USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 555 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 13 THR OG1 : rot 150:sc= 0.175 USER MOD Set 1.2: A 14 CYS SG : rot -41:sc= 0.532 USER MOD Set 1.3: A 17 CYS SG : rot 160:sc= 0.256 USER MOD Set 2.1: A 4 LYS NZ :NH3+ 147:sc= 0.428 (180deg=0.796) USER MOD Set 2.2: A 6 TYR OH : rot 12:sc= 0.755 USER MOD Single : A 2 SER OG : rot -22:sc= 0.508 USER MOD Single : A 3 SER OG : rot 180:sc= -0.082 USER MOD Single : A 5 CYS SG : rot 108:sc= -1.4 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 10 THR OG1 : rot -72:sc= 0.66 USER MOD Single : A 12 MET CE :methyl -163:sc= -0.0176 (180deg=-0.753) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -3.62 K(o=-3.6,f=-0.36) USER MOD Single : A 24 ASN : amide:sc= -0.595 X(o=-0.59,f=-0.5) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -93:sc= 0.966 USER MOD Single : A 39 MET CE :methyl -174:sc= 0 (180deg=-0.0626) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -30:sc= 1.25 USER MOD Single : A 48 ASN : amide:sc= -0.0163 K(o=-0.016,f=-1.1) USER MOD Single : A 53 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.41) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -0.471 13.383 -9.240 1.00 2.19 N ATOM 18 CA SER A 2 -0.709 12.497 -8.117 1.00 1.72 C ATOM 19 C SER A 2 -2.143 11.957 -8.133 1.00 1.83 C ATOM 20 O SER A 2 -3.030 12.541 -8.757 1.00 2.79 O ATOM 21 CB SER A 2 -0.417 13.272 -6.830 1.00 1.75 C ATOM 22 OG SER A 2 -0.942 14.585 -6.942 1.00 2.55 O ATOM 0 HA SER A 2 -0.051 11.630 -8.181 1.00 1.72 H new ATOM 0 HB2 SER A 2 -0.863 12.762 -5.976 1.00 1.75 H new ATOM 0 HB3 SER A 2 0.658 13.312 -6.652 1.00 1.75 H new ATOM 0 HG SER A 2 -1.053 14.813 -7.889 1.00 2.55 H new ATOM 28 N SER A 3 -2.383 10.855 -7.425 1.00 0.97 N ATOM 29 CA SER A 3 -3.703 10.277 -7.218 1.00 0.87 C ATOM 30 C SER A 3 -3.695 9.582 -5.855 1.00 0.55 C ATOM 31 O SER A 3 -2.644 9.535 -5.209 1.00 0.54 O ATOM 32 CB SER A 3 -4.031 9.322 -8.373 1.00 1.11 C ATOM 33 OG SER A 3 -3.867 9.991 -9.611 1.00 1.85 O ATOM 0 H SER A 3 -1.640 10.326 -6.967 1.00 0.97 H new ATOM 0 HA SER A 3 -4.484 11.037 -7.213 1.00 0.87 H new ATOM 0 HB2 SER A 3 -3.379 8.449 -8.332 1.00 1.11 H new ATOM 0 HB3 SER A 3 -5.055 8.960 -8.278 1.00 1.11 H new ATOM 0 HG SER A 3 -4.076 9.376 -10.345 1.00 1.85 H new ATOM 39 N LYS A 4 -4.842 9.066 -5.400 1.00 0.70 N ATOM 40 CA LYS A 4 -4.947 8.335 -4.144 1.00 0.63 C ATOM 41 C LYS A 4 -5.941 7.191 -4.339 1.00 0.75 C ATOM 42 O LYS A 4 -6.902 7.365 -5.086 1.00 1.09 O ATOM 43 CB LYS A 4 -5.263 9.300 -2.977 1.00 1.19 C ATOM 44 CG LYS A 4 -6.663 9.175 -2.358 1.00 1.22 C ATOM 45 CD LYS A 4 -6.864 10.311 -1.343 1.00 1.99 C ATOM 46 CE LYS A 4 -8.281 10.371 -0.754 1.00 2.91 C ATOM 47 NZ LYS A 4 -8.548 9.268 0.191 1.00 3.44 N ATOM 0 H LYS A 4 -5.727 9.148 -5.901 1.00 0.70 H new ATOM 0 HA LYS A 4 -3.999 7.879 -3.859 1.00 0.63 H new ATOM 0 HB2 LYS A 4 -4.525 9.141 -2.191 1.00 1.19 H new ATOM 0 HB3 LYS A 4 -5.135 10.322 -3.333 1.00 1.19 H new ATOM 0 HG2 LYS A 4 -7.425 9.226 -3.136 1.00 1.22 H new ATOM 0 HG3 LYS A 4 -6.773 8.208 -1.867 1.00 1.22 H new ATOM 0 HD2 LYS A 4 -6.147 10.191 -0.530 1.00 1.99 H new ATOM 0 HD3 LYS A 4 -6.641 11.262 -1.827 1.00 1.99 H new ATOM 0 HE2 LYS A 4 -8.419 11.324 -0.243 1.00 2.91 H new ATOM 0 HE3 LYS A 4 -9.009 10.335 -1.564 1.00 2.91 H new ATOM 0 HZ1 LYS A 4 -9.190 9.599 0.939 1.00 3.44 H new ATOM 0 HZ2 LYS A 4 -8.988 8.474 -0.317 1.00 3.44 H new ATOM 0 HZ3 LYS A 4 -7.654 8.952 0.618 1.00 3.44 H new ATOM 61 N CYS A 5 -5.680 6.029 -3.728 1.00 0.75 N ATOM 62 CA CYS A 5 -6.332 4.771 -4.090 1.00 0.78 C ATOM 63 C CYS A 5 -6.658 3.946 -2.846 1.00 0.84 C ATOM 64 O CYS A 5 -6.004 4.124 -1.820 1.00 0.95 O ATOM 65 CB CYS A 5 -5.412 3.972 -5.017 1.00 0.93 C ATOM 66 SG CYS A 5 -6.357 2.686 -5.824 1.00 1.36 S ATOM 0 H CYS A 5 -5.008 5.938 -2.966 1.00 0.75 H new ATOM 0 HA CYS A 5 -7.267 4.997 -4.602 1.00 0.78 H new ATOM 0 HB2 CYS A 5 -4.965 4.631 -5.761 1.00 0.93 H new ATOM 0 HB3 CYS A 5 -4.593 3.534 -4.446 1.00 0.93 H new ATOM 0 HG CYS A 5 -6.532 2.996 -7.074 1.00 1.36 H new ATOM 72 N TYR A 6 -7.653 3.056 -2.929 1.00 0.83 N ATOM 73 CA TYR A 6 -8.118 2.218 -1.832 1.00 0.97 C ATOM 74 C TYR A 6 -7.726 0.775 -2.117 1.00 1.08 C ATOM 75 O TYR A 6 -8.525 -0.023 -2.585 1.00 2.01 O ATOM 76 CB TYR A 6 -9.638 2.364 -1.673 1.00 1.03 C ATOM 77 CG TYR A 6 -10.022 3.645 -0.971 1.00 0.98 C ATOM 78 CD1 TYR A 6 -10.022 3.681 0.434 1.00 2.05 C ATOM 79 CD2 TYR A 6 -10.176 4.836 -1.704 1.00 2.01 C ATOM 80 CE1 TYR A 6 -10.145 4.906 1.105 1.00 2.14 C ATOM 81 CE2 TYR A 6 -10.295 6.064 -1.031 1.00 2.18 C ATOM 82 CZ TYR A 6 -10.249 6.100 0.373 1.00 1.42 C ATOM 83 OH TYR A 6 -10.153 7.299 1.014 1.00 1.89 O ATOM 0 H TYR A 6 -8.171 2.898 -3.794 1.00 0.83 H new ATOM 0 HA TYR A 6 -7.655 2.529 -0.895 1.00 0.97 H new ATOM 0 HB2 TYR A 6 -10.108 2.336 -2.656 1.00 1.03 H new ATOM 0 HB3 TYR A 6 -10.025 1.514 -1.111 1.00 1.03 H new ATOM 0 HD1 TYR A 6 -9.927 2.764 0.997 1.00 2.05 H new ATOM 0 HD2 TYR A 6 -10.203 4.807 -2.783 1.00 2.01 H new ATOM 0 HE1 TYR A 6 -10.160 4.931 2.185 1.00 2.14 H new ATOM 0 HE2 TYR A 6 -10.422 6.978 -1.592 1.00 2.18 H new ATOM 0 HH TYR A 6 -9.827 7.157 1.927 1.00 1.89 H new ATOM 93 N ILE A 7 -6.501 0.399 -1.784 1.00 0.76 N ATOM 94 CA ILE A 7 -6.012 -0.940 -2.055 1.00 0.75 C ATOM 95 C ILE A 7 -6.603 -1.846 -0.973 1.00 0.86 C ATOM 96 O ILE A 7 -6.679 -1.454 0.195 1.00 1.13 O ATOM 97 CB ILE A 7 -4.470 -0.953 -2.021 1.00 0.67 C ATOM 98 CG1 ILE A 7 -3.848 0.129 -2.921 1.00 1.12 C ATOM 99 CG2 ILE A 7 -3.916 -2.331 -2.410 1.00 0.70 C ATOM 100 CD1 ILE A 7 -2.333 0.205 -2.719 1.00 1.64 C ATOM 0 H ILE A 7 -5.825 1.008 -1.323 1.00 0.76 H new ATOM 0 HA ILE A 7 -6.310 -1.288 -3.044 1.00 0.75 H new ATOM 0 HB ILE A 7 -4.189 -0.731 -0.992 1.00 0.67 H new ATOM 0 HG12 ILE A 7 -4.069 -0.091 -3.966 1.00 1.12 H new ATOM 0 HG13 ILE A 7 -4.297 1.096 -2.697 1.00 1.12 H new ATOM 0 HG21 ILE A 7 -2.827 -2.308 -2.377 1.00 0.70 H new ATOM 0 HG22 ILE A 7 -4.285 -3.082 -1.711 1.00 0.70 H new ATOM 0 HG23 ILE A 7 -4.243 -2.583 -3.419 1.00 0.70 H new ATOM 0 HD11 ILE A 7 -1.918 0.977 -3.367 1.00 1.64 H new ATOM 0 HD12 ILE A 7 -2.116 0.449 -1.679 1.00 1.64 H new ATOM 0 HD13 ILE A 7 -1.884 -0.757 -2.967 1.00 1.64 H new ATOM 112 N GLN A 8 -7.041 -3.049 -1.353 1.00 0.80 N ATOM 113 CA GLN A 8 -7.391 -4.090 -0.395 1.00 0.83 C ATOM 114 C GLN A 8 -6.259 -5.111 -0.405 1.00 0.94 C ATOM 115 O GLN A 8 -5.751 -5.454 -1.473 1.00 1.13 O ATOM 116 CB GLN A 8 -8.765 -4.694 -0.699 1.00 1.02 C ATOM 117 CG GLN A 8 -8.722 -5.609 -1.915 1.00 2.32 C ATOM 118 CD GLN A 8 -10.118 -5.962 -2.414 1.00 3.93 C ATOM 119 OE1 GLN A 8 -10.519 -5.557 -3.498 1.00 5.48 O ATOM 120 NE2 GLN A 8 -10.874 -6.721 -1.626 1.00 4.18 N ATOM 0 H GLN A 8 -7.161 -3.324 -2.328 1.00 0.80 H new ATOM 0 HA GLN A 8 -7.491 -3.682 0.611 1.00 0.83 H new ATOM 0 HB2 GLN A 8 -9.115 -5.256 0.167 1.00 1.02 H new ATOM 0 HB3 GLN A 8 -9.484 -3.893 -0.871 1.00 1.02 H new ATOM 0 HG2 GLN A 8 -8.163 -5.123 -2.715 1.00 2.32 H new ATOM 0 HG3 GLN A 8 -8.186 -6.523 -1.662 1.00 2.32 H new ATOM 0 HE21 GLN A 8 -10.512 -7.043 -0.728 1.00 4.18 H new ATOM 0 HE22 GLN A 8 -11.816 -6.981 -1.919 1.00 4.18 H new ATOM 129 N VAL A 9 -5.848 -5.545 0.786 1.00 0.95 N ATOM 130 CA VAL A 9 -4.641 -6.329 1.014 1.00 1.05 C ATOM 131 C VAL A 9 -4.988 -7.527 1.892 1.00 1.06 C ATOM 132 O VAL A 9 -5.258 -7.363 3.078 1.00 1.14 O ATOM 133 CB VAL A 9 -3.557 -5.440 1.652 1.00 1.15 C ATOM 134 CG1 VAL A 9 -2.251 -6.225 1.823 1.00 2.46 C ATOM 135 CG2 VAL A 9 -3.271 -4.195 0.802 1.00 3.00 C ATOM 0 H VAL A 9 -6.365 -5.353 1.644 1.00 0.95 H new ATOM 0 HA VAL A 9 -4.243 -6.702 0.071 1.00 1.05 H new ATOM 0 HB VAL A 9 -3.936 -5.125 2.624 1.00 1.15 H new ATOM 0 HG11 VAL A 9 -1.496 -5.582 2.275 1.00 2.46 H new ATOM 0 HG12 VAL A 9 -2.426 -7.087 2.467 1.00 2.46 H new ATOM 0 HG13 VAL A 9 -1.901 -6.566 0.849 1.00 2.46 H new ATOM 0 HG21 VAL A 9 -2.501 -3.593 1.285 1.00 3.00 H new ATOM 0 HG22 VAL A 9 -2.926 -4.500 -0.186 1.00 3.00 H new ATOM 0 HG23 VAL A 9 -4.182 -3.606 0.702 1.00 3.00 H new ATOM 145 N THR A 10 -4.984 -8.734 1.324 1.00 1.56 N ATOM 146 CA THR A 10 -5.315 -9.944 2.066 1.00 1.62 C ATOM 147 C THR A 10 -4.346 -10.158 3.240 1.00 1.59 C ATOM 148 O THR A 10 -3.228 -10.634 3.058 1.00 1.96 O ATOM 149 CB THR A 10 -5.386 -11.159 1.126 1.00 1.85 C ATOM 150 OG1 THR A 10 -4.272 -11.219 0.262 1.00 2.50 O ATOM 151 CG2 THR A 10 -6.650 -11.105 0.263 1.00 3.15 C ATOM 0 H THR A 10 -4.753 -8.896 0.344 1.00 1.56 H new ATOM 0 HA THR A 10 -6.307 -9.823 2.502 1.00 1.62 H new ATOM 0 HB THR A 10 -5.398 -12.043 1.764 1.00 1.85 H new ATOM 0 HG1 THR A 10 -4.344 -10.513 -0.414 1.00 2.50 H new ATOM 0 HG21 THR A 10 -6.679 -11.974 -0.394 1.00 3.15 H new ATOM 0 HG22 THR A 10 -7.530 -11.107 0.906 1.00 3.15 H new ATOM 0 HG23 THR A 10 -6.642 -10.196 -0.338 1.00 3.15 H new ATOM 159 N GLY A 11 -4.781 -9.772 4.445 1.00 1.66 N ATOM 160 CA GLY A 11 -4.029 -9.906 5.688 1.00 1.65 C ATOM 161 C GLY A 11 -3.576 -8.552 6.205 1.00 1.64 C ATOM 162 O GLY A 11 -3.377 -8.382 7.406 1.00 2.14 O ATOM 0 H GLY A 11 -5.697 -9.344 4.581 1.00 1.66 H new ATOM 0 HA2 GLY A 11 -4.648 -10.396 6.439 1.00 1.65 H new ATOM 0 HA3 GLY A 11 -3.161 -10.544 5.524 1.00 1.65 H new ATOM 166 N MET A 12 -3.378 -7.608 5.281 1.00 2.35 N ATOM 167 CA MET A 12 -2.696 -6.336 5.461 1.00 3.18 C ATOM 168 C MET A 12 -1.218 -6.623 5.713 1.00 4.67 C ATOM 169 O MET A 12 -0.360 -6.316 4.890 1.00 6.01 O ATOM 170 CB MET A 12 -3.331 -5.462 6.557 1.00 3.14 C ATOM 171 CG MET A 12 -4.740 -4.970 6.171 1.00 2.81 C ATOM 172 SD MET A 12 -6.076 -6.186 5.922 1.00 3.35 S ATOM 173 CE MET A 12 -6.374 -6.830 7.584 1.00 3.46 C ATOM 0 H MET A 12 -3.715 -7.726 4.325 1.00 2.35 H new ATOM 0 HA MET A 12 -2.800 -5.741 4.554 1.00 3.18 H new ATOM 0 HB2 MET A 12 -3.389 -6.032 7.484 1.00 3.14 H new ATOM 0 HB3 MET A 12 -2.689 -4.603 6.750 1.00 3.14 H new ATOM 0 HG2 MET A 12 -5.068 -4.277 6.946 1.00 2.81 H new ATOM 0 HG3 MET A 12 -4.645 -4.395 5.250 1.00 2.81 H new ATOM 0 HE1 MET A 12 -6.931 -7.765 7.518 1.00 3.46 H new ATOM 0 HE2 MET A 12 -5.421 -7.010 8.081 1.00 3.46 H new ATOM 0 HE3 MET A 12 -6.951 -6.104 8.157 1.00 3.46 H new ATOM 183 N THR A 13 -0.958 -7.266 6.845 1.00 4.70 N ATOM 184 CA THR A 13 0.253 -7.995 7.138 1.00 6.06 C ATOM 185 C THR A 13 -0.151 -9.027 8.189 1.00 4.67 C ATOM 186 O THR A 13 -0.847 -9.982 7.846 1.00 5.49 O ATOM 187 CB THR A 13 1.410 -7.037 7.471 1.00 7.95 C ATOM 188 OG1 THR A 13 2.382 -7.623 8.305 1.00 8.82 O ATOM 189 CG2 THR A 13 0.966 -5.737 8.145 1.00 8.29 C ATOM 0 H THR A 13 -1.624 -7.289 7.617 1.00 4.70 H new ATOM 0 HA THR A 13 0.676 -8.539 6.294 1.00 6.06 H new ATOM 0 HB THR A 13 1.832 -6.810 6.492 1.00 7.95 H new ATOM 0 HG1 THR A 13 3.258 -7.228 8.114 1.00 8.82 H new ATOM 0 HG21 THR A 13 1.838 -5.116 8.348 1.00 8.29 H new ATOM 0 HG22 THR A 13 0.283 -5.200 7.486 1.00 8.29 H new ATOM 0 HG23 THR A 13 0.459 -5.968 9.082 1.00 8.29 H new ATOM 197 N CYS A 14 0.191 -8.801 9.457 1.00 3.00 N ATOM 198 CA CYS A 14 -0.205 -9.674 10.554 1.00 1.71 C ATOM 199 C CYS A 14 -0.461 -8.873 11.844 1.00 1.44 C ATOM 200 O CYS A 14 -0.225 -9.369 12.943 1.00 2.30 O ATOM 201 CB CYS A 14 0.841 -10.792 10.702 1.00 2.21 C ATOM 202 SG CYS A 14 2.534 -10.148 10.535 1.00 3.37 S ATOM 0 H CYS A 14 0.753 -8.002 9.750 1.00 3.00 H new ATOM 0 HA CYS A 14 -1.160 -10.151 10.334 1.00 1.71 H new ATOM 0 HB2 CYS A 14 0.727 -11.272 11.674 1.00 2.21 H new ATOM 0 HB3 CYS A 14 0.666 -11.558 9.946 1.00 2.21 H new ATOM 0 HG CYS A 14 2.572 -9.270 9.577 1.00 3.37 H new ATOM 207 N ALA A 15 -1.013 -7.660 11.693 1.00 2.08 N ATOM 208 CA ALA A 15 -1.371 -6.712 12.752 1.00 2.69 C ATOM 209 C ALA A 15 -0.154 -5.914 13.233 1.00 2.15 C ATOM 210 O ALA A 15 0.908 -6.481 13.452 1.00 2.40 O ATOM 211 CB ALA A 15 -2.112 -7.376 13.921 1.00 3.79 C ATOM 0 H ALA A 15 -1.234 -7.294 10.767 1.00 2.08 H new ATOM 0 HA ALA A 15 -2.072 -6.007 12.307 1.00 2.69 H new ATOM 0 HB1 ALA A 15 -2.351 -6.625 14.674 1.00 3.79 H new ATOM 0 HB2 ALA A 15 -3.033 -7.830 13.557 1.00 3.79 H new ATOM 0 HB3 ALA A 15 -1.479 -8.145 14.364 1.00 3.79 H new ATOM 217 N SER A 16 -0.283 -4.583 13.358 1.00 2.39 N ATOM 218 CA SER A 16 0.725 -3.674 13.925 1.00 2.46 C ATOM 219 C SER A 16 1.948 -3.429 13.024 1.00 2.24 C ATOM 220 O SER A 16 2.419 -2.301 12.919 1.00 2.77 O ATOM 221 CB SER A 16 1.152 -4.137 15.323 1.00 3.46 C ATOM 222 OG SER A 16 0.007 -4.380 16.122 1.00 4.67 O ATOM 0 H SER A 16 -1.125 -4.093 13.055 1.00 2.39 H new ATOM 0 HA SER A 16 0.231 -2.705 14.000 1.00 2.46 H new ATOM 0 HB2 SER A 16 1.752 -5.044 15.248 1.00 3.46 H new ATOM 0 HB3 SER A 16 1.778 -3.378 15.791 1.00 3.46 H new ATOM 0 HG SER A 16 0.287 -4.677 17.013 1.00 4.67 H new ATOM 228 N CYS A 17 2.421 -4.472 12.349 1.00 2.18 N ATOM 229 CA CYS A 17 3.493 -4.552 11.370 1.00 2.88 C ATOM 230 C CYS A 17 3.333 -3.505 10.284 1.00 2.25 C ATOM 231 O CYS A 17 4.318 -3.012 9.731 1.00 2.63 O ATOM 232 CB CYS A 17 3.445 -5.960 10.769 1.00 3.55 C ATOM 233 SG CYS A 17 4.204 -7.088 11.963 1.00 5.15 S ATOM 0 H CYS A 17 2.008 -5.393 12.496 1.00 2.18 H new ATOM 0 HA CYS A 17 4.454 -4.361 11.848 1.00 2.88 H new ATOM 0 HB2 CYS A 17 2.416 -6.254 10.564 1.00 3.55 H new ATOM 0 HB3 CYS A 17 3.980 -5.990 9.820 1.00 3.55 H new ATOM 0 HG CYS A 17 3.820 -8.305 11.715 1.00 5.15 H new ATOM 238 N VAL A 18 2.089 -3.115 10.013 1.00 1.44 N ATOM 239 CA VAL A 18 1.822 -1.956 9.204 1.00 1.23 C ATOM 240 C VAL A 18 2.755 -0.786 9.543 1.00 0.83 C ATOM 241 O VAL A 18 3.277 -0.135 8.657 1.00 0.86 O ATOM 242 CB VAL A 18 0.359 -1.590 9.397 1.00 1.36 C ATOM 243 CG1 VAL A 18 -0.535 -2.582 8.642 1.00 2.87 C ATOM 244 CG2 VAL A 18 -0.054 -1.465 10.866 1.00 1.96 C ATOM 0 H VAL A 18 1.255 -3.596 10.350 1.00 1.44 H new ATOM 0 HA VAL A 18 2.016 -2.183 8.156 1.00 1.23 H new ATOM 0 HB VAL A 18 0.223 -0.594 8.976 1.00 1.36 H new ATOM 0 HG11 VAL A 18 -1.581 -2.312 8.786 1.00 2.87 H new ATOM 0 HG12 VAL A 18 -0.296 -2.551 7.579 1.00 2.87 H new ATOM 0 HG13 VAL A 18 -0.364 -3.589 9.024 1.00 2.87 H new ATOM 0 HG21 VAL A 18 -1.110 -1.202 10.926 1.00 1.96 H new ATOM 0 HG22 VAL A 18 0.113 -2.415 11.373 1.00 1.96 H new ATOM 0 HG23 VAL A 18 0.541 -0.688 11.346 1.00 1.96 H new ATOM 254 N ALA A 19 3.030 -0.545 10.820 1.00 0.92 N ATOM 255 CA ALA A 19 3.926 0.499 11.292 1.00 1.37 C ATOM 256 C ALA A 19 5.319 0.383 10.669 1.00 1.78 C ATOM 257 O ALA A 19 5.918 1.386 10.277 1.00 1.94 O ATOM 258 CB ALA A 19 4.004 0.371 12.816 1.00 1.95 C ATOM 0 H ALA A 19 2.621 -1.090 11.579 1.00 0.92 H new ATOM 0 HA ALA A 19 3.542 1.476 10.998 1.00 1.37 H new ATOM 0 HB1 ALA A 19 4.669 1.139 13.212 1.00 1.95 H new ATOM 0 HB2 ALA A 19 3.009 0.497 13.243 1.00 1.95 H new ATOM 0 HB3 ALA A 19 4.390 -0.614 13.079 1.00 1.95 H new ATOM 264 N ASN A 20 5.837 -0.844 10.561 1.00 2.16 N ATOM 265 CA ASN A 20 7.049 -1.101 9.799 1.00 2.70 C ATOM 266 C ASN A 20 6.792 -0.710 8.348 1.00 2.35 C ATOM 267 O ASN A 20 7.583 0.018 7.750 1.00 2.40 O ATOM 268 CB ASN A 20 7.473 -2.577 9.939 1.00 3.28 C ATOM 269 CG ASN A 20 8.121 -3.163 8.682 1.00 3.70 C ATOM 270 OD1 ASN A 20 9.335 -3.324 8.633 1.00 4.21 O ATOM 271 ND2 ASN A 20 7.333 -3.495 7.658 1.00 3.62 N ATOM 0 H ASN A 20 5.430 -1.673 10.995 1.00 2.16 H new ATOM 0 HA ASN A 20 7.877 -0.504 10.183 1.00 2.70 H new ATOM 0 HB2 ASN A 20 8.172 -2.666 10.770 1.00 3.28 H new ATOM 0 HB3 ASN A 20 6.597 -3.173 10.195 1.00 3.28 H new ATOM 0 HD21 ASN A 20 7.738 -3.892 6.811 1.00 3.62 H new ATOM 0 HD22 ASN A 20 6.325 -3.351 7.723 1.00 3.62 H new ATOM 278 N ILE A 21 5.702 -1.236 7.786 1.00 2.11 N ATOM 279 CA ILE A 21 5.489 -1.199 6.352 1.00 2.12 C ATOM 280 C ILE A 21 5.351 0.262 5.944 1.00 1.40 C ATOM 281 O ILE A 21 6.134 0.732 5.137 1.00 1.61 O ATOM 282 CB ILE A 21 4.274 -2.071 5.956 1.00 2.43 C ATOM 283 CG1 ILE A 21 4.503 -3.561 6.264 1.00 3.39 C ATOM 284 CG2 ILE A 21 3.966 -1.929 4.470 1.00 3.09 C ATOM 285 CD1 ILE A 21 3.419 -4.495 5.724 1.00 3.31 C ATOM 0 H ILE A 21 4.956 -1.692 8.310 1.00 2.11 H new ATOM 0 HA ILE A 21 6.334 -1.628 5.813 1.00 2.12 H new ATOM 0 HB ILE A 21 3.434 -1.713 6.551 1.00 2.43 H new ATOM 0 HG12 ILE A 21 5.464 -3.861 5.847 1.00 3.39 H new ATOM 0 HG13 ILE A 21 4.570 -3.689 7.344 1.00 3.39 H new ATOM 0 HG21 ILE A 21 3.108 -2.551 4.215 1.00 3.09 H new ATOM 0 HG22 ILE A 21 3.739 -0.887 4.243 1.00 3.09 H new ATOM 0 HG23 ILE A 21 4.831 -2.247 3.887 1.00 3.09 H new ATOM 0 HD11 ILE A 21 3.662 -5.525 5.987 1.00 3.31 H new ATOM 0 HD12 ILE A 21 2.457 -4.226 6.160 1.00 3.31 H new ATOM 0 HD13 ILE A 21 3.365 -4.401 4.639 1.00 3.31 H new ATOM 297 N GLU A 22 4.413 1.000 6.511 1.00 0.68 N ATOM 298 CA GLU A 22 4.127 2.394 6.241 1.00 0.77 C ATOM 299 C GLU A 22 5.381 3.262 6.162 1.00 1.04 C ATOM 300 O GLU A 22 5.551 4.039 5.220 1.00 1.24 O ATOM 301 CB GLU A 22 3.119 2.829 7.310 1.00 1.49 C ATOM 302 CG GLU A 22 1.727 2.183 7.108 1.00 2.22 C ATOM 303 CD GLU A 22 1.456 1.635 5.703 1.00 4.76 C ATOM 304 OE1 GLU A 22 1.926 0.507 5.443 1.00 5.89 O ATOM 305 OE2 GLU A 22 0.789 2.335 4.910 1.00 6.11 O ATOM 0 H GLU A 22 3.790 0.613 7.220 1.00 0.68 H new ATOM 0 HA GLU A 22 3.697 2.525 5.248 1.00 0.77 H new ATOM 0 HB2 GLU A 22 3.501 2.562 8.295 1.00 1.49 H new ATOM 0 HB3 GLU A 22 3.019 3.914 7.291 1.00 1.49 H new ATOM 0 HG2 GLU A 22 1.615 1.370 7.825 1.00 2.22 H new ATOM 0 HG3 GLU A 22 0.963 2.924 7.344 1.00 2.22 H new ATOM 312 N ARG A 23 6.308 3.102 7.103 1.00 1.55 N ATOM 313 CA ARG A 23 7.598 3.753 6.990 1.00 2.26 C ATOM 314 C ARG A 23 8.324 3.318 5.707 1.00 2.11 C ATOM 315 O ARG A 23 8.839 4.153 4.964 1.00 2.39 O ATOM 316 CB ARG A 23 8.390 3.428 8.253 1.00 2.98 C ATOM 317 CG ARG A 23 9.841 3.843 8.116 1.00 2.97 C ATOM 318 CD ARG A 23 10.511 3.898 9.485 1.00 3.35 C ATOM 319 NE ARG A 23 10.458 2.585 10.152 1.00 2.85 N ATOM 320 CZ ARG A 23 10.794 2.350 11.431 1.00 3.65 C ATOM 321 NH1 ARG A 23 11.269 3.347 12.187 1.00 4.66 N ATOM 322 NH2 ARG A 23 10.655 1.123 11.944 1.00 4.39 N ATOM 0 H ARG A 23 6.187 2.533 7.941 1.00 1.55 H new ATOM 0 HA ARG A 23 7.482 4.834 6.909 1.00 2.26 H new ATOM 0 HB2 ARG A 23 7.943 3.938 9.106 1.00 2.98 H new ATOM 0 HB3 ARG A 23 8.333 2.358 8.455 1.00 2.98 H new ATOM 0 HG2 ARG A 23 10.368 3.137 7.474 1.00 2.97 H new ATOM 0 HG3 ARG A 23 9.903 4.819 7.635 1.00 2.97 H new ATOM 0 HD2 ARG A 23 11.549 4.212 9.374 1.00 3.35 H new ATOM 0 HD3 ARG A 23 10.017 4.645 10.106 1.00 3.35 H new ATOM 0 HE ARG A 23 10.140 1.790 9.597 1.00 2.85 H new ATOM 0 HH11 ARG A 23 11.375 4.281 11.791 1.00 4.66 H new ATOM 0 HH12 ARG A 23 11.525 3.173 13.159 1.00 4.66 H new ATOM 0 HH21 ARG A 23 10.294 0.366 11.364 1.00 4.39 H new ATOM 0 HH22 ARG A 23 10.910 0.944 12.915 1.00 4.39 H new ATOM 336 N ASN A 24 8.363 2.010 5.447 1.00 2.03 N ATOM 337 CA ASN A 24 8.947 1.399 4.271 1.00 2.24 C ATOM 338 C ASN A 24 8.197 1.855 3.000 1.00 1.54 C ATOM 339 O ASN A 24 8.768 1.804 1.916 1.00 1.39 O ATOM 340 CB ASN A 24 8.993 -0.126 4.527 1.00 2.99 C ATOM 341 CG ASN A 24 8.474 -0.967 3.385 1.00 2.78 C ATOM 342 OD1 ASN A 24 9.224 -1.598 2.650 1.00 3.42 O ATOM 343 ND2 ASN A 24 7.158 -1.014 3.287 1.00 2.66 N ATOM 0 H ASN A 24 7.967 1.322 6.087 1.00 2.03 H new ATOM 0 HA ASN A 24 9.972 1.720 4.086 1.00 2.24 H new ATOM 0 HB2 ASN A 24 10.023 -0.416 4.737 1.00 2.99 H new ATOM 0 HB3 ASN A 24 8.410 -0.350 5.421 1.00 2.99 H new ATOM 0 HD21 ASN A 24 6.720 -1.596 2.573 1.00 2.66 H new ATOM 0 HD22 ASN A 24 6.579 -0.468 3.925 1.00 2.66 H new ATOM 350 N LEU A 25 6.943 2.313 3.117 1.00 1.39 N ATOM 351 CA LEU A 25 6.194 2.961 2.040 1.00 1.15 C ATOM 352 C LEU A 25 6.643 4.398 1.797 1.00 0.98 C ATOM 353 O LEU A 25 7.103 4.709 0.702 1.00 1.12 O ATOM 354 CB LEU A 25 4.673 2.787 2.192 1.00 1.21 C ATOM 355 CG LEU A 25 4.364 1.333 2.523 1.00 2.32 C ATOM 356 CD1 LEU A 25 2.905 1.044 2.409 1.00 2.87 C ATOM 357 CD2 LEU A 25 5.035 0.275 1.617 1.00 2.89 C ATOM 0 H LEU A 25 6.412 2.240 3.985 1.00 1.39 H new ATOM 0 HA LEU A 25 6.443 2.434 1.119 1.00 1.15 H new ATOM 0 HB2 LEU A 25 4.298 3.439 2.981 1.00 1.21 H new ATOM 0 HB3 LEU A 25 4.168 3.078 1.271 1.00 1.21 H new ATOM 0 HG LEU A 25 4.757 1.245 3.536 1.00 2.32 H new ATOM 0 HD11 LEU A 25 2.721 -0.003 2.652 1.00 2.87 H new ATOM 0 HD12 LEU A 25 2.353 1.680 3.101 1.00 2.87 H new ATOM 0 HD13 LEU A 25 2.573 1.243 1.390 1.00 2.87 H new ATOM 0 HD21 LEU A 25 4.744 -0.723 1.946 1.00 2.89 H new ATOM 0 HD22 LEU A 25 4.717 0.425 0.585 1.00 2.89 H new ATOM 0 HD23 LEU A 25 6.118 0.376 1.681 1.00 2.89 H new ATOM 369 N ARG A 26 6.538 5.292 2.791 1.00 1.21 N ATOM 370 CA ARG A 26 6.927 6.677 2.574 1.00 1.56 C ATOM 371 C ARG A 26 8.413 6.835 2.308 1.00 1.90 C ATOM 372 O ARG A 26 8.823 7.863 1.776 1.00 2.43 O ATOM 373 CB ARG A 26 6.436 7.590 3.700 1.00 2.25 C ATOM 374 CG ARG A 26 5.058 8.111 3.291 1.00 3.60 C ATOM 375 CD ARG A 26 4.582 9.259 4.191 1.00 4.96 C ATOM 376 NE ARG A 26 4.542 8.867 5.607 1.00 5.34 N ATOM 377 CZ ARG A 26 4.037 9.618 6.599 1.00 6.65 C ATOM 378 NH1 ARG A 26 3.616 10.862 6.341 1.00 7.57 N ATOM 379 NH2 ARG A 26 3.954 9.123 7.837 1.00 7.60 N ATOM 0 H ARG A 26 6.195 5.081 3.728 1.00 1.21 H new ATOM 0 HA ARG A 26 6.425 7.000 1.662 1.00 1.56 H new ATOM 0 HB2 ARG A 26 6.377 7.043 4.641 1.00 2.25 H new ATOM 0 HB3 ARG A 26 7.129 8.417 3.855 1.00 2.25 H new ATOM 0 HG2 ARG A 26 5.093 8.453 2.257 1.00 3.60 H new ATOM 0 HG3 ARG A 26 4.336 7.295 3.333 1.00 3.60 H new ATOM 0 HD2 ARG A 26 5.247 10.114 4.070 1.00 4.96 H new ATOM 0 HD3 ARG A 26 3.589 9.580 3.875 1.00 4.96 H new ATOM 0 HE ARG A 26 4.927 7.956 5.855 1.00 5.34 H new ATOM 0 HH11 ARG A 26 3.679 11.236 5.394 1.00 7.57 H new ATOM 0 HH12 ARG A 26 3.232 11.436 7.091 1.00 7.57 H new ATOM 0 HH21 ARG A 26 4.274 8.174 8.029 1.00 7.60 H new ATOM 0 HH22 ARG A 26 3.570 9.694 8.590 1.00 7.60 H new ATOM 393 N ARG A 27 9.211 5.824 2.651 1.00 2.26 N ATOM 394 CA ARG A 27 10.514 5.662 2.041 1.00 2.78 C ATOM 395 C ARG A 27 10.503 5.976 0.536 1.00 2.29 C ATOM 396 O ARG A 27 11.320 6.814 0.152 1.00 2.85 O ATOM 397 CB ARG A 27 11.096 4.289 2.395 1.00 3.73 C ATOM 398 CG ARG A 27 11.701 4.300 3.808 1.00 4.37 C ATOM 399 CD ARG A 27 13.240 4.327 3.778 1.00 5.24 C ATOM 400 NE ARG A 27 13.795 2.959 3.824 1.00 5.85 N ATOM 401 CZ ARG A 27 14.241 2.216 2.794 1.00 6.37 C ATOM 402 NH1 ARG A 27 14.400 2.728 1.580 1.00 6.25 N ATOM 403 NH2 ARG A 27 14.532 0.924 2.983 1.00 7.47 N ATOM 0 H ARG A 27 8.973 5.114 3.344 1.00 2.26 H new ATOM 0 HA ARG A 27 11.191 6.406 2.460 1.00 2.78 H new ATOM 0 HB2 ARG A 27 10.315 3.531 2.335 1.00 3.73 H new ATOM 0 HB3 ARG A 27 11.862 4.015 1.669 1.00 3.73 H new ATOM 0 HG2 ARG A 27 11.334 5.170 4.352 1.00 4.37 H new ATOM 0 HG3 ARG A 27 11.365 3.418 4.353 1.00 4.37 H new ATOM 0 HD2 ARG A 27 13.581 4.831 2.874 1.00 5.24 H new ATOM 0 HD3 ARG A 27 13.614 4.903 4.624 1.00 5.24 H new ATOM 0 HE ARG A 27 13.846 2.526 4.746 1.00 5.85 H new ATOM 0 HH11 ARG A 27 14.182 3.710 1.408 1.00 6.25 H new ATOM 0 HH12 ARG A 27 14.740 2.140 0.819 1.00 6.25 H new ATOM 0 HH21 ARG A 27 14.416 0.505 3.906 1.00 7.47 H new ATOM 0 HH22 ARG A 27 14.870 0.358 2.205 1.00 7.47 H new ATOM 417 N GLU A 28 9.637 5.387 -0.321 1.00 1.68 N ATOM 418 CA GLU A 28 9.975 5.520 -1.751 1.00 2.06 C ATOM 419 C GLU A 28 8.919 5.120 -2.786 1.00 1.93 C ATOM 420 O GLU A 28 7.854 4.592 -2.479 1.00 3.05 O ATOM 421 CB GLU A 28 11.339 4.848 -2.057 1.00 3.66 C ATOM 422 CG GLU A 28 11.516 3.459 -1.415 1.00 4.38 C ATOM 423 CD GLU A 28 12.882 3.283 -0.763 1.00 5.90 C ATOM 424 OE1 GLU A 28 13.385 4.265 -0.166 1.00 6.44 O ATOM 425 OE2 GLU A 28 13.394 2.140 -0.728 1.00 6.91 O ATOM 0 H GLU A 28 8.790 4.870 -0.084 1.00 1.68 H new ATOM 0 HA GLU A 28 10.029 6.601 -1.884 1.00 2.06 H new ATOM 0 HB2 GLU A 28 11.451 4.754 -3.137 1.00 3.66 H new ATOM 0 HB3 GLU A 28 12.139 5.501 -1.710 1.00 3.66 H new ATOM 0 HG2 GLU A 28 10.738 3.307 -0.666 1.00 4.38 H new ATOM 0 HG3 GLU A 28 11.380 2.691 -2.176 1.00 4.38 H new ATOM 432 N GLU A 29 9.286 5.421 -4.040 1.00 1.71 N ATOM 433 CA GLU A 29 8.670 5.044 -5.302 1.00 2.52 C ATOM 434 C GLU A 29 7.428 5.883 -5.598 1.00 1.85 C ATOM 435 O GLU A 29 6.321 5.386 -5.788 1.00 2.33 O ATOM 436 CB GLU A 29 8.483 3.525 -5.402 1.00 3.89 C ATOM 437 CG GLU A 29 8.400 3.051 -6.861 1.00 4.98 C ATOM 438 CD GLU A 29 9.704 3.260 -7.621 1.00 5.31 C ATOM 439 OE1 GLU A 29 10.564 2.360 -7.529 1.00 5.70 O ATOM 440 OE2 GLU A 29 9.821 4.327 -8.261 1.00 5.76 O ATOM 0 H GLU A 29 10.112 5.997 -4.202 1.00 1.71 H new ATOM 0 HA GLU A 29 9.353 5.287 -6.116 1.00 2.52 H new ATOM 0 HB2 GLU A 29 9.313 3.024 -4.905 1.00 3.89 H new ATOM 0 HB3 GLU A 29 7.574 3.236 -4.874 1.00 3.89 H new ATOM 0 HG2 GLU A 29 8.138 1.993 -6.881 1.00 4.98 H new ATOM 0 HG3 GLU A 29 7.598 3.588 -7.368 1.00 4.98 H new ATOM 447 N GLY A 30 7.636 7.201 -5.641 1.00 1.26 N ATOM 448 CA GLY A 30 6.610 8.173 -5.987 1.00 0.77 C ATOM 449 C GLY A 30 5.387 8.085 -5.077 1.00 0.66 C ATOM 450 O GLY A 30 4.284 8.444 -5.490 1.00 0.72 O ATOM 0 H GLY A 30 8.540 7.625 -5.432 1.00 1.26 H new ATOM 0 HA2 GLY A 30 7.031 9.177 -5.928 1.00 0.77 H new ATOM 0 HA3 GLY A 30 6.301 8.017 -7.021 1.00 0.77 H new ATOM 454 N ILE A 31 5.578 7.624 -3.841 1.00 0.68 N ATOM 455 CA ILE A 31 4.547 7.556 -2.823 1.00 0.65 C ATOM 456 C ILE A 31 4.524 8.884 -2.069 1.00 0.69 C ATOM 457 O ILE A 31 5.585 9.390 -1.712 1.00 0.92 O ATOM 458 CB ILE A 31 4.891 6.378 -1.898 1.00 0.84 C ATOM 459 CG1 ILE A 31 4.562 5.040 -2.575 1.00 1.30 C ATOM 460 CG2 ILE A 31 4.179 6.474 -0.553 1.00 1.09 C ATOM 461 CD1 ILE A 31 3.076 4.672 -2.531 1.00 2.44 C ATOM 0 H ILE A 31 6.482 7.279 -3.518 1.00 0.68 H new ATOM 0 HA ILE A 31 3.556 7.395 -3.247 1.00 0.65 H new ATOM 0 HB ILE A 31 5.963 6.428 -1.707 1.00 0.84 H new ATOM 0 HG12 ILE A 31 4.886 5.081 -3.615 1.00 1.30 H new ATOM 0 HG13 ILE A 31 5.137 4.249 -2.093 1.00 1.30 H new ATOM 0 HG21 ILE A 31 4.454 5.620 0.066 1.00 1.09 H new ATOM 0 HG22 ILE A 31 4.473 7.395 -0.051 1.00 1.09 H new ATOM 0 HG23 ILE A 31 3.101 6.476 -0.711 1.00 1.09 H new ATOM 0 HD11 ILE A 31 2.923 3.715 -3.029 1.00 2.44 H new ATOM 0 HD12 ILE A 31 2.750 4.597 -1.494 1.00 2.44 H new ATOM 0 HD13 ILE A 31 2.495 5.442 -3.039 1.00 2.44 H new ATOM 473 N TYR A 32 3.333 9.437 -1.795 1.00 0.62 N ATOM 474 CA TYR A 32 3.218 10.584 -0.897 1.00 0.73 C ATOM 475 C TYR A 32 1.961 10.528 -0.025 1.00 0.71 C ATOM 476 O TYR A 32 1.251 11.507 0.197 1.00 0.86 O ATOM 477 CB TYR A 32 3.196 11.863 -1.715 1.00 0.96 C ATOM 478 CG TYR A 32 4.384 12.072 -2.634 1.00 1.36 C ATOM 479 CD1 TYR A 32 5.590 12.589 -2.124 1.00 2.49 C ATOM 480 CD2 TYR A 32 4.323 11.630 -3.970 1.00 2.83 C ATOM 481 CE1 TYR A 32 6.725 12.666 -2.948 1.00 3.03 C ATOM 482 CE2 TYR A 32 5.462 11.700 -4.791 1.00 3.36 C ATOM 483 CZ TYR A 32 6.666 12.211 -4.274 1.00 2.86 C ATOM 484 OH TYR A 32 7.776 12.280 -5.061 1.00 3.67 O ATOM 0 H TYR A 32 2.447 9.109 -2.180 1.00 0.62 H new ATOM 0 HA TYR A 32 4.081 10.560 -0.232 1.00 0.73 H new ATOM 0 HB2 TYR A 32 2.287 11.873 -2.317 1.00 0.96 H new ATOM 0 HB3 TYR A 32 3.135 12.710 -1.031 1.00 0.96 H new ATOM 0 HD1 TYR A 32 5.643 12.926 -1.099 1.00 2.49 H new ATOM 0 HD2 TYR A 32 3.398 11.236 -4.365 1.00 2.83 H new ATOM 0 HE1 TYR A 32 7.645 13.076 -2.560 1.00 3.03 H new ATOM 0 HE2 TYR A 32 5.413 11.362 -5.816 1.00 3.36 H new ATOM 0 HH TYR A 32 7.569 11.924 -5.950 1.00 3.67 H new ATOM 494 N SER A 33 1.785 9.364 0.563 1.00 0.66 N ATOM 495 CA SER A 33 1.110 9.049 1.817 1.00 0.74 C ATOM 496 C SER A 33 1.637 7.680 2.230 1.00 0.96 C ATOM 497 O SER A 33 2.460 7.116 1.519 1.00 1.72 O ATOM 498 CB SER A 33 -0.419 9.075 1.698 1.00 0.94 C ATOM 499 OG SER A 33 -1.026 8.785 2.944 1.00 1.76 O ATOM 0 H SER A 33 2.151 8.516 0.129 1.00 0.66 H new ATOM 0 HA SER A 33 1.324 9.804 2.573 1.00 0.74 H new ATOM 0 HB2 SER A 33 -0.744 10.055 1.349 1.00 0.94 H new ATOM 0 HB3 SER A 33 -0.743 8.348 0.953 1.00 0.94 H new ATOM 0 HG SER A 33 -1.212 7.824 3.002 1.00 1.76 H new ATOM 505 N ILE A 34 1.171 7.137 3.347 1.00 0.91 N ATOM 506 CA ILE A 34 1.149 5.686 3.505 1.00 0.87 C ATOM 507 C ILE A 34 -0.281 5.221 3.215 1.00 1.26 C ATOM 508 O ILE A 34 -1.145 6.066 3.006 1.00 2.09 O ATOM 509 CB ILE A 34 1.755 5.224 4.845 1.00 1.29 C ATOM 510 CG1 ILE A 34 0.770 5.240 6.019 1.00 2.01 C ATOM 511 CG2 ILE A 34 3.045 5.976 5.178 1.00 1.41 C ATOM 512 CD1 ILE A 34 0.166 6.606 6.202 1.00 2.76 C ATOM 0 H ILE A 34 0.810 7.664 4.142 1.00 0.91 H new ATOM 0 HA ILE A 34 1.808 5.196 2.788 1.00 0.87 H new ATOM 0 HB ILE A 34 2.007 4.174 4.695 1.00 1.29 H new ATOM 0 HG12 ILE A 34 -0.020 4.510 5.844 1.00 2.01 H new ATOM 0 HG13 ILE A 34 1.284 4.941 6.933 1.00 2.01 H new ATOM 0 HG21 ILE A 34 3.438 5.620 6.130 1.00 1.41 H new ATOM 0 HG22 ILE A 34 3.781 5.802 4.393 1.00 1.41 H new ATOM 0 HG23 ILE A 34 2.836 7.043 5.249 1.00 1.41 H new ATOM 0 HD11 ILE A 34 -0.529 6.587 7.042 1.00 2.76 H new ATOM 0 HD12 ILE A 34 0.956 7.330 6.401 1.00 2.76 H new ATOM 0 HD13 ILE A 34 -0.368 6.892 5.296 1.00 2.76 H new ATOM 524 N LEU A 35 -0.509 3.912 3.154 1.00 1.28 N ATOM 525 CA LEU A 35 -1.651 3.181 2.702 1.00 1.84 C ATOM 526 C LEU A 35 -1.910 2.050 3.667 1.00 1.35 C ATOM 527 O LEU A 35 -1.912 0.883 3.294 1.00 1.51 O ATOM 528 CB LEU A 35 -1.391 2.599 1.315 1.00 2.79 C ATOM 529 CG LEU A 35 -0.010 1.949 1.192 1.00 3.49 C ATOM 530 CD1 LEU A 35 0.013 0.876 0.102 1.00 3.91 C ATOM 531 CD2 LEU A 35 1.031 3.032 0.857 1.00 4.19 C ATOM 0 H LEU A 35 0.215 3.267 3.469 1.00 1.28 H new ATOM 0 HA LEU A 35 -2.511 3.849 2.651 1.00 1.84 H new ATOM 0 HB2 LEU A 35 -2.157 1.858 1.088 1.00 2.79 H new ATOM 0 HB3 LEU A 35 -1.482 3.391 0.571 1.00 2.79 H new ATOM 0 HG LEU A 35 0.226 1.471 2.143 1.00 3.49 H new ATOM 0 HD11 LEU A 35 1.009 0.437 0.044 1.00 3.91 H new ATOM 0 HD12 LEU A 35 -0.713 0.099 0.341 1.00 3.91 H new ATOM 0 HD13 LEU A 35 -0.241 1.326 -0.857 1.00 3.91 H new ATOM 0 HD21 LEU A 35 2.016 2.574 0.768 1.00 4.19 H new ATOM 0 HD22 LEU A 35 0.767 3.511 -0.086 1.00 4.19 H new ATOM 0 HD23 LEU A 35 1.048 3.779 1.651 1.00 4.19 H new ATOM 543 N VAL A 36 -2.215 2.416 4.896 1.00 1.09 N ATOM 544 CA VAL A 36 -2.796 1.498 5.844 1.00 0.81 C ATOM 545 C VAL A 36 -4.020 2.136 6.480 1.00 0.79 C ATOM 546 O VAL A 36 -3.969 3.247 7.002 1.00 1.27 O ATOM 547 CB VAL A 36 -1.748 1.016 6.848 1.00 0.96 C ATOM 548 CG1 VAL A 36 -2.446 0.466 8.090 1.00 1.10 C ATOM 549 CG2 VAL A 36 -0.939 -0.110 6.181 1.00 1.08 C ATOM 0 H VAL A 36 -2.066 3.357 5.261 1.00 1.09 H new ATOM 0 HA VAL A 36 -3.140 0.597 5.336 1.00 0.81 H new ATOM 0 HB VAL A 36 -1.095 1.838 7.141 1.00 0.96 H new ATOM 0 HG11 VAL A 36 -1.699 0.123 8.805 1.00 1.10 H new ATOM 0 HG12 VAL A 36 -3.050 1.251 8.545 1.00 1.10 H new ATOM 0 HG13 VAL A 36 -3.088 -0.368 7.807 1.00 1.10 H new ATOM 0 HG21 VAL A 36 -0.182 -0.474 6.875 1.00 1.08 H new ATOM 0 HG22 VAL A 36 -1.607 -0.928 5.911 1.00 1.08 H new ATOM 0 HG23 VAL A 36 -0.454 0.273 5.283 1.00 1.08 H new ATOM 559 N ALA A 37 -5.108 1.373 6.460 1.00 0.78 N ATOM 560 CA ALA A 37 -6.290 1.562 7.276 1.00 0.83 C ATOM 561 C ALA A 37 -6.584 0.201 7.905 1.00 0.86 C ATOM 562 O ALA A 37 -7.616 -0.412 7.626 1.00 0.87 O ATOM 563 CB ALA A 37 -7.442 2.073 6.404 1.00 0.83 C ATOM 0 H ALA A 37 -5.188 0.566 5.841 1.00 0.78 H new ATOM 0 HA ALA A 37 -6.151 2.308 8.058 1.00 0.83 H new ATOM 0 HB1 ALA A 37 -8.330 2.214 7.020 1.00 0.83 H new ATOM 0 HB2 ALA A 37 -7.161 3.023 5.950 1.00 0.83 H new ATOM 0 HB3 ALA A 37 -7.656 1.346 5.621 1.00 0.83 H new ATOM 569 N LEU A 38 -5.650 -0.292 8.730 1.00 0.96 N ATOM 570 CA LEU A 38 -5.721 -1.644 9.282 1.00 1.08 C ATOM 571 C LEU A 38 -6.985 -1.785 10.146 1.00 1.23 C ATOM 572 O LEU A 38 -7.615 -2.837 10.171 1.00 1.43 O ATOM 573 CB LEU A 38 -4.397 -2.054 9.985 1.00 1.37 C ATOM 574 CG LEU A 38 -4.006 -3.524 9.758 1.00 2.67 C ATOM 575 CD1 LEU A 38 -2.910 -3.931 10.743 1.00 3.53 C ATOM 576 CD2 LEU A 38 -5.162 -4.507 9.923 1.00 3.54 C ATOM 0 H LEU A 38 -4.830 0.235 9.030 1.00 0.96 H new ATOM 0 HA LEU A 38 -5.821 -2.367 8.473 1.00 1.08 H new ATOM 0 HB2 LEU A 38 -3.592 -1.413 9.626 1.00 1.37 H new ATOM 0 HB3 LEU A 38 -4.494 -1.874 11.056 1.00 1.37 H new ATOM 0 HG LEU A 38 -3.667 -3.576 8.723 1.00 2.67 H new ATOM 0 HD11 LEU A 38 -2.639 -4.973 10.575 1.00 3.53 H new ATOM 0 HD12 LEU A 38 -2.034 -3.300 10.594 1.00 3.53 H new ATOM 0 HD13 LEU A 38 -3.275 -3.810 11.763 1.00 3.53 H new ATOM 0 HD21 LEU A 38 -4.805 -5.522 9.747 1.00 3.54 H new ATOM 0 HD22 LEU A 38 -5.561 -4.433 10.935 1.00 3.54 H new ATOM 0 HD23 LEU A 38 -5.947 -4.269 9.205 1.00 3.54 H new ATOM 588 N MET A 39 -7.409 -0.683 10.775 1.00 1.30 N ATOM 589 CA MET A 39 -8.695 -0.565 11.456 1.00 1.35 C ATOM 590 C MET A 39 -9.874 -1.096 10.623 1.00 1.33 C ATOM 591 O MET A 39 -10.797 -1.685 11.178 1.00 1.56 O ATOM 592 CB MET A 39 -8.909 0.885 11.912 1.00 1.46 C ATOM 593 CG MET A 39 -9.040 1.866 10.740 1.00 2.60 C ATOM 594 SD MET A 39 -9.215 3.617 11.172 1.00 2.98 S ATOM 595 CE MET A 39 -10.811 3.609 12.019 1.00 3.72 C ATOM 0 H MET A 39 -6.851 0.170 10.823 1.00 1.30 H new ATOM 0 HA MET A 39 -8.664 -1.207 12.336 1.00 1.35 H new ATOM 0 HB2 MET A 39 -9.808 0.938 12.526 1.00 1.46 H new ATOM 0 HB3 MET A 39 -8.074 1.189 12.542 1.00 1.46 H new ATOM 0 HG2 MET A 39 -8.162 1.757 10.103 1.00 2.60 H new ATOM 0 HG3 MET A 39 -9.904 1.573 10.144 1.00 2.60 H new ATOM 0 HE1 MET A 39 -11.105 4.633 12.250 1.00 3.72 H new ATOM 0 HE2 MET A 39 -11.562 3.152 11.375 1.00 3.72 H new ATOM 0 HE3 MET A 39 -10.729 3.037 12.944 1.00 3.72 H new ATOM 605 N ALA A 40 -9.860 -0.865 9.304 1.00 1.25 N ATOM 606 CA ALA A 40 -10.888 -1.347 8.389 1.00 1.20 C ATOM 607 C ALA A 40 -10.448 -2.681 7.788 1.00 1.16 C ATOM 608 O ALA A 40 -11.217 -3.637 7.737 1.00 1.53 O ATOM 609 CB ALA A 40 -11.127 -0.303 7.294 1.00 1.16 C ATOM 0 H ALA A 40 -9.123 -0.331 8.842 1.00 1.25 H new ATOM 0 HA ALA A 40 -11.824 -1.502 8.926 1.00 1.20 H new ATOM 0 HB1 ALA A 40 -11.895 -0.663 6.610 1.00 1.16 H new ATOM 0 HB2 ALA A 40 -11.455 0.632 7.748 1.00 1.16 H new ATOM 0 HB3 ALA A 40 -10.201 -0.134 6.744 1.00 1.16 H new ATOM 615 N GLY A 41 -9.205 -2.716 7.306 1.00 0.92 N ATOM 616 CA GLY A 41 -8.561 -3.871 6.702 1.00 0.95 C ATOM 617 C GLY A 41 -8.283 -3.559 5.238 1.00 0.79 C ATOM 618 O GLY A 41 -8.585 -4.349 4.347 1.00 0.91 O ATOM 0 H GLY A 41 -8.596 -1.898 7.330 1.00 0.92 H new ATOM 0 HA2 GLY A 41 -7.632 -4.102 7.223 1.00 0.95 H new ATOM 0 HA3 GLY A 41 -9.201 -4.749 6.787 1.00 0.95 H new ATOM 622 N LYS A 42 -7.756 -2.355 4.997 1.00 0.62 N ATOM 623 CA LYS A 42 -7.565 -1.747 3.698 1.00 0.68 C ATOM 624 C LYS A 42 -6.316 -0.877 3.764 1.00 0.55 C ATOM 625 O LYS A 42 -5.704 -0.760 4.827 1.00 0.51 O ATOM 626 CB LYS A 42 -8.792 -0.898 3.346 1.00 0.91 C ATOM 627 CG LYS A 42 -10.066 -1.744 3.296 1.00 1.58 C ATOM 628 CD LYS A 42 -11.075 -1.146 2.306 1.00 1.89 C ATOM 629 CE LYS A 42 -12.312 -2.049 2.191 1.00 3.42 C ATOM 630 NZ LYS A 42 -13.259 -1.562 1.166 1.00 4.22 N ATOM 0 H LYS A 42 -7.436 -1.752 5.755 1.00 0.62 H new ATOM 0 HA LYS A 42 -7.443 -2.509 2.928 1.00 0.68 H new ATOM 0 HB2 LYS A 42 -8.910 -0.104 4.084 1.00 0.91 H new ATOM 0 HB3 LYS A 42 -8.637 -0.415 2.381 1.00 0.91 H new ATOM 0 HG2 LYS A 42 -9.820 -2.764 3.001 1.00 1.58 H new ATOM 0 HG3 LYS A 42 -10.512 -1.798 4.289 1.00 1.58 H new ATOM 0 HD2 LYS A 42 -11.373 -0.151 2.637 1.00 1.89 H new ATOM 0 HD3 LYS A 42 -10.609 -1.030 1.327 1.00 1.89 H new ATOM 0 HE2 LYS A 42 -11.999 -3.063 1.943 1.00 3.42 H new ATOM 0 HE3 LYS A 42 -12.816 -2.098 3.156 1.00 3.42 H new ATOM 0 HZ1 LYS A 42 -14.079 -2.200 1.120 1.00 4.22 H new ATOM 0 HZ2 LYS A 42 -13.578 -0.604 1.415 1.00 4.22 H new ATOM 0 HZ3 LYS A 42 -12.787 -1.539 0.240 1.00 4.22 H new ATOM 644 N ALA A 43 -5.941 -0.287 2.630 1.00 0.97 N ATOM 645 CA ALA A 43 -4.679 0.397 2.447 1.00 0.78 C ATOM 646 C ALA A 43 -4.873 1.646 1.579 1.00 0.82 C ATOM 647 O ALA A 43 -5.198 1.506 0.399 1.00 1.19 O ATOM 648 CB ALA A 43 -3.726 -0.630 1.818 1.00 0.89 C ATOM 0 H ALA A 43 -6.528 -0.276 1.796 1.00 0.97 H new ATOM 0 HA ALA A 43 -4.261 0.759 3.386 1.00 0.78 H new ATOM 0 HB1 ALA A 43 -2.751 -0.170 1.655 1.00 0.89 H new ATOM 0 HB2 ALA A 43 -3.617 -1.483 2.488 1.00 0.89 H new ATOM 0 HB3 ALA A 43 -4.132 -0.967 0.864 1.00 0.89 H new ATOM 654 N GLU A 44 -4.703 2.855 2.152 1.00 0.82 N ATOM 655 CA GLU A 44 -5.036 4.117 1.485 1.00 1.03 C ATOM 656 C GLU A 44 -3.849 4.930 0.975 1.00 1.09 C ATOM 657 O GLU A 44 -3.394 5.857 1.636 1.00 1.75 O ATOM 658 CB GLU A 44 -6.003 4.976 2.321 1.00 1.27 C ATOM 659 CG GLU A 44 -6.488 6.165 1.473 1.00 1.99 C ATOM 660 CD GLU A 44 -7.339 7.168 2.231 1.00 2.29 C ATOM 661 OE1 GLU A 44 -8.368 6.755 2.804 1.00 2.46 O ATOM 662 OE2 GLU A 44 -7.054 8.378 2.083 1.00 3.35 O ATOM 0 H GLU A 44 -4.329 2.977 3.093 1.00 0.82 H new ATOM 0 HA GLU A 44 -5.551 3.803 0.577 1.00 1.03 H new ATOM 0 HB2 GLU A 44 -6.853 4.376 2.646 1.00 1.27 H new ATOM 0 HB3 GLU A 44 -5.504 5.336 3.221 1.00 1.27 H new ATOM 0 HG2 GLU A 44 -5.620 6.680 1.061 1.00 1.99 H new ATOM 0 HG3 GLU A 44 -7.062 5.784 0.629 1.00 1.99 H new ATOM 669 N VAL A 45 -3.376 4.633 -0.229 1.00 0.71 N ATOM 670 CA VAL A 45 -2.192 5.230 -0.779 1.00 0.67 C ATOM 671 C VAL A 45 -2.534 6.593 -1.370 1.00 0.66 C ATOM 672 O VAL A 45 -3.634 6.794 -1.883 1.00 0.90 O ATOM 673 CB VAL A 45 -1.667 4.252 -1.848 1.00 0.73 C ATOM 674 CG1 VAL A 45 -2.666 3.975 -2.970 1.00 1.38 C ATOM 675 CG2 VAL A 45 -0.398 4.795 -2.456 1.00 1.52 C ATOM 0 H VAL A 45 -3.820 3.958 -0.851 1.00 0.71 H new ATOM 0 HA VAL A 45 -1.425 5.399 -0.023 1.00 0.67 H new ATOM 0 HB VAL A 45 -1.489 3.308 -1.333 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -2.227 3.279 -3.684 1.00 1.38 H new ATOM 0 HG12 VAL A 45 -3.573 3.540 -2.550 1.00 1.38 H new ATOM 0 HG13 VAL A 45 -2.912 4.908 -3.477 1.00 1.38 H new ATOM 0 HG21 VAL A 45 -0.030 4.100 -3.211 1.00 1.52 H new ATOM 0 HG22 VAL A 45 -0.601 5.761 -2.919 1.00 1.52 H new ATOM 0 HG23 VAL A 45 0.355 4.917 -1.678 1.00 1.52 H new ATOM 685 N ARG A 46 -1.548 7.493 -1.341 1.00 0.52 N ATOM 686 CA ARG A 46 -1.440 8.644 -2.217 1.00 0.48 C ATOM 687 C ARG A 46 -0.118 8.444 -2.956 1.00 0.47 C ATOM 688 O ARG A 46 0.888 8.129 -2.319 1.00 0.57 O ATOM 689 CB ARG A 46 -1.456 9.938 -1.403 1.00 0.66 C ATOM 690 CG ARG A 46 -1.732 11.177 -2.261 1.00 0.95 C ATOM 691 CD ARG A 46 -1.289 12.433 -1.497 1.00 1.61 C ATOM 692 NE ARG A 46 -1.960 13.651 -1.981 1.00 2.67 N ATOM 693 CZ ARG A 46 -3.138 14.111 -1.526 1.00 3.12 C ATOM 694 NH1 ARG A 46 -3.849 13.378 -0.660 1.00 3.05 N ATOM 695 NH2 ARG A 46 -3.598 15.298 -1.935 1.00 4.57 N ATOM 0 H ARG A 46 -0.776 7.430 -0.677 1.00 0.52 H new ATOM 0 HA ARG A 46 -2.274 8.727 -2.914 1.00 0.48 H new ATOM 0 HB2 ARG A 46 -2.217 9.863 -0.626 1.00 0.66 H new ATOM 0 HB3 ARG A 46 -0.497 10.057 -0.900 1.00 0.66 H new ATOM 0 HG2 ARG A 46 -1.196 11.105 -3.207 1.00 0.95 H new ATOM 0 HG3 ARG A 46 -2.794 11.239 -2.500 1.00 0.95 H new ATOM 0 HD2 ARG A 46 -1.500 12.303 -0.436 1.00 1.61 H new ATOM 0 HD3 ARG A 46 -0.210 12.553 -1.595 1.00 1.61 H new ATOM 0 HE ARG A 46 -1.496 14.185 -2.716 1.00 2.67 H new ATOM 0 HH11 ARG A 46 -3.496 12.473 -0.348 1.00 3.05 H new ATOM 0 HH12 ARG A 46 -4.743 13.724 -0.313 1.00 3.05 H new ATOM 0 HH21 ARG A 46 -3.055 15.856 -2.594 1.00 4.57 H new ATOM 0 HH22 ARG A 46 -4.492 15.645 -1.589 1.00 4.57 H new ATOM 709 N TYR A 47 -0.137 8.545 -4.282 1.00 0.48 N ATOM 710 CA TYR A 47 0.921 8.067 -5.161 1.00 0.63 C ATOM 711 C TYR A 47 0.995 8.908 -6.427 1.00 0.59 C ATOM 712 O TYR A 47 0.052 9.631 -6.746 1.00 0.55 O ATOM 713 CB TYR A 47 0.694 6.592 -5.536 1.00 0.76 C ATOM 714 CG TYR A 47 -0.550 6.280 -6.367 1.00 0.73 C ATOM 715 CD1 TYR A 47 -1.847 6.477 -5.851 1.00 2.04 C ATOM 716 CD2 TYR A 47 -0.407 5.727 -7.653 1.00 1.86 C ATOM 717 CE1 TYR A 47 -2.978 6.193 -6.639 1.00 2.22 C ATOM 718 CE2 TYR A 47 -1.538 5.345 -8.392 1.00 1.86 C ATOM 719 CZ TYR A 47 -2.829 5.566 -7.887 1.00 1.15 C ATOM 720 OH TYR A 47 -3.903 5.210 -8.649 1.00 1.50 O ATOM 0 H TYR A 47 -0.912 8.974 -4.787 1.00 0.48 H new ATOM 0 HA TYR A 47 1.864 8.156 -4.622 1.00 0.63 H new ATOM 0 HB2 TYR A 47 1.568 6.242 -6.086 1.00 0.76 H new ATOM 0 HB3 TYR A 47 0.643 6.011 -4.615 1.00 0.76 H new ATOM 0 HD1 TYR A 47 -1.974 6.848 -4.845 1.00 2.04 H new ATOM 0 HD2 TYR A 47 0.579 5.596 -8.074 1.00 1.86 H new ATOM 0 HE1 TYR A 47 -3.963 6.458 -6.283 1.00 2.22 H new ATOM 0 HE2 TYR A 47 -1.414 4.877 -9.357 1.00 1.86 H new ATOM 0 HH TYR A 47 -4.663 5.001 -8.066 1.00 1.50 H new ATOM 730 N ASN A 48 2.112 8.783 -7.150 1.00 0.69 N ATOM 731 CA ASN A 48 2.335 9.428 -8.440 1.00 0.73 C ATOM 732 C ASN A 48 2.340 8.406 -9.586 1.00 0.69 C ATOM 733 O ASN A 48 3.408 7.882 -9.924 1.00 0.86 O ATOM 734 CB ASN A 48 3.653 10.209 -8.403 1.00 1.06 C ATOM 735 CG ASN A 48 3.903 10.936 -9.724 1.00 1.44 C ATOM 736 OD1 ASN A 48 2.974 11.233 -10.469 1.00 2.55 O ATOM 737 ND2 ASN A 48 5.162 11.234 -10.029 1.00 1.89 N ATOM 0 H ASN A 48 2.903 8.216 -6.844 1.00 0.69 H new ATOM 0 HA ASN A 48 1.513 10.119 -8.627 1.00 0.73 H new ATOM 0 HB2 ASN A 48 3.628 10.931 -7.587 1.00 1.06 H new ATOM 0 HB3 ASN A 48 4.478 9.526 -8.199 1.00 1.06 H new ATOM 0 HD21 ASN A 48 5.374 11.721 -10.900 1.00 1.89 H new ATOM 0 HD22 ASN A 48 5.916 10.976 -9.392 1.00 1.89 H new ATOM 744 N PRO A 49 1.183 8.114 -10.216 1.00 0.65 N ATOM 745 CA PRO A 49 1.123 7.277 -11.405 1.00 0.75 C ATOM 746 C PRO A 49 1.743 7.996 -12.604 1.00 0.96 C ATOM 747 O PRO A 49 1.069 8.536 -13.476 1.00 1.58 O ATOM 748 CB PRO A 49 -0.342 6.916 -11.611 1.00 0.77 C ATOM 749 CG PRO A 49 -1.092 8.070 -10.943 1.00 0.90 C ATOM 750 CD PRO A 49 -0.153 8.548 -9.834 1.00 0.84 C ATOM 0 HA PRO A 49 1.706 6.363 -11.289 1.00 0.75 H new ATOM 0 HB2 PRO A 49 -0.590 6.835 -12.669 1.00 0.77 H new ATOM 0 HB3 PRO A 49 -0.588 5.958 -11.152 1.00 0.77 H new ATOM 0 HG2 PRO A 49 -1.305 8.868 -11.654 1.00 0.90 H new ATOM 0 HG3 PRO A 49 -2.049 7.740 -10.538 1.00 0.90 H new ATOM 0 HD2 PRO A 49 -0.195 9.632 -9.729 1.00 0.84 H new ATOM 0 HD3 PRO A 49 -0.440 8.124 -8.872 1.00 0.84 H new ATOM 758 N ALA A 50 3.068 7.953 -12.607 1.00 0.87 N ATOM 759 CA ALA A 50 3.986 8.397 -13.636 1.00 0.94 C ATOM 760 C ALA A 50 5.300 7.682 -13.334 1.00 0.94 C ATOM 761 O ALA A 50 5.876 7.030 -14.197 1.00 1.08 O ATOM 762 CB ALA A 50 4.143 9.920 -13.601 1.00 1.02 C ATOM 0 H ALA A 50 3.572 7.568 -11.808 1.00 0.87 H new ATOM 0 HA ALA A 50 3.631 8.161 -14.639 1.00 0.94 H new ATOM 0 HB1 ALA A 50 4.837 10.232 -14.382 1.00 1.02 H new ATOM 0 HB2 ALA A 50 3.174 10.390 -13.768 1.00 1.02 H new ATOM 0 HB3 ALA A 50 4.531 10.224 -12.629 1.00 1.02 H new ATOM 768 N VAL A 51 5.710 7.738 -12.061 1.00 0.92 N ATOM 769 CA VAL A 51 6.692 6.848 -11.493 1.00 1.14 C ATOM 770 C VAL A 51 6.106 5.431 -11.439 1.00 1.29 C ATOM 771 O VAL A 51 6.561 4.547 -12.158 1.00 1.71 O ATOM 772 CB VAL A 51 7.063 7.401 -10.107 1.00 1.16 C ATOM 773 CG1 VAL A 51 7.987 6.440 -9.369 1.00 1.54 C ATOM 774 CG2 VAL A 51 7.771 8.757 -10.232 1.00 1.33 C ATOM 0 H VAL A 51 5.352 8.423 -11.395 1.00 0.92 H new ATOM 0 HA VAL A 51 7.600 6.789 -12.093 1.00 1.14 H new ATOM 0 HB VAL A 51 6.135 7.521 -9.547 1.00 1.16 H new ATOM 0 HG11 VAL A 51 8.236 6.853 -8.391 1.00 1.54 H new ATOM 0 HG12 VAL A 51 7.487 5.480 -9.241 1.00 1.54 H new ATOM 0 HG13 VAL A 51 8.901 6.299 -9.946 1.00 1.54 H new ATOM 0 HG21 VAL A 51 8.024 9.128 -9.239 1.00 1.33 H new ATOM 0 HG22 VAL A 51 8.682 8.639 -10.818 1.00 1.33 H new ATOM 0 HG23 VAL A 51 7.110 9.468 -10.728 1.00 1.33 H new ATOM 784 N ILE A 52 5.092 5.199 -10.593 1.00 1.13 N ATOM 785 CA ILE A 52 4.861 3.854 -10.056 1.00 1.24 C ATOM 786 C ILE A 52 3.953 2.940 -10.899 1.00 1.28 C ATOM 787 O ILE A 52 4.380 1.864 -11.299 1.00 1.67 O ATOM 788 CB ILE A 52 4.501 3.940 -8.562 1.00 1.27 C ATOM 789 CG1 ILE A 52 4.529 2.538 -7.935 1.00 1.40 C ATOM 790 CG2 ILE A 52 3.163 4.645 -8.310 1.00 1.30 C ATOM 791 CD1 ILE A 52 4.634 2.567 -6.406 1.00 2.21 C ATOM 0 H ILE A 52 4.433 5.909 -10.273 1.00 1.13 H new ATOM 0 HA ILE A 52 5.806 3.316 -10.137 1.00 1.24 H new ATOM 0 HB ILE A 52 5.256 4.559 -8.078 1.00 1.27 H new ATOM 0 HG12 ILE A 52 3.625 2.000 -8.221 1.00 1.40 H new ATOM 0 HG13 ILE A 52 5.374 1.981 -8.341 1.00 1.40 H new ATOM 0 HG21 ILE A 52 2.964 4.675 -7.239 1.00 1.30 H new ATOM 0 HG22 ILE A 52 3.209 5.662 -8.699 1.00 1.30 H new ATOM 0 HG23 ILE A 52 2.364 4.100 -8.813 1.00 1.30 H new ATOM 0 HD11 ILE A 52 4.649 1.547 -6.023 1.00 2.21 H new ATOM 0 HD12 ILE A 52 5.551 3.078 -6.114 1.00 2.21 H new ATOM 0 HD13 ILE A 52 3.776 3.097 -5.992 1.00 2.21 H new ATOM 803 N GLN A 53 2.716 3.360 -11.177 1.00 1.19 N ATOM 804 CA GLN A 53 1.648 2.607 -11.841 1.00 1.24 C ATOM 805 C GLN A 53 0.892 1.716 -10.834 1.00 1.12 C ATOM 806 O GLN A 53 1.509 1.000 -10.048 1.00 1.00 O ATOM 807 CB GLN A 53 2.046 1.772 -13.082 1.00 1.47 C ATOM 808 CG GLN A 53 2.504 2.537 -14.329 1.00 1.25 C ATOM 809 CD GLN A 53 3.953 2.959 -14.212 1.00 1.56 C ATOM 810 OE1 GLN A 53 4.854 2.251 -14.646 1.00 2.60 O ATOM 811 NE2 GLN A 53 4.175 4.103 -13.589 1.00 2.38 N ATOM 0 H GLN A 53 2.413 4.301 -10.927 1.00 1.19 H new ATOM 0 HA GLN A 53 1.003 3.392 -12.236 1.00 1.24 H new ATOM 0 HB2 GLN A 53 2.848 1.094 -12.789 1.00 1.47 H new ATOM 0 HB3 GLN A 53 1.192 1.154 -13.360 1.00 1.47 H new ATOM 0 HG2 GLN A 53 2.375 1.910 -15.211 1.00 1.25 H new ATOM 0 HG3 GLN A 53 1.877 3.417 -14.470 1.00 1.25 H new ATOM 0 HE21 GLN A 53 3.391 4.657 -13.246 1.00 2.38 H new ATOM 0 HE22 GLN A 53 5.131 4.432 -13.452 1.00 2.38 H new ATOM 820 N PRO A 54 -0.451 1.733 -10.874 1.00 1.21 N ATOM 821 CA PRO A 54 -1.356 0.856 -10.134 1.00 1.24 C ATOM 822 C PRO A 54 -0.938 -0.612 -9.951 1.00 1.06 C ATOM 823 O PRO A 54 -0.992 -1.086 -8.818 1.00 1.06 O ATOM 824 CB PRO A 54 -2.728 1.038 -10.784 1.00 1.44 C ATOM 825 CG PRO A 54 -2.657 2.527 -11.104 1.00 1.58 C ATOM 826 CD PRO A 54 -1.243 2.685 -11.631 1.00 1.37 C ATOM 0 HA PRO A 54 -1.348 1.160 -9.087 1.00 1.24 H new ATOM 0 HB2 PRO A 54 -2.855 0.423 -11.675 1.00 1.44 H new ATOM 0 HB3 PRO A 54 -3.548 0.793 -10.109 1.00 1.44 H new ATOM 0 HG2 PRO A 54 -3.401 2.818 -11.846 1.00 1.58 H new ATOM 0 HG3 PRO A 54 -2.831 3.140 -10.220 1.00 1.58 H new ATOM 0 HD2 PRO A 54 -1.195 2.477 -12.700 1.00 1.37 H new ATOM 0 HD3 PRO A 54 -0.880 3.703 -11.488 1.00 1.37 H new ATOM 834 N PRO A 55 -0.526 -1.357 -10.994 1.00 1.00 N ATOM 835 CA PRO A 55 0.116 -2.642 -10.809 1.00 0.93 C ATOM 836 C PRO A 55 1.154 -2.569 -9.693 1.00 0.95 C ATOM 837 O PRO A 55 0.985 -3.212 -8.658 1.00 1.09 O ATOM 838 CB PRO A 55 0.741 -3.008 -12.156 1.00 0.99 C ATOM 839 CG PRO A 55 0.473 -1.858 -13.104 1.00 0.96 C ATOM 840 CD PRO A 55 -0.601 -1.050 -12.406 1.00 1.13 C ATOM 0 HA PRO A 55 -0.596 -3.409 -10.504 1.00 0.93 H new ATOM 0 HB2 PRO A 55 1.813 -3.176 -12.049 1.00 0.99 H new ATOM 0 HB3 PRO A 55 0.310 -3.932 -12.541 1.00 0.99 H new ATOM 0 HG2 PRO A 55 1.371 -1.264 -13.275 1.00 0.96 H new ATOM 0 HG3 PRO A 55 0.136 -2.214 -14.078 1.00 0.96 H new ATOM 0 HD2 PRO A 55 -0.450 0.016 -12.575 1.00 1.13 H new ATOM 0 HD3 PRO A 55 -1.586 -1.299 -12.801 1.00 1.13 H new ATOM 848 N MET A 56 2.187 -1.734 -9.860 1.00 0.96 N ATOM 849 CA MET A 56 3.265 -1.692 -8.887 1.00 1.17 C ATOM 850 C MET A 56 2.771 -1.305 -7.488 1.00 1.24 C ATOM 851 O MET A 56 3.207 -1.923 -6.512 1.00 1.47 O ATOM 852 CB MET A 56 4.409 -0.804 -9.373 1.00 1.27 C ATOM 853 CG MET A 56 5.032 -1.324 -10.674 1.00 1.36 C ATOM 854 SD MET A 56 6.647 -0.603 -11.070 1.00 1.79 S ATOM 855 CE MET A 56 7.001 -1.471 -12.613 1.00 1.70 C ATOM 0 H MET A 56 2.292 -1.093 -10.647 1.00 0.96 H new ATOM 0 HA MET A 56 3.661 -2.703 -8.792 1.00 1.17 H new ATOM 0 HB2 MET A 56 4.039 0.209 -9.529 1.00 1.27 H new ATOM 0 HB3 MET A 56 5.177 -0.748 -8.601 1.00 1.27 H new ATOM 0 HG2 MET A 56 5.138 -2.407 -10.605 1.00 1.36 H new ATOM 0 HG3 MET A 56 4.346 -1.123 -11.497 1.00 1.36 H new ATOM 0 HE1 MET A 56 7.967 -1.146 -13.000 1.00 1.70 H new ATOM 0 HE2 MET A 56 7.027 -2.545 -12.429 1.00 1.70 H new ATOM 0 HE3 MET A 56 6.223 -1.247 -13.343 1.00 1.70 H new ATOM 865 N ILE A 57 1.861 -0.319 -7.359 1.00 1.18 N ATOM 866 CA ILE A 57 1.408 0.093 -6.029 1.00 1.39 C ATOM 867 C ILE A 57 0.846 -1.087 -5.235 1.00 1.36 C ATOM 868 O ILE A 57 1.107 -1.210 -4.041 1.00 1.73 O ATOM 869 CB ILE A 57 0.455 1.307 -6.028 1.00 1.61 C ATOM 870 CG1 ILE A 57 -1.045 1.013 -6.190 1.00 3.17 C ATOM 871 CG2 ILE A 57 0.922 2.399 -6.986 1.00 1.77 C ATOM 872 CD1 ILE A 57 -1.879 2.289 -6.357 1.00 3.67 C ATOM 0 H ILE A 57 1.440 0.189 -8.137 1.00 1.18 H new ATOM 0 HA ILE A 57 2.302 0.446 -5.515 1.00 1.39 H new ATOM 0 HB ILE A 57 0.528 1.673 -5.004 1.00 1.61 H new ATOM 0 HG12 ILE A 57 -1.194 0.369 -7.057 1.00 3.17 H new ATOM 0 HG13 ILE A 57 -1.400 0.462 -5.319 1.00 3.17 H new ATOM 0 HG21 ILE A 57 0.223 3.235 -6.954 1.00 1.77 H new ATOM 0 HG22 ILE A 57 1.913 2.743 -6.690 1.00 1.77 H new ATOM 0 HG23 ILE A 57 0.964 2.000 -8.000 1.00 1.77 H new ATOM 0 HD11 ILE A 57 -2.931 2.024 -6.467 1.00 3.67 H new ATOM 0 HD12 ILE A 57 -1.755 2.923 -5.479 1.00 3.67 H new ATOM 0 HD13 ILE A 57 -1.545 2.828 -7.244 1.00 3.67 H new ATOM 884 N ALA A 58 0.090 -1.962 -5.900 1.00 1.09 N ATOM 885 CA ALA A 58 -0.349 -3.208 -5.291 1.00 1.12 C ATOM 886 C ALA A 58 0.830 -4.168 -5.114 1.00 1.10 C ATOM 887 O ALA A 58 1.080 -4.689 -4.030 1.00 1.26 O ATOM 888 CB ALA A 58 -1.451 -3.840 -6.145 1.00 1.30 C ATOM 0 H ALA A 58 -0.228 -1.826 -6.860 1.00 1.09 H new ATOM 0 HA ALA A 58 -0.754 -2.997 -4.301 1.00 1.12 H new ATOM 0 HB1 ALA A 58 -1.777 -4.773 -5.686 1.00 1.30 H new ATOM 0 HB2 ALA A 58 -2.296 -3.155 -6.214 1.00 1.30 H new ATOM 0 HB3 ALA A 58 -1.066 -4.043 -7.144 1.00 1.30 H new ATOM 894 N GLU A 59 1.531 -4.458 -6.202 1.00 1.06 N ATOM 895 CA GLU A 59 2.413 -5.586 -6.327 1.00 1.09 C ATOM 896 C GLU A 59 3.613 -5.544 -5.392 1.00 0.94 C ATOM 897 O GLU A 59 3.967 -6.588 -4.847 1.00 0.90 O ATOM 898 CB GLU A 59 2.755 -5.703 -7.805 1.00 1.23 C ATOM 899 CG GLU A 59 1.581 -6.448 -8.457 1.00 1.75 C ATOM 900 CD GLU A 59 1.262 -6.138 -9.911 1.00 1.84 C ATOM 901 OE1 GLU A 59 2.068 -5.464 -10.583 1.00 2.64 O ATOM 902 OE2 GLU A 59 0.170 -6.619 -10.303 1.00 3.16 O ATOM 0 H GLU A 59 1.492 -3.887 -7.046 1.00 1.06 H new ATOM 0 HA GLU A 59 1.918 -6.497 -5.992 1.00 1.09 H new ATOM 0 HB2 GLU A 59 2.889 -4.718 -8.253 1.00 1.23 H new ATOM 0 HB3 GLU A 59 3.689 -6.247 -7.947 1.00 1.23 H new ATOM 0 HG2 GLU A 59 1.778 -7.517 -8.378 1.00 1.75 H new ATOM 0 HG3 GLU A 59 0.687 -6.245 -7.868 1.00 1.75 H new ATOM 909 N PHE A 60 4.185 -4.374 -5.107 1.00 1.03 N ATOM 910 CA PHE A 60 5.196 -4.305 -4.065 1.00 1.13 C ATOM 911 C PHE A 60 4.676 -4.910 -2.756 1.00 1.14 C ATOM 912 O PHE A 60 5.408 -5.585 -2.039 1.00 1.25 O ATOM 913 CB PHE A 60 5.627 -2.854 -3.862 1.00 1.29 C ATOM 914 CG PHE A 60 6.443 -2.265 -4.997 1.00 1.49 C ATOM 915 CD1 PHE A 60 7.647 -2.878 -5.398 1.00 2.32 C ATOM 916 CD2 PHE A 60 6.054 -1.050 -5.585 1.00 2.62 C ATOM 917 CE1 PHE A 60 8.439 -2.293 -6.399 1.00 2.85 C ATOM 918 CE2 PHE A 60 6.859 -0.455 -6.569 1.00 3.28 C ATOM 919 CZ PHE A 60 8.052 -1.073 -6.980 1.00 2.97 C ATOM 0 H PHE A 60 3.972 -3.490 -5.569 1.00 1.03 H new ATOM 0 HA PHE A 60 6.062 -4.890 -4.376 1.00 1.13 H new ATOM 0 HB2 PHE A 60 4.736 -2.242 -3.719 1.00 1.29 H new ATOM 0 HB3 PHE A 60 6.210 -2.789 -2.943 1.00 1.29 H new ATOM 0 HD1 PHE A 60 7.962 -3.801 -4.934 1.00 2.32 H new ATOM 0 HD2 PHE A 60 5.134 -0.573 -5.280 1.00 2.62 H new ATOM 0 HE1 PHE A 60 9.346 -2.781 -6.723 1.00 2.85 H new ATOM 0 HE2 PHE A 60 6.560 0.483 -7.013 1.00 3.28 H new ATOM 0 HZ PHE A 60 8.668 -0.613 -7.738 1.00 2.97 H new ATOM 929 N ILE A 61 3.394 -4.713 -2.443 1.00 1.07 N ATOM 930 CA ILE A 61 2.811 -5.242 -1.218 1.00 1.08 C ATOM 931 C ILE A 61 2.733 -6.776 -1.303 1.00 1.06 C ATOM 932 O ILE A 61 2.929 -7.469 -0.302 1.00 1.25 O ATOM 933 CB ILE A 61 1.445 -4.587 -0.944 1.00 1.07 C ATOM 934 CG1 ILE A 61 1.464 -3.056 -1.143 1.00 1.01 C ATOM 935 CG2 ILE A 61 1.015 -4.904 0.491 1.00 1.10 C ATOM 936 CD1 ILE A 61 0.058 -2.454 -1.125 1.00 1.49 C ATOM 0 H ILE A 61 2.741 -4.189 -3.026 1.00 1.07 H new ATOM 0 HA ILE A 61 3.447 -4.995 -0.368 1.00 1.08 H new ATOM 0 HB ILE A 61 0.738 -4.998 -1.665 1.00 1.07 H new ATOM 0 HG12 ILE A 61 2.064 -2.597 -0.358 1.00 1.01 H new ATOM 0 HG13 ILE A 61 1.946 -2.821 -2.092 1.00 1.01 H new ATOM 0 HG21 ILE A 61 0.048 -4.443 0.691 1.00 1.10 H new ATOM 0 HG22 ILE A 61 0.935 -5.984 0.617 1.00 1.10 H new ATOM 0 HG23 ILE A 61 1.756 -4.511 1.188 1.00 1.10 H new ATOM 0 HD11 ILE A 61 0.122 -1.375 -1.269 1.00 1.49 H new ATOM 0 HD12 ILE A 61 -0.536 -2.892 -1.927 1.00 1.49 H new ATOM 0 HD13 ILE A 61 -0.416 -2.665 -0.166 1.00 1.49 H new ATOM 948 N ARG A 62 2.496 -7.316 -2.507 1.00 0.86 N ATOM 949 CA ARG A 62 2.581 -8.752 -2.745 1.00 0.83 C ATOM 950 C ARG A 62 4.004 -9.227 -2.460 1.00 0.88 C ATOM 951 O ARG A 62 4.186 -10.160 -1.683 1.00 0.91 O ATOM 952 CB ARG A 62 2.127 -9.135 -4.163 1.00 0.81 C ATOM 953 CG ARG A 62 0.701 -8.657 -4.465 1.00 0.70 C ATOM 954 CD ARG A 62 0.261 -9.093 -5.870 1.00 0.93 C ATOM 955 NE ARG A 62 -0.990 -8.422 -6.265 1.00 1.86 N ATOM 956 CZ ARG A 62 -1.293 -7.996 -7.503 1.00 2.64 C ATOM 957 NH1 ARG A 62 -0.625 -8.442 -8.569 1.00 2.43 N ATOM 958 NH2 ARG A 62 -2.266 -7.097 -7.645 1.00 4.05 N ATOM 0 H ARG A 62 2.243 -6.771 -3.331 1.00 0.86 H new ATOM 0 HA ARG A 62 1.894 -9.256 -2.065 1.00 0.83 H new ATOM 0 HB2 ARG A 62 2.814 -8.704 -4.891 1.00 0.81 H new ATOM 0 HB3 ARG A 62 2.177 -10.218 -4.279 1.00 0.81 H new ATOM 0 HG2 ARG A 62 0.013 -9.062 -3.723 1.00 0.70 H new ATOM 0 HG3 ARG A 62 0.653 -7.571 -4.386 1.00 0.70 H new ATOM 0 HD2 ARG A 62 1.046 -8.859 -6.589 1.00 0.93 H new ATOM 0 HD3 ARG A 62 0.120 -10.174 -5.892 1.00 0.93 H new ATOM 0 HE ARG A 62 -1.686 -8.268 -5.536 1.00 1.86 H new ATOM 0 HH11 ARG A 62 0.130 -9.118 -8.452 1.00 2.43 H new ATOM 0 HH12 ARG A 62 -0.869 -8.107 -9.501 1.00 2.43 H new ATOM 0 HH21 ARG A 62 -2.762 -6.748 -6.825 1.00 4.05 H new ATOM 0 HH22 ARG A 62 -2.515 -6.758 -8.574 1.00 4.05 H new ATOM 972 N GLU A 63 5.012 -8.566 -3.037 1.00 0.98 N ATOM 973 CA GLU A 63 6.410 -8.875 -2.812 1.00 1.19 C ATOM 974 C GLU A 63 6.778 -8.812 -1.323 1.00 1.24 C ATOM 975 O GLU A 63 7.547 -9.643 -0.845 1.00 1.47 O ATOM 976 CB GLU A 63 7.255 -7.929 -3.661 1.00 1.32 C ATOM 977 CG GLU A 63 7.075 -8.180 -5.157 1.00 1.49 C ATOM 978 CD GLU A 63 7.963 -7.282 -6.009 1.00 2.01 C ATOM 979 OE1 GLU A 63 8.330 -6.198 -5.507 1.00 2.99 O ATOM 980 OE2 GLU A 63 8.260 -7.703 -7.147 1.00 2.58 O ATOM 0 H GLU A 63 4.867 -7.790 -3.683 1.00 0.98 H new ATOM 0 HA GLU A 63 6.611 -9.902 -3.116 1.00 1.19 H new ATOM 0 HB2 GLU A 63 6.984 -6.898 -3.432 1.00 1.32 H new ATOM 0 HB3 GLU A 63 8.306 -8.048 -3.398 1.00 1.32 H new ATOM 0 HG2 GLU A 63 7.301 -9.223 -5.377 1.00 1.49 H new ATOM 0 HG3 GLU A 63 6.032 -8.016 -5.427 1.00 1.49 H new ATOM 987 N LEU A 64 6.183 -7.883 -0.566 1.00 1.23 N ATOM 988 CA LEU A 64 6.392 -7.794 0.873 1.00 1.51 C ATOM 989 C LEU A 64 5.588 -8.867 1.620 1.00 1.37 C ATOM 990 O LEU A 64 5.917 -9.165 2.767 1.00 1.57 O ATOM 991 CB LEU A 64 6.006 -6.397 1.376 1.00 2.09 C ATOM 992 CG LEU A 64 6.925 -5.274 0.864 1.00 1.58 C ATOM 993 CD1 LEU A 64 6.451 -3.937 1.441 1.00 1.94 C ATOM 994 CD2 LEU A 64 8.384 -5.528 1.246 1.00 2.21 C ATOM 0 H LEU A 64 5.547 -7.177 -0.937 1.00 1.23 H new ATOM 0 HA LEU A 64 7.450 -7.967 1.072 1.00 1.51 H new ATOM 0 HB2 LEU A 64 4.982 -6.182 1.071 1.00 2.09 H new ATOM 0 HB3 LEU A 64 6.021 -6.397 2.466 1.00 2.09 H new ATOM 0 HG LEU A 64 6.871 -5.248 -0.224 1.00 1.58 H new ATOM 0 HD11 LEU A 64 7.098 -3.136 1.082 1.00 1.94 H new ATOM 0 HD12 LEU A 64 5.426 -3.746 1.122 1.00 1.94 H new ATOM 0 HD13 LEU A 64 6.491 -3.976 2.530 1.00 1.94 H new ATOM 0 HD21 LEU A 64 9.006 -4.716 0.869 1.00 2.21 H new ATOM 0 HD22 LEU A 64 8.472 -5.579 2.331 1.00 2.21 H new ATOM 0 HD23 LEU A 64 8.715 -6.471 0.811 1.00 2.21 H new ATOM 1006 N GLY A 65 4.572 -9.470 0.992 1.00 1.38 N ATOM 1007 CA GLY A 65 3.989 -10.715 1.474 1.00 1.92 C ATOM 1008 C GLY A 65 2.517 -10.899 1.114 1.00 1.46 C ATOM 1009 O GLY A 65 2.036 -12.031 1.117 1.00 1.89 O ATOM 0 H GLY A 65 4.138 -9.108 0.143 1.00 1.38 H new ATOM 0 HA2 GLY A 65 4.558 -11.551 1.067 1.00 1.92 H new ATOM 0 HA3 GLY A 65 4.094 -10.756 2.558 1.00 1.92 H new ATOM 1013 N PHE A 66 1.775 -9.812 0.874 1.00 1.16 N ATOM 1014 CA PHE A 66 0.331 -9.812 1.102 1.00 1.36 C ATOM 1015 C PHE A 66 -0.442 -9.485 -0.168 1.00 1.35 C ATOM 1016 O PHE A 66 -0.146 -8.522 -0.873 1.00 2.08 O ATOM 1017 CB PHE A 66 0.011 -8.871 2.269 1.00 1.71 C ATOM 1018 CG PHE A 66 0.877 -9.150 3.484 1.00 1.73 C ATOM 1019 CD1 PHE A 66 0.666 -10.329 4.225 1.00 3.00 C ATOM 1020 CD2 PHE A 66 2.040 -8.387 3.705 1.00 2.02 C ATOM 1021 CE1 PHE A 66 1.617 -10.747 5.173 1.00 3.45 C ATOM 1022 CE2 PHE A 66 2.997 -8.813 4.643 1.00 2.47 C ATOM 1023 CZ PHE A 66 2.785 -9.992 5.378 1.00 2.83 C ATOM 0 H PHE A 66 2.149 -8.930 0.525 1.00 1.16 H new ATOM 0 HA PHE A 66 0.003 -10.814 1.379 1.00 1.36 H new ATOM 0 HB2 PHE A 66 0.156 -7.838 1.951 1.00 1.71 H new ATOM 0 HB3 PHE A 66 -1.039 -8.977 2.541 1.00 1.71 H new ATOM 0 HD1 PHE A 66 -0.228 -10.913 4.065 1.00 3.00 H new ATOM 0 HD2 PHE A 66 2.197 -7.472 3.153 1.00 2.02 H new ATOM 0 HE1 PHE A 66 1.450 -11.648 5.744 1.00 3.45 H new ATOM 0 HE2 PHE A 66 3.895 -8.234 4.799 1.00 2.47 H new ATOM 0 HZ PHE A 66 3.519 -10.318 6.100 1.00 2.83 H new ATOM 1033 N GLY A 67 -1.431 -10.325 -0.477 1.00 1.27 N ATOM 1034 CA GLY A 67 -2.129 -10.308 -1.744 1.00 1.16 C ATOM 1035 C GLY A 67 -2.995 -9.065 -1.874 1.00 1.16 C ATOM 1036 O GLY A 67 -4.148 -9.039 -1.438 1.00 1.81 O ATOM 0 H GLY A 67 -1.768 -11.044 0.163 1.00 1.27 H new ATOM 0 HA2 GLY A 67 -1.408 -10.340 -2.561 1.00 1.16 H new ATOM 0 HA3 GLY A 67 -2.750 -11.199 -1.833 1.00 1.16 H new ATOM 1040 N ALA A 68 -2.387 -8.043 -2.460 1.00 0.78 N ATOM 1041 CA ALA A 68 -2.949 -6.725 -2.689 1.00 0.75 C ATOM 1042 C ALA A 68 -3.606 -6.619 -4.061 1.00 0.77 C ATOM 1043 O ALA A 68 -3.026 -7.057 -5.060 1.00 0.94 O ATOM 1044 CB ALA A 68 -1.840 -5.688 -2.550 1.00 0.78 C ATOM 0 H ALA A 68 -1.431 -8.120 -2.808 1.00 0.78 H new ATOM 0 HA ALA A 68 -3.728 -6.544 -1.948 1.00 0.75 H new ATOM 0 HB1 ALA A 68 -2.250 -4.692 -2.720 1.00 0.78 H new ATOM 0 HB2 ALA A 68 -1.417 -5.740 -1.547 1.00 0.78 H new ATOM 0 HB3 ALA A 68 -1.060 -5.889 -3.284 1.00 0.78 H new ATOM 1050 N THR A 69 -4.785 -5.993 -4.136 1.00 0.85 N ATOM 1051 CA THR A 69 -5.391 -5.573 -5.372 1.00 1.12 C ATOM 1052 C THR A 69 -5.898 -4.138 -5.192 1.00 0.92 C ATOM 1053 O THR A 69 -6.313 -3.741 -4.101 1.00 0.81 O ATOM 1054 CB THR A 69 -6.445 -6.595 -5.818 1.00 1.64 C ATOM 1055 OG1 THR A 69 -7.110 -6.059 -6.926 1.00 3.28 O ATOM 1056 CG2 THR A 69 -7.504 -6.933 -4.769 1.00 1.70 C ATOM 0 H THR A 69 -5.344 -5.766 -3.314 1.00 0.85 H new ATOM 0 HA THR A 69 -4.676 -5.547 -6.194 1.00 1.12 H new ATOM 0 HB THR A 69 -5.907 -7.520 -6.025 1.00 1.64 H new ATOM 0 HG1 THR A 69 -7.791 -6.692 -7.236 1.00 3.28 H new ATOM 0 HG21 THR A 69 -8.202 -7.663 -5.179 1.00 1.70 H new ATOM 0 HG22 THR A 69 -7.021 -7.350 -3.885 1.00 1.70 H new ATOM 0 HG23 THR A 69 -8.045 -6.028 -4.494 1.00 1.70 H new ATOM 1064 N VAL A 70 -5.790 -3.363 -6.273 1.00 0.96 N ATOM 1065 CA VAL A 70 -5.952 -1.919 -6.313 1.00 0.97 C ATOM 1066 C VAL A 70 -7.395 -1.573 -6.688 1.00 1.22 C ATOM 1067 O VAL A 70 -7.921 -2.123 -7.653 1.00 1.52 O ATOM 1068 CB VAL A 70 -4.909 -1.353 -7.298 1.00 1.14 C ATOM 1069 CG1 VAL A 70 -5.167 -1.723 -8.765 1.00 1.59 C ATOM 1070 CG2 VAL A 70 -4.806 0.165 -7.205 1.00 2.38 C ATOM 0 H VAL A 70 -5.575 -3.753 -7.191 1.00 0.96 H new ATOM 0 HA VAL A 70 -5.776 -1.463 -5.339 1.00 0.97 H new ATOM 0 HB VAL A 70 -3.974 -1.820 -6.990 1.00 1.14 H new ATOM 0 HG11 VAL A 70 -4.390 -1.287 -9.392 1.00 1.59 H new ATOM 0 HG12 VAL A 70 -5.155 -2.807 -8.874 1.00 1.59 H new ATOM 0 HG13 VAL A 70 -6.139 -1.338 -9.072 1.00 1.59 H new ATOM 0 HG21 VAL A 70 -4.061 0.523 -7.915 1.00 2.38 H new ATOM 0 HG22 VAL A 70 -5.773 0.610 -7.439 1.00 2.38 H new ATOM 0 HG23 VAL A 70 -4.511 0.448 -6.195 1.00 2.38 H new ATOM 1080 N ILE A 71 -8.049 -0.700 -5.915 1.00 1.16 N ATOM 1081 CA ILE A 71 -9.429 -0.293 -6.132 1.00 1.44 C ATOM 1082 C ILE A 71 -9.532 1.220 -5.919 1.00 1.47 C ATOM 1083 O ILE A 71 -9.160 1.719 -4.861 1.00 1.86 O ATOM 1084 CB ILE A 71 -10.320 -1.044 -5.126 1.00 1.51 C ATOM 1085 CG1 ILE A 71 -10.285 -2.573 -5.263 1.00 1.91 C ATOM 1086 CG2 ILE A 71 -11.742 -0.490 -5.061 1.00 2.22 C ATOM 1087 CD1 ILE A 71 -11.040 -3.097 -6.483 1.00 3.78 C ATOM 0 H ILE A 71 -7.619 -0.251 -5.106 1.00 1.16 H new ATOM 0 HA ILE A 71 -9.754 -0.530 -7.145 1.00 1.44 H new ATOM 0 HB ILE A 71 -9.864 -0.843 -4.157 1.00 1.51 H new ATOM 0 HG12 ILE A 71 -9.247 -2.900 -5.321 1.00 1.91 H new ATOM 0 HG13 ILE A 71 -10.710 -3.019 -4.364 1.00 1.91 H new ATOM 0 HG21 ILE A 71 -12.322 -1.060 -4.335 1.00 2.22 H new ATOM 0 HG22 ILE A 71 -11.711 0.557 -4.759 1.00 2.22 H new ATOM 0 HG23 ILE A 71 -12.209 -0.571 -6.042 1.00 2.22 H new ATOM 0 HD11 ILE A 71 -10.972 -4.184 -6.514 1.00 3.78 H new ATOM 0 HD12 ILE A 71 -12.087 -2.801 -6.418 1.00 3.78 H new ATOM 0 HD13 ILE A 71 -10.601 -2.680 -7.389 1.00 3.78 H new ATOM 1099 N GLU A 72 -10.081 1.949 -6.893 1.00 1.51 N ATOM 1100 CA GLU A 72 -10.513 3.334 -6.720 1.00 1.53 C ATOM 1101 C GLU A 72 -11.846 3.550 -7.445 1.00 1.85 C ATOM 1102 O GLU A 72 -12.029 4.502 -8.198 1.00 3.35 O ATOM 1103 CB GLU A 72 -9.398 4.337 -7.078 1.00 2.18 C ATOM 1104 CG GLU A 72 -8.611 4.059 -8.368 1.00 2.54 C ATOM 1105 CD GLU A 72 -7.459 5.055 -8.521 1.00 3.53 C ATOM 1106 OE1 GLU A 72 -6.401 4.800 -7.900 1.00 4.10 O ATOM 1107 OE2 GLU A 72 -7.653 6.060 -9.232 1.00 4.37 O ATOM 0 H GLU A 72 -10.239 1.588 -7.834 1.00 1.51 H new ATOM 0 HA GLU A 72 -10.704 3.534 -5.666 1.00 1.53 H new ATOM 0 HB2 GLU A 72 -9.844 5.328 -7.158 1.00 2.18 H new ATOM 0 HB3 GLU A 72 -8.692 4.371 -6.249 1.00 2.18 H new ATOM 0 HG2 GLU A 72 -8.220 3.042 -8.350 1.00 2.54 H new ATOM 0 HG3 GLU A 72 -9.276 4.129 -9.229 1.00 2.54 H new