USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=17 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 20 ASN : amide:sc= 0.995 K(o=1.5,f=-0.74) USER MOD Set 1.2: A 24 ASN : amide:sc= 0.518 K(o=1.5,f=-0.23) USER MOD Set 2.1: A 14 CYS SG : rot 171:sc= 0.187 USER MOD Set 2.2: A 17 CYS SG : rot 83:sc= 0.147 USER MOD Set 3.1: A 4 LYS NZ :NH3+ 150:sc= 2.34 (180deg=-0.0413) USER MOD Set 3.2: A 6 TYR OH : rot 150:sc= 0.965 USER MOD Set 4.1: A 5 CYS SG : rot 74:sc= 0.456 USER MOD Set 4.2: A 47 TYR OH : rot -141:sc= 0.348 USER MOD Single : A 2 SER OG : rot 37:sc= 0.234 USER MOD Single : A 3 SER OG : rot 180:sc= 0.152 USER MOD Single : A 8 GLN : amide:sc= 1.33 K(o=1.3,f=-0.086) USER MOD Single : A 10 THR OG1 : rot 75:sc= 1.15 USER MOD Single : A 12 MET CE :methyl -174:sc= 0 (180deg=-0.0168) USER MOD Single : A 13 THR OG1 : rot -56:sc= 0.652 USER MOD Single : A 16 SER OG : rot 180:sc= -0.204 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -171:sc=-0.000469 (180deg=-0.12) USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= 1.28 (180deg=1.06) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 53 GLN : amide:sc= -0.343 K(o=-0.34,f=-5.8!) 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 -0.759 13.338 -7.407 1.00 1.63 N ATOM 18 CA SER A 2 -0.799 12.992 -5.989 1.00 1.37 C ATOM 19 C SER A 2 -2.181 12.409 -5.692 1.00 1.56 C ATOM 20 O SER A 2 -2.955 12.899 -4.869 1.00 2.52 O ATOM 21 CB SER A 2 -0.547 14.241 -5.155 1.00 1.64 C ATOM 22 OG SER A 2 0.593 14.949 -5.603 1.00 2.29 O ATOM 0 HA SER A 2 -0.030 12.261 -5.741 1.00 1.37 H new ATOM 0 HB2 SER A 2 -1.420 14.891 -5.201 1.00 1.64 H new ATOM 0 HB3 SER A 2 -0.413 13.960 -4.110 1.00 1.64 H new ATOM 0 HG SER A 2 0.640 14.908 -6.581 1.00 2.29 H new ATOM 28 N SER A 3 -2.471 11.359 -6.439 1.00 0.75 N ATOM 29 CA SER A 3 -3.751 10.691 -6.606 1.00 0.67 C ATOM 30 C SER A 3 -3.958 9.672 -5.485 1.00 0.53 C ATOM 31 O SER A 3 -3.090 8.827 -5.286 1.00 0.86 O ATOM 32 CB SER A 3 -3.731 10.003 -7.986 1.00 0.87 C ATOM 33 OG SER A 3 -2.423 10.003 -8.554 1.00 2.19 O ATOM 0 H SER A 3 -1.747 10.909 -6.998 1.00 0.75 H new ATOM 0 HA SER A 3 -4.576 11.402 -6.555 1.00 0.67 H new ATOM 0 HB2 SER A 3 -4.085 8.977 -7.887 1.00 0.87 H new ATOM 0 HB3 SER A 3 -4.420 10.514 -8.658 1.00 0.87 H new ATOM 0 HG SER A 3 -2.445 9.558 -9.427 1.00 2.19 H new ATOM 39 N LYS A 4 -5.089 9.723 -4.768 1.00 0.83 N ATOM 40 CA LYS A 4 -5.404 8.713 -3.763 1.00 0.84 C ATOM 41 C LYS A 4 -6.002 7.486 -4.451 1.00 0.78 C ATOM 42 O LYS A 4 -6.772 7.645 -5.393 1.00 0.96 O ATOM 43 CB LYS A 4 -6.341 9.269 -2.673 1.00 1.09 C ATOM 44 CG LYS A 4 -6.847 8.129 -1.767 1.00 1.39 C ATOM 45 CD LYS A 4 -7.644 8.593 -0.542 1.00 2.13 C ATOM 46 CE LYS A 4 -8.722 7.531 -0.264 1.00 3.15 C ATOM 47 NZ LYS A 4 -9.403 7.683 1.037 1.00 4.16 N ATOM 0 H LYS A 4 -5.795 10.452 -4.869 1.00 0.83 H new ATOM 0 HA LYS A 4 -4.485 8.419 -3.256 1.00 0.84 H new ATOM 0 HB2 LYS A 4 -5.813 10.011 -2.074 1.00 1.09 H new ATOM 0 HB3 LYS A 4 -7.187 9.777 -3.136 1.00 1.09 H new ATOM 0 HG2 LYS A 4 -7.473 7.462 -2.360 1.00 1.39 H new ATOM 0 HG3 LYS A 4 -5.991 7.545 -1.428 1.00 1.39 H new ATOM 0 HD2 LYS A 4 -6.988 8.709 0.321 1.00 2.13 H new ATOM 0 HD3 LYS A 4 -8.102 9.565 -0.728 1.00 2.13 H new ATOM 0 HE2 LYS A 4 -9.468 7.571 -1.058 1.00 3.15 H new ATOM 0 HE3 LYS A 4 -8.262 6.544 -0.307 1.00 3.15 H new ATOM 0 HZ1 LYS A 4 -10.376 7.324 0.964 1.00 4.16 H new ATOM 0 HZ2 LYS A 4 -8.889 7.144 1.763 1.00 4.16 H new ATOM 0 HZ3 LYS A 4 -9.424 8.688 1.302 1.00 4.16 H new ATOM 61 N CYS A 5 -5.693 6.286 -3.945 1.00 0.70 N ATOM 62 CA CYS A 5 -6.339 5.045 -4.366 1.00 0.70 C ATOM 63 C CYS A 5 -6.507 4.124 -3.153 1.00 0.68 C ATOM 64 O CYS A 5 -5.775 4.284 -2.176 1.00 0.71 O ATOM 65 CB CYS A 5 -5.472 4.395 -5.438 1.00 0.78 C ATOM 66 SG CYS A 5 -6.287 2.934 -6.102 1.00 1.32 S ATOM 0 H CYS A 5 -4.982 6.152 -3.226 1.00 0.70 H new ATOM 0 HA CYS A 5 -7.328 5.241 -4.779 1.00 0.70 H new ATOM 0 HB2 CYS A 5 -5.279 5.108 -6.240 1.00 0.78 H new ATOM 0 HB3 CYS A 5 -4.505 4.120 -5.016 1.00 0.78 H new ATOM 0 HG CYS A 5 -7.266 3.297 -6.877 1.00 1.32 H new ATOM 72 N TYR A 6 -7.468 3.194 -3.189 1.00 0.70 N ATOM 73 CA TYR A 6 -7.688 2.194 -2.155 1.00 0.68 C ATOM 74 C TYR A 6 -7.123 0.861 -2.641 1.00 0.67 C ATOM 75 O TYR A 6 -7.283 0.493 -3.805 1.00 0.80 O ATOM 76 CB TYR A 6 -9.184 2.029 -1.857 1.00 0.74 C ATOM 77 CG TYR A 6 -9.897 3.275 -1.377 1.00 0.80 C ATOM 78 CD1 TYR A 6 -10.484 4.156 -2.305 1.00 2.31 C ATOM 79 CD2 TYR A 6 -10.049 3.507 0.001 1.00 1.66 C ATOM 80 CE1 TYR A 6 -11.183 5.290 -1.853 1.00 2.66 C ATOM 81 CE2 TYR A 6 -10.762 4.632 0.448 1.00 1.74 C ATOM 82 CZ TYR A 6 -11.319 5.525 -0.475 1.00 1.64 C ATOM 83 OH TYR A 6 -11.762 6.734 -0.021 1.00 2.13 O ATOM 0 H TYR A 6 -8.129 3.120 -3.962 1.00 0.70 H new ATOM 0 HA TYR A 6 -7.190 2.515 -1.240 1.00 0.68 H new ATOM 0 HB2 TYR A 6 -9.679 1.674 -2.761 1.00 0.74 H new ATOM 0 HB3 TYR A 6 -9.302 1.251 -1.103 1.00 0.74 H new ATOM 0 HD1 TYR A 6 -10.398 3.961 -3.364 1.00 2.31 H new ATOM 0 HD2 TYR A 6 -9.618 2.821 0.715 1.00 1.66 H new ATOM 0 HE1 TYR A 6 -11.614 5.979 -2.564 1.00 2.66 H new ATOM 0 HE2 TYR A 6 -10.881 4.808 1.507 1.00 1.74 H new ATOM 0 HH TYR A 6 -12.242 6.610 0.824 1.00 2.13 H new ATOM 93 N ILE A 7 -6.480 0.129 -1.736 1.00 0.64 N ATOM 94 CA ILE A 7 -5.959 -1.206 -1.948 1.00 0.62 C ATOM 95 C ILE A 7 -6.412 -2.003 -0.727 1.00 0.72 C ATOM 96 O ILE A 7 -6.256 -1.550 0.407 1.00 0.99 O ATOM 97 CB ILE A 7 -4.422 -1.175 -2.107 1.00 0.61 C ATOM 98 CG1 ILE A 7 -3.960 -0.201 -3.207 1.00 1.24 C ATOM 99 CG2 ILE A 7 -3.874 -2.562 -2.475 1.00 0.74 C ATOM 100 CD1 ILE A 7 -3.632 1.197 -2.676 1.00 2.09 C ATOM 0 H ILE A 7 -6.303 0.472 -0.792 1.00 0.64 H new ATOM 0 HA ILE A 7 -6.327 -1.663 -2.866 1.00 0.62 H new ATOM 0 HB ILE A 7 -4.039 -0.845 -1.141 1.00 0.61 H new ATOM 0 HG12 ILE A 7 -3.079 -0.611 -3.700 1.00 1.24 H new ATOM 0 HG13 ILE A 7 -4.740 -0.121 -3.964 1.00 1.24 H new ATOM 0 HG21 ILE A 7 -2.790 -2.509 -2.580 1.00 0.74 H new ATOM 0 HG22 ILE A 7 -4.128 -3.274 -1.689 1.00 0.74 H new ATOM 0 HG23 ILE A 7 -4.314 -2.889 -3.417 1.00 0.74 H new ATOM 0 HD11 ILE A 7 -3.313 1.834 -3.501 1.00 2.09 H new ATOM 0 HD12 ILE A 7 -4.518 1.626 -2.208 1.00 2.09 H new ATOM 0 HD13 ILE A 7 -2.831 1.128 -1.940 1.00 2.09 H new ATOM 112 N GLN A 8 -7.013 -3.170 -0.934 1.00 0.66 N ATOM 113 CA GLN A 8 -7.290 -4.094 0.126 1.00 0.69 C ATOM 114 C GLN A 8 -6.065 -4.999 0.157 1.00 0.69 C ATOM 115 O GLN A 8 -5.689 -5.555 -0.874 1.00 0.83 O ATOM 116 CB GLN A 8 -8.590 -4.809 -0.218 1.00 0.93 C ATOM 117 CG GLN A 8 -8.753 -6.049 0.639 1.00 1.46 C ATOM 118 CD GLN A 8 -8.941 -5.665 2.108 1.00 2.20 C ATOM 119 OE1 GLN A 8 -9.978 -5.108 2.453 1.00 2.58 O ATOM 120 NE2 GLN A 8 -7.964 -5.892 2.982 1.00 3.25 N ATOM 0 H GLN A 8 -7.318 -3.490 -1.853 1.00 0.66 H new ATOM 0 HA GLN A 8 -7.440 -3.657 1.113 1.00 0.69 H new ATOM 0 HB2 GLN A 8 -9.434 -4.138 -0.062 1.00 0.93 H new ATOM 0 HB3 GLN A 8 -8.593 -5.085 -1.273 1.00 0.93 H new ATOM 0 HG2 GLN A 8 -9.612 -6.625 0.295 1.00 1.46 H new ATOM 0 HG3 GLN A 8 -7.877 -6.689 0.534 1.00 1.46 H new ATOM 0 HE21 GLN A 8 -7.107 -6.356 2.680 1.00 3.25 H new ATOM 0 HE22 GLN A 8 -8.072 -5.602 3.954 1.00 3.25 H new ATOM 129 N VAL A 9 -5.440 -5.124 1.324 1.00 0.72 N ATOM 130 CA VAL A 9 -4.265 -5.953 1.531 1.00 0.77 C ATOM 131 C VAL A 9 -4.667 -7.153 2.377 1.00 0.85 C ATOM 132 O VAL A 9 -5.390 -7.003 3.359 1.00 1.11 O ATOM 133 CB VAL A 9 -3.130 -5.136 2.175 1.00 0.89 C ATOM 134 CG1 VAL A 9 -2.486 -4.225 1.124 1.00 2.26 C ATOM 135 CG2 VAL A 9 -3.589 -4.288 3.371 1.00 1.93 C ATOM 0 H VAL A 9 -5.746 -4.640 2.168 1.00 0.72 H new ATOM 0 HA VAL A 9 -3.880 -6.312 0.577 1.00 0.77 H new ATOM 0 HB VAL A 9 -2.408 -5.858 2.557 1.00 0.89 H new ATOM 0 HG11 VAL A 9 -1.683 -3.649 1.585 1.00 2.26 H new ATOM 0 HG12 VAL A 9 -2.079 -4.833 0.316 1.00 2.26 H new ATOM 0 HG13 VAL A 9 -3.237 -3.544 0.723 1.00 2.26 H new ATOM 0 HG21 VAL A 9 -2.739 -3.739 3.775 1.00 1.93 H new ATOM 0 HG22 VAL A 9 -4.354 -3.583 3.045 1.00 1.93 H new ATOM 0 HG23 VAL A 9 -4.000 -4.939 4.142 1.00 1.93 H new ATOM 145 N THR A 10 -4.201 -8.347 2.011 1.00 0.94 N ATOM 146 CA THR A 10 -4.356 -9.545 2.825 1.00 1.08 C ATOM 147 C THR A 10 -3.190 -9.629 3.811 1.00 1.26 C ATOM 148 O THR A 10 -2.489 -10.633 3.896 1.00 1.61 O ATOM 149 CB THR A 10 -4.515 -10.782 1.927 1.00 1.29 C ATOM 150 OG1 THR A 10 -5.412 -10.498 0.870 1.00 2.23 O ATOM 151 CG2 THR A 10 -5.082 -11.981 2.694 1.00 1.79 C ATOM 0 H THR A 10 -3.703 -8.508 1.136 1.00 0.94 H new ATOM 0 HA THR A 10 -5.269 -9.500 3.419 1.00 1.08 H new ATOM 0 HB THR A 10 -3.521 -11.028 1.554 1.00 1.29 H new ATOM 0 HG1 THR A 10 -4.964 -9.937 0.203 1.00 2.23 H new ATOM 0 HG21 THR A 10 -5.177 -12.832 2.020 1.00 1.79 H new ATOM 0 HG22 THR A 10 -4.410 -12.240 3.513 1.00 1.79 H new ATOM 0 HG23 THR A 10 -6.062 -11.725 3.096 1.00 1.79 H new ATOM 159 N GLY A 11 -3.031 -8.556 4.583 1.00 1.71 N ATOM 160 CA GLY A 11 -2.515 -8.601 5.932 1.00 1.75 C ATOM 161 C GLY A 11 -3.309 -7.530 6.649 1.00 1.63 C ATOM 162 O GLY A 11 -3.432 -6.400 6.184 1.00 3.16 O ATOM 0 H GLY A 11 -3.266 -7.613 4.272 1.00 1.71 H new ATOM 0 HA2 GLY A 11 -2.662 -9.581 6.386 1.00 1.75 H new ATOM 0 HA3 GLY A 11 -1.445 -8.394 5.960 1.00 1.75 H new ATOM 166 N MET A 12 -3.967 -7.970 7.706 1.00 1.53 N ATOM 167 CA MET A 12 -4.866 -7.177 8.528 1.00 2.05 C ATOM 168 C MET A 12 -4.547 -7.523 9.976 1.00 2.57 C ATOM 169 O MET A 12 -3.854 -6.777 10.662 1.00 2.95 O ATOM 170 CB MET A 12 -6.326 -7.466 8.148 1.00 2.40 C ATOM 171 CG MET A 12 -6.689 -6.813 6.806 1.00 2.10 C ATOM 172 SD MET A 12 -8.368 -7.132 6.207 1.00 3.13 S ATOM 173 CE MET A 12 -8.232 -8.869 5.732 1.00 4.25 C ATOM 0 H MET A 12 -3.886 -8.934 8.030 1.00 1.53 H new ATOM 0 HA MET A 12 -4.730 -6.107 8.374 1.00 2.05 H new ATOM 0 HB2 MET A 12 -6.482 -8.543 8.086 1.00 2.40 H new ATOM 0 HB3 MET A 12 -6.989 -7.092 8.929 1.00 2.40 H new ATOM 0 HG2 MET A 12 -6.555 -5.735 6.899 1.00 2.10 H new ATOM 0 HG3 MET A 12 -5.982 -7.158 6.052 1.00 2.10 H new ATOM 0 HE1 MET A 12 -9.154 -9.186 5.244 1.00 4.25 H new ATOM 0 HE2 MET A 12 -7.396 -8.994 5.044 1.00 4.25 H new ATOM 0 HE3 MET A 12 -8.064 -9.477 6.621 1.00 4.25 H new ATOM 183 N THR A 13 -4.924 -8.730 10.404 1.00 2.98 N ATOM 184 CA THR A 13 -4.384 -9.332 11.618 1.00 3.53 C ATOM 185 C THR A 13 -2.951 -9.824 11.348 1.00 2.66 C ATOM 186 O THR A 13 -2.623 -10.976 11.633 1.00 3.48 O ATOM 187 CB THR A 13 -5.341 -10.427 12.135 1.00 4.83 C ATOM 188 OG1 THR A 13 -4.778 -11.081 13.252 1.00 5.74 O ATOM 189 CG2 THR A 13 -5.713 -11.483 11.086 1.00 5.76 C ATOM 0 H THR A 13 -5.608 -9.312 9.920 1.00 2.98 H new ATOM 0 HA THR A 13 -4.314 -8.597 12.420 1.00 3.53 H new ATOM 0 HB THR A 13 -6.259 -9.904 12.404 1.00 4.83 H new ATOM 0 HG1 THR A 13 -3.899 -11.442 13.011 1.00 5.74 H new ATOM 0 HG21 THR A 13 -6.388 -12.215 11.530 1.00 5.76 H new ATOM 0 HG22 THR A 13 -6.206 -11.000 10.242 1.00 5.76 H new ATOM 0 HG23 THR A 13 -4.810 -11.985 10.739 1.00 5.76 H new ATOM 197 N CYS A 14 -2.110 -8.944 10.796 1.00 1.51 N ATOM 198 CA CYS A 14 -0.701 -9.158 10.531 1.00 1.44 C ATOM 199 C CYS A 14 0.032 -8.175 11.449 1.00 1.78 C ATOM 200 O CYS A 14 -0.275 -6.977 11.477 1.00 3.05 O ATOM 201 CB CYS A 14 -0.433 -8.980 9.034 1.00 1.94 C ATOM 202 SG CYS A 14 1.348 -8.945 8.714 1.00 2.48 S ATOM 0 H CYS A 14 -2.420 -8.015 10.510 1.00 1.51 H new ATOM 0 HA CYS A 14 -0.347 -10.166 10.749 1.00 1.44 H new ATOM 0 HB2 CYS A 14 -0.894 -9.795 8.476 1.00 1.94 H new ATOM 0 HB3 CYS A 14 -0.891 -8.055 8.683 1.00 1.94 H new ATOM 0 HG CYS A 14 1.559 -8.982 7.432 1.00 2.48 H new ATOM 207 N ALA A 15 0.894 -8.715 12.312 1.00 1.96 N ATOM 208 CA ALA A 15 1.322 -8.060 13.536 1.00 2.03 C ATOM 209 C ALA A 15 2.249 -6.881 13.259 1.00 1.80 C ATOM 210 O ALA A 15 3.467 -6.977 13.401 1.00 2.78 O ATOM 211 CB ALA A 15 1.959 -9.087 14.477 1.00 2.59 C ATOM 0 H ALA A 15 1.317 -9.633 12.173 1.00 1.96 H new ATOM 0 HA ALA A 15 0.445 -7.641 14.029 1.00 2.03 H new ATOM 0 HB1 ALA A 15 2.279 -8.591 15.394 1.00 2.59 H new ATOM 0 HB2 ALA A 15 1.230 -9.861 14.718 1.00 2.59 H new ATOM 0 HB3 ALA A 15 2.822 -9.541 13.990 1.00 2.59 H new ATOM 217 N SER A 16 1.632 -5.745 12.936 1.00 1.25 N ATOM 218 CA SER A 16 2.241 -4.472 12.579 1.00 1.31 C ATOM 219 C SER A 16 2.518 -4.432 11.074 1.00 1.36 C ATOM 220 O SER A 16 3.502 -3.845 10.623 1.00 1.71 O ATOM 221 CB SER A 16 3.484 -4.130 13.414 1.00 1.90 C ATOM 222 OG SER A 16 3.399 -4.614 14.740 1.00 2.53 O ATOM 0 H SER A 16 0.614 -5.691 12.917 1.00 1.25 H new ATOM 0 HA SER A 16 1.524 -3.688 12.822 1.00 1.31 H new ATOM 0 HB2 SER A 16 4.367 -4.551 12.933 1.00 1.90 H new ATOM 0 HB3 SER A 16 3.617 -3.048 13.434 1.00 1.90 H new ATOM 0 HG SER A 16 4.213 -4.373 15.229 1.00 2.53 H new ATOM 228 N CYS A 17 1.588 -4.999 10.301 1.00 1.48 N ATOM 229 CA CYS A 17 1.517 -4.878 8.849 1.00 1.78 C ATOM 230 C CYS A 17 1.675 -3.413 8.470 1.00 1.44 C ATOM 231 O CYS A 17 2.365 -3.053 7.518 1.00 1.52 O ATOM 232 CB CYS A 17 0.141 -5.372 8.380 1.00 2.27 C ATOM 233 SG CYS A 17 0.267 -6.080 6.721 1.00 3.78 S ATOM 0 H CYS A 17 0.839 -5.574 10.686 1.00 1.48 H new ATOM 0 HA CYS A 17 2.305 -5.469 8.382 1.00 1.78 H new ATOM 0 HB2 CYS A 17 -0.242 -6.120 9.075 1.00 2.27 H new ATOM 0 HB3 CYS A 17 -0.569 -4.545 8.378 1.00 2.27 H new ATOM 0 HG CYS A 17 0.683 -7.309 6.804 1.00 3.78 H new ATOM 238 N VAL A 18 1.016 -2.582 9.276 1.00 1.16 N ATOM 239 CA VAL A 18 0.919 -1.157 9.111 1.00 1.06 C ATOM 240 C VAL A 18 2.282 -0.510 9.297 1.00 0.79 C ATOM 241 O VAL A 18 2.778 0.154 8.397 1.00 0.72 O ATOM 242 CB VAL A 18 -0.179 -0.620 10.038 1.00 1.17 C ATOM 243 CG1 VAL A 18 -1.489 -1.371 9.790 1.00 2.07 C ATOM 244 CG2 VAL A 18 0.087 -0.669 11.542 1.00 2.22 C ATOM 0 H VAL A 18 0.514 -2.915 10.100 1.00 1.16 H new ATOM 0 HA VAL A 18 0.619 -0.897 8.096 1.00 1.06 H new ATOM 0 HB VAL A 18 -0.220 0.437 9.774 1.00 1.17 H new ATOM 0 HG11 VAL A 18 -2.262 -0.983 10.453 1.00 2.07 H new ATOM 0 HG12 VAL A 18 -1.797 -1.233 8.753 1.00 2.07 H new ATOM 0 HG13 VAL A 18 -1.342 -2.433 9.987 1.00 2.07 H new ATOM 0 HG21 VAL A 18 -0.770 -0.259 12.077 1.00 2.22 H new ATOM 0 HG22 VAL A 18 0.246 -1.702 11.850 1.00 2.22 H new ATOM 0 HG23 VAL A 18 0.975 -0.081 11.774 1.00 2.22 H new ATOM 254 N ALA A 19 2.933 -0.798 10.424 1.00 0.73 N ATOM 255 CA ALA A 19 4.304 -0.391 10.682 1.00 0.66 C ATOM 256 C ALA A 19 5.203 -0.779 9.507 1.00 0.73 C ATOM 257 O ALA A 19 6.013 0.022 9.045 1.00 0.74 O ATOM 258 CB ALA A 19 4.787 -1.057 11.970 1.00 0.82 C ATOM 0 H ALA A 19 2.514 -1.327 11.189 1.00 0.73 H new ATOM 0 HA ALA A 19 4.348 0.692 10.797 1.00 0.66 H new ATOM 0 HB1 ALA A 19 5.815 -0.757 12.171 1.00 0.82 H new ATOM 0 HB2 ALA A 19 4.150 -0.749 12.800 1.00 0.82 H new ATOM 0 HB3 ALA A 19 4.740 -2.140 11.859 1.00 0.82 H new ATOM 264 N ASN A 20 5.042 -2.011 9.015 1.00 0.93 N ATOM 265 CA ASN A 20 5.760 -2.492 7.839 1.00 1.11 C ATOM 266 C ASN A 20 5.483 -1.564 6.653 1.00 0.96 C ATOM 267 O ASN A 20 6.407 -0.991 6.081 1.00 0.93 O ATOM 268 CB ASN A 20 5.416 -3.973 7.577 1.00 1.43 C ATOM 269 CG ASN A 20 5.271 -4.334 6.098 1.00 1.77 C ATOM 270 OD1 ASN A 20 6.242 -4.673 5.429 1.00 2.03 O ATOM 271 ND2 ASN A 20 4.059 -4.266 5.562 1.00 1.89 N ATOM 0 H ASN A 20 4.410 -2.700 9.423 1.00 0.93 H new ATOM 0 HA ASN A 20 6.837 -2.463 8.006 1.00 1.11 H new ATOM 0 HB2 ASN A 20 6.194 -4.598 8.017 1.00 1.43 H new ATOM 0 HB3 ASN A 20 4.485 -4.214 8.091 1.00 1.43 H new ATOM 0 HD21 ASN A 20 3.923 -4.498 4.578 1.00 1.89 H new ATOM 0 HD22 ASN A 20 3.264 -3.982 6.134 1.00 1.89 H new ATOM 278 N ILE A 21 4.209 -1.377 6.313 1.00 0.96 N ATOM 279 CA ILE A 21 3.772 -0.544 5.208 1.00 1.03 C ATOM 280 C ILE A 21 4.389 0.851 5.322 1.00 0.80 C ATOM 281 O ILE A 21 5.029 1.305 4.381 1.00 0.83 O ATOM 282 CB ILE A 21 2.234 -0.532 5.158 1.00 1.34 C ATOM 283 CG1 ILE A 21 1.698 -1.817 4.501 1.00 1.72 C ATOM 284 CG2 ILE A 21 1.726 0.677 4.384 1.00 1.65 C ATOM 285 CD1 ILE A 21 0.209 -2.070 4.766 1.00 2.32 C ATOM 0 H ILE A 21 3.437 -1.815 6.815 1.00 0.96 H new ATOM 0 HA ILE A 21 4.120 -0.952 4.259 1.00 1.03 H new ATOM 0 HB ILE A 21 1.873 -0.477 6.185 1.00 1.34 H new ATOM 0 HG12 ILE A 21 1.862 -1.760 3.425 1.00 1.72 H new ATOM 0 HG13 ILE A 21 2.273 -2.668 4.866 1.00 1.72 H new ATOM 0 HG21 ILE A 21 0.636 0.664 4.362 1.00 1.65 H new ATOM 0 HG22 ILE A 21 2.068 1.590 4.871 1.00 1.65 H new ATOM 0 HG23 ILE A 21 2.110 0.644 3.364 1.00 1.65 H new ATOM 0 HD11 ILE A 21 -0.097 -2.992 4.272 1.00 2.32 H new ATOM 0 HD12 ILE A 21 0.041 -2.160 5.839 1.00 2.32 H new ATOM 0 HD13 ILE A 21 -0.377 -1.238 4.375 1.00 2.32 H new ATOM 297 N GLU A 22 4.211 1.525 6.459 1.00 0.70 N ATOM 298 CA GLU A 22 4.782 2.829 6.753 1.00 0.75 C ATOM 299 C GLU A 22 6.285 2.822 6.464 1.00 0.75 C ATOM 300 O GLU A 22 6.781 3.598 5.643 1.00 0.90 O ATOM 301 CB GLU A 22 4.510 3.150 8.231 1.00 0.84 C ATOM 302 CG GLU A 22 3.014 3.350 8.521 1.00 1.07 C ATOM 303 CD GLU A 22 2.659 2.996 9.961 1.00 2.07 C ATOM 304 OE1 GLU A 22 3.501 3.291 10.838 1.00 2.93 O ATOM 305 OE2 GLU A 22 1.562 2.430 10.159 1.00 2.84 O ATOM 0 H GLU A 22 3.644 1.160 7.224 1.00 0.70 H new ATOM 0 HA GLU A 22 4.327 3.594 6.123 1.00 0.75 H new ATOM 0 HB2 GLU A 22 4.893 2.340 8.852 1.00 0.84 H new ATOM 0 HB3 GLU A 22 5.055 4.051 8.511 1.00 0.84 H new ATOM 0 HG2 GLU A 22 2.742 4.387 8.325 1.00 1.07 H new ATOM 0 HG3 GLU A 22 2.427 2.733 7.841 1.00 1.07 H new ATOM 312 N ARG A 23 7.007 1.928 7.146 1.00 0.78 N ATOM 313 CA ARG A 23 8.443 1.806 7.074 1.00 1.11 C ATOM 314 C ARG A 23 8.917 1.605 5.635 1.00 1.22 C ATOM 315 O ARG A 23 9.934 2.183 5.247 1.00 1.53 O ATOM 316 CB ARG A 23 8.824 0.638 7.979 1.00 1.28 C ATOM 317 CG ARG A 23 10.317 0.457 8.199 1.00 1.85 C ATOM 318 CD ARG A 23 10.957 1.636 8.941 1.00 2.38 C ATOM 319 NE ARG A 23 12.303 1.288 9.424 1.00 3.30 N ATOM 320 CZ ARG A 23 13.041 2.043 10.254 1.00 4.06 C ATOM 321 NH1 ARG A 23 12.573 3.228 10.667 1.00 4.47 N ATOM 322 NH2 ARG A 23 14.238 1.613 10.667 1.00 5.12 N ATOM 0 H ARG A 23 6.582 1.253 7.781 1.00 0.78 H new ATOM 0 HA ARG A 23 8.933 2.720 7.410 1.00 1.11 H new ATOM 0 HB2 ARG A 23 8.343 0.776 8.947 1.00 1.28 H new ATOM 0 HB3 ARG A 23 8.421 -0.280 7.551 1.00 1.28 H new ATOM 0 HG2 ARG A 23 10.487 -0.458 8.766 1.00 1.85 H new ATOM 0 HG3 ARG A 23 10.809 0.331 7.234 1.00 1.85 H new ATOM 0 HD2 ARG A 23 11.017 2.499 8.277 1.00 2.38 H new ATOM 0 HD3 ARG A 23 10.328 1.925 9.783 1.00 2.38 H new ATOM 0 HE ARG A 23 12.706 0.407 9.104 1.00 3.30 H new ATOM 0 HH11 ARG A 23 11.659 3.554 10.351 1.00 4.47 H new ATOM 0 HH12 ARG A 23 13.130 3.805 11.297 1.00 4.47 H new ATOM 0 HH21 ARG A 23 14.592 0.710 10.352 1.00 5.12 H new ATOM 0 HH22 ARG A 23 14.797 2.188 11.297 1.00 5.12 H new ATOM 336 N ASN A 24 8.211 0.775 4.859 1.00 1.13 N ATOM 337 CA ASN A 24 8.567 0.528 3.469 1.00 1.39 C ATOM 338 C ASN A 24 8.232 1.761 2.626 1.00 1.36 C ATOM 339 O ASN A 24 9.102 2.345 1.997 1.00 1.71 O ATOM 340 CB ASN A 24 7.808 -0.670 2.856 1.00 1.59 C ATOM 341 CG ASN A 24 7.704 -1.955 3.663 1.00 2.32 C ATOM 342 OD1 ASN A 24 8.606 -2.319 4.412 1.00 3.52 O ATOM 343 ND2 ASN A 24 6.573 -2.643 3.481 1.00 2.47 N ATOM 0 H ASN A 24 7.388 0.264 5.177 1.00 1.13 H new ATOM 0 HA ASN A 24 9.634 0.305 3.461 1.00 1.39 H new ATOM 0 HB2 ASN A 24 6.795 -0.339 2.629 1.00 1.59 H new ATOM 0 HB3 ASN A 24 8.285 -0.913 1.906 1.00 1.59 H new ATOM 0 HD21 ASN A 24 6.425 -3.521 3.978 1.00 2.47 H new ATOM 0 HD22 ASN A 24 5.858 -2.290 2.845 1.00 2.47 H new ATOM 350 N LEU A 25 6.934 2.067 2.552 1.00 1.03 N ATOM 351 CA LEU A 25 6.248 2.875 1.562 1.00 0.87 C ATOM 352 C LEU A 25 6.332 4.380 1.730 1.00 0.97 C ATOM 353 O LEU A 25 5.933 5.110 0.832 1.00 1.52 O ATOM 354 CB LEU A 25 4.863 2.301 1.271 1.00 0.95 C ATOM 355 CG LEU A 25 4.980 0.825 0.820 1.00 1.76 C ATOM 356 CD1 LEU A 25 3.756 0.465 0.005 1.00 1.33 C ATOM 357 CD2 LEU A 25 6.166 0.473 -0.099 1.00 3.66 C ATOM 0 H LEU A 25 6.282 1.718 3.255 1.00 1.03 H new ATOM 0 HA LEU A 25 6.826 2.784 0.642 1.00 0.87 H new ATOM 0 HB2 LEU A 25 4.239 2.368 2.162 1.00 0.95 H new ATOM 0 HB3 LEU A 25 4.374 2.889 0.494 1.00 0.95 H new ATOM 0 HG LEU A 25 5.107 0.283 1.757 1.00 1.76 H new ATOM 0 HD11 LEU A 25 3.827 -0.573 -0.319 1.00 1.33 H new ATOM 0 HD12 LEU A 25 2.862 0.595 0.615 1.00 1.33 H new ATOM 0 HD13 LEU A 25 3.697 1.114 -0.869 1.00 1.33 H new ATOM 0 HD21 LEU A 25 6.135 -0.589 -0.343 1.00 3.66 H new ATOM 0 HD22 LEU A 25 6.101 1.058 -1.017 1.00 3.66 H new ATOM 0 HD23 LEU A 25 7.102 0.701 0.411 1.00 3.66 H new ATOM 369 N ARG A 26 6.825 4.837 2.878 1.00 0.95 N ATOM 370 CA ARG A 26 7.083 6.222 3.222 1.00 1.40 C ATOM 371 C ARG A 26 7.196 7.168 2.009 1.00 2.45 C ATOM 372 O ARG A 26 6.341 8.035 1.842 1.00 3.55 O ATOM 373 CB ARG A 26 8.437 6.220 3.981 1.00 1.41 C ATOM 374 CG ARG A 26 9.317 5.054 3.478 1.00 3.10 C ATOM 375 CD ARG A 26 10.843 5.146 3.517 1.00 4.76 C ATOM 376 NE ARG A 26 11.370 4.332 2.399 1.00 6.19 N ATOM 377 CZ ARG A 26 11.841 3.076 2.432 1.00 7.75 C ATOM 378 NH1 ARG A 26 11.977 2.426 3.591 1.00 8.07 N ATOM 379 NH2 ARG A 26 12.155 2.452 1.292 1.00 9.33 N ATOM 0 H ARG A 26 7.069 4.203 3.639 1.00 0.95 H new ATOM 0 HA ARG A 26 6.243 6.597 3.807 1.00 1.40 H new ATOM 0 HB2 ARG A 26 8.952 7.169 3.828 1.00 1.41 H new ATOM 0 HB3 ARG A 26 8.264 6.121 5.053 1.00 1.41 H new ATOM 0 HG2 ARG A 26 9.036 4.171 4.052 1.00 3.10 H new ATOM 0 HG3 ARG A 26 9.035 4.865 2.442 1.00 3.10 H new ATOM 0 HD2 ARG A 26 11.166 6.182 3.421 1.00 4.76 H new ATOM 0 HD3 ARG A 26 11.224 4.780 4.470 1.00 4.76 H new ATOM 0 HE ARG A 26 11.376 4.784 1.485 1.00 6.19 H new ATOM 0 HH11 ARG A 26 11.721 2.884 4.466 1.00 8.07 H new ATOM 0 HH12 ARG A 26 12.336 1.471 3.601 1.00 8.07 H new ATOM 0 HH21 ARG A 26 12.036 2.931 0.399 1.00 9.33 H new ATOM 0 HH22 ARG A 26 12.513 1.497 1.315 1.00 9.33 H new ATOM 393 N ARG A 27 8.282 7.073 1.235 1.00 2.85 N ATOM 394 CA ARG A 27 8.580 7.877 0.060 1.00 3.89 C ATOM 395 C ARG A 27 8.153 7.366 -1.304 1.00 3.26 C ATOM 396 O ARG A 27 7.534 8.039 -2.132 1.00 4.52 O ATOM 397 CB ARG A 27 10.048 8.279 0.113 1.00 4.95 C ATOM 398 CG ARG A 27 10.374 8.823 1.507 1.00 6.30 C ATOM 399 CD ARG A 27 9.560 10.077 1.859 1.00 8.41 C ATOM 400 NE ARG A 27 10.103 10.759 3.043 1.00 9.76 N ATOM 401 CZ ARG A 27 9.547 11.840 3.613 1.00 11.57 C ATOM 402 NH1 ARG A 27 8.405 12.336 3.122 1.00 12.30 N ATOM 403 NH2 ARG A 27 10.132 12.419 4.669 1.00 12.91 N ATOM 0 H ARG A 27 9.015 6.391 1.429 1.00 2.85 H new ATOM 0 HA ARG A 27 7.920 8.741 0.137 1.00 3.89 H new ATOM 0 HB2 ARG A 27 10.680 7.420 -0.112 1.00 4.95 H new ATOM 0 HB3 ARG A 27 10.257 9.036 -0.643 1.00 4.95 H new ATOM 0 HG2 ARG A 27 10.180 8.049 2.249 1.00 6.30 H new ATOM 0 HG3 ARG A 27 11.437 9.058 1.562 1.00 6.30 H new ATOM 0 HD2 ARG A 27 9.561 10.762 1.011 1.00 8.41 H new ATOM 0 HD3 ARG A 27 8.522 9.798 2.043 1.00 8.41 H new ATOM 0 HE ARG A 27 10.957 10.387 3.458 1.00 9.76 H new ATOM 0 HH11 ARG A 27 7.961 11.893 2.318 1.00 12.30 H new ATOM 0 HH12 ARG A 27 7.979 13.157 3.552 1.00 12.30 H new ATOM 0 HH21 ARG A 27 11.002 12.039 5.042 1.00 12.91 H new ATOM 0 HH22 ARG A 27 9.708 13.240 5.100 1.00 12.91 H new ATOM 417 N GLU A 28 8.745 6.211 -1.546 1.00 1.81 N ATOM 418 CA GLU A 28 9.134 5.546 -2.771 1.00 2.11 C ATOM 419 C GLU A 28 8.965 6.442 -3.996 1.00 1.75 C ATOM 420 O GLU A 28 8.154 6.175 -4.879 1.00 2.76 O ATOM 421 CB GLU A 28 8.488 4.156 -2.777 1.00 3.80 C ATOM 422 CG GLU A 28 8.421 3.624 -1.325 1.00 4.18 C ATOM 423 CD GLU A 28 9.778 3.628 -0.611 1.00 5.07 C ATOM 424 OE1 GLU A 28 10.586 2.700 -0.818 1.00 5.83 O ATOM 425 OE2 GLU A 28 10.028 4.606 0.135 1.00 5.65 O ATOM 0 H GLU A 28 9.004 5.626 -0.752 1.00 1.81 H new ATOM 0 HA GLU A 28 10.207 5.359 -2.825 1.00 2.11 H new ATOM 0 HB2 GLU A 28 7.487 4.208 -3.205 1.00 3.80 H new ATOM 0 HB3 GLU A 28 9.067 3.475 -3.401 1.00 3.80 H new ATOM 0 HG2 GLU A 28 7.718 4.231 -0.756 1.00 4.18 H new ATOM 0 HG3 GLU A 28 8.028 2.607 -1.336 1.00 4.18 H new ATOM 432 N GLU A 29 9.747 7.533 -3.957 1.00 1.81 N ATOM 433 CA GLU A 29 9.735 8.716 -4.805 1.00 2.85 C ATOM 434 C GLU A 29 8.431 8.889 -5.580 1.00 2.47 C ATOM 435 O GLU A 29 8.418 8.958 -6.803 1.00 3.49 O ATOM 436 CB GLU A 29 10.989 8.728 -5.686 1.00 4.33 C ATOM 437 CG GLU A 29 12.260 8.670 -4.824 1.00 5.07 C ATOM 438 CD GLU A 29 13.506 8.921 -5.662 1.00 6.03 C ATOM 439 OE1 GLU A 29 13.666 8.197 -6.667 1.00 6.37 O ATOM 440 OE2 GLU A 29 14.266 9.836 -5.281 1.00 6.94 O ATOM 0 H GLU A 29 10.479 7.606 -3.251 1.00 1.81 H new ATOM 0 HA GLU A 29 9.770 9.599 -4.167 1.00 2.85 H new ATOM 0 HB2 GLU A 29 10.968 7.879 -6.369 1.00 4.33 H new ATOM 0 HB3 GLU A 29 11.000 9.629 -6.299 1.00 4.33 H new ATOM 0 HG2 GLU A 29 12.198 9.413 -4.029 1.00 5.07 H new ATOM 0 HG3 GLU A 29 12.332 7.694 -4.343 1.00 5.07 H new ATOM 447 N GLY A 30 7.315 8.974 -4.857 1.00 1.50 N ATOM 448 CA GLY A 30 6.017 8.947 -5.512 1.00 1.06 C ATOM 449 C GLY A 30 4.857 8.729 -4.551 1.00 0.90 C ATOM 450 O GLY A 30 3.751 9.193 -4.828 1.00 1.12 O ATOM 0 H GLY A 30 7.286 9.060 -3.841 1.00 1.50 H new ATOM 0 HA2 GLY A 30 5.867 9.887 -6.043 1.00 1.06 H new ATOM 0 HA3 GLY A 30 6.013 8.154 -6.260 1.00 1.06 H new ATOM 454 N ILE A 31 5.087 8.037 -3.434 1.00 0.68 N ATOM 455 CA ILE A 31 4.087 7.858 -2.393 1.00 0.63 C ATOM 456 C ILE A 31 4.118 9.125 -1.552 1.00 0.74 C ATOM 457 O ILE A 31 5.095 9.384 -0.854 1.00 1.28 O ATOM 458 CB ILE A 31 4.400 6.612 -1.534 1.00 0.76 C ATOM 459 CG1 ILE A 31 4.666 5.446 -2.488 1.00 1.11 C ATOM 460 CG2 ILE A 31 3.303 6.306 -0.512 1.00 1.28 C ATOM 461 CD1 ILE A 31 4.484 4.016 -1.990 1.00 1.96 C ATOM 0 H ILE A 31 5.978 7.585 -3.230 1.00 0.68 H new ATOM 0 HA ILE A 31 3.098 7.695 -2.820 1.00 0.63 H new ATOM 0 HB ILE A 31 5.286 6.797 -0.926 1.00 0.76 H new ATOM 0 HG12 ILE A 31 4.016 5.576 -3.353 1.00 1.11 H new ATOM 0 HG13 ILE A 31 5.692 5.541 -2.843 1.00 1.11 H new ATOM 0 HG21 ILE A 31 3.577 5.421 0.062 1.00 1.28 H new ATOM 0 HG22 ILE A 31 3.187 7.154 0.162 1.00 1.28 H new ATOM 0 HG23 ILE A 31 2.362 6.124 -1.032 1.00 1.28 H new ATOM 0 HD11 ILE A 31 4.714 3.318 -2.795 1.00 1.96 H new ATOM 0 HD12 ILE A 31 5.155 3.835 -1.150 1.00 1.96 H new ATOM 0 HD13 ILE A 31 3.453 3.871 -1.669 1.00 1.96 H new ATOM 473 N TYR A 32 3.048 9.917 -1.612 1.00 0.52 N ATOM 474 CA TYR A 32 2.856 10.978 -0.640 1.00 0.68 C ATOM 475 C TYR A 32 1.527 10.807 0.082 1.00 0.70 C ATOM 476 O TYR A 32 0.804 11.756 0.382 1.00 0.86 O ATOM 477 CB TYR A 32 2.854 12.298 -1.381 1.00 0.88 C ATOM 478 CG TYR A 32 4.026 12.511 -2.320 1.00 1.06 C ATOM 479 CD1 TYR A 32 5.296 12.843 -1.814 1.00 1.93 C ATOM 480 CD2 TYR A 32 3.868 12.255 -3.696 1.00 2.01 C ATOM 481 CE1 TYR A 32 6.400 12.929 -2.681 1.00 2.45 C ATOM 482 CE2 TYR A 32 4.970 12.346 -4.562 1.00 2.60 C ATOM 483 CZ TYR A 32 6.237 12.671 -4.053 1.00 2.49 C ATOM 484 OH TYR A 32 7.302 12.740 -4.903 1.00 3.29 O ATOM 0 H TYR A 32 2.313 9.842 -2.315 1.00 0.52 H new ATOM 0 HA TYR A 32 3.657 10.947 0.099 1.00 0.68 H new ATOM 0 HB2 TYR A 32 1.930 12.373 -1.955 1.00 0.88 H new ATOM 0 HB3 TYR A 32 2.842 13.107 -0.651 1.00 0.88 H new ATOM 0 HD1 TYR A 32 5.423 13.032 -0.758 1.00 1.93 H new ATOM 0 HD2 TYR A 32 2.897 11.988 -4.086 1.00 2.01 H new ATOM 0 HE1 TYR A 32 7.373 13.193 -2.293 1.00 2.45 H new ATOM 0 HE2 TYR A 32 4.843 12.166 -5.619 1.00 2.60 H new ATOM 0 HH TYR A 32 7.008 12.531 -5.814 1.00 3.29 H new ATOM 494 N SER A 33 1.284 9.564 0.454 1.00 0.66 N ATOM 495 CA SER A 33 0.632 9.133 1.682 1.00 0.82 C ATOM 496 C SER A 33 0.890 7.646 1.790 1.00 0.84 C ATOM 497 O SER A 33 0.694 6.951 0.790 1.00 1.04 O ATOM 498 CB SER A 33 -0.879 9.402 1.708 1.00 0.98 C ATOM 499 OG SER A 33 -1.428 9.029 2.961 1.00 1.73 O ATOM 0 H SER A 33 1.554 8.774 -0.132 1.00 0.66 H new ATOM 0 HA SER A 33 1.038 9.700 2.520 1.00 0.82 H new ATOM 0 HB2 SER A 33 -1.070 10.459 1.521 1.00 0.98 H new ATOM 0 HB3 SER A 33 -1.368 8.844 0.909 1.00 0.98 H new ATOM 0 HG SER A 33 -2.392 9.208 2.962 1.00 1.73 H new ATOM 505 N ILE A 34 1.218 7.141 2.978 1.00 0.86 N ATOM 506 CA ILE A 34 1.282 5.705 3.135 1.00 0.79 C ATOM 507 C ILE A 34 -0.149 5.195 3.280 1.00 1.23 C ATOM 508 O ILE A 34 -1.062 5.910 3.692 1.00 1.77 O ATOM 509 CB ILE A 34 2.223 5.279 4.277 1.00 0.95 C ATOM 510 CG1 ILE A 34 1.749 5.674 5.687 1.00 1.76 C ATOM 511 CG2 ILE A 34 3.628 5.841 4.017 1.00 0.97 C ATOM 512 CD1 ILE A 34 0.768 4.655 6.279 1.00 1.91 C ATOM 0 H ILE A 34 1.435 7.687 3.812 1.00 0.86 H new ATOM 0 HA ILE A 34 1.730 5.243 2.255 1.00 0.79 H new ATOM 0 HB ILE A 34 2.228 4.189 4.271 1.00 0.95 H new ATOM 0 HG12 ILE A 34 2.613 5.768 6.345 1.00 1.76 H new ATOM 0 HG13 ILE A 34 1.272 6.653 5.646 1.00 1.76 H new ATOM 0 HG21 ILE A 34 4.295 5.540 4.825 1.00 0.97 H new ATOM 0 HG22 ILE A 34 4.006 5.453 3.071 1.00 0.97 H new ATOM 0 HG23 ILE A 34 3.582 6.929 3.971 1.00 0.97 H new ATOM 0 HD11 ILE A 34 0.463 4.979 7.274 1.00 1.91 H new ATOM 0 HD12 ILE A 34 -0.110 4.580 5.637 1.00 1.91 H new ATOM 0 HD13 ILE A 34 1.252 3.681 6.347 1.00 1.91 H new ATOM 524 N LEU A 35 -0.317 3.955 2.844 1.00 1.28 N ATOM 525 CA LEU A 35 -1.527 3.224 2.626 1.00 1.86 C ATOM 526 C LEU A 35 -1.862 2.388 3.846 1.00 1.24 C ATOM 527 O LEU A 35 -1.701 1.171 3.822 1.00 1.35 O ATOM 528 CB LEU A 35 -1.328 2.338 1.379 1.00 2.85 C ATOM 529 CG LEU A 35 0.008 1.571 1.434 1.00 3.57 C ATOM 530 CD1 LEU A 35 -0.016 0.095 1.011 1.00 4.00 C ATOM 531 CD2 LEU A 35 1.086 2.344 0.656 1.00 4.33 C ATOM 0 H LEU A 35 0.495 3.384 2.612 1.00 1.28 H new ATOM 0 HA LEU A 35 -2.362 3.905 2.461 1.00 1.86 H new ATOM 0 HB2 LEU A 35 -2.152 1.629 1.301 1.00 2.85 H new ATOM 0 HB3 LEU A 35 -1.355 2.958 0.483 1.00 2.85 H new ATOM 0 HG LEU A 35 0.244 1.520 2.497 1.00 3.57 H new ATOM 0 HD11 LEU A 35 0.986 -0.324 1.096 1.00 4.00 H new ATOM 0 HD12 LEU A 35 -0.697 -0.458 1.658 1.00 4.00 H new ATOM 0 HD13 LEU A 35 -0.355 0.018 -0.022 1.00 4.00 H new ATOM 0 HD21 LEU A 35 2.028 1.797 0.698 1.00 4.33 H new ATOM 0 HD22 LEU A 35 0.776 2.453 -0.383 1.00 4.33 H new ATOM 0 HD23 LEU A 35 1.219 3.330 1.101 1.00 4.33 H new ATOM 543 N VAL A 36 -2.394 3.015 4.889 1.00 0.97 N ATOM 544 CA VAL A 36 -2.972 2.274 5.984 1.00 0.69 C ATOM 545 C VAL A 36 -4.339 2.851 6.304 1.00 0.76 C ATOM 546 O VAL A 36 -4.538 4.064 6.313 1.00 1.50 O ATOM 547 CB VAL A 36 -2.025 2.258 7.186 1.00 0.98 C ATOM 548 CG1 VAL A 36 -2.771 1.747 8.418 1.00 1.13 C ATOM 549 CG2 VAL A 36 -0.878 1.296 6.867 1.00 1.19 C ATOM 0 H VAL A 36 -2.433 4.029 4.992 1.00 0.97 H new ATOM 0 HA VAL A 36 -3.112 1.230 5.703 1.00 0.69 H new ATOM 0 HB VAL A 36 -1.648 3.262 7.384 1.00 0.98 H new ATOM 0 HG11 VAL A 36 -2.096 1.736 9.274 1.00 1.13 H new ATOM 0 HG12 VAL A 36 -3.615 2.403 8.630 1.00 1.13 H new ATOM 0 HG13 VAL A 36 -3.135 0.737 8.230 1.00 1.13 H new ATOM 0 HG21 VAL A 36 -0.185 1.264 7.708 1.00 1.19 H new ATOM 0 HG22 VAL A 36 -1.279 0.298 6.689 1.00 1.19 H new ATOM 0 HG23 VAL A 36 -0.352 1.640 5.976 1.00 1.19 H new ATOM 559 N ALA A 37 -5.258 1.935 6.583 1.00 0.62 N ATOM 560 CA ALA A 37 -6.571 2.206 7.144 1.00 0.63 C ATOM 561 C ALA A 37 -7.021 0.925 7.840 1.00 0.64 C ATOM 562 O ALA A 37 -8.082 0.361 7.570 1.00 0.67 O ATOM 563 CB ALA A 37 -7.531 2.668 6.044 1.00 0.64 C ATOM 0 H ALA A 37 -5.100 0.941 6.416 1.00 0.62 H new ATOM 0 HA ALA A 37 -6.550 3.018 7.871 1.00 0.63 H new ATOM 0 HB1 ALA A 37 -8.511 2.868 6.477 1.00 0.64 H new ATOM 0 HB2 ALA A 37 -7.146 3.577 5.583 1.00 0.64 H new ATOM 0 HB3 ALA A 37 -7.620 1.888 5.288 1.00 0.64 H new ATOM 569 N LEU A 38 -6.179 0.468 8.765 1.00 0.73 N ATOM 570 CA LEU A 38 -6.319 -0.811 9.441 1.00 0.77 C ATOM 571 C LEU A 38 -7.488 -0.785 10.428 1.00 1.00 C ATOM 572 O LEU A 38 -8.067 -1.822 10.734 1.00 1.29 O ATOM 573 CB LEU A 38 -4.958 -1.166 10.043 1.00 0.98 C ATOM 574 CG LEU A 38 -4.782 -2.561 10.660 1.00 1.84 C ATOM 575 CD1 LEU A 38 -5.139 -2.605 12.150 1.00 2.50 C ATOM 576 CD2 LEU A 38 -5.478 -3.686 9.890 1.00 3.06 C ATOM 0 H LEU A 38 -5.360 0.995 9.070 1.00 0.73 H new ATOM 0 HA LEU A 38 -6.586 -1.611 8.751 1.00 0.77 H new ATOM 0 HB2 LEU A 38 -4.207 -1.050 9.261 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -4.732 -0.429 10.814 1.00 0.98 H new ATOM 0 HG LEU A 38 -3.713 -2.754 10.570 1.00 1.84 H new ATOM 0 HD11 LEU A 38 -4.995 -3.617 12.529 1.00 2.50 H new ATOM 0 HD12 LEU A 38 -4.496 -1.917 12.699 1.00 2.50 H new ATOM 0 HD13 LEU A 38 -6.181 -2.313 12.283 1.00 2.50 H new ATOM 0 HD21 LEU A 38 -5.302 -4.636 10.395 1.00 3.06 H new ATOM 0 HD22 LEU A 38 -6.549 -3.490 9.849 1.00 3.06 H new ATOM 0 HD23 LEU A 38 -5.079 -3.734 8.877 1.00 3.06 H new ATOM 588 N MET A 39 -7.910 0.417 10.839 1.00 1.06 N ATOM 589 CA MET A 39 -9.191 0.641 11.496 1.00 1.23 C ATOM 590 C MET A 39 -10.320 -0.105 10.767 1.00 1.11 C ATOM 591 O MET A 39 -11.216 -0.639 11.414 1.00 1.41 O ATOM 592 CB MET A 39 -9.449 2.153 11.555 1.00 1.41 C ATOM 593 CG MET A 39 -10.684 2.501 12.396 1.00 2.27 C ATOM 594 SD MET A 39 -11.112 4.261 12.475 1.00 2.82 S ATOM 595 CE MET A 39 -9.655 4.945 13.296 1.00 3.40 C ATOM 0 H MET A 39 -7.360 1.268 10.720 1.00 1.06 H new ATOM 0 HA MET A 39 -9.164 0.245 12.511 1.00 1.23 H new ATOM 0 HB2 MET A 39 -8.575 2.652 11.973 1.00 1.41 H new ATOM 0 HB3 MET A 39 -9.581 2.536 10.543 1.00 1.41 H new ATOM 0 HG2 MET A 39 -11.539 1.956 11.995 1.00 2.27 H new ATOM 0 HG3 MET A 39 -10.523 2.139 13.412 1.00 2.27 H new ATOM 0 HE1 MET A 39 -9.840 5.987 13.557 1.00 3.40 H new ATOM 0 HE2 MET A 39 -9.447 4.376 14.202 1.00 3.40 H new ATOM 0 HE3 MET A 39 -8.798 4.886 12.625 1.00 3.40 H new ATOM 605 N ALA A 40 -10.270 -0.140 9.428 1.00 0.97 N ATOM 606 CA ALA A 40 -11.153 -0.969 8.617 1.00 1.06 C ATOM 607 C ALA A 40 -10.466 -2.294 8.271 1.00 1.18 C ATOM 608 O ALA A 40 -11.070 -3.354 8.412 1.00 1.79 O ATOM 609 CB ALA A 40 -11.546 -0.201 7.356 1.00 1.07 C ATOM 0 H ALA A 40 -9.610 0.412 8.880 1.00 0.97 H new ATOM 0 HA ALA A 40 -12.057 -1.203 9.178 1.00 1.06 H new ATOM 0 HB1 ALA A 40 -12.207 -0.817 6.746 1.00 1.07 H new ATOM 0 HB2 ALA A 40 -12.062 0.718 7.635 1.00 1.07 H new ATOM 0 HB3 ALA A 40 -10.650 0.045 6.786 1.00 1.07 H new ATOM 615 N GLY A 41 -9.219 -2.227 7.792 1.00 0.82 N ATOM 616 CA GLY A 41 -8.431 -3.377 7.363 1.00 0.91 C ATOM 617 C GLY A 41 -8.063 -3.231 5.892 1.00 0.76 C ATOM 618 O GLY A 41 -8.380 -4.103 5.087 1.00 0.85 O ATOM 0 H GLY A 41 -8.720 -1.343 7.691 1.00 0.82 H new ATOM 0 HA2 GLY A 41 -7.527 -3.456 7.967 1.00 0.91 H new ATOM 0 HA3 GLY A 41 -8.998 -4.295 7.516 1.00 0.91 H new ATOM 622 N LYS A 42 -7.434 -2.112 5.523 1.00 0.65 N ATOM 623 CA LYS A 42 -7.159 -1.780 4.138 1.00 0.68 C ATOM 624 C LYS A 42 -6.023 -0.765 4.114 1.00 0.57 C ATOM 625 O LYS A 42 -5.518 -0.370 5.168 1.00 0.57 O ATOM 626 CB LYS A 42 -8.418 -1.291 3.399 1.00 0.89 C ATOM 627 CG LYS A 42 -9.347 -0.435 4.267 1.00 1.37 C ATOM 628 CD LYS A 42 -10.079 0.593 3.396 1.00 1.91 C ATOM 629 CE LYS A 42 -11.076 1.403 4.235 1.00 2.98 C ATOM 630 NZ LYS A 42 -11.566 2.585 3.501 1.00 4.11 N ATOM 0 H LYS A 42 -7.103 -1.412 6.187 1.00 0.65 H new ATOM 0 HA LYS A 42 -6.849 -2.673 3.595 1.00 0.68 H new ATOM 0 HB2 LYS A 42 -8.115 -0.712 2.526 1.00 0.89 H new ATOM 0 HB3 LYS A 42 -8.972 -2.155 3.032 1.00 0.89 H new ATOM 0 HG2 LYS A 42 -10.070 -1.071 4.778 1.00 1.37 H new ATOM 0 HG3 LYS A 42 -8.770 0.075 5.038 1.00 1.37 H new ATOM 0 HD2 LYS A 42 -9.356 1.265 2.932 1.00 1.91 H new ATOM 0 HD3 LYS A 42 -10.605 0.084 2.588 1.00 1.91 H new ATOM 0 HE2 LYS A 42 -11.919 0.770 4.511 1.00 2.98 H new ATOM 0 HE3 LYS A 42 -10.599 1.721 5.162 1.00 2.98 H new ATOM 0 HZ1 LYS A 42 -12.429 2.943 3.957 1.00 4.11 H new ATOM 0 HZ2 LYS A 42 -10.836 3.326 3.510 1.00 4.11 H new ATOM 0 HZ3 LYS A 42 -11.778 2.320 2.518 1.00 4.11 H new ATOM 644 N ALA A 43 -5.625 -0.391 2.902 1.00 0.87 N ATOM 645 CA ALA A 43 -4.449 0.373 2.571 1.00 0.77 C ATOM 646 C ALA A 43 -4.848 1.497 1.605 1.00 0.77 C ATOM 647 O ALA A 43 -5.442 1.212 0.570 1.00 0.90 O ATOM 648 CB ALA A 43 -3.464 -0.631 1.947 1.00 0.86 C ATOM 0 H ALA A 43 -6.163 -0.637 2.071 1.00 0.87 H new ATOM 0 HA ALA A 43 -3.983 0.854 3.431 1.00 0.77 H new ATOM 0 HB1 ALA A 43 -2.544 -0.115 1.671 1.00 0.86 H new ATOM 0 HB2 ALA A 43 -3.237 -1.415 2.669 1.00 0.86 H new ATOM 0 HB3 ALA A 43 -3.912 -1.075 1.058 1.00 0.86 H new ATOM 654 N GLU A 44 -4.554 2.765 1.935 1.00 0.75 N ATOM 655 CA GLU A 44 -4.972 3.920 1.137 1.00 0.82 C ATOM 656 C GLU A 44 -3.819 4.829 0.719 1.00 0.97 C ATOM 657 O GLU A 44 -3.492 5.792 1.410 1.00 1.70 O ATOM 658 CB GLU A 44 -6.048 4.726 1.872 1.00 1.00 C ATOM 659 CG GLU A 44 -7.142 3.814 2.429 1.00 1.65 C ATOM 660 CD GLU A 44 -8.394 4.578 2.841 1.00 2.13 C ATOM 661 OE1 GLU A 44 -8.471 5.799 2.569 1.00 2.28 O ATOM 662 OE2 GLU A 44 -9.313 3.910 3.361 1.00 3.29 O ATOM 0 H GLU A 44 -4.018 3.015 2.766 1.00 0.75 H new ATOM 0 HA GLU A 44 -5.387 3.511 0.216 1.00 0.82 H new ATOM 0 HB2 GLU A 44 -5.591 5.289 2.686 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -6.490 5.453 1.191 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -7.407 3.070 1.677 1.00 1.65 H new ATOM 0 HG3 GLU A 44 -6.753 3.272 3.291 1.00 1.65 H new ATOM 669 N VAL A 45 -3.208 4.546 -0.427 1.00 0.59 N ATOM 670 CA VAL A 45 -2.035 5.244 -0.877 1.00 0.63 C ATOM 671 C VAL A 45 -2.459 6.584 -1.464 1.00 0.61 C ATOM 672 O VAL A 45 -3.559 6.698 -2.008 1.00 0.78 O ATOM 673 CB VAL A 45 -1.397 4.356 -1.957 1.00 0.72 C ATOM 674 CG1 VAL A 45 -2.204 4.320 -3.257 1.00 1.33 C ATOM 675 CG2 VAL A 45 0.018 4.824 -2.231 1.00 1.64 C ATOM 0 H VAL A 45 -3.525 3.817 -1.066 1.00 0.59 H new ATOM 0 HA VAL A 45 -1.328 5.435 -0.070 1.00 0.63 H new ATOM 0 HB VAL A 45 -1.387 3.337 -1.570 1.00 0.72 H new ATOM 0 HG11 VAL A 45 -1.702 3.677 -3.979 1.00 1.33 H new ATOM 0 HG12 VAL A 45 -3.202 3.930 -3.055 1.00 1.33 H new ATOM 0 HG13 VAL A 45 -2.284 5.328 -3.663 1.00 1.33 H new ATOM 0 HG21 VAL A 45 0.468 4.193 -2.997 1.00 1.64 H new ATOM 0 HG22 VAL A 45 -0.001 5.857 -2.577 1.00 1.64 H new ATOM 0 HG23 VAL A 45 0.606 4.759 -1.316 1.00 1.64 H new ATOM 685 N ARG A 46 -1.564 7.574 -1.402 1.00 0.55 N ATOM 686 CA ARG A 46 -1.593 8.705 -2.313 1.00 0.50 C ATOM 687 C ARG A 46 -0.325 8.625 -3.150 1.00 0.53 C ATOM 688 O ARG A 46 0.765 8.750 -2.598 1.00 0.73 O ATOM 689 CB ARG A 46 -1.745 10.025 -1.554 1.00 0.66 C ATOM 690 CG ARG A 46 -1.891 11.201 -2.522 1.00 1.03 C ATOM 691 CD ARG A 46 -2.069 12.524 -1.766 1.00 1.35 C ATOM 692 NE ARG A 46 -3.323 12.559 -0.999 1.00 2.04 N ATOM 693 CZ ARG A 46 -4.538 12.831 -1.502 1.00 3.26 C ATOM 694 NH1 ARG A 46 -4.706 13.032 -2.815 1.00 4.46 N ATOM 695 NH2 ARG A 46 -5.592 12.905 -0.679 1.00 4.35 N ATOM 0 H ARG A 46 -0.806 7.608 -0.720 1.00 0.55 H new ATOM 0 HA ARG A 46 -2.460 8.669 -2.972 1.00 0.50 H new ATOM 0 HB2 ARG A 46 -2.617 9.975 -0.902 1.00 0.66 H new ATOM 0 HB3 ARG A 46 -0.877 10.182 -0.913 1.00 0.66 H new ATOM 0 HG2 ARG A 46 -1.010 11.260 -3.161 1.00 1.03 H new ATOM 0 HG3 ARG A 46 -2.748 11.034 -3.174 1.00 1.03 H new ATOM 0 HD2 ARG A 46 -1.227 12.671 -1.090 1.00 1.35 H new ATOM 0 HD3 ARG A 46 -2.056 13.351 -2.476 1.00 1.35 H new ATOM 0 HE ARG A 46 -3.265 12.360 -0.000 1.00 2.04 H new ATOM 0 HH11 ARG A 46 -3.906 12.979 -3.445 1.00 4.46 H new ATOM 0 HH12 ARG A 46 -5.634 13.238 -3.185 1.00 4.46 H new ATOM 0 HH21 ARG A 46 -5.469 12.755 0.322 1.00 4.35 H new ATOM 0 HH22 ARG A 46 -6.518 13.111 -1.054 1.00 4.35 H new ATOM 709 N TYR A 47 -0.469 8.360 -4.450 1.00 0.68 N ATOM 710 CA TYR A 47 0.629 8.036 -5.347 1.00 0.80 C ATOM 711 C TYR A 47 0.722 8.977 -6.550 1.00 0.62 C ATOM 712 O TYR A 47 -0.206 9.725 -6.873 1.00 0.56 O ATOM 713 CB TYR A 47 0.602 6.549 -5.749 1.00 0.93 C ATOM 714 CG TYR A 47 -0.680 5.931 -6.291 1.00 0.93 C ATOM 715 CD1 TYR A 47 -1.616 6.667 -7.041 1.00 1.88 C ATOM 716 CD2 TYR A 47 -0.859 4.542 -6.152 1.00 2.12 C ATOM 717 CE1 TYR A 47 -2.722 6.028 -7.623 1.00 1.91 C ATOM 718 CE2 TYR A 47 -2.013 3.917 -6.657 1.00 2.32 C ATOM 719 CZ TYR A 47 -2.934 4.658 -7.414 1.00 1.34 C ATOM 720 OH TYR A 47 -3.939 4.032 -8.088 1.00 1.61 O ATOM 0 H TYR A 47 -1.377 8.366 -4.914 1.00 0.68 H new ATOM 0 HA TYR A 47 1.551 8.201 -4.789 1.00 0.80 H new ATOM 0 HB2 TYR A 47 1.376 6.402 -6.502 1.00 0.93 H new ATOM 0 HB3 TYR A 47 0.896 5.971 -4.873 1.00 0.93 H new ATOM 0 HD1 TYR A 47 -1.482 7.731 -7.170 1.00 1.88 H new ATOM 0 HD2 TYR A 47 -0.104 3.952 -5.654 1.00 2.12 H new ATOM 0 HE1 TYR A 47 -3.411 6.593 -8.233 1.00 1.91 H new ATOM 0 HE2 TYR A 47 -2.190 2.869 -6.463 1.00 2.32 H new ATOM 0 HH TYR A 47 -4.376 3.385 -7.496 1.00 1.61 H new ATOM 730 N ASN A 48 1.875 8.906 -7.217 1.00 0.63 N ATOM 731 CA ASN A 48 2.242 9.703 -8.373 1.00 0.57 C ATOM 732 C ASN A 48 2.685 8.768 -9.504 1.00 0.73 C ATOM 733 O ASN A 48 3.868 8.424 -9.556 1.00 0.91 O ATOM 734 CB ASN A 48 3.392 10.635 -7.972 1.00 0.87 C ATOM 735 CG ASN A 48 3.889 11.449 -9.162 1.00 1.21 C ATOM 736 OD1 ASN A 48 3.090 12.031 -9.896 1.00 2.38 O ATOM 737 ND2 ASN A 48 5.200 11.510 -9.372 1.00 1.70 N ATOM 0 H ASN A 48 2.612 8.255 -6.946 1.00 0.63 H new ATOM 0 HA ASN A 48 1.396 10.297 -8.718 1.00 0.57 H new ATOM 0 HB2 ASN A 48 3.058 11.308 -7.183 1.00 0.87 H new ATOM 0 HB3 ASN A 48 4.213 10.047 -7.563 1.00 0.87 H new ATOM 0 HD21 ASN A 48 5.566 12.049 -10.157 1.00 1.70 H new ATOM 0 HD22 ASN A 48 5.840 11.018 -8.748 1.00 1.70 H new ATOM 744 N PRO A 49 1.778 8.325 -10.393 1.00 0.90 N ATOM 745 CA PRO A 49 2.123 7.449 -11.507 1.00 1.23 C ATOM 746 C PRO A 49 2.921 8.183 -12.592 1.00 1.40 C ATOM 747 O PRO A 49 2.441 8.427 -13.695 1.00 1.85 O ATOM 748 CB PRO A 49 0.804 6.872 -12.016 1.00 1.43 C ATOM 749 CG PRO A 49 -0.224 7.930 -11.617 1.00 1.27 C ATOM 750 CD PRO A 49 0.334 8.491 -10.309 1.00 1.04 C ATOM 0 HA PRO A 49 2.788 6.645 -11.190 1.00 1.23 H new ATOM 0 HB2 PRO A 49 0.823 6.717 -13.095 1.00 1.43 H new ATOM 0 HB3 PRO A 49 0.585 5.907 -11.559 1.00 1.43 H new ATOM 0 HG2 PRO A 49 -0.319 8.705 -12.378 1.00 1.27 H new ATOM 0 HG3 PRO A 49 -1.214 7.496 -11.478 1.00 1.27 H new ATOM 0 HD2 PRO A 49 0.067 9.541 -10.188 1.00 1.04 H new ATOM 0 HD3 PRO A 49 -0.072 7.958 -9.449 1.00 1.04 H new ATOM 758 N ALA A 50 4.167 8.490 -12.248 1.00 1.33 N ATOM 759 CA ALA A 50 5.270 8.741 -13.157 1.00 1.57 C ATOM 760 C ALA A 50 6.387 7.768 -12.778 1.00 1.38 C ATOM 761 O ALA A 50 6.934 7.074 -13.630 1.00 1.46 O ATOM 762 CB ALA A 50 5.720 10.200 -13.037 1.00 1.96 C ATOM 0 H ALA A 50 4.446 8.574 -11.270 1.00 1.33 H new ATOM 0 HA ALA A 50 4.982 8.585 -14.196 1.00 1.57 H new ATOM 0 HB1 ALA A 50 6.548 10.383 -13.722 1.00 1.96 H new ATOM 0 HB2 ALA A 50 4.889 10.859 -13.289 1.00 1.96 H new ATOM 0 HB3 ALA A 50 6.043 10.398 -12.015 1.00 1.96 H new ATOM 768 N VAL A 51 6.708 7.709 -11.480 1.00 1.31 N ATOM 769 CA VAL A 51 7.671 6.800 -10.913 1.00 1.34 C ATOM 770 C VAL A 51 7.028 5.439 -10.637 1.00 1.16 C ATOM 771 O VAL A 51 7.485 4.426 -11.158 1.00 1.39 O ATOM 772 CB VAL A 51 8.195 7.437 -9.620 1.00 1.48 C ATOM 773 CG1 VAL A 51 9.303 6.566 -9.040 1.00 1.62 C ATOM 774 CG2 VAL A 51 8.746 8.847 -9.885 1.00 1.75 C ATOM 0 H VAL A 51 6.281 8.320 -10.784 1.00 1.31 H new ATOM 0 HA VAL A 51 8.494 6.627 -11.607 1.00 1.34 H new ATOM 0 HB VAL A 51 7.368 7.514 -8.914 1.00 1.48 H new ATOM 0 HG11 VAL A 51 9.677 7.017 -8.121 1.00 1.62 H new ATOM 0 HG12 VAL A 51 8.909 5.573 -8.823 1.00 1.62 H new ATOM 0 HG13 VAL A 51 10.116 6.484 -9.761 1.00 1.62 H new ATOM 0 HG21 VAL A 51 9.111 9.276 -8.952 1.00 1.75 H new ATOM 0 HG22 VAL A 51 9.565 8.789 -10.602 1.00 1.75 H new ATOM 0 HG23 VAL A 51 7.954 9.477 -10.289 1.00 1.75 H new ATOM 784 N ILE A 52 6.010 5.406 -9.767 1.00 1.04 N ATOM 785 CA ILE A 52 5.578 4.172 -9.118 1.00 1.13 C ATOM 786 C ILE A 52 4.720 3.287 -10.026 1.00 1.09 C ATOM 787 O ILE A 52 5.181 2.242 -10.458 1.00 1.48 O ATOM 788 CB ILE A 52 4.992 4.456 -7.731 1.00 1.17 C ATOM 789 CG1 ILE A 52 4.713 3.130 -7.017 1.00 1.48 C ATOM 790 CG2 ILE A 52 3.731 5.330 -7.705 1.00 1.08 C ATOM 791 CD1 ILE A 52 5.965 2.460 -6.443 1.00 1.65 C ATOM 0 H ILE A 52 5.470 6.229 -9.498 1.00 1.04 H new ATOM 0 HA ILE A 52 6.459 3.556 -8.938 1.00 1.13 H new ATOM 0 HB ILE A 52 5.751 5.044 -7.215 1.00 1.17 H new ATOM 0 HG12 ILE A 52 4.004 3.306 -6.208 1.00 1.48 H new ATOM 0 HG13 ILE A 52 4.235 2.445 -7.717 1.00 1.48 H new ATOM 0 HG21 ILE A 52 3.404 5.466 -6.674 1.00 1.08 H new ATOM 0 HG22 ILE A 52 3.953 6.302 -8.146 1.00 1.08 H new ATOM 0 HG23 ILE A 52 2.940 4.844 -8.276 1.00 1.08 H new ATOM 0 HD11 ILE A 52 5.686 1.527 -5.953 1.00 1.65 H new ATOM 0 HD12 ILE A 52 6.668 2.251 -7.249 1.00 1.65 H new ATOM 0 HD13 ILE A 52 6.433 3.125 -5.717 1.00 1.65 H new ATOM 803 N GLN A 53 3.480 3.707 -10.291 1.00 0.95 N ATOM 804 CA GLN A 53 2.434 3.025 -11.063 1.00 0.96 C ATOM 805 C GLN A 53 1.646 1.981 -10.235 1.00 0.85 C ATOM 806 O GLN A 53 2.239 1.094 -9.622 1.00 0.74 O ATOM 807 CB GLN A 53 2.890 2.435 -12.414 1.00 1.04 C ATOM 808 CG GLN A 53 3.259 3.502 -13.454 1.00 1.52 C ATOM 809 CD GLN A 53 4.510 4.260 -13.056 1.00 2.50 C ATOM 810 OE1 GLN A 53 4.452 5.441 -12.729 1.00 3.87 O ATOM 811 NE2 GLN A 53 5.632 3.559 -13.017 1.00 3.60 N ATOM 0 H GLN A 53 3.153 4.608 -9.942 1.00 0.95 H new ATOM 0 HA GLN A 53 1.751 3.836 -11.317 1.00 0.96 H new ATOM 0 HB2 GLN A 53 3.751 1.788 -12.247 1.00 1.04 H new ATOM 0 HB3 GLN A 53 2.094 1.808 -12.815 1.00 1.04 H new ATOM 0 HG2 GLN A 53 3.413 3.028 -14.423 1.00 1.52 H new ATOM 0 HG3 GLN A 53 2.430 4.201 -13.569 1.00 1.52 H new ATOM 0 HE21 GLN A 53 5.631 2.579 -13.299 1.00 3.60 H new ATOM 0 HE22 GLN A 53 6.498 3.999 -12.705 1.00 3.60 H new ATOM 820 N PRO A 54 0.299 2.047 -10.247 1.00 0.97 N ATOM 821 CA PRO A 54 -0.631 1.131 -9.576 1.00 0.97 C ATOM 822 C PRO A 54 -0.333 -0.368 -9.654 1.00 0.85 C ATOM 823 O PRO A 54 -0.300 -1.015 -8.604 1.00 0.90 O ATOM 824 CB PRO A 54 -2.030 1.487 -10.075 1.00 1.10 C ATOM 825 CG PRO A 54 -1.833 2.988 -10.185 1.00 1.29 C ATOM 826 CD PRO A 54 -0.477 3.120 -10.839 1.00 1.17 C ATOM 0 HA PRO A 54 -0.518 1.288 -8.503 1.00 0.97 H new ATOM 0 HB2 PRO A 54 -2.275 1.018 -11.028 1.00 1.10 H new ATOM 0 HB3 PRO A 54 -2.816 1.211 -9.373 1.00 1.10 H new ATOM 0 HG2 PRO A 54 -2.615 3.452 -10.786 1.00 1.29 H new ATOM 0 HG3 PRO A 54 -1.855 3.468 -9.207 1.00 1.29 H new ATOM 0 HD2 PRO A 54 -0.543 3.015 -11.922 1.00 1.17 H new ATOM 0 HD3 PRO A 54 -0.030 4.094 -10.640 1.00 1.17 H new ATOM 834 N PRO A 55 -0.122 -0.953 -10.847 1.00 0.78 N ATOM 835 CA PRO A 55 0.300 -2.329 -10.929 1.00 0.74 C ATOM 836 C PRO A 55 1.553 -2.532 -10.088 1.00 0.74 C ATOM 837 O PRO A 55 1.605 -3.450 -9.281 1.00 0.85 O ATOM 838 CB PRO A 55 0.575 -2.611 -12.407 1.00 0.77 C ATOM 839 CG PRO A 55 0.597 -1.270 -13.110 1.00 0.78 C ATOM 840 CD PRO A 55 -0.154 -0.353 -12.168 1.00 0.82 C ATOM 0 HA PRO A 55 -0.460 -3.011 -10.547 1.00 0.74 H new ATOM 0 HB2 PRO A 55 1.526 -3.129 -12.532 1.00 0.77 H new ATOM 0 HB3 PRO A 55 -0.196 -3.256 -12.828 1.00 0.77 H new ATOM 0 HG2 PRO A 55 1.617 -0.923 -13.277 1.00 0.78 H new ATOM 0 HG3 PRO A 55 0.114 -1.322 -14.086 1.00 0.78 H new ATOM 0 HD2 PRO A 55 0.305 0.635 -12.150 1.00 0.82 H new ATOM 0 HD3 PRO A 55 -1.183 -0.221 -12.503 1.00 0.82 H new ATOM 848 N MET A 56 2.560 -1.672 -10.255 1.00 0.71 N ATOM 849 CA MET A 56 3.852 -1.929 -9.651 1.00 0.77 C ATOM 850 C MET A 56 3.712 -1.893 -8.135 1.00 0.87 C ATOM 851 O MET A 56 4.191 -2.799 -7.463 1.00 1.01 O ATOM 852 CB MET A 56 4.896 -0.942 -10.169 1.00 0.78 C ATOM 853 CG MET A 56 5.129 -1.100 -11.678 1.00 0.99 C ATOM 854 SD MET A 56 6.381 0.003 -12.390 1.00 1.23 S ATOM 855 CE MET A 56 6.440 -0.644 -14.075 1.00 2.18 C ATOM 0 H MET A 56 2.501 -0.809 -10.795 1.00 0.71 H new ATOM 0 HA MET A 56 4.203 -2.922 -9.932 1.00 0.77 H new ATOM 0 HB2 MET A 56 4.571 0.076 -9.956 1.00 0.78 H new ATOM 0 HB3 MET A 56 5.836 -1.094 -9.638 1.00 0.78 H new ATOM 0 HG2 MET A 56 5.421 -2.131 -11.878 1.00 0.99 H new ATOM 0 HG3 MET A 56 4.184 -0.931 -12.194 1.00 0.99 H new ATOM 0 HE1 MET A 56 7.166 -0.076 -14.657 1.00 2.18 H new ATOM 0 HE2 MET A 56 6.734 -1.693 -14.052 1.00 2.18 H new ATOM 0 HE3 MET A 56 5.456 -0.553 -14.534 1.00 2.18 H new ATOM 865 N ILE A 57 3.009 -0.895 -7.582 1.00 0.88 N ATOM 866 CA ILE A 57 2.816 -0.880 -6.138 1.00 1.06 C ATOM 867 C ILE A 57 2.085 -2.141 -5.654 1.00 1.07 C ATOM 868 O ILE A 57 2.558 -2.803 -4.728 1.00 1.30 O ATOM 869 CB ILE A 57 2.187 0.446 -5.697 1.00 1.19 C ATOM 870 CG1 ILE A 57 2.072 0.537 -4.173 1.00 2.51 C ATOM 871 CG2 ILE A 57 0.853 0.756 -6.372 1.00 1.71 C ATOM 872 CD1 ILE A 57 1.558 1.923 -3.796 1.00 2.63 C ATOM 0 H ILE A 57 2.583 -0.121 -8.092 1.00 0.88 H new ATOM 0 HA ILE A 57 3.784 -0.924 -5.639 1.00 1.06 H new ATOM 0 HB ILE A 57 2.877 1.218 -6.037 1.00 1.19 H new ATOM 0 HG12 ILE A 57 1.394 -0.230 -3.800 1.00 2.51 H new ATOM 0 HG13 ILE A 57 3.042 0.357 -3.711 1.00 2.51 H new ATOM 0 HG21 ILE A 57 0.473 1.710 -6.007 1.00 1.71 H new ATOM 0 HG22 ILE A 57 0.996 0.811 -7.451 1.00 1.71 H new ATOM 0 HG23 ILE A 57 0.136 -0.032 -6.141 1.00 1.71 H new ATOM 0 HD11 ILE A 57 1.473 1.997 -2.712 1.00 2.63 H new ATOM 0 HD12 ILE A 57 2.254 2.680 -4.158 1.00 2.63 H new ATOM 0 HD13 ILE A 57 0.580 2.084 -4.249 1.00 2.63 H new ATOM 884 N ALA A 58 0.957 -2.502 -6.281 1.00 0.89 N ATOM 885 CA ALA A 58 0.237 -3.723 -5.935 1.00 0.93 C ATOM 886 C ALA A 58 1.159 -4.946 -5.938 1.00 0.97 C ATOM 887 O ALA A 58 1.248 -5.678 -4.950 1.00 1.09 O ATOM 888 CB ALA A 58 -0.931 -3.916 -6.903 1.00 0.94 C ATOM 0 H ALA A 58 0.527 -1.961 -7.031 1.00 0.89 H new ATOM 0 HA ALA A 58 -0.149 -3.621 -4.921 1.00 0.93 H new ATOM 0 HB1 ALA A 58 -1.470 -4.828 -6.646 1.00 0.94 H new ATOM 0 HB2 ALA A 58 -1.606 -3.063 -6.833 1.00 0.94 H new ATOM 0 HB3 ALA A 58 -0.550 -3.995 -7.921 1.00 0.94 H new ATOM 894 N GLU A 59 1.858 -5.150 -7.051 1.00 0.96 N ATOM 895 CA GLU A 59 2.767 -6.238 -7.250 1.00 1.06 C ATOM 896 C GLU A 59 3.839 -6.250 -6.164 1.00 1.13 C ATOM 897 O GLU A 59 3.959 -7.249 -5.464 1.00 1.21 O ATOM 898 CB GLU A 59 3.358 -6.082 -8.647 1.00 1.06 C ATOM 899 CG GLU A 59 2.438 -6.474 -9.824 1.00 1.18 C ATOM 900 CD GLU A 59 1.608 -7.725 -9.595 1.00 1.88 C ATOM 901 OE1 GLU A 59 0.521 -7.598 -8.983 1.00 3.12 O ATOM 902 OE2 GLU A 59 2.038 -8.826 -10.014 1.00 2.72 O ATOM 0 H GLU A 59 1.794 -4.531 -7.859 1.00 0.96 H new ATOM 0 HA GLU A 59 2.256 -7.198 -7.176 1.00 1.06 H new ATOM 0 HB2 GLU A 59 3.658 -5.042 -8.778 1.00 1.06 H new ATOM 0 HB3 GLU A 59 4.264 -6.685 -8.705 1.00 1.06 H new ATOM 0 HG2 GLU A 59 1.765 -5.642 -10.034 1.00 1.18 H new ATOM 0 HG3 GLU A 59 3.051 -6.620 -10.713 1.00 1.18 H new ATOM 909 N PHE A 60 4.565 -5.149 -5.956 1.00 1.16 N ATOM 910 CA PHE A 60 5.578 -5.063 -4.917 1.00 1.30 C ATOM 911 C PHE A 60 5.017 -5.526 -3.570 1.00 1.28 C ATOM 912 O PHE A 60 5.669 -6.263 -2.832 1.00 1.47 O ATOM 913 CB PHE A 60 6.088 -3.620 -4.821 1.00 1.39 C ATOM 914 CG PHE A 60 6.801 -3.029 -6.029 1.00 1.82 C ATOM 915 CD1 PHE A 60 7.236 -3.829 -7.106 1.00 3.43 C ATOM 916 CD2 PHE A 60 7.039 -1.640 -6.061 1.00 2.05 C ATOM 917 CE1 PHE A 60 7.887 -3.244 -8.205 1.00 4.12 C ATOM 918 CE2 PHE A 60 7.701 -1.058 -7.156 1.00 2.88 C ATOM 919 CZ PHE A 60 8.127 -1.860 -8.228 1.00 3.54 C ATOM 0 H PHE A 60 4.463 -4.296 -6.506 1.00 1.16 H new ATOM 0 HA PHE A 60 6.408 -5.721 -5.176 1.00 1.30 H new ATOM 0 HB2 PHE A 60 5.236 -2.980 -4.591 1.00 1.39 H new ATOM 0 HB3 PHE A 60 6.768 -3.563 -3.971 1.00 1.39 H new ATOM 0 HD1 PHE A 60 7.068 -4.896 -7.086 1.00 3.43 H new ATOM 0 HD2 PHE A 60 6.711 -1.020 -5.240 1.00 2.05 H new ATOM 0 HE1 PHE A 60 8.204 -3.860 -9.034 1.00 4.12 H new ATOM 0 HE2 PHE A 60 7.882 0.007 -7.173 1.00 2.88 H new ATOM 0 HZ PHE A 60 8.638 -1.413 -9.068 1.00 3.54 H new ATOM 929 N ILE A 61 3.794 -5.107 -3.240 1.00 1.09 N ATOM 930 CA ILE A 61 3.179 -5.481 -1.973 1.00 1.02 C ATOM 931 C ILE A 61 2.928 -7.000 -1.935 1.00 1.06 C ATOM 932 O ILE A 61 3.200 -7.650 -0.919 1.00 1.21 O ATOM 933 CB ILE A 61 1.941 -4.602 -1.711 1.00 0.80 C ATOM 934 CG1 ILE A 61 2.370 -3.135 -1.508 1.00 1.00 C ATOM 935 CG2 ILE A 61 1.210 -5.076 -0.454 1.00 0.84 C ATOM 936 CD1 ILE A 61 1.192 -2.161 -1.606 1.00 1.11 C ATOM 0 H ILE A 61 3.215 -4.511 -3.832 1.00 1.09 H new ATOM 0 HA ILE A 61 3.852 -5.284 -1.139 1.00 1.02 H new ATOM 0 HB ILE A 61 1.277 -4.680 -2.572 1.00 0.80 H new ATOM 0 HG12 ILE A 61 2.844 -3.030 -0.532 1.00 1.00 H new ATOM 0 HG13 ILE A 61 3.118 -2.872 -2.256 1.00 1.00 H new ATOM 0 HG21 ILE A 61 0.338 -4.446 -0.281 1.00 0.84 H new ATOM 0 HG22 ILE A 61 0.891 -6.110 -0.587 1.00 0.84 H new ATOM 0 HG23 ILE A 61 1.880 -5.011 0.403 1.00 0.84 H new ATOM 0 HD11 ILE A 61 1.549 -1.142 -1.456 1.00 1.11 H new ATOM 0 HD12 ILE A 61 0.733 -2.243 -2.591 1.00 1.11 H new ATOM 0 HD13 ILE A 61 0.455 -2.404 -0.841 1.00 1.11 H new ATOM 948 N ARG A 62 2.474 -7.586 -3.049 1.00 1.00 N ATOM 949 CA ARG A 62 2.381 -9.037 -3.185 1.00 1.06 C ATOM 950 C ARG A 62 3.752 -9.700 -3.006 1.00 1.14 C ATOM 951 O ARG A 62 3.879 -10.614 -2.195 1.00 1.16 O ATOM 952 CB ARG A 62 1.734 -9.435 -4.517 1.00 1.06 C ATOM 953 CG ARG A 62 0.252 -9.036 -4.574 1.00 1.03 C ATOM 954 CD ARG A 62 -0.319 -9.250 -5.980 1.00 1.09 C ATOM 955 NE ARG A 62 -0.084 -10.631 -6.443 1.00 2.64 N ATOM 956 CZ ARG A 62 0.330 -10.980 -7.674 1.00 3.42 C ATOM 957 NH1 ARG A 62 0.269 -10.118 -8.681 1.00 2.67 N ATOM 958 NH2 ARG A 62 0.813 -12.207 -7.898 1.00 5.42 N ATOM 0 H ARG A 62 2.164 -7.070 -3.872 1.00 1.00 H new ATOM 0 HA ARG A 62 1.733 -9.402 -2.388 1.00 1.06 H new ATOM 0 HB2 ARG A 62 2.270 -8.959 -5.338 1.00 1.06 H new ATOM 0 HB3 ARG A 62 1.826 -10.512 -4.658 1.00 1.06 H new ATOM 0 HG2 ARG A 62 -0.315 -9.625 -3.853 1.00 1.03 H new ATOM 0 HG3 ARG A 62 0.142 -7.990 -4.288 1.00 1.03 H new ATOM 0 HD2 ARG A 62 -1.389 -9.041 -5.977 1.00 1.09 H new ATOM 0 HD3 ARG A 62 0.142 -8.547 -6.674 1.00 1.09 H new ATOM 0 HE ARG A 62 -0.249 -11.383 -5.774 1.00 2.64 H new ATOM 0 HH11 ARG A 62 -0.095 -9.178 -8.526 1.00 2.67 H new ATOM 0 HH12 ARG A 62 0.586 -10.396 -9.610 1.00 2.67 H new ATOM 0 HH21 ARG A 62 0.868 -12.881 -7.134 1.00 5.42 H new ATOM 0 HH22 ARG A 62 1.126 -12.469 -8.833 1.00 5.42 H new ATOM 972 N GLU A 63 4.775 -9.247 -3.734 1.00 1.23 N ATOM 973 CA GLU A 63 6.135 -9.752 -3.683 1.00 1.32 C ATOM 974 C GLU A 63 6.710 -9.687 -2.264 1.00 1.15 C ATOM 975 O GLU A 63 7.463 -10.571 -1.863 1.00 1.21 O ATOM 976 CB GLU A 63 6.978 -8.929 -4.658 1.00 1.54 C ATOM 977 CG GLU A 63 6.612 -9.160 -6.122 1.00 1.79 C ATOM 978 CD GLU A 63 7.295 -8.139 -7.020 1.00 2.23 C ATOM 979 OE1 GLU A 63 8.539 -8.214 -7.111 1.00 3.09 O ATOM 980 OE2 GLU A 63 6.569 -7.289 -7.576 1.00 2.61 O ATOM 0 H GLU A 63 4.666 -8.484 -4.402 1.00 1.23 H new ATOM 0 HA GLU A 63 6.147 -10.804 -3.970 1.00 1.32 H new ATOM 0 HB2 GLU A 63 6.860 -7.871 -4.425 1.00 1.54 H new ATOM 0 HB3 GLU A 63 8.030 -9.173 -4.512 1.00 1.54 H new ATOM 0 HG2 GLU A 63 6.906 -10.166 -6.420 1.00 1.79 H new ATOM 0 HG3 GLU A 63 5.531 -9.094 -6.246 1.00 1.79 H new ATOM 987 N LEU A 64 6.313 -8.680 -1.481 1.00 1.10 N ATOM 988 CA LEU A 64 6.743 -8.552 -0.093 1.00 1.13 C ATOM 989 C LEU A 64 5.970 -9.526 0.804 1.00 1.24 C ATOM 990 O LEU A 64 6.422 -9.808 1.912 1.00 1.22 O ATOM 991 CB LEU A 64 6.552 -7.106 0.390 1.00 1.51 C ATOM 992 CG LEU A 64 7.575 -6.121 -0.202 1.00 1.20 C ATOM 993 CD1 LEU A 64 7.091 -4.686 0.035 1.00 1.66 C ATOM 994 CD2 LEU A 64 8.959 -6.289 0.436 1.00 1.98 C ATOM 0 H LEU A 64 5.688 -7.936 -1.793 1.00 1.10 H new ATOM 0 HA LEU A 64 7.802 -8.802 -0.033 1.00 1.13 H new ATOM 0 HB2 LEU A 64 5.547 -6.774 0.129 1.00 1.51 H new ATOM 0 HB3 LEU A 64 6.624 -7.082 1.477 1.00 1.51 H new ATOM 0 HG LEU A 64 7.662 -6.329 -1.268 1.00 1.20 H new ATOM 0 HD11 LEU A 64 7.813 -3.985 -0.383 1.00 1.66 H new ATOM 0 HD12 LEU A 64 6.125 -4.543 -0.449 1.00 1.66 H new ATOM 0 HD13 LEU A 64 6.990 -4.508 1.106 1.00 1.66 H new ATOM 0 HD21 LEU A 64 9.653 -5.576 -0.008 1.00 1.98 H new ATOM 0 HD22 LEU A 64 8.890 -6.108 1.509 1.00 1.98 H new ATOM 0 HD23 LEU A 64 9.319 -7.303 0.262 1.00 1.98 H new ATOM 1006 N GLY A 65 4.836 -10.057 0.334 1.00 1.63 N ATOM 1007 CA GLY A 65 4.142 -11.179 0.953 1.00 2.28 C ATOM 1008 C GLY A 65 2.634 -10.968 1.046 1.00 1.47 C ATOM 1009 O GLY A 65 1.914 -11.897 1.411 1.00 1.83 O ATOM 0 H GLY A 65 4.370 -9.708 -0.504 1.00 1.63 H new ATOM 0 HA2 GLY A 65 4.342 -12.084 0.380 1.00 2.28 H new ATOM 0 HA3 GLY A 65 4.543 -11.340 1.954 1.00 2.28 H new ATOM 1013 N PHE A 66 2.141 -9.761 0.758 1.00 1.01 N ATOM 1014 CA PHE A 66 0.821 -9.335 1.198 1.00 1.18 C ATOM 1015 C PHE A 66 -0.116 -9.232 0.007 1.00 1.24 C ATOM 1016 O PHE A 66 0.080 -8.418 -0.891 1.00 2.07 O ATOM 1017 CB PHE A 66 0.958 -8.025 1.978 1.00 1.82 C ATOM 1018 CG PHE A 66 2.003 -8.118 3.073 1.00 1.75 C ATOM 1019 CD1 PHE A 66 1.725 -8.874 4.227 1.00 2.10 C ATOM 1020 CD2 PHE A 66 3.316 -7.667 2.832 1.00 2.91 C ATOM 1021 CE1 PHE A 66 2.758 -9.196 5.124 1.00 2.40 C ATOM 1022 CE2 PHE A 66 4.342 -7.965 3.746 1.00 3.25 C ATOM 1023 CZ PHE A 66 4.063 -8.733 4.890 1.00 2.56 C ATOM 0 H PHE A 66 2.646 -9.059 0.216 1.00 1.01 H new ATOM 0 HA PHE A 66 0.379 -10.070 1.870 1.00 1.18 H new ATOM 0 HB2 PHE A 66 1.224 -7.221 1.291 1.00 1.82 H new ATOM 0 HB3 PHE A 66 -0.004 -7.763 2.418 1.00 1.82 H new ATOM 0 HD1 PHE A 66 0.717 -9.207 4.424 1.00 2.10 H new ATOM 0 HD2 PHE A 66 3.534 -7.092 1.944 1.00 2.91 H new ATOM 0 HE1 PHE A 66 2.548 -9.800 5.994 1.00 2.40 H new ATOM 0 HE2 PHE A 66 5.344 -7.604 3.569 1.00 3.25 H new ATOM 0 HZ PHE A 66 4.852 -8.967 5.589 1.00 2.56 H new ATOM 1033 N GLY A 67 -1.138 -10.084 -0.003 1.00 0.98 N ATOM 1034 CA GLY A 67 -2.085 -10.184 -1.092 1.00 0.94 C ATOM 1035 C GLY A 67 -2.885 -8.903 -1.273 1.00 0.87 C ATOM 1036 O GLY A 67 -3.968 -8.742 -0.713 1.00 1.39 O ATOM 0 H GLY A 67 -1.328 -10.732 0.762 1.00 0.98 H new ATOM 0 HA2 GLY A 67 -1.552 -10.412 -2.015 1.00 0.94 H new ATOM 0 HA3 GLY A 67 -2.767 -11.013 -0.904 1.00 0.94 H new ATOM 1040 N ALA A 68 -2.313 -7.999 -2.051 1.00 0.68 N ATOM 1041 CA ALA A 68 -2.872 -6.710 -2.418 1.00 0.63 C ATOM 1042 C ALA A 68 -3.809 -6.873 -3.610 1.00 0.64 C ATOM 1043 O ALA A 68 -3.403 -7.424 -4.631 1.00 0.95 O ATOM 1044 CB ALA A 68 -1.740 -5.743 -2.769 1.00 0.87 C ATOM 0 H ALA A 68 -1.394 -8.155 -2.466 1.00 0.68 H new ATOM 0 HA ALA A 68 -3.438 -6.308 -1.577 1.00 0.63 H new ATOM 0 HB1 ALA A 68 -2.160 -4.776 -3.044 1.00 0.87 H new ATOM 0 HB2 ALA A 68 -1.085 -5.622 -1.907 1.00 0.87 H new ATOM 0 HB3 ALA A 68 -1.168 -6.142 -3.607 1.00 0.87 H new ATOM 1050 N THR A 69 -5.043 -6.373 -3.502 1.00 0.56 N ATOM 1051 CA THR A 69 -5.942 -6.183 -4.606 1.00 0.65 C ATOM 1052 C THR A 69 -6.293 -4.696 -4.605 1.00 0.56 C ATOM 1053 O THR A 69 -6.626 -4.136 -3.560 1.00 0.56 O ATOM 1054 CB THR A 69 -7.148 -7.115 -4.435 1.00 0.83 C ATOM 1055 OG1 THR A 69 -7.993 -6.909 -5.531 1.00 2.22 O ATOM 1056 CG2 THR A 69 -7.983 -6.897 -3.176 1.00 2.15 C ATOM 0 H THR A 69 -5.441 -6.085 -2.608 1.00 0.56 H new ATOM 0 HA THR A 69 -5.513 -6.440 -5.575 1.00 0.65 H new ATOM 0 HB THR A 69 -6.739 -8.122 -4.356 1.00 0.83 H new ATOM 0 HG1 THR A 69 -8.776 -7.493 -5.454 1.00 2.22 H new ATOM 0 HG21 THR A 69 -8.808 -7.610 -3.158 1.00 2.15 H new ATOM 0 HG22 THR A 69 -7.358 -7.044 -2.295 1.00 2.15 H new ATOM 0 HG23 THR A 69 -8.380 -5.882 -3.174 1.00 2.15 H new ATOM 1064 N VAL A 70 -6.180 -4.045 -5.761 1.00 0.54 N ATOM 1065 CA VAL A 70 -6.420 -2.634 -5.930 1.00 0.52 C ATOM 1066 C VAL A 70 -7.923 -2.446 -6.118 1.00 0.57 C ATOM 1067 O VAL A 70 -8.549 -3.215 -6.843 1.00 0.63 O ATOM 1068 CB VAL A 70 -5.604 -2.195 -7.151 1.00 0.57 C ATOM 1069 CG1 VAL A 70 -5.919 -0.765 -7.547 1.00 1.41 C ATOM 1070 CG2 VAL A 70 -4.112 -2.270 -6.830 1.00 1.79 C ATOM 0 H VAL A 70 -5.909 -4.510 -6.627 1.00 0.54 H new ATOM 0 HA VAL A 70 -6.116 -2.028 -5.076 1.00 0.52 H new ATOM 0 HB VAL A 70 -5.864 -2.863 -7.972 1.00 0.57 H new ATOM 0 HG11 VAL A 70 -5.322 -0.488 -8.416 1.00 1.41 H new ATOM 0 HG12 VAL A 70 -6.978 -0.680 -7.792 1.00 1.41 H new ATOM 0 HG13 VAL A 70 -5.684 -0.098 -6.718 1.00 1.41 H new ATOM 0 HG21 VAL A 70 -3.536 -1.957 -7.701 1.00 1.79 H new ATOM 0 HG22 VAL A 70 -3.887 -1.612 -5.991 1.00 1.79 H new ATOM 0 HG23 VAL A 70 -3.847 -3.295 -6.569 1.00 1.79 H new ATOM 1080 N ILE A 71 -8.493 -1.447 -5.446 1.00 0.64 N ATOM 1081 CA ILE A 71 -9.913 -1.142 -5.486 1.00 0.78 C ATOM 1082 C ILE A 71 -10.043 0.331 -5.854 1.00 0.99 C ATOM 1083 O ILE A 71 -10.352 1.189 -5.028 1.00 1.45 O ATOM 1084 CB ILE A 71 -10.574 -1.469 -4.140 1.00 0.99 C ATOM 1085 CG1 ILE A 71 -10.250 -2.915 -3.711 1.00 1.22 C ATOM 1086 CG2 ILE A 71 -12.095 -1.270 -4.231 1.00 1.66 C ATOM 1087 CD1 ILE A 71 -11.012 -3.364 -2.461 1.00 1.91 C ATOM 0 H ILE A 71 -7.963 -0.815 -4.846 1.00 0.64 H new ATOM 0 HA ILE A 71 -10.429 -1.751 -6.228 1.00 0.78 H new ATOM 0 HB ILE A 71 -10.175 -0.789 -3.387 1.00 0.99 H new ATOM 0 HG12 ILE A 71 -10.485 -3.591 -4.533 1.00 1.22 H new ATOM 0 HG13 ILE A 71 -9.179 -3.000 -3.525 1.00 1.22 H new ATOM 0 HG21 ILE A 71 -12.551 -1.505 -3.269 1.00 1.66 H new ATOM 0 HG22 ILE A 71 -12.311 -0.234 -4.491 1.00 1.66 H new ATOM 0 HG23 ILE A 71 -12.503 -1.929 -4.997 1.00 1.66 H new ATOM 0 HD11 ILE A 71 -10.737 -4.390 -2.216 1.00 1.91 H new ATOM 0 HD12 ILE A 71 -10.758 -2.711 -1.626 1.00 1.91 H new ATOM 0 HD13 ILE A 71 -12.084 -3.312 -2.650 1.00 1.91 H new ATOM 1099 N GLU A 72 -9.786 0.619 -7.125 1.00 1.34 N ATOM 1100 CA GLU A 72 -10.136 1.916 -7.684 1.00 1.68 C ATOM 1101 C GLU A 72 -11.642 2.177 -7.563 1.00 1.53 C ATOM 1102 O GLU A 72 -12.435 1.265 -7.329 1.00 2.20 O ATOM 1103 CB GLU A 72 -9.654 2.069 -9.140 1.00 2.39 C ATOM 1104 CG GLU A 72 -8.454 3.022 -9.239 1.00 2.71 C ATOM 1105 CD GLU A 72 -8.725 4.364 -8.561 1.00 2.95 C ATOM 1106 OE1 GLU A 72 -9.885 4.827 -8.643 1.00 3.64 O ATOM 1107 OE2 GLU A 72 -7.791 4.841 -7.885 1.00 3.59 O ATOM 0 H GLU A 72 -9.341 -0.023 -7.781 1.00 1.34 H new ATOM 0 HA GLU A 72 -9.614 2.673 -7.098 1.00 1.68 H new ATOM 0 HB2 GLU A 72 -9.378 1.092 -9.537 1.00 2.39 H new ATOM 0 HB3 GLU A 72 -10.470 2.445 -9.757 1.00 2.39 H new ATOM 0 HG2 GLU A 72 -7.582 2.555 -8.781 1.00 2.71 H new ATOM 0 HG3 GLU A 72 -8.211 3.190 -10.288 1.00 2.71 H new