USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=23 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 75 HIS : no HD1:sc= -0.119 X(o=2.1,f=2) USER MOD Set 1.2: A 76 THR OG1 : rot 35:sc= 1.14 USER MOD Set 1.3: A 79 THR OG1 : rot -130:sc= 1.06 USER MOD Single : A 1 GLY N :NH3+ 171:sc=-0.00356 (180deg=-0.0987) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN :FLIP amide:sc= 0.486 F(o=-0.34,f=0.49) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.241 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0.136 X(o=0.14,f=0) USER MOD Single : A 25 CYS SG : rot 59:sc= -0.137 USER MOD Single : A 27 HIS : no HE2:sc= -0.302 X(o=-0.3,f=-0.36) USER MOD Single : A 35 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.4!) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.124 F(o=-0.66,f=-0.12) USER MOD Single : A 39 THR OG1 : rot 85:sc= 0.475 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 : amide:sc= -0.126 K(o=-0.13,f=-2.3!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0662 X(o=-0.066,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 0.331 (180deg=0.241) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 132:sc= 0.00742 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 72 GLN : amide:sc= -0.0672 X(o=-0.067,f=-0.02) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -1.29 F(o=-3.7!,f=-1.3) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 165:sc= 0.0465 (180deg=0.0153) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.7!) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.0016 X(o=-0.0016,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.521 23.892 12.957 1.00 14.04 N ATOM 2 CA GLY A 1 10.605 23.183 13.694 1.00 13.85 C ATOM 3 C GLY A 1 11.847 22.984 12.846 1.00 13.29 C ATOM 4 O GLY A 1 12.538 21.972 12.977 1.00 13.45 O ATOM 0 H1 GLY A 1 8.647 23.870 13.520 1.00 14.04 H new ATOM 0 H2 GLY A 1 9.802 24.880 12.792 1.00 14.04 H new ATOM 0 H3 GLY A 1 9.357 23.422 12.044 1.00 14.04 H new ATOM 0 HA2 GLY A 1 10.865 23.751 14.587 1.00 13.85 H new ATOM 0 HA3 GLY A 1 10.238 22.213 14.029 1.00 13.85 H new ATOM 10 N SER A 2 12.129 23.951 11.978 1.00 12.81 N ATOM 11 CA SER A 2 13.294 23.884 11.100 1.00 12.44 C ATOM 12 C SER A 2 13.259 22.623 10.244 1.00 11.66 C ATOM 13 O SER A 2 14.293 22.002 9.990 1.00 11.62 O ATOM 14 CB SER A 2 14.585 23.927 11.921 1.00 13.00 C ATOM 15 OG SER A 2 15.582 24.690 11.265 1.00 13.39 O ATOM 0 H SER A 2 11.565 24.793 11.863 1.00 12.81 H new ATOM 0 HA SER A 2 13.268 24.750 10.438 1.00 12.44 H new ATOM 0 HB2 SER A 2 14.381 24.356 12.902 1.00 13.00 H new ATOM 0 HB3 SER A 2 14.949 22.913 12.086 1.00 13.00 H new ATOM 0 HG SER A 2 16.396 24.703 11.811 1.00 13.39 H new ATOM 21 N HIS A 3 12.063 22.247 9.803 1.00 11.24 N ATOM 22 CA HIS A 3 11.889 21.061 8.974 1.00 10.68 C ATOM 23 C HIS A 3 11.491 21.449 7.553 1.00 9.83 C ATOM 24 O HIS A 3 10.644 20.803 6.936 1.00 9.74 O ATOM 25 CB HIS A 3 10.830 20.139 9.582 1.00 11.22 C ATOM 26 CG HIS A 3 11.356 19.272 10.684 1.00 11.78 C ATOM 27 ND1 HIS A 3 12.276 18.266 10.477 1.00 12.09 N ATOM 28 CD2 HIS A 3 11.085 19.266 12.011 1.00 12.30 C ATOM 29 CE1 HIS A 3 12.548 17.677 11.628 1.00 12.74 C ATOM 30 NE2 HIS A 3 11.840 18.266 12.574 1.00 12.87 N ATOM 0 H HIS A 3 11.198 22.748 10.007 1.00 11.24 H new ATOM 0 HA HIS A 3 12.840 20.530 8.934 1.00 10.68 H new ATOM 0 HB2 HIS A 3 10.010 20.745 9.967 1.00 11.22 H new ATOM 0 HB3 HIS A 3 10.417 19.505 8.797 1.00 11.22 H new ATOM 0 HD2 HIS A 3 10.403 19.924 12.529 1.00 12.30 H new ATOM 0 HE1 HIS A 3 13.233 16.854 11.771 1.00 12.74 H new ATOM 0 HE2 HIS A 3 11.852 18.018 13.563 1.00 12.87 H new ATOM 39 N MET A 4 12.111 22.507 7.042 1.00 9.43 N ATOM 40 CA MET A 4 11.823 22.986 5.696 1.00 8.83 C ATOM 41 C MET A 4 12.928 22.578 4.726 1.00 8.04 C ATOM 42 O MET A 4 13.829 21.818 5.083 1.00 8.16 O ATOM 43 CB MET A 4 11.665 24.506 5.696 1.00 9.24 C ATOM 44 CG MET A 4 10.533 25.000 4.811 1.00 9.89 C ATOM 45 SD MET A 4 9.069 25.470 5.752 1.00 10.81 S ATOM 46 CE MET A 4 8.477 26.856 4.786 1.00 11.46 C ATOM 0 H MET A 4 12.817 23.049 7.540 1.00 9.43 H new ATOM 0 HA MET A 4 10.889 22.531 5.367 1.00 8.83 H new ATOM 0 HB2 MET A 4 11.491 24.845 6.717 1.00 9.24 H new ATOM 0 HB3 MET A 4 12.599 24.960 5.364 1.00 9.24 H new ATOM 0 HG2 MET A 4 10.878 25.856 4.231 1.00 9.89 H new ATOM 0 HG3 MET A 4 10.267 24.219 4.099 1.00 9.89 H new ATOM 0 HE1 MET A 4 7.572 27.258 5.242 1.00 11.46 H new ATOM 0 HE2 MET A 4 9.243 27.631 4.755 1.00 11.46 H new ATOM 0 HE3 MET A 4 8.255 26.524 3.772 1.00 11.46 H new ATOM 56 N SER A 5 12.848 23.088 3.501 1.00 7.48 N ATOM 57 CA SER A 5 13.838 22.782 2.474 1.00 6.96 C ATOM 58 C SER A 5 13.932 21.278 2.236 1.00 5.97 C ATOM 59 O SER A 5 14.980 20.765 1.841 1.00 5.85 O ATOM 60 CB SER A 5 15.207 23.337 2.872 1.00 7.28 C ATOM 61 OG SER A 5 15.179 24.751 2.957 1.00 7.75 O ATOM 0 H SER A 5 12.106 23.717 3.195 1.00 7.48 H new ATOM 0 HA SER A 5 13.519 23.257 1.546 1.00 6.96 H new ATOM 0 HB2 SER A 5 15.508 22.918 3.832 1.00 7.28 H new ATOM 0 HB3 SER A 5 15.955 23.028 2.141 1.00 7.28 H new ATOM 0 HG SER A 5 16.065 25.081 3.215 1.00 7.75 H new ATOM 67 N HIS A 6 12.831 20.575 2.480 1.00 5.62 N ATOM 68 CA HIS A 6 12.789 19.130 2.293 1.00 5.03 C ATOM 69 C HIS A 6 12.893 18.771 0.814 1.00 4.34 C ATOM 70 O HIS A 6 12.125 19.268 -0.010 1.00 4.70 O ATOM 71 CB HIS A 6 11.501 18.551 2.882 1.00 5.60 C ATOM 72 CG HIS A 6 11.733 17.653 4.058 1.00 6.21 C ATOM 73 ND1 HIS A 6 11.791 16.278 3.955 1.00 6.80 N ATOM 74 CD2 HIS A 6 11.922 17.938 5.367 1.00 6.70 C ATOM 75 CE1 HIS A 6 12.005 15.759 5.150 1.00 7.53 C ATOM 76 NE2 HIS A 6 12.089 16.744 6.024 1.00 7.49 N ATOM 0 H HIS A 6 11.956 20.983 2.808 1.00 5.62 H new ATOM 0 HA HIS A 6 13.642 18.698 2.816 1.00 5.03 H new ATOM 0 HB2 HIS A 6 10.848 19.370 3.184 1.00 5.60 H new ATOM 0 HB3 HIS A 6 10.975 17.993 2.107 1.00 5.60 H new ATOM 0 HD2 HIS A 6 11.938 18.922 5.812 1.00 6.70 H new ATOM 0 HE1 HIS A 6 12.096 14.706 5.374 1.00 7.53 H new ATOM 0 HE2 HIS A 6 12.252 16.636 7.025 1.00 7.49 H new ATOM 85 N LEU A 7 13.848 17.907 0.488 1.00 3.79 N ATOM 86 CA LEU A 7 14.057 17.480 -0.891 1.00 3.54 C ATOM 87 C LEU A 7 14.419 15.999 -0.952 1.00 3.05 C ATOM 88 O LEU A 7 15.587 15.642 -1.108 1.00 3.39 O ATOM 89 CB LEU A 7 15.161 18.316 -1.543 1.00 4.07 C ATOM 90 CG LEU A 7 15.191 18.272 -3.072 1.00 4.94 C ATOM 91 CD1 LEU A 7 14.475 19.480 -3.654 1.00 5.66 C ATOM 92 CD2 LEU A 7 16.626 18.207 -3.574 1.00 5.67 C ATOM 0 H LEU A 7 14.490 17.488 1.161 1.00 3.79 H new ATOM 0 HA LEU A 7 13.126 17.630 -1.438 1.00 3.54 H new ATOM 0 HB2 LEU A 7 15.045 19.353 -1.227 1.00 4.07 H new ATOM 0 HB3 LEU A 7 16.125 17.974 -1.166 1.00 4.07 H new ATOM 0 HG LEU A 7 14.670 17.373 -3.402 1.00 4.94 H new ATOM 0 HD11 LEU A 7 14.506 19.432 -4.742 1.00 5.66 H new ATOM 0 HD12 LEU A 7 13.437 19.483 -3.321 1.00 5.66 H new ATOM 0 HD13 LEU A 7 14.967 20.392 -3.317 1.00 5.66 H new ATOM 0 HD21 LEU A 7 16.629 18.176 -4.664 1.00 5.67 H new ATOM 0 HD22 LEU A 7 17.171 19.088 -3.234 1.00 5.67 H new ATOM 0 HD23 LEU A 7 17.108 17.310 -3.184 1.00 5.67 H new ATOM 104 N ASP A 8 13.409 15.143 -0.828 1.00 2.65 N ATOM 105 CA ASP A 8 13.618 13.700 -0.870 1.00 2.38 C ATOM 106 C ASP A 8 12.305 12.969 -1.130 1.00 2.22 C ATOM 107 O ASP A 8 11.428 12.921 -0.264 1.00 2.74 O ATOM 108 CB ASP A 8 14.235 13.214 0.444 1.00 2.57 C ATOM 109 CG ASP A 8 15.733 13.011 0.338 1.00 3.32 C ATOM 110 OD1 ASP A 8 16.162 12.170 -0.480 1.00 3.77 O ATOM 111 OD2 ASP A 8 16.478 13.691 1.074 1.00 3.86 O ATOM 0 H ASP A 8 12.437 15.424 -0.698 1.00 2.65 H new ATOM 0 HA ASP A 8 14.304 13.480 -1.688 1.00 2.38 H new ATOM 0 HB2 ASP A 8 14.024 13.938 1.231 1.00 2.57 H new ATOM 0 HB3 ASP A 8 13.764 12.276 0.739 1.00 2.57 H new ATOM 116 N ASN A 9 12.174 12.399 -2.324 1.00 1.98 N ATOM 117 CA ASN A 9 10.965 11.674 -2.696 1.00 2.16 C ATOM 118 C ASN A 9 11.262 10.623 -3.761 1.00 1.77 C ATOM 119 O ASN A 9 12.113 10.826 -4.627 1.00 2.00 O ATOM 120 CB ASN A 9 9.904 12.649 -3.210 1.00 2.89 C ATOM 121 CG ASN A 9 8.613 12.568 -2.421 1.00 3.63 C ATOM 122 OD1 ASN A 9 7.501 12.387 -3.124 1.00 4.06 O flip ATOM 123 ND2 ASN A 9 8.613 12.668 -1.194 1.00 4.31 N flip ATOM 0 H ASN A 9 12.890 12.425 -3.050 1.00 1.98 H new ATOM 0 HA ASN A 9 10.588 11.166 -1.808 1.00 2.16 H new ATOM 0 HB2 ASN A 9 10.294 13.666 -3.160 1.00 2.89 H new ATOM 0 HB3 ASN A 9 9.699 12.438 -4.260 1.00 2.89 H new ATOM 0 HD21 ASN A 9 9.491 12.806 -0.694 1.00 4.31 H new ATOM 0 HD22 ASN A 9 7.735 12.612 -0.678 1.00 4.31 H new ATOM 130 N THR A 10 10.553 9.499 -3.689 1.00 1.51 N ATOM 131 CA THR A 10 10.737 8.415 -4.647 1.00 1.25 C ATOM 132 C THR A 10 9.905 8.651 -5.904 1.00 1.22 C ATOM 133 O THR A 10 10.399 9.192 -6.893 1.00 1.93 O ATOM 134 CB THR A 10 10.354 7.053 -4.035 1.00 1.11 C ATOM 135 OG1 THR A 10 9.165 7.186 -3.249 1.00 1.23 O ATOM 136 CG2 THR A 10 11.482 6.512 -3.172 1.00 1.18 C ATOM 0 H THR A 10 9.846 9.316 -2.977 1.00 1.51 H new ATOM 0 HA THR A 10 11.794 8.398 -4.911 1.00 1.25 H new ATOM 0 HB THR A 10 10.173 6.351 -4.849 1.00 1.11 H new ATOM 0 HG1 THR A 10 8.928 6.316 -2.865 1.00 1.23 H new ATOM 0 HG21 THR A 10 11.189 5.550 -2.751 1.00 1.18 H new ATOM 0 HG22 THR A 10 12.377 6.384 -3.781 1.00 1.18 H new ATOM 0 HG23 THR A 10 11.691 7.213 -2.364 1.00 1.18 H new ATOM 144 N MET A 11 8.639 8.242 -5.860 1.00 0.77 N ATOM 145 CA MET A 11 7.739 8.413 -6.996 1.00 0.68 C ATOM 146 C MET A 11 6.283 8.290 -6.560 1.00 0.61 C ATOM 147 O MET A 11 5.924 7.384 -5.809 1.00 0.63 O ATOM 148 CB MET A 11 8.046 7.380 -8.083 1.00 0.70 C ATOM 149 CG MET A 11 8.200 5.963 -7.555 1.00 0.72 C ATOM 150 SD MET A 11 9.246 4.938 -8.610 1.00 1.23 S ATOM 151 CE MET A 11 8.116 3.611 -9.020 1.00 0.74 C ATOM 0 H MET A 11 8.214 7.790 -5.050 1.00 0.77 H new ATOM 0 HA MET A 11 7.897 9.412 -7.402 1.00 0.68 H new ATOM 0 HB2 MET A 11 7.247 7.397 -8.824 1.00 0.70 H new ATOM 0 HB3 MET A 11 8.963 7.668 -8.597 1.00 0.70 H new ATOM 0 HG2 MET A 11 8.625 5.997 -6.552 1.00 0.72 H new ATOM 0 HG3 MET A 11 7.216 5.503 -7.468 1.00 0.72 H new ATOM 0 HE1 MET A 11 8.618 2.894 -9.670 1.00 0.74 H new ATOM 0 HE2 MET A 11 7.795 3.111 -8.106 1.00 0.74 H new ATOM 0 HE3 MET A 11 7.246 4.020 -9.534 1.00 0.74 H new ATOM 161 N ALA A 12 5.452 9.214 -7.033 1.00 0.57 N ATOM 162 CA ALA A 12 4.032 9.214 -6.701 1.00 0.56 C ATOM 163 C ALA A 12 3.404 7.854 -6.967 1.00 0.48 C ATOM 164 O ALA A 12 3.688 7.213 -7.979 1.00 0.46 O ATOM 165 CB ALA A 12 3.305 10.296 -7.486 1.00 0.62 C ATOM 0 H ALA A 12 5.739 9.974 -7.649 1.00 0.57 H new ATOM 0 HA ALA A 12 3.936 9.426 -5.636 1.00 0.56 H new ATOM 0 HB1 ALA A 12 2.246 10.284 -7.228 1.00 0.62 H new ATOM 0 HB2 ALA A 12 3.727 11.270 -7.240 1.00 0.62 H new ATOM 0 HB3 ALA A 12 3.420 10.110 -8.554 1.00 0.62 H new ATOM 171 N ILE A 13 2.560 7.418 -6.041 1.00 0.46 N ATOM 172 CA ILE A 13 1.875 6.138 -6.158 1.00 0.44 C ATOM 173 C ILE A 13 1.127 6.037 -7.489 1.00 0.43 C ATOM 174 O ILE A 13 0.924 4.944 -8.018 1.00 0.45 O ATOM 175 CB ILE A 13 0.893 5.945 -4.981 1.00 0.48 C ATOM 176 CG1 ILE A 13 1.641 5.431 -3.750 1.00 0.65 C ATOM 177 CG2 ILE A 13 -0.239 4.992 -5.349 1.00 0.54 C ATOM 178 CD1 ILE A 13 0.925 5.712 -2.447 1.00 0.58 C ATOM 0 H ILE A 13 2.332 7.938 -5.193 1.00 0.46 H new ATOM 0 HA ILE A 13 2.626 5.348 -6.126 1.00 0.44 H new ATOM 0 HB ILE A 13 0.450 6.914 -4.751 1.00 0.48 H new ATOM 0 HG12 ILE A 13 1.791 4.356 -3.848 1.00 0.65 H new ATOM 0 HG13 ILE A 13 2.630 5.889 -3.718 1.00 0.65 H new ATOM 0 HG21 ILE A 13 -0.911 4.879 -4.498 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -0.792 5.395 -6.197 1.00 0.54 H new ATOM 0 HG23 ILE A 13 0.176 4.020 -5.615 1.00 0.54 H new ATOM 0 HD11 ILE A 13 1.513 5.320 -1.617 1.00 0.58 H new ATOM 0 HD12 ILE A 13 0.799 6.788 -2.326 1.00 0.58 H new ATOM 0 HD13 ILE A 13 -0.053 5.231 -2.458 1.00 0.58 H new ATOM 190 N ARG A 14 0.727 7.185 -8.030 1.00 0.47 N ATOM 191 CA ARG A 14 0.006 7.223 -9.298 1.00 0.53 C ATOM 192 C ARG A 14 0.799 6.515 -10.397 1.00 0.51 C ATOM 193 O ARG A 14 0.223 5.947 -11.325 1.00 0.66 O ATOM 194 CB ARG A 14 -0.276 8.673 -9.706 1.00 0.62 C ATOM 195 CG ARG A 14 0.915 9.377 -10.339 1.00 1.28 C ATOM 196 CD ARG A 14 0.895 10.870 -10.060 1.00 1.42 C ATOM 197 NE ARG A 14 0.303 11.625 -11.161 1.00 1.82 N ATOM 198 CZ ARG A 14 0.877 12.685 -11.723 1.00 2.23 C ATOM 199 NH1 ARG A 14 2.053 13.117 -11.288 1.00 2.63 N ATOM 200 NH2 ARG A 14 0.274 13.316 -12.721 1.00 2.82 N ATOM 0 H ARG A 14 0.890 8.100 -7.610 1.00 0.47 H new ATOM 0 HA ARG A 14 -0.941 6.700 -9.165 1.00 0.53 H new ATOM 0 HB2 ARG A 14 -1.110 8.687 -10.408 1.00 0.62 H new ATOM 0 HB3 ARG A 14 -0.591 9.233 -8.826 1.00 0.62 H new ATOM 0 HG2 ARG A 14 1.840 8.947 -9.954 1.00 1.28 H new ATOM 0 HG3 ARG A 14 0.909 9.207 -11.416 1.00 1.28 H new ATOM 0 HD2 ARG A 14 0.332 11.060 -9.146 1.00 1.42 H new ATOM 0 HD3 ARG A 14 1.913 11.220 -9.886 1.00 1.42 H new ATOM 0 HE ARG A 14 -0.603 11.322 -11.520 1.00 1.82 H new ATOM 0 HH11 ARG A 14 2.521 12.636 -10.520 1.00 2.63 H new ATOM 0 HH12 ARG A 14 2.490 13.930 -11.722 1.00 2.63 H new ATOM 0 HH21 ARG A 14 -0.631 12.989 -13.059 1.00 2.82 H new ATOM 0 HH22 ARG A 14 0.715 14.129 -13.151 1.00 2.82 H new ATOM 214 N LEU A 15 2.122 6.556 -10.280 1.00 0.43 N ATOM 215 CA LEU A 15 3.001 5.924 -11.257 1.00 0.46 C ATOM 216 C LEU A 15 3.142 4.430 -10.984 1.00 0.42 C ATOM 217 O LEU A 15 3.373 3.642 -11.902 1.00 0.44 O ATOM 218 CB LEU A 15 4.377 6.589 -11.236 1.00 0.54 C ATOM 219 CG LEU A 15 5.165 6.481 -12.539 1.00 0.64 C ATOM 220 CD1 LEU A 15 4.951 7.716 -13.397 1.00 1.44 C ATOM 221 CD2 LEU A 15 6.642 6.281 -12.247 1.00 1.51 C ATOM 0 H LEU A 15 2.610 7.022 -9.515 1.00 0.43 H new ATOM 0 HA LEU A 15 2.555 6.051 -12.243 1.00 0.46 H new ATOM 0 HB2 LEU A 15 4.251 7.644 -10.992 1.00 0.54 H new ATOM 0 HB3 LEU A 15 4.967 6.144 -10.434 1.00 0.54 H new ATOM 0 HG LEU A 15 4.802 5.615 -13.093 1.00 0.64 H new ATOM 0 HD11 LEU A 15 5.521 7.620 -14.321 1.00 1.44 H new ATOM 0 HD12 LEU A 15 3.891 7.816 -13.633 1.00 1.44 H new ATOM 0 HD13 LEU A 15 5.287 8.599 -12.854 1.00 1.44 H new ATOM 0 HD21 LEU A 15 7.191 6.206 -13.185 1.00 1.51 H new ATOM 0 HD22 LEU A 15 7.018 7.129 -11.674 1.00 1.51 H new ATOM 0 HD23 LEU A 15 6.778 5.365 -11.672 1.00 1.51 H new ATOM 233 N LEU A 16 3.006 4.047 -9.716 1.00 0.38 N ATOM 234 CA LEU A 16 3.118 2.647 -9.320 1.00 0.38 C ATOM 235 C LEU A 16 2.187 1.771 -10.160 1.00 0.36 C ATOM 236 O LEU A 16 0.967 1.939 -10.116 1.00 0.35 O ATOM 237 CB LEU A 16 2.791 2.486 -7.832 1.00 0.39 C ATOM 238 CG LEU A 16 3.963 2.727 -6.871 1.00 0.67 C ATOM 239 CD1 LEU A 16 4.931 1.557 -6.908 1.00 0.92 C ATOM 240 CD2 LEU A 16 4.683 4.026 -7.210 1.00 0.93 C ATOM 0 H LEU A 16 2.818 4.688 -8.945 1.00 0.38 H new ATOM 0 HA LEU A 16 4.145 2.325 -9.492 1.00 0.38 H new ATOM 0 HB2 LEU A 16 1.987 3.176 -7.577 1.00 0.39 H new ATOM 0 HB3 LEU A 16 2.410 1.478 -7.668 1.00 0.39 H new ATOM 0 HG LEU A 16 3.562 2.813 -5.861 1.00 0.67 H new ATOM 0 HD11 LEU A 16 5.756 1.745 -6.221 1.00 0.92 H new ATOM 0 HD12 LEU A 16 4.412 0.646 -6.611 1.00 0.92 H new ATOM 0 HD13 LEU A 16 5.321 1.439 -7.919 1.00 0.92 H new ATOM 0 HD21 LEU A 16 5.510 4.176 -6.516 1.00 0.93 H new ATOM 0 HD22 LEU A 16 5.069 3.973 -8.228 1.00 0.93 H new ATOM 0 HD23 LEU A 16 3.986 4.860 -7.129 1.00 0.93 H new ATOM 252 N PRO A 17 2.747 0.822 -10.939 1.00 0.38 N ATOM 253 CA PRO A 17 1.952 -0.071 -11.792 1.00 0.40 C ATOM 254 C PRO A 17 0.855 -0.800 -11.022 1.00 0.35 C ATOM 255 O PRO A 17 1.128 -1.512 -10.055 1.00 0.35 O ATOM 256 CB PRO A 17 2.983 -1.066 -12.330 1.00 0.46 C ATOM 257 CG PRO A 17 4.278 -0.336 -12.267 1.00 0.48 C ATOM 258 CD PRO A 17 4.193 0.544 -11.054 1.00 0.43 C ATOM 0 HA PRO A 17 1.426 0.481 -12.571 1.00 0.40 H new ATOM 0 HB2 PRO A 17 3.010 -1.974 -11.727 1.00 0.46 H new ATOM 0 HB3 PRO A 17 2.747 -1.368 -13.350 1.00 0.46 H new ATOM 0 HG2 PRO A 17 5.115 -1.030 -12.189 1.00 0.48 H new ATOM 0 HG3 PRO A 17 4.438 0.255 -13.169 1.00 0.48 H new ATOM 0 HD2 PRO A 17 4.579 0.044 -10.166 1.00 0.43 H new ATOM 0 HD3 PRO A 17 4.770 1.460 -11.180 1.00 0.43 H new ATOM 266 N LEU A 18 -0.385 -0.612 -11.461 1.00 0.40 N ATOM 267 CA LEU A 18 -1.535 -1.247 -10.826 1.00 0.41 C ATOM 268 C LEU A 18 -1.616 -2.741 -11.166 1.00 0.36 C ATOM 269 O LEU A 18 -1.782 -3.567 -10.268 1.00 0.37 O ATOM 270 CB LEU A 18 -2.830 -0.542 -11.246 1.00 0.51 C ATOM 271 CG LEU A 18 -3.841 -0.291 -10.121 1.00 0.76 C ATOM 272 CD1 LEU A 18 -4.243 -1.598 -9.453 1.00 1.36 C ATOM 273 CD2 LEU A 18 -3.273 0.681 -9.095 1.00 1.64 C ATOM 0 H LEU A 18 -0.620 -0.022 -12.259 1.00 0.40 H new ATOM 0 HA LEU A 18 -1.408 -1.156 -9.747 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -2.571 0.415 -11.698 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -3.314 -1.139 -12.019 1.00 0.51 H new ATOM 0 HG LEU A 18 -4.733 0.155 -10.561 1.00 0.76 H new ATOM 0 HD11 LEU A 18 -4.961 -1.395 -8.658 1.00 1.36 H new ATOM 0 HD12 LEU A 18 -4.697 -2.259 -10.191 1.00 1.36 H new ATOM 0 HD13 LEU A 18 -3.360 -2.077 -9.030 1.00 1.36 H new ATOM 0 HD21 LEU A 18 -4.006 0.846 -8.305 1.00 1.64 H new ATOM 0 HD22 LEU A 18 -2.363 0.264 -8.664 1.00 1.64 H new ATOM 0 HD23 LEU A 18 -3.043 1.630 -9.581 1.00 1.64 H new ATOM 285 N PRO A 19 -1.508 -3.119 -12.463 1.00 0.36 N ATOM 286 CA PRO A 19 -1.579 -4.526 -12.878 1.00 0.41 C ATOM 287 C PRO A 19 -0.593 -5.413 -12.123 1.00 0.39 C ATOM 288 O PRO A 19 -0.821 -6.613 -11.964 1.00 0.44 O ATOM 289 CB PRO A 19 -1.229 -4.493 -14.374 1.00 0.49 C ATOM 290 CG PRO A 19 -0.667 -3.135 -14.625 1.00 0.59 C ATOM 291 CD PRO A 19 -1.313 -2.229 -13.620 1.00 0.40 C ATOM 0 HA PRO A 19 -2.561 -4.950 -12.669 1.00 0.41 H new ATOM 0 HB2 PRO A 19 -0.506 -5.269 -14.624 1.00 0.49 H new ATOM 0 HB3 PRO A 19 -2.112 -4.671 -14.987 1.00 0.49 H new ATOM 0 HG2 PRO A 19 0.417 -3.134 -14.511 1.00 0.59 H new ATOM 0 HG3 PRO A 19 -0.881 -2.806 -15.642 1.00 0.59 H new ATOM 0 HD2 PRO A 19 -0.678 -1.378 -13.374 1.00 0.40 H new ATOM 0 HD3 PRO A 19 -2.258 -1.826 -13.985 1.00 0.40 H new ATOM 299 N VAL A 20 0.502 -4.819 -11.658 1.00 0.38 N ATOM 300 CA VAL A 20 1.516 -5.561 -10.916 1.00 0.44 C ATOM 301 C VAL A 20 1.160 -5.629 -9.434 1.00 0.42 C ATOM 302 O VAL A 20 1.240 -6.689 -8.814 1.00 0.46 O ATOM 303 CB VAL A 20 2.911 -4.926 -11.075 1.00 0.51 C ATOM 304 CG1 VAL A 20 3.946 -5.682 -10.253 1.00 0.65 C ATOM 305 CG2 VAL A 20 3.313 -4.886 -12.541 1.00 0.56 C ATOM 0 H VAL A 20 0.710 -3.828 -11.782 1.00 0.38 H new ATOM 0 HA VAL A 20 1.542 -6.569 -11.330 1.00 0.44 H new ATOM 0 HB VAL A 20 2.866 -3.903 -10.703 1.00 0.51 H new ATOM 0 HG11 VAL A 20 4.923 -5.216 -10.381 1.00 0.65 H new ATOM 0 HG12 VAL A 20 3.665 -5.654 -9.200 1.00 0.65 H new ATOM 0 HG13 VAL A 20 3.991 -6.718 -10.589 1.00 0.65 H new ATOM 0 HG21 VAL A 20 4.301 -4.435 -12.635 1.00 0.56 H new ATOM 0 HG22 VAL A 20 3.338 -5.900 -12.939 1.00 0.56 H new ATOM 0 HG23 VAL A 20 2.589 -4.294 -13.101 1.00 0.56 H new ATOM 315 N ARG A 21 0.771 -4.487 -8.874 1.00 0.42 N ATOM 316 CA ARG A 21 0.397 -4.411 -7.466 1.00 0.46 C ATOM 317 C ARG A 21 -0.804 -5.306 -7.173 1.00 0.39 C ATOM 318 O ARG A 21 -1.112 -5.586 -6.014 1.00 0.38 O ATOM 319 CB ARG A 21 0.079 -2.966 -7.079 1.00 0.54 C ATOM 320 CG ARG A 21 1.315 -2.100 -6.899 1.00 1.17 C ATOM 321 CD ARG A 21 0.992 -0.819 -6.148 1.00 0.77 C ATOM 322 NE ARG A 21 0.239 0.126 -6.970 1.00 1.75 N ATOM 323 CZ ARG A 21 -0.361 1.211 -6.488 1.00 2.57 C ATOM 324 NH1 ARG A 21 -0.298 1.486 -5.192 1.00 2.82 N ATOM 325 NH2 ARG A 21 -1.025 2.020 -7.301 1.00 3.62 N ATOM 0 H ARG A 21 0.707 -3.601 -9.375 1.00 0.42 H new ATOM 0 HA ARG A 21 1.241 -4.761 -6.872 1.00 0.46 H new ATOM 0 HB2 ARG A 21 -0.556 -2.524 -7.847 1.00 0.54 H new ATOM 0 HB3 ARG A 21 -0.494 -2.964 -6.152 1.00 0.54 H new ATOM 0 HG2 ARG A 21 2.077 -2.659 -6.356 1.00 1.17 H new ATOM 0 HG3 ARG A 21 1.734 -1.855 -7.875 1.00 1.17 H new ATOM 0 HD2 ARG A 21 0.417 -1.059 -5.254 1.00 0.77 H new ATOM 0 HD3 ARG A 21 1.919 -0.351 -5.815 1.00 0.77 H new ATOM 0 HE ARG A 21 0.169 -0.057 -7.971 1.00 1.75 H new ATOM 0 HH11 ARG A 21 0.211 0.865 -4.563 1.00 2.82 H new ATOM 0 HH12 ARG A 21 -0.759 2.318 -4.824 1.00 2.82 H new ATOM 0 HH21 ARG A 21 -1.077 1.811 -8.298 1.00 3.62 H new ATOM 0 HH22 ARG A 21 -1.484 2.851 -6.930 1.00 3.62 H new ATOM 339 N ALA A 22 -1.479 -5.748 -8.231 1.00 0.40 N ATOM 340 CA ALA A 22 -2.649 -6.610 -8.093 1.00 0.40 C ATOM 341 C ALA A 22 -2.316 -7.867 -7.296 1.00 0.35 C ATOM 342 O ALA A 22 -3.169 -8.409 -6.592 1.00 0.37 O ATOM 343 CB ALA A 22 -3.194 -6.981 -9.464 1.00 0.48 C ATOM 0 H ALA A 22 -1.235 -5.523 -9.195 1.00 0.40 H new ATOM 0 HA ALA A 22 -3.414 -6.058 -7.546 1.00 0.40 H new ATOM 0 HB1 ALA A 22 -4.066 -7.624 -9.347 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -3.480 -6.075 -9.999 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -2.427 -7.510 -10.030 1.00 0.48 H new ATOM 349 N GLN A 23 -1.074 -8.326 -7.410 1.00 0.36 N ATOM 350 CA GLN A 23 -0.632 -9.519 -6.699 1.00 0.39 C ATOM 351 C GLN A 23 -0.597 -9.272 -5.194 1.00 0.34 C ATOM 352 O GLN A 23 -0.903 -10.163 -4.401 1.00 0.42 O ATOM 353 CB GLN A 23 0.750 -9.954 -7.188 1.00 0.49 C ATOM 354 CG GLN A 23 0.851 -11.443 -7.481 1.00 0.96 C ATOM 355 CD GLN A 23 1.752 -12.170 -6.503 1.00 1.44 C ATOM 356 OE1 GLN A 23 2.812 -12.673 -6.874 1.00 2.14 O ATOM 357 NE2 GLN A 23 1.331 -12.233 -5.245 1.00 2.10 N ATOM 0 H GLN A 23 -0.356 -7.889 -7.988 1.00 0.36 H new ATOM 0 HA GLN A 23 -1.346 -10.316 -6.904 1.00 0.39 H new ATOM 0 HB2 GLN A 23 0.999 -9.397 -8.091 1.00 0.49 H new ATOM 0 HB3 GLN A 23 1.493 -9.689 -6.435 1.00 0.49 H new ATOM 0 HG2 GLN A 23 -0.145 -11.884 -7.448 1.00 0.96 H new ATOM 0 HG3 GLN A 23 1.230 -11.585 -8.493 1.00 0.96 H new ATOM 0 HE21 GLN A 23 0.445 -11.802 -4.981 1.00 2.10 H new ATOM 0 HE22 GLN A 23 1.894 -12.713 -4.542 1.00 2.10 H new ATOM 366 N LEU A 24 -0.224 -8.055 -4.808 1.00 0.29 N ATOM 367 CA LEU A 24 -0.152 -7.688 -3.399 1.00 0.30 C ATOM 368 C LEU A 24 -1.548 -7.530 -2.809 1.00 0.30 C ATOM 369 O LEU A 24 -1.803 -7.948 -1.680 1.00 0.31 O ATOM 370 CB LEU A 24 0.632 -6.388 -3.225 1.00 0.38 C ATOM 371 CG LEU A 24 1.246 -6.180 -1.841 1.00 0.43 C ATOM 372 CD1 LEU A 24 2.557 -5.419 -1.949 1.00 1.51 C ATOM 373 CD2 LEU A 24 0.272 -5.438 -0.939 1.00 1.40 C ATOM 0 H LEU A 24 0.033 -7.307 -5.452 1.00 0.29 H new ATOM 0 HA LEU A 24 0.364 -8.489 -2.869 1.00 0.30 H new ATOM 0 HB2 LEU A 24 1.430 -6.361 -3.967 1.00 0.38 H new ATOM 0 HB3 LEU A 24 -0.031 -5.550 -3.440 1.00 0.38 H new ATOM 0 HG LEU A 24 1.452 -7.156 -1.402 1.00 0.43 H new ATOM 0 HD11 LEU A 24 2.980 -5.280 -0.954 1.00 1.51 H new ATOM 0 HD12 LEU A 24 3.256 -5.985 -2.565 1.00 1.51 H new ATOM 0 HD13 LEU A 24 2.376 -4.446 -2.406 1.00 1.51 H new ATOM 0 HD21 LEU A 24 0.722 -5.296 0.044 1.00 1.40 H new ATOM 0 HD22 LEU A 24 0.040 -4.466 -1.375 1.00 1.40 H new ATOM 0 HD23 LEU A 24 -0.645 -6.019 -0.838 1.00 1.40 H new ATOM 385 N CYS A 25 -2.446 -6.927 -3.578 1.00 0.34 N ATOM 386 CA CYS A 25 -3.817 -6.720 -3.127 1.00 0.39 C ATOM 387 C CYS A 25 -4.474 -8.059 -2.825 1.00 0.39 C ATOM 388 O CYS A 25 -5.133 -8.225 -1.798 1.00 0.42 O ATOM 389 CB CYS A 25 -4.619 -5.968 -4.189 1.00 0.47 C ATOM 390 SG CYS A 25 -3.789 -4.499 -4.837 1.00 0.55 S ATOM 0 H CYS A 25 -2.251 -6.573 -4.515 1.00 0.34 H new ATOM 0 HA CYS A 25 -3.799 -6.121 -2.216 1.00 0.39 H new ATOM 0 HB2 CYS A 25 -4.833 -6.646 -5.015 1.00 0.47 H new ATOM 0 HB3 CYS A 25 -5.578 -5.672 -3.763 1.00 0.47 H new ATOM 0 HG CYS A 25 -2.647 -4.839 -5.356 1.00 0.55 H new ATOM 396 N ALA A 26 -4.287 -9.010 -3.732 1.00 0.40 N ATOM 397 CA ALA A 26 -4.838 -10.347 -3.571 1.00 0.45 C ATOM 398 C ALA A 26 -4.278 -11.011 -2.322 1.00 0.42 C ATOM 399 O ALA A 26 -4.989 -11.711 -1.600 1.00 0.46 O ATOM 400 CB ALA A 26 -4.516 -11.189 -4.791 1.00 0.52 C ATOM 0 H ALA A 26 -3.754 -8.877 -4.592 1.00 0.40 H new ATOM 0 HA ALA A 26 -5.920 -10.265 -3.465 1.00 0.45 H new ATOM 0 HB1 ALA A 26 -4.932 -12.189 -4.663 1.00 0.52 H new ATOM 0 HB2 ALA A 26 -4.950 -10.726 -5.677 1.00 0.52 H new ATOM 0 HB3 ALA A 26 -3.435 -11.258 -4.910 1.00 0.52 H new ATOM 406 N HIS A 27 -2.991 -10.786 -2.081 1.00 0.37 N ATOM 407 CA HIS A 27 -2.310 -11.356 -0.929 1.00 0.37 C ATOM 408 C HIS A 27 -2.955 -10.884 0.370 1.00 0.38 C ATOM 409 O HIS A 27 -3.349 -11.692 1.211 1.00 0.44 O ATOM 410 CB HIS A 27 -0.835 -10.958 -0.960 1.00 0.37 C ATOM 411 CG HIS A 27 -0.084 -11.312 0.287 1.00 0.42 C ATOM 412 ND1 HIS A 27 -0.050 -12.588 0.808 1.00 0.62 N ATOM 413 CD2 HIS A 27 0.667 -10.550 1.118 1.00 0.55 C ATOM 414 CE1 HIS A 27 0.688 -12.597 1.903 1.00 0.72 C ATOM 415 NE2 HIS A 27 1.135 -11.373 2.113 1.00 0.68 N ATOM 0 H HIS A 27 -2.396 -10.208 -2.675 1.00 0.37 H new ATOM 0 HA HIS A 27 -2.394 -12.442 -0.974 1.00 0.37 H new ATOM 0 HB2 HIS A 27 -0.356 -11.443 -1.811 1.00 0.37 H new ATOM 0 HB3 HIS A 27 -0.762 -9.883 -1.123 1.00 0.37 H new ATOM 0 HD1 HIS A 27 -0.522 -13.400 0.409 1.00 0.62 H new ATOM 0 HD2 HIS A 27 0.861 -9.492 1.017 1.00 0.55 H new ATOM 0 HE1 HIS A 27 0.891 -13.459 2.521 1.00 0.72 H new ATOM 424 N LEU A 28 -3.055 -9.569 0.521 1.00 0.37 N ATOM 425 CA LEU A 28 -3.646 -8.971 1.711 1.00 0.45 C ATOM 426 C LEU A 28 -5.093 -9.419 1.892 1.00 0.49 C ATOM 427 O LEU A 28 -5.573 -9.556 3.016 1.00 0.51 O ATOM 428 CB LEU A 28 -3.578 -7.445 1.616 1.00 0.51 C ATOM 429 CG LEU A 28 -2.257 -6.815 2.074 1.00 0.56 C ATOM 430 CD1 LEU A 28 -2.103 -6.933 3.582 1.00 1.09 C ATOM 431 CD2 LEU A 28 -1.073 -7.456 1.363 1.00 0.99 C ATOM 0 H LEU A 28 -2.732 -8.893 -0.171 1.00 0.37 H new ATOM 0 HA LEU A 28 -3.077 -9.305 2.579 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -3.760 -7.154 0.581 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -4.387 -7.024 2.213 1.00 0.51 H new ATOM 0 HG LEU A 28 -2.277 -5.757 1.811 1.00 0.56 H new ATOM 0 HD11 LEU A 28 -1.160 -6.480 3.888 1.00 1.09 H new ATOM 0 HD12 LEU A 28 -2.929 -6.418 4.073 1.00 1.09 H new ATOM 0 HD13 LEU A 28 -2.110 -7.985 3.867 1.00 1.09 H new ATOM 0 HD21 LEU A 28 -0.148 -6.992 1.705 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -1.048 -8.522 1.587 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.174 -7.313 0.287 1.00 0.99 H new ATOM 443 N ASP A 29 -5.780 -9.646 0.776 1.00 0.60 N ATOM 444 CA ASP A 29 -7.172 -10.080 0.811 1.00 0.69 C ATOM 445 C ASP A 29 -7.307 -11.422 1.520 1.00 0.57 C ATOM 446 O ASP A 29 -8.311 -11.689 2.181 1.00 0.55 O ATOM 447 CB ASP A 29 -7.732 -10.182 -0.610 1.00 0.94 C ATOM 448 CG ASP A 29 -9.223 -10.453 -0.623 1.00 0.97 C ATOM 449 OD1 ASP A 29 -9.975 -9.663 -0.016 1.00 1.20 O ATOM 450 OD2 ASP A 29 -9.638 -11.456 -1.241 1.00 1.12 O ATOM 0 H ASP A 29 -5.395 -9.537 -0.162 1.00 0.60 H new ATOM 0 HA ASP A 29 -7.743 -9.337 1.368 1.00 0.69 H new ATOM 0 HB2 ASP A 29 -7.529 -9.255 -1.145 1.00 0.94 H new ATOM 0 HB3 ASP A 29 -7.216 -10.979 -1.145 1.00 0.94 H new ATOM 455 N ALA A 30 -6.289 -12.265 1.376 1.00 0.56 N ATOM 456 CA ALA A 30 -6.291 -13.581 2.002 1.00 0.58 C ATOM 457 C ALA A 30 -6.173 -13.468 3.519 1.00 0.46 C ATOM 458 O ALA A 30 -6.824 -14.207 4.258 1.00 0.54 O ATOM 459 CB ALA A 30 -5.159 -14.431 1.445 1.00 0.68 C ATOM 0 H ALA A 30 -5.452 -12.059 0.831 1.00 0.56 H new ATOM 0 HA ALA A 30 -7.241 -14.064 1.773 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -5.172 -15.411 1.921 1.00 0.68 H new ATOM 0 HB2 ALA A 30 -5.288 -14.548 0.369 1.00 0.68 H new ATOM 0 HB3 ALA A 30 -4.205 -13.943 1.645 1.00 0.68 H new ATOM 465 N LEU A 31 -5.339 -12.538 3.975 1.00 0.37 N ATOM 466 CA LEU A 31 -5.134 -12.328 5.404 1.00 0.40 C ATOM 467 C LEU A 31 -6.362 -11.688 6.045 1.00 0.40 C ATOM 468 O LEU A 31 -6.478 -11.637 7.270 1.00 0.45 O ATOM 469 CB LEU A 31 -3.903 -11.451 5.639 1.00 0.45 C ATOM 470 CG LEU A 31 -2.707 -12.171 6.265 1.00 0.64 C ATOM 471 CD1 LEU A 31 -1.408 -11.654 5.670 1.00 1.10 C ATOM 472 CD2 LEU A 31 -2.712 -11.996 7.775 1.00 1.16 C ATOM 0 H LEU A 31 -4.794 -11.918 3.375 1.00 0.37 H new ATOM 0 HA LEU A 31 -4.973 -13.301 5.869 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -3.592 -11.024 4.686 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -4.186 -10.619 6.284 1.00 0.45 H new ATOM 0 HG LEU A 31 -2.787 -13.235 6.044 1.00 0.64 H new ATOM 0 HD11 LEU A 31 -0.566 -12.176 6.125 1.00 1.10 H new ATOM 0 HD12 LEU A 31 -1.405 -11.830 4.594 1.00 1.10 H new ATOM 0 HD13 LEU A 31 -1.320 -10.585 5.863 1.00 1.10 H new ATOM 0 HD21 LEU A 31 -1.855 -12.514 8.204 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -2.654 -10.935 8.019 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -3.631 -12.413 8.187 1.00 1.16 H new ATOM 484 N ASP A 32 -7.275 -11.204 5.207 1.00 0.40 N ATOM 485 CA ASP A 32 -8.501 -10.567 5.682 1.00 0.46 C ATOM 486 C ASP A 32 -8.192 -9.422 6.644 1.00 0.46 C ATOM 487 O ASP A 32 -8.938 -9.178 7.593 1.00 0.57 O ATOM 488 CB ASP A 32 -9.403 -11.596 6.367 1.00 0.52 C ATOM 489 CG ASP A 32 -9.463 -12.908 5.611 1.00 1.20 C ATOM 490 OD1 ASP A 32 -9.634 -12.875 4.374 1.00 1.57 O ATOM 491 OD2 ASP A 32 -9.336 -13.971 6.255 1.00 2.03 O ATOM 0 H ASP A 32 -7.189 -11.241 4.191 1.00 0.40 H new ATOM 0 HA ASP A 32 -9.021 -10.155 4.817 1.00 0.46 H new ATOM 0 HB2 ASP A 32 -9.038 -11.779 7.378 1.00 0.52 H new ATOM 0 HB3 ASP A 32 -10.409 -11.188 6.460 1.00 0.52 H new ATOM 496 N VAL A 33 -7.090 -8.723 6.392 1.00 0.42 N ATOM 497 CA VAL A 33 -6.686 -7.603 7.236 1.00 0.43 C ATOM 498 C VAL A 33 -6.887 -6.273 6.516 1.00 0.42 C ATOM 499 O VAL A 33 -6.254 -5.272 6.855 1.00 0.52 O ATOM 500 CB VAL A 33 -5.212 -7.724 7.666 1.00 0.48 C ATOM 501 CG1 VAL A 33 -5.010 -8.949 8.544 1.00 0.54 C ATOM 502 CG2 VAL A 33 -4.300 -7.777 6.448 1.00 0.50 C ATOM 0 H VAL A 33 -6.461 -8.912 5.611 1.00 0.42 H new ATOM 0 HA VAL A 33 -7.318 -7.633 8.124 1.00 0.43 H new ATOM 0 HB VAL A 33 -4.951 -6.840 8.248 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -3.963 -9.017 8.838 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -5.632 -8.864 9.435 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -5.291 -9.844 7.989 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -3.263 -7.862 6.773 1.00 0.50 H new ATOM 0 HG22 VAL A 33 -4.561 -8.640 5.836 1.00 0.50 H new ATOM 0 HG23 VAL A 33 -4.422 -6.866 5.862 1.00 0.50 H new ATOM 512 N TRP A 34 -7.772 -6.270 5.525 1.00 0.39 N ATOM 513 CA TRP A 34 -8.053 -5.062 4.756 1.00 0.38 C ATOM 514 C TRP A 34 -8.671 -3.981 5.638 1.00 0.33 C ATOM 515 O TRP A 34 -8.390 -2.795 5.470 1.00 0.34 O ATOM 516 CB TRP A 34 -8.982 -5.381 3.583 1.00 0.40 C ATOM 517 CG TRP A 34 -10.299 -5.963 3.999 1.00 0.39 C ATOM 518 CD1 TRP A 34 -10.570 -7.276 4.259 1.00 0.47 C ATOM 519 CD2 TRP A 34 -11.527 -5.254 4.198 1.00 0.37 C ATOM 520 NE1 TRP A 34 -11.892 -7.425 4.607 1.00 0.50 N ATOM 521 CE2 TRP A 34 -12.498 -6.198 4.578 1.00 0.44 C ATOM 522 CE3 TRP A 34 -11.898 -3.910 4.092 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -13.817 -5.840 4.850 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -13.207 -3.557 4.363 1.00 0.45 C ATOM 525 CH2 TRP A 34 -14.152 -4.519 4.740 1.00 0.50 C ATOM 0 H TRP A 34 -8.307 -7.089 5.235 1.00 0.39 H new ATOM 0 HA TRP A 34 -7.108 -4.684 4.366 1.00 0.38 H new ATOM 0 HB2 TRP A 34 -9.161 -4.469 3.014 1.00 0.40 H new ATOM 0 HB3 TRP A 34 -8.481 -6.080 2.914 1.00 0.40 H new ATOM 0 HD1 TRP A 34 -9.851 -8.080 4.200 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -12.347 -8.306 4.847 1.00 0.50 H new ATOM 0 HE3 TRP A 34 -11.175 -3.161 3.804 1.00 0.38 H new ATOM 0 HZ2 TRP A 34 -14.549 -6.580 5.138 1.00 0.50 H new ATOM 0 HZ3 TRP A 34 -13.506 -2.522 4.283 1.00 0.45 H new ATOM 0 HH2 TRP A 34 -15.166 -4.211 4.948 1.00 0.50 H new ATOM 536 N GLN A 35 -9.512 -4.400 6.578 1.00 0.32 N ATOM 537 CA GLN A 35 -10.166 -3.467 7.489 1.00 0.33 C ATOM 538 C GLN A 35 -9.138 -2.747 8.357 1.00 0.32 C ATOM 539 O GLN A 35 -9.325 -1.587 8.726 1.00 0.35 O ATOM 540 CB GLN A 35 -11.174 -4.204 8.374 1.00 0.38 C ATOM 541 CG GLN A 35 -12.404 -3.378 8.715 1.00 1.12 C ATOM 542 CD GLN A 35 -12.988 -3.733 10.068 1.00 1.61 C ATOM 543 OE1 GLN A 35 -12.265 -4.113 10.989 1.00 2.15 O ATOM 544 NE2 GLN A 35 -14.304 -3.611 10.196 1.00 2.32 N ATOM 0 H GLN A 35 -9.757 -5.379 6.729 1.00 0.32 H new ATOM 0 HA GLN A 35 -10.696 -2.725 6.892 1.00 0.33 H new ATOM 0 HB2 GLN A 35 -11.489 -5.117 7.869 1.00 0.38 H new ATOM 0 HB3 GLN A 35 -10.681 -4.505 9.298 1.00 0.38 H new ATOM 0 HG2 GLN A 35 -12.141 -2.320 8.703 1.00 1.12 H new ATOM 0 HG3 GLN A 35 -13.162 -3.527 7.946 1.00 1.12 H new ATOM 0 HE21 GLN A 35 -14.866 -3.292 9.407 1.00 2.32 H new ATOM 0 HE22 GLN A 35 -14.753 -3.836 11.084 1.00 2.32 H new ATOM 553 N GLN A 36 -8.052 -3.444 8.676 1.00 0.33 N ATOM 554 CA GLN A 36 -6.989 -2.873 9.497 1.00 0.38 C ATOM 555 C GLN A 36 -6.204 -1.830 8.716 1.00 0.37 C ATOM 556 O GLN A 36 -5.644 -0.903 9.296 1.00 0.46 O ATOM 557 CB GLN A 36 -6.049 -3.972 9.994 1.00 0.45 C ATOM 558 CG GLN A 36 -6.523 -4.647 11.270 1.00 1.54 C ATOM 559 CD GLN A 36 -6.733 -6.139 11.096 1.00 2.38 C ATOM 560 OE1 GLN A 36 -7.706 -6.507 10.272 1.00 3.29 O flip ATOM 561 NE2 GLN A 36 -6.027 -6.951 11.695 1.00 2.41 N flip ATOM 0 H GLN A 36 -7.885 -4.405 8.379 1.00 0.33 H new ATOM 0 HA GLN A 36 -7.450 -2.387 10.357 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -5.939 -4.725 9.214 1.00 0.45 H new ATOM 0 HB3 GLN A 36 -5.061 -3.544 10.165 1.00 0.45 H new ATOM 0 HG2 GLN A 36 -5.792 -4.476 12.060 1.00 1.54 H new ATOM 0 HG3 GLN A 36 -7.457 -4.188 11.595 1.00 1.54 H new ATOM 0 HE21 GLN A 36 -5.290 -6.623 12.319 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -6.179 -7.951 11.567 1.00 2.41 H new ATOM 570 N LEU A 37 -6.167 -1.987 7.397 1.00 0.37 N ATOM 571 CA LEU A 37 -5.454 -1.049 6.540 1.00 0.40 C ATOM 572 C LEU A 37 -6.113 0.324 6.593 1.00 0.38 C ATOM 573 O LEU A 37 -5.470 1.320 6.924 1.00 0.42 O ATOM 574 CB LEU A 37 -5.421 -1.563 5.098 1.00 0.43 C ATOM 575 CG LEU A 37 -4.167 -2.352 4.721 1.00 0.46 C ATOM 576 CD1 LEU A 37 -4.487 -3.388 3.656 1.00 0.49 C ATOM 577 CD2 LEU A 37 -3.072 -1.411 4.241 1.00 0.65 C ATOM 0 H LEU A 37 -6.621 -2.753 6.900 1.00 0.37 H new ATOM 0 HA LEU A 37 -4.430 -0.960 6.903 1.00 0.40 H new ATOM 0 HB2 LEU A 37 -6.293 -2.196 4.934 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -5.513 -0.712 4.423 1.00 0.43 H new ATOM 0 HG LEU A 37 -3.808 -2.874 5.608 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -3.582 -3.939 3.401 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.238 -4.080 4.036 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -4.870 -2.889 2.766 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.186 -1.988 3.977 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -3.422 -0.862 3.367 1.00 0.65 H new ATOM 0 HD23 LEU A 37 -2.823 -0.708 5.035 1.00 0.65 H new ATOM 589 N ALA A 38 -7.400 0.365 6.259 1.00 0.36 N ATOM 590 CA ALA A 38 -8.161 1.609 6.277 1.00 0.37 C ATOM 591 C ALA A 38 -8.000 2.331 7.612 1.00 0.36 C ATOM 592 O ALA A 38 -7.600 3.495 7.658 1.00 0.41 O ATOM 593 CB ALA A 38 -9.631 1.329 6.000 1.00 0.39 C ATOM 0 H ALA A 38 -7.938 -0.452 5.972 1.00 0.36 H new ATOM 0 HA ALA A 38 -7.771 2.259 5.493 1.00 0.37 H new ATOM 0 HB1 ALA A 38 -10.189 2.265 6.016 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -9.734 0.862 5.021 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -10.024 0.659 6.765 1.00 0.39 H new ATOM 599 N THR A 39 -8.319 1.629 8.696 1.00 0.33 N ATOM 600 CA THR A 39 -8.215 2.191 10.038 1.00 0.36 C ATOM 601 C THR A 39 -6.780 2.597 10.365 1.00 0.37 C ATOM 602 O THR A 39 -6.552 3.569 11.085 1.00 0.40 O ATOM 603 CB THR A 39 -8.707 1.193 11.101 1.00 0.39 C ATOM 604 OG1 THR A 39 -9.939 0.596 10.680 1.00 0.36 O ATOM 605 CG2 THR A 39 -8.905 1.882 12.443 1.00 0.51 C ATOM 0 H THR A 39 -8.653 0.666 8.670 1.00 0.33 H new ATOM 0 HA THR A 39 -8.849 3.078 10.055 1.00 0.36 H new ATOM 0 HB THR A 39 -7.949 0.419 11.217 1.00 0.39 H new ATOM 0 HG1 THR A 39 -9.749 -0.171 10.100 1.00 0.36 H new ATOM 0 HG21 THR A 39 -9.253 1.155 13.177 1.00 0.51 H new ATOM 0 HG22 THR A 39 -7.959 2.309 12.776 1.00 0.51 H new ATOM 0 HG23 THR A 39 -9.645 2.675 12.339 1.00 0.51 H new ATOM 613 N ALA A 40 -5.818 1.842 9.840 1.00 0.38 N ATOM 614 CA ALA A 40 -4.405 2.130 10.080 1.00 0.43 C ATOM 615 C ALA A 40 -4.053 3.560 9.680 1.00 0.42 C ATOM 616 O ALA A 40 -3.221 4.205 10.320 1.00 0.47 O ATOM 617 CB ALA A 40 -3.524 1.146 9.325 1.00 0.47 C ATOM 0 H ALA A 40 -5.989 1.029 9.248 1.00 0.38 H new ATOM 0 HA ALA A 40 -4.223 2.022 11.149 1.00 0.43 H new ATOM 0 HB1 ALA A 40 -2.476 1.376 9.516 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -3.740 0.132 9.661 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -3.724 1.224 8.256 1.00 0.47 H new ATOM 623 N VAL A 41 -4.689 4.049 8.621 1.00 0.38 N ATOM 624 CA VAL A 41 -4.442 5.405 8.144 1.00 0.40 C ATOM 625 C VAL A 41 -5.602 6.330 8.495 1.00 0.41 C ATOM 626 O VAL A 41 -5.632 7.488 8.078 1.00 0.47 O ATOM 627 CB VAL A 41 -4.216 5.435 6.620 1.00 0.42 C ATOM 628 CG1 VAL A 41 -2.889 4.782 6.264 1.00 0.50 C ATOM 629 CG2 VAL A 41 -5.366 4.752 5.894 1.00 0.45 C ATOM 0 H VAL A 41 -5.378 3.528 8.078 1.00 0.38 H new ATOM 0 HA VAL A 41 -3.538 5.755 8.642 1.00 0.40 H new ATOM 0 HB VAL A 41 -4.181 6.476 6.298 1.00 0.42 H new ATOM 0 HG11 VAL A 41 -2.747 4.813 5.184 1.00 0.50 H new ATOM 0 HG12 VAL A 41 -2.076 5.320 6.752 1.00 0.50 H new ATOM 0 HG13 VAL A 41 -2.892 3.745 6.600 1.00 0.50 H new ATOM 0 HG21 VAL A 41 -5.188 4.784 4.819 1.00 0.45 H new ATOM 0 HG22 VAL A 41 -5.437 3.714 6.220 1.00 0.45 H new ATOM 0 HG23 VAL A 41 -6.298 5.268 6.122 1.00 0.45 H new ATOM 639 N LYS A 42 -6.553 5.808 9.266 1.00 0.38 N ATOM 640 CA LYS A 42 -7.720 6.579 9.681 1.00 0.41 C ATOM 641 C LYS A 42 -8.454 7.147 8.470 1.00 0.43 C ATOM 642 O LYS A 42 -8.227 8.291 8.074 1.00 0.53 O ATOM 643 CB LYS A 42 -7.304 7.712 10.623 1.00 0.51 C ATOM 644 CG LYS A 42 -8.421 8.185 11.537 1.00 0.77 C ATOM 645 CD LYS A 42 -8.730 9.657 11.322 1.00 1.05 C ATOM 646 CE LYS A 42 -10.105 9.851 10.703 1.00 1.32 C ATOM 647 NZ LYS A 42 -10.130 11.002 9.758 1.00 2.14 N ATOM 0 H LYS A 42 -6.537 4.850 9.617 1.00 0.38 H new ATOM 0 HA LYS A 42 -8.397 5.910 10.212 1.00 0.41 H new ATOM 0 HB2 LYS A 42 -6.465 7.377 11.232 1.00 0.51 H new ATOM 0 HB3 LYS A 42 -6.950 8.555 10.030 1.00 0.51 H new ATOM 0 HG2 LYS A 42 -9.318 7.593 11.354 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -8.137 8.020 12.576 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -8.681 10.184 12.275 1.00 1.05 H new ATOM 0 HD3 LYS A 42 -7.972 10.099 10.675 1.00 1.05 H new ATOM 0 HE2 LYS A 42 -10.398 8.943 10.177 1.00 1.32 H new ATOM 0 HE3 LYS A 42 -10.839 10.013 11.492 1.00 1.32 H new ATOM 0 HZ1 LYS A 42 -11.084 11.101 9.357 1.00 2.14 H new ATOM 0 HZ2 LYS A 42 -9.875 11.873 10.265 1.00 2.14 H new ATOM 0 HZ3 LYS A 42 -9.448 10.836 8.991 1.00 2.14 H new ATOM 661 N LEU A 43 -9.337 6.341 7.888 1.00 0.41 N ATOM 662 CA LEU A 43 -10.100 6.764 6.719 1.00 0.49 C ATOM 663 C LEU A 43 -11.587 6.861 7.042 1.00 0.49 C ATOM 664 O LEU A 43 -12.049 6.332 8.054 1.00 0.52 O ATOM 665 CB LEU A 43 -9.884 5.788 5.561 1.00 0.56 C ATOM 666 CG LEU A 43 -9.140 6.369 4.359 1.00 0.63 C ATOM 667 CD1 LEU A 43 -8.349 5.283 3.646 1.00 0.78 C ATOM 668 CD2 LEU A 43 -10.116 7.035 3.401 1.00 1.03 C ATOM 0 H LEU A 43 -9.541 5.394 8.206 1.00 0.41 H new ATOM 0 HA LEU A 43 -9.745 7.752 6.426 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -9.329 4.926 5.931 1.00 0.56 H new ATOM 0 HB3 LEU A 43 -10.855 5.423 5.227 1.00 0.56 H new ATOM 0 HG LEU A 43 -8.440 7.124 4.718 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -7.826 5.715 2.793 1.00 0.78 H new ATOM 0 HD12 LEU A 43 -7.624 4.849 4.335 1.00 0.78 H new ATOM 0 HD13 LEU A 43 -9.030 4.506 3.299 1.00 0.78 H new ATOM 0 HD21 LEU A 43 -9.570 7.443 2.551 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -10.839 6.299 3.048 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -10.640 7.840 3.916 1.00 1.03 H new ATOM 680 N TYR A 44 -12.331 7.542 6.177 1.00 0.50 N ATOM 681 CA TYR A 44 -13.766 7.708 6.366 1.00 0.53 C ATOM 682 C TYR A 44 -14.496 6.380 6.153 1.00 0.48 C ATOM 683 O TYR A 44 -14.266 5.699 5.154 1.00 0.48 O ATOM 684 CB TYR A 44 -14.310 8.764 5.401 1.00 0.60 C ATOM 685 CG TYR A 44 -13.862 10.170 5.728 1.00 0.74 C ATOM 686 CD1 TYR A 44 -14.488 10.904 6.729 1.00 0.94 C ATOM 687 CD2 TYR A 44 -12.814 10.765 5.037 1.00 0.91 C ATOM 688 CE1 TYR A 44 -14.083 12.190 7.030 1.00 1.14 C ATOM 689 CE2 TYR A 44 -12.403 12.051 5.333 1.00 1.10 C ATOM 690 CZ TYR A 44 -13.035 12.757 6.332 1.00 1.16 C ATOM 691 OH TYR A 44 -12.633 14.039 6.626 1.00 1.41 O ATOM 0 H TYR A 44 -11.962 7.988 5.337 1.00 0.50 H new ATOM 0 HA TYR A 44 -13.940 8.040 7.390 1.00 0.53 H new ATOM 0 HB2 TYR A 44 -13.992 8.517 4.388 1.00 0.60 H new ATOM 0 HB3 TYR A 44 -15.399 8.727 5.411 1.00 0.60 H new ATOM 0 HD1 TYR A 44 -15.304 10.462 7.280 1.00 0.94 H new ATOM 0 HD2 TYR A 44 -12.312 10.214 4.256 1.00 0.91 H new ATOM 0 HE1 TYR A 44 -14.583 12.749 7.807 1.00 1.14 H new ATOM 0 HE2 TYR A 44 -11.589 12.500 4.783 1.00 1.10 H new ATOM 0 HH TYR A 44 -11.883 14.288 6.046 1.00 1.41 H new ATOM 701 N PRO A 45 -15.387 5.991 7.088 1.00 0.62 N ATOM 702 CA PRO A 45 -16.142 4.736 6.983 1.00 0.65 C ATOM 703 C PRO A 45 -16.954 4.658 5.694 1.00 0.65 C ATOM 704 O PRO A 45 -17.320 3.571 5.246 1.00 0.70 O ATOM 705 CB PRO A 45 -17.071 4.768 8.200 1.00 0.86 C ATOM 706 CG PRO A 45 -16.403 5.690 9.161 1.00 1.32 C ATOM 707 CD PRO A 45 -15.726 6.730 8.319 1.00 0.87 C ATOM 0 HA PRO A 45 -15.484 3.867 6.961 1.00 0.65 H new ATOM 0 HB2 PRO A 45 -18.064 5.128 7.931 1.00 0.86 H new ATOM 0 HB3 PRO A 45 -17.198 3.774 8.628 1.00 0.86 H new ATOM 0 HG2 PRO A 45 -17.128 6.144 9.837 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -15.682 5.156 9.779 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -16.384 7.575 8.114 1.00 0.87 H new ATOM 0 HD3 PRO A 45 -14.837 7.129 8.808 1.00 0.87 H new ATOM 715 N ASP A 46 -17.230 5.817 5.103 1.00 0.67 N ATOM 716 CA ASP A 46 -17.994 5.881 3.861 1.00 0.74 C ATOM 717 C ASP A 46 -17.240 5.193 2.729 1.00 0.69 C ATOM 718 O ASP A 46 -17.846 4.594 1.840 1.00 0.76 O ATOM 719 CB ASP A 46 -18.279 7.337 3.488 1.00 0.89 C ATOM 720 CG ASP A 46 -19.659 7.787 3.929 1.00 1.26 C ATOM 721 OD1 ASP A 46 -19.884 7.895 5.154 1.00 1.77 O ATOM 722 OD2 ASP A 46 -20.513 8.030 3.051 1.00 2.01 O ATOM 0 H ASP A 46 -16.936 6.725 5.464 1.00 0.67 H new ATOM 0 HA ASP A 46 -18.940 5.362 4.015 1.00 0.74 H new ATOM 0 HB2 ASP A 46 -17.527 7.980 3.945 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -18.188 7.457 2.408 1.00 0.89 H new ATOM 727 N GLN A 47 -15.915 5.282 2.772 1.00 0.63 N ATOM 728 CA GLN A 47 -15.072 4.667 1.754 1.00 0.68 C ATOM 729 C GLN A 47 -14.959 3.164 1.985 1.00 0.61 C ATOM 730 O GLN A 47 -14.880 2.385 1.036 1.00 0.65 O ATOM 731 CB GLN A 47 -13.680 5.303 1.766 1.00 0.75 C ATOM 732 CG GLN A 47 -13.702 6.817 1.635 1.00 0.78 C ATOM 733 CD GLN A 47 -13.744 7.280 0.191 1.00 1.21 C ATOM 734 OE1 GLN A 47 -13.726 6.467 -0.734 1.00 1.94 O ATOM 735 NE2 GLN A 47 -13.798 8.592 -0.009 1.00 1.56 N ATOM 0 H GLN A 47 -15.401 5.775 3.502 1.00 0.63 H new ATOM 0 HA GLN A 47 -15.532 4.835 0.780 1.00 0.68 H new ATOM 0 HB2 GLN A 47 -13.175 5.034 2.694 1.00 0.75 H new ATOM 0 HB3 GLN A 47 -13.091 4.884 0.950 1.00 0.75 H new ATOM 0 HG2 GLN A 47 -14.570 7.211 2.164 1.00 0.78 H new ATOM 0 HG3 GLN A 47 -12.818 7.232 2.120 1.00 0.78 H new ATOM 0 HE21 GLN A 47 -13.811 9.229 0.787 1.00 1.56 H new ATOM 0 HE22 GLN A 47 -13.826 8.962 -0.959 1.00 1.56 H new ATOM 744 N VAL A 48 -14.957 2.766 3.253 1.00 0.57 N ATOM 745 CA VAL A 48 -14.856 1.357 3.615 1.00 0.57 C ATOM 746 C VAL A 48 -16.065 0.575 3.111 1.00 0.55 C ATOM 747 O VAL A 48 -15.941 -0.577 2.695 1.00 0.51 O ATOM 748 CB VAL A 48 -14.742 1.176 5.141 1.00 0.61 C ATOM 749 CG1 VAL A 48 -14.386 -0.263 5.484 1.00 0.88 C ATOM 750 CG2 VAL A 48 -13.714 2.137 5.718 1.00 0.75 C ATOM 0 H VAL A 48 -15.024 3.401 4.048 1.00 0.57 H new ATOM 0 HA VAL A 48 -13.952 0.971 3.143 1.00 0.57 H new ATOM 0 HB VAL A 48 -15.710 1.403 5.587 1.00 0.61 H new ATOM 0 HG11 VAL A 48 -14.310 -0.371 6.566 1.00 0.88 H new ATOM 0 HG12 VAL A 48 -15.161 -0.930 5.106 1.00 0.88 H new ATOM 0 HG13 VAL A 48 -13.431 -0.521 5.026 1.00 0.88 H new ATOM 0 HG21 VAL A 48 -13.648 1.994 6.797 1.00 0.75 H new ATOM 0 HG22 VAL A 48 -12.741 1.944 5.266 1.00 0.75 H new ATOM 0 HG23 VAL A 48 -14.015 3.163 5.506 1.00 0.75 H new ATOM 760 N GLU A 49 -17.231 1.210 3.153 1.00 0.60 N ATOM 761 CA GLU A 49 -18.465 0.578 2.701 1.00 0.63 C ATOM 762 C GLU A 49 -18.375 0.191 1.229 1.00 0.57 C ATOM 763 O GLU A 49 -18.732 -0.924 0.847 1.00 0.57 O ATOM 764 CB GLU A 49 -19.652 1.520 2.918 1.00 0.73 C ATOM 765 CG GLU A 49 -20.675 0.995 3.912 1.00 0.87 C ATOM 766 CD GLU A 49 -21.872 1.916 4.057 1.00 1.55 C ATOM 767 OE1 GLU A 49 -22.409 2.357 3.020 1.00 2.44 O ATOM 768 OE2 GLU A 49 -22.271 2.194 5.207 1.00 1.73 O ATOM 0 H GLU A 49 -17.348 2.163 3.496 1.00 0.60 H new ATOM 0 HA GLU A 49 -18.613 -0.329 3.287 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -19.281 2.484 3.267 1.00 0.73 H new ATOM 0 HB3 GLU A 49 -20.145 1.696 1.962 1.00 0.73 H new ATOM 0 HG2 GLU A 49 -21.015 0.010 3.592 1.00 0.87 H new ATOM 0 HG3 GLU A 49 -20.199 0.867 4.884 1.00 0.87 H new ATOM 775 N GLN A 50 -17.897 1.121 0.408 1.00 0.56 N ATOM 776 CA GLN A 50 -17.761 0.882 -1.025 1.00 0.55 C ATOM 777 C GLN A 50 -16.840 -0.301 -1.304 1.00 0.48 C ATOM 778 O GLN A 50 -17.084 -1.083 -2.224 1.00 0.56 O ATOM 779 CB GLN A 50 -17.225 2.133 -1.723 1.00 0.59 C ATOM 780 CG GLN A 50 -17.945 2.461 -3.021 1.00 0.91 C ATOM 781 CD GLN A 50 -17.603 1.494 -4.137 1.00 1.33 C ATOM 782 OE1 GLN A 50 -18.446 0.710 -4.576 1.00 2.12 O ATOM 783 NE2 GLN A 50 -16.360 1.542 -4.602 1.00 1.46 N ATOM 0 H GLN A 50 -17.597 2.048 0.711 1.00 0.56 H new ATOM 0 HA GLN A 50 -18.750 0.646 -1.419 1.00 0.55 H new ATOM 0 HB2 GLN A 50 -17.311 2.982 -1.045 1.00 0.59 H new ATOM 0 HB3 GLN A 50 -16.164 1.997 -1.930 1.00 0.59 H new ATOM 0 HG2 GLN A 50 -19.021 2.446 -2.849 1.00 0.91 H new ATOM 0 HG3 GLN A 50 -17.686 3.474 -3.330 1.00 0.91 H new ATOM 0 HE21 GLN A 50 -15.694 2.207 -4.209 1.00 1.46 H new ATOM 0 HE22 GLN A 50 -16.071 0.914 -5.352 1.00 1.46 H new ATOM 792 N ILE A 51 -15.783 -0.428 -0.509 1.00 0.40 N ATOM 793 CA ILE A 51 -14.827 -1.518 -0.677 1.00 0.38 C ATOM 794 C ILE A 51 -15.486 -2.870 -0.427 1.00 0.41 C ATOM 795 O ILE A 51 -15.559 -3.710 -1.325 1.00 0.47 O ATOM 796 CB ILE A 51 -13.619 -1.364 0.267 1.00 0.35 C ATOM 797 CG1 ILE A 51 -13.018 0.035 0.138 1.00 0.39 C ATOM 798 CG2 ILE A 51 -12.572 -2.425 -0.039 1.00 0.38 C ATOM 799 CD1 ILE A 51 -12.153 0.435 1.315 1.00 0.42 C ATOM 0 H ILE A 51 -15.566 0.209 0.257 1.00 0.40 H new ATOM 0 HA ILE A 51 -14.476 -1.472 -1.708 1.00 0.38 H new ATOM 0 HB ILE A 51 -13.959 -1.499 1.294 1.00 0.35 H new ATOM 0 HG12 ILE A 51 -12.421 0.082 -0.773 1.00 0.39 H new ATOM 0 HG13 ILE A 51 -13.825 0.759 0.028 1.00 0.39 H new ATOM 0 HG21 ILE A 51 -11.724 -2.305 0.635 1.00 0.38 H new ATOM 0 HG22 ILE A 51 -13.007 -3.415 0.098 1.00 0.38 H new ATOM 0 HG23 ILE A 51 -12.234 -2.316 -1.070 1.00 0.38 H new ATOM 0 HD11 ILE A 51 -11.761 1.439 1.154 1.00 0.42 H new ATOM 0 HD12 ILE A 51 -12.750 0.421 2.227 1.00 0.42 H new ATOM 0 HD13 ILE A 51 -11.325 -0.267 1.413 1.00 0.42 H new ATOM 811 N SER A 52 -15.962 -3.074 0.799 1.00 0.43 N ATOM 812 CA SER A 52 -16.617 -4.325 1.169 1.00 0.50 C ATOM 813 C SER A 52 -17.747 -4.661 0.199 1.00 0.52 C ATOM 814 O SER A 52 -18.074 -5.830 -0.008 1.00 0.59 O ATOM 815 CB SER A 52 -17.164 -4.235 2.596 1.00 0.57 C ATOM 816 OG SER A 52 -17.582 -5.506 3.064 1.00 1.42 O ATOM 0 H SER A 52 -15.906 -2.389 1.553 1.00 0.43 H new ATOM 0 HA SER A 52 -15.874 -5.121 1.119 1.00 0.50 H new ATOM 0 HB2 SER A 52 -16.396 -3.835 3.258 1.00 0.57 H new ATOM 0 HB3 SER A 52 -18.003 -3.540 2.624 1.00 0.57 H new ATOM 0 HG SER A 52 -17.926 -5.421 3.978 1.00 1.42 H new ATOM 822 N SER A 53 -18.342 -3.627 -0.391 1.00 0.54 N ATOM 823 CA SER A 53 -19.433 -3.810 -1.342 1.00 0.60 C ATOM 824 C SER A 53 -18.989 -4.671 -2.521 1.00 0.63 C ATOM 825 O SER A 53 -19.486 -5.781 -2.712 1.00 0.70 O ATOM 826 CB SER A 53 -19.932 -2.453 -1.844 1.00 0.68 C ATOM 827 OG SER A 53 -21.224 -2.566 -2.416 1.00 0.93 O ATOM 0 H SER A 53 -18.086 -2.653 -0.226 1.00 0.54 H new ATOM 0 HA SER A 53 -20.247 -4.322 -0.829 1.00 0.60 H new ATOM 0 HB2 SER A 53 -19.957 -1.743 -1.018 1.00 0.68 H new ATOM 0 HB3 SER A 53 -19.236 -2.057 -2.584 1.00 0.68 H new ATOM 0 HG SER A 53 -21.522 -1.686 -2.728 1.00 0.93 H new ATOM 833 N GLN A 54 -18.057 -4.148 -3.312 1.00 0.67 N ATOM 834 CA GLN A 54 -17.543 -4.870 -4.472 1.00 0.80 C ATOM 835 C GLN A 54 -16.862 -6.167 -4.046 1.00 0.81 C ATOM 836 O GLN A 54 -16.910 -7.169 -4.760 1.00 0.97 O ATOM 837 CB GLN A 54 -16.559 -3.995 -5.249 1.00 0.94 C ATOM 838 CG GLN A 54 -17.136 -2.653 -5.672 1.00 1.35 C ATOM 839 CD GLN A 54 -18.030 -2.761 -6.894 1.00 1.75 C ATOM 840 OE1 GLN A 54 -19.215 -2.436 -6.841 1.00 2.48 O ATOM 841 NE2 GLN A 54 -17.461 -3.217 -8.004 1.00 2.07 N ATOM 0 H GLN A 54 -17.642 -3.227 -3.171 1.00 0.67 H new ATOM 0 HA GLN A 54 -18.385 -5.117 -5.118 1.00 0.80 H new ATOM 0 HB2 GLN A 54 -15.676 -3.823 -4.634 1.00 0.94 H new ATOM 0 HB3 GLN A 54 -16.229 -4.535 -6.137 1.00 0.94 H new ATOM 0 HG2 GLN A 54 -17.707 -2.230 -4.845 1.00 1.35 H new ATOM 0 HG3 GLN A 54 -16.320 -1.961 -5.883 1.00 1.35 H new ATOM 0 HE21 GLN A 54 -16.474 -3.475 -8.002 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -18.011 -3.309 -8.858 1.00 2.07 H new ATOM 850 N LYS A 55 -16.229 -6.139 -2.877 1.00 0.68 N ATOM 851 CA LYS A 55 -15.533 -7.308 -2.348 1.00 0.73 C ATOM 852 C LYS A 55 -16.491 -8.481 -2.167 1.00 0.86 C ATOM 853 O LYS A 55 -16.072 -9.638 -2.125 1.00 1.12 O ATOM 854 CB LYS A 55 -14.871 -6.967 -1.012 1.00 0.65 C ATOM 855 CG LYS A 55 -13.719 -7.892 -0.643 1.00 0.74 C ATOM 856 CD LYS A 55 -14.019 -8.684 0.622 1.00 0.76 C ATOM 857 CE LYS A 55 -14.061 -7.788 1.850 1.00 1.36 C ATOM 858 NZ LYS A 55 -14.823 -8.415 2.966 1.00 1.77 N ATOM 0 H LYS A 55 -16.184 -5.316 -2.276 1.00 0.68 H new ATOM 0 HA LYS A 55 -14.766 -7.599 -3.066 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -14.503 -5.942 -1.051 1.00 0.65 H new ATOM 0 HB3 LYS A 55 -15.623 -7.006 -0.224 1.00 0.65 H new ATOM 0 HG2 LYS A 55 -13.526 -8.580 -1.466 1.00 0.74 H new ATOM 0 HG3 LYS A 55 -12.812 -7.305 -0.499 1.00 0.74 H new ATOM 0 HD2 LYS A 55 -14.975 -9.196 0.512 1.00 0.76 H new ATOM 0 HD3 LYS A 55 -13.259 -9.453 0.759 1.00 0.76 H new ATOM 0 HE2 LYS A 55 -13.044 -7.574 2.179 1.00 1.36 H new ATOM 0 HE3 LYS A 55 -14.518 -6.834 1.588 1.00 1.36 H new ATOM 0 HZ1 LYS A 55 -14.635 -7.898 3.848 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 -15.841 -8.380 2.754 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 -14.526 -9.406 3.075 1.00 1.77 H new ATOM 872 N GLN A 56 -17.780 -8.172 -2.057 1.00 0.79 N ATOM 873 CA GLN A 56 -18.803 -9.197 -1.877 1.00 0.97 C ATOM 874 C GLN A 56 -18.856 -10.150 -3.070 1.00 1.12 C ATOM 875 O GLN A 56 -19.585 -11.141 -3.045 1.00 1.37 O ATOM 876 CB GLN A 56 -20.172 -8.548 -1.665 1.00 0.96 C ATOM 877 CG GLN A 56 -21.009 -9.227 -0.591 1.00 1.58 C ATOM 878 CD GLN A 56 -21.516 -8.253 0.456 1.00 2.14 C ATOM 879 OE1 GLN A 56 -22.628 -7.737 0.352 1.00 2.41 O ATOM 880 NE2 GLN A 56 -20.701 -7.998 1.472 1.00 3.02 N ATOM 0 H GLN A 56 -18.141 -7.219 -2.089 1.00 0.79 H new ATOM 0 HA GLN A 56 -18.539 -9.778 -0.993 1.00 0.97 H new ATOM 0 HB2 GLN A 56 -20.031 -7.501 -1.396 1.00 0.96 H new ATOM 0 HB3 GLN A 56 -20.722 -8.564 -2.606 1.00 0.96 H new ATOM 0 HG2 GLN A 56 -21.858 -9.726 -1.059 1.00 1.58 H new ATOM 0 HG3 GLN A 56 -20.413 -9.999 -0.105 1.00 1.58 H new ATOM 0 HE21 GLN A 56 -19.787 -8.449 1.518 1.00 3.02 H new ATOM 0 HE22 GLN A 56 -20.989 -7.351 2.207 1.00 3.02 H new ATOM 889 N ARG A 57 -18.085 -9.850 -4.114 1.00 1.15 N ATOM 890 CA ARG A 57 -18.063 -10.694 -5.307 1.00 1.46 C ATOM 891 C ARG A 57 -16.697 -10.666 -5.992 1.00 1.58 C ATOM 892 O ARG A 57 -16.549 -10.092 -7.073 1.00 1.74 O ATOM 893 CB ARG A 57 -19.148 -10.244 -6.289 1.00 1.66 C ATOM 894 CG ARG A 57 -19.320 -8.736 -6.360 1.00 1.38 C ATOM 895 CD ARG A 57 -19.598 -8.271 -7.781 1.00 1.67 C ATOM 896 NE ARG A 57 -20.752 -7.378 -7.847 1.00 1.89 N ATOM 897 CZ ARG A 57 -22.014 -7.795 -7.790 1.00 2.38 C ATOM 898 NH1 ARG A 57 -22.282 -9.088 -7.666 1.00 2.83 N ATOM 899 NH2 ARG A 57 -23.008 -6.920 -7.856 1.00 2.99 N ATOM 0 H ARG A 57 -17.472 -9.036 -4.158 1.00 1.15 H new ATOM 0 HA ARG A 57 -18.259 -11.719 -4.992 1.00 1.46 H new ATOM 0 HB2 ARG A 57 -18.905 -10.620 -7.283 1.00 1.66 H new ATOM 0 HB3 ARG A 57 -20.097 -10.696 -6.000 1.00 1.66 H new ATOM 0 HG2 ARG A 57 -20.140 -8.432 -5.710 1.00 1.38 H new ATOM 0 HG3 ARG A 57 -18.420 -8.248 -5.987 1.00 1.38 H new ATOM 0 HD2 ARG A 57 -18.720 -7.758 -8.173 1.00 1.67 H new ATOM 0 HD3 ARG A 57 -19.773 -9.138 -8.419 1.00 1.67 H new ATOM 0 HE ARG A 57 -20.580 -6.377 -7.942 1.00 1.89 H new ATOM 0 HH11 ARG A 57 -21.520 -9.764 -7.614 1.00 2.83 H new ATOM 0 HH12 ARG A 57 -23.250 -9.406 -7.622 1.00 2.83 H new ATOM 0 HH21 ARG A 57 -22.806 -5.925 -7.951 1.00 2.99 H new ATOM 0 HH22 ARG A 57 -23.975 -7.242 -7.812 1.00 2.99 H new ATOM 913 N GLY A 58 -15.710 -11.300 -5.360 1.00 1.74 N ATOM 914 CA GLY A 58 -14.366 -11.362 -5.917 1.00 2.05 C ATOM 915 C GLY A 58 -13.903 -10.047 -6.516 1.00 1.56 C ATOM 916 O GLY A 58 -13.960 -9.857 -7.731 1.00 1.61 O ATOM 0 H GLY A 58 -15.819 -11.776 -4.464 1.00 1.74 H new ATOM 0 HA2 GLY A 58 -13.669 -11.662 -5.134 1.00 2.05 H new ATOM 0 HA3 GLY A 58 -14.334 -12.134 -6.685 1.00 2.05 H new ATOM 920 N ARG A 59 -13.438 -9.141 -5.664 1.00 1.40 N ATOM 921 CA ARG A 59 -12.959 -7.841 -6.122 1.00 1.48 C ATOM 922 C ARG A 59 -11.717 -7.408 -5.350 1.00 1.02 C ATOM 923 O ARG A 59 -11.086 -6.408 -5.689 1.00 1.47 O ATOM 924 CB ARG A 59 -14.057 -6.788 -5.976 1.00 2.32 C ATOM 925 CG ARG A 59 -14.993 -6.716 -7.170 1.00 3.01 C ATOM 926 CD ARG A 59 -14.536 -5.670 -8.174 1.00 3.79 C ATOM 927 NE ARG A 59 -13.485 -6.175 -9.054 1.00 4.29 N ATOM 928 CZ ARG A 59 -12.660 -5.390 -9.740 1.00 4.87 C ATOM 929 NH1 ARG A 59 -12.752 -4.071 -9.635 1.00 5.10 N ATOM 930 NH2 ARG A 59 -11.736 -5.924 -10.530 1.00 5.55 N ATOM 0 H ARG A 59 -13.382 -9.281 -4.655 1.00 1.40 H new ATOM 0 HA ARG A 59 -12.692 -7.935 -7.175 1.00 1.48 H new ATOM 0 HB2 ARG A 59 -14.640 -7.005 -5.081 1.00 2.32 H new ATOM 0 HB3 ARG A 59 -13.595 -5.812 -5.827 1.00 2.32 H new ATOM 0 HG2 ARG A 59 -15.041 -7.691 -7.655 1.00 3.01 H new ATOM 0 HG3 ARG A 59 -16.001 -6.479 -6.830 1.00 3.01 H new ATOM 0 HD2 ARG A 59 -15.387 -5.348 -8.774 1.00 3.79 H new ATOM 0 HD3 ARG A 59 -14.171 -4.792 -7.641 1.00 3.79 H new ATOM 0 HE ARG A 59 -13.378 -7.185 -9.147 1.00 4.29 H new ATOM 0 HH11 ARG A 59 -13.457 -3.656 -9.026 1.00 5.10 H new ATOM 0 HH12 ARG A 59 -12.117 -3.472 -10.163 1.00 5.10 H new ATOM 0 HH21 ARG A 59 -11.658 -6.938 -10.611 1.00 5.55 H new ATOM 0 HH22 ARG A 59 -11.104 -5.320 -11.056 1.00 5.55 H new ATOM 944 N SER A 60 -11.373 -8.172 -4.315 1.00 0.87 N ATOM 945 CA SER A 60 -10.207 -7.872 -3.486 1.00 0.54 C ATOM 946 C SER A 60 -10.344 -6.501 -2.832 1.00 0.42 C ATOM 947 O SER A 60 -10.220 -5.469 -3.490 1.00 0.40 O ATOM 948 CB SER A 60 -8.926 -7.932 -4.322 1.00 0.77 C ATOM 949 OG SER A 60 -8.996 -8.963 -5.291 1.00 1.51 O ATOM 0 H SER A 60 -11.887 -9.006 -4.030 1.00 0.87 H new ATOM 0 HA SER A 60 -10.149 -8.624 -2.699 1.00 0.54 H new ATOM 0 HB2 SER A 60 -8.766 -6.974 -4.817 1.00 0.77 H new ATOM 0 HB3 SER A 60 -8.070 -8.100 -3.669 1.00 0.77 H new ATOM 0 HG SER A 60 -8.166 -8.979 -5.812 1.00 1.51 H new ATOM 955 N ALA A 61 -10.595 -6.499 -1.527 1.00 0.38 N ATOM 956 CA ALA A 61 -10.756 -5.259 -0.777 1.00 0.33 C ATOM 957 C ALA A 61 -9.499 -4.397 -0.845 1.00 0.29 C ATOM 958 O ALA A 61 -9.582 -3.171 -0.923 1.00 0.27 O ATOM 959 CB ALA A 61 -11.110 -5.563 0.670 1.00 0.39 C ATOM 0 H ALA A 61 -10.692 -7.345 -0.966 1.00 0.38 H new ATOM 0 HA ALA A 61 -11.570 -4.696 -1.233 1.00 0.33 H new ATOM 0 HB1 ALA A 61 -11.228 -4.629 1.220 1.00 0.39 H new ATOM 0 HB2 ALA A 61 -12.043 -6.125 0.706 1.00 0.39 H new ATOM 0 HB3 ALA A 61 -10.313 -6.153 1.123 1.00 0.39 H new ATOM 965 N SER A 62 -8.339 -5.043 -0.811 1.00 0.33 N ATOM 966 CA SER A 62 -7.065 -4.335 -0.865 1.00 0.34 C ATOM 967 C SER A 62 -6.890 -3.624 -2.203 1.00 0.31 C ATOM 968 O SER A 62 -6.339 -2.525 -2.265 1.00 0.31 O ATOM 969 CB SER A 62 -5.909 -5.308 -0.635 1.00 0.42 C ATOM 970 OG SER A 62 -6.212 -6.224 0.403 1.00 0.66 O ATOM 0 H SER A 62 -8.254 -6.057 -0.746 1.00 0.33 H new ATOM 0 HA SER A 62 -7.062 -3.584 -0.075 1.00 0.34 H new ATOM 0 HB2 SER A 62 -5.700 -5.853 -1.555 1.00 0.42 H new ATOM 0 HB3 SER A 62 -5.006 -4.752 -0.382 1.00 0.42 H new ATOM 0 HG SER A 62 -5.999 -7.134 0.109 1.00 0.66 H new ATOM 976 N ASN A 63 -7.358 -4.262 -3.272 1.00 0.32 N ATOM 977 CA ASN A 63 -7.254 -3.692 -4.610 1.00 0.32 C ATOM 978 C ASN A 63 -8.012 -2.372 -4.698 1.00 0.31 C ATOM 979 O ASN A 63 -7.454 -1.351 -5.100 1.00 0.33 O ATOM 980 CB ASN A 63 -7.787 -4.680 -5.651 1.00 0.35 C ATOM 981 CG ASN A 63 -8.239 -3.995 -6.926 1.00 0.92 C ATOM 982 OD1 ASN A 63 -9.417 -3.676 -7.089 1.00 1.40 O ATOM 983 ND2 ASN A 63 -7.302 -3.767 -7.839 1.00 1.79 N ATOM 0 H ASN A 63 -7.813 -5.174 -3.237 1.00 0.32 H new ATOM 0 HA ASN A 63 -6.202 -3.496 -4.817 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -7.010 -5.406 -5.889 1.00 0.35 H new ATOM 0 HB3 ASN A 63 -8.623 -5.235 -5.225 1.00 0.35 H new ATOM 0 HD21 ASN A 63 -7.547 -3.310 -8.718 1.00 1.79 H new ATOM 0 HD22 ASN A 63 -6.338 -4.048 -7.662 1.00 1.79 H new ATOM 990 N GLU A 64 -9.286 -2.401 -4.321 1.00 0.31 N ATOM 991 CA GLU A 64 -10.118 -1.203 -4.352 1.00 0.33 C ATOM 992 C GLU A 64 -9.598 -0.164 -3.366 1.00 0.31 C ATOM 993 O GLU A 64 -9.634 1.036 -3.636 1.00 0.34 O ATOM 994 CB GLU A 64 -11.569 -1.557 -4.024 1.00 0.37 C ATOM 995 CG GLU A 64 -12.544 -0.416 -4.269 1.00 0.87 C ATOM 996 CD GLU A 64 -13.306 -0.569 -5.569 1.00 1.10 C ATOM 997 OE1 GLU A 64 -13.757 -1.695 -5.865 1.00 1.72 O ATOM 998 OE2 GLU A 64 -13.453 0.439 -6.293 1.00 1.66 O ATOM 0 H GLU A 64 -9.764 -3.239 -3.991 1.00 0.31 H new ATOM 0 HA GLU A 64 -10.076 -0.781 -5.356 1.00 0.33 H new ATOM 0 HB2 GLU A 64 -11.869 -2.416 -4.624 1.00 0.37 H new ATOM 0 HB3 GLU A 64 -11.633 -1.861 -2.979 1.00 0.37 H new ATOM 0 HG2 GLU A 64 -13.252 -0.364 -3.442 1.00 0.87 H new ATOM 0 HG3 GLU A 64 -11.998 0.527 -4.281 1.00 0.87 H new ATOM 1005 N PHE A 65 -9.115 -0.638 -2.222 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.582 0.243 -1.190 1.00 0.29 C ATOM 1007 C PHE A 65 -7.441 1.092 -1.740 1.00 0.30 C ATOM 1008 O PHE A 65 -7.413 2.308 -1.553 1.00 0.33 O ATOM 1009 CB PHE A 65 -8.095 -0.577 0.008 1.00 0.30 C ATOM 1010 CG PHE A 65 -7.413 0.246 1.064 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -8.135 1.145 1.834 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -6.052 0.119 1.286 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -7.508 1.902 2.806 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -5.421 0.875 2.257 1.00 0.42 C ATOM 1015 CZ PHE A 65 -6.151 1.767 3.017 1.00 0.48 C ATOM 0 H PHE A 65 -9.082 -1.630 -1.986 1.00 0.29 H new ATOM 0 HA PHE A 65 -9.381 0.908 -0.863 1.00 0.29 H new ATOM 0 HB2 PHE A 65 -8.945 -1.093 0.454 1.00 0.30 H new ATOM 0 HB3 PHE A 65 -7.406 -1.344 -0.344 1.00 0.30 H new ATOM 0 HD1 PHE A 65 -9.197 1.255 1.673 1.00 0.41 H new ATOM 0 HD2 PHE A 65 -5.477 -0.578 0.694 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -8.080 2.599 3.400 1.00 0.50 H new ATOM 0 HE2 PHE A 65 -4.359 0.768 2.421 1.00 0.42 H new ATOM 0 HZ PHE A 65 -5.660 2.359 3.776 1.00 0.48 H new ATOM 1025 N LEU A 66 -6.500 0.441 -2.418 1.00 0.32 N ATOM 1026 CA LEU A 66 -5.354 1.135 -2.996 1.00 0.35 C ATOM 1027 C LEU A 66 -5.797 2.119 -4.076 1.00 0.37 C ATOM 1028 O LEU A 66 -5.222 3.196 -4.221 1.00 0.42 O ATOM 1029 CB LEU A 66 -4.364 0.128 -3.589 1.00 0.39 C ATOM 1030 CG LEU A 66 -3.175 -0.232 -2.690 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -2.337 1.001 -2.386 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -3.655 -0.885 -1.402 1.00 0.61 C ATOM 0 H LEU A 66 -6.509 -0.566 -2.580 1.00 0.32 H new ATOM 0 HA LEU A 66 -4.864 1.693 -2.198 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -4.904 -0.787 -3.832 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -3.980 0.530 -4.527 1.00 0.39 H new ATOM 0 HG LEU A 66 -2.548 -0.947 -3.224 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -1.499 0.723 -1.747 1.00 0.65 H new ATOM 0 HD12 LEU A 66 -1.959 1.423 -3.317 1.00 0.65 H new ATOM 0 HD13 LEU A 66 -2.952 1.742 -1.876 1.00 0.65 H new ATOM 0 HD21 LEU A 66 -2.796 -1.133 -0.778 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -4.307 -0.195 -0.865 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -4.206 -1.795 -1.639 1.00 0.61 H new ATOM 1044 N ASN A 67 -6.821 1.737 -4.832 1.00 0.37 N ATOM 1045 CA ASN A 67 -7.339 2.583 -5.902 1.00 0.42 C ATOM 1046 C ASN A 67 -7.894 3.897 -5.355 1.00 0.41 C ATOM 1047 O ASN A 67 -7.999 4.884 -6.082 1.00 0.66 O ATOM 1048 CB ASN A 67 -8.426 1.843 -6.681 1.00 0.47 C ATOM 1049 CG ASN A 67 -7.881 1.139 -7.909 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -7.340 1.775 -8.814 1.00 1.10 O ATOM 1051 ND2 ASN A 67 -8.020 -0.181 -7.947 1.00 1.48 N ATOM 0 H ASN A 67 -7.309 0.848 -4.724 1.00 0.37 H new ATOM 0 HA ASN A 67 -6.511 2.818 -6.571 1.00 0.42 H new ATOM 0 HB2 ASN A 67 -8.903 1.112 -6.028 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -9.198 2.551 -6.984 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -7.672 -0.708 -8.748 1.00 1.48 H new ATOM 0 HD22 ASN A 67 -8.475 -0.668 -7.175 1.00 1.48 H new ATOM 1058 N ILE A 68 -8.245 3.903 -4.072 1.00 0.33 N ATOM 1059 CA ILE A 68 -8.795 5.097 -3.436 1.00 0.35 C ATOM 1060 C ILE A 68 -7.718 5.873 -2.683 1.00 0.35 C ATOM 1061 O ILE A 68 -7.539 7.072 -2.899 1.00 0.41 O ATOM 1062 CB ILE A 68 -9.934 4.740 -2.459 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -10.985 3.879 -3.162 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -10.569 6.005 -1.898 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -11.798 3.021 -2.216 1.00 0.52 C ATOM 0 H ILE A 68 -8.159 3.097 -3.453 1.00 0.33 H new ATOM 0 HA ILE A 68 -9.193 5.722 -4.235 1.00 0.35 H new ATOM 0 HB ILE A 68 -9.516 4.169 -1.630 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -11.659 4.528 -3.721 1.00 0.43 H new ATOM 0 HG13 ILE A 68 -10.488 3.235 -3.888 1.00 0.43 H new ATOM 0 HG21 ILE A 68 -11.371 5.736 -1.210 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -9.815 6.586 -1.366 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -10.976 6.601 -2.715 1.00 0.46 H new ATOM 0 HD11 ILE A 68 -12.523 2.438 -2.785 1.00 0.52 H new ATOM 0 HD12 ILE A 68 -11.134 2.346 -1.675 1.00 0.52 H new ATOM 0 HD13 ILE A 68 -12.323 3.660 -1.506 1.00 0.52 H new ATOM 1077 N TRP A 69 -7.006 5.185 -1.798 1.00 0.35 N ATOM 1078 CA TRP A 69 -5.949 5.811 -1.012 1.00 0.38 C ATOM 1079 C TRP A 69 -4.744 6.135 -1.888 1.00 0.45 C ATOM 1080 O TRP A 69 -4.279 7.275 -1.925 1.00 0.62 O ATOM 1081 CB TRP A 69 -5.528 4.890 0.136 1.00 0.42 C ATOM 1082 CG TRP A 69 -4.477 5.485 1.022 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -4.601 6.592 1.811 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -3.141 5.003 1.211 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.423 6.829 2.479 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -2.512 5.868 2.127 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -2.417 3.926 0.694 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.193 5.685 2.536 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -1.108 3.747 1.101 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -0.509 4.623 2.015 1.00 0.63 C ATOM 0 H TRP A 69 -7.142 4.192 -1.606 1.00 0.35 H new ATOM 0 HA TRP A 69 -6.337 6.742 -0.598 1.00 0.38 H new ATOM 0 HB2 TRP A 69 -6.404 4.647 0.737 1.00 0.42 H new ATOM 0 HB3 TRP A 69 -5.156 3.953 -0.278 1.00 0.42 H new ATOM 0 HD1 TRP A 69 -5.494 7.194 1.898 1.00 0.45 H new ATOM 0 HE1 TRP A 69 -3.255 7.595 3.131 1.00 0.48 H new ATOM 0 HE3 TRP A 69 -2.872 3.246 -0.011 1.00 0.55 H new ATOM 0 HZ2 TRP A 69 -0.727 6.359 3.240 1.00 0.57 H new ATOM 0 HZ3 TRP A 69 -0.538 2.918 0.708 1.00 0.62 H new ATOM 0 HH2 TRP A 69 0.515 4.456 2.314 1.00 0.63 H new ATOM 1101 N GLY A 70 -4.241 5.125 -2.590 1.00 0.59 N ATOM 1102 CA GLY A 70 -3.097 5.322 -3.458 1.00 0.74 C ATOM 1103 C GLY A 70 -3.500 5.740 -4.858 1.00 0.86 C ATOM 1104 O GLY A 70 -3.736 4.896 -5.722 1.00 1.08 O ATOM 0 H GLY A 70 -4.606 4.173 -2.573 1.00 0.59 H new ATOM 0 HA2 GLY A 70 -2.445 6.082 -3.028 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -2.520 4.399 -3.509 1.00 0.74 H new ATOM 1108 N GLY A 71 -3.577 7.048 -5.082 1.00 0.96 N ATOM 1109 CA GLY A 71 -3.956 7.558 -6.387 1.00 1.16 C ATOM 1110 C GLY A 71 -4.515 8.965 -6.317 1.00 1.26 C ATOM 1111 O GLY A 71 -4.098 9.844 -7.071 1.00 1.54 O ATOM 0 H GLY A 71 -3.383 7.764 -4.382 1.00 0.96 H new ATOM 0 HA2 GLY A 71 -3.087 7.548 -7.045 1.00 1.16 H new ATOM 0 HA3 GLY A 71 -4.700 6.896 -6.831 1.00 1.16 H new ATOM 1115 N GLN A 72 -5.461 9.176 -5.409 1.00 1.15 N ATOM 1116 CA GLN A 72 -6.080 10.487 -5.237 1.00 1.31 C ATOM 1117 C GLN A 72 -5.261 11.348 -4.282 1.00 1.31 C ATOM 1118 O GLN A 72 -4.980 12.512 -4.565 1.00 1.64 O ATOM 1119 CB GLN A 72 -7.509 10.334 -4.714 1.00 1.35 C ATOM 1120 CG GLN A 72 -8.265 9.174 -5.341 1.00 1.21 C ATOM 1121 CD GLN A 72 -9.763 9.399 -5.368 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -10.253 10.321 -6.021 1.00 1.84 O ATOM 1123 NE2 GLN A 72 -10.501 8.553 -4.658 1.00 1.99 N ATOM 0 H GLN A 72 -5.817 8.456 -4.780 1.00 1.15 H new ATOM 0 HA GLN A 72 -6.111 10.982 -6.208 1.00 1.31 H new ATOM 0 HB2 GLN A 72 -7.479 10.195 -3.633 1.00 1.35 H new ATOM 0 HB3 GLN A 72 -8.057 11.258 -4.902 1.00 1.35 H new ATOM 0 HG2 GLN A 72 -7.906 9.020 -6.359 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -8.049 8.262 -4.785 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -10.053 7.803 -4.132 1.00 1.99 H new ATOM 0 HE22 GLN A 72 -11.516 8.653 -4.639 1.00 1.99 H new ATOM 1132 N TYR A 73 -4.881 10.766 -3.149 1.00 1.08 N ATOM 1133 CA TYR A 73 -4.088 11.475 -2.152 1.00 1.16 C ATOM 1134 C TYR A 73 -2.670 11.708 -2.661 1.00 1.24 C ATOM 1135 O TYR A 73 -1.957 12.580 -2.165 1.00 1.49 O ATOM 1136 CB TYR A 73 -4.049 10.686 -0.843 1.00 1.13 C ATOM 1137 CG TYR A 73 -5.364 10.679 -0.097 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -5.822 11.818 0.554 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -6.147 9.533 -0.041 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -7.022 11.816 1.238 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -7.350 9.522 0.641 1.00 0.97 C ATOM 1142 CZ TYR A 73 -7.783 10.665 1.279 1.00 1.27 C ATOM 1143 OH TYR A 73 -8.979 10.658 1.958 1.00 1.38 O ATOM 0 H TYR A 73 -5.110 9.804 -2.899 1.00 1.08 H new ATOM 0 HA TYR A 73 -4.557 12.442 -1.968 1.00 1.16 H new ATOM 0 HB2 TYR A 73 -3.758 9.658 -1.058 1.00 1.13 H new ATOM 0 HB3 TYR A 73 -3.278 11.108 -0.198 1.00 1.13 H new ATOM 0 HD1 TYR A 73 -5.229 12.720 0.525 1.00 1.46 H new ATOM 0 HD2 TYR A 73 -5.811 8.635 -0.538 1.00 0.90 H new ATOM 0 HE1 TYR A 73 -7.363 12.710 1.738 1.00 1.53 H new ATOM 0 HE2 TYR A 73 -7.947 8.623 0.674 1.00 0.97 H new ATOM 0 HH TYR A 73 -9.390 9.771 1.888 1.00 1.38 H new ATOM 1153 N ASN A 74 -2.271 10.918 -3.655 1.00 1.23 N ATOM 1154 CA ASN A 74 -0.939 11.027 -4.243 1.00 1.34 C ATOM 1155 C ASN A 74 0.144 10.857 -3.182 1.00 0.95 C ATOM 1156 O ASN A 74 1.032 11.699 -3.044 1.00 1.38 O ATOM 1157 CB ASN A 74 -0.779 12.377 -4.949 1.00 1.91 C ATOM 1158 CG ASN A 74 0.433 12.415 -5.858 1.00 2.53 C ATOM 1159 OD1 ASN A 74 0.356 11.704 -6.977 1.00 3.01 O flip ATOM 1160 ND2 ASN A 74 1.427 13.076 -5.558 1.00 3.10 N flip ATOM 0 H ASN A 74 -2.854 10.192 -4.071 1.00 1.23 H new ATOM 0 HA ASN A 74 -0.826 10.228 -4.976 1.00 1.34 H new ATOM 0 HB2 ASN A 74 -1.675 12.586 -5.534 1.00 1.91 H new ATOM 0 HB3 ASN A 74 -0.694 13.166 -4.202 1.00 1.91 H new ATOM 0 HD21 ASN A 74 1.442 13.608 -4.688 1.00 3.10 H new ATOM 0 HD22 ASN A 74 2.235 13.092 -6.180 1.00 3.10 H new ATOM 1167 N HIS A 75 0.064 9.763 -2.433 1.00 0.64 N ATOM 1168 CA HIS A 75 1.034 9.480 -1.387 1.00 0.65 C ATOM 1169 C HIS A 75 2.327 8.930 -1.977 1.00 0.56 C ATOM 1170 O HIS A 75 2.439 8.736 -3.188 1.00 1.01 O ATOM 1171 CB HIS A 75 0.455 8.484 -0.389 1.00 1.06 C ATOM 1172 CG HIS A 75 -0.041 9.117 0.875 1.00 1.69 C ATOM 1173 ND1 HIS A 75 -1.347 9.522 1.053 1.00 2.23 N ATOM 1174 CD2 HIS A 75 0.603 9.412 2.030 1.00 2.43 C ATOM 1175 CE1 HIS A 75 -1.485 10.040 2.260 1.00 2.72 C ATOM 1176 NE2 HIS A 75 -0.317 9.985 2.873 1.00 2.80 N ATOM 0 H HIS A 75 -0.665 9.057 -2.533 1.00 0.64 H new ATOM 0 HA HIS A 75 1.260 10.414 -0.872 1.00 0.65 H new ATOM 0 HB2 HIS A 75 -0.366 7.945 -0.862 1.00 1.06 H new ATOM 0 HB3 HIS A 75 1.218 7.747 -0.140 1.00 1.06 H new ATOM 0 HD2 HIS A 75 1.645 9.230 2.247 1.00 2.43 H new ATOM 0 HE1 HIS A 75 -2.398 10.441 2.675 1.00 2.72 H new ATOM 0 HE2 HIS A 75 -0.129 10.315 3.820 1.00 2.80 H new ATOM 1185 N THR A 76 3.298 8.683 -1.109 1.00 0.64 N ATOM 1186 CA THR A 76 4.590 8.154 -1.532 1.00 0.64 C ATOM 1187 C THR A 76 4.667 6.644 -1.328 1.00 0.51 C ATOM 1188 O THR A 76 3.913 6.075 -0.539 1.00 0.43 O ATOM 1189 CB THR A 76 5.749 8.825 -0.772 1.00 0.89 C ATOM 1190 OG1 THR A 76 5.384 9.031 0.598 1.00 1.17 O ATOM 1191 CG2 THR A 76 6.115 10.156 -1.410 1.00 1.07 C ATOM 0 H THR A 76 3.216 8.841 -0.105 1.00 0.64 H new ATOM 0 HA THR A 76 4.686 8.376 -2.595 1.00 0.64 H new ATOM 0 HB THR A 76 6.616 8.166 -0.821 1.00 0.89 H new ATOM 0 HG1 THR A 76 4.824 8.287 0.903 1.00 1.17 H new ATOM 0 HG21 THR A 76 6.936 10.611 -0.856 1.00 1.07 H new ATOM 0 HG22 THR A 76 6.421 9.992 -2.443 1.00 1.07 H new ATOM 0 HG23 THR A 76 5.251 10.820 -1.389 1.00 1.07 H new ATOM 1199 N VAL A 77 5.586 6.003 -2.045 1.00 0.53 N ATOM 1200 CA VAL A 77 5.771 4.559 -1.942 1.00 0.49 C ATOM 1201 C VAL A 77 6.258 4.168 -0.551 1.00 0.40 C ATOM 1202 O VAL A 77 5.934 3.092 -0.047 1.00 0.39 O ATOM 1203 CB VAL A 77 6.781 4.041 -2.984 1.00 0.61 C ATOM 1204 CG1 VAL A 77 6.596 2.549 -3.214 1.00 1.22 C ATOM 1205 CG2 VAL A 77 6.649 4.808 -4.291 1.00 1.25 C ATOM 0 H VAL A 77 6.215 6.462 -2.704 1.00 0.53 H new ATOM 0 HA VAL A 77 4.799 4.104 -2.132 1.00 0.49 H new ATOM 0 HB VAL A 77 7.786 4.205 -2.595 1.00 0.61 H new ATOM 0 HG11 VAL A 77 7.318 2.202 -3.953 1.00 1.22 H new ATOM 0 HG12 VAL A 77 6.751 2.014 -2.277 1.00 1.22 H new ATOM 0 HG13 VAL A 77 5.586 2.359 -3.577 1.00 1.22 H new ATOM 0 HG21 VAL A 77 7.372 4.426 -5.012 1.00 1.25 H new ATOM 0 HG22 VAL A 77 5.641 4.683 -4.686 1.00 1.25 H new ATOM 0 HG23 VAL A 77 6.840 5.866 -4.113 1.00 1.25 H new ATOM 1215 N GLN A 78 7.041 5.051 0.063 1.00 0.42 N ATOM 1216 CA GLN A 78 7.584 4.805 1.395 1.00 0.42 C ATOM 1217 C GLN A 78 6.469 4.607 2.417 1.00 0.37 C ATOM 1218 O GLN A 78 6.546 3.719 3.267 1.00 0.35 O ATOM 1219 CB GLN A 78 8.484 5.965 1.823 1.00 0.54 C ATOM 1220 CG GLN A 78 9.633 6.228 0.863 1.00 1.05 C ATOM 1221 CD GLN A 78 10.591 7.284 1.378 1.00 1.49 C ATOM 1222 OE1 GLN A 78 11.105 7.183 2.492 1.00 2.24 O ATOM 1223 NE2 GLN A 78 10.836 8.307 0.567 1.00 1.87 N ATOM 0 H GLN A 78 7.314 5.946 -0.343 1.00 0.42 H new ATOM 0 HA GLN A 78 8.175 3.890 1.352 1.00 0.42 H new ATOM 0 HB2 GLN A 78 7.881 6.869 1.911 1.00 0.54 H new ATOM 0 HB3 GLN A 78 8.889 5.754 2.813 1.00 0.54 H new ATOM 0 HG2 GLN A 78 10.178 5.300 0.692 1.00 1.05 H new ATOM 0 HG3 GLN A 78 9.232 6.545 -0.100 1.00 1.05 H new ATOM 0 HE21 GLN A 78 10.388 8.351 -0.348 1.00 1.87 H new ATOM 0 HE22 GLN A 78 11.472 9.049 0.860 1.00 1.87 H new ATOM 1232 N THR A 79 5.437 5.440 2.331 1.00 0.42 N ATOM 1233 CA THR A 79 4.306 5.360 3.249 1.00 0.45 C ATOM 1234 C THR A 79 3.715 3.953 3.275 1.00 0.39 C ATOM 1235 O THR A 79 3.432 3.408 4.342 1.00 0.40 O ATOM 1236 CB THR A 79 3.198 6.359 2.866 1.00 0.56 C ATOM 1237 OG1 THR A 79 3.740 7.401 2.045 1.00 0.65 O ATOM 1238 CG2 THR A 79 2.563 6.965 4.108 1.00 0.71 C ATOM 0 H THR A 79 5.360 6.180 1.633 1.00 0.42 H new ATOM 0 HA THR A 79 4.687 5.611 4.239 1.00 0.45 H new ATOM 0 HB THR A 79 2.430 5.821 2.310 1.00 0.56 H new ATOM 0 HG1 THR A 79 3.470 8.273 2.402 1.00 0.65 H new ATOM 0 HG21 THR A 79 1.784 7.667 3.812 1.00 0.71 H new ATOM 0 HG22 THR A 79 2.126 6.173 4.717 1.00 0.71 H new ATOM 0 HG23 THR A 79 3.324 7.490 4.686 1.00 0.71 H new ATOM 1246 N LEU A 80 3.532 3.373 2.093 1.00 0.35 N ATOM 1247 CA LEU A 80 2.972 2.031 1.974 1.00 0.34 C ATOM 1248 C LEU A 80 3.862 0.996 2.659 1.00 0.32 C ATOM 1249 O LEU A 80 3.368 0.080 3.316 1.00 0.34 O ATOM 1250 CB LEU A 80 2.785 1.666 0.499 1.00 0.37 C ATOM 1251 CG LEU A 80 2.227 0.266 0.237 1.00 0.42 C ATOM 1252 CD1 LEU A 80 0.822 0.135 0.808 1.00 0.47 C ATOM 1253 CD2 LEU A 80 2.226 -0.036 -1.253 1.00 0.50 C ATOM 0 H LEU A 80 3.764 3.812 1.202 1.00 0.35 H new ATOM 0 HA LEU A 80 2.002 2.027 2.472 1.00 0.34 H new ATOM 0 HB2 LEU A 80 2.117 2.397 0.043 1.00 0.37 H new ATOM 0 HB3 LEU A 80 3.747 1.756 -0.005 1.00 0.37 H new ATOM 0 HG LEU A 80 2.870 -0.459 0.736 1.00 0.42 H new ATOM 0 HD11 LEU A 80 0.442 -0.867 0.612 1.00 0.47 H new ATOM 0 HD12 LEU A 80 0.849 0.309 1.884 1.00 0.47 H new ATOM 0 HD13 LEU A 80 0.168 0.870 0.338 1.00 0.47 H new ATOM 0 HD21 LEU A 80 1.826 -1.036 -1.421 1.00 0.50 H new ATOM 0 HD22 LEU A 80 1.606 0.695 -1.772 1.00 0.50 H new ATOM 0 HD23 LEU A 80 3.245 0.016 -1.635 1.00 0.50 H new ATOM 1265 N PHE A 81 5.174 1.147 2.499 1.00 0.33 N ATOM 1266 CA PHE A 81 6.130 0.221 3.101 1.00 0.36 C ATOM 1267 C PHE A 81 6.014 0.216 4.622 1.00 0.37 C ATOM 1268 O PHE A 81 5.759 -0.822 5.232 1.00 0.38 O ATOM 1269 CB PHE A 81 7.556 0.585 2.687 1.00 0.41 C ATOM 1270 CG PHE A 81 8.573 -0.459 3.053 1.00 0.47 C ATOM 1271 CD1 PHE A 81 8.669 -1.635 2.326 1.00 0.59 C ATOM 1272 CD2 PHE A 81 9.431 -0.266 4.123 1.00 0.55 C ATOM 1273 CE1 PHE A 81 9.601 -2.599 2.659 1.00 0.71 C ATOM 1274 CE2 PHE A 81 10.366 -1.226 4.461 1.00 0.67 C ATOM 1275 CZ PHE A 81 10.451 -2.394 3.729 1.00 0.73 C ATOM 0 H PHE A 81 5.599 1.900 1.959 1.00 0.33 H new ATOM 0 HA PHE A 81 5.897 -0.780 2.739 1.00 0.36 H new ATOM 0 HB2 PHE A 81 7.583 0.745 1.609 1.00 0.41 H new ATOM 0 HB3 PHE A 81 7.832 1.529 3.156 1.00 0.41 H new ATOM 0 HD1 PHE A 81 8.007 -1.800 1.489 1.00 0.59 H new ATOM 0 HD2 PHE A 81 9.369 0.645 4.700 1.00 0.55 H new ATOM 0 HE1 PHE A 81 9.665 -3.511 2.084 1.00 0.71 H new ATOM 0 HE2 PHE A 81 11.030 -1.063 5.297 1.00 0.67 H new ATOM 0 HZ PHE A 81 11.180 -3.146 3.992 1.00 0.73 H new ATOM 1285 N ALA A 82 6.205 1.385 5.228 1.00 0.45 N ATOM 1286 CA ALA A 82 6.128 1.518 6.680 1.00 0.52 C ATOM 1287 C ALA A 82 4.750 1.125 7.203 1.00 0.45 C ATOM 1288 O ALA A 82 4.602 0.757 8.368 1.00 0.43 O ATOM 1289 CB ALA A 82 6.463 2.943 7.094 1.00 0.67 C ATOM 0 H ALA A 82 6.414 2.254 4.736 1.00 0.45 H new ATOM 0 HA ALA A 82 6.858 0.838 7.119 1.00 0.52 H new ATOM 0 HB1 ALA A 82 6.402 3.031 8.179 1.00 0.67 H new ATOM 0 HB2 ALA A 82 7.473 3.189 6.766 1.00 0.67 H new ATOM 0 HB3 ALA A 82 5.754 3.632 6.634 1.00 0.67 H new ATOM 1295 N LEU A 83 3.746 1.206 6.336 1.00 0.44 N ATOM 1296 CA LEU A 83 2.380 0.860 6.714 1.00 0.41 C ATOM 1297 C LEU A 83 2.258 -0.631 7.017 1.00 0.36 C ATOM 1298 O LEU A 83 1.655 -1.022 8.017 1.00 0.36 O ATOM 1299 CB LEU A 83 1.408 1.252 5.598 1.00 0.46 C ATOM 1300 CG LEU A 83 -0.075 1.036 5.916 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -0.503 1.896 7.094 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -0.928 1.340 4.695 1.00 1.23 C ATOM 0 H LEU A 83 3.852 1.508 5.368 1.00 0.44 H new ATOM 0 HA LEU A 83 2.126 1.414 7.618 1.00 0.41 H new ATOM 0 HB2 LEU A 83 1.562 2.304 5.358 1.00 0.46 H new ATOM 0 HB3 LEU A 83 1.658 0.681 4.704 1.00 0.46 H new ATOM 0 HG LEU A 83 -0.219 -0.010 6.188 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -1.559 1.727 7.303 1.00 1.08 H new ATOM 0 HD12 LEU A 83 0.087 1.631 7.971 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -0.344 2.947 6.854 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -1.979 1.182 4.937 1.00 1.23 H new ATOM 0 HD22 LEU A 83 -0.777 2.377 4.395 1.00 1.23 H new ATOM 0 HD23 LEU A 83 -0.641 0.680 3.877 1.00 1.23 H new ATOM 1314 N PHE A 84 2.832 -1.458 6.148 1.00 0.37 N ATOM 1315 CA PHE A 84 2.789 -2.906 6.324 1.00 0.39 C ATOM 1316 C PHE A 84 3.417 -3.315 7.652 1.00 0.39 C ATOM 1317 O PHE A 84 2.965 -4.263 8.297 1.00 0.41 O ATOM 1318 CB PHE A 84 3.514 -3.606 5.172 1.00 0.45 C ATOM 1319 CG PHE A 84 2.820 -3.475 3.843 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.450 -3.655 3.747 1.00 0.46 C ATOM 1321 CD2 PHE A 84 3.534 -3.171 2.694 1.00 0.40 C ATOM 1322 CE1 PHE A 84 0.805 -3.533 2.530 1.00 0.46 C ATOM 1323 CE2 PHE A 84 2.895 -3.049 1.476 1.00 0.41 C ATOM 1324 CZ PHE A 84 1.547 -3.239 1.383 1.00 0.42 C ATOM 0 H PHE A 84 3.333 -1.150 5.314 1.00 0.37 H new ATOM 0 HA PHE A 84 1.743 -3.211 6.327 1.00 0.39 H new ATOM 0 HB2 PHE A 84 4.520 -3.196 5.087 1.00 0.45 H new ATOM 0 HB3 PHE A 84 3.620 -4.664 5.412 1.00 0.45 H new ATOM 0 HD1 PHE A 84 0.879 -3.893 4.632 1.00 0.46 H new ATOM 0 HD2 PHE A 84 4.603 -3.028 2.752 1.00 0.40 H new ATOM 0 HE1 PHE A 84 -0.265 -3.664 2.466 1.00 0.46 H new ATOM 0 HE2 PHE A 84 3.465 -2.802 0.593 1.00 0.41 H new ATOM 0 HZ PHE A 84 1.055 -3.162 0.425 1.00 0.42 H new ATOM 1334 N LYS A 85 4.463 -2.596 8.054 1.00 0.43 N ATOM 1335 CA LYS A 85 5.160 -2.883 9.304 1.00 0.47 C ATOM 1336 C LYS A 85 4.191 -2.925 10.482 1.00 0.48 C ATOM 1337 O LYS A 85 4.424 -3.630 11.463 1.00 0.51 O ATOM 1338 CB LYS A 85 6.245 -1.834 9.558 1.00 0.56 C ATOM 1339 CG LYS A 85 7.444 -1.963 8.632 1.00 0.83 C ATOM 1340 CD LYS A 85 8.548 -0.988 9.008 1.00 0.64 C ATOM 1341 CE LYS A 85 9.917 -1.645 8.939 1.00 1.03 C ATOM 1342 NZ LYS A 85 10.844 -1.109 9.973 1.00 1.59 N ATOM 0 H LYS A 85 4.846 -1.809 7.530 1.00 0.43 H new ATOM 0 HA LYS A 85 5.624 -3.865 9.210 1.00 0.47 H new ATOM 0 HB2 LYS A 85 5.812 -0.840 9.442 1.00 0.56 H new ATOM 0 HB3 LYS A 85 6.583 -1.916 10.591 1.00 0.56 H new ATOM 0 HG2 LYS A 85 7.828 -2.982 8.673 1.00 0.83 H new ATOM 0 HG3 LYS A 85 7.132 -1.781 7.604 1.00 0.83 H new ATOM 0 HD2 LYS A 85 8.521 -0.129 8.337 1.00 0.64 H new ATOM 0 HD3 LYS A 85 8.374 -0.611 10.016 1.00 0.64 H new ATOM 0 HE2 LYS A 85 9.810 -2.722 9.071 1.00 1.03 H new ATOM 0 HE3 LYS A 85 10.346 -1.486 7.950 1.00 1.03 H new ATOM 0 HZ1 LYS A 85 11.766 -1.583 9.892 1.00 1.59 H new ATOM 0 HZ2 LYS A 85 10.967 -0.086 9.832 1.00 1.59 H new ATOM 0 HZ3 LYS A 85 10.447 -1.283 10.919 1.00 1.59 H new ATOM 1356 N LYS A 86 3.105 -2.162 10.378 1.00 0.52 N ATOM 1357 CA LYS A 86 2.100 -2.115 11.435 1.00 0.59 C ATOM 1358 C LYS A 86 1.533 -3.505 11.706 1.00 0.61 C ATOM 1359 O LYS A 86 1.393 -3.915 12.859 1.00 0.69 O ATOM 1360 CB LYS A 86 0.969 -1.157 11.052 1.00 0.71 C ATOM 1361 CG LYS A 86 0.329 -0.463 12.244 1.00 1.05 C ATOM 1362 CD LYS A 86 -1.189 -0.523 12.174 1.00 1.31 C ATOM 1363 CE LYS A 86 -1.781 -1.131 13.435 1.00 1.84 C ATOM 1364 NZ LYS A 86 -1.459 -2.580 13.558 1.00 2.31 N ATOM 0 H LYS A 86 2.900 -1.569 9.574 1.00 0.52 H new ATOM 0 HA LYS A 86 2.581 -1.753 12.344 1.00 0.59 H new ATOM 0 HB2 LYS A 86 1.359 -0.402 10.369 1.00 0.71 H new ATOM 0 HB3 LYS A 86 0.203 -1.711 10.510 1.00 0.71 H new ATOM 0 HG2 LYS A 86 0.671 -0.933 13.166 1.00 1.05 H new ATOM 0 HG3 LYS A 86 0.652 0.577 12.277 1.00 1.05 H new ATOM 0 HD2 LYS A 86 -1.588 0.481 12.031 1.00 1.31 H new ATOM 0 HD3 LYS A 86 -1.491 -1.112 11.308 1.00 1.31 H new ATOM 0 HE2 LYS A 86 -1.401 -0.599 14.307 1.00 1.84 H new ATOM 0 HE3 LYS A 86 -2.863 -0.999 13.428 1.00 1.84 H new ATOM 0 HZ1 LYS A 86 -1.652 -2.897 14.529 1.00 2.31 H new ATOM 0 HZ2 LYS A 86 -2.045 -3.124 12.893 1.00 2.31 H new ATOM 0 HZ3 LYS A 86 -0.454 -2.732 13.338 1.00 2.31 H new ATOM 1378 N LEU A 87 1.209 -4.224 10.636 1.00 0.61 N ATOM 1379 CA LEU A 87 0.658 -5.569 10.755 1.00 0.70 C ATOM 1380 C LEU A 87 1.759 -6.622 10.663 1.00 0.63 C ATOM 1381 O LEU A 87 1.482 -7.822 10.670 1.00 0.74 O ATOM 1382 CB LEU A 87 -0.388 -5.812 9.665 1.00 0.80 C ATOM 1383 CG LEU A 87 -1.612 -4.896 9.725 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -2.391 -4.962 8.421 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -2.500 -5.275 10.902 1.00 1.46 C ATOM 0 H LEU A 87 1.319 -3.897 9.676 1.00 0.61 H new ATOM 0 HA LEU A 87 0.183 -5.653 11.732 1.00 0.70 H new ATOM 0 HB2 LEU A 87 0.089 -5.692 8.692 1.00 0.80 H new ATOM 0 HB3 LEU A 87 -0.724 -6.847 9.730 1.00 0.80 H new ATOM 0 HG LEU A 87 -1.272 -3.870 9.867 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -3.258 -4.304 8.482 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -1.751 -4.644 7.598 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -2.723 -5.985 8.247 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -3.367 -4.614 10.931 1.00 1.46 H new ATOM 0 HD22 LEU A 87 -2.834 -6.306 10.789 1.00 1.46 H new ATOM 0 HD23 LEU A 87 -1.936 -5.176 11.830 1.00 1.46 H new ATOM 1397 N LYS A 88 3.005 -6.164 10.576 1.00 0.52 N ATOM 1398 CA LYS A 88 4.152 -7.063 10.482 1.00 0.53 C ATOM 1399 C LYS A 88 4.015 -7.999 9.284 1.00 0.51 C ATOM 1400 O LYS A 88 4.198 -9.212 9.406 1.00 0.56 O ATOM 1401 CB LYS A 88 4.298 -7.878 11.770 1.00 0.69 C ATOM 1402 CG LYS A 88 4.409 -7.022 13.022 1.00 1.16 C ATOM 1403 CD LYS A 88 3.567 -7.582 14.158 1.00 1.45 C ATOM 1404 CE LYS A 88 2.246 -6.841 14.291 1.00 2.05 C ATOM 1405 NZ LYS A 88 1.393 -7.413 15.368 1.00 2.87 N ATOM 0 H LYS A 88 3.247 -5.173 10.569 1.00 0.52 H new ATOM 0 HA LYS A 88 5.046 -6.455 10.344 1.00 0.53 H new ATOM 0 HB2 LYS A 88 3.440 -8.542 11.869 1.00 0.69 H new ATOM 0 HB3 LYS A 88 5.183 -8.510 11.692 1.00 0.69 H new ATOM 0 HG2 LYS A 88 5.452 -6.966 13.334 1.00 1.16 H new ATOM 0 HG3 LYS A 88 4.088 -6.005 12.798 1.00 1.16 H new ATOM 0 HD2 LYS A 88 3.375 -8.641 13.982 1.00 1.45 H new ATOM 0 HD3 LYS A 88 4.122 -7.509 15.093 1.00 1.45 H new ATOM 0 HE2 LYS A 88 2.440 -5.789 14.502 1.00 2.05 H new ATOM 0 HE3 LYS A 88 1.710 -6.883 13.343 1.00 2.05 H new ATOM 0 HZ1 LYS A 88 0.502 -6.879 15.426 1.00 2.87 H new ATOM 0 HZ2 LYS A 88 1.186 -8.410 15.155 1.00 2.87 H new ATOM 0 HZ3 LYS A 88 1.894 -7.350 16.277 1.00 2.87 H new ATOM 1419 N LEU A 89 3.694 -7.429 8.127 1.00 0.47 N ATOM 1420 CA LEU A 89 3.535 -8.213 6.907 1.00 0.46 C ATOM 1421 C LEU A 89 4.858 -8.324 6.156 1.00 0.45 C ATOM 1422 O LEU A 89 5.067 -7.655 5.142 1.00 0.43 O ATOM 1423 CB LEU A 89 2.469 -7.582 6.007 1.00 0.48 C ATOM 1424 CG LEU A 89 1.130 -7.303 6.692 1.00 0.78 C ATOM 1425 CD1 LEU A 89 0.456 -6.089 6.074 1.00 1.25 C ATOM 1426 CD2 LEU A 89 0.224 -8.522 6.604 1.00 1.31 C ATOM 0 H LEU A 89 3.539 -6.428 8.008 1.00 0.47 H new ATOM 0 HA LEU A 89 3.214 -9.217 7.186 1.00 0.46 H new ATOM 0 HB2 LEU A 89 2.859 -6.645 5.609 1.00 0.48 H new ATOM 0 HB3 LEU A 89 2.295 -8.242 5.157 1.00 0.48 H new ATOM 0 HG LEU A 89 1.319 -7.090 7.744 1.00 0.78 H new ATOM 0 HD11 LEU A 89 -0.495 -5.907 6.575 1.00 1.25 H new ATOM 0 HD12 LEU A 89 1.100 -5.217 6.189 1.00 1.25 H new ATOM 0 HD13 LEU A 89 0.279 -6.271 5.014 1.00 1.25 H new ATOM 0 HD21 LEU A 89 -0.724 -8.307 7.096 1.00 1.31 H new ATOM 0 HD22 LEU A 89 0.043 -8.766 5.557 1.00 1.31 H new ATOM 0 HD23 LEU A 89 0.704 -9.368 7.096 1.00 1.31 H new ATOM 1438 N HIS A 90 5.750 -9.170 6.664 1.00 0.55 N ATOM 1439 CA HIS A 90 7.057 -9.376 6.046 1.00 0.64 C ATOM 1440 C HIS A 90 6.915 -9.749 4.572 1.00 0.60 C ATOM 1441 O HIS A 90 7.796 -9.457 3.761 1.00 0.69 O ATOM 1442 CB HIS A 90 7.829 -10.467 6.789 1.00 0.81 C ATOM 1443 CG HIS A 90 8.873 -9.933 7.720 1.00 0.97 C ATOM 1444 ND1 HIS A 90 10.220 -9.940 7.425 1.00 1.62 N ATOM 1445 CD2 HIS A 90 8.761 -9.369 8.946 1.00 0.98 C ATOM 1446 CE1 HIS A 90 10.891 -9.406 8.430 1.00 1.84 C ATOM 1447 NE2 HIS A 90 10.029 -9.051 9.364 1.00 1.38 N ATOM 0 H HIS A 90 5.591 -9.726 7.505 1.00 0.55 H new ATOM 0 HA HIS A 90 7.611 -8.440 6.110 1.00 0.64 H new ATOM 0 HB2 HIS A 90 7.125 -11.076 7.356 1.00 0.81 H new ATOM 0 HB3 HIS A 90 8.305 -11.124 6.061 1.00 0.81 H new ATOM 0 HD2 HIS A 90 7.845 -9.201 9.493 1.00 0.98 H new ATOM 0 HE1 HIS A 90 11.963 -9.281 8.479 1.00 1.84 H new ATOM 0 HE2 HIS A 90 10.267 -8.611 10.253 1.00 1.38 H new ATOM 1456 N ASN A 91 5.805 -10.396 4.234 1.00 0.54 N ATOM 1457 CA ASN A 91 5.547 -10.809 2.860 1.00 0.55 C ATOM 1458 C ASN A 91 5.258 -9.601 1.975 1.00 0.46 C ATOM 1459 O ASN A 91 5.890 -9.415 0.935 1.00 0.45 O ATOM 1460 CB ASN A 91 4.369 -11.783 2.808 1.00 0.63 C ATOM 1461 CG ASN A 91 4.807 -13.233 2.888 1.00 1.13 C ATOM 1462 OD1 ASN A 91 5.977 -13.553 2.673 1.00 1.98 O ATOM 1463 ND2 ASN A 91 3.868 -14.118 3.197 1.00 1.60 N ATOM 0 H ASN A 91 5.069 -10.646 4.894 1.00 0.54 H new ATOM 0 HA ASN A 91 6.440 -11.309 2.485 1.00 0.55 H new ATOM 0 HB2 ASN A 91 3.687 -11.567 3.631 1.00 0.63 H new ATOM 0 HB3 ASN A 91 3.813 -11.626 1.884 1.00 0.63 H new ATOM 0 HD21 ASN A 91 4.103 -15.108 3.265 1.00 1.60 H new ATOM 0 HD22 ASN A 91 2.911 -13.808 3.367 1.00 1.60 H new ATOM 1470 N ALA A 92 4.294 -8.788 2.394 1.00 0.42 N ATOM 1471 CA ALA A 92 3.917 -7.594 1.645 1.00 0.39 C ATOM 1472 C ALA A 92 5.127 -6.706 1.371 1.00 0.36 C ATOM 1473 O ALA A 92 5.210 -6.056 0.328 1.00 0.38 O ATOM 1474 CB ALA A 92 2.851 -6.816 2.403 1.00 0.41 C ATOM 0 H ALA A 92 3.759 -8.934 3.250 1.00 0.42 H new ATOM 0 HA ALA A 92 3.512 -7.911 0.684 1.00 0.39 H new ATOM 0 HB1 ALA A 92 2.577 -5.927 1.835 1.00 0.41 H new ATOM 0 HB2 ALA A 92 1.971 -7.444 2.541 1.00 0.41 H new ATOM 0 HB3 ALA A 92 3.241 -6.519 3.377 1.00 0.41 H new ATOM 1480 N MET A 93 6.061 -6.682 2.317 1.00 0.39 N ATOM 1481 CA MET A 93 7.270 -5.875 2.185 1.00 0.43 C ATOM 1482 C MET A 93 8.083 -6.284 0.959 1.00 0.40 C ATOM 1483 O MET A 93 8.259 -5.497 0.028 1.00 0.39 O ATOM 1484 CB MET A 93 8.129 -5.997 3.444 1.00 0.55 C ATOM 1485 CG MET A 93 7.424 -5.533 4.710 1.00 0.71 C ATOM 1486 SD MET A 93 8.510 -4.601 5.808 1.00 1.06 S ATOM 1487 CE MET A 93 8.949 -5.862 7.002 1.00 1.29 C ATOM 0 H MET A 93 6.004 -7.214 3.186 1.00 0.39 H new ATOM 0 HA MET A 93 6.963 -4.837 2.057 1.00 0.43 H new ATOM 0 HB2 MET A 93 8.432 -7.037 3.567 1.00 0.55 H new ATOM 0 HB3 MET A 93 9.040 -5.413 3.310 1.00 0.55 H new ATOM 0 HG2 MET A 93 6.569 -4.913 4.439 1.00 0.71 H new ATOM 0 HG3 MET A 93 7.033 -6.400 5.242 1.00 0.71 H new ATOM 0 HE1 MET A 93 9.620 -5.438 7.749 1.00 1.29 H new ATOM 0 HE2 MET A 93 8.047 -6.230 7.491 1.00 1.29 H new ATOM 0 HE3 MET A 93 9.448 -6.687 6.493 1.00 1.29 H new ATOM 1497 N ARG A 94 8.579 -7.520 0.968 1.00 0.44 N ATOM 1498 CA ARG A 94 9.387 -8.033 -0.138 1.00 0.45 C ATOM 1499 C ARG A 94 8.631 -7.972 -1.464 1.00 0.44 C ATOM 1500 O ARG A 94 9.232 -8.077 -2.533 1.00 0.49 O ATOM 1501 CB ARG A 94 9.830 -9.470 0.146 1.00 0.55 C ATOM 1502 CG ARG A 94 8.678 -10.423 0.418 1.00 1.28 C ATOM 1503 CD ARG A 94 9.061 -11.862 0.105 1.00 1.44 C ATOM 1504 NE ARG A 94 8.758 -12.762 1.214 1.00 1.97 N ATOM 1505 CZ ARG A 94 9.440 -12.781 2.356 1.00 2.47 C ATOM 1506 NH1 ARG A 94 10.458 -11.950 2.541 1.00 2.58 N ATOM 1507 NH2 ARG A 94 9.103 -13.632 3.316 1.00 3.39 N ATOM 0 H ARG A 94 8.436 -8.185 1.728 1.00 0.44 H new ATOM 0 HA ARG A 94 10.267 -7.396 -0.224 1.00 0.45 H new ATOM 0 HB2 ARG A 94 10.402 -9.839 -0.705 1.00 0.55 H new ATOM 0 HB3 ARG A 94 10.501 -9.471 1.005 1.00 0.55 H new ATOM 0 HG2 ARG A 94 8.378 -10.344 1.463 1.00 1.28 H new ATOM 0 HG3 ARG A 94 7.816 -10.135 -0.184 1.00 1.28 H new ATOM 0 HD2 ARG A 94 8.529 -12.193 -0.787 1.00 1.44 H new ATOM 0 HD3 ARG A 94 10.126 -11.913 -0.122 1.00 1.44 H new ATOM 0 HE ARG A 94 7.980 -13.413 1.107 1.00 1.97 H new ATOM 0 HH11 ARG A 94 10.720 -11.293 1.806 1.00 2.58 H new ATOM 0 HH12 ARG A 94 10.978 -11.968 3.418 1.00 2.58 H new ATOM 0 HH21 ARG A 94 8.321 -14.272 3.179 1.00 3.39 H new ATOM 0 HH22 ARG A 94 9.626 -13.646 4.192 1.00 3.39 H new ATOM 1521 N LEU A 95 7.314 -7.804 -1.391 1.00 0.44 N ATOM 1522 CA LEU A 95 6.490 -7.729 -2.593 1.00 0.47 C ATOM 1523 C LEU A 95 6.732 -6.418 -3.337 1.00 0.46 C ATOM 1524 O LEU A 95 6.799 -6.395 -4.566 1.00 0.52 O ATOM 1525 CB LEU A 95 5.009 -7.862 -2.233 1.00 0.53 C ATOM 1526 CG LEU A 95 4.344 -9.160 -2.696 1.00 0.55 C ATOM 1527 CD1 LEU A 95 3.812 -9.940 -1.504 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.223 -8.863 -3.681 1.00 0.67 C ATOM 0 H LEU A 95 6.796 -7.718 -0.516 1.00 0.44 H new ATOM 0 HA LEU A 95 6.770 -8.554 -3.248 1.00 0.47 H new ATOM 0 HB2 LEU A 95 4.905 -7.785 -1.151 1.00 0.53 H new ATOM 0 HB3 LEU A 95 4.469 -7.020 -2.666 1.00 0.53 H new ATOM 0 HG LEU A 95 5.093 -9.770 -3.201 1.00 0.55 H new ATOM 0 HD11 LEU A 95 3.342 -10.860 -1.852 1.00 0.79 H new ATOM 0 HD12 LEU A 95 4.635 -10.184 -0.832 1.00 0.79 H new ATOM 0 HD13 LEU A 95 3.077 -9.336 -0.973 1.00 0.79 H new ATOM 0 HD21 LEU A 95 2.761 -9.798 -4.000 1.00 0.67 H new ATOM 0 HD22 LEU A 95 2.474 -8.234 -3.201 1.00 0.67 H new ATOM 0 HD23 LEU A 95 3.630 -8.345 -4.549 1.00 0.67 H new ATOM 1540 N ILE A 96 6.861 -5.329 -2.583 1.00 0.43 N ATOM 1541 CA ILE A 96 7.098 -4.014 -3.171 1.00 0.50 C ATOM 1542 C ILE A 96 8.325 -3.348 -2.554 1.00 0.61 C ATOM 1543 O ILE A 96 8.250 -2.224 -2.053 1.00 1.29 O ATOM 1544 CB ILE A 96 5.878 -3.089 -2.995 1.00 0.58 C ATOM 1545 CG1 ILE A 96 5.377 -3.133 -1.550 1.00 0.52 C ATOM 1546 CG2 ILE A 96 4.771 -3.484 -3.959 1.00 0.76 C ATOM 1547 CD1 ILE A 96 5.387 -1.784 -0.866 1.00 0.48 C ATOM 0 H ILE A 96 6.805 -5.332 -1.565 1.00 0.43 H new ATOM 0 HA ILE A 96 7.271 -4.171 -4.236 1.00 0.50 H new ATOM 0 HB ILE A 96 6.182 -2.067 -3.221 1.00 0.58 H new ATOM 0 HG12 ILE A 96 4.362 -3.530 -1.538 1.00 0.52 H new ATOM 0 HG13 ILE A 96 5.997 -3.825 -0.980 1.00 0.52 H new ATOM 0 HG21 ILE A 96 3.916 -2.822 -3.823 1.00 0.76 H new ATOM 0 HG22 ILE A 96 5.134 -3.402 -4.983 1.00 0.76 H new ATOM 0 HG23 ILE A 96 4.468 -4.513 -3.763 1.00 0.76 H new ATOM 0 HD11 ILE A 96 5.019 -1.891 0.155 1.00 0.48 H new ATOM 0 HD12 ILE A 96 6.404 -1.394 -0.846 1.00 0.48 H new ATOM 0 HD13 ILE A 96 4.744 -1.094 -1.413 1.00 0.48 H new ATOM 1559 N LYS A 97 9.456 -4.046 -2.594 1.00 0.66 N ATOM 1560 CA LYS A 97 10.699 -3.524 -2.036 1.00 0.66 C ATOM 1561 C LYS A 97 11.490 -2.751 -3.087 1.00 0.82 C ATOM 1562 O LYS A 97 12.084 -1.713 -2.792 1.00 1.43 O ATOM 1563 CB LYS A 97 11.551 -4.663 -1.475 1.00 0.74 C ATOM 1564 CG LYS A 97 11.579 -5.897 -2.362 1.00 1.33 C ATOM 1565 CD LYS A 97 12.927 -6.597 -2.300 1.00 1.77 C ATOM 1566 CE LYS A 97 12.772 -8.083 -2.021 1.00 2.29 C ATOM 1567 NZ LYS A 97 12.494 -8.856 -3.262 1.00 2.85 N ATOM 0 H LYS A 97 9.537 -4.975 -3.007 1.00 0.66 H new ATOM 0 HA LYS A 97 10.442 -2.840 -1.227 1.00 0.66 H new ATOM 0 HB2 LYS A 97 12.571 -4.306 -1.332 1.00 0.74 H new ATOM 0 HB3 LYS A 97 11.169 -4.941 -0.492 1.00 0.74 H new ATOM 0 HG2 LYS A 97 10.795 -6.587 -2.052 1.00 1.33 H new ATOM 0 HG3 LYS A 97 11.363 -5.611 -3.392 1.00 1.33 H new ATOM 0 HD2 LYS A 97 13.455 -6.456 -3.243 1.00 1.77 H new ATOM 0 HD3 LYS A 97 13.539 -6.142 -1.521 1.00 1.77 H new ATOM 0 HE2 LYS A 97 13.681 -8.461 -1.554 1.00 2.29 H new ATOM 0 HE3 LYS A 97 11.961 -8.236 -1.309 1.00 2.29 H new ATOM 0 HZ1 LYS A 97 12.395 -9.865 -3.028 1.00 2.85 H new ATOM 0 HZ2 LYS A 97 11.613 -8.513 -3.695 1.00 2.85 H new ATOM 0 HZ3 LYS A 97 13.280 -8.731 -3.932 1.00 2.85 H new ATOM 1581 N ASP A 98 11.501 -3.267 -4.311 1.00 0.74 N ATOM 1582 CA ASP A 98 12.218 -2.623 -5.407 1.00 0.85 C ATOM 1583 C ASP A 98 11.559 -1.303 -5.805 1.00 0.73 C ATOM 1584 O ASP A 98 11.994 -0.647 -6.753 1.00 0.84 O ATOM 1585 CB ASP A 98 12.281 -3.556 -6.619 1.00 1.04 C ATOM 1586 CG ASP A 98 13.558 -4.372 -6.655 1.00 1.30 C ATOM 1587 OD1 ASP A 98 13.612 -5.421 -5.979 1.00 1.63 O ATOM 1588 OD2 ASP A 98 14.506 -3.961 -7.358 1.00 1.64 O ATOM 0 H ASP A 98 11.022 -4.129 -4.570 1.00 0.74 H new ATOM 0 HA ASP A 98 13.229 -2.409 -5.061 1.00 0.85 H new ATOM 0 HB2 ASP A 98 11.424 -4.229 -6.601 1.00 1.04 H new ATOM 0 HB3 ASP A 98 12.204 -2.966 -7.532 1.00 1.04 H new ATOM 1593 N TYR A 99 10.511 -0.916 -5.082 1.00 0.60 N ATOM 1594 CA TYR A 99 9.797 0.322 -5.380 1.00 0.64 C ATOM 1595 C TYR A 99 10.050 1.390 -4.322 1.00 0.78 C ATOM 1596 O TYR A 99 9.687 2.551 -4.506 1.00 1.08 O ATOM 1597 CB TYR A 99 8.296 0.054 -5.495 1.00 0.63 C ATOM 1598 CG TYR A 99 7.937 -0.923 -6.592 1.00 0.65 C ATOM 1599 CD1 TYR A 99 7.686 -0.483 -7.886 1.00 0.74 C ATOM 1600 CD2 TYR A 99 7.848 -2.285 -6.332 1.00 0.75 C ATOM 1601 CE1 TYR A 99 7.357 -1.374 -8.891 1.00 0.84 C ATOM 1602 CE2 TYR A 99 7.520 -3.182 -7.331 1.00 0.92 C ATOM 1603 CZ TYR A 99 7.280 -2.716 -8.614 1.00 0.93 C ATOM 1604 OH TYR A 99 6.947 -3.610 -9.605 1.00 1.13 O ATOM 0 H TYR A 99 10.139 -1.439 -4.289 1.00 0.60 H new ATOM 0 HA TYR A 99 10.175 0.695 -6.332 1.00 0.64 H new ATOM 0 HB2 TYR A 99 7.930 -0.331 -4.543 1.00 0.63 H new ATOM 0 HB3 TYR A 99 7.780 0.997 -5.677 1.00 0.63 H new ATOM 0 HD1 TYR A 99 7.749 0.572 -8.110 1.00 0.74 H new ATOM 0 HD2 TYR A 99 8.038 -2.649 -5.333 1.00 0.75 H new ATOM 0 HE1 TYR A 99 7.161 -1.015 -9.891 1.00 0.84 H new ATOM 0 HE2 TYR A 99 7.451 -4.238 -7.114 1.00 0.92 H new ATOM 0 HH TYR A 99 6.939 -4.518 -9.237 1.00 1.13 H new ATOM 1614 N VAL A 100 10.672 0.998 -3.216 1.00 0.68 N ATOM 1615 CA VAL A 100 10.962 1.940 -2.140 1.00 0.84 C ATOM 1616 C VAL A 100 12.408 2.424 -2.211 1.00 1.12 C ATOM 1617 O VAL A 100 13.071 2.275 -3.239 1.00 1.37 O ATOM 1618 CB VAL A 100 10.689 1.334 -0.745 1.00 0.72 C ATOM 1619 CG1 VAL A 100 9.525 2.048 -0.080 1.00 0.99 C ATOM 1620 CG2 VAL A 100 10.418 -0.161 -0.835 1.00 0.84 C ATOM 0 H VAL A 100 10.983 0.043 -3.041 1.00 0.68 H new ATOM 0 HA VAL A 100 10.290 2.787 -2.280 1.00 0.84 H new ATOM 0 HB VAL A 100 11.582 1.474 -0.136 1.00 0.72 H new ATOM 0 HG11 VAL A 100 9.343 1.611 0.902 1.00 0.99 H new ATOM 0 HG12 VAL A 100 9.763 3.106 0.032 1.00 0.99 H new ATOM 0 HG13 VAL A 100 8.632 1.940 -0.696 1.00 0.99 H new ATOM 0 HG21 VAL A 100 10.230 -0.557 0.163 1.00 0.84 H new ATOM 0 HG22 VAL A 100 9.546 -0.335 -1.465 1.00 0.84 H new ATOM 0 HG23 VAL A 100 11.284 -0.662 -1.267 1.00 0.84 H new ATOM 1630 N SER A 101 12.888 3.014 -1.119 1.00 1.24 N ATOM 1631 CA SER A 101 14.253 3.530 -1.052 1.00 1.56 C ATOM 1632 C SER A 101 15.282 2.449 -1.379 1.00 1.20 C ATOM 1633 O SER A 101 14.933 1.323 -1.734 1.00 1.50 O ATOM 1634 CB SER A 101 14.532 4.107 0.337 1.00 2.21 C ATOM 1635 OG SER A 101 15.138 5.386 0.246 1.00 2.53 O ATOM 0 H SER A 101 12.348 3.147 -0.264 1.00 1.24 H new ATOM 0 HA SER A 101 14.344 4.318 -1.799 1.00 1.56 H new ATOM 0 HB2 SER A 101 13.600 4.182 0.897 1.00 2.21 H new ATOM 0 HB3 SER A 101 15.183 3.431 0.891 1.00 2.21 H new ATOM 0 HG SER A 101 15.305 5.734 1.147 1.00 2.53 H new ATOM 1641 N GLU A 102 16.557 2.803 -1.253 1.00 1.32 N ATOM 1642 CA GLU A 102 17.645 1.873 -1.531 1.00 1.81 C ATOM 1643 C GLU A 102 18.086 1.157 -0.258 1.00 1.95 C ATOM 1644 O GLU A 102 18.938 0.269 -0.298 1.00 2.25 O ATOM 1645 CB GLU A 102 18.831 2.616 -2.150 1.00 2.43 C ATOM 1646 CG GLU A 102 19.437 3.666 -1.233 1.00 3.30 C ATOM 1647 CD GLU A 102 20.888 3.961 -1.562 1.00 3.82 C ATOM 1648 OE1 GLU A 102 21.234 3.968 -2.762 1.00 4.07 O ATOM 1649 OE2 GLU A 102 21.677 4.186 -0.620 1.00 4.26 O ATOM 0 H GLU A 102 16.862 3.731 -0.959 1.00 1.32 H new ATOM 0 HA GLU A 102 17.283 1.127 -2.239 1.00 1.81 H new ATOM 0 HB2 GLU A 102 19.601 1.893 -2.420 1.00 2.43 H new ATOM 0 HB3 GLU A 102 18.507 3.096 -3.073 1.00 2.43 H new ATOM 0 HG2 GLU A 102 18.857 4.586 -1.307 1.00 3.30 H new ATOM 0 HG3 GLU A 102 19.364 3.326 -0.200 1.00 3.30 H new ATOM 1656 N ASP A 103 17.501 1.549 0.869 1.00 1.90 N ATOM 1657 CA ASP A 103 17.840 0.952 2.155 1.00 2.17 C ATOM 1658 C ASP A 103 17.442 -0.520 2.204 1.00 1.97 C ATOM 1659 O ASP A 103 17.883 -1.260 3.083 1.00 2.18 O ATOM 1660 CB ASP A 103 17.154 1.716 3.290 1.00 2.39 C ATOM 1661 CG ASP A 103 17.995 2.869 3.801 1.00 2.79 C ATOM 1662 OD1 ASP A 103 19.148 2.627 4.214 1.00 3.15 O ATOM 1663 OD2 ASP A 103 17.499 4.016 3.789 1.00 3.12 O ATOM 0 H ASP A 103 16.789 2.278 0.917 1.00 1.90 H new ATOM 0 HA ASP A 103 18.921 1.016 2.280 1.00 2.17 H new ATOM 0 HB2 ASP A 103 16.194 2.097 2.940 1.00 2.39 H new ATOM 0 HB3 ASP A 103 16.945 1.031 4.111 1.00 2.39 H new ATOM 1668 N LEU A 104 16.606 -0.943 1.258 1.00 1.66 N ATOM 1669 CA LEU A 104 16.162 -2.332 1.205 1.00 1.57 C ATOM 1670 C LEU A 104 17.166 -3.193 0.446 1.00 1.70 C ATOM 1671 O LEU A 104 17.253 -4.399 0.667 1.00 1.91 O ATOM 1672 CB LEU A 104 14.781 -2.444 0.548 1.00 1.43 C ATOM 1673 CG LEU A 104 13.675 -1.559 1.144 1.00 1.27 C ATOM 1674 CD1 LEU A 104 13.853 -1.381 2.646 1.00 1.68 C ATOM 1675 CD2 LEU A 104 13.637 -0.209 0.445 1.00 1.73 C ATOM 0 H LEU A 104 16.225 -0.347 0.523 1.00 1.66 H new ATOM 0 HA LEU A 104 16.090 -2.694 2.231 1.00 1.57 H new ATOM 0 HB2 LEU A 104 14.883 -2.200 -0.509 1.00 1.43 H new ATOM 0 HB3 LEU A 104 14.457 -3.483 0.605 1.00 1.43 H new ATOM 0 HG LEU A 104 12.722 -2.062 0.981 1.00 1.27 H new ATOM 0 HD11 LEU A 104 13.054 -0.750 3.035 1.00 1.68 H new ATOM 0 HD12 LEU A 104 13.817 -2.355 3.135 1.00 1.68 H new ATOM 0 HD13 LEU A 104 14.816 -0.911 2.845 1.00 1.68 H new ATOM 0 HD21 LEU A 104 12.848 0.404 0.880 1.00 1.73 H new ATOM 0 HD22 LEU A 104 14.597 0.293 0.570 1.00 1.73 H new ATOM 0 HD23 LEU A 104 13.439 -0.355 -0.617 1.00 1.73 H new ATOM 1687 N HIS A 105 17.918 -2.568 -0.454 1.00 1.83 N ATOM 1688 CA HIS A 105 18.917 -3.284 -1.243 1.00 2.15 C ATOM 1689 C HIS A 105 20.062 -3.755 -0.354 1.00 2.44 C ATOM 1690 O HIS A 105 21.115 -3.118 -0.291 1.00 2.79 O ATOM 1691 CB HIS A 105 19.453 -2.387 -2.360 1.00 2.42 C ATOM 1692 CG HIS A 105 18.518 -2.248 -3.521 1.00 2.36 C ATOM 1693 ND1 HIS A 105 18.928 -2.355 -4.834 1.00 2.91 N ATOM 1694 CD2 HIS A 105 17.185 -2.010 -3.563 1.00 2.29 C ATOM 1695 CE1 HIS A 105 17.888 -2.187 -5.632 1.00 3.15 C ATOM 1696 NE2 HIS A 105 16.819 -1.977 -4.886 1.00 2.81 N ATOM 0 H HIS A 105 17.856 -1.570 -0.656 1.00 1.83 H new ATOM 0 HA HIS A 105 18.442 -4.157 -1.690 1.00 2.15 H new ATOM 0 HB2 HIS A 105 19.661 -1.398 -1.952 1.00 2.42 H new ATOM 0 HB3 HIS A 105 20.401 -2.791 -2.715 1.00 2.42 H new ATOM 0 HD2 HIS A 105 16.532 -1.872 -2.714 1.00 2.29 H new ATOM 0 HE1 HIS A 105 17.909 -2.216 -6.711 1.00 3.15 H new ATOM 0 HE2 HIS A 105 15.874 -1.816 -5.236 1.00 2.81 H new ATOM 1705 N LYS A 106 19.852 -4.877 0.328 1.00 2.38 N ATOM 1706 CA LYS A 106 20.864 -5.430 1.220 1.00 2.72 C ATOM 1707 C LYS A 106 20.514 -6.856 1.634 1.00 2.73 C ATOM 1708 O LYS A 106 21.378 -7.732 1.669 1.00 3.11 O ATOM 1709 CB LYS A 106 21.004 -4.548 2.463 1.00 2.83 C ATOM 1710 CG LYS A 106 19.674 -4.165 3.095 1.00 2.56 C ATOM 1711 CD LYS A 106 19.489 -4.831 4.449 1.00 2.86 C ATOM 1712 CE LYS A 106 18.607 -3.997 5.363 1.00 3.00 C ATOM 1713 NZ LYS A 106 17.578 -4.826 6.052 1.00 3.43 N ATOM 0 H LYS A 106 18.990 -5.420 0.280 1.00 2.38 H new ATOM 0 HA LYS A 106 21.812 -5.454 0.683 1.00 2.72 H new ATOM 0 HB2 LYS A 106 21.610 -5.071 3.202 1.00 2.83 H new ATOM 0 HB3 LYS A 106 21.543 -3.640 2.194 1.00 2.83 H new ATOM 0 HG2 LYS A 106 19.623 -3.082 3.211 1.00 2.56 H new ATOM 0 HG3 LYS A 106 18.858 -4.453 2.432 1.00 2.56 H new ATOM 0 HD2 LYS A 106 19.045 -5.817 4.313 1.00 2.86 H new ATOM 0 HD3 LYS A 106 20.461 -4.981 4.918 1.00 2.86 H new ATOM 0 HE2 LYS A 106 19.227 -3.496 6.107 1.00 3.00 H new ATOM 0 HE3 LYS A 106 18.115 -3.218 4.781 1.00 3.00 H new ATOM 0 HZ1 LYS A 106 16.997 -4.219 6.666 1.00 3.43 H new ATOM 0 HZ2 LYS A 106 16.970 -5.285 5.343 1.00 3.43 H new ATOM 0 HZ3 LYS A 106 18.047 -5.553 6.628 1.00 3.43 H new ATOM 1727 N TYR A 107 19.242 -7.079 1.948 1.00 2.40 N ATOM 1728 CA TYR A 107 18.775 -8.395 2.368 1.00 2.46 C ATOM 1729 C TYR A 107 18.320 -9.211 1.166 1.00 2.35 C ATOM 1730 O TYR A 107 18.119 -10.422 1.265 1.00 2.42 O ATOM 1731 CB TYR A 107 17.625 -8.256 3.369 1.00 2.46 C ATOM 1732 CG TYR A 107 16.349 -7.728 2.751 1.00 2.20 C ATOM 1733 CD1 TYR A 107 16.127 -6.363 2.631 1.00 2.03 C ATOM 1734 CD2 TYR A 107 15.370 -8.596 2.283 1.00 2.20 C ATOM 1735 CE1 TYR A 107 14.966 -5.876 2.063 1.00 1.88 C ATOM 1736 CE2 TYR A 107 14.207 -8.119 1.713 1.00 2.07 C ATOM 1737 CZ TYR A 107 14.008 -6.758 1.606 1.00 1.92 C ATOM 1738 OH TYR A 107 12.850 -6.277 1.040 1.00 1.91 O ATOM 0 H TYR A 107 18.515 -6.364 1.919 1.00 2.40 H new ATOM 0 HA TYR A 107 19.604 -8.914 2.849 1.00 2.46 H new ATOM 0 HB2 TYR A 107 17.426 -9.228 3.819 1.00 2.46 H new ATOM 0 HB3 TYR A 107 17.933 -7.589 4.174 1.00 2.46 H new ATOM 0 HD1 TYR A 107 16.875 -5.670 2.988 1.00 2.03 H new ATOM 0 HD2 TYR A 107 15.522 -9.662 2.367 1.00 2.20 H new ATOM 0 HE1 TYR A 107 14.809 -4.811 1.977 1.00 1.88 H new ATOM 0 HE2 TYR A 107 13.457 -8.807 1.353 1.00 2.07 H new ATOM 0 HH TYR A 107 12.282 -7.028 0.770 1.00 1.91 H new ATOM 1748 N ILE A 108 18.156 -8.535 0.034 1.00 2.27 N ATOM 1749 CA ILE A 108 17.721 -9.186 -1.193 1.00 2.27 C ATOM 1750 C ILE A 108 18.592 -10.408 -1.497 1.00 2.49 C ATOM 1751 O ILE A 108 19.809 -10.285 -1.646 1.00 2.67 O ATOM 1752 CB ILE A 108 17.757 -8.200 -2.385 1.00 2.29 C ATOM 1753 CG1 ILE A 108 16.432 -7.443 -2.483 1.00 2.08 C ATOM 1754 CG2 ILE A 108 18.051 -8.923 -3.691 1.00 2.59 C ATOM 1755 CD1 ILE A 108 16.468 -6.075 -1.839 1.00 1.86 C ATOM 0 H ILE A 108 18.319 -7.532 -0.058 1.00 2.27 H new ATOM 0 HA ILE A 108 16.693 -9.517 -1.048 1.00 2.27 H new ATOM 0 HB ILE A 108 18.562 -7.486 -2.209 1.00 2.29 H new ATOM 0 HG12 ILE A 108 16.162 -7.334 -3.533 1.00 2.08 H new ATOM 0 HG13 ILE A 108 15.648 -8.037 -2.012 1.00 2.08 H new ATOM 0 HG21 ILE A 108 18.070 -8.203 -4.509 1.00 2.59 H new ATOM 0 HG22 ILE A 108 19.019 -9.419 -3.622 1.00 2.59 H new ATOM 0 HG23 ILE A 108 17.275 -9.665 -3.879 1.00 2.59 H new ATOM 0 HD11 ILE A 108 15.495 -5.596 -1.947 1.00 1.86 H new ATOM 0 HD12 ILE A 108 16.707 -6.177 -0.780 1.00 1.86 H new ATOM 0 HD13 ILE A 108 17.229 -5.464 -2.325 1.00 1.86 H new ATOM 1767 N PRO A 109 17.981 -11.607 -1.589 1.00 2.54 N ATOM 1768 CA PRO A 109 18.717 -12.846 -1.873 1.00 2.77 C ATOM 1769 C PRO A 109 19.527 -12.755 -3.161 1.00 3.02 C ATOM 1770 O PRO A 109 19.208 -11.968 -4.053 1.00 3.11 O ATOM 1771 CB PRO A 109 17.614 -13.900 -2.009 1.00 2.80 C ATOM 1772 CG PRO A 109 16.456 -13.342 -1.259 1.00 2.70 C ATOM 1773 CD PRO A 109 16.535 -11.852 -1.429 1.00 2.48 C ATOM 0 HA PRO A 109 19.444 -13.073 -1.093 1.00 2.77 H new ATOM 0 HB2 PRO A 109 17.361 -14.074 -3.055 1.00 2.80 H new ATOM 0 HB3 PRO A 109 17.929 -14.857 -1.594 1.00 2.80 H new ATOM 0 HG2 PRO A 109 15.515 -13.730 -1.648 1.00 2.70 H new ATOM 0 HG3 PRO A 109 16.503 -13.618 -0.206 1.00 2.70 H new ATOM 0 HD2 PRO A 109 15.971 -11.516 -2.299 1.00 2.48 H new ATOM 0 HD3 PRO A 109 16.131 -11.326 -0.564 1.00 2.48 H new ATOM 1781 N ARG A 110 20.576 -13.566 -3.252 1.00 3.26 N ATOM 1782 CA ARG A 110 21.434 -13.578 -4.431 1.00 3.61 C ATOM 1783 C ARG A 110 22.201 -14.894 -4.532 1.00 3.87 C ATOM 1784 O ARG A 110 23.215 -15.044 -3.818 1.00 4.38 O ATOM 1785 CB ARG A 110 22.414 -12.404 -4.384 1.00 4.21 C ATOM 1786 CG ARG A 110 23.143 -12.166 -5.695 1.00 4.62 C ATOM 1787 CD ARG A 110 22.781 -10.819 -6.299 1.00 5.34 C ATOM 1788 NE ARG A 110 23.949 -10.130 -6.840 1.00 5.83 N ATOM 1789 CZ ARG A 110 23.999 -8.820 -7.059 1.00 6.55 C ATOM 1790 NH1 ARG A 110 22.948 -8.059 -6.786 1.00 6.84 N ATOM 1791 NH2 ARG A 110 25.101 -8.270 -7.550 1.00 7.27 N ATOM 1792 OXT ARG A 110 21.779 -15.763 -5.323 1.00 4.05 O ATOM 0 H ARG A 110 20.852 -14.224 -2.523 1.00 3.26 H new ATOM 0 HA ARG A 110 20.801 -13.479 -5.313 1.00 3.61 H new ATOM 0 HB2 ARG A 110 21.871 -11.499 -4.111 1.00 4.21 H new ATOM 0 HB3 ARG A 110 23.147 -12.585 -3.598 1.00 4.21 H new ATOM 0 HG2 ARG A 110 24.219 -12.213 -5.528 1.00 4.62 H new ATOM 0 HG3 ARG A 110 22.895 -12.960 -6.399 1.00 4.62 H new ATOM 0 HD2 ARG A 110 22.046 -10.963 -7.091 1.00 5.34 H new ATOM 0 HD3 ARG A 110 22.312 -10.195 -5.538 1.00 5.34 H new ATOM 0 HE ARG A 110 24.774 -10.686 -7.063 1.00 5.83 H new ATOM 0 HH11 ARG A 110 22.099 -8.479 -6.407 1.00 6.84 H new ATOM 0 HH12 ARG A 110 22.989 -7.054 -6.955 1.00 6.84 H new ATOM 0 HH21 ARG A 110 25.912 -8.852 -7.760 1.00 7.27 H new ATOM 0 HH22 ARG A 110 25.138 -7.265 -7.718 1.00 7.27 H new TER 1806 ARG A 110