USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 582 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 57 THR OG1 : rot 180:sc= 0.644 USER MOD Set 1.2: A 61 GLN :FLIP amide:sc= 0.295 F(o=-0.42,f=0.94) USER MOD Set 2.1: A 5 GLN :FLIP amide:sc= 0.928 F(o=-2,f=1.9) USER MOD Set 2.2: A 35 THR OG1 : rot -140:sc= 0.994 USER MOD Set 3.1: A 16 THR OG1 : rot 171:sc= 0.794 USER MOD Set 3.2: A 20 CYS SG : rot 143:sc= 1.12 USER MOD Set 3.3: A 69 TYR OH : rot 156:sc= 0.158 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -137:sc= 0 (180deg=-2.16!) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.196 F(o=-1.8!,f=-0.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 173:sc= 0 (180deg=-0.0616) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0177 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 1.96 (180deg=1.89) USER MOD Single : A 31 MET CE :methyl -120:sc= -0.356 (180deg=-0.372) USER MOD Single : A 38 ASN : amide:sc= 1.12 K(o=1.1,f=-0.0015) USER MOD Single : A 40 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.8!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.035 USER MOD Single : A 45 THR OG1 : rot 79:sc= 1.26 USER MOD Single : A 47 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.6!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.101 USER MOD Single : A 55 THR OG1 : rot 97:sc= 1.27 USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 1.2 (180deg=1.02) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -0.246 K(o=-0.25,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.077 6.189 -25.395 1.00 7.27 N ATOM 2 CA MET A 1 6.542 5.034 -26.184 1.00 5.72 C ATOM 3 C MET A 1 6.043 3.741 -25.538 1.00 4.04 C ATOM 4 O MET A 1 5.002 3.241 -25.952 1.00 4.39 O ATOM 5 CB MET A 1 8.063 5.070 -26.412 1.00 6.32 C ATOM 6 CG MET A 1 8.401 5.776 -27.736 1.00 7.64 C ATOM 7 SD MET A 1 10.162 6.034 -28.079 1.00 9.16 S ATOM 8 CE MET A 1 10.496 7.480 -27.048 1.00 10.87 C ATOM 0 H1 MET A 1 6.416 7.069 -25.834 1.00 7.27 H new ATOM 0 H2 MET A 1 5.037 6.194 -25.367 1.00 7.27 H new ATOM 0 H3 MET A 1 6.449 6.120 -24.426 1.00 7.27 H new ATOM 0 HA MET A 1 6.113 5.082 -27.185 1.00 5.72 H new ATOM 0 HB2 MET A 1 8.547 5.589 -25.584 1.00 6.32 H new ATOM 0 HB3 MET A 1 8.457 4.054 -26.426 1.00 6.32 H new ATOM 0 HG2 MET A 1 7.975 5.194 -28.553 1.00 7.64 H new ATOM 0 HG3 MET A 1 7.905 6.747 -27.743 1.00 7.64 H new ATOM 0 HE1 MET A 1 11.543 7.765 -27.149 1.00 10.87 H new ATOM 0 HE2 MET A 1 9.863 8.308 -27.366 1.00 10.87 H new ATOM 0 HE3 MET A 1 10.284 7.241 -26.006 1.00 10.87 H new ATOM 20 N LEU A 2 6.727 3.237 -24.507 1.00 3.27 N ATOM 21 CA LEU A 2 6.286 2.074 -23.745 1.00 2.37 C ATOM 22 C LEU A 2 6.570 2.302 -22.261 1.00 2.26 C ATOM 23 O LEU A 2 7.330 3.204 -21.911 1.00 3.82 O ATOM 24 CB LEU A 2 6.993 0.796 -24.236 1.00 3.43 C ATOM 25 CG LEU A 2 6.235 0.076 -25.367 1.00 4.46 C ATOM 26 CD1 LEU A 2 6.862 0.358 -26.736 1.00 5.28 C ATOM 27 CD2 LEU A 2 6.243 -1.436 -25.107 1.00 5.96 C ATOM 0 H LEU A 2 7.609 3.630 -24.178 1.00 3.27 H new ATOM 0 HA LEU A 2 5.214 1.941 -23.892 1.00 2.37 H new ATOM 0 HB2 LEU A 2 7.993 1.054 -24.585 1.00 3.43 H new ATOM 0 HB3 LEU A 2 7.115 0.111 -23.397 1.00 3.43 H new ATOM 0 HG LEU A 2 5.212 0.453 -25.378 1.00 4.46 H new ATOM 0 HD11 LEU A 2 6.300 -0.167 -27.509 1.00 5.28 H new ATOM 0 HD12 LEU A 2 6.837 1.430 -26.934 1.00 5.28 H new ATOM 0 HD13 LEU A 2 7.896 0.012 -26.741 1.00 5.28 H new ATOM 0 HD21 LEU A 2 5.707 -1.946 -25.907 1.00 5.96 H new ATOM 0 HD22 LEU A 2 7.272 -1.794 -25.074 1.00 5.96 H new ATOM 0 HD23 LEU A 2 5.756 -1.644 -24.154 1.00 5.96 H new ATOM 39 N SER A 3 5.954 1.458 -21.424 1.00 1.62 N ATOM 40 CA SER A 3 5.926 1.531 -19.970 1.00 1.27 C ATOM 41 C SER A 3 4.962 2.634 -19.530 1.00 1.02 C ATOM 42 O SER A 3 5.020 3.752 -20.037 1.00 1.29 O ATOM 43 CB SER A 3 7.327 1.693 -19.360 1.00 1.51 C ATOM 44 OG SER A 3 7.394 1.059 -18.095 1.00 2.79 O ATOM 0 H SER A 3 5.430 0.656 -21.774 1.00 1.62 H new ATOM 0 HA SER A 3 5.558 0.580 -19.585 1.00 1.27 H new ATOM 0 HB2 SER A 3 8.073 1.263 -20.029 1.00 1.51 H new ATOM 0 HB3 SER A 3 7.564 2.752 -19.256 1.00 1.51 H new ATOM 0 HG SER A 3 8.293 1.170 -17.721 1.00 2.79 H new ATOM 50 N GLU A 4 4.071 2.309 -18.595 1.00 0.71 N ATOM 51 CA GLU A 4 3.154 3.249 -17.986 1.00 0.52 C ATOM 52 C GLU A 4 2.844 2.737 -16.585 1.00 0.47 C ATOM 53 O GLU A 4 2.860 1.530 -16.345 1.00 0.64 O ATOM 54 CB GLU A 4 1.880 3.425 -18.826 1.00 0.63 C ATOM 55 CG GLU A 4 1.246 2.096 -19.271 1.00 1.44 C ATOM 56 CD GLU A 4 -0.156 2.276 -19.845 1.00 1.93 C ATOM 57 OE1 GLU A 4 -0.580 3.442 -19.988 1.00 2.50 O ATOM 58 OE2 GLU A 4 -0.783 1.233 -20.128 1.00 2.79 O ATOM 0 H GLU A 4 3.971 1.359 -18.237 1.00 0.71 H new ATOM 0 HA GLU A 4 3.608 4.239 -17.932 1.00 0.52 H new ATOM 0 HB2 GLU A 4 1.149 3.991 -18.248 1.00 0.63 H new ATOM 0 HB3 GLU A 4 2.116 4.019 -19.709 1.00 0.63 H new ATOM 0 HG2 GLU A 4 1.884 1.627 -20.020 1.00 1.44 H new ATOM 0 HG3 GLU A 4 1.201 1.416 -18.420 1.00 1.44 H new ATOM 65 N GLN A 5 2.596 3.669 -15.669 1.00 0.37 N ATOM 66 CA GLN A 5 2.268 3.380 -14.286 1.00 0.29 C ATOM 67 C GLN A 5 0.760 3.245 -14.119 1.00 0.31 C ATOM 68 O GLN A 5 0.003 3.604 -15.020 1.00 0.40 O ATOM 69 CB GLN A 5 2.867 4.469 -13.395 1.00 0.24 C ATOM 70 CG GLN A 5 2.299 5.878 -13.625 1.00 0.23 C ATOM 71 CD GLN A 5 3.167 6.943 -12.959 1.00 0.39 C ATOM 72 OE1 GLN A 5 3.976 6.547 -11.983 1.00 0.64 O flip ATOM 73 NE2 GLN A 5 3.129 8.109 -13.335 1.00 0.58 N flip ATOM 0 H GLN A 5 2.619 4.667 -15.878 1.00 0.37 H new ATOM 0 HA GLN A 5 2.700 2.426 -13.983 1.00 0.29 H new ATOM 0 HB2 GLN A 5 2.707 4.194 -12.353 1.00 0.24 H new ATOM 0 HB3 GLN A 5 3.945 4.497 -13.555 1.00 0.24 H new ATOM 0 HG2 GLN A 5 2.234 6.076 -14.695 1.00 0.23 H new ATOM 0 HG3 GLN A 5 1.285 5.933 -13.229 1.00 0.23 H new ATOM 0 HE21 GLN A 5 2.497 8.382 -14.087 1.00 0.58 H new ATOM 0 HE22 GLN A 5 3.730 8.806 -12.896 1.00 0.58 H new ATOM 82 N LYS A 6 0.314 2.754 -12.962 1.00 0.28 N ATOM 83 CA LYS A 6 -1.103 2.703 -12.663 1.00 0.33 C ATOM 84 C LYS A 6 -1.364 2.846 -11.171 1.00 0.30 C ATOM 85 O LYS A 6 -0.471 2.649 -10.345 1.00 0.25 O ATOM 86 CB LYS A 6 -1.739 1.412 -13.214 1.00 0.41 C ATOM 87 CG LYS A 6 -2.752 1.759 -14.309 1.00 0.55 C ATOM 88 CD LYS A 6 -3.702 0.585 -14.571 1.00 1.32 C ATOM 89 CE LYS A 6 -4.760 1.001 -15.603 1.00 1.76 C ATOM 90 NZ LYS A 6 -5.759 -0.062 -15.830 1.00 3.06 N ATOM 0 H LYS A 6 0.917 2.389 -12.224 1.00 0.28 H new ATOM 0 HA LYS A 6 -1.574 3.550 -13.161 1.00 0.33 H new ATOM 0 HB2 LYS A 6 -0.966 0.757 -13.616 1.00 0.41 H new ATOM 0 HB3 LYS A 6 -2.232 0.866 -12.409 1.00 0.41 H new ATOM 0 HG2 LYS A 6 -3.326 2.637 -14.013 1.00 0.55 H new ATOM 0 HG3 LYS A 6 -2.225 2.017 -15.228 1.00 0.55 H new ATOM 0 HD2 LYS A 6 -3.141 -0.275 -14.936 1.00 1.32 H new ATOM 0 HD3 LYS A 6 -4.185 0.280 -13.643 1.00 1.32 H new ATOM 0 HE2 LYS A 6 -5.264 1.905 -15.261 1.00 1.76 H new ATOM 0 HE3 LYS A 6 -4.270 1.246 -16.546 1.00 1.76 H new ATOM 0 HZ1 LYS A 6 -6.455 0.260 -16.533 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 -5.282 -0.917 -16.181 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 -6.245 -0.278 -14.936 1.00 3.06 H new ATOM 104 N GLU A 7 -2.624 3.171 -10.879 1.00 0.38 N ATOM 105 CA GLU A 7 -3.223 3.197 -9.564 1.00 0.41 C ATOM 106 C GLU A 7 -3.683 1.781 -9.219 1.00 0.40 C ATOM 107 O GLU A 7 -4.220 1.071 -10.072 1.00 0.69 O ATOM 108 CB GLU A 7 -4.396 4.198 -9.558 1.00 0.57 C ATOM 109 CG GLU A 7 -5.348 4.068 -10.761 1.00 0.75 C ATOM 110 CD GLU A 7 -6.557 4.985 -10.625 1.00 1.13 C ATOM 111 OE1 GLU A 7 -6.326 6.185 -10.371 1.00 1.63 O ATOM 112 OE2 GLU A 7 -7.680 4.466 -10.798 1.00 2.26 O ATOM 0 H GLU A 7 -3.286 3.438 -11.607 1.00 0.38 H new ATOM 0 HA GLU A 7 -2.506 3.524 -8.811 1.00 0.41 H new ATOM 0 HB2 GLU A 7 -4.969 4.063 -8.640 1.00 0.57 H new ATOM 0 HB3 GLU A 7 -3.994 5.211 -9.536 1.00 0.57 H new ATOM 0 HG2 GLU A 7 -4.810 4.308 -11.678 1.00 0.75 H new ATOM 0 HG3 GLU A 7 -5.683 3.035 -10.850 1.00 0.75 H new ATOM 119 N ILE A 8 -3.476 1.375 -7.968 1.00 0.24 N ATOM 120 CA ILE A 8 -4.131 0.227 -7.364 1.00 0.21 C ATOM 121 C ILE A 8 -4.938 0.767 -6.190 1.00 0.28 C ATOM 122 O ILE A 8 -4.546 1.779 -5.610 1.00 0.38 O ATOM 123 CB ILE A 8 -3.079 -0.821 -6.943 1.00 0.24 C ATOM 124 CG1 ILE A 8 -3.526 -2.258 -7.252 1.00 0.41 C ATOM 125 CG2 ILE A 8 -2.691 -0.718 -5.461 1.00 0.41 C ATOM 126 CD1 ILE A 8 -3.540 -2.544 -8.758 1.00 1.10 C ATOM 0 H ILE A 8 -2.832 1.849 -7.335 1.00 0.24 H new ATOM 0 HA ILE A 8 -4.797 -0.287 -8.057 1.00 0.21 H new ATOM 0 HB ILE A 8 -2.199 -0.590 -7.543 1.00 0.24 H new ATOM 0 HG12 ILE A 8 -2.856 -2.961 -6.756 1.00 0.41 H new ATOM 0 HG13 ILE A 8 -4.522 -2.424 -6.842 1.00 0.41 H new ATOM 0 HG21 ILE A 8 -1.949 -1.480 -5.225 1.00 0.41 H new ATOM 0 HG22 ILE A 8 -2.273 0.269 -5.262 1.00 0.41 H new ATOM 0 HG23 ILE A 8 -3.575 -0.869 -4.842 1.00 0.41 H new ATOM 0 HD11 ILE A 8 -3.862 -3.571 -8.930 1.00 1.10 H new ATOM 0 HD12 ILE A 8 -4.230 -1.860 -9.252 1.00 1.10 H new ATOM 0 HD13 ILE A 8 -2.538 -2.405 -9.164 1.00 1.10 H new ATOM 138 N ALA A 9 -6.034 0.085 -5.845 1.00 0.30 N ATOM 139 CA ALA A 9 -6.911 0.412 -4.729 1.00 0.43 C ATOM 140 C ALA A 9 -7.376 -0.896 -4.098 1.00 0.43 C ATOM 141 O ALA A 9 -7.951 -1.724 -4.805 1.00 0.48 O ATOM 142 CB ALA A 9 -8.100 1.241 -5.221 1.00 0.59 C ATOM 0 H ALA A 9 -6.342 -0.741 -6.358 1.00 0.30 H new ATOM 0 HA ALA A 9 -6.382 1.008 -3.986 1.00 0.43 H new ATOM 0 HB1 ALA A 9 -8.750 1.480 -4.379 1.00 0.59 H new ATOM 0 HB2 ALA A 9 -7.738 2.164 -5.674 1.00 0.59 H new ATOM 0 HB3 ALA A 9 -8.660 0.670 -5.961 1.00 0.59 H new ATOM 148 N MET A 10 -7.083 -1.119 -2.812 1.00 0.40 N ATOM 149 CA MET A 10 -7.327 -2.400 -2.156 1.00 0.39 C ATOM 150 C MET A 10 -7.454 -2.200 -0.636 1.00 0.37 C ATOM 151 O MET A 10 -7.140 -1.118 -0.144 1.00 0.41 O ATOM 152 CB MET A 10 -6.192 -3.356 -2.530 1.00 0.44 C ATOM 153 CG MET A 10 -4.838 -2.847 -2.023 1.00 0.44 C ATOM 154 SD MET A 10 -3.394 -3.391 -2.977 1.00 1.10 S ATOM 155 CE MET A 10 -2.058 -2.468 -2.181 1.00 0.83 C ATOM 0 H MET A 10 -6.670 -0.414 -2.201 1.00 0.40 H new ATOM 0 HA MET A 10 -8.268 -2.836 -2.491 1.00 0.39 H new ATOM 0 HB2 MET A 10 -6.392 -4.342 -2.110 1.00 0.44 H new ATOM 0 HB3 MET A 10 -6.155 -3.473 -3.613 1.00 0.44 H new ATOM 0 HG2 MET A 10 -4.858 -1.757 -2.017 1.00 0.44 H new ATOM 0 HG3 MET A 10 -4.712 -3.170 -0.990 1.00 0.44 H new ATOM 0 HE1 MET A 10 -1.391 -2.063 -2.943 1.00 0.83 H new ATOM 0 HE2 MET A 10 -2.479 -1.651 -1.596 1.00 0.83 H new ATOM 0 HE3 MET A 10 -1.497 -3.133 -1.524 1.00 0.83 H new ATOM 165 N GLN A 11 -7.924 -3.212 0.108 1.00 0.34 N ATOM 166 CA GLN A 11 -8.219 -3.093 1.538 1.00 0.32 C ATOM 167 C GLN A 11 -7.060 -3.632 2.362 1.00 0.31 C ATOM 168 O GLN A 11 -6.285 -4.457 1.878 1.00 0.40 O ATOM 169 CB GLN A 11 -9.538 -3.760 1.980 1.00 0.34 C ATOM 170 CG GLN A 11 -10.714 -3.706 1.001 1.00 0.38 C ATOM 171 CD GLN A 11 -10.646 -4.834 -0.024 1.00 0.74 C ATOM 172 OE1 GLN A 11 -10.015 -4.562 -1.156 1.00 1.79 O flip ATOM 173 NE2 GLN A 11 -11.141 -5.930 0.204 1.00 0.69 N flip ATOM 0 H GLN A 11 -8.110 -4.141 -0.271 1.00 0.34 H new ATOM 0 HA GLN A 11 -8.352 -2.027 1.720 1.00 0.32 H new ATOM 0 HB2 GLN A 11 -9.330 -4.807 2.200 1.00 0.34 H new ATOM 0 HB3 GLN A 11 -9.855 -3.295 2.914 1.00 0.34 H new ATOM 0 HG2 GLN A 11 -11.651 -3.772 1.554 1.00 0.38 H new ATOM 0 HG3 GLN A 11 -10.715 -2.745 0.486 1.00 0.38 H new ATOM 0 HE21 GLN A 11 -11.619 -6.100 1.089 1.00 0.69 H new ATOM 0 HE22 GLN A 11 -11.075 -6.674 -0.491 1.00 0.69 H new ATOM 182 N VAL A 12 -6.956 -3.180 3.612 1.00 0.33 N ATOM 183 CA VAL A 12 -5.908 -3.612 4.529 1.00 0.32 C ATOM 184 C VAL A 12 -6.524 -4.368 5.704 1.00 0.42 C ATOM 185 O VAL A 12 -7.718 -4.237 5.963 1.00 0.74 O ATOM 186 CB VAL A 12 -5.043 -2.418 4.973 1.00 0.40 C ATOM 187 CG1 VAL A 12 -3.600 -2.852 5.246 1.00 0.41 C ATOM 188 CG2 VAL A 12 -4.950 -1.358 3.873 1.00 0.49 C ATOM 0 H VAL A 12 -7.601 -2.501 4.016 1.00 0.33 H new ATOM 0 HA VAL A 12 -5.238 -4.302 4.016 1.00 0.32 H new ATOM 0 HB VAL A 12 -5.520 -2.022 5.869 1.00 0.40 H new ATOM 0 HG11 VAL A 12 -3.013 -1.988 5.558 1.00 0.41 H new ATOM 0 HG12 VAL A 12 -3.589 -3.602 6.037 1.00 0.41 H new ATOM 0 HG13 VAL A 12 -3.169 -3.275 4.338 1.00 0.41 H new ATOM 0 HG21 VAL A 12 -4.333 -0.529 4.218 1.00 0.49 H new ATOM 0 HG22 VAL A 12 -4.502 -1.797 2.981 1.00 0.49 H new ATOM 0 HG23 VAL A 12 -5.949 -0.992 3.635 1.00 0.49 H new ATOM 198 N SER A 13 -5.712 -5.160 6.409 1.00 0.34 N ATOM 199 CA SER A 13 -6.088 -5.872 7.617 1.00 0.47 C ATOM 200 C SER A 13 -5.077 -5.526 8.714 1.00 0.57 C ATOM 201 O SER A 13 -3.879 -5.747 8.532 1.00 0.81 O ATOM 202 CB SER A 13 -6.089 -7.376 7.325 1.00 0.69 C ATOM 203 OG SER A 13 -6.855 -8.073 8.290 1.00 0.86 O ATOM 0 H SER A 13 -4.742 -5.324 6.139 1.00 0.34 H new ATOM 0 HA SER A 13 -7.085 -5.584 7.950 1.00 0.47 H new ATOM 0 HB2 SER A 13 -6.496 -7.558 6.330 1.00 0.69 H new ATOM 0 HB3 SER A 13 -5.066 -7.752 7.325 1.00 0.69 H new ATOM 0 HG SER A 13 -6.845 -9.031 8.086 1.00 0.86 H new ATOM 209 N GLY A 14 -5.565 -5.003 9.846 1.00 0.52 N ATOM 210 CA GLY A 14 -4.786 -4.793 11.065 1.00 0.74 C ATOM 211 C GLY A 14 -4.685 -3.319 11.471 1.00 0.83 C ATOM 212 O GLY A 14 -4.356 -3.023 12.616 1.00 1.41 O ATOM 0 H GLY A 14 -6.537 -4.708 9.938 1.00 0.52 H new ATOM 0 HA2 GLY A 14 -5.240 -5.357 11.880 1.00 0.74 H new ATOM 0 HA3 GLY A 14 -3.782 -5.193 10.920 1.00 0.74 H new ATOM 216 N MET A 15 -4.949 -2.398 10.540 1.00 0.78 N ATOM 217 CA MET A 15 -4.985 -0.959 10.775 1.00 0.87 C ATOM 218 C MET A 15 -5.792 -0.589 12.032 1.00 0.96 C ATOM 219 O MET A 15 -6.841 -1.174 12.294 1.00 1.02 O ATOM 220 CB MET A 15 -5.535 -0.234 9.531 1.00 1.01 C ATOM 221 CG MET A 15 -6.973 -0.634 9.149 1.00 1.07 C ATOM 222 SD MET A 15 -7.169 -2.175 8.220 1.00 2.79 S ATOM 223 CE MET A 15 -8.891 -2.561 8.590 1.00 3.62 C ATOM 0 H MET A 15 -5.150 -2.646 9.571 1.00 0.78 H new ATOM 0 HA MET A 15 -3.962 -0.630 10.956 1.00 0.87 H new ATOM 0 HB2 MET A 15 -5.504 0.841 9.708 1.00 1.01 H new ATOM 0 HB3 MET A 15 -4.877 -0.437 8.686 1.00 1.01 H new ATOM 0 HG2 MET A 15 -7.559 -0.712 10.065 1.00 1.07 H new ATOM 0 HG3 MET A 15 -7.406 0.175 8.561 1.00 1.07 H new ATOM 0 HE1 MET A 15 -9.208 -3.416 7.994 1.00 3.62 H new ATOM 0 HE2 MET A 15 -8.991 -2.800 9.649 1.00 3.62 H new ATOM 0 HE3 MET A 15 -9.516 -1.700 8.352 1.00 3.62 H new ATOM 233 N THR A 16 -5.324 0.414 12.783 1.00 1.38 N ATOM 234 CA THR A 16 -5.992 0.942 13.972 1.00 1.68 C ATOM 235 C THR A 16 -6.165 2.465 13.867 1.00 1.11 C ATOM 236 O THR A 16 -6.302 3.157 14.874 1.00 1.47 O ATOM 237 CB THR A 16 -5.145 0.574 15.194 1.00 2.69 C ATOM 238 OG1 THR A 16 -3.838 1.058 14.974 1.00 3.45 O ATOM 239 CG2 THR A 16 -5.087 -0.943 15.398 1.00 3.23 C ATOM 0 H THR A 16 -4.447 0.892 12.573 1.00 1.38 H new ATOM 0 HA THR A 16 -6.988 0.509 14.065 1.00 1.68 H new ATOM 0 HB THR A 16 -5.591 1.016 16.085 1.00 2.69 H new ATOM 0 HG1 THR A 16 -3.312 0.966 15.796 1.00 3.45 H new ATOM 0 HG21 THR A 16 -4.478 -1.169 16.273 1.00 3.23 H new ATOM 0 HG22 THR A 16 -6.095 -1.329 15.548 1.00 3.23 H new ATOM 0 HG23 THR A 16 -4.646 -1.412 14.518 1.00 3.23 H new ATOM 247 N CYS A 17 -6.159 3.000 12.642 1.00 0.94 N ATOM 248 CA CYS A 17 -6.192 4.435 12.388 1.00 1.68 C ATOM 249 C CYS A 17 -5.002 5.138 13.048 1.00 1.49 C ATOM 250 O CYS A 17 -3.881 4.640 12.929 1.00 2.11 O ATOM 251 CB CYS A 17 -7.575 5.019 12.720 1.00 2.55 C ATOM 252 SG CYS A 17 -7.860 6.523 11.745 1.00 3.99 S ATOM 0 H CYS A 17 -6.131 2.438 11.792 1.00 0.94 H new ATOM 0 HA CYS A 17 -6.062 4.624 11.322 1.00 1.68 H new ATOM 0 HB2 CYS A 17 -8.351 4.284 12.506 1.00 2.55 H new ATOM 0 HB3 CYS A 17 -7.637 5.248 13.784 1.00 2.55 H new ATOM 0 HG CYS A 17 -9.032 7.009 12.030 1.00 3.99 H new ATOM 258 N ALA A 18 -5.213 6.291 13.699 1.00 1.28 N ATOM 259 CA ALA A 18 -4.179 7.179 14.221 1.00 1.43 C ATOM 260 C ALA A 18 -3.144 7.561 13.152 1.00 1.55 C ATOM 261 O ALA A 18 -3.236 8.633 12.560 1.00 3.08 O ATOM 262 CB ALA A 18 -3.557 6.592 15.494 1.00 1.67 C ATOM 0 H ALA A 18 -6.154 6.640 13.881 1.00 1.28 H new ATOM 0 HA ALA A 18 -4.649 8.121 14.504 1.00 1.43 H new ATOM 0 HB1 ALA A 18 -2.788 7.268 15.868 1.00 1.67 H new ATOM 0 HB2 ALA A 18 -4.330 6.466 16.252 1.00 1.67 H new ATOM 0 HB3 ALA A 18 -3.110 5.624 15.268 1.00 1.67 H new ATOM 268 N ALA A 19 -2.170 6.684 12.898 1.00 1.28 N ATOM 269 CA ALA A 19 -1.151 6.851 11.867 1.00 1.15 C ATOM 270 C ALA A 19 -0.701 5.502 11.289 1.00 0.82 C ATOM 271 O ALA A 19 0.332 5.434 10.624 1.00 0.74 O ATOM 272 CB ALA A 19 0.043 7.598 12.475 1.00 1.54 C ATOM 0 H ALA A 19 -2.068 5.814 13.421 1.00 1.28 H new ATOM 0 HA ALA A 19 -1.574 7.425 11.043 1.00 1.15 H new ATOM 0 HB1 ALA A 19 0.814 7.731 11.716 1.00 1.54 H new ATOM 0 HB2 ALA A 19 -0.283 8.574 12.835 1.00 1.54 H new ATOM 0 HB3 ALA A 19 0.448 7.021 13.306 1.00 1.54 H new ATOM 278 N CYS A 20 -1.433 4.414 11.546 1.00 0.78 N ATOM 279 CA CYS A 20 -0.927 3.078 11.256 1.00 0.74 C ATOM 280 C CYS A 20 -0.905 2.863 9.757 1.00 0.57 C ATOM 281 O CYS A 20 0.153 2.697 9.163 1.00 0.54 O ATOM 282 CB CYS A 20 -1.735 1.989 11.970 1.00 0.88 C ATOM 283 SG CYS A 20 -1.119 1.822 13.662 1.00 1.27 S ATOM 0 H CYS A 20 -2.369 4.435 11.951 1.00 0.78 H new ATOM 0 HA CYS A 20 0.090 3.002 11.640 1.00 0.74 H new ATOM 0 HB2 CYS A 20 -2.794 2.248 11.978 1.00 0.88 H new ATOM 0 HB3 CYS A 20 -1.643 1.041 11.439 1.00 0.88 H new ATOM 0 HG CYS A 20 -2.113 1.578 14.464 1.00 1.27 H new ATOM 289 N ALA A 21 -2.072 2.925 9.119 1.00 0.55 N ATOM 290 CA ALA A 21 -2.167 2.706 7.685 1.00 0.54 C ATOM 291 C ALA A 21 -1.330 3.725 6.903 1.00 0.45 C ATOM 292 O ALA A 21 -0.736 3.408 5.874 1.00 0.52 O ATOM 293 CB ALA A 21 -3.634 2.698 7.283 1.00 0.66 C ATOM 0 H ALA A 21 -2.962 3.125 9.576 1.00 0.55 H new ATOM 0 HA ALA A 21 -1.743 1.734 7.431 1.00 0.54 H new ATOM 0 HB1 ALA A 21 -3.716 2.534 6.208 1.00 0.66 H new ATOM 0 HB2 ALA A 21 -4.152 1.898 7.812 1.00 0.66 H new ATOM 0 HB3 ALA A 21 -4.087 3.656 7.540 1.00 0.66 H new ATOM 299 N ALA A 22 -1.239 4.946 7.435 1.00 0.40 N ATOM 300 CA ALA A 22 -0.316 5.945 6.935 1.00 0.43 C ATOM 301 C ALA A 22 1.121 5.415 6.953 1.00 0.39 C ATOM 302 O ALA A 22 1.787 5.458 5.923 1.00 0.38 O ATOM 303 CB ALA A 22 -0.461 7.224 7.757 1.00 0.49 C ATOM 0 H ALA A 22 -1.805 5.261 8.223 1.00 0.40 H new ATOM 0 HA ALA A 22 -0.555 6.175 5.897 1.00 0.43 H new ATOM 0 HB1 ALA A 22 0.232 7.977 7.383 1.00 0.49 H new ATOM 0 HB2 ALA A 22 -1.482 7.597 7.673 1.00 0.49 H new ATOM 0 HB3 ALA A 22 -0.237 7.012 8.802 1.00 0.49 H new ATOM 309 N ARG A 23 1.609 4.918 8.098 1.00 0.41 N ATOM 310 CA ARG A 23 2.924 4.283 8.186 1.00 0.39 C ATOM 311 C ARG A 23 3.053 3.144 7.173 1.00 0.32 C ATOM 312 O ARG A 23 4.040 3.103 6.438 1.00 0.33 O ATOM 313 CB ARG A 23 3.202 3.774 9.611 1.00 0.48 C ATOM 314 CG ARG A 23 3.432 4.917 10.606 1.00 0.64 C ATOM 315 CD ARG A 23 4.912 5.322 10.645 1.00 1.05 C ATOM 316 NE ARG A 23 5.110 6.568 11.404 1.00 1.79 N ATOM 317 CZ ARG A 23 4.867 7.800 10.928 1.00 2.81 C ATOM 318 NH1 ARG A 23 4.371 7.945 9.694 1.00 4.09 N ATOM 319 NH2 ARG A 23 5.116 8.875 11.683 1.00 3.63 N ATOM 0 H ARG A 23 1.103 4.946 8.983 1.00 0.41 H new ATOM 0 HA ARG A 23 3.671 5.039 7.946 1.00 0.39 H new ATOM 0 HB2 ARG A 23 2.361 3.167 9.947 1.00 0.48 H new ATOM 0 HB3 ARG A 23 4.078 3.126 9.598 1.00 0.48 H new ATOM 0 HG2 ARG A 23 2.823 5.776 10.325 1.00 0.64 H new ATOM 0 HG3 ARG A 23 3.109 4.609 11.600 1.00 0.64 H new ATOM 0 HD2 ARG A 23 5.498 4.522 11.098 1.00 1.05 H new ATOM 0 HD3 ARG A 23 5.282 5.451 9.628 1.00 1.05 H new ATOM 0 HE ARG A 23 5.457 6.490 12.360 1.00 1.79 H new ATOM 0 HH11 ARG A 23 4.180 7.123 9.121 1.00 4.09 H new ATOM 0 HH12 ARG A 23 4.184 8.878 9.326 1.00 4.09 H new ATOM 0 HH21 ARG A 23 5.492 8.761 12.624 1.00 3.63 H new ATOM 0 HH22 ARG A 23 4.930 9.809 11.318 1.00 3.63 H new ATOM 333 N ILE A 24 2.068 2.237 7.134 1.00 0.31 N ATOM 334 CA ILE A 24 2.062 1.106 6.213 1.00 0.32 C ATOM 335 C ILE A 24 2.376 1.611 4.805 1.00 0.31 C ATOM 336 O ILE A 24 3.381 1.222 4.208 1.00 0.33 O ATOM 337 CB ILE A 24 0.711 0.358 6.240 1.00 0.35 C ATOM 338 CG1 ILE A 24 0.419 -0.272 7.606 1.00 0.42 C ATOM 339 CG2 ILE A 24 0.645 -0.749 5.186 1.00 0.48 C ATOM 340 CD1 ILE A 24 -0.968 -0.928 7.645 1.00 0.55 C ATOM 0 H ILE A 24 1.252 2.272 7.745 1.00 0.31 H new ATOM 0 HA ILE A 24 2.825 0.393 6.525 1.00 0.32 H new ATOM 0 HB ILE A 24 -0.039 1.119 6.024 1.00 0.35 H new ATOM 0 HG12 ILE A 24 1.181 -1.018 7.833 1.00 0.42 H new ATOM 0 HG13 ILE A 24 0.482 0.493 8.380 1.00 0.42 H new ATOM 0 HG21 ILE A 24 -0.323 -1.248 5.242 1.00 0.48 H new ATOM 0 HG22 ILE A 24 0.773 -0.315 4.194 1.00 0.48 H new ATOM 0 HG23 ILE A 24 1.438 -1.474 5.370 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -1.137 -1.363 8.630 1.00 0.55 H new ATOM 0 HD12 ILE A 24 -1.732 -0.177 7.444 1.00 0.55 H new ATOM 0 HD13 ILE A 24 -1.022 -1.711 6.888 1.00 0.55 H new ATOM 352 N GLU A 25 1.534 2.502 4.274 1.00 0.29 N ATOM 353 CA GLU A 25 1.719 2.901 2.890 1.00 0.27 C ATOM 354 C GLU A 25 3.001 3.734 2.756 1.00 0.28 C ATOM 355 O GLU A 25 3.752 3.593 1.798 1.00 0.35 O ATOM 356 CB GLU A 25 0.504 3.677 2.363 1.00 0.33 C ATOM 357 CG GLU A 25 -0.152 3.004 1.156 1.00 0.43 C ATOM 358 CD GLU A 25 0.769 2.701 -0.010 1.00 1.73 C ATOM 359 OE1 GLU A 25 1.675 3.518 -0.263 1.00 3.42 O ATOM 360 OE2 GLU A 25 0.526 1.653 -0.639 1.00 2.40 O ATOM 0 H GLU A 25 0.753 2.940 4.761 1.00 0.29 H new ATOM 0 HA GLU A 25 1.816 2.001 2.282 1.00 0.27 H new ATOM 0 HB2 GLU A 25 -0.231 3.777 3.161 1.00 0.33 H new ATOM 0 HB3 GLU A 25 0.814 4.685 2.087 1.00 0.33 H new ATOM 0 HG2 GLU A 25 -0.608 2.071 1.487 1.00 0.43 H new ATOM 0 HG3 GLU A 25 -0.959 3.644 0.801 1.00 0.43 H new ATOM 367 N LYS A 26 3.304 4.608 3.723 1.00 0.27 N ATOM 368 CA LYS A 26 4.513 5.408 3.670 1.00 0.27 C ATOM 369 C LYS A 26 5.778 4.548 3.594 1.00 0.32 C ATOM 370 O LYS A 26 6.771 4.978 3.008 1.00 0.44 O ATOM 371 CB LYS A 26 4.549 6.394 4.841 1.00 0.34 C ATOM 372 CG LYS A 26 3.725 7.665 4.565 1.00 0.37 C ATOM 373 CD LYS A 26 4.430 8.558 3.524 1.00 0.56 C ATOM 374 CE LYS A 26 3.770 9.939 3.373 1.00 0.62 C ATOM 375 NZ LYS A 26 4.347 10.956 4.278 1.00 1.26 N ATOM 0 H LYS A 26 2.724 4.772 4.546 1.00 0.27 H new ATOM 0 HA LYS A 26 4.493 5.985 2.745 1.00 0.27 H new ATOM 0 HB2 LYS A 26 4.167 5.904 5.737 1.00 0.34 H new ATOM 0 HB3 LYS A 26 5.583 6.672 5.046 1.00 0.34 H new ATOM 0 HG2 LYS A 26 2.734 7.390 4.204 1.00 0.37 H new ATOM 0 HG3 LYS A 26 3.584 8.221 5.492 1.00 0.37 H new ATOM 0 HD2 LYS A 26 5.473 8.689 3.812 1.00 0.56 H new ATOM 0 HD3 LYS A 26 4.428 8.052 2.558 1.00 0.56 H new ATOM 0 HE2 LYS A 26 3.876 10.276 2.342 1.00 0.62 H new ATOM 0 HE3 LYS A 26 2.702 9.849 3.570 1.00 0.62 H new ATOM 0 HZ1 LYS A 26 3.864 11.865 4.132 1.00 1.26 H new ATOM 0 HZ2 LYS A 26 4.223 10.653 5.265 1.00 1.26 H new ATOM 0 HZ3 LYS A 26 5.361 11.066 4.075 1.00 1.26 H new ATOM 389 N GLY A 27 5.748 3.331 4.140 1.00 0.25 N ATOM 390 CA GLY A 27 6.770 2.344 3.839 1.00 0.28 C ATOM 391 C GLY A 27 6.857 2.096 2.328 1.00 0.31 C ATOM 392 O GLY A 27 7.930 2.201 1.735 1.00 0.37 O ATOM 0 H GLY A 27 5.028 3.012 4.789 1.00 0.25 H new ATOM 0 HA2 GLY A 27 7.735 2.687 4.212 1.00 0.28 H new ATOM 0 HA3 GLY A 27 6.543 1.410 4.353 1.00 0.28 H new ATOM 396 N LEU A 28 5.729 1.800 1.682 1.00 0.29 N ATOM 397 CA LEU A 28 5.685 1.573 0.244 1.00 0.30 C ATOM 398 C LEU A 28 6.057 2.810 -0.565 1.00 0.29 C ATOM 399 O LEU A 28 6.635 2.661 -1.633 1.00 0.31 O ATOM 400 CB LEU A 28 4.316 1.074 -0.189 1.00 0.31 C ATOM 401 CG LEU A 28 3.935 -0.258 0.463 1.00 0.33 C ATOM 402 CD1 LEU A 28 2.497 -0.535 0.035 1.00 0.36 C ATOM 403 CD2 LEU A 28 4.912 -1.393 0.101 1.00 0.34 C ATOM 0 H LEU A 28 4.823 1.712 2.143 1.00 0.29 H new ATOM 0 HA LEU A 28 6.434 0.808 0.039 1.00 0.30 H new ATOM 0 HB2 LEU A 28 3.565 1.824 0.062 1.00 0.31 H new ATOM 0 HB3 LEU A 28 4.302 0.959 -1.273 1.00 0.31 H new ATOM 0 HG LEU A 28 4.004 -0.202 1.549 1.00 0.33 H new ATOM 0 HD11 LEU A 28 2.163 -1.477 0.470 1.00 0.36 H new ATOM 0 HD12 LEU A 28 1.852 0.273 0.381 1.00 0.36 H new ATOM 0 HD13 LEU A 28 2.447 -0.599 -1.052 1.00 0.36 H new ATOM 0 HD21 LEU A 28 4.596 -2.315 0.589 1.00 0.34 H new ATOM 0 HD22 LEU A 28 4.917 -1.538 -0.979 1.00 0.34 H new ATOM 0 HD23 LEU A 28 5.915 -1.130 0.437 1.00 0.34 H new ATOM 415 N LYS A 29 5.799 4.023 -0.071 1.00 0.28 N ATOM 416 CA LYS A 29 6.319 5.249 -0.679 1.00 0.33 C ATOM 417 C LYS A 29 7.856 5.216 -0.821 1.00 0.30 C ATOM 418 O LYS A 29 8.400 5.985 -1.610 1.00 0.37 O ATOM 419 CB LYS A 29 5.765 6.488 0.050 1.00 0.44 C ATOM 420 CG LYS A 29 6.467 7.828 -0.220 1.00 0.70 C ATOM 421 CD LYS A 29 6.301 8.361 -1.647 1.00 1.40 C ATOM 422 CE LYS A 29 4.878 8.873 -1.911 1.00 1.27 C ATOM 423 NZ LYS A 29 4.863 9.892 -2.986 1.00 1.93 N ATOM 0 H LYS A 29 5.226 4.182 0.758 1.00 0.28 H new ATOM 0 HA LYS A 29 5.957 5.319 -1.705 1.00 0.33 H new ATOM 0 HB2 LYS A 29 4.714 6.596 -0.217 1.00 0.44 H new ATOM 0 HB3 LYS A 29 5.803 6.296 1.122 1.00 0.44 H new ATOM 0 HG2 LYS A 29 6.082 8.571 0.478 1.00 0.70 H new ATOM 0 HG3 LYS A 29 7.531 7.714 -0.010 1.00 0.70 H new ATOM 0 HD2 LYS A 29 7.013 9.168 -1.817 1.00 1.40 H new ATOM 0 HD3 LYS A 29 6.539 7.570 -2.359 1.00 1.40 H new ATOM 0 HE2 LYS A 29 4.235 8.038 -2.189 1.00 1.27 H new ATOM 0 HE3 LYS A 29 4.468 9.300 -0.996 1.00 1.27 H new ATOM 0 HZ1 LYS A 29 3.899 10.268 -3.095 1.00 1.93 H new ATOM 0 HZ2 LYS A 29 5.511 10.667 -2.739 1.00 1.93 H new ATOM 0 HZ3 LYS A 29 5.168 9.458 -3.880 1.00 1.93 H new ATOM 437 N ARG A 30 8.574 4.349 -0.090 1.00 0.28 N ATOM 438 CA ARG A 30 10.006 4.137 -0.311 1.00 0.33 C ATOM 439 C ARG A 30 10.326 3.089 -1.397 1.00 0.35 C ATOM 440 O ARG A 30 11.481 2.996 -1.807 1.00 0.51 O ATOM 441 CB ARG A 30 10.705 3.770 1.016 1.00 0.44 C ATOM 442 CG ARG A 30 11.732 4.826 1.453 1.00 0.81 C ATOM 443 CD ARG A 30 11.054 5.957 2.235 1.00 1.07 C ATOM 444 NE ARG A 30 12.008 7.041 2.523 1.00 1.78 N ATOM 445 CZ ARG A 30 11.839 8.003 3.447 1.00 2.21 C ATOM 446 NH1 ARG A 30 10.740 8.009 4.210 1.00 2.76 N ATOM 447 NH2 ARG A 30 12.768 8.953 3.602 1.00 2.96 N ATOM 0 H ARG A 30 8.180 3.783 0.662 1.00 0.28 H new ATOM 0 HA ARG A 30 10.395 5.083 -0.686 1.00 0.33 H new ATOM 0 HB2 ARG A 30 9.954 3.653 1.798 1.00 0.44 H new ATOM 0 HB3 ARG A 30 11.204 2.807 0.906 1.00 0.44 H new ATOM 0 HG2 ARG A 30 12.499 4.359 2.072 1.00 0.81 H new ATOM 0 HG3 ARG A 30 12.235 5.235 0.577 1.00 0.81 H new ATOM 0 HD2 ARG A 30 10.214 6.349 1.661 1.00 1.07 H new ATOM 0 HD3 ARG A 30 10.648 5.567 3.168 1.00 1.07 H new ATOM 0 HE ARG A 30 12.869 7.064 1.976 1.00 1.78 H new ATOM 0 HH11 ARG A 30 10.032 7.285 4.090 1.00 2.76 H new ATOM 0 HH12 ARG A 30 10.610 8.738 4.911 1.00 2.76 H new ATOM 0 HH21 ARG A 30 13.605 8.948 3.019 1.00 2.96 H new ATOM 0 HH22 ARG A 30 12.639 9.683 4.303 1.00 2.96 H new ATOM 461 N MET A 31 9.369 2.259 -1.829 1.00 0.26 N ATOM 462 CA MET A 31 9.649 1.116 -2.699 1.00 0.22 C ATOM 463 C MET A 31 9.974 1.545 -4.141 1.00 0.20 C ATOM 464 O MET A 31 9.320 2.436 -4.687 1.00 0.20 O ATOM 465 CB MET A 31 8.484 0.115 -2.658 1.00 0.30 C ATOM 466 CG MET A 31 8.469 -0.635 -1.319 1.00 0.51 C ATOM 467 SD MET A 31 9.774 -1.872 -1.105 1.00 1.24 S ATOM 468 CE MET A 31 9.152 -3.191 -2.169 1.00 2.14 C ATOM 0 H MET A 31 8.384 2.362 -1.585 1.00 0.26 H new ATOM 0 HA MET A 31 10.542 0.622 -2.317 1.00 0.22 H new ATOM 0 HB2 MET A 31 7.540 0.641 -2.798 1.00 0.30 H new ATOM 0 HB3 MET A 31 8.578 -0.596 -3.479 1.00 0.30 H new ATOM 0 HG2 MET A 31 8.548 0.094 -0.513 1.00 0.51 H new ATOM 0 HG3 MET A 31 7.503 -1.128 -1.209 1.00 0.51 H new ATOM 0 HE1 MET A 31 8.993 -4.092 -1.577 1.00 2.14 H new ATOM 0 HE2 MET A 31 8.209 -2.881 -2.619 1.00 2.14 H new ATOM 0 HE3 MET A 31 9.878 -3.397 -2.955 1.00 2.14 H new ATOM 478 N PRO A 32 10.978 0.916 -4.777 1.00 0.28 N ATOM 479 CA PRO A 32 11.513 1.339 -6.065 1.00 0.32 C ATOM 480 C PRO A 32 10.494 1.130 -7.184 1.00 0.28 C ATOM 481 O PRO A 32 10.429 0.052 -7.761 1.00 0.43 O ATOM 482 CB PRO A 32 12.765 0.483 -6.284 1.00 0.47 C ATOM 483 CG PRO A 32 12.464 -0.793 -5.495 1.00 0.50 C ATOM 484 CD PRO A 32 11.695 -0.255 -4.291 1.00 0.38 C ATOM 0 HA PRO A 32 11.747 2.403 -6.074 1.00 0.32 H new ATOM 0 HB2 PRO A 32 12.928 0.273 -7.341 1.00 0.47 H new ATOM 0 HB3 PRO A 32 13.662 0.981 -5.916 1.00 0.47 H new ATOM 0 HG2 PRO A 32 11.870 -1.499 -6.075 1.00 0.50 H new ATOM 0 HG3 PRO A 32 13.375 -1.312 -5.197 1.00 0.50 H new ATOM 0 HD2 PRO A 32 11.005 -1.003 -3.900 1.00 0.38 H new ATOM 0 HD3 PRO A 32 12.373 0.009 -3.479 1.00 0.38 H new ATOM 492 N GLY A 33 9.686 2.148 -7.479 1.00 0.20 N ATOM 493 CA GLY A 33 8.711 2.136 -8.557 1.00 0.15 C ATOM 494 C GLY A 33 7.389 2.739 -8.092 1.00 0.18 C ATOM 495 O GLY A 33 6.512 3.005 -8.912 1.00 0.22 O ATOM 0 H GLY A 33 9.696 3.025 -6.958 1.00 0.20 H new ATOM 0 HA2 GLY A 33 9.095 2.699 -9.408 1.00 0.15 H new ATOM 0 HA3 GLY A 33 8.550 1.113 -8.898 1.00 0.15 H new ATOM 499 N VAL A 34 7.222 2.968 -6.786 1.00 0.18 N ATOM 500 CA VAL A 34 6.117 3.763 -6.285 1.00 0.18 C ATOM 501 C VAL A 34 6.198 5.192 -6.823 1.00 0.19 C ATOM 502 O VAL A 34 7.284 5.745 -6.986 1.00 0.22 O ATOM 503 CB VAL A 34 6.130 3.726 -4.753 1.00 0.22 C ATOM 504 CG1 VAL A 34 7.260 4.606 -4.199 1.00 0.27 C ATOM 505 CG2 VAL A 34 4.772 4.147 -4.178 1.00 0.31 C ATOM 0 H VAL A 34 7.844 2.609 -6.062 1.00 0.18 H new ATOM 0 HA VAL A 34 5.171 3.347 -6.632 1.00 0.18 H new ATOM 0 HB VAL A 34 6.316 2.698 -4.442 1.00 0.22 H new ATOM 0 HG11 VAL A 34 7.252 4.566 -3.110 1.00 0.27 H new ATOM 0 HG12 VAL A 34 8.219 4.242 -4.568 1.00 0.27 H new ATOM 0 HG13 VAL A 34 7.113 5.636 -4.525 1.00 0.27 H new ATOM 0 HG21 VAL A 34 4.811 4.111 -3.089 1.00 0.31 H new ATOM 0 HG22 VAL A 34 4.540 5.162 -4.500 1.00 0.31 H new ATOM 0 HG23 VAL A 34 3.999 3.467 -4.536 1.00 0.31 H new ATOM 515 N THR A 35 5.036 5.793 -7.062 1.00 0.31 N ATOM 516 CA THR A 35 4.886 7.228 -7.218 1.00 0.37 C ATOM 517 C THR A 35 4.251 7.777 -5.950 1.00 0.37 C ATOM 518 O THR A 35 4.926 8.486 -5.203 1.00 0.44 O ATOM 519 CB THR A 35 4.088 7.584 -8.486 1.00 0.45 C ATOM 520 OG1 THR A 35 3.786 6.402 -9.199 1.00 0.46 O ATOM 521 CG2 THR A 35 4.910 8.497 -9.399 1.00 0.50 C ATOM 0 H THR A 35 4.158 5.282 -7.154 1.00 0.31 H new ATOM 0 HA THR A 35 5.862 7.693 -7.356 1.00 0.37 H new ATOM 0 HB THR A 35 3.174 8.096 -8.184 1.00 0.45 H new ATOM 0 HG1 THR A 35 3.883 6.566 -10.160 1.00 0.46 H new ATOM 0 HG21 THR A 35 4.330 8.738 -10.290 1.00 0.50 H new ATOM 0 HG22 THR A 35 5.157 9.416 -8.867 1.00 0.50 H new ATOM 0 HG23 THR A 35 5.829 7.988 -9.691 1.00 0.50 H new ATOM 529 N ASP A 36 2.981 7.443 -5.682 1.00 0.33 N ATOM 530 CA ASP A 36 2.189 8.183 -4.702 1.00 0.38 C ATOM 531 C ASP A 36 1.139 7.334 -4.000 1.00 0.50 C ATOM 532 O ASP A 36 0.324 6.683 -4.647 1.00 0.98 O ATOM 533 CB ASP A 36 1.570 9.435 -5.335 1.00 0.51 C ATOM 534 CG ASP A 36 2.571 10.576 -5.336 1.00 1.90 C ATOM 535 OD1 ASP A 36 2.900 11.019 -4.210 1.00 2.33 O ATOM 536 OD2 ASP A 36 3.063 10.918 -6.429 1.00 3.53 O ATOM 0 H ASP A 36 2.487 6.670 -6.129 1.00 0.33 H new ATOM 0 HA ASP A 36 2.882 8.494 -3.920 1.00 0.38 H new ATOM 0 HB2 ASP A 36 1.256 9.217 -6.356 1.00 0.51 H new ATOM 0 HB3 ASP A 36 0.677 9.726 -4.782 1.00 0.51 H new ATOM 541 N ALA A 37 1.178 7.369 -2.665 1.00 0.28 N ATOM 542 CA ALA A 37 0.282 6.673 -1.759 1.00 0.31 C ATOM 543 C ALA A 37 -0.914 7.558 -1.408 1.00 0.61 C ATOM 544 O ALA A 37 -0.770 8.780 -1.357 1.00 1.10 O ATOM 545 CB ALA A 37 1.070 6.386 -0.483 1.00 0.59 C ATOM 0 H ALA A 37 1.879 7.918 -2.167 1.00 0.28 H new ATOM 0 HA ALA A 37 -0.087 5.758 -2.223 1.00 0.31 H new ATOM 0 HB1 ALA A 37 0.432 5.862 0.228 1.00 0.59 H new ATOM 0 HB2 ALA A 37 1.934 5.766 -0.721 1.00 0.59 H new ATOM 0 HB3 ALA A 37 1.407 7.325 -0.044 1.00 0.59 H new ATOM 551 N ASN A 38 -2.075 6.965 -1.116 1.00 0.35 N ATOM 552 CA ASN A 38 -3.252 7.688 -0.650 1.00 0.44 C ATOM 553 C ASN A 38 -4.139 6.740 0.160 1.00 0.36 C ATOM 554 O ASN A 38 -4.859 5.914 -0.398 1.00 0.39 O ATOM 555 CB ASN A 38 -3.997 8.326 -1.839 1.00 0.54 C ATOM 556 CG ASN A 38 -4.075 9.845 -1.712 1.00 0.90 C ATOM 557 OD1 ASN A 38 -5.158 10.415 -1.646 1.00 1.86 O ATOM 558 ND2 ASN A 38 -2.928 10.515 -1.672 1.00 1.14 N ATOM 0 H ASN A 38 -2.221 5.959 -1.199 1.00 0.35 H new ATOM 0 HA ASN A 38 -2.954 8.506 0.005 1.00 0.44 H new ATOM 0 HB2 ASN A 38 -3.490 8.065 -2.768 1.00 0.54 H new ATOM 0 HB3 ASN A 38 -5.004 7.914 -1.899 1.00 0.54 H new ATOM 0 HD21 ASN A 38 -2.934 11.531 -1.584 1.00 1.14 H new ATOM 0 HD22 ASN A 38 -2.042 10.013 -1.729 1.00 1.14 H new ATOM 565 N VAL A 39 -4.049 6.825 1.490 1.00 0.37 N ATOM 566 CA VAL A 39 -4.776 5.952 2.404 1.00 0.39 C ATOM 567 C VAL A 39 -6.186 6.487 2.690 1.00 0.33 C ATOM 568 O VAL A 39 -6.369 7.694 2.820 1.00 0.43 O ATOM 569 CB VAL A 39 -3.908 5.726 3.652 1.00 0.66 C ATOM 570 CG1 VAL A 39 -3.775 6.966 4.547 1.00 0.81 C ATOM 571 CG2 VAL A 39 -4.424 4.552 4.476 1.00 0.82 C ATOM 0 H VAL A 39 -3.461 7.511 1.964 1.00 0.37 H new ATOM 0 HA VAL A 39 -4.953 4.976 1.951 1.00 0.39 H new ATOM 0 HB VAL A 39 -2.912 5.501 3.272 1.00 0.66 H new ATOM 0 HG11 VAL A 39 -3.149 6.729 5.407 1.00 0.81 H new ATOM 0 HG12 VAL A 39 -3.320 7.777 3.979 1.00 0.81 H new ATOM 0 HG13 VAL A 39 -4.762 7.274 4.891 1.00 0.81 H new ATOM 0 HG21 VAL A 39 -3.790 4.416 5.352 1.00 0.82 H new ATOM 0 HG22 VAL A 39 -5.447 4.753 4.795 1.00 0.82 H new ATOM 0 HG23 VAL A 39 -4.405 3.646 3.870 1.00 0.82 H new ATOM 581 N ASN A 40 -7.180 5.591 2.772 1.00 0.29 N ATOM 582 CA ASN A 40 -8.597 5.903 2.925 1.00 0.32 C ATOM 583 C ASN A 40 -9.266 4.989 3.952 1.00 0.31 C ATOM 584 O ASN A 40 -10.117 4.154 3.628 1.00 0.26 O ATOM 585 CB ASN A 40 -9.318 5.810 1.572 1.00 0.32 C ATOM 586 CG ASN A 40 -10.677 6.506 1.633 1.00 0.83 C ATOM 587 OD1 ASN A 40 -10.939 7.303 2.526 1.00 0.99 O ATOM 588 ND2 ASN A 40 -11.569 6.191 0.700 1.00 1.26 N ATOM 0 H ASN A 40 -7.004 4.587 2.731 1.00 0.29 H new ATOM 0 HA ASN A 40 -8.672 6.926 3.293 1.00 0.32 H new ATOM 0 HB2 ASN A 40 -8.705 6.267 0.796 1.00 0.32 H new ATOM 0 HB3 ASN A 40 -9.452 4.764 1.297 1.00 0.32 H new ATOM 0 HD21 ASN A 40 -12.496 6.616 0.717 1.00 1.26 H new ATOM 0 HD22 ASN A 40 -11.327 5.525 -0.033 1.00 1.26 H new ATOM 595 N LEU A 41 -8.911 5.172 5.224 1.00 0.40 N ATOM 596 CA LEU A 41 -9.493 4.390 6.308 1.00 0.44 C ATOM 597 C LEU A 41 -10.981 4.649 6.507 1.00 0.46 C ATOM 598 O LEU A 41 -11.658 3.820 7.103 1.00 0.47 O ATOM 599 CB LEU A 41 -8.740 4.621 7.615 1.00 0.58 C ATOM 600 CG LEU A 41 -7.287 4.150 7.526 1.00 0.66 C ATOM 601 CD1 LEU A 41 -6.680 4.268 8.920 1.00 0.78 C ATOM 602 CD2 LEU A 41 -7.186 2.695 7.058 1.00 0.66 C ATOM 0 H LEU A 41 -8.220 5.859 5.527 1.00 0.40 H new ATOM 0 HA LEU A 41 -9.391 3.346 6.012 1.00 0.44 H new ATOM 0 HB2 LEU A 41 -8.763 5.682 7.865 1.00 0.58 H new ATOM 0 HB3 LEU A 41 -9.245 4.092 8.423 1.00 0.58 H new ATOM 0 HG LEU A 41 -6.757 4.766 6.799 1.00 0.66 H new ATOM 0 HD11 LEU A 41 -5.641 3.939 8.893 1.00 0.78 H new ATOM 0 HD12 LEU A 41 -6.724 5.306 9.249 1.00 0.78 H new ATOM 0 HD13 LEU A 41 -7.241 3.643 9.615 1.00 0.78 H new ATOM 0 HD21 LEU A 41 -6.138 2.401 7.009 1.00 0.66 H new ATOM 0 HD22 LEU A 41 -7.711 2.049 7.762 1.00 0.66 H new ATOM 0 HD23 LEU A 41 -7.637 2.598 6.070 1.00 0.66 H new ATOM 614 N ALA A 42 -11.508 5.736 5.936 1.00 0.48 N ATOM 615 CA ALA A 42 -12.947 5.961 5.847 1.00 0.52 C ATOM 616 C ALA A 42 -13.651 4.793 5.145 1.00 0.47 C ATOM 617 O ALA A 42 -14.873 4.680 5.199 1.00 0.52 O ATOM 618 CB ALA A 42 -13.218 7.260 5.086 1.00 0.57 C ATOM 0 H ALA A 42 -10.947 6.482 5.524 1.00 0.48 H new ATOM 0 HA ALA A 42 -13.343 6.036 6.860 1.00 0.52 H new ATOM 0 HB1 ALA A 42 -14.293 7.426 5.021 1.00 0.57 H new ATOM 0 HB2 ALA A 42 -12.753 8.094 5.612 1.00 0.57 H new ATOM 0 HB3 ALA A 42 -12.801 7.187 4.082 1.00 0.57 H new ATOM 624 N THR A 43 -12.884 3.966 4.432 1.00 0.43 N ATOM 625 CA THR A 43 -13.361 2.795 3.725 1.00 0.40 C ATOM 626 C THR A 43 -12.396 1.620 3.956 1.00 0.32 C ATOM 627 O THR A 43 -12.374 0.681 3.164 1.00 0.30 O ATOM 628 CB THR A 43 -13.484 3.237 2.255 1.00 0.43 C ATOM 629 OG1 THR A 43 -14.239 4.435 2.204 1.00 0.58 O ATOM 630 CG2 THR A 43 -14.174 2.232 1.340 1.00 0.44 C ATOM 0 H THR A 43 -11.879 4.106 4.333 1.00 0.43 H new ATOM 0 HA THR A 43 -14.327 2.430 4.074 1.00 0.40 H new ATOM 0 HB THR A 43 -12.461 3.351 1.896 1.00 0.43 H new ATOM 0 HG1 THR A 43 -14.324 4.729 1.273 1.00 0.58 H new ATOM 0 HG21 THR A 43 -14.214 2.631 0.326 1.00 0.44 H new ATOM 0 HG22 THR A 43 -13.615 1.296 1.340 1.00 0.44 H new ATOM 0 HG23 THR A 43 -15.187 2.050 1.698 1.00 0.44 H new ATOM 638 N GLU A 44 -11.555 1.685 5.002 1.00 0.34 N ATOM 639 CA GLU A 44 -10.548 0.675 5.325 1.00 0.35 C ATOM 640 C GLU A 44 -9.720 0.269 4.097 1.00 0.30 C ATOM 641 O GLU A 44 -9.284 -0.877 3.974 1.00 0.40 O ATOM 642 CB GLU A 44 -11.215 -0.531 6.001 1.00 0.45 C ATOM 643 CG GLU A 44 -11.968 -0.128 7.281 1.00 0.48 C ATOM 644 CD GLU A 44 -13.480 -0.094 7.076 1.00 1.43 C ATOM 645 OE1 GLU A 44 -13.948 0.835 6.383 1.00 3.03 O ATOM 646 OE2 GLU A 44 -14.137 -1.008 7.616 1.00 1.88 O ATOM 0 H GLU A 44 -11.562 2.464 5.660 1.00 0.34 H new ATOM 0 HA GLU A 44 -9.839 1.111 6.029 1.00 0.35 H new ATOM 0 HB2 GLU A 44 -11.909 -1.000 5.304 1.00 0.45 H new ATOM 0 HB3 GLU A 44 -10.457 -1.275 6.245 1.00 0.45 H new ATOM 0 HG2 GLU A 44 -11.727 -0.831 8.078 1.00 0.48 H new ATOM 0 HG3 GLU A 44 -11.626 0.854 7.608 1.00 0.48 H new ATOM 653 N THR A 45 -9.509 1.222 3.186 1.00 0.28 N ATOM 654 CA THR A 45 -8.969 0.981 1.864 1.00 0.32 C ATOM 655 C THR A 45 -7.801 1.921 1.663 1.00 0.31 C ATOM 656 O THR A 45 -7.746 2.992 2.261 1.00 0.29 O ATOM 657 CB THR A 45 -10.081 1.158 0.813 1.00 0.36 C ATOM 658 OG1 THR A 45 -10.978 0.073 0.913 1.00 0.53 O ATOM 659 CG2 THR A 45 -9.601 1.203 -0.642 1.00 0.38 C ATOM 0 H THR A 45 -9.717 2.205 3.361 1.00 0.28 H new ATOM 0 HA THR A 45 -8.604 -0.040 1.754 1.00 0.32 H new ATOM 0 HB THR A 45 -10.533 2.125 1.035 1.00 0.36 H new ATOM 0 HG1 THR A 45 -11.585 0.219 1.669 1.00 0.53 H new ATOM 0 HG21 THR A 45 -10.458 1.330 -1.304 1.00 0.38 H new ATOM 0 HG22 THR A 45 -8.914 2.039 -0.773 1.00 0.38 H new ATOM 0 HG23 THR A 45 -9.089 0.272 -0.885 1.00 0.38 H new ATOM 667 N VAL A 46 -6.848 1.503 0.842 1.00 0.36 N ATOM 668 CA VAL A 46 -5.701 2.301 0.490 1.00 0.33 C ATOM 669 C VAL A 46 -5.490 2.228 -1.012 1.00 0.32 C ATOM 670 O VAL A 46 -5.731 1.183 -1.623 1.00 0.36 O ATOM 671 CB VAL A 46 -4.515 1.816 1.320 1.00 0.48 C ATOM 672 CG1 VAL A 46 -4.164 0.340 1.076 1.00 0.65 C ATOM 673 CG2 VAL A 46 -3.274 2.663 1.069 1.00 0.44 C ATOM 0 H VAL A 46 -6.858 0.584 0.399 1.00 0.36 H new ATOM 0 HA VAL A 46 -5.839 3.357 0.721 1.00 0.33 H new ATOM 0 HB VAL A 46 -4.833 1.920 2.357 1.00 0.48 H new ATOM 0 HG11 VAL A 46 -3.313 0.061 1.697 1.00 0.65 H new ATOM 0 HG12 VAL A 46 -5.020 -0.285 1.332 1.00 0.65 H new ATOM 0 HG13 VAL A 46 -3.910 0.195 0.026 1.00 0.65 H new ATOM 0 HG21 VAL A 46 -2.450 2.289 1.676 1.00 0.44 H new ATOM 0 HG22 VAL A 46 -3.003 2.607 0.015 1.00 0.44 H new ATOM 0 HG23 VAL A 46 -3.481 3.699 1.336 1.00 0.44 H new ATOM 683 N ASN A 47 -5.087 3.360 -1.594 1.00 0.29 N ATOM 684 CA ASN A 47 -4.776 3.492 -2.999 1.00 0.33 C ATOM 685 C ASN A 47 -3.303 3.846 -3.104 1.00 0.31 C ATOM 686 O ASN A 47 -2.805 4.610 -2.281 1.00 0.32 O ATOM 687 CB ASN A 47 -5.663 4.572 -3.629 1.00 0.38 C ATOM 688 CG ASN A 47 -5.414 4.748 -5.127 1.00 1.19 C ATOM 689 OD1 ASN A 47 -6.188 4.270 -5.947 1.00 2.57 O ATOM 690 ND2 ASN A 47 -4.360 5.466 -5.510 1.00 0.85 N ATOM 0 H ASN A 47 -4.968 4.230 -1.075 1.00 0.29 H new ATOM 0 HA ASN A 47 -4.969 2.565 -3.538 1.00 0.33 H new ATOM 0 HB2 ASN A 47 -6.710 4.315 -3.468 1.00 0.38 H new ATOM 0 HB3 ASN A 47 -5.486 5.521 -3.123 1.00 0.38 H new ATOM 0 HD21 ASN A 47 -4.185 5.626 -6.502 1.00 0.85 H new ATOM 0 HD22 ASN A 47 -3.727 5.856 -4.811 1.00 0.85 H new ATOM 697 N VAL A 48 -2.607 3.317 -4.106 1.00 0.33 N ATOM 698 CA VAL A 48 -1.237 3.712 -4.386 1.00 0.37 C ATOM 699 C VAL A 48 -0.956 3.590 -5.876 1.00 0.31 C ATOM 700 O VAL A 48 -1.446 2.672 -6.533 1.00 0.27 O ATOM 701 CB VAL A 48 -0.237 2.979 -3.469 1.00 0.41 C ATOM 702 CG1 VAL A 48 -0.334 1.456 -3.574 1.00 0.35 C ATOM 703 CG2 VAL A 48 1.213 3.391 -3.765 1.00 0.52 C ATOM 0 H VAL A 48 -2.976 2.608 -4.740 1.00 0.33 H new ATOM 0 HA VAL A 48 -1.097 4.765 -4.141 1.00 0.37 H new ATOM 0 HB VAL A 48 -0.511 3.277 -2.457 1.00 0.41 H new ATOM 0 HG11 VAL A 48 0.395 0.998 -2.905 1.00 0.35 H new ATOM 0 HG12 VAL A 48 -1.337 1.135 -3.293 1.00 0.35 H new ATOM 0 HG13 VAL A 48 -0.129 1.148 -4.599 1.00 0.35 H new ATOM 0 HG21 VAL A 48 1.887 2.853 -3.099 1.00 0.52 H new ATOM 0 HG22 VAL A 48 1.456 3.149 -4.800 1.00 0.52 H new ATOM 0 HG23 VAL A 48 1.326 4.464 -3.607 1.00 0.52 H new ATOM 713 N ILE A 49 -0.213 4.564 -6.399 1.00 0.33 N ATOM 714 CA ILE A 49 0.201 4.659 -7.786 1.00 0.28 C ATOM 715 C ILE A 49 1.648 4.174 -7.847 1.00 0.23 C ATOM 716 O ILE A 49 2.477 4.648 -7.063 1.00 0.31 O ATOM 717 CB ILE A 49 0.027 6.107 -8.287 1.00 0.35 C ATOM 718 CG1 ILE A 49 -1.433 6.577 -8.123 1.00 0.51 C ATOM 719 CG2 ILE A 49 0.419 6.209 -9.770 1.00 0.39 C ATOM 720 CD1 ILE A 49 -1.568 8.101 -8.139 1.00 1.01 C ATOM 0 H ILE A 49 0.130 5.342 -5.835 1.00 0.33 H new ATOM 0 HA ILE A 49 -0.410 4.041 -8.444 1.00 0.28 H new ATOM 0 HB ILE A 49 0.677 6.745 -7.688 1.00 0.35 H new ATOM 0 HG12 ILE A 49 -2.039 6.154 -8.925 1.00 0.51 H new ATOM 0 HG13 ILE A 49 -1.831 6.191 -7.185 1.00 0.51 H new ATOM 0 HG21 ILE A 49 0.291 7.237 -10.110 1.00 0.39 H new ATOM 0 HG22 ILE A 49 1.461 5.913 -9.892 1.00 0.39 H new ATOM 0 HG23 ILE A 49 -0.217 5.550 -10.361 1.00 0.39 H new ATOM 0 HD11 ILE A 49 -2.616 8.375 -8.020 1.00 1.01 H new ATOM 0 HD12 ILE A 49 -0.987 8.526 -7.321 1.00 1.01 H new ATOM 0 HD13 ILE A 49 -1.197 8.489 -9.088 1.00 1.01 H new ATOM 732 N TYR A 50 1.939 3.217 -8.734 1.00 0.18 N ATOM 733 CA TYR A 50 3.270 2.646 -8.908 1.00 0.14 C ATOM 734 C TYR A 50 3.476 2.198 -10.350 1.00 0.15 C ATOM 735 O TYR A 50 2.524 2.158 -11.135 1.00 0.19 O ATOM 736 CB TYR A 50 3.495 1.459 -7.956 1.00 0.17 C ATOM 737 CG TYR A 50 2.374 0.430 -7.939 1.00 0.20 C ATOM 738 CD1 TYR A 50 2.073 -0.323 -9.093 1.00 1.71 C ATOM 739 CD2 TYR A 50 1.681 0.165 -6.745 1.00 1.70 C ATOM 740 CE1 TYR A 50 1.106 -1.340 -9.048 1.00 1.73 C ATOM 741 CE2 TYR A 50 0.784 -0.916 -6.679 1.00 1.69 C ATOM 742 CZ TYR A 50 0.503 -1.674 -7.827 1.00 0.28 C ATOM 743 OH TYR A 50 -0.181 -2.849 -7.717 1.00 0.33 O ATOM 0 H TYR A 50 1.242 2.814 -9.360 1.00 0.18 H new ATOM 0 HA TYR A 50 3.997 3.422 -8.668 1.00 0.14 H new ATOM 0 HB2 TYR A 50 4.423 0.959 -8.235 1.00 0.17 H new ATOM 0 HB3 TYR A 50 3.631 1.843 -6.945 1.00 0.17 H new ATOM 0 HD1 TYR A 50 2.590 -0.116 -10.018 1.00 1.71 H new ATOM 0 HD2 TYR A 50 1.837 0.791 -5.879 1.00 1.70 H new ATOM 0 HE1 TYR A 50 0.828 -1.863 -9.951 1.00 1.73 H new ATOM 0 HE2 TYR A 50 0.309 -1.164 -5.741 1.00 1.69 H new ATOM 0 HH TYR A 50 -0.539 -2.935 -6.809 1.00 0.33 H new ATOM 753 N ASP A 51 4.719 1.824 -10.667 1.00 0.18 N ATOM 754 CA ASP A 51 5.150 1.414 -11.985 1.00 0.24 C ATOM 755 C ASP A 51 5.340 -0.107 -12.042 1.00 0.21 C ATOM 756 O ASP A 51 6.359 -0.594 -11.541 1.00 0.27 O ATOM 757 CB ASP A 51 6.468 2.132 -12.274 1.00 0.38 C ATOM 758 CG ASP A 51 6.899 1.941 -13.724 1.00 0.56 C ATOM 759 OD1 ASP A 51 6.309 1.059 -14.385 1.00 1.15 O ATOM 760 OD2 ASP A 51 7.818 2.671 -14.146 1.00 1.79 O ATOM 0 H ASP A 51 5.472 1.801 -9.980 1.00 0.18 H new ATOM 0 HA ASP A 51 4.400 1.674 -12.732 1.00 0.24 H new ATOM 0 HB2 ASP A 51 6.359 3.196 -12.062 1.00 0.38 H new ATOM 0 HB3 ASP A 51 7.244 1.753 -11.609 1.00 0.38 H new ATOM 765 N PRO A 52 4.446 -0.874 -12.694 1.00 0.28 N ATOM 766 CA PRO A 52 4.533 -2.330 -12.789 1.00 0.32 C ATOM 767 C PRO A 52 5.675 -2.813 -13.695 1.00 0.34 C ATOM 768 O PRO A 52 5.660 -3.960 -14.137 1.00 0.52 O ATOM 769 CB PRO A 52 3.157 -2.771 -13.299 1.00 0.49 C ATOM 770 CG PRO A 52 2.751 -1.609 -14.203 1.00 0.53 C ATOM 771 CD PRO A 52 3.314 -0.392 -13.469 1.00 0.39 C ATOM 0 HA PRO A 52 4.774 -2.774 -11.823 1.00 0.32 H new ATOM 0 HB2 PRO A 52 3.210 -3.712 -13.847 1.00 0.49 H new ATOM 0 HB3 PRO A 52 2.449 -2.917 -12.483 1.00 0.49 H new ATOM 0 HG2 PRO A 52 3.173 -1.709 -15.203 1.00 0.53 H new ATOM 0 HG3 PRO A 52 1.669 -1.546 -14.319 1.00 0.53 H new ATOM 0 HD2 PRO A 52 3.625 0.379 -14.174 1.00 0.39 H new ATOM 0 HD3 PRO A 52 2.560 0.055 -12.821 1.00 0.39 H new ATOM 779 N ALA A 53 6.683 -1.972 -13.935 1.00 0.29 N ATOM 780 CA ALA A 53 7.929 -2.362 -14.575 1.00 0.34 C ATOM 781 C ALA A 53 8.875 -2.873 -13.490 1.00 0.31 C ATOM 782 O ALA A 53 9.553 -3.882 -13.667 1.00 0.43 O ATOM 783 CB ALA A 53 8.518 -1.158 -15.315 1.00 0.40 C ATOM 0 H ALA A 53 6.650 -0.984 -13.683 1.00 0.29 H new ATOM 0 HA ALA A 53 7.767 -3.153 -15.308 1.00 0.34 H new ATOM 0 HB1 ALA A 53 9.452 -1.448 -15.796 1.00 0.40 H new ATOM 0 HB2 ALA A 53 7.812 -0.815 -16.071 1.00 0.40 H new ATOM 0 HB3 ALA A 53 8.710 -0.353 -14.606 1.00 0.40 H new ATOM 789 N GLU A 54 8.881 -2.170 -12.353 1.00 0.30 N ATOM 790 CA GLU A 54 9.636 -2.505 -11.158 1.00 0.34 C ATOM 791 C GLU A 54 8.713 -3.105 -10.093 1.00 0.33 C ATOM 792 O GLU A 54 9.010 -4.128 -9.478 1.00 0.55 O ATOM 793 CB GLU A 54 10.246 -1.212 -10.607 1.00 0.38 C ATOM 794 CG GLU A 54 11.430 -0.695 -11.432 1.00 0.53 C ATOM 795 CD GLU A 54 12.302 0.232 -10.592 1.00 1.52 C ATOM 796 OE1 GLU A 54 11.895 1.400 -10.415 1.00 2.76 O ATOM 797 OE2 GLU A 54 13.358 -0.253 -10.129 1.00 2.65 O ATOM 0 H GLU A 54 8.334 -1.316 -12.243 1.00 0.30 H new ATOM 0 HA GLU A 54 10.408 -3.233 -11.406 1.00 0.34 H new ATOM 0 HB2 GLU A 54 9.475 -0.442 -10.571 1.00 0.38 H new ATOM 0 HB3 GLU A 54 10.575 -1.383 -9.582 1.00 0.38 H new ATOM 0 HG2 GLU A 54 12.024 -1.535 -11.793 1.00 0.53 H new ATOM 0 HG3 GLU A 54 11.064 -0.163 -12.310 1.00 0.53 H new ATOM 804 N THR A 55 7.614 -2.396 -9.850 1.00 0.27 N ATOM 805 CA THR A 55 6.751 -2.441 -8.689 1.00 0.23 C ATOM 806 C THR A 55 5.268 -2.644 -8.914 1.00 0.31 C ATOM 807 O THR A 55 4.608 -1.885 -9.615 1.00 0.52 O ATOM 808 CB THR A 55 7.005 -1.217 -7.831 1.00 0.42 C ATOM 809 OG1 THR A 55 8.290 -1.369 -7.272 1.00 0.74 O ATOM 810 CG2 THR A 55 6.169 -1.191 -6.572 1.00 0.44 C ATOM 0 H THR A 55 7.280 -1.713 -10.530 1.00 0.27 H new ATOM 0 HA THR A 55 7.034 -3.365 -8.184 1.00 0.23 H new ATOM 0 HB THR A 55 6.821 -0.353 -8.470 1.00 0.42 H new ATOM 0 HG1 THR A 55 8.943 -0.880 -7.815 1.00 0.74 H new ATOM 0 HG21 THR A 55 6.398 -0.290 -6.002 1.00 0.44 H new ATOM 0 HG22 THR A 55 5.112 -1.194 -6.837 1.00 0.44 H new ATOM 0 HG23 THR A 55 6.394 -2.070 -5.968 1.00 0.44 H new ATOM 818 N GLY A 56 4.722 -3.584 -8.145 1.00 0.30 N ATOM 819 CA GLY A 56 3.329 -3.580 -7.794 1.00 0.54 C ATOM 820 C GLY A 56 3.117 -4.496 -6.598 1.00 0.38 C ATOM 821 O GLY A 56 4.062 -4.853 -5.890 1.00 0.27 O ATOM 0 H GLY A 56 5.247 -4.366 -7.754 1.00 0.30 H new ATOM 0 HA2 GLY A 56 3.004 -2.567 -7.555 1.00 0.54 H new ATOM 0 HA3 GLY A 56 2.727 -3.917 -8.638 1.00 0.54 H new ATOM 825 N THR A 57 1.855 -4.878 -6.424 1.00 0.41 N ATOM 826 CA THR A 57 1.307 -5.795 -5.439 1.00 0.34 C ATOM 827 C THR A 57 2.285 -6.911 -5.035 1.00 0.29 C ATOM 828 O THR A 57 2.467 -7.150 -3.846 1.00 0.29 O ATOM 829 CB THR A 57 -0.094 -6.249 -5.902 1.00 0.40 C ATOM 830 OG1 THR A 57 -0.546 -7.363 -5.177 1.00 0.56 O ATOM 831 CG2 THR A 57 -0.237 -6.524 -7.405 1.00 0.50 C ATOM 0 H THR A 57 1.121 -4.515 -7.032 1.00 0.41 H new ATOM 0 HA THR A 57 1.167 -5.279 -4.489 1.00 0.34 H new ATOM 0 HB THR A 57 -0.722 -5.383 -5.694 1.00 0.40 H new ATOM 0 HG1 THR A 57 -1.436 -7.622 -5.496 1.00 0.56 H new ATOM 0 HG21 THR A 57 -1.259 -6.836 -7.622 1.00 0.50 H new ATOM 0 HG22 THR A 57 -0.008 -5.617 -7.964 1.00 0.50 H new ATOM 0 HG23 THR A 57 0.454 -7.315 -7.698 1.00 0.50 H new ATOM 839 N ALA A 58 2.970 -7.548 -5.993 1.00 0.31 N ATOM 840 CA ALA A 58 4.005 -8.540 -5.707 1.00 0.30 C ATOM 841 C ALA A 58 5.000 -8.066 -4.637 1.00 0.27 C ATOM 842 O ALA A 58 5.214 -8.744 -3.635 1.00 0.29 O ATOM 843 CB ALA A 58 4.757 -8.886 -6.997 1.00 0.32 C ATOM 0 H ALA A 58 2.819 -7.387 -6.989 1.00 0.31 H new ATOM 0 HA ALA A 58 3.505 -9.424 -5.311 1.00 0.30 H new ATOM 0 HB1 ALA A 58 5.528 -9.626 -6.781 1.00 0.32 H new ATOM 0 HB2 ALA A 58 4.058 -9.293 -7.728 1.00 0.32 H new ATOM 0 HB3 ALA A 58 5.220 -7.986 -7.401 1.00 0.32 H new ATOM 849 N ALA A 59 5.644 -6.921 -4.875 1.00 0.24 N ATOM 850 CA ALA A 59 6.648 -6.387 -3.962 1.00 0.22 C ATOM 851 C ALA A 59 5.956 -5.824 -2.728 1.00 0.22 C ATOM 852 O ALA A 59 6.460 -5.874 -1.605 1.00 0.23 O ATOM 853 CB ALA A 59 7.483 -5.324 -4.679 1.00 0.21 C ATOM 0 H ALA A 59 5.483 -6.344 -5.701 1.00 0.24 H new ATOM 0 HA ALA A 59 7.325 -7.178 -3.640 1.00 0.22 H new ATOM 0 HB1 ALA A 59 8.232 -4.927 -3.994 1.00 0.21 H new ATOM 0 HB2 ALA A 59 7.979 -5.771 -5.540 1.00 0.21 H new ATOM 0 HB3 ALA A 59 6.833 -4.516 -5.014 1.00 0.21 H new ATOM 859 N ILE A 60 4.791 -5.233 -2.979 1.00 0.23 N ATOM 860 CA ILE A 60 4.045 -4.493 -1.997 1.00 0.23 C ATOM 861 C ILE A 60 3.582 -5.410 -0.866 1.00 0.24 C ATOM 862 O ILE A 60 3.931 -5.135 0.275 1.00 0.28 O ATOM 863 CB ILE A 60 2.986 -3.650 -2.731 1.00 0.25 C ATOM 864 CG1 ILE A 60 3.605 -2.266 -2.970 1.00 0.32 C ATOM 865 CG2 ILE A 60 1.647 -3.555 -1.996 1.00 0.28 C ATOM 866 CD1 ILE A 60 2.952 -1.481 -4.107 1.00 0.67 C ATOM 0 H ILE A 60 4.340 -5.263 -3.893 1.00 0.23 H new ATOM 0 HA ILE A 60 4.651 -3.765 -1.459 1.00 0.23 H new ATOM 0 HB ILE A 60 2.732 -4.139 -3.672 1.00 0.25 H new ATOM 0 HG12 ILE A 60 3.533 -1.683 -2.052 1.00 0.32 H new ATOM 0 HG13 ILE A 60 4.666 -2.387 -3.188 1.00 0.32 H new ATOM 0 HG21 ILE A 60 0.955 -2.945 -2.577 1.00 0.28 H new ATOM 0 HG22 ILE A 60 1.230 -4.554 -1.868 1.00 0.28 H new ATOM 0 HG23 ILE A 60 1.800 -3.098 -1.018 1.00 0.28 H new ATOM 0 HD11 ILE A 60 3.446 -0.515 -4.212 1.00 0.67 H new ATOM 0 HD12 ILE A 60 3.048 -2.041 -5.037 1.00 0.67 H new ATOM 0 HD13 ILE A 60 1.896 -1.327 -3.883 1.00 0.67 H new ATOM 878 N GLN A 61 2.871 -6.510 -1.141 1.00 0.23 N ATOM 879 CA GLN A 61 2.495 -7.460 -0.093 1.00 0.24 C ATOM 880 C GLN A 61 3.709 -7.836 0.759 1.00 0.23 C ATOM 881 O GLN A 61 3.657 -7.756 1.982 1.00 0.23 O ATOM 882 CB GLN A 61 1.900 -8.748 -0.671 1.00 0.29 C ATOM 883 CG GLN A 61 0.372 -8.785 -0.738 1.00 0.35 C ATOM 884 CD GLN A 61 -0.179 -8.174 -2.010 1.00 0.36 C ATOM 885 OE1 GLN A 61 -0.049 -6.862 -2.165 1.00 0.73 O flip ATOM 886 NE2 GLN A 61 -0.720 -8.887 -2.845 1.00 0.30 N flip ATOM 0 H GLN A 61 2.547 -6.761 -2.075 1.00 0.23 H new ATOM 0 HA GLN A 61 1.742 -6.962 0.518 1.00 0.24 H new ATOM 0 HB2 GLN A 61 2.296 -8.893 -1.676 1.00 0.29 H new ATOM 0 HB3 GLN A 61 2.242 -9.590 -0.069 1.00 0.29 H new ATOM 0 HG2 GLN A 61 0.035 -9.819 -0.663 1.00 0.35 H new ATOM 0 HG3 GLN A 61 -0.037 -8.253 0.121 1.00 0.35 H new ATOM 0 HE21 GLN A 61 -0.798 -9.891 -2.684 1.00 0.30 H new ATOM 0 HE22 GLN A 61 -1.093 -8.477 -3.701 1.00 0.30 H new ATOM 895 N GLU A 62 4.795 -8.236 0.093 1.00 0.23 N ATOM 896 CA GLU A 62 6.067 -8.561 0.725 1.00 0.23 C ATOM 897 C GLU A 62 6.452 -7.557 1.812 1.00 0.24 C ATOM 898 O GLU A 62 6.666 -7.918 2.970 1.00 0.28 O ATOM 899 CB GLU A 62 7.146 -8.689 -0.367 1.00 0.26 C ATOM 900 CG GLU A 62 8.057 -9.906 -0.194 1.00 0.36 C ATOM 901 CD GLU A 62 9.103 -9.668 0.891 1.00 1.17 C ATOM 902 OE1 GLU A 62 9.676 -8.553 0.884 1.00 2.36 O ATOM 903 OE2 GLU A 62 9.331 -10.585 1.703 1.00 1.81 O ATOM 0 H GLU A 62 4.810 -8.344 -0.921 1.00 0.23 H new ATOM 0 HA GLU A 62 5.972 -9.516 1.242 1.00 0.23 H new ATOM 0 HB2 GLU A 62 6.659 -8.746 -1.341 1.00 0.26 H new ATOM 0 HB3 GLU A 62 7.757 -7.786 -0.369 1.00 0.26 H new ATOM 0 HG2 GLU A 62 7.456 -10.779 0.063 1.00 0.36 H new ATOM 0 HG3 GLU A 62 8.554 -10.128 -1.138 1.00 0.36 H new ATOM 910 N LYS A 63 6.526 -6.276 1.455 1.00 0.24 N ATOM 911 CA LYS A 63 6.872 -5.273 2.437 1.00 0.26 C ATOM 912 C LYS A 63 5.746 -5.083 3.453 1.00 0.25 C ATOM 913 O LYS A 63 6.020 -4.971 4.645 1.00 0.27 O ATOM 914 CB LYS A 63 7.294 -3.983 1.726 1.00 0.29 C ATOM 915 CG LYS A 63 8.797 -3.734 1.930 1.00 0.30 C ATOM 916 CD LYS A 63 9.644 -4.820 1.238 1.00 0.37 C ATOM 917 CE LYS A 63 10.646 -5.472 2.201 1.00 0.82 C ATOM 918 NZ LYS A 63 11.311 -6.640 1.587 1.00 1.81 N ATOM 0 H LYS A 63 6.354 -5.922 0.514 1.00 0.24 H new ATOM 0 HA LYS A 63 7.729 -5.606 3.022 1.00 0.26 H new ATOM 0 HB2 LYS A 63 7.071 -4.056 0.662 1.00 0.29 H new ATOM 0 HB3 LYS A 63 6.722 -3.141 2.115 1.00 0.29 H new ATOM 0 HG2 LYS A 63 9.063 -2.754 1.532 1.00 0.30 H new ATOM 0 HG3 LYS A 63 9.024 -3.718 2.996 1.00 0.30 H new ATOM 0 HD2 LYS A 63 8.986 -5.586 0.827 1.00 0.37 H new ATOM 0 HD3 LYS A 63 10.182 -4.379 0.399 1.00 0.37 H new ATOM 0 HE2 LYS A 63 11.397 -4.739 2.497 1.00 0.82 H new ATOM 0 HE3 LYS A 63 10.129 -5.783 3.109 1.00 0.82 H new ATOM 0 HZ1 LYS A 63 12.201 -6.836 2.089 1.00 1.81 H new ATOM 0 HZ2 LYS A 63 10.686 -7.469 1.652 1.00 1.81 H new ATOM 0 HZ3 LYS A 63 11.515 -6.438 0.587 1.00 1.81 H new ATOM 932 N ILE A 64 4.488 -5.058 3.008 1.00 0.23 N ATOM 933 CA ILE A 64 3.339 -4.863 3.873 1.00 0.22 C ATOM 934 C ILE A 64 3.363 -5.880 5.036 1.00 0.21 C ATOM 935 O ILE A 64 3.160 -5.508 6.194 1.00 0.23 O ATOM 936 CB ILE A 64 2.037 -4.939 3.058 1.00 0.22 C ATOM 937 CG1 ILE A 64 1.871 -3.784 2.058 1.00 0.29 C ATOM 938 CG2 ILE A 64 0.851 -4.960 4.018 1.00 0.23 C ATOM 939 CD1 ILE A 64 1.331 -2.514 2.697 1.00 0.41 C ATOM 0 H ILE A 64 4.243 -5.175 2.025 1.00 0.23 H new ATOM 0 HA ILE A 64 3.386 -3.867 4.314 1.00 0.22 H new ATOM 0 HB ILE A 64 2.082 -5.854 2.467 1.00 0.22 H new ATOM 0 HG12 ILE A 64 2.835 -3.570 1.596 1.00 0.29 H new ATOM 0 HG13 ILE A 64 1.198 -4.096 1.260 1.00 0.29 H new ATOM 0 HG21 ILE A 64 -0.077 -5.014 3.449 1.00 0.23 H new ATOM 0 HG22 ILE A 64 0.927 -5.829 4.671 1.00 0.23 H new ATOM 0 HG23 ILE A 64 0.855 -4.052 4.621 1.00 0.23 H new ATOM 0 HD11 ILE A 64 1.237 -1.737 1.939 1.00 0.41 H new ATOM 0 HD12 ILE A 64 0.353 -2.714 3.135 1.00 0.41 H new ATOM 0 HD13 ILE A 64 2.016 -2.179 3.476 1.00 0.41 H new ATOM 951 N GLU A 65 3.647 -7.152 4.729 1.00 0.20 N ATOM 952 CA GLU A 65 3.826 -8.196 5.732 1.00 0.20 C ATOM 953 C GLU A 65 4.823 -7.734 6.800 1.00 0.26 C ATOM 954 O GLU A 65 4.520 -7.730 7.991 1.00 0.32 O ATOM 955 CB GLU A 65 4.261 -9.485 5.024 1.00 0.20 C ATOM 956 CG GLU A 65 3.060 -10.223 4.408 1.00 0.20 C ATOM 957 CD GLU A 65 2.370 -11.148 5.406 1.00 0.33 C ATOM 958 OE1 GLU A 65 3.090 -11.977 6.002 1.00 1.29 O ATOM 959 OE2 GLU A 65 1.133 -11.025 5.538 1.00 1.61 O ATOM 0 H GLU A 65 3.759 -7.482 3.770 1.00 0.20 H new ATOM 0 HA GLU A 65 2.891 -8.400 6.253 1.00 0.20 H new ATOM 0 HB2 GLU A 65 4.982 -9.246 4.243 1.00 0.20 H new ATOM 0 HB3 GLU A 65 4.766 -10.139 5.735 1.00 0.20 H new ATOM 0 HG2 GLU A 65 2.341 -9.493 4.036 1.00 0.20 H new ATOM 0 HG3 GLU A 65 3.396 -10.805 3.550 1.00 0.20 H new ATOM 966 N LYS A 66 6.008 -7.291 6.378 1.00 0.30 N ATOM 967 CA LYS A 66 7.074 -6.861 7.272 1.00 0.36 C ATOM 968 C LYS A 66 6.700 -5.606 8.071 1.00 0.37 C ATOM 969 O LYS A 66 7.067 -5.486 9.239 1.00 0.45 O ATOM 970 CB LYS A 66 8.347 -6.641 6.448 1.00 0.40 C ATOM 971 CG LYS A 66 9.585 -7.296 7.084 1.00 0.60 C ATOM 972 CD LYS A 66 10.006 -6.694 8.433 1.00 2.37 C ATOM 973 CE LYS A 66 10.571 -5.274 8.275 1.00 4.10 C ATOM 974 NZ LYS A 66 11.032 -4.713 9.563 1.00 5.64 N ATOM 0 H LYS A 66 6.254 -7.221 5.391 1.00 0.30 H new ATOM 0 HA LYS A 66 7.244 -7.643 8.012 1.00 0.36 H new ATOM 0 HB2 LYS A 66 8.201 -7.045 5.446 1.00 0.40 H new ATOM 0 HB3 LYS A 66 8.523 -5.571 6.337 1.00 0.40 H new ATOM 0 HG2 LYS A 66 9.387 -8.359 7.222 1.00 0.60 H new ATOM 0 HG3 LYS A 66 10.420 -7.215 6.388 1.00 0.60 H new ATOM 0 HD2 LYS A 66 9.147 -6.671 9.104 1.00 2.37 H new ATOM 0 HD3 LYS A 66 10.756 -7.334 8.898 1.00 2.37 H new ATOM 0 HE2 LYS A 66 11.402 -5.291 7.569 1.00 4.10 H new ATOM 0 HE3 LYS A 66 9.805 -4.625 7.850 1.00 4.10 H new ATOM 0 HZ1 LYS A 66 11.405 -3.754 9.410 1.00 5.64 H new ATOM 0 HZ2 LYS A 66 10.234 -4.672 10.229 1.00 5.64 H new ATOM 0 HZ3 LYS A 66 11.781 -5.318 9.957 1.00 5.64 H new ATOM 988 N LEU A 67 5.982 -4.658 7.460 1.00 0.33 N ATOM 989 CA LEU A 67 5.354 -3.549 8.160 1.00 0.33 C ATOM 990 C LEU A 67 4.444 -4.033 9.298 1.00 0.30 C ATOM 991 O LEU A 67 4.171 -3.263 10.216 1.00 0.32 O ATOM 992 CB LEU A 67 4.606 -2.689 7.130 1.00 0.30 C ATOM 993 CG LEU A 67 5.511 -1.715 6.357 1.00 0.47 C ATOM 994 CD1 LEU A 67 6.976 -2.109 6.116 1.00 2.20 C ATOM 995 CD2 LEU A 67 4.865 -1.384 5.008 1.00 1.56 C ATOM 0 H LEU A 67 5.823 -4.645 6.453 1.00 0.33 H new ATOM 0 HA LEU A 67 6.117 -2.939 8.644 1.00 0.33 H new ATOM 0 HB2 LEU A 67 4.104 -3.345 6.419 1.00 0.30 H new ATOM 0 HB3 LEU A 67 3.830 -2.120 7.641 1.00 0.30 H new ATOM 0 HG LEU A 67 5.582 -0.863 7.033 1.00 0.47 H new ATOM 0 HD11 LEU A 67 7.478 -1.318 5.559 1.00 2.20 H new ATOM 0 HD12 LEU A 67 7.476 -2.252 7.074 1.00 2.20 H new ATOM 0 HD13 LEU A 67 7.014 -3.036 5.544 1.00 2.20 H new ATOM 0 HD21 LEU A 67 5.505 -0.694 4.458 1.00 1.56 H new ATOM 0 HD22 LEU A 67 4.739 -2.300 4.431 1.00 1.56 H new ATOM 0 HD23 LEU A 67 3.892 -0.923 5.174 1.00 1.56 H new ATOM 1007 N GLY A 68 4.009 -5.297 9.271 1.00 0.30 N ATOM 1008 CA GLY A 68 3.312 -5.948 10.368 1.00 0.32 C ATOM 1009 C GLY A 68 1.812 -5.979 10.114 1.00 0.29 C ATOM 1010 O GLY A 68 1.032 -5.963 11.065 1.00 0.33 O ATOM 0 H GLY A 68 4.139 -5.905 8.462 1.00 0.30 H new ATOM 0 HA2 GLY A 68 3.686 -6.965 10.490 1.00 0.32 H new ATOM 0 HA3 GLY A 68 3.517 -5.420 11.299 1.00 0.32 H new ATOM 1014 N TYR A 69 1.404 -6.003 8.842 1.00 0.25 N ATOM 1015 CA TYR A 69 -0.003 -6.020 8.464 1.00 0.26 C ATOM 1016 C TYR A 69 -0.149 -6.908 7.247 1.00 0.23 C ATOM 1017 O TYR A 69 0.849 -7.295 6.654 1.00 0.24 O ATOM 1018 CB TYR A 69 -0.470 -4.602 8.128 1.00 0.28 C ATOM 1019 CG TYR A 69 -0.294 -3.621 9.263 1.00 0.31 C ATOM 1020 CD1 TYR A 69 0.958 -3.019 9.466 1.00 1.47 C ATOM 1021 CD2 TYR A 69 -1.377 -3.283 10.091 1.00 1.71 C ATOM 1022 CE1 TYR A 69 1.137 -2.100 10.508 1.00 1.47 C ATOM 1023 CE2 TYR A 69 -1.210 -2.323 11.103 1.00 1.75 C ATOM 1024 CZ TYR A 69 0.055 -1.757 11.333 1.00 0.46 C ATOM 1025 OH TYR A 69 0.214 -0.824 12.313 1.00 0.60 O ATOM 0 H TYR A 69 2.044 -6.011 8.048 1.00 0.25 H new ATOM 0 HA TYR A 69 -0.610 -6.398 9.286 1.00 0.26 H new ATOM 0 HB2 TYR A 69 0.083 -4.243 7.260 1.00 0.28 H new ATOM 0 HB3 TYR A 69 -1.522 -4.633 7.846 1.00 0.28 H new ATOM 0 HD1 TYR A 69 1.785 -3.265 8.817 1.00 1.47 H new ATOM 0 HD2 TYR A 69 -2.336 -3.760 9.950 1.00 1.71 H new ATOM 0 HE1 TYR A 69 2.107 -1.656 10.676 1.00 1.47 H new ATOM 0 HE2 TYR A 69 -2.054 -2.020 11.704 1.00 1.75 H new ATOM 0 HH TYR A 69 -0.655 -0.424 12.528 1.00 0.60 H new ATOM 1035 N HIS A 70 -1.386 -7.193 6.850 1.00 0.29 N ATOM 1036 CA HIS A 70 -1.651 -7.921 5.627 1.00 0.30 C ATOM 1037 C HIS A 70 -2.617 -7.072 4.814 1.00 0.27 C ATOM 1038 O HIS A 70 -3.642 -6.627 5.331 1.00 0.29 O ATOM 1039 CB HIS A 70 -2.158 -9.333 5.959 1.00 0.47 C ATOM 1040 CG HIS A 70 -3.396 -9.769 5.218 1.00 1.73 C ATOM 1041 ND1 HIS A 70 -3.561 -9.840 3.853 1.00 3.35 N ATOM 1042 CD2 HIS A 70 -4.593 -10.088 5.798 1.00 2.07 C ATOM 1043 CE1 HIS A 70 -4.831 -10.207 3.625 1.00 4.23 C ATOM 1044 NE2 HIS A 70 -5.504 -10.364 4.775 1.00 3.46 N ATOM 0 H HIS A 70 -2.223 -6.925 7.367 1.00 0.29 H new ATOM 0 HA HIS A 70 -0.757 -8.083 5.025 1.00 0.30 H new ATOM 0 HB2 HIS A 70 -1.360 -10.045 5.749 1.00 0.47 H new ATOM 0 HB3 HIS A 70 -2.359 -9.386 7.029 1.00 0.47 H new ATOM 0 HD1 HIS A 70 -2.850 -9.649 3.147 1.00 3.35 H new ATOM 0 HD2 HIS A 70 -4.798 -10.121 6.858 1.00 2.07 H new ATOM 0 HE1 HIS A 70 -5.256 -10.357 2.644 1.00 4.23 H new ATOM 1052 N VAL A 71 -2.271 -6.836 3.549 1.00 0.30 N ATOM 1053 CA VAL A 71 -3.173 -6.211 2.587 1.00 0.29 C ATOM 1054 C VAL A 71 -3.910 -7.297 1.790 1.00 0.34 C ATOM 1055 O VAL A 71 -3.315 -8.337 1.506 1.00 0.50 O ATOM 1056 CB VAL A 71 -2.408 -5.183 1.736 1.00 0.38 C ATOM 1057 CG1 VAL A 71 -1.410 -5.819 0.764 1.00 0.54 C ATOM 1058 CG2 VAL A 71 -3.355 -4.261 0.979 1.00 0.43 C ATOM 0 H VAL A 71 -1.357 -7.073 3.164 1.00 0.30 H new ATOM 0 HA VAL A 71 -3.951 -5.639 3.093 1.00 0.29 H new ATOM 0 HB VAL A 71 -1.832 -4.593 2.449 1.00 0.38 H new ATOM 0 HG11 VAL A 71 -0.906 -5.037 0.196 1.00 0.54 H new ATOM 0 HG12 VAL A 71 -0.672 -6.393 1.324 1.00 0.54 H new ATOM 0 HG13 VAL A 71 -1.940 -6.480 0.079 1.00 0.54 H new ATOM 0 HG21 VAL A 71 -2.776 -3.549 0.390 1.00 0.43 H new ATOM 0 HG22 VAL A 71 -3.986 -4.853 0.316 1.00 0.43 H new ATOM 0 HG23 VAL A 71 -3.981 -3.720 1.689 1.00 0.43 H new ATOM 1068 N VAL A 72 -5.196 -7.086 1.475 1.00 0.25 N ATOM 1069 CA VAL A 72 -5.956 -7.987 0.592 1.00 0.35 C ATOM 1070 C VAL A 72 -5.874 -7.472 -0.842 1.00 0.57 C ATOM 1071 O VAL A 72 -5.582 -6.301 -1.057 1.00 1.14 O ATOM 1072 CB VAL A 72 -7.445 -8.124 0.988 1.00 0.63 C ATOM 1073 CG1 VAL A 72 -7.718 -9.183 2.051 1.00 0.84 C ATOM 1074 CG2 VAL A 72 -8.071 -6.825 1.474 1.00 0.99 C ATOM 0 H VAL A 72 -5.736 -6.293 1.821 1.00 0.25 H new ATOM 0 HA VAL A 72 -5.505 -8.975 0.689 1.00 0.35 H new ATOM 0 HB VAL A 72 -7.905 -8.430 0.048 1.00 0.63 H new ATOM 0 HG11 VAL A 72 -8.786 -9.213 2.269 1.00 0.84 H new ATOM 0 HG12 VAL A 72 -7.395 -10.158 1.685 1.00 0.84 H new ATOM 0 HG13 VAL A 72 -7.169 -8.937 2.960 1.00 0.84 H new ATOM 0 HG21 VAL A 72 -9.115 -6.999 1.733 1.00 0.99 H new ATOM 0 HG22 VAL A 72 -7.533 -6.468 2.353 1.00 0.99 H new ATOM 0 HG23 VAL A 72 -8.013 -6.076 0.685 1.00 0.99 H new ATOM 1084 N ILE A 73 -6.172 -8.339 -1.815 1.00 0.42 N ATOM 1085 CA ILE A 73 -6.318 -7.989 -3.219 1.00 0.50 C ATOM 1086 C ILE A 73 -7.690 -8.472 -3.685 1.00 0.57 C ATOM 1087 O ILE A 73 -7.840 -9.604 -4.138 1.00 0.81 O ATOM 1088 CB ILE A 73 -5.173 -8.610 -4.039 1.00 0.79 C ATOM 1089 CG1 ILE A 73 -3.791 -8.212 -3.492 1.00 1.05 C ATOM 1090 CG2 ILE A 73 -5.284 -8.235 -5.524 1.00 0.96 C ATOM 1091 CD1 ILE A 73 -3.460 -6.726 -3.671 1.00 0.63 C ATOM 0 H ILE A 73 -6.321 -9.332 -1.635 1.00 0.42 H new ATOM 0 HA ILE A 73 -6.257 -6.910 -3.362 1.00 0.50 H new ATOM 0 HB ILE A 73 -5.271 -9.692 -3.945 1.00 0.79 H new ATOM 0 HG12 ILE A 73 -3.745 -8.460 -2.432 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -3.027 -8.808 -3.992 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -4.461 -8.689 -6.076 1.00 0.96 H new ATOM 0 HG22 ILE A 73 -6.232 -8.599 -5.921 1.00 0.96 H new ATOM 0 HG23 ILE A 73 -5.238 -7.151 -5.630 1.00 0.96 H new ATOM 0 HD11 ILE A 73 -2.471 -6.522 -3.261 1.00 0.63 H new ATOM 0 HD12 ILE A 73 -3.472 -6.476 -4.732 1.00 0.63 H new ATOM 0 HD13 ILE A 73 -4.201 -6.122 -3.147 1.00 0.63 H new ATOM 1103 N GLU A 74 -8.691 -7.601 -3.561 1.00 0.82 N ATOM 1104 CA GLU A 74 -10.014 -7.773 -4.135 1.00 1.18 C ATOM 1105 C GLU A 74 -10.467 -6.365 -4.511 1.00 1.59 C ATOM 1106 O GLU A 74 -10.544 -5.521 -3.623 1.00 1.97 O ATOM 1107 CB GLU A 74 -10.952 -8.410 -3.095 1.00 1.61 C ATOM 1108 CG GLU A 74 -12.249 -8.914 -3.742 1.00 2.68 C ATOM 1109 CD GLU A 74 -13.281 -9.319 -2.696 1.00 3.35 C ATOM 1110 OE1 GLU A 74 -12.904 -10.109 -1.804 1.00 3.63 O ATOM 1111 OE2 GLU A 74 -14.426 -8.835 -2.817 1.00 4.51 O ATOM 0 H GLU A 74 -8.594 -6.729 -3.040 1.00 0.82 H new ATOM 0 HA GLU A 74 -10.019 -8.433 -5.003 1.00 1.18 H new ATOM 0 HB2 GLU A 74 -10.443 -9.239 -2.604 1.00 1.61 H new ATOM 0 HB3 GLU A 74 -11.190 -7.679 -2.322 1.00 1.61 H new ATOM 0 HG2 GLU A 74 -12.664 -8.134 -4.380 1.00 2.68 H new ATOM 0 HG3 GLU A 74 -12.028 -9.767 -4.384 1.00 2.68 H new ATOM 1118 N GLY A 75 -10.698 -6.065 -5.791 1.00 2.31 N ATOM 1119 CA GLY A 75 -11.179 -4.741 -6.169 1.00 3.19 C ATOM 1120 C GLY A 75 -10.825 -4.354 -7.600 1.00 3.58 C ATOM 1121 O GLY A 75 -11.689 -3.867 -8.332 1.00 4.55 O ATOM 0 H GLY A 75 -10.562 -6.711 -6.569 1.00 2.31 H new ATOM 0 HA2 GLY A 75 -12.262 -4.708 -6.049 1.00 3.19 H new ATOM 0 HA3 GLY A 75 -10.760 -4.002 -5.486 1.00 3.19 H new ATOM 1125 N ARG A 76 -9.555 -4.517 -7.979 1.00 3.48 N ATOM 1126 CA ARG A 76 -8.999 -4.206 -9.285 1.00 4.14 C ATOM 1127 C ARG A 76 -8.101 -5.387 -9.636 1.00 4.27 C ATOM 1128 O ARG A 76 -7.654 -6.041 -8.666 1.00 4.72 O ATOM 1129 CB ARG A 76 -8.172 -2.908 -9.202 1.00 5.32 C ATOM 1130 CG ARG A 76 -7.779 -2.305 -10.566 1.00 6.44 C ATOM 1131 CD ARG A 76 -8.720 -1.206 -11.096 1.00 7.10 C ATOM 1132 NE ARG A 76 -9.987 -1.743 -11.622 1.00 6.92 N ATOM 1133 CZ ARG A 76 -11.087 -2.010 -10.899 1.00 7.39 C ATOM 1134 NH1 ARG A 76 -11.141 -1.670 -9.613 1.00 8.01 N ATOM 1135 NH2 ARG A 76 -12.122 -2.648 -11.456 1.00 8.04 N ATOM 1136 OXT ARG A 76 -7.884 -5.602 -10.848 1.00 4.89 O ATOM 0 H ARG A 76 -8.852 -4.891 -7.341 1.00 3.48 H new ATOM 0 HA ARG A 76 -9.773 -4.053 -10.037 1.00 4.14 H new ATOM 0 HB2 ARG A 76 -8.742 -2.166 -8.643 1.00 5.32 H new ATOM 0 HB3 ARG A 76 -7.264 -3.108 -8.633 1.00 5.32 H new ATOM 0 HG2 ARG A 76 -6.774 -1.892 -10.486 1.00 6.44 H new ATOM 0 HG3 ARG A 76 -7.736 -3.109 -11.301 1.00 6.44 H new ATOM 0 HD2 ARG A 76 -8.935 -0.500 -10.293 1.00 7.10 H new ATOM 0 HD3 ARG A 76 -8.213 -0.648 -11.883 1.00 7.10 H new ATOM 0 HE ARG A 76 -10.033 -1.928 -12.624 1.00 6.92 H new ATOM 0 HH11 ARG A 76 -10.346 -1.206 -9.174 1.00 8.01 H new ATOM 0 HH12 ARG A 76 -11.978 -1.874 -9.066 1.00 8.01 H new ATOM 0 HH21 ARG A 76 -12.078 -2.934 -12.434 1.00 8.04 H new ATOM 0 HH22 ARG A 76 -12.955 -2.848 -10.903 1.00 8.04 H new TER 1150 ARG A 76