLY A 70 -4.672 8.049 -5.188 1.00 0.86 C ATOM 1104 O GLY A 70 -4.954 7.618 -6.307 1.00 1.08 O ATOM 0 H GLY A 70 -5.501 5.740 -3.766 1.00 0.59 H new ATOM 0 HA2 GLY A 70 -3.336 7.752 -3.544 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -3.396 6.412 -4.672 1.00 0.74 H new ATOM 1108 N GLY A 71 -4.922 9.297 -4.808 1.00 0.96 N ATOM 1109 CA GLY A 71 -5.556 10.240 -5.710 1.00 1.16 C ATOM 1110 C GLY A 71 -6.119 11.443 -4.980 1.00 1.26 C ATOM 1111 O GLY A 71 -6.319 12.502 -5.576 1.00 1.54 O ATOM 0 H GLY A 71 -4.696 9.673 -3.887 1.00 0.96 H new ATOM 0 HA2 GLY A 71 -4.830 10.574 -6.452 1.00 1.16 H new ATOM 0 HA3 GLY A 71 -6.358 9.738 -6.252 1.00 1.16 H new ATOM 1115 N GLN A 72 -6.373 11.278 -3.687 1.00 1.15 N ATOM 1116 CA GLN A 72 -6.915 12.355 -2.867 1.00 1.31 C ATOM 1117 C GLN A 72 -6.533 12.165 -1.403 1.00 1.31 C ATOM 1118 O GLN A 72 -7.126 12.774 -0.511 1.00 1.64 O ATOM 1119 CB GLN A 72 -8.438 12.419 -3.006 1.00 1.35 C ATOM 1120 CG GLN A 72 -9.089 11.063 -3.215 1.00 1.21 C ATOM 1121 CD GLN A 72 -10.589 11.162 -3.420 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -11.074 12.063 -4.105 1.00 1.84 O ATOM 1123 NE2 GLN A 72 -11.331 10.233 -2.828 1.00 1.99 N ATOM 0 H GLN A 72 -6.212 10.406 -3.183 1.00 1.15 H new ATOM 0 HA GLN A 72 -6.489 13.295 -3.218 1.00 1.31 H new ATOM 0 HB2 GLN A 72 -8.857 12.879 -2.111 1.00 1.35 H new ATOM 0 HB3 GLN A 72 -8.691 13.067 -3.845 1.00 1.35 H new ATOM 0 HG2 GLN A 72 -8.639 10.577 -4.081 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -8.885 10.429 -2.352 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -10.886 9.505 -2.269 1.00 1.99 H new ATOM 0 HE22 GLN A 72 -12.346 10.248 -2.932 1.00 1.99 H new ATOM 1132 N TYR A 73 -5.539 11.316 -1.162 1.00 1.08 N ATOM 1133 CA TYR A 73 -5.072 11.045 0.191 1.00 1.16 C ATOM 1134 C TYR A 73 -3.550 10.946 0.232 1.00 1.24 C ATOM 1135 O TYR A 73 -2.987 10.204 1.036 1.00 1.49 O ATOM 1136 CB TYR A 73 -5.699 9.753 0.722 1.00 1.13 C ATOM 1137 CG TYR A 73 -7.171 9.885 1.049 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -7.603 10.731 2.063 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -8.126 9.163 0.345 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -8.945 10.854 2.365 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -9.471 9.281 0.642 1.00 0.97 C ATOM 1142 CZ TYR A 73 -9.876 10.127 1.645 1.00 1.27 C ATOM 1143 OH TYR A 73 -11.213 10.247 1.952 1.00 1.38 O ATOM 0 H TYR A 73 -5.041 10.803 -1.889 1.00 1.08 H new ATOM 0 HA TYR A 73 -5.379 11.874 0.828 1.00 1.16 H new ATOM 0 HB2 TYR A 73 -5.569 8.964 -0.019 1.00 1.13 H new ATOM 0 HB3 TYR A 73 -5.163 9.440 1.618 1.00 1.13 H new ATOM 0 HD1 TYR A 73 -6.878 11.302 2.624 1.00 1.46 H new ATOM 0 HD2 TYR A 73 -7.813 8.499 -0.447 1.00 0.90 H new ATOM 0 HE1 TYR A 73 -9.266 11.513 3.158 1.00 1.53 H new ATOM 0 HE2 TYR A 73 -10.201 8.710 0.087 1.00 0.97 H new ATOM 0 HH TYR A 73 -11.738 9.673 1.356 1.00 1.38 H new ATOM 1153 N ASN A 74 -2.895 11.699 -0.649 1.00 1.23 N ATOM 1154 CA ASN A 74 -1.436 11.715 -0.724 1.00 1.34 C ATOM 1155 C ASN A 74 -0.882 10.344 -1.100 1.00 0.95 C ATOM 1156 O ASN A 74 -0.577 9.526 -0.232 1.00 1.38 O ATOM 1157 CB ASN A 74 -0.838 12.177 0.606 1.00 1.91 C ATOM 1158 CG ASN A 74 -1.332 13.551 1.015 1.00 2.53 C ATOM 1159 OD1 ASN A 74 -1.232 14.511 0.251 1.00 3.01 O ATOM 1160 ND2 ASN A 74 -1.871 13.652 2.224 1.00 3.10 N ATOM 0 H ASN A 74 -3.355 12.309 -1.325 1.00 1.23 H new ATOM 0 HA ASN A 74 -1.152 12.419 -1.506 1.00 1.34 H new ATOM 0 HB2 ASN A 74 -1.090 11.457 1.384 1.00 1.91 H new ATOM 0 HB3 ASN A 74 0.249 12.193 0.526 1.00 1.91 H new ATOM 0 HD21 ASN A 74 -2.222 14.552 2.552 1.00 3.10 H new ATOM 0 HD22 ASN A 74 -1.934 12.830 2.825 1.00 3.10 H new ATOM 1167 N HIS A 75 -0.758 10.105 -2.401 1.00 0.64 N ATOM 1168 CA HIS A 75 -0.235 8.839 -2.907 1.00 0.65 C ATOM 1169 C HIS A 75 1.285 8.774 -2.764 1.00 0.56 C ATOM 1170 O HIS A 75 2.008 9.564 -3.370 1.00 1.01 O ATOM 1171 CB HIS A 75 -0.620 8.652 -4.377 1.00 1.06 C ATOM 1172 CG HIS A 75 -0.801 9.935 -5.129 1.00 1.69 C ATOM 1173 ND1 HIS A 75 0.019 11.032 -4.959 1.00 2.23 N ATOM 1174 CD2 HIS A 75 -1.717 10.294 -6.061 1.00 2.43 C ATOM 1175 CE1 HIS A 75 -0.385 12.008 -5.752 1.00 2.72 C ATOM 1176 NE2 HIS A 75 -1.435 11.585 -6.431 1.00 2.80 N ATOM 0 H HIS A 75 -1.013 10.774 -3.128 1.00 0.64 H new ATOM 0 HA HIS A 75 -0.675 8.037 -2.313 1.00 0.65 H new ATOM 0 HB2 HIS A 75 0.150 8.059 -4.871 1.00 1.06 H new ATOM 0 HB3 HIS A 75 -1.546 8.079 -4.429 1.00 1.06 H new ATOM 0 HD1 HIS A 75 0.813 11.081 -4.321 1.00 2.23 H new ATOM 0 HD2 HIS A 75 -2.519 9.679 -6.441 1.00 2.43 H new ATOM 0 HE1 HIS A 75 0.067 12.986 -5.831 1.00 2.72 H new ATOM 1185 N THR A 76 1.761 7.825 -1.961 1.00 0.64 N ATOM 1186 CA THR A 76 3.194 7.650 -1.746 1.00 0.64 C ATOM 1187 C THR A 76 3.525 6.197 -1.415 1.00 0.51 C ATOM 1188 O THR A 76 2.998 5.636 -0.455 1.00 0.43 O ATOM 1189 CB THR A 76 3.709 8.552 -0.609 1.00 0.89 C ATOM 1190 OG1 THR A 76 2.627 8.922 0.254 1.00 1.17 O ATOM 1191 CG2 THR A 76 4.370 9.803 -1.166 1.00 1.07 C ATOM 0 H THR A 76 1.175 7.166 -1.449 1.00 0.64 H new ATOM 0 HA THR A 76 3.689 7.933 -2.675 1.00 0.64 H new ATOM 0 HB THR A 76 4.451 7.991 -0.040 1.00 0.89 H new ATOM 0 HG1 THR A 76 2.701 8.433 1.100 1.00 1.17 H new ATOM 0 HG21 THR A 76 4.725 10.424 -0.343 1.00 1.07 H new ATOM 0 HG22 THR A 76 5.212 9.519 -1.797 1.00 1.07 H new ATOM 0 HG23 THR A 76 3.647 10.364 -1.758 1.00 1.07 H new ATOM 1199 N VAL A 77 4.400 5.595 -2.215 1.00 0.53 N ATOM 1200 CA VAL A 77 4.798 4.207 -2.003 1.00 0.49 C ATOM 1201 C VAL A 77 5.510 4.037 -0.666 1.00 0.40 C ATOM 1202 O VAL A 77 5.534 2.945 -0.098 1.00 0.39 O ATOM 1203 CB VAL A 77 5.719 3.703 -3.133 1.00 0.61 C ATOM 1204 CG1 VAL A 77 5.902 2.195 -3.041 1.00 1.22 C ATOM 1205 CG2 VAL A 77 5.164 4.095 -4.494 1.00 1.25 C ATOM 0 H VAL A 77 4.846 6.045 -3.014 1.00 0.53 H new ATOM 0 HA VAL A 77 3.883 3.614 -2.002 1.00 0.49 H new ATOM 0 HB VAL A 77 6.695 4.174 -3.015 1.00 0.61 H new ATOM 0 HG11 VAL A 77 6.555 1.858 -3.846 1.00 1.22 H new ATOM 0 HG12 VAL A 77 6.350 1.941 -2.080 1.00 1.22 H new ATOM 0 HG13 VAL A 77 4.933 1.705 -3.130 1.00 1.22 H new ATOM 0 HG21 VAL A 77 5.829 3.730 -5.277 1.00 1.25 H new ATOM 0 HG22 VAL A 77 4.175 3.656 -4.624 1.00 1.25 H new ATOM 0 HG23 VAL A 77 5.090 5.181 -4.558 1.00 1.25 H new ATOM 1215 N GLN A 78 6.092 5.124 -0.166 1.00 0.42 N ATOM 1216 CA GLN A 78 6.801 5.092 1.108 1.00 0.42 C ATOM 1217 C GLN A 78 5.866 4.661 2.233 1.00 0.37 C ATOM 1218 O GLN A 78 6.177 3.749 2.998 1.00 0.35 O ATOM 1219 CB GLN A 78 7.395 6.467 1.421 1.00 0.54 C ATOM 1220 CG GLN A 78 8.900 6.445 1.637 1.00 1.05 C ATOM 1221 CD GLN A 78 9.345 7.392 2.736 1.00 1.49 C ATOM 1222 OE1 GLN A 78 8.898 7.288 3.878 1.00 2.24 O ATOM 1223 NE2 GLN A 78 10.231 8.320 2.394 1.00 1.87 N ATOM 0 H GLN A 78 6.086 6.036 -0.623 1.00 0.42 H new ATOM 0 HA GLN A 78 7.610 4.366 1.030 1.00 0.42 H new ATOM 0 HB2 GLN A 78 7.164 7.148 0.602 1.00 0.54 H new ATOM 0 HB3 GLN A 78 6.914 6.867 2.314 1.00 0.54 H new ATOM 0 HG2 GLN A 78 9.213 5.431 1.887 1.00 1.05 H new ATOM 0 HG3 GLN A 78 9.401 6.713 0.707 1.00 1.05 H new ATOM 0 HE21 GLN A 78 10.574 8.369 1.435 1.00 1.87 H new ATOM 0 HE22 GLN A 78 10.569 8.984 3.091 1.00 1.87 H new ATOM 1232 N THR A 79 4.719 5.328 2.325 1.00 0.42 N ATOM 1233 CA THR A 79 3.727 5.019 3.349 1.00 0.45 C ATOM 1234 C THR A 79 3.323 3.548 3.301 1.00 0.39 C ATOM 1235 O THR A 79 3.021 2.944 4.331 1.00 0.40 O ATOM 1236 CB THR A 79 2.466 5.891 3.188 1.00 0.56 C ATOM 1237 OG1 THR A 79 2.838 7.267 3.044 1.00 0.65 O ATOM 1238 CG2 THR A 79 1.540 5.734 4.384 1.00 0.71 C ATOM 0 H THR A 79 4.453 6.089 1.700 1.00 0.42 H new ATOM 0 HA THR A 79 4.190 5.233 4.312 1.00 0.45 H new ATOM 0 HB THR A 79 1.936 5.561 2.294 1.00 0.56 H new ATOM 0 HG1 THR A 79 2.032 7.815 2.940 1.00 0.65 H new ATOM 0 HG21 THR A 79 0.658 6.359 4.246 1.00 0.71 H new ATOM 0 HG22 THR A 79 1.235 4.691 4.474 1.00 0.71 H new ATOM 0 HG23 THR A 79 2.062 6.039 5.291 1.00 0.71 H new ATOM 1246 N LEU A 80 3.319 2.978 2.100 1.00 0.35 N ATOM 1247 CA LEU A 80 2.947 1.578 1.916 1.00 0.34 C ATOM 1248 C LEU A 80 3.899 0.651 2.666 1.00 0.32 C ATOM 1249 O LEU A 80 3.464 -0.255 3.376 1.00 0.34 O ATOM 1250 CB LEU A 80 2.932 1.220 0.428 1.00 0.37 C ATOM 1251 CG LEU A 80 2.481 -0.208 0.103 1.00 0.42 C ATOM 1252 CD1 LEU A 80 1.090 -0.475 0.662 1.00 0.47 C ATOM 1253 CD2 LEU A 80 2.504 -0.442 -1.400 1.00 0.50 C ATOM 0 H LEU A 80 3.569 3.464 1.239 1.00 0.35 H new ATOM 0 HA LEU A 80 1.946 1.443 2.325 1.00 0.34 H new ATOM 0 HB2 LEU A 80 2.274 1.918 -0.090 1.00 0.37 H new ATOM 0 HB3 LEU A 80 3.934 1.367 0.025 1.00 0.37 H new ATOM 0 HG LEU A 80 3.177 -0.902 0.574 1.00 0.42 H new ATOM 0 HD11 LEU A 80 0.790 -1.494 0.420 1.00 0.47 H new ATOM 0 HD12 LEU A 80 1.102 -0.348 1.745 1.00 0.47 H new ATOM 0 HD13 LEU A 80 0.381 0.226 0.223 1.00 0.47 H new ATOM 0 HD21 LEU A 80 2.181 -1.461 -1.615 1.00 0.50 H new ATOM 0 HD22 LEU A 80 1.831 0.263 -1.888 1.00 0.50 H new ATOM 0 HD23 LEU A 80 3.517 -0.296 -1.776 1.00 0.50 H new ATOM 1265 N PHE A 81 5.198 0.878 2.499 1.00 0.33 N ATOM 1266 CA PHE A 81 6.207 0.059 3.164 1.00 0.36 C ATOM 1267 C PHE A 81 6.081 0.163 4.680 1.00 0.37 C ATOM 1268 O PHE A 81 5.994 -0.850 5.376 1.00 0.38 O ATOM 1269 CB PHE A 81 7.611 0.481 2.728 1.00 0.41 C ATOM 1270 CG PHE A 81 8.665 -0.545 3.037 1.00 0.47 C ATOM 1271 CD1 PHE A 81 8.847 -1.642 2.210 1.00 0.59 C ATOM 1272 CD2 PHE A 81 9.475 -0.410 4.153 1.00 0.55 C ATOM 1273 CE1 PHE A 81 9.816 -2.587 2.491 1.00 0.71 C ATOM 1274 CE2 PHE A 81 10.445 -1.353 4.440 1.00 0.67 C ATOM 1275 CZ PHE A 81 10.616 -2.442 3.608 1.00 0.73 C ATOM 0 H PHE A 81 5.577 1.620 1.911 1.00 0.33 H new ATOM 0 HA PHE A 81 6.042 -0.978 2.873 1.00 0.36 H new ATOM 0 HB2 PHE A 81 7.607 0.676 1.656 1.00 0.41 H new ATOM 0 HB3 PHE A 81 7.871 1.418 3.221 1.00 0.41 H new ATOM 0 HD1 PHE A 81 8.224 -1.760 1.335 1.00 0.59 H new ATOM 0 HD2 PHE A 81 9.347 0.441 4.806 1.00 0.55 H new ATOM 0 HE1 PHE A 81 9.947 -3.437 1.838 1.00 0.71 H new ATOM 0 HE2 PHE A 81 11.068 -1.238 5.314 1.00 0.67 H new ATOM 0 HZ PHE A 81 11.374 -3.179 3.830 1.00 0.73 H new ATOM 1285 N ALA A 82 6.072 1.392 5.187 1.00 0.45 N ATOM 1286 CA ALA A 82 5.961 1.630 6.622 1.00 0.52 C ATOM 1287 C ALA A 82 4.649 1.082 7.176 1.00 0.45 C ATOM 1288 O ALA A 82 4.511 0.885 8.384 1.00 0.43 O ATOM 1289 CB ALA A 82 6.080 3.117 6.921 1.00 0.67 C ATOM 0 H ALA A 82 6.140 2.240 4.624 1.00 0.45 H new ATOM 0 HA ALA A 82 6.779 1.103 7.113 1.00 0.52 H new ATOM 0 HB1 ALA A 82 5.995 3.280 7.995 1.00 0.67 H new ATOM 0 HB2 ALA A 82 7.047 3.482 6.574 1.00 0.67 H new ATOM 0 HB3 ALA A 82 5.283 3.656 6.408 1.00 0.67 H new ATOM 1295 N LEU A 83 3.690 0.838 6.289 1.00 0.44 N ATOM 1296 CA LEU A 83 2.390 0.315 6.693 1.00 0.41 C ATOM 1297 C LEU A 83 2.519 -1.101 7.248 1.00 0.36 C ATOM 1298 O LEU A 83 2.171 -1.360 8.399 1.00 0.36 O ATOM 1299 CB LEU A 83 1.421 0.323 5.510 1.00 0.46 C ATOM 1300 CG LEU A 83 0.019 0.850 5.822 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -0.787 1.012 4.541 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -0.697 -0.082 6.789 1.00 1.23 C ATOM 0 H LEU A 83 3.789 0.994 5.286 1.00 0.44 H new ATOM 0 HA LEU A 83 1.998 0.960 7.479 1.00 0.41 H new ATOM 0 HB2 LEU A 83 1.851 0.929 4.713 1.00 0.46 H new ATOM 0 HB3 LEU A 83 1.333 -0.693 5.126 1.00 0.46 H new ATOM 0 HG LEU A 83 0.115 1.828 6.294 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -1.781 1.388 4.782 1.00 1.08 H new ATOM 0 HD12 LEU A 83 -0.283 1.717 3.881 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -0.875 0.047 4.042 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -1.693 0.308 7.000 1.00 1.23 H new ATOM 0 HD22 LEU A 83 -0.782 -1.073 6.343 1.00 1.23 H new ATOM 0 HD23 LEU A 83 -0.129 -0.149 7.717 1.00 1.23 H new ATOM 1314 N PHE A 84 3.020 -2.013 6.419 1.00 0.37 N ATOM 1315 CA PHE A 84 3.195 -3.405 6.821 1.00 0.39 C ATOM 1316 C PHE A 84 4.101 -3.515 8.045 1.00 0.39 C ATOM 1317 O PHE A 84 4.006 -4.472 8.812 1.00 0.41 O ATOM 1318 CB PHE A 84 3.776 -4.222 5.666 1.00 0.45 C ATOM 1319 CG PHE A 84 2.991 -4.101 4.390 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.640 -4.408 4.361 1.00 0.46 C ATOM 1321 CD2 PHE A 84 3.605 -3.681 3.221 1.00 0.40 C ATOM 1322 CE1 PHE A 84 0.916 -4.299 3.189 1.00 0.46 C ATOM 1323 CE2 PHE A 84 2.886 -3.570 2.046 1.00 0.41 C ATOM 1324 CZ PHE A 84 1.536 -3.874 2.033 1.00 0.42 C ATOM 0 H PHE A 84 3.312 -1.812 5.463 1.00 0.37 H new ATOM 0 HA PHE A 84 2.215 -3.804 7.084 1.00 0.39 H new ATOM 0 HB2 PHE A 84 4.801 -3.900 5.484 1.00 0.45 H new ATOM 0 HB3 PHE A 84 3.818 -5.271 5.959 1.00 0.45 H new ATOM 0 HD1 PHE A 84 1.147 -4.736 5.264 1.00 0.46 H new ATOM 0 HD2 PHE A 84 4.657 -3.438 3.228 1.00 0.40 H new ATOM 0 HE1 PHE A 84 -0.135 -4.547 3.178 1.00 0.46 H new ATOM 0 HE2 PHE A 84 3.377 -3.247 1.140 1.00 0.41 H new ATOM 0 HZ PHE A 84 0.969 -3.779 1.119 1.00 0.42 H new ATOM 1334 N LYS A 85 4.981 -2.533 8.214 1.00 0.43 N ATOM 1335 CA LYS A 85 5.907 -2.516 9.345 1.00 0.47 C ATOM 1336 C LYS A 85 5.159 -2.659 10.667 1.00 0.48 C ATOM 1337 O LYS A 85 5.644 -3.303 11.598 1.00 0.51 O ATOM 1338 CB LYS A 85 6.721 -1.221 9.344 1.00 0.56 C ATOM 1339 CG LYS A 85 8.011 -1.312 10.143 1.00 0.83 C ATOM 1340 CD LYS A 85 9.219 -0.961 9.292 1.00 0.64 C ATOM 1341 CE LYS A 85 10.517 -1.149 10.060 1.00 1.03 C ATOM 1342 NZ LYS A 85 11.535 -1.886 9.260 1.00 1.59 N ATOM 0 H LYS A 85 5.074 -1.737 7.583 1.00 0.43 H new ATOM 0 HA LYS A 85 6.584 -3.364 9.240 1.00 0.47 H new ATOM 0 HB2 LYS A 85 6.959 -0.952 8.315 1.00 0.56 H new ATOM 0 HB3 LYS A 85 6.108 -0.416 9.750 1.00 0.56 H new ATOM 0 HG2 LYS A 85 7.959 -0.638 10.998 1.00 0.83 H new ATOM 0 HG3 LYS A 85 8.124 -2.321 10.539 1.00 0.83 H new ATOM 0 HD2 LYS A 85 9.230 -1.586 8.399 1.00 0.64 H new ATOM 0 HD3 LYS A 85 9.140 0.073 8.956 1.00 0.64 H new ATOM 0 HE2 LYS A 85 10.915 -0.175 10.344 1.00 1.03 H new ATOM 0 HE3 LYS A 85 10.317 -1.693 10.983 1.00 1.03 H new ATOM 0 HZ1 LYS A 85 12.405 -1.993 9.819 1.00 1.59 H new ATOM 0 HZ2 LYS A 85 11.166 -2.826 9.010 1.00 1.59 H new ATOM 0 HZ3 LYS A 85 11.745 -1.354 8.391 1.00 1.59 H new ATOM 1356 N LYS A 86 3.979 -2.052 10.743 1.00 0.52 N ATOM 1357 CA LYS A 86 3.161 -2.108 11.950 1.00 0.59 C ATOM 1358 C LYS A 86 2.822 -3.550 12.314 1.00 0.61 C ATOM 1359 O LYS A 86 2.877 -3.936 13.483 1.00 0.69 O ATOM 1360 CB LYS A 86 1.875 -1.303 11.755 1.00 0.71 C ATOM 1361 CG LYS A 86 1.078 -1.110 13.036 1.00 1.05 C ATOM 1362 CD LYS A 86 -0.412 -1.013 12.754 1.00 1.31 C ATOM 1363 CE LYS A 86 -1.098 -2.359 12.920 1.00 1.84 C ATOM 1364 NZ LYS A 86 -2.576 -2.221 13.032 1.00 2.31 N ATOM 0 H LYS A 86 3.567 -1.514 9.981 1.00 0.52 H new ATOM 0 HA LYS A 86 3.735 -1.673 12.768 1.00 0.59 H new ATOM 0 HB2 LYS A 86 2.127 -0.326 11.343 1.00 0.71 H new ATOM 0 HB3 LYS A 86 1.248 -1.807 11.019 1.00 0.71 H new ATOM 0 HG2 LYS A 86 1.268 -1.943 13.713 1.00 1.05 H new ATOM 0 HG3 LYS A 86 1.414 -0.205 13.542 1.00 1.05 H new ATOM 0 HD2 LYS A 86 -0.865 -0.287 13.429 1.00 1.31 H new ATOM 0 HD3 LYS A 86 -0.568 -0.646 11.740 1.00 1.31 H new ATOM 0 HE2 LYS A 86 -0.857 -2.996 12.069 1.00 1.84 H new ATOM 0 HE3 LYS A 86 -0.712 -2.856 13.810 1.00 1.84 H new ATOM 0 HZ1 LYS A 86 -3.005 -3.162 13.144 1.00 2.31 H new ATOM 0 HZ2 LYS A 86 -2.808 -1.634 13.859 1.00 2.31 H new ATOM 0 HZ3 LYS A 86 -2.949 -1.771 12.172 1.00 2.31 H new ATOM 1378 N LEU A 87 2.474 -4.343 11.306 1.00 0.61 N ATOM 1379 CA LEU A 87 2.125 -5.743 11.518 1.00 0.70 C ATOM 1380 C LEU A 87 3.349 -6.638 11.356 1.00 0.63 C ATOM 1381 O LEU A 87 3.262 -7.857 11.513 1.00 0.74 O ATOM 1382 CB LEU A 87 1.032 -6.171 10.536 1.00 0.80 C ATOM 1383 CG LEU A 87 -0.375 -6.259 11.129 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -1.424 -6.155 10.032 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -0.544 -7.554 11.910 1.00 1.46 C ATOM 0 H LEU A 87 2.426 -4.040 10.333 1.00 0.61 H new ATOM 0 HA LEU A 87 1.751 -5.850 12.536 1.00 0.70 H new ATOM 0 HB2 LEU A 87 1.016 -5.466 9.705 1.00 0.80 H new ATOM 0 HB3 LEU A 87 1.297 -7.144 10.123 1.00 0.80 H new ATOM 0 HG LEU A 87 -0.513 -5.423 11.815 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -2.419 -6.220 10.473 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -1.317 -5.201 9.516 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -1.289 -6.970 9.321 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -1.551 -7.600 12.325 1.00 1.46 H new ATOM 0 HD22 LEU A 87 -0.387 -8.403 11.245 1.00 1.46 H new ATOM 0 HD23 LEU A 87 0.184 -7.588 12.720 1.00 1.46 H new ATOM 1397 N LYS A 88 4.487 -6.024 11.042 1.00 0.52 N ATOM 1398 CA LYS A 88 5.734 -6.760 10.857 1.00 0.53 C ATOM 1399 C LYS A 88 5.562 -7.870 9.825 1.00 0.51 C ATOM 1400 O LYS A 88 6.005 -9.001 10.031 1.00 0.56 O ATOM 1401 CB LYS A 88 6.206 -7.350 12.188 1.00 0.69 C ATOM 1402 CG LYS A 88 6.359 -6.317 13.293 1.00 1.16 C ATOM 1403 CD LYS A 88 6.047 -6.909 14.657 1.00 1.45 C ATOM 1404 CE LYS A 88 5.677 -5.830 15.661 1.00 2.05 C ATOM 1405 NZ LYS A 88 6.882 -5.207 16.277 1.00 2.87 N ATOM 0 H LYS A 88 4.571 -5.016 10.910 1.00 0.52 H new ATOM 0 HA LYS A 88 6.488 -6.063 10.491 1.00 0.53 H new ATOM 0 HB2 LYS A 88 5.496 -8.112 12.510 1.00 0.69 H new ATOM 0 HB3 LYS A 88 7.162 -7.850 12.035 1.00 0.69 H new ATOM 0 HG2 LYS A 88 7.377 -5.927 13.289 1.00 1.16 H new ATOM 0 HG3 LYS A 88 5.694 -5.475 13.100 1.00 1.16 H new ATOM 0 HD2 LYS A 88 5.226 -7.620 14.567 1.00 1.45 H new ATOM 0 HD3 LYS A 88 6.912 -7.464 15.020 1.00 1.45 H new ATOM 0 HE2 LYS A 88 5.084 -5.061 15.166 1.00 2.05 H new ATOM 0 HE3 LYS A 88 5.051 -6.261 16.443 1.00 2.05 H new ATOM 0 HZ1 LYS A 88 6.587 -4.476 16.956 1.00 2.87 H new ATOM 0 HZ2 LYS A 88 7.435 -5.936 16.772 1.00 2.87 H new ATOM 0 HZ3 LYS A 88 7.467 -4.773 15.534 1.00 2.87 H new ATOM 1419 N LEU A 89 4.918 -7.538 8.711 1.00 0.47 N ATOM 1420 CA LEU A 89 4.682 -8.506 7.645 1.00 0.46 C ATOM 1421 C LEU A 89 5.844 -8.523 6.656 1.00 0.45 C ATOM 1422 O LEU A 89 5.771 -7.914 5.588 1.00 0.43 O ATOM 1423 CB LEU A 89 3.379 -8.182 6.913 1.00 0.48 C ATOM 1424 CG LEU A 89 2.121 -8.220 7.781 1.00 0.78 C ATOM 1425 CD1 LEU A 89 1.008 -7.403 7.145 1.00 1.25 C ATOM 1426 CD2 LEU A 89 1.670 -9.656 8.001 1.00 1.31 C ATOM 0 H LEU A 89 4.550 -6.606 8.522 1.00 0.47 H new ATOM 0 HA LEU A 89 4.601 -9.494 8.098 1.00 0.46 H new ATOM 0 HB2 LEU A 89 3.466 -7.190 6.470 1.00 0.48 H new ATOM 0 HB3 LEU A 89 3.256 -8.888 6.092 1.00 0.48 H new ATOM 0 HG LEU A 89 2.358 -7.781 8.750 1.00 0.78 H new ATOM 0 HD11 LEU A 89 0.121 -7.442 7.777 1.00 1.25 H new ATOM 0 HD12 LEU A 89 1.332 -6.368 7.038 1.00 1.25 H new ATOM 0 HD13 LEU A 89 0.772 -7.812 6.163 1.00 1.25 H new ATOM 0 HD21 LEU A 89 0.773 -9.665 8.621 1.00 1.31 H new ATOM 0 HD22 LEU A 89 1.451 -10.120 7.039 1.00 1.31 H new ATOM 0 HD23 LEU A 89 2.462 -10.214 8.501 1.00 1.31 H new ATOM 1438 N HIS A 90 6.915 -9.221 7.022 1.00 0.55 N ATOM 1439 CA HIS A 90 8.094 -9.323 6.168 1.00 0.64 C ATOM 1440 C HIS A 90 7.721 -9.845 4.782 1.00 0.60 C ATOM 1441 O HIS A 90 8.430 -9.599 3.806 1.00 0.69 O ATOM 1442 CB HIS A 90 9.136 -10.243 6.808 1.00 0.81 C ATOM 1443 CG HIS A 90 9.460 -9.891 8.227 1.00 0.97 C ATOM 1444 ND1 HIS A 90 9.688 -10.837 9.204 1.00 1.62 N ATOM 1445 CD2 HIS A 90 9.598 -8.686 8.834 1.00 0.98 C ATOM 1446 CE1 HIS A 90 9.951 -10.231 10.350 1.00 1.84 C ATOM 1447 NE2 HIS A 90 9.903 -8.928 10.151 1.00 1.38 N ATOM 0 H HIS A 90 6.991 -9.725 7.906 1.00 0.55 H new ATOM 0 HA HIS A 90 8.518 -8.325 6.058 1.00 0.64 H new ATOM 0 HB2 HIS A 90 8.772 -11.270 6.772 1.00 0.81 H new ATOM 0 HB3 HIS A 90 10.051 -10.208 6.216 1.00 0.81 H new ATOM 0 HD2 HIS A 90 9.489 -7.718 8.369 1.00 0.98 H new ATOM 0 HE1 HIS A 90 10.168 -10.720 11.288 1.00 1.84 H new ATOM 0 HE2 HIS A 90 10.066 -8.214 10.861 1.00 1.38 H new ATOM 1456 N ASN A 91 6.607 -10.565 4.706 1.00 0.54 N ATOM 1457 CA ASN A 91 6.139 -11.125 3.443 1.00 0.55 C ATOM 1458 C ASN A 91 5.706 -10.022 2.479 1.00 0.46 C ATOM 1459 O ASN A 91 6.276 -9.872 1.399 1.00 0.45 O ATOM 1460 CB ASN A 91 4.977 -12.090 3.686 1.00 0.63 C ATOM 1461 CG ASN A 91 5.163 -12.915 4.944 1.00 1.13 C ATOM 1462 OD1 ASN A 91 4.605 -12.438 6.051 1.00 1.98 O flip ATOM 1463 ND2 ASN A 91 5.799 -13.969 4.922 1.00 1.60 N flip ATOM 0 H ASN A 91 6.010 -10.775 5.506 1.00 0.54 H new ATOM 0 HA ASN A 91 6.968 -11.670 2.991 1.00 0.55 H new ATOM 0 HB2 ASN A 91 4.048 -11.524 3.760 1.00 0.63 H new ATOM 0 HB3 ASN A 91 4.877 -12.757 2.829 1.00 0.63 H new ATOM 0 HD21 ASN A 91 6.211 -14.298 4.049 1.00 1.60 H new ATOM 0 HD22 ASN A 91 5.914 -14.513 5.777 1.00 1.60 H new ATOM 1470 N ALA A 92 4.691 -9.258 2.877 1.00 0.42 N ATOM 1471 CA ALA A 92 4.180 -8.171 2.048 1.00 0.39 C ATOM 1472 C ALA A 92 5.295 -7.217 1.634 1.00 0.36 C ATOM 1473 O ALA A 92 5.370 -6.800 0.477 1.00 0.38 O ATOM 1474 CB ALA A 92 3.082 -7.416 2.783 1.00 0.41 C ATOM 0 H ALA A 92 4.207 -9.372 3.768 1.00 0.42 H new ATOM 0 HA ALA A 92 3.762 -8.609 1.142 1.00 0.39 H new ATOM 0 HB1 ALA A 92 2.711 -6.608 2.152 1.00 0.41 H new ATOM 0 HB2 ALA A 92 2.265 -8.099 3.017 1.00 0.41 H new ATOM 0 HB3 ALA A 92 3.483 -7.000 3.707 1.00 0.41 H new ATOM 1480 N MET A 93 6.156 -6.872 2.586 1.00 0.39 N ATOM 1481 CA MET A 93 7.272 -5.969 2.318 1.00 0.43 C ATOM 1482 C MET A 93 8.177 -6.532 1.226 1.00 0.40 C ATOM 1483 O MET A 93 8.498 -5.844 0.256 1.00 0.39 O ATOM 1484 CB MET A 93 8.081 -5.734 3.595 1.00 0.55 C ATOM 1485 CG MET A 93 7.473 -4.693 4.521 1.00 0.71 C ATOM 1486 SD MET A 93 7.735 -5.076 6.264 1.00 1.06 S ATOM 1487 CE MET A 93 9.216 -4.127 6.600 1.00 1.29 C ATOM 0 H MET A 93 6.103 -7.203 3.549 1.00 0.39 H new ATOM 0 HA MET A 93 6.864 -5.019 1.973 1.00 0.43 H new ATOM 0 HB2 MET A 93 8.174 -6.677 4.134 1.00 0.55 H new ATOM 0 HB3 MET A 93 9.089 -5.421 3.323 1.00 0.55 H new ATOM 0 HG2 MET A 93 7.905 -3.718 4.298 1.00 0.71 H new ATOM 0 HG3 MET A 93 6.403 -4.619 4.326 1.00 0.71 H new ATOM 0 HE1 MET A 93 9.505 -4.261 7.642 1.00 1.29 H new ATOM 0 HE2 MET A 93 10.023 -4.470 5.952 1.00 1.29 H new ATOM 0 HE3 MET A 93 9.023 -3.071 6.410 1.00 1.29 H new ATOM 1497 N ARG A 94 8.588 -7.785 1.396 1.00 0.44 N ATOM 1498 CA ARG A 94 9.459 -8.449 0.431 1.00 0.45 C ATOM 1499 C ARG A 94 8.809 -8.516 -0.950 1.00 0.44 C ATOM 1500 O ARG A 94 9.478 -8.794 -1.946 1.00 0.49 O ATOM 1501 CB ARG A 94 9.802 -9.860 0.910 1.00 0.55 C ATOM 1502 CG ARG A 94 11.186 -9.972 1.531 1.00 1.28 C ATOM 1503 CD ARG A 94 11.563 -11.421 1.794 1.00 1.44 C ATOM 1504 NE ARG A 94 11.914 -12.127 0.565 1.00 1.97 N ATOM 1505 CZ ARG A 94 12.367 -13.376 0.534 1.00 2.47 C ATOM 1506 NH1 ARG A 94 12.529 -14.057 1.661 1.00 2.58 N ATOM 1507 NH2 ARG A 94 12.659 -13.948 -0.626 1.00 3.39 N ATOM 0 H ARG A 94 8.331 -8.363 2.196 1.00 0.44 H new ATOM 0 HA ARG A 94 10.374 -7.862 0.350 1.00 0.45 H new ATOM 0 HB2 ARG A 94 9.058 -10.178 1.641 1.00 0.55 H new ATOM 0 HB3 ARG A 94 9.734 -10.548 0.067 1.00 0.55 H new ATOM 0 HG2 ARG A 94 11.922 -9.518 0.867 1.00 1.28 H new ATOM 0 HG3 ARG A 94 11.213 -9.412 2.466 1.00 1.28 H new ATOM 0 HD2 ARG A 94 12.405 -11.457 2.486 1.00 1.44 H new ATOM 0 HD3 ARG A 94 10.730 -11.930 2.279 1.00 1.44 H new ATOM 0 HE ARG A 94 11.805 -11.633 -0.321 1.00 1.97 H new ATOM 0 HH11 ARG A 94 12.306 -13.622 2.556 1.00 2.58 H new ATOM 0 HH12 ARG A 94 12.877 -15.015 1.632 1.00 2.58 H new ATOM 0 HH21 ARG A 94 12.536 -13.429 -1.496 1.00 3.39 H new ATOM 0 HH22 ARG A 94 13.007 -14.907 -0.649 1.00 3.39 H new ATOM 1521 N LEU A 95 7.505 -8.264 -1.005 1.00 0.44 N ATOM 1522 CA LEU A 95 6.774 -8.306 -2.267 1.00 0.47 C ATOM 1523 C LEU A 95 6.944 -7.006 -3.048 1.00 0.46 C ATOM 1524 O LEU A 95 6.816 -6.989 -4.273 1.00 0.52 O ATOM 1525 CB LEU A 95 5.288 -8.571 -2.012 1.00 0.53 C ATOM 1526 CG LEU A 95 4.704 -9.766 -2.768 1.00 0.55 C ATOM 1527 CD1 LEU A 95 4.699 -11.005 -1.886 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.297 -9.452 -3.256 1.00 0.67 C ATOM 0 H LEU A 95 6.934 -8.029 -0.193 1.00 0.44 H new ATOM 0 HA LEU A 95 7.186 -9.119 -2.864 1.00 0.47 H new ATOM 0 HB2 LEU A 95 5.141 -8.729 -0.944 1.00 0.53 H new ATOM 0 HB3 LEU A 95 4.724 -7.678 -2.283 1.00 0.53 H new ATOM 0 HG LEU A 95 5.333 -9.965 -3.636 1.00 0.55 H new ATOM 0 HD11 LEU A 95 4.280 -11.845 -2.441 1.00 0.79 H new ATOM 0 HD12 LEU A 95 5.720 -11.242 -1.585 1.00 0.79 H new ATOM 0 HD13 LEU A 95 4.094 -10.818 -0.999 1.00 0.79 H new ATOM 0 HD21 LEU A 95 2.897 -10.313 -3.792 1.00 0.67 H new ATOM 0 HD22 LEU A 95 2.658 -9.227 -2.402 1.00 0.67 H new ATOM 0 HD23 LEU A 95 3.327 -8.591 -3.924 1.00 0.67 H new ATOM 1540 N ILE A 96 7.233 -5.918 -2.338 1.00 0.43 N ATOM 1541 CA ILE A 96 7.416 -4.619 -2.976 1.00 0.50 C ATOM 1542 C ILE A 96 8.706 -3.942 -2.519 1.00 0.61 C ATOM 1543 O ILE A 96 8.677 -2.927 -1.821 1.00 1.29 O ATOM 1544 CB ILE A 96 6.223 -3.683 -2.697 1.00 0.58 C ATOM 1545 CG1 ILE A 96 5.843 -3.721 -1.215 1.00 0.52 C ATOM 1546 CG2 ILE A 96 5.035 -4.072 -3.563 1.00 0.76 C ATOM 1547 CD1 ILE A 96 5.773 -2.352 -0.572 1.00 0.48 C ATOM 0 H ILE A 96 7.345 -5.911 -1.324 1.00 0.43 H new ATOM 0 HA ILE A 96 7.479 -4.806 -4.048 1.00 0.50 H new ATOM 0 HB ILE A 96 6.517 -2.664 -2.947 1.00 0.58 H new ATOM 0 HG12 ILE A 96 4.876 -4.213 -1.109 1.00 0.52 H new ATOM 0 HG13 ILE A 96 6.571 -4.329 -0.677 1.00 0.52 H new ATOM 0 HG21 ILE A 96 4.199 -3.403 -3.356 1.00 0.76 H new ATOM 0 HG22 ILE A 96 5.310 -3.994 -4.615 1.00 0.76 H new ATOM 0 HG23 ILE A 96 4.742 -5.098 -3.340 1.00 0.76 H new ATOM 0 HD11 ILE A 96 5.499 -2.457 0.478 1.00 0.48 H new ATOM 0 HD12 ILE A 96 6.745 -1.865 -0.646 1.00 0.48 H new ATOM 0 HD13 ILE A 96 5.025 -1.747 -1.084 1.00 0.48 H new ATOM 1559 N LYS A 97 9.840 -4.510 -2.920 1.00 0.66 N ATOM 1560 CA LYS A 97 11.143 -3.957 -2.559 1.00 0.66 C ATOM 1561 C LYS A 97 11.784 -3.261 -3.754 1.00 0.82 C ATOM 1562 O LYS A 97 12.292 -2.147 -3.639 1.00 1.43 O ATOM 1563 CB LYS A 97 12.075 -5.057 -2.042 1.00 0.74 C ATOM 1564 CG LYS A 97 11.471 -6.451 -2.085 1.00 1.33 C ATOM 1565 CD LYS A 97 12.337 -7.458 -1.344 1.00 1.77 C ATOM 1566 CE LYS A 97 13.609 -7.777 -2.115 1.00 2.29 C ATOM 1567 NZ LYS A 97 13.359 -7.894 -3.578 1.00 2.85 N ATOM 0 H LYS A 97 9.884 -5.352 -3.494 1.00 0.66 H new ATOM 0 HA LYS A 97 10.986 -3.225 -1.766 1.00 0.66 H new ATOM 0 HB2 LYS A 97 12.991 -5.051 -2.633 1.00 0.74 H new ATOM 0 HB3 LYS A 97 12.358 -4.826 -1.015 1.00 0.74 H new ATOM 0 HG2 LYS A 97 10.475 -6.431 -1.642 1.00 1.33 H new ATOM 0 HG3 LYS A 97 11.352 -6.765 -3.122 1.00 1.33 H new ATOM 0 HD2 LYS A 97 12.596 -7.063 -0.362 1.00 1.77 H new ATOM 0 HD3 LYS A 97 11.771 -8.375 -1.180 1.00 1.77 H new ATOM 0 HE2 LYS A 97 14.348 -6.996 -1.935 1.00 2.29 H new ATOM 0 HE3 LYS A 97 14.034 -8.710 -1.744 1.00 2.29 H new ATOM 0 HZ1 LYS A 97 14.158 -8.384 -4.029 1.00 2.85 H new ATOM 0 HZ2 LYS A 97 12.486 -8.435 -3.739 1.00 2.85 H new ATOM 0 HZ3 LYS A 97 13.258 -6.944 -3.990 1.00 2.85 H new ATOM 1581 N ASP A 98 11.759 -3.931 -4.902 1.00 0.74 N ATOM 1582 CA ASP A 98 12.335 -3.385 -6.126 1.00 0.85 C ATOM 1583 C ASP A 98 11.548 -2.173 -6.624 1.00 0.73 C ATOM 1584 O ASP A 98 11.853 -1.620 -7.681 1.00 0.84 O ATOM 1585 CB ASP A 98 12.376 -4.462 -7.211 1.00 1.04 C ATOM 1586 CG ASP A 98 13.793 -4.833 -7.605 1.00 1.30 C ATOM 1587 OD1 ASP A 98 14.409 -5.657 -6.898 1.00 1.63 O ATOM 1588 OD2 ASP A 98 14.284 -4.299 -8.621 1.00 1.64 O ATOM 0 H ASP A 98 11.344 -4.857 -5.010 1.00 0.74 H new ATOM 0 HA ASP A 98 13.350 -3.057 -5.901 1.00 0.85 H new ATOM 0 HB2 ASP A 98 11.856 -5.352 -6.856 1.00 1.04 H new ATOM 0 HB3 ASP A 98 11.838 -4.108 -8.091 1.00 1.04 H new ATOM 1593 N TYR A 99 10.539 -1.764 -5.860 1.00 0.60 N ATOM 1594 CA TYR A 99 9.713 -0.622 -6.237 1.00 0.64 C ATOM 1595 C TYR A 99 10.044 0.605 -5.389 1.00 0.78 C ATOM 1596 O TYR A 99 9.754 1.735 -5.781 1.00 1.08 O ATOM 1597 CB TYR A 99 8.231 -0.973 -6.097 1.00 0.63 C ATOM 1598 CG TYR A 99 7.791 -2.100 -7.004 1.00 0.65 C ATOM 1599 CD1 TYR A 99 7.351 -1.847 -8.297 1.00 0.74 C ATOM 1600 CD2 TYR A 99 7.819 -3.419 -6.567 1.00 0.75 C ATOM 1601 CE1 TYR A 99 6.950 -2.875 -9.129 1.00 0.84 C ATOM 1602 CE2 TYR A 99 7.420 -4.452 -7.394 1.00 0.92 C ATOM 1603 CZ TYR A 99 6.987 -4.176 -8.672 1.00 0.93 C ATOM 1604 OH TYR A 99 6.590 -5.203 -9.498 1.00 1.13 O ATOM 0 H TYR A 99 10.275 -2.205 -4.979 1.00 0.60 H new ATOM 0 HA TYR A 99 9.927 -0.381 -7.278 1.00 0.64 H new ATOM 0 HB2 TYR A 99 8.027 -1.249 -5.062 1.00 0.63 H new ATOM 0 HB3 TYR A 99 7.634 -0.088 -6.315 1.00 0.63 H new ATOM 0 HD1 TYR A 99 7.322 -0.830 -8.658 1.00 0.74 H new ATOM 0 HD2 TYR A 99 8.158 -3.640 -5.566 1.00 0.75 H new ATOM 0 HE1 TYR A 99 6.610 -2.661 -10.131 1.00 0.84 H new ATOM 0 HE2 TYR A 99 7.448 -5.472 -7.039 1.00 0.92 H new ATOM 0 HH TYR A 99 6.678 -6.056 -9.024 1.00 1.13 H new ATOM 1614 N VAL A 100 10.653 0.376 -4.228 1.00 0.68 N ATOM 1615 CA VAL A 100 11.026 1.471 -3.337 1.00 0.84 C ATOM 1616 C VAL A 100 12.494 1.843 -3.516 1.00 1.12 C ATOM 1617 O VAL A 100 13.188 1.279 -4.364 1.00 1.37 O ATOM 1618 CB VAL A 100 10.771 1.118 -1.858 1.00 0.72 C ATOM 1619 CG1 VAL A 100 9.313 1.356 -1.496 1.00 0.99 C ATOM 1620 CG2 VAL A 100 11.169 -0.320 -1.567 1.00 0.84 C ATOM 0 H VAL A 100 10.897 -0.553 -3.884 1.00 0.68 H new ATOM 0 HA VAL A 100 10.399 2.321 -3.605 1.00 0.84 H new ATOM 0 HB VAL A 100 11.389 1.770 -1.241 1.00 0.72 H new ATOM 0 HG11 VAL A 100 9.152 1.101 -0.448 1.00 0.99 H new ATOM 0 HG12 VAL A 100 9.065 2.405 -1.657 1.00 0.99 H new ATOM 0 HG13 VAL A 100 8.676 0.732 -2.123 1.00 0.99 H new ATOM 0 HG21 VAL A 100 10.980 -0.545 -0.517 1.00 0.84 H new ATOM 0 HG22 VAL A 100 10.584 -0.993 -2.194 1.00 0.84 H new ATOM 0 HG23 VAL A 100 12.229 -0.455 -1.781 1.00 0.84 H new ATOM 1630 N SER A 101 12.962 2.797 -2.716 1.00 1.24 N ATOM 1631 CA SER A 101 14.348 3.249 -2.785 1.00 1.56 C ATOM 1632 C SER A 101 15.320 2.081 -2.642 1.00 1.20 C ATOM 1633 O SER A 101 14.960 1.019 -2.134 1.00 1.50 O ATOM 1634 CB SER A 101 14.621 4.288 -1.695 1.00 2.21 C ATOM 1635 OG SER A 101 13.418 4.883 -1.242 1.00 2.53 O ATOM 0 H SER A 101 12.400 3.273 -2.011 1.00 1.24 H new ATOM 0 HA SER A 101 14.502 3.703 -3.764 1.00 1.56 H new ATOM 0 HB2 SER A 101 15.133 3.814 -0.858 1.00 2.21 H new ATOM 0 HB3 SER A 101 15.288 5.059 -2.082 1.00 2.21 H new ATOM 0 HG SER A 101 13.621 5.541 -0.545 1.00 2.53 H new ATOM 1641 N GLU A 102 16.553 2.287 -3.095 1.00 1.32 N ATOM 1642 CA GLU A 102 17.581 1.254 -3.015 1.00 1.81 C ATOM 1643 C GLU A 102 18.140 1.157 -1.600 1.00 1.95 C ATOM 1644 O GLU A 102 18.854 0.210 -1.268 1.00 2.25 O ATOM 1645 CB GLU A 102 18.711 1.551 -4.004 1.00 2.43 C ATOM 1646 CG GLU A 102 18.701 0.650 -5.228 1.00 3.30 C ATOM 1647 CD GLU A 102 19.660 1.120 -6.305 1.00 3.82 C ATOM 1648 OE1 GLU A 102 20.701 1.715 -5.954 1.00 4.26 O ATOM 1649 OE2 GLU A 102 19.369 0.895 -7.498 1.00 4.07 O ATOM 0 H GLU A 102 16.865 3.160 -3.521 1.00 1.32 H new ATOM 0 HA GLU A 102 17.124 0.299 -3.274 1.00 1.81 H new ATOM 0 HB2 GLU A 102 18.636 2.589 -4.327 1.00 2.43 H new ATOM 0 HB3 GLU A 102 19.668 1.444 -3.492 1.00 2.43 H new ATOM 0 HG2 GLU A 102 18.964 -0.365 -4.930 1.00 3.30 H new ATOM 0 HG3 GLU A 102 17.692 0.610 -5.637 1.00 3.30 H new ATOM 1656 N ASP A 103 17.811 2.144 -0.772 1.00 1.90 N ATOM 1657 CA ASP A 103 18.275 2.176 0.611 1.00 2.17 C ATOM 1658 C ASP A 103 17.641 1.052 1.427 1.00 1.97 C ATOM 1659 O ASP A 103 17.942 0.886 2.609 1.00 2.18 O ATOM 1660 CB ASP A 103 17.949 3.528 1.250 1.00 2.39 C ATOM 1661 CG ASP A 103 19.180 4.393 1.433 1.00 2.79 C ATOM 1662 OD1 ASP A 103 20.093 3.978 2.175 1.00 3.15 O ATOM 1663 OD2 ASP A 103 19.230 5.488 0.833 1.00 3.12 O ATOM 0 H ASP A 103 17.223 2.935 -1.036 1.00 1.90 H new ATOM 0 HA ASP A 103 19.356 2.033 0.606 1.00 2.17 H new ATOM 0 HB2 ASP A 103 17.227 4.056 0.628 1.00 2.39 H new ATOM 0 HB3 ASP A 103 17.476 3.364 2.218 1.00 2.39 H new ATOM 1668 N LEU A 104 16.765 0.284 0.787 1.00 1.66 N ATOM 1669 CA LEU A 104 16.086 -0.820 1.456 1.00 1.57 C ATOM 1670 C LEU A 104 16.962 -2.069 1.476 1.00 1.70 C ATOM 1671 O LEU A 104 16.621 -3.066 2.110 1.00 1.91 O ATOM 1672 CB LEU A 104 14.757 -1.128 0.757 1.00 1.43 C ATOM 1673 CG LEU A 104 13.570 -0.254 1.179 1.00 1.27 C ATOM 1674 CD1 LEU A 104 13.301 -0.390 2.669 1.00 1.68 C ATOM 1675 CD2 LEU A 104 13.815 1.201 0.808 1.00 1.73 C ATOM 0 H LEU A 104 16.509 0.406 -0.193 1.00 1.66 H new ATOM 0 HA LEU A 104 15.889 -0.520 2.485 1.00 1.57 H new ATOM 0 HB2 LEU A 104 14.899 -1.022 -0.318 1.00 1.43 H new ATOM 0 HB3 LEU A 104 14.502 -2.171 0.944 1.00 1.43 H new ATOM 0 HG LEU A 104 12.687 -0.600 0.642 1.00 1.27 H new ATOM 0 HD11 LEU A 104 12.455 0.239 2.945 1.00 1.68 H new ATOM 0 HD12 LEU A 104 13.072 -1.429 2.904 1.00 1.68 H new ATOM 0 HD13 LEU A 104 14.183 -0.077 3.228 1.00 1.68 H new ATOM 0 HD21 LEU A 104 12.961 1.804 1.116 1.00 1.73 H new ATOM 0 HD22 LEU A 104 14.713 1.559 1.312 1.00 1.73 H new ATOM 0 HD23 LEU A 104 13.947 1.284 -0.271 1.00 1.73 H new ATOM 1687 N HIS A 105 18.092 -2.009 0.777 1.00 1.83 N ATOM 1688 CA HIS A 105 19.013 -3.137 0.725 1.00 2.15 C ATOM 1689 C HIS A 105 19.769 -3.272 2.043 1.00 2.44 C ATOM 1690 O HIS A 105 20.899 -2.801 2.172 1.00 2.79 O ATOM 1691 CB HIS A 105 20.002 -2.966 -0.431 1.00 2.42 C ATOM 1692 CG HIS A 105 19.374 -3.088 -1.787 1.00 2.36 C ATOM 1693 ND1 HIS A 105 20.017 -2.720 -2.949 1.00 2.91 N ATOM 1694 CD2 HIS A 105 18.154 -3.544 -2.164 1.00 2.29 C ATOM 1695 CE1 HIS A 105 19.223 -2.941 -3.981 1.00 3.15 C ATOM 1696 NE2 HIS A 105 18.087 -3.441 -3.532 1.00 2.81 N ATOM 0 H HIS A 105 18.390 -1.194 0.241 1.00 1.83 H new ATOM 0 HA HIS A 105 18.433 -4.045 0.560 1.00 2.15 H new ATOM 0 HB2 HIS A 105 20.478 -1.989 -0.348 1.00 2.42 H new ATOM 0 HB3 HIS A 105 20.790 -3.714 -0.337 1.00 2.42 H new ATOM 0 HD2 HIS A 105 17.380 -3.918 -1.511 1.00 2.29 H new ATOM 0 HE1 HIS A 105 19.462 -2.746 -5.016 1.00 3.15 H new ATOM 0 HE2 HIS A 105 17.288 -3.708 -4.108 1.00 2.81 H new ATOM 1705 N LYS A 106 19.138 -3.918 3.019 1.00 2.38 N ATOM 1706 CA LYS A 106 19.752 -4.106 4.329 1.00 2.72 C ATOM 1707 C LYS A 106 18.984 -5.131 5.159 1.00 2.73 C ATOM 1708 O LYS A 106 19.574 -5.869 5.948 1.00 3.11 O ATOM 1709 CB LYS A 106 19.804 -2.772 5.078 1.00 2.83 C ATOM 1710 CG LYS A 106 18.444 -2.105 5.221 1.00 2.56 C ATOM 1711 CD LYS A 106 17.864 -2.313 6.611 1.00 2.86 C ATOM 1712 CE LYS A 106 17.090 -1.093 7.080 1.00 3.00 C ATOM 1713 NZ LYS A 106 16.077 -1.442 8.114 1.00 3.43 N ATOM 0 H LYS A 106 18.205 -4.319 2.928 1.00 2.38 H new ATOM 0 HA LYS A 106 20.764 -4.480 4.175 1.00 2.72 H new ATOM 0 HB2 LYS A 106 20.225 -2.937 6.070 1.00 2.83 H new ATOM 0 HB3 LYS A 106 20.479 -2.095 4.553 1.00 2.83 H new ATOM 0 HG2 LYS A 106 18.538 -1.038 5.021 1.00 2.56 H new ATOM 0 HG3 LYS A 106 17.759 -2.510 4.476 1.00 2.56 H new ATOM 0 HD2 LYS A 106 17.206 -3.182 6.606 1.00 2.86 H new ATOM 0 HD3 LYS A 106 18.669 -2.527 7.314 1.00 2.86 H new ATOM 0 HE2 LYS A 106 17.784 -0.357 7.486 1.00 3.00 H new ATOM 0 HE3 LYS A 106 16.594 -0.628 6.228 1.00 3.00 H new ATOM 0 HZ1 LYS A 106 15.570 -0.583 8.408 1.00 3.43 H new ATOM 0 HZ2 LYS A 106 15.400 -2.125 7.720 1.00 3.43 H new ATOM 0 HZ3 LYS A 106 16.553 -1.862 8.938 1.00 3.43 H new ATOM 1727 N TYR A 107 17.667 -5.172 4.975 1.00 2.40 N ATOM 1728 CA TYR A 107 16.824 -6.100 5.718 1.00 2.46 C ATOM 1729 C TYR A 107 16.688 -7.418 4.966 1.00 2.35 C ATOM 1730 O TYR A 107 16.379 -8.454 5.555 1.00 2.42 O ATOM 1731 CB TYR A 107 15.443 -5.485 5.971 1.00 2.46 C ATOM 1732 CG TYR A 107 14.558 -5.422 4.743 1.00 2.20 C ATOM 1733 CD1 TYR A 107 13.723 -6.481 4.413 1.00 2.20 C ATOM 1734 CD2 TYR A 107 14.562 -4.306 3.916 1.00 2.03 C ATOM 1735 CE1 TYR A 107 12.915 -6.429 3.292 1.00 2.07 C ATOM 1736 CE2 TYR A 107 13.757 -4.246 2.795 1.00 1.88 C ATOM 1737 CZ TYR A 107 12.932 -5.305 2.490 1.00 1.92 C ATOM 1738 OH TYR A 107 12.134 -5.254 1.370 1.00 1.91 O ATOM 0 H TYR A 107 17.163 -4.575 4.319 1.00 2.40 H new ATOM 0 HA TYR A 107 17.297 -6.298 6.680 1.00 2.46 H new ATOM 0 HB2 TYR A 107 14.935 -6.064 6.742 1.00 2.46 H new ATOM 0 HB3 TYR A 107 15.573 -4.477 6.364 1.00 2.46 H new ATOM 0 HD1 TYR A 107 13.704 -7.359 5.042 1.00 2.20 H new ATOM 0 HD2 TYR A 107 15.205 -3.471 4.153 1.00 2.03 H new ATOM 0 HE1 TYR A 107 12.274 -7.263 3.045 1.00 2.07 H new ATOM 0 HE2 TYR A 107 13.775 -3.372 2.161 1.00 1.88 H new ATOM 0 HH TYR A 107 11.891 -4.323 1.183 1.00 1.91 H new ATOM 1748 N ILE A 108 16.919 -7.361 3.659 1.00 2.27 N ATOM 1749 CA ILE A 108 16.831 -8.539 2.809 1.00 2.27 C ATOM 1750 C ILE A 108 17.674 -9.686 3.375 1.00 2.49 C ATOM 1751 O ILE A 108 18.902 -9.603 3.398 1.00 2.67 O ATOM 1752 CB ILE A 108 17.298 -8.217 1.374 1.00 2.29 C ATOM 1753 CG1 ILE A 108 16.238 -7.389 0.647 1.00 2.08 C ATOM 1754 CG2 ILE A 108 17.597 -9.491 0.603 1.00 2.59 C ATOM 1755 CD1 ILE A 108 16.508 -5.901 0.680 1.00 1.86 C ATOM 0 H ILE A 108 17.170 -6.505 3.164 1.00 2.27 H new ATOM 0 HA ILE A 108 15.786 -8.847 2.782 1.00 2.27 H new ATOM 0 HB ILE A 108 18.217 -7.635 1.435 1.00 2.29 H new ATOM 0 HG12 ILE A 108 16.181 -7.717 -0.391 1.00 2.08 H new ATOM 0 HG13 ILE A 108 15.264 -7.584 1.097 1.00 2.08 H new ATOM 0 HG21 ILE A 108 17.924 -9.238 -0.405 1.00 2.59 H new ATOM 0 HG22 ILE A 108 18.385 -10.047 1.111 1.00 2.59 H new ATOM 0 HG23 ILE A 108 16.697 -10.103 0.549 1.00 2.59 H new ATOM 0 HD11 ILE A 108 15.717 -5.376 0.145 1.00 1.86 H new ATOM 0 HD12 ILE A 108 16.536 -5.559 1.715 1.00 1.86 H new ATOM 0 HD13 ILE A 108 17.466 -5.694 0.204 1.00 1.86 H new ATOM 1767 N PRO A 109 17.025 -10.772 3.844 1.00 2.54 N ATOM 1768 CA PRO A 109 17.733 -11.928 4.411 1.00 2.77 C ATOM 1769 C PRO A 109 18.769 -12.505 3.452 1.00 3.02 C ATOM 1770 O PRO A 109 18.633 -12.392 2.234 1.00 3.11 O ATOM 1771 CB PRO A 109 16.615 -12.943 4.669 1.00 2.80 C ATOM 1772 CG PRO A 109 15.381 -12.120 4.802 1.00 2.70 C ATOM 1773 CD PRO A 109 15.562 -10.963 3.862 1.00 2.48 C ATOM 0 HA PRO A 109 18.295 -11.659 5.305 1.00 2.77 H new ATOM 0 HB2 PRO A 109 16.530 -13.655 3.848 1.00 2.80 H new ATOM 0 HB3 PRO A 109 16.805 -13.520 5.574 1.00 2.80 H new ATOM 0 HG2 PRO A 109 14.494 -12.699 4.544 1.00 2.70 H new ATOM 0 HG3 PRO A 109 15.249 -11.775 5.827 1.00 2.70 H new ATOM 0 HD2 PRO A 109 15.172 -11.186 2.869 1.00 2.48 H new ATOM 0 HD3 PRO A 109 15.043 -10.072 4.215 1.00 2.48 H new ATOM 1781 N ARG A 110 19.803 -13.124 4.014 1.00 3.26 N ATOM 1782 CA ARG A 110 20.868 -13.720 3.213 1.00 3.61 C ATOM 1783 C ARG A 110 20.456 -15.097 2.699 1.00 3.87 C ATOM 1784 O ARG A 110 20.263 -16.005 3.535 1.00 4.38 O ATOM 1785 CB ARG A 110 22.152 -13.833 4.038 1.00 4.21 C ATOM 1786 CG ARG A 110 23.321 -13.054 3.456 1.00 4.62 C ATOM 1787 CD ARG A 110 24.337 -13.978 2.806 1.00 5.34 C ATOM 1788 NE ARG A 110 23.753 -14.747 1.710 1.00 5.83 N ATOM 1789 CZ ARG A 110 24.467 -15.311 0.740 1.00 6.55 C ATOM 1790 NH1 ARG A 110 25.789 -15.189 0.727 1.00 6.84 N ATOM 1791 NH2 ARG A 110 23.861 -15.997 -0.218 1.00 7.27 N ATOM 1792 OXT ARG A 110 20.328 -15.253 1.467 1.00 4.05 O ATOM 0 H ARG A 110 19.926 -13.226 5.021 1.00 3.26 H new ATOM 0 HA ARG A 110 21.051 -13.072 2.356 1.00 3.61 H new ATOM 0 HB2 ARG A 110 21.956 -13.477 5.049 1.00 4.21 H new ATOM 0 HB3 ARG A 110 22.431 -14.884 4.119 1.00 4.21 H new ATOM 0 HG2 ARG A 110 22.953 -12.340 2.719 1.00 4.62 H new ATOM 0 HG3 ARG A 110 23.804 -12.477 4.245 1.00 4.62 H new ATOM 0 HD2 ARG A 110 25.174 -13.390 2.431 1.00 5.34 H new ATOM 0 HD3 ARG A 110 24.738 -14.661 3.555 1.00 5.34 H new ATOM 0 HE ARG A 110 22.739 -14.858 1.687 1.00 5.83 H new ATOM 0 HH11 ARG A 110 26.260 -14.662 1.462 1.00 6.84 H new ATOM 0 HH12 ARG A 110 26.334 -15.623 -0.018 1.00 6.84 H new ATOM 0 HH21 ARG A 110 22.846 -16.093 -0.212 1.00 7.27 H new ATOM 0 HH22 ARG A 110 24.410 -16.429 -0.961 1.00 7.27 H new TER 1806 ARG A 110