USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 818 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 72 TYR OH : rot 180:sc= 0.72 USER MOD Set 1.2: B 1 LYS NZ :NH3+ 164:sc= 0.82 (180deg=0) USER MOD Set 2.1: A 29 CYS SG : rot -60:sc= 0.537 USER MOD Set 2.2: A 40 LYS NZ :NH3+ 153:sc= 0.604 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 116:sc= 0.309 USER MOD Single : A 8 TYR OH : rot 30:sc= -0.575 USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 0.0651 (180deg=-0.0159) USER MOD Single : A 21 SER OG : rot 25:sc= 0.351 USER MOD Single : A 25 ASN : amide:sc= -0.0671 K(o=-0.067,f=-0.82) USER MOD Single : A 27 SER OG : rot 48:sc= 1.44 USER MOD Single : A 31 HIS : no HD1:sc= -4.44! C(o=-4.4!,f=-7.2!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 147:sc= -0.464 (180deg=-2.35!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0868 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 170:sc= 0.0561 USER MOD Single : A 76 GLN : amide:sc= -2.06 K(o=-2.1,f=-1.5) USER MOD Single : A 78 MET CE :methyl -155:sc= -2.85 (180deg=-4.93!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00275 USER MOD Single : A 91 GLN : amide:sc= -0.0499 X(o=-0.05,f=-0.39) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -1.47 K(o=-1.5,f=-2!) USER MOD Single : A 96 THR OG1 : rot -73:sc= 0.834 USER MOD Single : B -4 SER OG : rot -56:sc= 0.0665 USER MOD Single : B -7 PHE N :NH3+ 155:sc= 0.231 (180deg=0.0655) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 5.670 -3.254 -6.949 1.00 23.13 N ATOM 43 CA LEU A 2 6.954 -3.235 -7.641 1.00 3.52 C ATOM 44 C LEU A 2 7.464 -4.652 -7.884 1.00 14.41 C ATOM 45 O LEU A 2 7.224 -5.555 -7.082 1.00 53.23 O ATOM 46 CB LEU A 2 7.982 -2.443 -6.829 1.00 75.41 C ATOM 47 CG LEU A 2 8.326 -3.008 -5.450 1.00 51.42 C ATOM 48 CD1 LEU A 2 9.822 -3.252 -5.332 1.00 63.42 C ATOM 49 CD2 LEU A 2 7.850 -2.065 -4.354 1.00 74.53 C ATOM 0 HA LEU A 2 6.811 -2.750 -8.607 1.00 3.52 H new ATOM 0 HB2 LEU A 2 8.901 -2.375 -7.411 1.00 75.41 H new ATOM 0 HB3 LEU A 2 7.609 -1.427 -6.701 1.00 75.41 H new ATOM 0 HG LEU A 2 7.812 -3.962 -5.330 1.00 51.42 H new ATOM 0 HD11 LEU A 2 10.048 -3.654 -4.344 1.00 63.42 H new ATOM 0 HD12 LEU A 2 10.136 -3.965 -6.095 1.00 63.42 H new ATOM 0 HD13 LEU A 2 10.356 -2.312 -5.472 1.00 63.42 H new ATOM 0 HD21 LEU A 2 8.103 -2.483 -3.379 1.00 74.53 H new ATOM 0 HD22 LEU A 2 8.336 -1.096 -4.471 1.00 74.53 H new ATOM 0 HD23 LEU A 2 6.770 -1.940 -4.426 1.00 74.53 H new ATOM 61 N PHE A 3 8.170 -4.839 -8.994 1.00 55.21 N ATOM 62 CA PHE A 3 8.714 -6.146 -9.342 1.00 43.14 C ATOM 63 C PHE A 3 10.222 -6.066 -9.560 1.00 64.12 C ATOM 64 O PHE A 3 10.732 -5.081 -10.094 1.00 71.40 O ATOM 65 CB PHE A 3 8.034 -6.687 -10.602 1.00 13.44 C ATOM 66 CG PHE A 3 6.608 -7.105 -10.380 1.00 24.31 C ATOM 67 CD1 PHE A 3 5.642 -6.170 -10.046 1.00 73.43 C ATOM 68 CD2 PHE A 3 6.235 -8.434 -10.505 1.00 4.14 C ATOM 69 CE1 PHE A 3 4.329 -6.552 -9.842 1.00 21.31 C ATOM 70 CE2 PHE A 3 4.924 -8.822 -10.302 1.00 4.51 C ATOM 71 CZ PHE A 3 3.970 -7.880 -9.969 1.00 3.10 C ATOM 0 H PHE A 3 8.379 -4.102 -9.668 1.00 55.21 H new ATOM 0 HA PHE A 3 8.519 -6.825 -8.512 1.00 43.14 H new ATOM 0 HB2 PHE A 3 8.064 -5.922 -11.378 1.00 13.44 H new ATOM 0 HB3 PHE A 3 8.601 -7.541 -10.974 1.00 13.44 H new ATOM 0 HD1 PHE A 3 5.918 -5.131 -9.944 1.00 73.43 H new ATOM 0 HD2 PHE A 3 6.977 -9.175 -10.764 1.00 4.14 H new ATOM 0 HE1 PHE A 3 3.585 -5.813 -9.584 1.00 21.31 H new ATOM 0 HE2 PHE A 3 4.646 -9.861 -10.404 1.00 4.51 H new ATOM 0 HZ PHE A 3 2.945 -8.181 -9.808 1.00 3.10 H new ATOM 81 N ALA A 4 10.931 -7.110 -9.142 1.00 73.10 N ATOM 82 CA ALA A 4 12.380 -7.160 -9.292 1.00 53.31 C ATOM 83 C ALA A 4 12.804 -8.364 -10.126 1.00 3.31 C ATOM 84 O ALA A 4 12.119 -9.386 -10.152 1.00 61.13 O ATOM 85 CB ALA A 4 13.051 -7.197 -7.927 1.00 73.41 C ATOM 0 H ALA A 4 10.525 -7.933 -8.697 1.00 73.10 H new ATOM 0 HA ALA A 4 12.698 -6.259 -9.816 1.00 53.31 H new ATOM 0 HB1 ALA A 4 14.133 -7.234 -8.054 1.00 73.41 H new ATOM 0 HB2 ALA A 4 12.782 -6.302 -7.365 1.00 73.41 H new ATOM 0 HB3 ALA A 4 12.719 -8.081 -7.382 1.00 73.41 H new ATOM 91 N VAL A 5 13.939 -8.236 -10.807 1.00 53.30 N ATOM 92 CA VAL A 5 14.455 -9.314 -11.642 1.00 10.21 C ATOM 93 C VAL A 5 15.836 -9.758 -11.174 1.00 20.24 C ATOM 94 O VAL A 5 16.770 -8.958 -11.111 1.00 24.42 O ATOM 95 CB VAL A 5 14.538 -8.888 -13.120 1.00 24.31 C ATOM 96 CG1 VAL A 5 15.365 -7.620 -13.265 1.00 1.23 C ATOM 97 CG2 VAL A 5 15.118 -10.012 -13.965 1.00 64.14 C ATOM 0 H VAL A 5 14.518 -7.396 -10.797 1.00 53.30 H new ATOM 0 HA VAL A 5 13.758 -10.147 -11.550 1.00 10.21 H new ATOM 0 HB VAL A 5 13.530 -8.678 -13.477 1.00 24.31 H new ATOM 0 HG11 VAL A 5 15.412 -7.335 -14.316 1.00 1.23 H new ATOM 0 HG12 VAL A 5 14.903 -6.817 -12.691 1.00 1.23 H new ATOM 0 HG13 VAL A 5 16.373 -7.799 -12.892 1.00 1.23 H new ATOM 0 HG21 VAL A 5 15.170 -9.695 -15.007 1.00 64.14 H new ATOM 0 HG22 VAL A 5 16.119 -10.255 -13.609 1.00 64.14 H new ATOM 0 HG23 VAL A 5 14.481 -10.893 -13.885 1.00 64.14 H new ATOM 107 N THR A 6 15.959 -11.041 -10.846 1.00 5.34 N ATOM 108 CA THR A 6 17.226 -11.593 -10.382 1.00 42.42 C ATOM 109 C THR A 6 18.314 -11.434 -11.438 1.00 3.40 C ATOM 110 O THR A 6 18.049 -11.530 -12.637 1.00 40.40 O ATOM 111 CB THR A 6 17.091 -13.084 -10.021 1.00 52.05 C ATOM 112 OG1 THR A 6 15.897 -13.622 -10.602 1.00 3.14 O ATOM 113 CG2 THR A 6 17.058 -13.275 -8.513 1.00 0.14 C ATOM 0 H THR A 6 15.197 -11.717 -10.893 1.00 5.34 H new ATOM 0 HA THR A 6 17.506 -11.035 -9.489 1.00 42.42 H new ATOM 0 HB THR A 6 17.958 -13.612 -10.419 1.00 52.05 H new ATOM 0 HG1 THR A 6 16.134 -14.305 -11.264 1.00 3.14 H new ATOM 0 HG21 THR A 6 16.962 -14.336 -8.283 1.00 0.14 H new ATOM 0 HG22 THR A 6 17.980 -12.891 -8.077 1.00 0.14 H new ATOM 0 HG23 THR A 6 16.208 -12.735 -8.096 1.00 0.14 H new ATOM 121 N LEU A 7 19.540 -11.191 -10.986 1.00 15.31 N ATOM 122 CA LEU A 7 20.669 -11.019 -11.893 1.00 25.14 C ATOM 123 C LEU A 7 21.717 -12.104 -11.668 1.00 64.42 C ATOM 124 O LEU A 7 22.634 -12.273 -12.473 1.00 53.12 O ATOM 125 CB LEU A 7 21.299 -9.638 -11.699 1.00 20.51 C ATOM 126 CG LEU A 7 20.326 -8.461 -11.632 1.00 2.45 C ATOM 127 CD1 LEU A 7 21.083 -7.153 -11.456 1.00 54.04 C ATOM 128 CD2 LEU A 7 19.458 -8.414 -12.881 1.00 2.24 C ATOM 0 H LEU A 7 19.777 -11.109 -9.997 1.00 15.31 H new ATOM 0 HA LEU A 7 20.299 -11.102 -12.915 1.00 25.14 H new ATOM 0 HB2 LEU A 7 21.884 -9.653 -10.779 1.00 20.51 H new ATOM 0 HB3 LEU A 7 21.997 -9.461 -12.517 1.00 20.51 H new ATOM 0 HG LEU A 7 19.676 -8.600 -10.768 1.00 2.45 H new ATOM 0 HD11 LEU A 7 20.375 -6.326 -11.410 1.00 54.04 H new ATOM 0 HD12 LEU A 7 21.660 -7.188 -10.532 1.00 54.04 H new ATOM 0 HD13 LEU A 7 21.758 -7.007 -12.300 1.00 54.04 H new ATOM 0 HD21 LEU A 7 18.772 -7.570 -12.816 1.00 2.24 H new ATOM 0 HD22 LEU A 7 20.092 -8.299 -13.760 1.00 2.24 H new ATOM 0 HD23 LEU A 7 18.888 -9.339 -12.963 1.00 2.24 H new ATOM 140 N TYR A 8 21.575 -12.839 -10.571 1.00 32.22 N ATOM 141 CA TYR A 8 22.509 -13.909 -10.240 1.00 41.42 C ATOM 142 C TYR A 8 21.765 -15.165 -9.800 1.00 31.42 C ATOM 143 O TYR A 8 20.575 -15.118 -9.488 1.00 45.13 O ATOM 144 CB TYR A 8 23.466 -13.455 -9.136 1.00 34.41 C ATOM 145 CG TYR A 8 24.357 -12.304 -9.542 1.00 65.02 C ATOM 146 CD1 TYR A 8 23.875 -11.001 -9.566 1.00 60.12 C ATOM 147 CD2 TYR A 8 25.682 -12.519 -9.903 1.00 12.21 C ATOM 148 CE1 TYR A 8 24.686 -9.946 -9.937 1.00 51.13 C ATOM 149 CE2 TYR A 8 26.500 -11.470 -10.274 1.00 3.42 C ATOM 150 CZ TYR A 8 25.998 -10.185 -10.290 1.00 33.23 C ATOM 151 OH TYR A 8 26.809 -9.138 -10.660 1.00 44.41 O ATOM 0 H TYR A 8 20.821 -12.713 -9.895 1.00 32.22 H new ATOM 0 HA TYR A 8 23.084 -14.145 -11.135 1.00 41.42 H new ATOM 0 HB2 TYR A 8 22.885 -13.163 -8.261 1.00 34.41 H new ATOM 0 HB3 TYR A 8 24.089 -14.298 -8.838 1.00 34.41 H new ATOM 0 HD1 TYR A 8 22.849 -10.810 -9.290 1.00 60.12 H new ATOM 0 HD2 TYR A 8 26.079 -13.524 -9.893 1.00 12.21 H new ATOM 0 HE1 TYR A 8 24.295 -8.939 -9.951 1.00 51.13 H new ATOM 0 HE2 TYR A 8 27.528 -11.655 -10.550 1.00 3.42 H new ATOM 0 HH TYR A 8 26.523 -8.323 -10.196 1.00 44.41 H new ATOM 161 N GLU A 9 22.476 -16.289 -9.776 1.00 53.43 N ATOM 162 CA GLU A 9 21.883 -17.559 -9.374 1.00 51.33 C ATOM 163 C GLU A 9 22.025 -17.773 -7.870 1.00 75.31 C ATOM 164 O GLU A 9 23.109 -18.083 -7.375 1.00 54.12 O ATOM 165 CB GLU A 9 22.540 -18.716 -10.130 1.00 4.44 C ATOM 166 CG GLU A 9 21.962 -20.077 -9.781 1.00 3.11 C ATOM 167 CD GLU A 9 21.023 -20.603 -10.849 1.00 10.23 C ATOM 168 OE1 GLU A 9 21.334 -20.438 -12.047 1.00 13.53 O ATOM 169 OE2 GLU A 9 19.977 -21.180 -10.486 1.00 33.15 O ATOM 0 H GLU A 9 23.462 -16.345 -10.030 1.00 53.43 H new ATOM 0 HA GLU A 9 20.822 -17.530 -9.621 1.00 51.33 H new ATOM 0 HB2 GLU A 9 22.430 -18.548 -11.201 1.00 4.44 H new ATOM 0 HB3 GLU A 9 23.609 -18.719 -9.916 1.00 4.44 H new ATOM 0 HG2 GLU A 9 22.776 -20.787 -9.637 1.00 3.11 H new ATOM 0 HG3 GLU A 9 21.427 -20.008 -8.834 1.00 3.11 H new ATOM 176 N PHE A 10 20.922 -17.606 -7.148 1.00 55.11 N ATOM 177 CA PHE A 10 20.922 -17.779 -5.700 1.00 71.32 C ATOM 178 C PHE A 10 20.671 -19.237 -5.327 1.00 71.40 C ATOM 179 O PHE A 10 19.663 -19.826 -5.719 1.00 64.53 O ATOM 180 CB PHE A 10 19.858 -16.886 -5.058 1.00 61.40 C ATOM 181 CG PHE A 10 20.133 -16.569 -3.616 1.00 41.30 C ATOM 182 CD1 PHE A 10 21.349 -16.027 -3.232 1.00 41.41 C ATOM 183 CD2 PHE A 10 19.176 -16.812 -2.645 1.00 15.55 C ATOM 184 CE1 PHE A 10 21.605 -15.734 -1.906 1.00 32.13 C ATOM 185 CE2 PHE A 10 19.425 -16.521 -1.317 1.00 4.44 C ATOM 186 CZ PHE A 10 20.641 -15.980 -0.947 1.00 64.20 C ATOM 0 H PHE A 10 20.016 -17.351 -7.542 1.00 55.11 H new ATOM 0 HA PHE A 10 21.904 -17.490 -5.325 1.00 71.32 H new ATOM 0 HB2 PHE A 10 19.789 -15.955 -5.620 1.00 61.40 H new ATOM 0 HB3 PHE A 10 18.888 -17.377 -5.135 1.00 61.40 H new ATOM 0 HD1 PHE A 10 22.105 -15.831 -3.978 1.00 41.41 H new ATOM 0 HD2 PHE A 10 18.223 -17.234 -2.929 1.00 15.55 H new ATOM 0 HE1 PHE A 10 22.557 -15.313 -1.620 1.00 32.13 H new ATOM 0 HE2 PHE A 10 18.670 -16.716 -0.570 1.00 4.44 H new ATOM 0 HZ PHE A 10 20.838 -15.750 0.090 1.00 64.20 H new ATOM 196 N LYS A 11 21.595 -19.815 -4.567 1.00 0.33 N ATOM 197 CA LYS A 11 21.476 -21.203 -4.139 1.00 21.44 C ATOM 198 C LYS A 11 20.978 -21.288 -2.699 1.00 65.42 C ATOM 199 O LYS A 11 21.760 -21.177 -1.755 1.00 32.40 O ATOM 200 CB LYS A 11 22.825 -21.915 -4.266 1.00 32.20 C ATOM 201 CG LYS A 11 23.538 -21.637 -5.578 1.00 74.41 C ATOM 202 CD LYS A 11 24.479 -20.450 -5.461 1.00 21.52 C ATOM 203 CE LYS A 11 25.602 -20.526 -6.484 1.00 72.32 C ATOM 204 NZ LYS A 11 25.079 -20.596 -7.877 1.00 0.11 N ATOM 0 H LYS A 11 22.436 -19.342 -4.235 1.00 0.33 H new ATOM 0 HA LYS A 11 20.750 -21.695 -4.786 1.00 21.44 H new ATOM 0 HB2 LYS A 11 23.468 -21.608 -3.441 1.00 32.20 H new ATOM 0 HB3 LYS A 11 22.670 -22.989 -4.167 1.00 32.20 H new ATOM 0 HG2 LYS A 11 24.101 -22.520 -5.881 1.00 74.41 H new ATOM 0 HG3 LYS A 11 22.803 -21.444 -6.359 1.00 74.41 H new ATOM 0 HD2 LYS A 11 23.919 -19.525 -5.602 1.00 21.52 H new ATOM 0 HD3 LYS A 11 24.902 -20.417 -4.457 1.00 21.52 H new ATOM 0 HE2 LYS A 11 26.247 -19.653 -6.381 1.00 72.32 H new ATOM 0 HE3 LYS A 11 26.218 -21.402 -6.283 1.00 72.32 H new ATOM 0 HZ1 LYS A 11 25.861 -20.459 -8.549 1.00 0.11 H new ATOM 0 HZ2 LYS A 11 24.643 -21.526 -8.038 1.00 0.11 H new ATOM 0 HZ3 LYS A 11 24.367 -19.851 -8.018 1.00 0.11 H new ATOM 218 N ALA A 12 19.674 -21.487 -2.539 1.00 62.25 N ATOM 219 CA ALA A 12 19.074 -21.591 -1.215 1.00 53.44 C ATOM 220 C ALA A 12 19.785 -22.642 -0.371 1.00 21.05 C ATOM 221 O ALA A 12 20.435 -23.542 -0.902 1.00 14.02 O ATOM 222 CB ALA A 12 17.592 -21.918 -1.332 1.00 24.13 C ATOM 0 H ALA A 12 19.013 -21.579 -3.310 1.00 62.25 H new ATOM 0 HA ALA A 12 19.184 -20.628 -0.716 1.00 53.44 H new ATOM 0 HB1 ALA A 12 17.156 -21.993 -0.336 1.00 24.13 H new ATOM 0 HB2 ALA A 12 17.088 -21.129 -1.890 1.00 24.13 H new ATOM 0 HB3 ALA A 12 17.469 -22.867 -1.854 1.00 24.13 H new ATOM 228 N GLU A 13 19.658 -22.521 0.947 1.00 2.22 N ATOM 229 CA GLU A 13 20.291 -23.461 1.865 1.00 62.04 C ATOM 230 C GLU A 13 19.243 -24.230 2.664 1.00 24.12 C ATOM 231 O GLU A 13 19.460 -25.380 3.046 1.00 31.23 O ATOM 232 CB GLU A 13 21.234 -22.722 2.817 1.00 63.44 C ATOM 233 CG GLU A 13 20.516 -21.821 3.807 1.00 43.45 C ATOM 234 CD GLU A 13 21.469 -21.126 4.760 1.00 31.12 C ATOM 235 OE1 GLU A 13 22.048 -21.815 5.626 1.00 63.43 O ATOM 236 OE2 GLU A 13 21.635 -19.894 4.642 1.00 72.24 O ATOM 0 H GLU A 13 19.123 -21.782 1.403 1.00 2.22 H new ATOM 0 HA GLU A 13 20.868 -24.173 1.275 1.00 62.04 H new ATOM 0 HB2 GLU A 13 21.827 -23.453 3.367 1.00 63.44 H new ATOM 0 HB3 GLU A 13 21.931 -22.122 2.232 1.00 63.44 H new ATOM 0 HG2 GLU A 13 19.943 -21.071 3.261 1.00 43.45 H new ATOM 0 HG3 GLU A 13 19.802 -22.413 4.380 1.00 43.45 H new ATOM 243 N ARG A 14 18.108 -23.586 2.914 1.00 60.13 N ATOM 244 CA ARG A 14 17.027 -24.208 3.669 1.00 1.11 C ATOM 245 C ARG A 14 15.677 -23.935 3.011 1.00 25.44 C ATOM 246 O ARG A 14 15.607 -23.314 1.951 1.00 14.42 O ATOM 247 CB ARG A 14 17.019 -23.690 5.109 1.00 72.14 C ATOM 248 CG ARG A 14 18.180 -24.201 5.946 1.00 12.22 C ATOM 249 CD ARG A 14 17.861 -25.546 6.579 1.00 33.13 C ATOM 250 NE ARG A 14 17.112 -25.401 7.825 1.00 63.10 N ATOM 251 CZ ARG A 14 16.517 -26.413 8.447 1.00 41.22 C ATOM 252 NH1 ARG A 14 16.583 -27.637 7.941 1.00 1.15 N ATOM 253 NH2 ARG A 14 15.855 -26.201 9.577 1.00 74.32 N ATOM 0 H ARG A 14 17.913 -22.634 2.605 1.00 60.13 H new ATOM 0 HA ARG A 14 17.196 -25.285 3.678 1.00 1.11 H new ATOM 0 HB2 ARG A 14 17.044 -22.600 5.094 1.00 72.14 H new ATOM 0 HB3 ARG A 14 16.083 -23.981 5.586 1.00 72.14 H new ATOM 0 HG2 ARG A 14 19.068 -24.294 5.320 1.00 12.22 H new ATOM 0 HG3 ARG A 14 18.414 -23.477 6.726 1.00 12.22 H new ATOM 0 HD2 ARG A 14 17.284 -26.149 5.878 1.00 33.13 H new ATOM 0 HD3 ARG A 14 18.789 -26.084 6.774 1.00 33.13 H new ATOM 0 HE ARG A 14 17.042 -24.472 8.240 1.00 63.10 H new ATOM 0 HH11 ARG A 14 17.091 -27.803 7.072 1.00 1.15 H new ATOM 0 HH12 ARG A 14 16.125 -28.412 8.420 1.00 1.15 H new ATOM 0 HH21 ARG A 14 15.803 -25.261 9.969 1.00 74.32 H new ATOM 0 HH22 ARG A 14 15.398 -26.978 10.054 1.00 74.32 H new ATOM 267 N ASP A 15 14.610 -24.405 3.647 1.00 31.32 N ATOM 268 CA ASP A 15 13.262 -24.212 3.125 1.00 62.14 C ATOM 269 C ASP A 15 12.931 -22.727 3.010 1.00 23.34 C ATOM 270 O ASP A 15 12.325 -22.290 2.032 1.00 12.25 O ATOM 271 CB ASP A 15 12.239 -24.908 4.024 1.00 40.32 C ATOM 272 CG ASP A 15 12.145 -26.396 3.751 1.00 63.04 C ATOM 273 OD1 ASP A 15 12.766 -26.859 2.771 1.00 22.34 O ATOM 274 OD2 ASP A 15 11.450 -27.097 4.516 1.00 64.44 O ATOM 0 H ASP A 15 14.652 -24.922 4.525 1.00 31.32 H new ATOM 0 HA ASP A 15 13.218 -24.653 2.129 1.00 62.14 H new ATOM 0 HB2 ASP A 15 12.510 -24.750 5.068 1.00 40.32 H new ATOM 0 HB3 ASP A 15 11.260 -24.452 3.876 1.00 40.32 H new ATOM 279 N ASP A 16 13.333 -21.958 4.016 1.00 33.13 N ATOM 280 CA ASP A 16 13.079 -20.522 4.029 1.00 31.11 C ATOM 281 C ASP A 16 13.663 -19.856 2.788 1.00 44.25 C ATOM 282 O ASP A 16 13.052 -18.960 2.207 1.00 73.04 O ATOM 283 CB ASP A 16 13.671 -19.889 5.289 1.00 20.13 C ATOM 284 CG ASP A 16 15.092 -20.347 5.554 1.00 33.14 C ATOM 285 OD1 ASP A 16 16.019 -19.804 4.917 1.00 20.44 O ATOM 286 OD2 ASP A 16 15.276 -21.247 6.400 1.00 64.45 O ATOM 0 H ASP A 16 13.836 -22.305 4.833 1.00 33.13 H new ATOM 0 HA ASP A 16 12.000 -20.369 4.028 1.00 31.11 H new ATOM 0 HB2 ASP A 16 13.655 -18.804 5.189 1.00 20.13 H new ATOM 0 HB3 ASP A 16 13.046 -20.139 6.146 1.00 20.13 H new ATOM 291 N GLU A 17 14.851 -20.299 2.388 1.00 62.33 N ATOM 292 CA GLU A 17 15.518 -19.744 1.216 1.00 5.12 C ATOM 293 C GLU A 17 14.945 -20.336 -0.068 1.00 41.22 C ATOM 294 O GLU A 17 14.603 -21.518 -0.122 1.00 12.12 O ATOM 295 CB GLU A 17 17.024 -20.009 1.285 1.00 32.34 C ATOM 296 CG GLU A 17 17.738 -19.189 2.347 1.00 63.54 C ATOM 297 CD GLU A 17 19.161 -18.840 1.954 1.00 33.23 C ATOM 298 OE1 GLU A 17 19.408 -18.623 0.750 1.00 64.31 O ATOM 299 OE2 GLU A 17 20.026 -18.784 2.853 1.00 43.51 O ATOM 0 H GLU A 17 15.371 -21.040 2.858 1.00 62.33 H new ATOM 0 HA GLU A 17 15.346 -18.668 1.208 1.00 5.12 H new ATOM 0 HB2 GLU A 17 17.189 -21.068 1.483 1.00 32.34 H new ATOM 0 HB3 GLU A 17 17.467 -19.794 0.313 1.00 32.34 H new ATOM 0 HG2 GLU A 17 17.179 -18.271 2.529 1.00 63.54 H new ATOM 0 HG3 GLU A 17 17.750 -19.746 3.284 1.00 63.54 H new ATOM 306 N LEU A 18 14.843 -19.506 -1.101 1.00 34.15 N ATOM 307 CA LEU A 18 14.310 -19.946 -2.386 1.00 2.24 C ATOM 308 C LEU A 18 15.345 -19.771 -3.492 1.00 40.44 C ATOM 309 O LEU A 18 15.906 -18.688 -3.666 1.00 31.41 O ATOM 310 CB LEU A 18 13.042 -19.163 -2.729 1.00 53.01 C ATOM 311 CG LEU A 18 12.248 -19.667 -3.935 1.00 35.35 C ATOM 312 CD1 LEU A 18 11.256 -20.739 -3.510 1.00 30.32 C ATOM 313 CD2 LEU A 18 11.528 -18.514 -4.620 1.00 25.43 C ATOM 0 H LEU A 18 15.122 -18.525 -1.074 1.00 34.15 H new ATOM 0 HA LEU A 18 14.065 -21.005 -2.307 1.00 2.24 H new ATOM 0 HB2 LEU A 18 12.387 -19.172 -1.858 1.00 53.01 H new ATOM 0 HB3 LEU A 18 13.318 -18.124 -2.909 1.00 53.01 H new ATOM 0 HG LEU A 18 12.946 -20.107 -4.647 1.00 35.35 H new ATOM 0 HD11 LEU A 18 10.700 -21.086 -4.381 1.00 30.32 H new ATOM 0 HD12 LEU A 18 11.794 -21.577 -3.065 1.00 30.32 H new ATOM 0 HD13 LEU A 18 10.563 -20.324 -2.779 1.00 30.32 H new ATOM 0 HD21 LEU A 18 10.968 -18.892 -5.476 1.00 25.43 H new ATOM 0 HD22 LEU A 18 10.841 -18.044 -3.916 1.00 25.43 H new ATOM 0 HD23 LEU A 18 12.258 -17.779 -4.960 1.00 25.43 H new ATOM 325 N ASP A 19 15.591 -20.841 -4.240 1.00 24.05 N ATOM 326 CA ASP A 19 16.556 -20.805 -5.332 1.00 63.13 C ATOM 327 C ASP A 19 16.007 -20.015 -6.516 1.00 44.12 C ATOM 328 O ASP A 19 14.828 -20.121 -6.854 1.00 64.41 O ATOM 329 CB ASP A 19 16.913 -22.226 -5.773 1.00 3.42 C ATOM 330 CG ASP A 19 17.213 -23.137 -4.599 1.00 65.44 C ATOM 331 OD1 ASP A 19 16.254 -23.627 -3.969 1.00 32.25 O ATOM 332 OD2 ASP A 19 18.408 -23.360 -4.311 1.00 62.54 O ATOM 0 H ASP A 19 15.135 -21.744 -4.110 1.00 24.05 H new ATOM 0 HA ASP A 19 17.457 -20.308 -4.972 1.00 63.13 H new ATOM 0 HB2 ASP A 19 16.088 -22.642 -6.351 1.00 3.42 H new ATOM 0 HB3 ASP A 19 17.779 -22.192 -6.434 1.00 3.42 H new ATOM 337 N VAL A 20 16.870 -19.221 -7.142 1.00 42.14 N ATOM 338 CA VAL A 20 16.472 -18.412 -8.289 1.00 22.44 C ATOM 339 C VAL A 20 17.622 -18.256 -9.277 1.00 5.02 C ATOM 340 O VAL A 20 18.792 -18.294 -8.895 1.00 20.11 O ATOM 341 CB VAL A 20 15.992 -17.016 -7.851 1.00 5.23 C ATOM 342 CG1 VAL A 20 17.146 -16.213 -7.268 1.00 72.21 C ATOM 343 CG2 VAL A 20 15.358 -16.280 -9.021 1.00 54.10 C ATOM 0 H VAL A 20 17.849 -19.120 -6.875 1.00 42.14 H new ATOM 0 HA VAL A 20 15.648 -18.935 -8.775 1.00 22.44 H new ATOM 0 HB VAL A 20 15.236 -17.137 -7.075 1.00 5.23 H new ATOM 0 HG11 VAL A 20 16.788 -15.229 -6.964 1.00 72.21 H new ATOM 0 HG12 VAL A 20 17.552 -16.735 -6.401 1.00 72.21 H new ATOM 0 HG13 VAL A 20 17.926 -16.098 -8.020 1.00 72.21 H new ATOM 0 HG21 VAL A 20 15.024 -15.295 -8.694 1.00 54.10 H new ATOM 0 HG22 VAL A 20 16.091 -16.168 -9.820 1.00 54.10 H new ATOM 0 HG23 VAL A 20 14.504 -16.849 -9.389 1.00 54.10 H new ATOM 353 N SER A 21 17.282 -18.079 -10.549 1.00 61.35 N ATOM 354 CA SER A 21 18.287 -17.920 -11.594 1.00 73.14 C ATOM 355 C SER A 21 18.290 -16.492 -12.132 1.00 31.31 C ATOM 356 O SER A 21 17.323 -15.744 -11.985 1.00 70.33 O ATOM 357 CB SER A 21 18.027 -18.906 -12.735 1.00 43.01 C ATOM 358 OG SER A 21 18.668 -20.146 -12.493 1.00 21.43 O ATOM 0 H SER A 21 16.318 -18.042 -10.881 1.00 61.35 H new ATOM 0 HA SER A 21 19.264 -18.128 -11.159 1.00 73.14 H new ATOM 0 HB2 SER A 21 16.954 -19.063 -12.847 1.00 43.01 H new ATOM 0 HB3 SER A 21 18.387 -18.484 -13.673 1.00 43.01 H new ATOM 0 HG SER A 21 18.800 -20.264 -11.529 1.00 21.43 H new ATOM 364 N PRO A 22 19.404 -16.104 -12.770 1.00 52.32 N ATOM 365 CA PRO A 22 19.561 -14.764 -13.343 1.00 41.25 C ATOM 366 C PRO A 22 18.670 -14.546 -14.561 1.00 52.04 C ATOM 367 O PRO A 22 18.779 -15.259 -15.558 1.00 34.22 O ATOM 368 CB PRO A 22 21.037 -14.722 -13.747 1.00 2.43 C ATOM 369 CG PRO A 22 21.412 -16.147 -13.962 1.00 71.22 C ATOM 370 CD PRO A 22 20.595 -16.943 -12.982 1.00 2.22 C ATOM 0 HA PRO A 22 19.275 -13.983 -12.638 1.00 41.25 H new ATOM 0 HB2 PRO A 22 21.183 -14.133 -14.653 1.00 2.43 H new ATOM 0 HB3 PRO A 22 21.648 -14.265 -12.968 1.00 2.43 H new ATOM 0 HG2 PRO A 22 21.202 -16.455 -14.986 1.00 71.22 H new ATOM 0 HG3 PRO A 22 22.478 -16.299 -13.795 1.00 71.22 H new ATOM 0 HD2 PRO A 22 20.331 -17.922 -13.381 1.00 2.22 H new ATOM 0 HD3 PRO A 22 21.137 -17.114 -12.052 1.00 2.22 H new ATOM 378 N GLY A 23 17.788 -13.555 -14.474 1.00 52.21 N ATOM 379 CA GLY A 23 16.891 -13.261 -15.576 1.00 53.13 C ATOM 380 C GLY A 23 15.455 -13.640 -15.272 1.00 51.21 C ATOM 381 O GLY A 23 14.580 -13.518 -16.129 1.00 12.45 O ATOM 0 H GLY A 23 17.679 -12.950 -13.660 1.00 52.21 H new ATOM 0 HA2 GLY A 23 16.941 -12.197 -15.807 1.00 53.13 H new ATOM 0 HA3 GLY A 23 17.225 -13.797 -16.465 1.00 53.13 H new ATOM 385 N GLU A 24 15.213 -14.102 -14.050 1.00 33.44 N ATOM 386 CA GLU A 24 13.873 -14.503 -13.637 1.00 12.25 C ATOM 387 C GLU A 24 13.132 -13.337 -12.988 1.00 41.44 C ATOM 388 O GLU A 24 13.743 -12.466 -12.370 1.00 62.30 O ATOM 389 CB GLU A 24 13.946 -15.680 -12.662 1.00 11.24 C ATOM 390 CG GLU A 24 14.114 -17.027 -13.345 1.00 14.41 C ATOM 391 CD GLU A 24 12.866 -17.463 -14.089 1.00 3.41 C ATOM 392 OE1 GLU A 24 11.754 -17.172 -13.602 1.00 14.23 O ATOM 393 OE2 GLU A 24 13.002 -18.094 -15.157 1.00 64.23 O ATOM 0 H GLU A 24 15.926 -14.208 -13.329 1.00 33.44 H new ATOM 0 HA GLU A 24 13.324 -14.811 -14.527 1.00 12.25 H new ATOM 0 HB2 GLU A 24 14.780 -15.523 -11.978 1.00 11.24 H new ATOM 0 HB3 GLU A 24 13.038 -15.698 -12.059 1.00 11.24 H new ATOM 0 HG2 GLU A 24 14.949 -16.975 -14.043 1.00 14.41 H new ATOM 0 HG3 GLU A 24 14.369 -17.779 -12.599 1.00 14.41 H new ATOM 400 N ASN A 25 11.811 -13.327 -13.136 1.00 2.00 N ATOM 401 CA ASN A 25 10.986 -12.268 -12.566 1.00 42.24 C ATOM 402 C ASN A 25 10.461 -12.667 -11.191 1.00 20.41 C ATOM 403 O ASN A 25 10.074 -13.816 -10.972 1.00 33.03 O ATOM 404 CB ASN A 25 9.816 -11.948 -13.498 1.00 52.53 C ATOM 405 CG ASN A 25 10.268 -11.657 -14.916 1.00 44.12 C ATOM 406 OD1 ASN A 25 10.707 -12.554 -15.636 1.00 75.41 O ATOM 407 ND2 ASN A 25 10.164 -10.397 -15.324 1.00 24.41 N ATOM 0 H ASN A 25 11.289 -14.040 -13.646 1.00 2.00 H new ATOM 0 HA ASN A 25 11.607 -11.379 -12.454 1.00 42.24 H new ATOM 0 HB2 ASN A 25 9.122 -12.788 -13.506 1.00 52.53 H new ATOM 0 HB3 ASN A 25 9.271 -11.088 -13.110 1.00 52.53 H new ATOM 0 HD21 ASN A 25 10.454 -10.141 -16.268 1.00 24.41 H new ATOM 0 HD22 ASN A 25 9.794 -9.686 -14.693 1.00 24.41 H new ATOM 414 N LEU A 26 10.450 -11.712 -10.268 1.00 22.44 N ATOM 415 CA LEU A 26 9.972 -11.964 -8.913 1.00 12.35 C ATOM 416 C LEU A 26 9.181 -10.771 -8.384 1.00 62.03 C ATOM 417 O LEU A 26 9.493 -9.621 -8.693 1.00 4.15 O ATOM 418 CB LEU A 26 11.149 -12.262 -7.982 1.00 73.42 C ATOM 419 CG LEU A 26 11.836 -13.613 -8.182 1.00 64.43 C ATOM 420 CD1 LEU A 26 13.052 -13.465 -9.084 1.00 23.25 C ATOM 421 CD2 LEU A 26 12.234 -14.213 -6.841 1.00 70.24 C ATOM 0 H LEU A 26 10.766 -10.756 -10.433 1.00 22.44 H new ATOM 0 HA LEU A 26 9.312 -12.831 -8.943 1.00 12.35 H new ATOM 0 HB2 LEU A 26 11.894 -11.476 -8.107 1.00 73.42 H new ATOM 0 HB3 LEU A 26 10.796 -12.205 -6.952 1.00 73.42 H new ATOM 0 HG LEU A 26 11.131 -14.290 -8.665 1.00 64.43 H new ATOM 0 HD11 LEU A 26 13.528 -14.437 -9.215 1.00 23.25 H new ATOM 0 HD12 LEU A 26 12.740 -13.080 -10.055 1.00 23.25 H new ATOM 0 HD13 LEU A 26 13.760 -12.772 -8.629 1.00 23.25 H new ATOM 0 HD21 LEU A 26 12.722 -15.174 -7.003 1.00 70.24 H new ATOM 0 HD22 LEU A 26 12.922 -13.539 -6.330 1.00 70.24 H new ATOM 0 HD23 LEU A 26 11.344 -14.356 -6.228 1.00 70.24 H new ATOM 433 N SER A 27 8.157 -11.053 -7.585 1.00 62.42 N ATOM 434 CA SER A 27 7.321 -10.004 -7.015 1.00 33.02 C ATOM 435 C SER A 27 7.737 -9.697 -5.580 1.00 23.14 C ATOM 436 O SER A 27 7.599 -10.536 -4.689 1.00 13.22 O ATOM 437 CB SER A 27 5.849 -10.419 -7.053 1.00 14.11 C ATOM 438 OG SER A 27 5.024 -9.337 -7.450 1.00 11.15 O ATOM 0 H SER A 27 7.887 -12.000 -7.318 1.00 62.42 H new ATOM 0 HA SER A 27 7.453 -9.103 -7.614 1.00 33.02 H new ATOM 0 HB2 SER A 27 5.720 -11.251 -7.745 1.00 14.11 H new ATOM 0 HB3 SER A 27 5.542 -10.772 -6.069 1.00 14.11 H new ATOM 0 HG SER A 27 5.403 -8.912 -8.248 1.00 11.15 H new ATOM 444 N ILE A 28 8.248 -8.490 -5.364 1.00 2.40 N ATOM 445 CA ILE A 28 8.684 -8.071 -4.038 1.00 2.23 C ATOM 446 C ILE A 28 7.494 -7.702 -3.159 1.00 11.32 C ATOM 447 O ILE A 28 6.465 -7.239 -3.652 1.00 73.14 O ATOM 448 CB ILE A 28 9.644 -6.869 -4.114 1.00 10.20 C ATOM 449 CG1 ILE A 28 10.779 -7.156 -5.100 1.00 35.04 C ATOM 450 CG2 ILE A 28 10.201 -6.548 -2.735 1.00 43.33 C ATOM 451 CD1 ILE A 28 11.739 -6.000 -5.268 1.00 65.13 C ATOM 0 H ILE A 28 8.370 -7.785 -6.091 1.00 2.40 H new ATOM 0 HA ILE A 28 9.210 -8.918 -3.597 1.00 2.23 H new ATOM 0 HB ILE A 28 9.089 -6.001 -4.471 1.00 10.20 H new ATOM 0 HG12 ILE A 28 11.333 -8.031 -4.760 1.00 35.04 H new ATOM 0 HG13 ILE A 28 10.352 -7.407 -6.071 1.00 35.04 H new ATOM 0 HG21 ILE A 28 10.878 -5.696 -2.805 1.00 43.33 H new ATOM 0 HG22 ILE A 28 9.381 -6.305 -2.059 1.00 43.33 H new ATOM 0 HG23 ILE A 28 10.744 -7.412 -2.352 1.00 43.33 H new ATOM 0 HD11 ILE A 28 12.517 -6.274 -5.981 1.00 65.13 H new ATOM 0 HD12 ILE A 28 11.198 -5.129 -5.638 1.00 65.13 H new ATOM 0 HD13 ILE A 28 12.195 -5.763 -4.307 1.00 65.13 H new ATOM 463 N CYS A 29 7.642 -7.907 -1.855 1.00 22.40 N ATOM 464 CA CYS A 29 6.579 -7.595 -0.906 1.00 24.11 C ATOM 465 C CYS A 29 7.073 -6.626 0.164 1.00 71.33 C ATOM 466 O CYS A 29 6.329 -5.759 0.621 1.00 71.31 O ATOM 467 CB CYS A 29 6.060 -8.876 -0.251 1.00 12.32 C ATOM 468 SG CYS A 29 5.691 -10.206 -1.419 1.00 43.51 S ATOM 0 H CYS A 29 8.488 -8.288 -1.431 1.00 22.40 H new ATOM 0 HA CYS A 29 5.765 -7.120 -1.453 1.00 24.11 H new ATOM 0 HB2 CYS A 29 6.801 -9.231 0.465 1.00 12.32 H new ATOM 0 HB3 CYS A 29 5.158 -8.642 0.314 1.00 12.32 H new ATOM 0 HG CYS A 29 4.777 -9.809 -2.254 1.00 43.51 H new ATOM 474 N ALA A 30 8.332 -6.781 0.559 1.00 22.22 N ATOM 475 CA ALA A 30 8.925 -5.920 1.575 1.00 63.22 C ATOM 476 C ALA A 30 10.442 -6.078 1.611 1.00 34.33 C ATOM 477 O ALA A 30 11.003 -6.937 0.930 1.00 31.34 O ATOM 478 CB ALA A 30 8.328 -6.226 2.940 1.00 11.23 C ATOM 0 H ALA A 30 8.961 -7.495 0.191 1.00 22.22 H new ATOM 0 HA ALA A 30 8.700 -4.885 1.316 1.00 63.22 H new ATOM 0 HB1 ALA A 30 8.780 -5.576 3.689 1.00 11.23 H new ATOM 0 HB2 ALA A 30 7.252 -6.055 2.913 1.00 11.23 H new ATOM 0 HB3 ALA A 30 8.524 -7.267 3.198 1.00 11.23 H new ATOM 484 N HIS A 31 11.100 -5.244 2.410 1.00 50.25 N ATOM 485 CA HIS A 31 12.552 -5.291 2.534 1.00 25.43 C ATOM 486 C HIS A 31 12.967 -5.475 3.991 1.00 31.21 C ATOM 487 O HIS A 31 12.124 -5.496 4.889 1.00 62.04 O ATOM 488 CB HIS A 31 13.176 -4.014 1.972 1.00 51.41 C ATOM 489 CG HIS A 31 12.996 -2.819 2.857 1.00 33.25 C ATOM 490 ND1 HIS A 31 14.042 -2.015 3.258 1.00 15.22 N ATOM 491 CD2 HIS A 31 11.882 -2.293 3.419 1.00 71.23 C ATOM 492 CE1 HIS A 31 13.579 -1.047 4.029 1.00 1.31 C ATOM 493 NE2 HIS A 31 12.271 -1.193 4.142 1.00 43.41 N ATOM 0 H HIS A 31 10.651 -4.528 2.981 1.00 50.25 H new ATOM 0 HA HIS A 31 12.913 -6.145 1.960 1.00 25.43 H new ATOM 0 HB2 HIS A 31 14.241 -4.180 1.812 1.00 51.41 H new ATOM 0 HB3 HIS A 31 12.736 -3.803 0.997 1.00 51.41 H new ATOM 0 HD2 HIS A 31 10.875 -2.669 3.317 1.00 71.23 H new ATOM 0 HE1 HIS A 31 14.170 -0.269 4.489 1.00 1.31 H new ATOM 0 HE2 HIS A 31 11.651 -0.587 4.679 1.00 43.41 H new ATOM 501 N TYR A 32 14.269 -5.609 4.218 1.00 12.33 N ATOM 502 CA TYR A 32 14.794 -5.794 5.566 1.00 64.03 C ATOM 503 C TYR A 32 16.051 -4.956 5.780 1.00 0.13 C ATOM 504 O TYR A 32 17.146 -5.341 5.369 1.00 75.13 O ATOM 505 CB TYR A 32 15.104 -7.271 5.816 1.00 0.12 C ATOM 506 CG TYR A 32 15.353 -7.599 7.271 1.00 35.11 C ATOM 507 CD1 TYR A 32 14.296 -7.840 8.140 1.00 75.42 C ATOM 508 CD2 TYR A 32 16.645 -7.669 7.777 1.00 50.23 C ATOM 509 CE1 TYR A 32 14.518 -8.140 9.470 1.00 42.21 C ATOM 510 CE2 TYR A 32 16.877 -7.969 9.105 1.00 21.11 C ATOM 511 CZ TYR A 32 15.811 -8.203 9.948 1.00 75.23 C ATOM 512 OH TYR A 32 16.036 -8.503 11.272 1.00 45.44 O ATOM 0 H TYR A 32 14.980 -5.593 3.487 1.00 12.33 H new ATOM 0 HA TYR A 32 14.034 -5.464 6.274 1.00 64.03 H new ATOM 0 HB2 TYR A 32 14.272 -7.875 5.453 1.00 0.12 H new ATOM 0 HB3 TYR A 32 15.981 -7.553 5.233 1.00 0.12 H new ATOM 0 HD1 TYR A 32 13.283 -7.792 7.769 1.00 75.42 H new ATOM 0 HD2 TYR A 32 17.483 -7.486 7.120 1.00 50.23 H new ATOM 0 HE1 TYR A 32 13.685 -8.324 10.132 1.00 42.21 H new ATOM 0 HE2 TYR A 32 17.888 -8.020 9.481 1.00 21.11 H new ATOM 0 HH TYR A 32 17.000 -8.509 11.447 1.00 45.44 H new ATOM 522 N ASP A 33 15.885 -3.808 6.428 1.00 31.10 N ATOM 523 CA ASP A 33 17.005 -2.915 6.700 1.00 11.41 C ATOM 524 C ASP A 33 17.740 -2.556 5.412 1.00 74.50 C ATOM 525 O ASP A 33 18.923 -2.219 5.434 1.00 44.20 O ATOM 526 CB ASP A 33 17.973 -3.563 7.691 1.00 42.13 C ATOM 527 CG ASP A 33 19.039 -2.599 8.173 1.00 1.05 C ATOM 528 OD1 ASP A 33 18.688 -1.634 8.884 1.00 60.02 O ATOM 529 OD2 ASP A 33 20.224 -2.809 7.840 1.00 24.12 O ATOM 0 H ASP A 33 14.986 -3.474 6.775 1.00 31.10 H new ATOM 0 HA ASP A 33 16.609 -1.999 7.138 1.00 11.41 H new ATOM 0 HB2 ASP A 33 17.414 -3.940 8.547 1.00 42.13 H new ATOM 0 HB3 ASP A 33 18.450 -4.422 7.219 1.00 42.13 H new ATOM 534 N TYR A 34 17.030 -2.633 4.292 1.00 63.54 N ATOM 535 CA TYR A 34 17.616 -2.321 2.993 1.00 13.13 C ATOM 536 C TYR A 34 18.728 -3.305 2.646 1.00 23.51 C ATOM 537 O TYR A 34 19.532 -3.058 1.748 1.00 22.11 O ATOM 538 CB TYR A 34 18.163 -0.893 2.988 1.00 44.31 C ATOM 539 CG TYR A 34 17.177 0.136 3.493 1.00 21.12 C ATOM 540 CD1 TYR A 34 17.107 0.456 4.843 1.00 3.13 C ATOM 541 CD2 TYR A 34 16.315 0.788 2.620 1.00 45.42 C ATOM 542 CE1 TYR A 34 16.207 1.395 5.309 1.00 22.42 C ATOM 543 CE2 TYR A 34 15.413 1.729 3.077 1.00 41.53 C ATOM 544 CZ TYR A 34 15.362 2.029 4.422 1.00 24.31 C ATOM 545 OH TYR A 34 14.465 2.965 4.882 1.00 3.32 O ATOM 0 H TYR A 34 16.049 -2.909 4.257 1.00 63.54 H new ATOM 0 HA TYR A 34 16.833 -2.406 2.239 1.00 13.13 H new ATOM 0 HB2 TYR A 34 19.062 -0.855 3.604 1.00 44.31 H new ATOM 0 HB3 TYR A 34 18.461 -0.631 1.973 1.00 44.31 H new ATOM 0 HD1 TYR A 34 17.768 -0.038 5.540 1.00 3.13 H new ATOM 0 HD2 TYR A 34 16.351 0.555 1.566 1.00 45.42 H new ATOM 0 HE1 TYR A 34 16.165 1.631 6.362 1.00 22.42 H new ATOM 0 HE2 TYR A 34 14.751 2.227 2.384 1.00 41.53 H new ATOM 0 HH TYR A 34 13.945 3.318 4.130 1.00 3.32 H new ATOM 555 N GLU A 35 18.766 -4.423 3.365 1.00 22.10 N ATOM 556 CA GLU A 35 19.780 -5.445 3.134 1.00 72.55 C ATOM 557 C GLU A 35 19.194 -6.629 2.369 1.00 70.10 C ATOM 558 O GLU A 35 19.749 -7.066 1.361 1.00 52.14 O ATOM 559 CB GLU A 35 20.367 -5.923 4.463 1.00 30.42 C ATOM 560 CG GLU A 35 20.660 -4.796 5.439 1.00 32.44 C ATOM 561 CD GLU A 35 21.580 -3.743 4.855 1.00 42.42 C ATOM 562 OE1 GLU A 35 22.279 -4.047 3.866 1.00 52.14 O ATOM 563 OE2 GLU A 35 21.601 -2.613 5.387 1.00 2.01 O ATOM 0 H GLU A 35 18.107 -4.644 4.112 1.00 22.10 H new ATOM 0 HA GLU A 35 20.574 -5.003 2.533 1.00 72.55 H new ATOM 0 HB2 GLU A 35 19.672 -6.623 4.927 1.00 30.42 H new ATOM 0 HB3 GLU A 35 21.288 -6.472 4.267 1.00 30.42 H new ATOM 0 HG2 GLU A 35 19.723 -4.328 5.739 1.00 32.44 H new ATOM 0 HG3 GLU A 35 21.113 -5.209 6.340 1.00 32.44 H new ATOM 570 N TRP A 36 18.071 -7.143 2.857 1.00 53.13 N ATOM 571 CA TRP A 36 17.409 -8.276 2.220 1.00 24.41 C ATOM 572 C TRP A 36 16.083 -7.854 1.599 1.00 52.04 C ATOM 573 O TRP A 36 15.542 -6.797 1.924 1.00 5.31 O ATOM 574 CB TRP A 36 17.177 -9.395 3.237 1.00 0.35 C ATOM 575 CG TRP A 36 18.447 -9.965 3.794 1.00 14.42 C ATOM 576 CD1 TRP A 36 19.175 -9.475 4.840 1.00 4.31 C ATOM 577 CD2 TRP A 36 19.137 -11.131 3.333 1.00 42.33 C ATOM 578 NE1 TRP A 36 20.278 -10.266 5.057 1.00 75.24 N ATOM 579 CE2 TRP A 36 20.277 -11.289 4.146 1.00 74.23 C ATOM 580 CE3 TRP A 36 18.903 -12.058 2.313 1.00 1.54 C ATOM 581 CZ2 TRP A 36 21.178 -12.336 3.968 1.00 15.32 C ATOM 582 CZ3 TRP A 36 19.798 -13.095 2.138 1.00 24.43 C ATOM 583 CH2 TRP A 36 20.924 -13.228 2.963 1.00 72.44 C ATOM 0 H TRP A 36 17.600 -6.794 3.691 1.00 53.13 H new ATOM 0 HA TRP A 36 18.059 -8.645 1.426 1.00 24.41 H new ATOM 0 HB2 TRP A 36 16.569 -9.011 4.057 1.00 0.35 H new ATOM 0 HB3 TRP A 36 16.606 -10.194 2.764 1.00 0.35 H new ATOM 0 HD1 TRP A 36 18.921 -8.595 5.413 1.00 4.31 H new ATOM 0 HE1 TRP A 36 20.983 -10.116 5.779 1.00 75.24 H new ATOM 0 HE3 TRP A 36 18.038 -11.965 1.673 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 22.047 -12.440 4.601 1.00 15.32 H new ATOM 0 HZ3 TRP A 36 19.628 -13.816 1.352 1.00 24.43 H new ATOM 0 HH2 TRP A 36 21.604 -14.051 2.802 1.00 72.44 H new ATOM 594 N PHE A 37 15.562 -8.686 0.703 1.00 63.22 N ATOM 595 CA PHE A 37 14.298 -8.398 0.035 1.00 4.21 C ATOM 596 C PHE A 37 13.413 -9.640 -0.014 1.00 45.11 C ATOM 597 O PHE A 37 13.907 -10.762 -0.130 1.00 31.15 O ATOM 598 CB PHE A 37 14.552 -7.882 -1.383 1.00 24.11 C ATOM 599 CG PHE A 37 14.285 -6.413 -1.543 1.00 53.14 C ATOM 600 CD1 PHE A 37 13.022 -5.895 -1.304 1.00 72.23 C ATOM 601 CD2 PHE A 37 15.296 -5.549 -1.933 1.00 32.52 C ATOM 602 CE1 PHE A 37 12.773 -4.544 -1.452 1.00 52.11 C ATOM 603 CE2 PHE A 37 15.053 -4.197 -2.082 1.00 12.01 C ATOM 604 CZ PHE A 37 13.790 -3.693 -1.840 1.00 73.51 C ATOM 0 H PHE A 37 15.996 -9.566 0.423 1.00 63.22 H new ATOM 0 HA PHE A 37 13.781 -7.628 0.607 1.00 4.21 H new ATOM 0 HB2 PHE A 37 15.587 -8.087 -1.656 1.00 24.11 H new ATOM 0 HB3 PHE A 37 13.923 -8.436 -2.081 1.00 24.11 H new ATOM 0 HD1 PHE A 37 12.223 -6.555 -0.999 1.00 72.23 H new ATOM 0 HD2 PHE A 37 16.286 -5.937 -2.123 1.00 32.52 H new ATOM 0 HE1 PHE A 37 11.784 -4.153 -1.264 1.00 52.11 H new ATOM 0 HE2 PHE A 37 15.850 -3.535 -2.387 1.00 12.01 H new ATOM 0 HZ PHE A 37 13.598 -2.636 -1.954 1.00 73.51 H new ATOM 614 N ILE A 38 12.104 -9.430 0.075 1.00 64.22 N ATOM 615 CA ILE A 38 11.151 -10.532 0.040 1.00 53.11 C ATOM 616 C ILE A 38 10.454 -10.613 -1.314 1.00 62.32 C ATOM 617 O ILE A 38 9.459 -9.930 -1.554 1.00 44.10 O ATOM 618 CB ILE A 38 10.087 -10.390 1.144 1.00 34.42 C ATOM 619 CG1 ILE A 38 10.736 -9.938 2.454 1.00 50.34 C ATOM 620 CG2 ILE A 38 9.348 -11.706 1.340 1.00 24.20 C ATOM 621 CD1 ILE A 38 11.840 -10.856 2.930 1.00 50.34 C ATOM 0 H ILE A 38 11.680 -8.508 0.172 1.00 64.22 H new ATOM 0 HA ILE A 38 11.719 -11.447 0.209 1.00 53.11 H new ATOM 0 HB ILE A 38 9.366 -9.632 0.837 1.00 34.42 H new ATOM 0 HG12 ILE A 38 11.141 -8.934 2.322 1.00 50.34 H new ATOM 0 HG13 ILE A 38 9.970 -9.874 3.226 1.00 50.34 H new ATOM 0 HG21 ILE A 38 8.599 -11.590 2.124 1.00 24.20 H new ATOM 0 HG22 ILE A 38 8.858 -11.990 0.409 1.00 24.20 H new ATOM 0 HG23 ILE A 38 10.057 -12.482 1.628 1.00 24.20 H new ATOM 0 HD11 ILE A 38 12.254 -10.474 3.863 1.00 50.34 H new ATOM 0 HD12 ILE A 38 11.437 -11.855 3.094 1.00 50.34 H new ATOM 0 HD13 ILE A 38 12.626 -10.901 2.176 1.00 50.34 H new ATOM 633 N ALA A 39 10.983 -11.456 -2.196 1.00 1.52 N ATOM 634 CA ALA A 39 10.410 -11.630 -3.525 1.00 2.23 C ATOM 635 C ALA A 39 9.897 -13.053 -3.719 1.00 51.50 C ATOM 636 O ALA A 39 10.479 -14.009 -3.207 1.00 35.14 O ATOM 637 CB ALA A 39 11.439 -11.287 -4.592 1.00 60.41 C ATOM 0 H ALA A 39 11.807 -12.029 -2.014 1.00 1.52 H new ATOM 0 HA ALA A 39 9.563 -10.950 -3.621 1.00 2.23 H new ATOM 0 HB1 ALA A 39 10.998 -11.421 -5.580 1.00 60.41 H new ATOM 0 HB2 ALA A 39 11.754 -10.250 -4.473 1.00 60.41 H new ATOM 0 HB3 ALA A 39 12.303 -11.943 -4.488 1.00 60.41 H new ATOM 643 N LYS A 40 8.803 -13.186 -4.462 1.00 3.32 N ATOM 644 CA LYS A 40 8.211 -14.492 -4.725 1.00 11.31 C ATOM 645 C LYS A 40 8.266 -14.824 -6.213 1.00 32.34 C ATOM 646 O LYS A 40 8.363 -13.943 -7.067 1.00 22.30 O ATOM 647 CB LYS A 40 6.761 -14.524 -4.237 1.00 74.34 C ATOM 648 CG LYS A 40 5.981 -13.262 -4.563 1.00 71.21 C ATOM 649 CD LYS A 40 4.496 -13.548 -4.716 1.00 3.34 C ATOM 650 CE LYS A 40 3.783 -13.521 -3.373 1.00 13.14 C ATOM 651 NZ LYS A 40 3.349 -12.145 -3.002 1.00 73.45 N ATOM 0 H LYS A 40 8.309 -12.405 -4.893 1.00 3.32 H new ATOM 0 HA LYS A 40 8.787 -15.241 -4.182 1.00 11.31 H new ATOM 0 HB2 LYS A 40 6.255 -15.379 -4.684 1.00 74.34 H new ATOM 0 HB3 LYS A 40 6.753 -14.677 -3.158 1.00 74.34 H new ATOM 0 HG2 LYS A 40 6.131 -12.526 -3.773 1.00 71.21 H new ATOM 0 HG3 LYS A 40 6.365 -12.824 -5.484 1.00 71.21 H new ATOM 0 HD2 LYS A 40 4.049 -12.810 -5.382 1.00 3.34 H new ATOM 0 HD3 LYS A 40 4.358 -14.523 -5.183 1.00 3.34 H new ATOM 0 HE2 LYS A 40 2.914 -14.178 -3.410 1.00 13.14 H new ATOM 0 HE3 LYS A 40 4.446 -13.913 -2.602 1.00 13.14 H new ATOM 0 HZ1 LYS A 40 2.520 -12.199 -2.377 1.00 73.45 H new ATOM 0 HZ2 LYS A 40 4.124 -11.658 -2.508 1.00 73.45 H new ATOM 0 HZ3 LYS A 40 3.100 -11.616 -3.862 1.00 73.45 H new ATOM 665 N PRO A 41 8.201 -16.125 -6.532 1.00 35.53 N ATOM 666 CA PRO A 41 8.239 -16.604 -7.917 1.00 10.31 C ATOM 667 C PRO A 41 6.971 -16.250 -8.688 1.00 25.55 C ATOM 668 O PRO A 41 5.860 -16.475 -8.208 1.00 13.20 O ATOM 669 CB PRO A 41 8.367 -18.121 -7.765 1.00 31.42 C ATOM 670 CG PRO A 41 7.774 -18.420 -6.431 1.00 2.31 C ATOM 671 CD PRO A 41 8.084 -17.230 -5.565 1.00 34.01 C ATOM 0 HA PRO A 41 9.052 -16.149 -8.483 1.00 10.31 H new ATOM 0 HB2 PRO A 41 7.837 -18.645 -8.560 1.00 31.42 H new ATOM 0 HB3 PRO A 41 9.409 -18.437 -7.815 1.00 31.42 H new ATOM 0 HG2 PRO A 41 6.698 -18.577 -6.508 1.00 2.31 H new ATOM 0 HG3 PRO A 41 8.200 -19.331 -6.010 1.00 2.31 H new ATOM 0 HD2 PRO A 41 7.293 -17.045 -4.838 1.00 34.01 H new ATOM 0 HD3 PRO A 41 9.007 -17.372 -5.003 1.00 34.01 H new ATOM 679 N ILE A 42 7.146 -15.698 -9.883 1.00 42.21 N ATOM 680 CA ILE A 42 6.016 -15.315 -10.720 1.00 34.50 C ATOM 681 C ILE A 42 5.610 -16.454 -11.650 1.00 44.11 C ATOM 682 O ILE A 42 4.426 -16.746 -11.811 1.00 23.14 O ATOM 683 CB ILE A 42 6.336 -14.068 -11.564 1.00 3.43 C ATOM 684 CG1 ILE A 42 6.868 -12.944 -10.671 1.00 73.30 C ATOM 685 CG2 ILE A 42 5.100 -13.609 -12.322 1.00 53.10 C ATOM 686 CD1 ILE A 42 7.218 -11.684 -11.430 1.00 41.31 C ATOM 0 H ILE A 42 8.060 -15.506 -10.294 1.00 42.21 H new ATOM 0 HA ILE A 42 5.190 -15.085 -10.047 1.00 34.50 H new ATOM 0 HB ILE A 42 7.107 -14.327 -12.289 1.00 3.43 H new ATOM 0 HG12 ILE A 42 6.120 -12.707 -9.915 1.00 73.30 H new ATOM 0 HG13 ILE A 42 7.753 -13.298 -10.143 1.00 73.30 H new ATOM 0 HG21 ILE A 42 5.343 -12.726 -12.914 1.00 53.10 H new ATOM 0 HG22 ILE A 42 4.761 -14.407 -12.983 1.00 53.10 H new ATOM 0 HG23 ILE A 42 4.309 -13.364 -11.613 1.00 53.10 H new ATOM 0 HD11 ILE A 42 7.588 -10.931 -10.734 1.00 41.31 H new ATOM 0 HD12 ILE A 42 7.989 -11.906 -12.168 1.00 41.31 H new ATOM 0 HD13 ILE A 42 6.330 -11.305 -11.936 1.00 41.31 H new ATOM 769 N PRO A 47 6.755 -17.877 -1.280 1.00 20.33 N ATOM 770 CA PRO A 47 7.632 -16.725 -1.050 1.00 31.35 C ATOM 771 C PRO A 47 8.912 -17.109 -0.315 1.00 12.34 C ATOM 772 O PRO A 47 8.872 -17.803 0.700 1.00 3.12 O ATOM 773 CB PRO A 47 6.777 -15.796 -0.185 1.00 13.22 C ATOM 774 CG PRO A 47 5.813 -16.699 0.503 1.00 35.34 C ATOM 775 CD PRO A 47 5.532 -17.818 -0.462 1.00 1.24 C ATOM 0 HA PRO A 47 7.965 -16.273 -1.984 1.00 31.35 H new ATOM 0 HB2 PRO A 47 7.389 -15.249 0.533 1.00 13.22 H new ATOM 0 HB3 PRO A 47 6.259 -15.054 -0.793 1.00 13.22 H new ATOM 0 HG2 PRO A 47 6.233 -17.082 1.433 1.00 35.34 H new ATOM 0 HG3 PRO A 47 4.897 -16.168 0.762 1.00 35.34 H new ATOM 0 HD2 PRO A 47 5.349 -18.759 0.056 1.00 1.24 H new ATOM 0 HD3 PRO A 47 4.651 -17.613 -1.070 1.00 1.24 H new ATOM 783 N GLY A 48 10.047 -16.651 -0.834 1.00 40.01 N ATOM 784 CA GLY A 48 11.323 -16.956 -0.214 1.00 31.33 C ATOM 785 C GLY A 48 12.066 -15.711 0.228 1.00 14.11 C ATOM 786 O GLY A 48 11.452 -14.681 0.510 1.00 4.52 O ATOM 0 H GLY A 48 10.106 -16.074 -1.673 1.00 40.01 H new ATOM 0 HA2 GLY A 48 11.159 -17.603 0.648 1.00 31.33 H new ATOM 0 HA3 GLY A 48 11.941 -17.514 -0.918 1.00 31.33 H new ATOM 790 N LEU A 49 13.389 -15.804 0.290 1.00 22.44 N ATOM 791 CA LEU A 49 14.217 -14.676 0.703 1.00 23.40 C ATOM 792 C LEU A 49 15.354 -14.444 -0.287 1.00 71.33 C ATOM 793 O LEU A 49 16.086 -15.370 -0.636 1.00 62.43 O ATOM 794 CB LEU A 49 14.786 -14.921 2.102 1.00 42.22 C ATOM 795 CG LEU A 49 14.779 -13.720 3.049 1.00 75.23 C ATOM 796 CD1 LEU A 49 15.206 -12.459 2.315 1.00 54.34 C ATOM 797 CD2 LEU A 49 13.401 -13.538 3.668 1.00 34.42 C ATOM 0 H LEU A 49 13.912 -16.649 0.060 1.00 22.44 H new ATOM 0 HA LEU A 49 13.590 -13.785 0.723 1.00 23.40 H new ATOM 0 HB2 LEU A 49 14.220 -15.728 2.567 1.00 42.22 H new ATOM 0 HB3 LEU A 49 15.813 -15.271 1.999 1.00 42.22 H new ATOM 0 HG LEU A 49 15.494 -13.909 3.850 1.00 75.23 H new ATOM 0 HD11 LEU A 49 15.195 -11.615 3.005 1.00 54.34 H new ATOM 0 HD12 LEU A 49 16.213 -12.591 1.920 1.00 54.34 H new ATOM 0 HD13 LEU A 49 14.516 -12.265 1.493 1.00 54.34 H new ATOM 0 HD21 LEU A 49 13.414 -12.679 4.339 1.00 34.42 H new ATOM 0 HD22 LEU A 49 12.667 -13.371 2.880 1.00 34.42 H new ATOM 0 HD23 LEU A 49 13.133 -14.433 4.230 1.00 34.42 H new ATOM 809 N VAL A 50 15.497 -13.201 -0.735 1.00 71.15 N ATOM 810 CA VAL A 50 16.547 -12.846 -1.683 1.00 54.00 C ATOM 811 C VAL A 50 17.142 -11.481 -1.357 1.00 43.02 C ATOM 812 O VAL A 50 16.430 -10.503 -1.132 1.00 14.24 O ATOM 813 CB VAL A 50 16.016 -12.830 -3.129 1.00 33.32 C ATOM 814 CG1 VAL A 50 14.940 -11.767 -3.292 1.00 5.25 C ATOM 815 CG2 VAL A 50 17.154 -12.604 -4.112 1.00 5.44 C ATOM 0 H VAL A 50 14.899 -12.423 -0.457 1.00 71.15 H new ATOM 0 HA VAL A 50 17.322 -13.608 -1.597 1.00 54.00 H new ATOM 0 HB VAL A 50 15.569 -13.801 -3.344 1.00 33.32 H new ATOM 0 HG11 VAL A 50 14.577 -11.771 -4.320 1.00 5.25 H new ATOM 0 HG12 VAL A 50 14.113 -11.980 -2.615 1.00 5.25 H new ATOM 0 HG13 VAL A 50 15.358 -10.788 -3.059 1.00 5.25 H new ATOM 0 HG21 VAL A 50 16.761 -12.596 -5.128 1.00 5.44 H new ATOM 0 HG22 VAL A 50 17.633 -11.648 -3.900 1.00 5.44 H new ATOM 0 HG23 VAL A 50 17.885 -13.406 -4.013 1.00 5.44 H new ATOM 825 N PRO A 51 18.482 -11.411 -1.332 1.00 15.32 N ATOM 826 CA PRO A 51 19.204 -10.170 -1.036 1.00 14.15 C ATOM 827 C PRO A 51 19.073 -9.142 -2.154 1.00 62.03 C ATOM 828 O PRO A 51 18.655 -9.468 -3.265 1.00 61.42 O ATOM 829 CB PRO A 51 20.657 -10.630 -0.898 1.00 43.55 C ATOM 830 CG PRO A 51 20.739 -11.875 -1.711 1.00 72.42 C ATOM 831 CD PRO A 51 19.394 -12.537 -1.591 1.00 31.11 C ATOM 0 HA PRO A 51 18.814 -9.673 -0.148 1.00 14.15 H new ATOM 0 HB2 PRO A 51 21.349 -9.872 -1.265 1.00 43.55 H new ATOM 0 HB3 PRO A 51 20.915 -10.820 0.144 1.00 43.55 H new ATOM 0 HG2 PRO A 51 20.970 -11.647 -2.751 1.00 72.42 H new ATOM 0 HG3 PRO A 51 21.530 -12.529 -1.344 1.00 72.42 H new ATOM 0 HD2 PRO A 51 19.126 -13.070 -2.503 1.00 31.11 H new ATOM 0 HD3 PRO A 51 19.375 -13.264 -0.779 1.00 31.11 H new ATOM 839 N VAL A 52 19.434 -7.898 -1.854 1.00 61.42 N ATOM 840 CA VAL A 52 19.359 -6.823 -2.835 1.00 52.44 C ATOM 841 C VAL A 52 20.473 -6.943 -3.869 1.00 53.13 C ATOM 842 O VAL A 52 20.373 -6.400 -4.970 1.00 24.52 O ATOM 843 CB VAL A 52 19.446 -5.441 -2.161 1.00 5.40 C ATOM 844 CG1 VAL A 52 19.111 -4.339 -3.155 1.00 22.02 C ATOM 845 CG2 VAL A 52 18.525 -5.379 -0.953 1.00 15.54 C ATOM 0 H VAL A 52 19.781 -7.610 -0.939 1.00 61.42 H new ATOM 0 HA VAL A 52 18.394 -6.916 -3.333 1.00 52.44 H new ATOM 0 HB VAL A 52 20.469 -5.288 -1.817 1.00 5.40 H new ATOM 0 HG11 VAL A 52 19.178 -3.370 -2.660 1.00 22.02 H new ATOM 0 HG12 VAL A 52 19.816 -4.372 -3.986 1.00 22.02 H new ATOM 0 HG13 VAL A 52 18.099 -4.485 -3.532 1.00 22.02 H new ATOM 0 HG21 VAL A 52 18.599 -4.395 -0.489 1.00 15.54 H new ATOM 0 HG22 VAL A 52 17.497 -5.554 -1.270 1.00 15.54 H new ATOM 0 HG23 VAL A 52 18.818 -6.143 -0.233 1.00 15.54 H new ATOM 855 N SER A 53 21.533 -7.658 -3.508 1.00 63.01 N ATOM 856 CA SER A 53 22.669 -7.847 -4.403 1.00 74.44 C ATOM 857 C SER A 53 22.388 -8.959 -5.409 1.00 75.44 C ATOM 858 O SER A 53 23.238 -9.296 -6.233 1.00 62.14 O ATOM 859 CB SER A 53 23.929 -8.177 -3.601 1.00 13.22 C ATOM 860 OG SER A 53 24.251 -7.127 -2.705 1.00 25.53 O ATOM 0 H SER A 53 21.629 -8.116 -2.602 1.00 63.01 H new ATOM 0 HA SER A 53 22.828 -6.917 -4.949 1.00 74.44 H new ATOM 0 HB2 SER A 53 23.778 -9.102 -3.044 1.00 13.22 H new ATOM 0 HB3 SER A 53 24.763 -8.348 -4.282 1.00 13.22 H new ATOM 0 HG SER A 53 25.059 -7.362 -2.203 1.00 25.53 H new ATOM 866 N TYR A 54 21.188 -9.526 -5.335 1.00 43.14 N ATOM 867 CA TYR A 54 20.794 -10.602 -6.237 1.00 44.12 C ATOM 868 C TYR A 54 19.446 -10.303 -6.885 1.00 60.24 C ATOM 869 O TYR A 54 18.745 -11.210 -7.333 1.00 74.44 O ATOM 870 CB TYR A 54 20.726 -11.930 -5.481 1.00 44.12 C ATOM 871 CG TYR A 54 22.084 -12.515 -5.161 1.00 54.32 C ATOM 872 CD1 TYR A 54 22.963 -11.854 -4.312 1.00 64.52 C ATOM 873 CD2 TYR A 54 22.487 -13.726 -5.708 1.00 75.54 C ATOM 874 CE1 TYR A 54 24.205 -12.384 -4.017 1.00 73.44 C ATOM 875 CE2 TYR A 54 23.725 -14.265 -5.418 1.00 42.40 C ATOM 876 CZ TYR A 54 24.581 -13.590 -4.572 1.00 53.13 C ATOM 877 OH TYR A 54 25.816 -14.122 -4.282 1.00 1.02 O ATOM 0 H TYR A 54 20.472 -9.258 -4.660 1.00 43.14 H new ATOM 0 HA TYR A 54 21.546 -10.677 -7.023 1.00 44.12 H new ATOM 0 HB2 TYR A 54 20.175 -11.782 -4.552 1.00 44.12 H new ATOM 0 HB3 TYR A 54 20.161 -12.648 -6.075 1.00 44.12 H new ATOM 0 HD1 TYR A 54 22.671 -10.910 -3.875 1.00 64.52 H new ATOM 0 HD2 TYR A 54 21.820 -14.256 -6.372 1.00 75.54 H new ATOM 0 HE1 TYR A 54 24.877 -11.857 -3.356 1.00 73.44 H new ATOM 0 HE2 TYR A 54 24.021 -15.209 -5.851 1.00 42.40 H new ATOM 0 HH TYR A 54 25.923 -14.975 -4.752 1.00 1.02 H new ATOM 887 N VAL A 55 19.090 -9.023 -6.932 1.00 72.42 N ATOM 888 CA VAL A 55 17.827 -8.603 -7.527 1.00 11.41 C ATOM 889 C VAL A 55 17.931 -7.192 -8.097 1.00 34.43 C ATOM 890 O VAL A 55 18.645 -6.346 -7.559 1.00 52.23 O ATOM 891 CB VAL A 55 16.681 -8.646 -6.499 1.00 75.11 C ATOM 892 CG1 VAL A 55 16.430 -10.074 -6.038 1.00 43.11 C ATOM 893 CG2 VAL A 55 16.992 -7.742 -5.316 1.00 13.00 C ATOM 0 H VAL A 55 19.658 -8.259 -6.565 1.00 72.42 H new ATOM 0 HA VAL A 55 17.608 -9.303 -8.334 1.00 11.41 H new ATOM 0 HB VAL A 55 15.773 -8.279 -6.978 1.00 75.11 H new ATOM 0 HG11 VAL A 55 15.617 -10.084 -5.312 1.00 43.11 H new ATOM 0 HG12 VAL A 55 16.159 -10.691 -6.895 1.00 43.11 H new ATOM 0 HG13 VAL A 55 17.334 -10.471 -5.576 1.00 43.11 H new ATOM 0 HG21 VAL A 55 16.171 -7.785 -4.600 1.00 13.00 H new ATOM 0 HG22 VAL A 55 17.911 -8.076 -4.835 1.00 13.00 H new ATOM 0 HG23 VAL A 55 17.116 -6.717 -5.664 1.00 13.00 H new ATOM 903 N ARG A 56 17.213 -6.947 -9.188 1.00 12.31 N ATOM 904 CA ARG A 56 17.224 -5.639 -9.832 1.00 4.34 C ATOM 905 C ARG A 56 15.846 -4.988 -9.766 1.00 32.02 C ATOM 906 O ARG A 56 14.899 -5.451 -10.403 1.00 44.44 O ATOM 907 CB ARG A 56 17.670 -5.768 -11.289 1.00 40.03 C ATOM 908 CG ARG A 56 17.319 -4.560 -12.143 1.00 32.40 C ATOM 909 CD ARG A 56 18.226 -4.454 -13.358 1.00 65.54 C ATOM 910 NE ARG A 56 18.079 -5.599 -14.253 1.00 61.41 N ATOM 911 CZ ARG A 56 17.116 -5.702 -15.163 1.00 23.25 C ATOM 912 NH1 ARG A 56 16.221 -4.734 -15.297 1.00 52.21 N ATOM 913 NH2 ARG A 56 17.048 -6.775 -15.940 1.00 23.40 N ATOM 0 H ARG A 56 16.616 -7.637 -9.644 1.00 12.31 H new ATOM 0 HA ARG A 56 17.932 -5.005 -9.297 1.00 4.34 H new ATOM 0 HB2 ARG A 56 18.749 -5.921 -11.318 1.00 40.03 H new ATOM 0 HB3 ARG A 56 17.210 -6.656 -11.724 1.00 40.03 H new ATOM 0 HG2 ARG A 56 16.281 -4.632 -12.468 1.00 32.40 H new ATOM 0 HG3 ARG A 56 17.404 -3.653 -11.544 1.00 32.40 H new ATOM 0 HD2 ARG A 56 17.998 -3.537 -13.902 1.00 65.54 H new ATOM 0 HD3 ARG A 56 19.263 -4.381 -13.031 1.00 65.54 H new ATOM 0 HE ARG A 56 18.752 -6.361 -14.175 1.00 61.41 H new ATOM 0 HH11 ARG A 56 16.270 -3.908 -14.701 1.00 52.21 H new ATOM 0 HH12 ARG A 56 15.483 -4.815 -15.996 1.00 52.21 H new ATOM 0 HH21 ARG A 56 17.735 -7.522 -15.839 1.00 23.40 H new ATOM 0 HH22 ARG A 56 16.308 -6.853 -16.638 1.00 23.40 H new ATOM 927 N ILE A 57 15.741 -3.914 -8.991 1.00 13.13 N ATOM 928 CA ILE A 57 14.478 -3.200 -8.842 1.00 65.14 C ATOM 929 C ILE A 57 14.059 -2.547 -10.155 1.00 34.30 C ATOM 930 O ILE A 57 14.763 -1.688 -10.685 1.00 52.43 O ATOM 931 CB ILE A 57 14.568 -2.118 -7.750 1.00 25.42 C ATOM 932 CG1 ILE A 57 14.936 -2.750 -6.405 1.00 50.24 C ATOM 933 CG2 ILE A 57 13.253 -1.362 -7.644 1.00 12.11 C ATOM 934 CD1 ILE A 57 13.882 -3.696 -5.874 1.00 64.43 C ATOM 0 H ILE A 57 16.515 -3.519 -8.457 1.00 13.13 H new ATOM 0 HA ILE A 57 13.731 -3.938 -8.550 1.00 65.14 H new ATOM 0 HB ILE A 57 15.350 -1.410 -8.024 1.00 25.42 H new ATOM 0 HG12 ILE A 57 15.877 -3.290 -6.512 1.00 50.24 H new ATOM 0 HG13 ILE A 57 15.104 -1.959 -5.674 1.00 50.24 H new ATOM 0 HG21 ILE A 57 13.333 -0.601 -6.868 1.00 12.11 H new ATOM 0 HG22 ILE A 57 13.029 -0.885 -8.598 1.00 12.11 H new ATOM 0 HG23 ILE A 57 12.453 -2.057 -7.390 1.00 12.11 H new ATOM 0 HD11 ILE A 57 14.209 -4.106 -4.919 1.00 64.43 H new ATOM 0 HD12 ILE A 57 12.945 -3.156 -5.735 1.00 64.43 H new ATOM 0 HD13 ILE A 57 13.731 -4.508 -6.585 1.00 64.43 H new ATOM 946 N ILE A 58 12.907 -2.960 -10.673 1.00 34.14 N ATOM 947 CA ILE A 58 12.391 -2.413 -11.922 1.00 24.23 C ATOM 948 C ILE A 58 10.899 -2.117 -11.818 1.00 2.42 C ATOM 949 O ILE A 58 10.229 -2.568 -10.889 1.00 62.41 O ATOM 950 CB ILE A 58 12.631 -3.376 -13.099 1.00 62.33 C ATOM 951 CG1 ILE A 58 12.200 -4.795 -12.722 1.00 24.21 C ATOM 952 CG2 ILE A 58 14.095 -3.354 -13.512 1.00 42.44 C ATOM 953 CD1 ILE A 58 12.213 -5.760 -13.887 1.00 23.45 C ATOM 0 H ILE A 58 12.313 -3.672 -10.247 1.00 34.14 H new ATOM 0 HA ILE A 58 12.931 -1.484 -12.107 1.00 24.23 H new ATOM 0 HB ILE A 58 12.030 -3.047 -13.946 1.00 62.33 H new ATOM 0 HG12 ILE A 58 12.861 -5.172 -11.941 1.00 24.21 H new ATOM 0 HG13 ILE A 58 11.196 -4.761 -12.300 1.00 24.21 H new ATOM 0 HG21 ILE A 58 14.248 -4.040 -14.345 1.00 42.44 H new ATOM 0 HG22 ILE A 58 14.372 -2.345 -13.817 1.00 42.44 H new ATOM 0 HG23 ILE A 58 14.715 -3.661 -12.670 1.00 42.44 H new ATOM 0 HD11 ILE A 58 11.897 -6.746 -13.546 1.00 23.45 H new ATOM 0 HD12 ILE A 58 11.530 -5.407 -14.660 1.00 23.45 H new ATOM 0 HD13 ILE A 58 13.222 -5.824 -14.295 1.00 23.45 H new ATOM 965 N ASP A 59 10.385 -1.356 -12.778 1.00 32.11 N ATOM 966 CA ASP A 59 8.970 -1.001 -12.797 1.00 24.13 C ATOM 967 C ASP A 59 8.244 -1.723 -13.927 1.00 70.32 C ATOM 968 O ASP A 59 8.661 -1.664 -15.085 1.00 35.11 O ATOM 969 CB ASP A 59 8.804 0.511 -12.951 1.00 43.43 C ATOM 970 CG ASP A 59 7.380 0.906 -13.290 1.00 62.10 C ATOM 971 OD1 ASP A 59 6.447 0.247 -12.786 1.00 12.30 O ATOM 972 OD2 ASP A 59 7.199 1.873 -14.060 1.00 21.41 O ATOM 0 H ASP A 59 10.926 -0.973 -13.553 1.00 32.11 H new ATOM 0 HA ASP A 59 8.530 -1.312 -11.850 1.00 24.13 H new ATOM 0 HB2 ASP A 59 9.104 1.003 -12.025 1.00 43.43 H new ATOM 0 HB3 ASP A 59 9.473 0.869 -13.733 1.00 43.43 H new ATOM 977 N LEU A 60 7.157 -2.405 -13.584 1.00 71.32 N ATOM 978 CA LEU A 60 6.372 -3.141 -14.570 1.00 42.50 C ATOM 979 C LEU A 60 5.930 -2.225 -15.707 1.00 14.44 C ATOM 980 O LEU A 60 5.756 -2.667 -16.842 1.00 25.22 O ATOM 981 CB LEU A 60 5.149 -3.776 -13.906 1.00 62.14 C ATOM 982 CG LEU A 60 5.253 -5.270 -13.598 1.00 63.24 C ATOM 983 CD1 LEU A 60 3.984 -5.766 -12.924 1.00 13.12 C ATOM 984 CD2 LEU A 60 5.526 -6.059 -14.871 1.00 24.24 C ATOM 0 H LEU A 60 6.799 -2.464 -12.631 1.00 71.32 H new ATOM 0 HA LEU A 60 7.001 -3.928 -14.986 1.00 42.50 H new ATOM 0 HB2 LEU A 60 4.950 -3.246 -12.974 1.00 62.14 H new ATOM 0 HB3 LEU A 60 4.286 -3.618 -14.553 1.00 62.14 H new ATOM 0 HG LEU A 60 6.087 -5.423 -12.913 1.00 63.24 H new ATOM 0 HD11 LEU A 60 4.077 -6.831 -12.713 1.00 13.12 H new ATOM 0 HD12 LEU A 60 3.831 -5.223 -11.991 1.00 13.12 H new ATOM 0 HD13 LEU A 60 3.133 -5.600 -13.584 1.00 13.12 H new ATOM 0 HD21 LEU A 60 5.597 -7.120 -14.633 1.00 24.24 H new ATOM 0 HD22 LEU A 60 4.713 -5.899 -15.579 1.00 24.24 H new ATOM 0 HD23 LEU A 60 6.464 -5.723 -15.313 1.00 24.24 H new ATOM 996 N MET A 61 5.750 -0.946 -15.393 1.00 44.43 N ATOM 997 CA MET A 61 5.332 0.033 -16.390 1.00 15.43 C ATOM 998 C MET A 61 6.536 0.605 -17.130 1.00 44.31 C ATOM 999 O MET A 61 6.402 1.148 -18.227 1.00 64.21 O ATOM 1000 CB MET A 61 4.543 1.164 -15.725 1.00 71.43 C ATOM 1001 CG MET A 61 3.134 0.763 -15.317 1.00 5.50 C ATOM 1002 SD MET A 61 3.019 0.309 -13.576 1.00 13.31 S ATOM 1003 CE MET A 61 2.682 -1.445 -13.705 1.00 74.03 C ATOM 0 H MET A 61 5.887 -0.564 -14.457 1.00 44.43 H new ATOM 0 HA MET A 61 4.691 -0.473 -17.112 1.00 15.43 H new ATOM 0 HB2 MET A 61 5.085 1.504 -14.843 1.00 71.43 H new ATOM 0 HB3 MET A 61 4.487 2.009 -16.411 1.00 71.43 H new ATOM 0 HG2 MET A 61 2.452 1.589 -15.519 1.00 5.50 H new ATOM 0 HG3 MET A 61 2.807 -0.077 -15.930 1.00 5.50 H new ATOM 0 HE1 MET A 61 3.138 -1.966 -12.863 1.00 74.03 H new ATOM 0 HE2 MET A 61 1.605 -1.610 -13.693 1.00 74.03 H new ATOM 0 HE3 MET A 61 3.098 -1.828 -14.637 1.00 74.03 H new ATOM 1013 N ASP A 62 7.712 0.481 -16.523 1.00 75.44 N ATOM 1014 CA ASP A 62 8.940 0.985 -17.126 1.00 23.42 C ATOM 1015 C ASP A 62 10.164 0.337 -16.486 1.00 64.23 C ATOM 1016 O ASP A 62 10.802 0.900 -15.596 1.00 51.55 O ATOM 1017 CB ASP A 62 9.018 2.505 -16.981 1.00 2.21 C ATOM 1018 CG ASP A 62 9.744 3.161 -18.139 1.00 62.32 C ATOM 1019 OD1 ASP A 62 10.727 2.570 -18.633 1.00 41.23 O ATOM 1020 OD2 ASP A 62 9.330 4.265 -18.551 1.00 71.30 O ATOM 0 H ASP A 62 7.840 0.036 -15.614 1.00 75.44 H new ATOM 0 HA ASP A 62 8.927 0.729 -18.186 1.00 23.42 H new ATOM 0 HB2 ASP A 62 8.009 2.912 -16.911 1.00 2.21 H new ATOM 0 HB3 ASP A 62 9.527 2.752 -16.050 1.00 2.21 H new ATOM 1025 N PRO A 63 10.502 -0.877 -16.948 1.00 55.52 N ATOM 1026 CA PRO A 63 11.651 -1.628 -16.435 1.00 10.41 C ATOM 1027 C PRO A 63 12.981 -0.998 -16.835 1.00 53.15 C ATOM 1028 O PRO A 63 14.040 -1.408 -16.362 1.00 50.11 O ATOM 1029 CB PRO A 63 11.494 -3.004 -17.085 1.00 70.51 C ATOM 1030 CG PRO A 63 10.712 -2.750 -18.327 1.00 51.23 C ATOM 1031 CD PRO A 63 9.787 -1.608 -18.007 1.00 72.34 C ATOM 0 HA PRO A 63 11.666 -1.655 -15.345 1.00 10.41 H new ATOM 0 HB2 PRO A 63 12.464 -3.448 -17.312 1.00 70.51 H new ATOM 0 HB3 PRO A 63 10.973 -3.697 -16.424 1.00 70.51 H new ATOM 0 HG2 PRO A 63 11.371 -2.498 -19.158 1.00 51.23 H new ATOM 0 HG3 PRO A 63 10.150 -3.636 -18.623 1.00 51.23 H new ATOM 0 HD2 PRO A 63 9.608 -0.979 -18.879 1.00 72.34 H new ATOM 0 HD3 PRO A 63 8.815 -1.962 -17.665 1.00 72.34 H new ATOM 1039 N ALA A 64 12.918 0.001 -17.710 1.00 75.10 N ATOM 1040 CA ALA A 64 14.117 0.689 -18.172 1.00 33.30 C ATOM 1041 C ALA A 64 14.395 1.931 -17.333 1.00 13.14 C ATOM 1042 O ALA A 64 15.364 2.651 -17.572 1.00 65.11 O ATOM 1043 CB ALA A 64 13.979 1.062 -19.641 1.00 35.44 C ATOM 0 H ALA A 64 12.049 0.352 -18.113 1.00 75.10 H new ATOM 0 HA ALA A 64 14.962 0.010 -18.059 1.00 33.30 H new ATOM 0 HB1 ALA A 64 14.882 1.575 -19.972 1.00 35.44 H new ATOM 0 HB2 ALA A 64 13.837 0.159 -20.234 1.00 35.44 H new ATOM 0 HB3 ALA A 64 13.120 1.720 -19.770 1.00 35.44 H new ATOM 1049 N LYS A 65 13.537 2.178 -16.348 1.00 44.20 N ATOM 1050 CA LYS A 65 13.690 3.334 -15.472 1.00 21.42 C ATOM 1051 C LYS A 65 14.656 3.028 -14.331 1.00 74.42 C ATOM 1052 O LYS A 65 15.554 3.816 -14.038 1.00 4.15 O ATOM 1053 CB LYS A 65 12.332 3.753 -14.906 1.00 13.24 C ATOM 1054 CG LYS A 65 11.615 4.792 -15.750 1.00 44.54 C ATOM 1055 CD LYS A 65 11.205 5.998 -14.922 1.00 2.31 C ATOM 1056 CE LYS A 65 12.369 6.956 -14.716 1.00 63.55 C ATOM 1057 NZ LYS A 65 11.940 8.379 -14.808 1.00 30.52 N ATOM 0 H LYS A 65 12.729 1.593 -16.137 1.00 44.20 H new ATOM 0 HA LYS A 65 14.100 4.154 -16.062 1.00 21.42 H new ATOM 0 HB2 LYS A 65 11.698 2.871 -14.815 1.00 13.24 H new ATOM 0 HB3 LYS A 65 12.474 4.149 -13.900 1.00 13.24 H new ATOM 0 HG2 LYS A 65 12.265 5.113 -16.564 1.00 44.54 H new ATOM 0 HG3 LYS A 65 10.731 4.345 -16.205 1.00 44.54 H new ATOM 0 HD2 LYS A 65 10.387 6.520 -15.418 1.00 2.31 H new ATOM 0 HD3 LYS A 65 10.831 5.665 -13.954 1.00 2.31 H new ATOM 0 HE2 LYS A 65 12.820 6.775 -13.740 1.00 63.55 H new ATOM 0 HE3 LYS A 65 13.138 6.759 -15.463 1.00 63.55 H new ATOM 0 HZ1 LYS A 65 12.762 8.999 -14.662 1.00 30.52 H new ATOM 0 HZ2 LYS A 65 11.533 8.559 -15.748 1.00 30.52 H new ATOM 0 HZ3 LYS A 65 11.225 8.574 -14.078 1.00 30.52 H new ATOM 1071 N TYR A 66 14.465 1.878 -13.693 1.00 53.31 N ATOM 1072 CA TYR A 66 15.318 1.469 -12.584 1.00 62.11 C ATOM 1073 C TYR A 66 16.185 0.276 -12.975 1.00 74.42 C ATOM 1074 O TYR A 66 16.636 -0.485 -12.119 1.00 73.15 O ATOM 1075 CB TYR A 66 14.468 1.118 -11.362 1.00 25.43 C ATOM 1076 CG TYR A 66 13.716 2.297 -10.788 1.00 41.01 C ATOM 1077 CD1 TYR A 66 12.663 2.879 -11.483 1.00 60.24 C ATOM 1078 CD2 TYR A 66 14.059 2.830 -9.552 1.00 14.32 C ATOM 1079 CE1 TYR A 66 11.973 3.957 -10.964 1.00 0.03 C ATOM 1080 CE2 TYR A 66 13.373 3.907 -9.024 1.00 3.23 C ATOM 1081 CZ TYR A 66 12.332 4.467 -9.733 1.00 54.24 C ATOM 1082 OH TYR A 66 11.647 5.541 -9.211 1.00 64.05 O ATOM 0 H TYR A 66 13.727 1.213 -13.925 1.00 53.31 H new ATOM 0 HA TYR A 66 15.973 2.304 -12.335 1.00 62.11 H new ATOM 0 HB2 TYR A 66 13.754 0.342 -11.637 1.00 25.43 H new ATOM 0 HB3 TYR A 66 15.113 0.698 -10.590 1.00 25.43 H new ATOM 0 HD1 TYR A 66 12.379 2.481 -12.446 1.00 60.24 H new ATOM 0 HD2 TYR A 66 14.875 2.395 -8.994 1.00 14.32 H new ATOM 0 HE1 TYR A 66 11.158 4.398 -11.518 1.00 0.03 H new ATOM 0 HE2 TYR A 66 13.651 4.308 -8.061 1.00 3.23 H new ATOM 0 HH TYR A 66 12.024 5.776 -8.337 1.00 64.05 H new ATOM 1092 N ALA A 67 16.413 0.119 -14.275 1.00 40.30 N ATOM 1093 CA ALA A 67 17.227 -0.979 -14.781 1.00 41.20 C ATOM 1094 C ALA A 67 18.713 -0.692 -14.593 1.00 61.43 C ATOM 1095 O ALA A 67 19.536 -1.608 -14.594 1.00 2.45 O ATOM 1096 CB ALA A 67 16.918 -1.232 -16.249 1.00 72.21 C ATOM 0 H ALA A 67 16.045 0.739 -14.997 1.00 40.30 H new ATOM 0 HA ALA A 67 16.981 -1.874 -14.210 1.00 41.20 H new ATOM 0 HB1 ALA A 67 17.533 -2.055 -16.614 1.00 72.21 H new ATOM 0 HB2 ALA A 67 15.865 -1.490 -16.360 1.00 72.21 H new ATOM 0 HB3 ALA A 67 17.134 -0.333 -16.827 1.00 72.21 H new ATOM 1102 N SER A 68 19.050 0.584 -14.434 1.00 34.42 N ATOM 1103 CA SER A 68 20.438 0.991 -14.250 1.00 34.24 C ATOM 1104 C SER A 68 20.709 1.353 -12.793 1.00 32.35 C ATOM 1105 O SER A 68 21.854 1.573 -12.398 1.00 50.22 O ATOM 1106 CB SER A 68 20.766 2.181 -15.152 1.00 40.53 C ATOM 1107 OG SER A 68 19.942 3.294 -14.849 1.00 71.23 O ATOM 0 H SER A 68 18.381 1.354 -14.429 1.00 34.42 H new ATOM 0 HA SER A 68 21.077 0.151 -14.523 1.00 34.24 H new ATOM 0 HB2 SER A 68 21.814 2.456 -15.029 1.00 40.53 H new ATOM 0 HB3 SER A 68 20.631 1.898 -16.196 1.00 40.53 H new ATOM 0 HG SER A 68 20.173 4.042 -15.438 1.00 71.23 H new ATOM 1113 N VAL A 69 19.646 1.412 -11.996 1.00 51.14 N ATOM 1114 CA VAL A 69 19.768 1.746 -10.582 1.00 55.14 C ATOM 1115 C VAL A 69 20.816 0.874 -9.900 1.00 52.41 C ATOM 1116 O VAL A 69 21.141 -0.212 -10.378 1.00 70.52 O ATOM 1117 CB VAL A 69 18.423 1.582 -9.849 1.00 60.22 C ATOM 1118 CG1 VAL A 69 18.080 0.109 -9.686 1.00 23.14 C ATOM 1119 CG2 VAL A 69 18.464 2.281 -8.499 1.00 10.30 C ATOM 0 H VAL A 69 18.691 1.233 -12.306 1.00 51.14 H new ATOM 0 HA VAL A 69 20.078 2.790 -10.528 1.00 55.14 H new ATOM 0 HB VAL A 69 17.642 2.048 -10.450 1.00 60.22 H new ATOM 0 HG11 VAL A 69 17.127 0.013 -9.166 1.00 23.14 H new ATOM 0 HG12 VAL A 69 18.007 -0.358 -10.668 1.00 23.14 H new ATOM 0 HG13 VAL A 69 18.861 -0.384 -9.107 1.00 23.14 H new ATOM 0 HG21 VAL A 69 17.506 2.155 -7.995 1.00 10.30 H new ATOM 0 HG22 VAL A 69 19.255 1.846 -7.888 1.00 10.30 H new ATOM 0 HG23 VAL A 69 18.660 3.343 -8.645 1.00 10.30 H new ATOM 1129 N ASP A 70 21.341 1.358 -8.780 1.00 10.12 N ATOM 1130 CA ASP A 70 22.352 0.622 -8.030 1.00 2.44 C ATOM 1131 C ASP A 70 21.747 -0.015 -6.783 1.00 1.24 C ATOM 1132 O ASP A 70 21.841 0.533 -5.684 1.00 2.04 O ATOM 1133 CB ASP A 70 23.502 1.551 -7.636 1.00 41.02 C ATOM 1134 CG ASP A 70 24.217 2.130 -8.841 1.00 54.42 C ATOM 1135 OD1 ASP A 70 23.934 1.680 -9.971 1.00 23.00 O ATOM 1136 OD2 ASP A 70 25.059 3.034 -8.654 1.00 71.45 O ATOM 0 H ASP A 70 21.083 2.256 -8.371 1.00 10.12 H new ATOM 0 HA ASP A 70 22.738 -0.171 -8.670 1.00 2.44 H new ATOM 0 HB2 ASP A 70 23.114 2.364 -7.022 1.00 41.02 H new ATOM 0 HB3 ASP A 70 24.216 1.001 -7.023 1.00 41.02 H new ATOM 1141 N THR A 71 21.124 -1.176 -6.960 1.00 41.22 N ATOM 1142 CA THR A 71 20.501 -1.887 -5.851 1.00 5.43 C ATOM 1143 C THR A 71 21.495 -2.114 -4.717 1.00 14.23 C ATOM 1144 O THR A 71 21.172 -1.909 -3.546 1.00 63.41 O ATOM 1145 CB THR A 71 19.935 -3.246 -6.302 1.00 30.23 C ATOM 1146 OG1 THR A 71 20.597 -3.682 -7.494 1.00 44.42 O ATOM 1147 CG2 THR A 71 18.438 -3.152 -6.553 1.00 14.01 C ATOM 0 H THR A 71 21.038 -1.644 -7.862 1.00 41.22 H new ATOM 0 HA THR A 71 19.682 -1.262 -5.494 1.00 5.43 H new ATOM 0 HB THR A 71 20.109 -3.969 -5.505 1.00 30.23 H new ATOM 0 HG1 THR A 71 20.350 -4.611 -7.684 1.00 44.42 H new ATOM 0 HG21 THR A 71 18.061 -4.124 -6.871 1.00 14.01 H new ATOM 0 HG22 THR A 71 17.934 -2.849 -5.635 1.00 14.01 H new ATOM 0 HG23 THR A 71 18.245 -2.416 -7.333 1.00 14.01 H new ATOM 1155 N TYR A 72 22.703 -2.537 -5.071 1.00 11.32 N ATOM 1156 CA TYR A 72 23.743 -2.793 -4.082 1.00 22.22 C ATOM 1157 C TYR A 72 23.983 -1.563 -3.212 1.00 44.12 C ATOM 1158 O TYR A 72 24.165 -1.672 -1.999 1.00 44.15 O ATOM 1159 CB TYR A 72 25.044 -3.204 -4.774 1.00 31.32 C ATOM 1160 CG TYR A 72 26.233 -3.262 -3.842 1.00 63.11 C ATOM 1161 CD1 TYR A 72 26.293 -4.199 -2.818 1.00 21.13 C ATOM 1162 CD2 TYR A 72 27.297 -2.380 -3.985 1.00 53.44 C ATOM 1163 CE1 TYR A 72 27.377 -4.255 -1.964 1.00 24.45 C ATOM 1164 CE2 TYR A 72 28.386 -2.430 -3.137 1.00 13.41 C ATOM 1165 CZ TYR A 72 28.421 -3.369 -2.127 1.00 43.15 C ATOM 1166 OH TYR A 72 29.504 -3.421 -1.279 1.00 54.03 O ATOM 0 H TYR A 72 22.986 -2.710 -6.035 1.00 11.32 H new ATOM 0 HA TYR A 72 23.407 -3.608 -3.441 1.00 22.22 H new ATOM 0 HB2 TYR A 72 24.907 -4.182 -5.236 1.00 31.32 H new ATOM 0 HB3 TYR A 72 25.257 -2.499 -5.578 1.00 31.32 H new ATOM 0 HD1 TYR A 72 25.478 -4.896 -2.688 1.00 21.13 H new ATOM 0 HD2 TYR A 72 27.272 -1.642 -4.773 1.00 53.44 H new ATOM 0 HE1 TYR A 72 27.407 -4.989 -1.172 1.00 24.45 H new ATOM 0 HE2 TYR A 72 29.205 -1.738 -3.264 1.00 13.41 H new ATOM 0 HH TYR A 72 30.151 -2.729 -1.532 1.00 54.03 H new ATOM 1176 N ASP A 73 23.982 -0.393 -3.841 1.00 52.21 N ATOM 1177 CA ASP A 73 24.198 0.860 -3.126 1.00 73.23 C ATOM 1178 C ASP A 73 23.075 1.115 -2.126 1.00 13.02 C ATOM 1179 O ASP A 73 21.947 1.425 -2.510 1.00 12.33 O ATOM 1180 CB ASP A 73 24.293 2.025 -4.113 1.00 23.24 C ATOM 1181 CG ASP A 73 25.695 2.205 -4.661 1.00 41.23 C ATOM 1182 OD1 ASP A 73 26.450 1.211 -4.699 1.00 14.13 O ATOM 1183 OD2 ASP A 73 26.038 3.341 -5.052 1.00 71.14 O ATOM 0 H ASP A 73 23.834 -0.286 -4.844 1.00 52.21 H new ATOM 0 HA ASP A 73 25.137 0.780 -2.578 1.00 73.23 H new ATOM 0 HB2 ASP A 73 23.602 1.855 -4.939 1.00 23.24 H new ATOM 0 HB3 ASP A 73 23.979 2.944 -3.618 1.00 23.24 H new ATOM 1188 N ARG A 74 23.391 0.981 -0.842 1.00 40.20 N ATOM 1189 CA ARG A 74 22.408 1.195 0.213 1.00 21.13 C ATOM 1190 C ARG A 74 21.715 2.544 0.045 1.00 32.24 C ATOM 1191 O ARG A 74 20.560 2.711 0.437 1.00 43.43 O ATOM 1192 CB ARG A 74 23.079 1.122 1.586 1.00 34.54 C ATOM 1193 CG ARG A 74 23.906 2.350 1.927 1.00 42.24 C ATOM 1194 CD ARG A 74 25.184 2.406 1.104 1.00 1.22 C ATOM 1195 NE ARG A 74 25.925 1.149 1.158 1.00 61.22 N ATOM 1196 CZ ARG A 74 26.926 0.850 0.338 1.00 44.34 C ATOM 1197 NH1 ARG A 74 27.305 1.714 -0.594 1.00 54.51 N ATOM 1198 NH2 ARG A 74 27.552 -0.315 0.449 1.00 50.42 N ATOM 0 H ARG A 74 24.320 0.725 -0.507 1.00 40.20 H new ATOM 0 HA ARG A 74 21.657 0.409 0.140 1.00 21.13 H new ATOM 0 HB2 ARG A 74 22.312 0.988 2.349 1.00 34.54 H new ATOM 0 HB3 ARG A 74 23.721 0.242 1.621 1.00 34.54 H new ATOM 0 HG2 ARG A 74 23.316 3.249 1.747 1.00 42.24 H new ATOM 0 HG3 ARG A 74 24.155 2.339 2.988 1.00 42.24 H new ATOM 0 HD2 ARG A 74 24.938 2.638 0.068 1.00 1.22 H new ATOM 0 HD3 ARG A 74 25.816 3.215 1.470 1.00 1.22 H new ATOM 0 HE ARG A 74 25.659 0.463 1.864 1.00 61.22 H new ATOM 0 HH11 ARG A 74 26.827 2.611 -0.682 1.00 54.51 H new ATOM 0 HH12 ARG A 74 28.074 1.482 -1.222 1.00 54.51 H new ATOM 0 HH21 ARG A 74 27.264 -0.982 1.165 1.00 50.42 H new ATOM 0 HH22 ARG A 74 28.321 -0.543 -0.182 1.00 50.42 H new ATOM 1212 N GLU A 75 22.428 3.502 -0.538 1.00 63.44 N ATOM 1213 CA GLU A 75 21.881 4.836 -0.756 1.00 62.43 C ATOM 1214 C GLU A 75 20.745 4.798 -1.774 1.00 52.00 C ATOM 1215 O GLU A 75 19.628 5.230 -1.488 1.00 44.04 O ATOM 1216 CB GLU A 75 22.978 5.789 -1.235 1.00 61.12 C ATOM 1217 CG GLU A 75 23.646 6.562 -0.111 1.00 11.33 C ATOM 1218 CD GLU A 75 24.625 7.602 -0.619 1.00 41.54 C ATOM 1219 OE1 GLU A 75 24.189 8.736 -0.911 1.00 64.44 O ATOM 1220 OE2 GLU A 75 25.828 7.283 -0.725 1.00 73.40 O ATOM 0 H GLU A 75 23.385 3.379 -0.868 1.00 63.44 H new ATOM 0 HA GLU A 75 21.484 5.198 0.193 1.00 62.43 H new ATOM 0 HB2 GLU A 75 23.735 5.217 -1.772 1.00 61.12 H new ATOM 0 HB3 GLU A 75 22.549 6.496 -1.946 1.00 61.12 H new ATOM 0 HG2 GLU A 75 22.882 7.052 0.492 1.00 11.33 H new ATOM 0 HG3 GLU A 75 24.169 5.865 0.543 1.00 11.33 H new ATOM 1227 N GLN A 76 21.039 4.279 -2.962 1.00 11.12 N ATOM 1228 CA GLN A 76 20.043 4.186 -4.022 1.00 55.43 C ATOM 1229 C GLN A 76 18.849 3.348 -3.576 1.00 41.12 C ATOM 1230 O GLN A 76 17.705 3.799 -3.631 1.00 50.24 O ATOM 1231 CB GLN A 76 20.663 3.581 -5.283 1.00 2.53 C ATOM 1232 CG GLN A 76 21.861 4.359 -5.804 1.00 70.23 C ATOM 1233 CD GLN A 76 21.765 4.652 -7.288 1.00 52.45 C ATOM 1234 OE1 GLN A 76 20.679 4.899 -7.815 1.00 65.33 O ATOM 1235 NE2 GLN A 76 22.903 4.628 -7.972 1.00 20.20 N ATOM 0 H GLN A 76 21.959 3.917 -3.214 1.00 11.12 H new ATOM 0 HA GLN A 76 19.693 5.194 -4.246 1.00 55.43 H new ATOM 0 HB2 GLN A 76 20.969 2.556 -5.072 1.00 2.53 H new ATOM 0 HB3 GLN A 76 19.904 3.532 -6.064 1.00 2.53 H new ATOM 0 HG2 GLN A 76 21.946 5.298 -5.257 1.00 70.23 H new ATOM 0 HG3 GLN A 76 22.771 3.792 -5.607 1.00 70.23 H new ATOM 0 HE21 GLN A 76 23.780 4.419 -7.495 1.00 20.20 H new ATOM 0 HE22 GLN A 76 22.900 4.819 -8.974 1.00 20.20 H new ATOM 1244 N VAL A 77 19.124 2.125 -3.134 1.00 74.24 N ATOM 1245 CA VAL A 77 18.073 1.223 -2.678 1.00 14.10 C ATOM 1246 C VAL A 77 17.218 1.877 -1.598 1.00 51.23 C ATOM 1247 O VAL A 77 16.019 1.617 -1.499 1.00 24.43 O ATOM 1248 CB VAL A 77 18.660 -0.090 -2.127 1.00 52.01 C ATOM 1249 CG1 VAL A 77 19.235 0.125 -0.736 1.00 22.55 C ATOM 1250 CG2 VAL A 77 17.601 -1.182 -2.113 1.00 13.14 C ATOM 0 H VAL A 77 20.066 1.736 -3.082 1.00 74.24 H new ATOM 0 HA VAL A 77 17.451 0.999 -3.544 1.00 14.10 H new ATOM 0 HB VAL A 77 19.470 -0.410 -2.783 1.00 52.01 H new ATOM 0 HG11 VAL A 77 19.645 -0.813 -0.363 1.00 22.55 H new ATOM 0 HG12 VAL A 77 20.025 0.874 -0.781 1.00 22.55 H new ATOM 0 HG13 VAL A 77 18.447 0.469 -0.066 1.00 22.55 H new ATOM 0 HG21 VAL A 77 18.033 -2.103 -1.721 1.00 13.14 H new ATOM 0 HG22 VAL A 77 16.769 -0.874 -1.481 1.00 13.14 H new ATOM 0 HG23 VAL A 77 17.242 -1.353 -3.128 1.00 13.14 H new ATOM 1260 N MET A 78 17.843 2.729 -0.792 1.00 31.44 N ATOM 1261 CA MET A 78 17.139 3.422 0.281 1.00 54.13 C ATOM 1262 C MET A 78 16.128 4.414 -0.286 1.00 13.24 C ATOM 1263 O MET A 78 14.939 4.354 0.030 1.00 62.10 O ATOM 1264 CB MET A 78 18.134 4.151 1.186 1.00 73.32 C ATOM 1265 CG MET A 78 18.517 3.361 2.427 1.00 42.11 C ATOM 1266 SD MET A 78 19.582 4.295 3.543 1.00 64.25 S ATOM 1267 CE MET A 78 21.184 3.601 3.141 1.00 21.23 C ATOM 0 H MET A 78 18.835 2.956 -0.861 1.00 31.44 H new ATOM 0 HA MET A 78 16.602 2.678 0.870 1.00 54.13 H new ATOM 0 HB2 MET A 78 19.035 4.375 0.615 1.00 73.32 H new ATOM 0 HB3 MET A 78 17.704 5.105 1.491 1.00 73.32 H new ATOM 0 HG2 MET A 78 17.612 3.064 2.958 1.00 42.11 H new ATOM 0 HG3 MET A 78 19.026 2.445 2.127 1.00 42.11 H new ATOM 0 HE1 MET A 78 21.855 3.717 3.992 1.00 21.23 H new ATOM 0 HE2 MET A 78 21.074 2.542 2.908 1.00 21.23 H new ATOM 0 HE3 MET A 78 21.600 4.121 2.278 1.00 21.23 H new ATOM 1277 N LYS A 79 16.607 5.327 -1.123 1.00 41.34 N ATOM 1278 CA LYS A 79 15.746 6.332 -1.735 1.00 11.40 C ATOM 1279 C LYS A 79 14.575 5.677 -2.460 1.00 14.12 C ATOM 1280 O LYS A 79 13.456 6.191 -2.442 1.00 51.43 O ATOM 1281 CB LYS A 79 16.548 7.193 -2.714 1.00 13.54 C ATOM 1282 CG LYS A 79 17.726 7.906 -2.072 1.00 52.24 C ATOM 1283 CD LYS A 79 18.822 8.194 -3.085 1.00 32.21 C ATOM 1284 CE LYS A 79 19.955 8.998 -2.466 1.00 51.14 C ATOM 1285 NZ LYS A 79 20.702 9.781 -3.489 1.00 64.43 N ATOM 0 H LYS A 79 17.588 5.392 -1.394 1.00 41.34 H new ATOM 0 HA LYS A 79 15.351 6.967 -0.942 1.00 11.40 H new ATOM 0 HB2 LYS A 79 16.913 6.562 -3.524 1.00 13.54 H new ATOM 0 HB3 LYS A 79 15.885 7.934 -3.161 1.00 13.54 H new ATOM 0 HG2 LYS A 79 17.387 8.841 -1.625 1.00 52.24 H new ATOM 0 HG3 LYS A 79 18.127 7.294 -1.264 1.00 52.24 H new ATOM 0 HD2 LYS A 79 19.213 7.255 -3.477 1.00 32.21 H new ATOM 0 HD3 LYS A 79 18.404 8.742 -3.929 1.00 32.21 H new ATOM 0 HE2 LYS A 79 19.551 9.675 -1.714 1.00 51.14 H new ATOM 0 HE3 LYS A 79 20.641 8.324 -1.953 1.00 51.14 H new ATOM 0 HZ1 LYS A 79 21.466 10.315 -3.028 1.00 64.43 H new ATOM 0 HZ2 LYS A 79 21.109 9.133 -4.193 1.00 64.43 H new ATOM 0 HZ3 LYS A 79 20.053 10.443 -3.962 1.00 64.43 H new ATOM 1299 N ILE A 80 14.839 4.540 -3.094 1.00 51.14 N ATOM 1300 CA ILE A 80 13.806 3.814 -3.822 1.00 53.14 C ATOM 1301 C ILE A 80 12.742 3.272 -2.873 1.00 42.34 C ATOM 1302 O ILE A 80 11.552 3.544 -3.038 1.00 65.54 O ATOM 1303 CB ILE A 80 14.401 2.645 -4.629 1.00 42.23 C ATOM 1304 CG1 ILE A 80 15.438 3.163 -5.628 1.00 64.41 C ATOM 1305 CG2 ILE A 80 13.299 1.883 -5.349 1.00 70.31 C ATOM 1306 CD1 ILE A 80 16.485 2.135 -6.000 1.00 15.14 C ATOM 0 H ILE A 80 15.760 4.101 -3.118 1.00 51.14 H new ATOM 0 HA ILE A 80 13.348 4.524 -4.511 1.00 53.14 H new ATOM 0 HB ILE A 80 14.897 1.962 -3.939 1.00 42.23 H new ATOM 0 HG12 ILE A 80 14.926 3.492 -6.532 1.00 64.41 H new ATOM 0 HG13 ILE A 80 15.933 4.037 -5.205 1.00 64.41 H new ATOM 0 HG21 ILE A 80 13.736 1.060 -5.915 1.00 70.31 H new ATOM 0 HG22 ILE A 80 12.593 1.487 -4.619 1.00 70.31 H new ATOM 0 HG23 ILE A 80 12.777 2.555 -6.030 1.00 70.31 H new ATOM 0 HD11 ILE A 80 17.187 2.571 -6.711 1.00 15.14 H new ATOM 0 HD12 ILE A 80 17.023 1.823 -5.105 1.00 15.14 H new ATOM 0 HD13 ILE A 80 16.001 1.270 -6.452 1.00 15.14 H new ATOM 1318 N ILE A 81 13.179 2.507 -1.879 1.00 21.00 N ATOM 1319 CA ILE A 81 12.265 1.930 -0.902 1.00 32.45 C ATOM 1320 C ILE A 81 11.510 3.018 -0.145 1.00 70.43 C ATOM 1321 O ILE A 81 10.332 2.861 0.177 1.00 60.14 O ATOM 1322 CB ILE A 81 13.011 1.040 0.110 1.00 11.04 C ATOM 1323 CG1 ILE A 81 13.658 -0.149 -0.603 1.00 32.13 C ATOM 1324 CG2 ILE A 81 12.059 0.560 1.196 1.00 63.11 C ATOM 1325 CD1 ILE A 81 14.615 -0.930 0.271 1.00 52.33 C ATOM 0 H ILE A 81 14.160 2.272 -1.729 1.00 21.00 H new ATOM 0 HA ILE A 81 11.555 1.318 -1.458 1.00 32.45 H new ATOM 0 HB ILE A 81 13.798 1.630 0.579 1.00 11.04 H new ATOM 0 HG12 ILE A 81 12.875 -0.819 -0.959 1.00 32.13 H new ATOM 0 HG13 ILE A 81 14.193 0.212 -1.482 1.00 32.13 H new ATOM 0 HG21 ILE A 81 12.601 -0.068 1.903 1.00 63.11 H new ATOM 0 HG22 ILE A 81 11.641 1.420 1.720 1.00 63.11 H new ATOM 0 HG23 ILE A 81 11.252 -0.016 0.744 1.00 63.11 H new ATOM 0 HD11 ILE A 81 15.036 -1.758 -0.300 1.00 52.33 H new ATOM 0 HD12 ILE A 81 15.419 -0.275 0.606 1.00 52.33 H new ATOM 0 HD13 ILE A 81 14.081 -1.321 1.137 1.00 52.33 H new ATOM 1337 N ASP A 82 12.196 4.121 0.134 1.00 75.33 N ATOM 1338 CA ASP A 82 11.589 5.237 0.850 1.00 42.13 C ATOM 1339 C ASP A 82 10.571 5.957 -0.029 1.00 13.04 C ATOM 1340 O ASP A 82 9.458 6.250 0.408 1.00 4.43 O ATOM 1341 CB ASP A 82 12.667 6.219 1.313 1.00 55.24 C ATOM 1342 CG ASP A 82 12.156 7.186 2.363 1.00 71.10 C ATOM 1343 OD1 ASP A 82 12.093 6.796 3.548 1.00 52.00 O ATOM 1344 OD2 ASP A 82 11.820 8.332 2.000 1.00 3.52 O ATOM 0 H ASP A 82 13.172 4.266 -0.125 1.00 75.33 H new ATOM 0 HA ASP A 82 11.071 4.839 1.723 1.00 42.13 H new ATOM 0 HB2 ASP A 82 13.513 5.662 1.717 1.00 55.24 H new ATOM 0 HB3 ASP A 82 13.036 6.781 0.455 1.00 55.24 H new ATOM 1349 N GLU A 83 10.960 6.239 -1.268 1.00 11.20 N ATOM 1350 CA GLU A 83 10.081 6.927 -2.206 1.00 75.32 C ATOM 1351 C GLU A 83 8.855 6.075 -2.527 1.00 44.44 C ATOM 1352 O GLU A 83 7.725 6.562 -2.507 1.00 13.13 O ATOM 1353 CB GLU A 83 10.835 7.261 -3.495 1.00 13.41 C ATOM 1354 CG GLU A 83 11.745 8.471 -3.371 1.00 1.45 C ATOM 1355 CD GLU A 83 10.978 9.779 -3.355 1.00 42.53 C ATOM 1356 OE1 GLU A 83 10.409 10.147 -4.404 1.00 65.35 O ATOM 1357 OE2 GLU A 83 10.947 10.436 -2.293 1.00 71.31 O ATOM 0 H GLU A 83 11.877 6.002 -1.645 1.00 11.20 H new ATOM 0 HA GLU A 83 9.747 7.853 -1.739 1.00 75.32 H new ATOM 0 HB2 GLU A 83 11.431 6.398 -3.792 1.00 13.41 H new ATOM 0 HB3 GLU A 83 10.113 7.440 -4.292 1.00 13.41 H new ATOM 0 HG2 GLU A 83 12.332 8.387 -2.456 1.00 1.45 H new ATOM 0 HG3 GLU A 83 12.450 8.478 -4.203 1.00 1.45 H new ATOM 1364 N PHE A 84 9.089 4.801 -2.825 1.00 0.53 N ATOM 1365 CA PHE A 84 8.006 3.882 -3.152 1.00 73.21 C ATOM 1366 C PHE A 84 7.197 3.529 -1.907 1.00 63.41 C ATOM 1367 O PHE A 84 6.109 2.959 -2.000 1.00 4.55 O ATOM 1368 CB PHE A 84 8.565 2.608 -3.789 1.00 73.13 C ATOM 1369 CG PHE A 84 8.841 2.744 -5.259 1.00 51.53 C ATOM 1370 CD1 PHE A 84 9.872 3.552 -5.712 1.00 31.20 C ATOM 1371 CD2 PHE A 84 8.069 2.066 -6.189 1.00 20.14 C ATOM 1372 CE1 PHE A 84 10.129 3.679 -7.064 1.00 41.41 C ATOM 1373 CE2 PHE A 84 8.322 2.189 -7.542 1.00 13.22 C ATOM 1374 CZ PHE A 84 9.352 2.998 -7.980 1.00 61.11 C ATOM 0 H PHE A 84 10.019 4.382 -2.847 1.00 0.53 H new ATOM 0 HA PHE A 84 7.346 4.377 -3.864 1.00 73.21 H new ATOM 0 HB2 PHE A 84 9.487 2.331 -3.278 1.00 73.13 H new ATOM 0 HB3 PHE A 84 7.858 1.793 -3.634 1.00 73.13 H new ATOM 0 HD1 PHE A 84 10.482 4.089 -5.000 1.00 31.20 H new ATOM 0 HD2 PHE A 84 7.260 1.434 -5.852 1.00 20.14 H new ATOM 0 HE1 PHE A 84 10.937 4.310 -7.404 1.00 41.41 H new ATOM 0 HE2 PHE A 84 7.715 1.653 -8.256 1.00 13.22 H new ATOM 0 HZ PHE A 84 9.549 3.098 -9.037 1.00 61.11 H new ATOM 1384 N LYS A 85 7.737 3.870 -0.742 1.00 22.20 N ATOM 1385 CA LYS A 85 7.068 3.591 0.523 1.00 20.40 C ATOM 1386 C LYS A 85 6.811 2.096 0.684 1.00 22.34 C ATOM 1387 O LYS A 85 5.683 1.674 0.940 1.00 54.55 O ATOM 1388 CB LYS A 85 5.746 4.358 0.605 1.00 63.44 C ATOM 1389 CG LYS A 85 5.909 5.806 1.031 1.00 41.44 C ATOM 1390 CD LYS A 85 5.938 6.740 -0.168 1.00 12.23 C ATOM 1391 CE LYS A 85 5.147 8.012 0.098 1.00 72.14 C ATOM 1392 NZ LYS A 85 4.657 8.634 -1.164 1.00 31.32 N ATOM 0 H LYS A 85 8.637 4.341 -0.648 1.00 22.20 H new ATOM 0 HA LYS A 85 7.722 3.919 1.331 1.00 20.40 H new ATOM 0 HB2 LYS A 85 5.257 4.327 -0.369 1.00 63.44 H new ATOM 0 HB3 LYS A 85 5.086 3.853 1.310 1.00 63.44 H new ATOM 0 HG2 LYS A 85 5.089 6.086 1.692 1.00 41.44 H new ATOM 0 HG3 LYS A 85 6.831 5.917 1.602 1.00 41.44 H new ATOM 0 HD2 LYS A 85 6.970 6.995 -0.407 1.00 12.23 H new ATOM 0 HD3 LYS A 85 5.526 6.229 -1.039 1.00 12.23 H new ATOM 0 HE2 LYS A 85 4.299 7.784 0.744 1.00 72.14 H new ATOM 0 HE3 LYS A 85 5.774 8.724 0.635 1.00 72.14 H new ATOM 0 HZ1 LYS A 85 4.123 9.498 -0.941 1.00 31.32 H new ATOM 0 HZ2 LYS A 85 5.467 8.875 -1.770 1.00 31.32 H new ATOM 0 HZ3 LYS A 85 4.038 7.964 -1.664 1.00 31.32 H new ATOM 1406 N ILE A 86 7.865 1.300 0.535 1.00 34.45 N ATOM 1407 CA ILE A 86 7.752 -0.148 0.667 1.00 4.35 C ATOM 1408 C ILE A 86 7.832 -0.574 2.129 1.00 23.23 C ATOM 1409 O ILE A 86 8.703 -0.138 2.882 1.00 23.14 O ATOM 1410 CB ILE A 86 8.854 -0.873 -0.128 1.00 41.40 C ATOM 1411 CG1 ILE A 86 8.841 -0.419 -1.589 1.00 52.12 C ATOM 1412 CG2 ILE A 86 8.671 -2.380 -0.034 1.00 55.10 C ATOM 1413 CD1 ILE A 86 10.061 -0.857 -2.369 1.00 75.41 C ATOM 0 H ILE A 86 8.806 1.633 0.323 1.00 34.45 H new ATOM 0 HA ILE A 86 6.779 -0.427 0.262 1.00 4.35 H new ATOM 0 HB ILE A 86 9.821 -0.617 0.304 1.00 41.40 H new ATOM 0 HG12 ILE A 86 7.948 -0.812 -2.075 1.00 52.12 H new ATOM 0 HG13 ILE A 86 8.769 0.668 -1.623 1.00 52.12 H new ATOM 0 HG21 ILE A 86 9.457 -2.878 -0.601 1.00 55.10 H new ATOM 0 HG22 ILE A 86 8.725 -2.689 1.010 1.00 55.10 H new ATOM 0 HG23 ILE A 86 7.699 -2.655 -0.444 1.00 55.10 H new ATOM 0 HD11 ILE A 86 9.984 -0.500 -3.396 1.00 75.41 H new ATOM 0 HD12 ILE A 86 10.957 -0.442 -1.907 1.00 75.41 H new ATOM 0 HD13 ILE A 86 10.123 -1.945 -2.367 1.00 75.41 H new ATOM 1425 N PRO A 87 6.903 -1.449 2.542 1.00 22.10 N ATOM 1426 CA PRO A 87 6.848 -1.956 3.916 1.00 24.33 C ATOM 1427 C PRO A 87 8.011 -2.890 4.236 1.00 13.14 C ATOM 1428 O PRO A 87 8.691 -3.383 3.336 1.00 4.03 O ATOM 1429 CB PRO A 87 5.522 -2.719 3.960 1.00 30.03 C ATOM 1430 CG PRO A 87 5.265 -3.114 2.547 1.00 22.10 C ATOM 1431 CD PRO A 87 5.835 -2.011 1.699 1.00 71.14 C ATOM 0 HA PRO A 87 6.918 -1.153 4.650 1.00 24.33 H new ATOM 0 HB2 PRO A 87 5.589 -3.592 4.609 1.00 30.03 H new ATOM 0 HB3 PRO A 87 4.718 -2.094 4.349 1.00 30.03 H new ATOM 0 HG2 PRO A 87 5.739 -4.068 2.316 1.00 22.10 H new ATOM 0 HG3 PRO A 87 4.197 -3.235 2.364 1.00 22.10 H new ATOM 0 HD2 PRO A 87 6.226 -2.391 0.755 1.00 71.14 H new ATOM 0 HD3 PRO A 87 5.081 -1.263 1.453 1.00 71.14 H new ATOM 1439 N THR A 88 8.233 -3.130 5.525 1.00 64.11 N ATOM 1440 CA THR A 88 9.314 -4.004 5.964 1.00 71.22 C ATOM 1441 C THR A 88 8.798 -5.406 6.269 1.00 13.31 C ATOM 1442 O THR A 88 7.589 -5.634 6.329 1.00 4.24 O ATOM 1443 CB THR A 88 10.016 -3.444 7.215 1.00 23.31 C ATOM 1444 OG1 THR A 88 9.515 -2.137 7.515 1.00 72.02 O ATOM 1445 CG2 THR A 88 11.522 -3.380 7.007 1.00 31.13 C ATOM 0 H THR A 88 7.679 -2.731 6.283 1.00 64.11 H new ATOM 0 HA THR A 88 10.032 -4.054 5.146 1.00 71.22 H new ATOM 0 HB THR A 88 9.808 -4.112 8.051 1.00 23.31 H new ATOM 0 HG1 THR A 88 9.965 -1.789 8.313 1.00 72.02 H new ATOM 0 HG21 THR A 88 11.997 -2.981 7.904 1.00 31.13 H new ATOM 0 HG22 THR A 88 11.905 -4.381 6.808 1.00 31.13 H new ATOM 0 HG23 THR A 88 11.745 -2.732 6.160 1.00 31.13 H new ATOM 1453 N VAL A 89 9.721 -6.342 6.462 1.00 71.51 N ATOM 1454 CA VAL A 89 9.359 -7.722 6.763 1.00 33.30 C ATOM 1455 C VAL A 89 8.374 -7.791 7.925 1.00 2.10 C ATOM 1456 O VAL A 89 7.284 -8.347 7.795 1.00 24.33 O ATOM 1457 CB VAL A 89 10.600 -8.566 7.106 1.00 25.41 C ATOM 1458 CG1 VAL A 89 10.197 -9.989 7.465 1.00 42.44 C ATOM 1459 CG2 VAL A 89 11.586 -8.559 5.947 1.00 0.04 C ATOM 0 H VAL A 89 10.725 -6.170 6.415 1.00 71.51 H new ATOM 0 HA VAL A 89 8.889 -8.128 5.867 1.00 33.30 H new ATOM 0 HB VAL A 89 11.090 -8.123 7.973 1.00 25.41 H new ATOM 0 HG11 VAL A 89 11.088 -10.570 7.704 1.00 42.44 H new ATOM 0 HG12 VAL A 89 9.532 -9.972 8.328 1.00 42.44 H new ATOM 0 HG13 VAL A 89 9.682 -10.446 6.620 1.00 42.44 H new ATOM 0 HG21 VAL A 89 12.457 -9.160 6.207 1.00 0.04 H new ATOM 0 HG22 VAL A 89 11.108 -8.976 5.060 1.00 0.04 H new ATOM 0 HG23 VAL A 89 11.900 -7.535 5.742 1.00 0.04 H new ATOM 1469 N GLU A 90 8.766 -7.221 9.060 1.00 2.12 N ATOM 1470 CA GLU A 90 7.917 -7.218 10.246 1.00 63.12 C ATOM 1471 C GLU A 90 6.529 -6.676 9.919 1.00 12.44 C ATOM 1472 O GLU A 90 5.518 -7.309 10.220 1.00 32.43 O ATOM 1473 CB GLU A 90 8.556 -6.381 11.356 1.00 41.22 C ATOM 1474 CG GLU A 90 9.683 -7.094 12.084 1.00 12.13 C ATOM 1475 CD GLU A 90 10.128 -6.358 13.333 1.00 41.31 C ATOM 1476 OE1 GLU A 90 9.325 -6.266 14.285 1.00 21.31 O ATOM 1477 OE2 GLU A 90 11.279 -5.873 13.358 1.00 54.10 O ATOM 0 H GLU A 90 9.665 -6.756 9.183 1.00 2.12 H new ATOM 0 HA GLU A 90 7.814 -8.247 10.591 1.00 63.12 H new ATOM 0 HB2 GLU A 90 8.940 -5.456 10.926 1.00 41.22 H new ATOM 0 HB3 GLU A 90 7.788 -6.102 12.077 1.00 41.22 H new ATOM 0 HG2 GLU A 90 9.357 -8.098 12.355 1.00 12.13 H new ATOM 0 HG3 GLU A 90 10.533 -7.205 11.410 1.00 12.13 H new ATOM 1484 N GLN A 91 6.490 -5.499 9.303 1.00 13.30 N ATOM 1485 CA GLN A 91 5.226 -4.870 8.937 1.00 31.21 C ATOM 1486 C GLN A 91 4.398 -5.791 8.047 1.00 52.23 C ATOM 1487 O GLN A 91 3.186 -5.916 8.224 1.00 21.41 O ATOM 1488 CB GLN A 91 5.481 -3.543 8.221 1.00 13.43 C ATOM 1489 CG GLN A 91 6.475 -2.645 8.940 1.00 15.32 C ATOM 1490 CD GLN A 91 6.202 -2.547 10.428 1.00 2.33 C ATOM 1491 OE1 GLN A 91 5.057 -2.393 10.853 1.00 55.14 O ATOM 1492 NE2 GLN A 91 7.257 -2.636 11.231 1.00 54.45 N ATOM 0 H GLN A 91 7.318 -4.962 9.047 1.00 13.30 H new ATOM 0 HA GLN A 91 4.666 -4.679 9.852 1.00 31.21 H new ATOM 0 HB2 GLN A 91 5.850 -3.747 7.216 1.00 13.43 H new ATOM 0 HB3 GLN A 91 4.536 -3.011 8.112 1.00 13.43 H new ATOM 0 HG2 GLN A 91 7.484 -3.028 8.784 1.00 15.32 H new ATOM 0 HG3 GLN A 91 6.441 -1.648 8.502 1.00 15.32 H new ATOM 0 HE21 GLN A 91 8.189 -2.764 10.836 1.00 54.45 H new ATOM 0 HE22 GLN A 91 7.135 -2.577 12.242 1.00 54.45 H new ATOM 1501 N TRP A 92 5.059 -6.432 7.090 1.00 41.42 N ATOM 1502 CA TRP A 92 4.383 -7.341 6.171 1.00 3.21 C ATOM 1503 C TRP A 92 3.851 -8.564 6.909 1.00 23.31 C ATOM 1504 O TRP A 92 2.776 -9.073 6.593 1.00 34.44 O ATOM 1505 CB TRP A 92 5.338 -7.776 5.058 1.00 75.21 C ATOM 1506 CG TRP A 92 4.733 -8.770 4.113 1.00 64.23 C ATOM 1507 CD1 TRP A 92 3.619 -8.596 3.342 1.00 21.35 C ATOM 1508 CD2 TRP A 92 5.210 -10.092 3.840 1.00 72.42 C ATOM 1509 NE1 TRP A 92 3.374 -9.731 2.607 1.00 1.11 N ATOM 1510 CE2 TRP A 92 4.336 -10.663 2.893 1.00 1.04 C ATOM 1511 CE3 TRP A 92 6.290 -10.849 4.301 1.00 64.12 C ATOM 1512 CZ2 TRP A 92 4.511 -11.954 2.403 1.00 60.20 C ATOM 1513 CZ3 TRP A 92 6.462 -12.131 3.813 1.00 3.33 C ATOM 1514 CH2 TRP A 92 5.577 -12.673 2.872 1.00 42.42 C ATOM 0 H TRP A 92 6.062 -6.339 6.930 1.00 41.42 H new ATOM 0 HA TRP A 92 3.539 -6.811 5.729 1.00 3.21 H new ATOM 0 HB2 TRP A 92 5.655 -6.897 4.496 1.00 75.21 H new ATOM 0 HB3 TRP A 92 6.233 -8.208 5.505 1.00 75.21 H new ATOM 0 HD1 TRP A 92 3.019 -7.698 3.314 1.00 21.35 H new ATOM 0 HE1 TRP A 92 2.601 -9.859 1.954 1.00 1.11 H new ATOM 0 HE3 TRP A 92 6.978 -10.440 5.026 1.00 64.12 H new ATOM 0 HZ2 TRP A 92 3.829 -12.374 1.678 1.00 60.20 H new ATOM 0 HZ3 TRP A 92 7.293 -12.725 4.163 1.00 3.33 H new ATOM 0 HH2 TRP A 92 5.739 -13.677 2.510 1.00 42.42 H new ATOM 1525 N LYS A 93 4.611 -9.032 7.894 1.00 74.42 N ATOM 1526 CA LYS A 93 4.215 -10.196 8.679 1.00 42.14 C ATOM 1527 C LYS A 93 3.003 -9.879 9.548 1.00 33.13 C ATOM 1528 O LYS A 93 2.144 -10.734 9.768 1.00 42.20 O ATOM 1529 CB LYS A 93 5.378 -10.663 9.557 1.00 71.50 C ATOM 1530 CG LYS A 93 6.572 -11.169 8.767 1.00 43.05 C ATOM 1531 CD LYS A 93 6.396 -12.622 8.357 1.00 54.51 C ATOM 1532 CE LYS A 93 5.910 -12.740 6.920 1.00 20.44 C ATOM 1533 NZ LYS A 93 4.958 -13.872 6.749 1.00 74.23 N ATOM 0 H LYS A 93 5.505 -8.623 8.168 1.00 74.42 H new ATOM 0 HA LYS A 93 3.945 -10.995 7.988 1.00 42.14 H new ATOM 0 HB2 LYS A 93 5.697 -9.837 10.192 1.00 71.50 H new ATOM 0 HB3 LYS A 93 5.028 -11.456 10.218 1.00 71.50 H new ATOM 0 HG2 LYS A 93 6.708 -10.553 7.878 1.00 43.05 H new ATOM 0 HG3 LYS A 93 7.476 -11.067 9.367 1.00 43.05 H new ATOM 0 HD2 LYS A 93 7.344 -13.150 8.466 1.00 54.51 H new ATOM 0 HD3 LYS A 93 5.683 -13.106 9.024 1.00 54.51 H new ATOM 0 HE2 LYS A 93 5.426 -11.810 6.623 1.00 20.44 H new ATOM 0 HE3 LYS A 93 6.764 -12.880 6.258 1.00 20.44 H new ATOM 0 HZ1 LYS A 93 4.650 -13.919 5.757 1.00 74.23 H new ATOM 0 HZ2 LYS A 93 5.428 -14.763 7.009 1.00 74.23 H new ATOM 0 HZ3 LYS A 93 4.131 -13.725 7.362 1.00 74.23 H new ATOM 1547 N ASP A 94 2.938 -8.646 10.039 1.00 24.30 N ATOM 1548 CA ASP A 94 1.829 -8.216 10.883 1.00 63.14 C ATOM 1549 C ASP A 94 0.554 -8.050 10.061 1.00 24.43 C ATOM 1550 O ASP A 94 -0.503 -8.561 10.430 1.00 2.34 O ATOM 1551 CB ASP A 94 2.174 -6.901 11.583 1.00 11.03 C ATOM 1552 CG ASP A 94 1.350 -6.679 12.836 1.00 34.21 C ATOM 1553 OD1 ASP A 94 0.335 -7.386 13.011 1.00 2.12 O ATOM 1554 OD2 ASP A 94 1.718 -5.798 13.641 1.00 23.33 O ATOM 0 H ASP A 94 3.640 -7.927 9.867 1.00 24.30 H new ATOM 0 HA ASP A 94 1.657 -8.985 11.636 1.00 63.14 H new ATOM 0 HB2 ASP A 94 3.233 -6.898 11.842 1.00 11.03 H new ATOM 0 HB3 ASP A 94 2.012 -6.072 10.894 1.00 11.03 H new ATOM 1559 N GLN A 95 0.663 -7.333 8.948 1.00 60.24 N ATOM 1560 CA GLN A 95 -0.482 -7.099 8.076 1.00 70.13 C ATOM 1561 C GLN A 95 -1.025 -8.414 7.526 1.00 14.11 C ATOM 1562 O GLN A 95 -2.238 -8.603 7.425 1.00 71.54 O ATOM 1563 CB GLN A 95 -0.091 -6.173 6.923 1.00 62.45 C ATOM 1564 CG GLN A 95 0.984 -6.751 6.016 1.00 32.50 C ATOM 1565 CD GLN A 95 1.423 -5.780 4.939 1.00 44.43 C ATOM 1566 OE1 GLN A 95 2.309 -4.952 5.157 1.00 53.02 O ATOM 1567 NE2 GLN A 95 0.806 -5.875 3.767 1.00 33.11 N ATOM 0 H GLN A 95 1.532 -6.904 8.629 1.00 60.24 H new ATOM 0 HA GLN A 95 -1.265 -6.622 8.666 1.00 70.13 H new ATOM 0 HB2 GLN A 95 -0.977 -5.953 6.328 1.00 62.45 H new ATOM 0 HB3 GLN A 95 0.261 -5.226 7.332 1.00 62.45 H new ATOM 0 HG2 GLN A 95 1.847 -7.035 6.618 1.00 32.50 H new ATOM 0 HG3 GLN A 95 0.608 -7.661 5.548 1.00 32.50 H new ATOM 0 HE21 GLN A 95 0.077 -6.576 3.629 1.00 33.11 H new ATOM 0 HE22 GLN A 95 1.061 -5.247 3.004 1.00 33.11 H new ATOM 1576 N THR A 96 -0.120 -9.321 7.172 1.00 52.25 N ATOM 1577 CA THR A 96 -0.508 -10.617 6.631 1.00 73.24 C ATOM 1578 C THR A 96 -1.136 -11.496 7.706 1.00 33.13 C ATOM 1579 O THR A 96 -2.161 -12.138 7.476 1.00 30.51 O ATOM 1580 CB THR A 96 0.698 -11.355 6.020 1.00 21.44 C ATOM 1581 OG1 THR A 96 1.763 -11.427 6.975 1.00 33.04 O ATOM 1582 CG2 THR A 96 1.184 -10.650 4.763 1.00 24.42 C ATOM 0 H THR A 96 0.887 -9.181 7.250 1.00 52.25 H new ATOM 0 HA THR A 96 -1.242 -10.425 5.848 1.00 73.24 H new ATOM 0 HB THR A 96 0.382 -12.363 5.752 1.00 21.44 H new ATOM 0 HG1 THR A 96 2.169 -10.541 7.079 1.00 33.04 H new ATOM 0 HG21 THR A 96 2.036 -11.190 4.350 1.00 24.42 H new ATOM 0 HG22 THR A 96 0.380 -10.623 4.027 1.00 24.42 H new ATOM 0 HG23 THR A 96 1.484 -9.632 5.010 1.00 24.42 H new ATOM 1941 N PHE B -7 9.972 -15.198 8.822 1.00 75.11 N ATOM 1942 CA PHE B -7 11.133 -15.175 7.941 1.00 24.30 C ATOM 1943 C PHE B -7 12.386 -14.756 8.704 1.00 24.03 C ATOM 1944 O PHE B -7 13.244 -15.584 9.012 1.00 4.12 O ATOM 1945 CB PHE B -7 10.893 -14.221 6.769 1.00 10.15 C ATOM 1946 CG PHE B -7 9.993 -14.788 5.709 1.00 31.13 C ATOM 1947 CD1 PHE B -7 8.615 -14.706 5.835 1.00 24.40 C ATOM 1948 CD2 PHE B -7 10.524 -15.402 4.587 1.00 61.43 C ATOM 1949 CE1 PHE B -7 7.785 -15.228 4.861 1.00 30.22 C ATOM 1950 CE2 PHE B -7 9.699 -15.926 3.609 1.00 14.33 C ATOM 1951 CZ PHE B -7 8.327 -15.837 3.746 1.00 22.55 C ATOM 0 H1 PHE B -7 9.107 -15.063 8.260 1.00 75.11 H new ATOM 0 H2 PHE B -7 9.926 -16.114 9.312 1.00 75.11 H new ATOM 0 H3 PHE B -7 10.053 -14.434 9.523 1.00 75.11 H new ATOM 0 HA PHE B -7 11.284 -16.183 7.554 1.00 24.30 H new ATOM 0 HB2 PHE B -7 10.458 -13.296 7.147 1.00 10.15 H new ATOM 0 HB3 PHE B -7 11.852 -13.962 6.320 1.00 10.15 H new ATOM 0 HD1 PHE B -7 8.185 -14.229 6.704 1.00 24.40 H new ATOM 0 HD2 PHE B -7 11.596 -15.472 4.475 1.00 61.43 H new ATOM 0 HE1 PHE B -7 6.713 -15.160 4.972 1.00 30.22 H new ATOM 0 HE2 PHE B -7 10.126 -16.404 2.740 1.00 14.33 H new ATOM 0 HZ PHE B -7 7.680 -16.243 2.983 1.00 22.55 H new ATOM 1961 N ILE B -6 12.484 -13.466 9.005 1.00 4.43 N ATOM 1962 CA ILE B -6 13.631 -12.936 9.733 1.00 64.35 C ATOM 1963 C ILE B -6 14.941 -13.357 9.075 1.00 62.50 C ATOM 1964 O ILE B -6 15.601 -14.306 9.500 1.00 2.11 O ATOM 1965 CB ILE B -6 13.633 -13.405 11.200 1.00 52.33 C ATOM 1966 CG1 ILE B -6 12.235 -13.262 11.805 1.00 53.13 C ATOM 1967 CG2 ILE B -6 14.649 -12.612 12.008 1.00 41.22 C ATOM 1968 CD1 ILE B -6 11.679 -11.858 11.717 1.00 53.13 C ATOM 0 H ILE B -6 11.783 -12.768 8.756 1.00 4.43 H new ATOM 0 HA ILE B -6 13.546 -11.850 9.708 1.00 64.35 H new ATOM 0 HB ILE B -6 13.916 -14.457 11.230 1.00 52.33 H new ATOM 0 HG12 ILE B -6 11.556 -13.946 11.296 1.00 53.13 H new ATOM 0 HG13 ILE B -6 12.268 -13.566 12.851 1.00 53.13 H new ATOM 0 HG21 ILE B -6 14.639 -12.955 13.043 1.00 41.22 H new ATOM 0 HG22 ILE B -6 15.644 -12.759 11.587 1.00 41.22 H new ATOM 0 HG23 ILE B -6 14.394 -11.553 11.974 1.00 41.22 H new ATOM 0 HD11 ILE B -6 10.686 -11.831 12.165 1.00 53.13 H new ATOM 0 HD12 ILE B -6 12.337 -11.172 12.251 1.00 53.13 H new ATOM 0 HD13 ILE B -6 11.613 -11.557 10.671 1.00 53.13 H new ATOM 1980 N PRO B -5 15.329 -12.635 8.013 1.00 22.52 N ATOM 1981 CA PRO B -5 16.565 -12.914 7.275 1.00 12.03 C ATOM 1982 C PRO B -5 17.812 -12.575 8.085 1.00 61.54 C ATOM 1983 O PRO B -5 18.407 -11.512 7.911 1.00 52.25 O ATOM 1984 CB PRO B -5 16.459 -12.003 6.050 1.00 60.13 C ATOM 1985 CG PRO B -5 15.570 -10.888 6.482 1.00 70.52 C ATOM 1986 CD PRO B -5 14.592 -11.491 7.452 1.00 73.33 C ATOM 0 HA PRO B -5 16.664 -13.971 7.030 1.00 12.03 H new ATOM 0 HB2 PRO B -5 17.438 -11.633 5.746 1.00 60.13 H new ATOM 0 HB3 PRO B -5 16.040 -12.535 5.196 1.00 60.13 H new ATOM 0 HG2 PRO B -5 16.145 -10.090 6.952 1.00 70.52 H new ATOM 0 HG3 PRO B -5 15.053 -10.448 5.629 1.00 70.52 H new ATOM 0 HD2 PRO B -5 14.304 -10.780 8.226 1.00 73.33 H new ATOM 0 HD3 PRO B -5 13.676 -11.808 6.954 1.00 73.33 H new ATOM 1994 N SER B -4 18.203 -13.487 8.969 1.00 24.03 N ATOM 1995 CA SER B -4 19.379 -13.283 9.808 1.00 72.10 C ATOM 1996 C SER B -4 20.600 -13.976 9.210 1.00 15.02 C ATOM 1997 O SER B -4 21.432 -14.523 9.933 1.00 23.22 O ATOM 1998 CB SER B -4 19.121 -13.809 11.221 1.00 35.31 C ATOM 1999 OG SER B -4 20.035 -13.251 12.148 1.00 2.13 O ATOM 0 H SER B -4 17.723 -14.374 9.123 1.00 24.03 H new ATOM 0 HA SER B -4 19.578 -12.213 9.857 1.00 72.10 H new ATOM 0 HB2 SER B -4 18.101 -13.568 11.521 1.00 35.31 H new ATOM 0 HB3 SER B -4 19.208 -14.896 11.229 1.00 35.31 H new ATOM 0 HG SER B -4 20.952 -13.429 11.851 1.00 2.13 H new ATOM 2005 N ARG B -3 20.698 -13.948 7.885 1.00 2.02 N ATOM 2006 CA ARG B -3 21.816 -14.574 7.189 1.00 53.01 C ATOM 2007 C ARG B -3 22.881 -13.541 6.831 1.00 35.31 C ATOM 2008 O ARG B -3 22.625 -12.338 6.792 1.00 54.45 O ATOM 2009 CB ARG B -3 21.325 -15.277 5.922 1.00 44.34 C ATOM 2010 CG ARG B -3 19.855 -15.660 5.967 1.00 2.45 C ATOM 2011 CD ARG B -3 19.571 -16.646 7.089 1.00 22.14 C ATOM 2012 NE ARG B -3 20.548 -17.731 7.124 1.00 31.33 N ATOM 2013 CZ ARG B -3 20.741 -18.512 8.181 1.00 24.13 C ATOM 2014 NH1 ARG B -3 20.029 -18.329 9.284 1.00 12.03 N ATOM 2015 NH2 ARG B -3 21.649 -19.479 8.136 1.00 1.02 N ATOM 0 H ARG B -3 20.017 -13.499 7.272 1.00 2.02 H new ATOM 0 HA ARG B -3 22.261 -15.312 7.857 1.00 53.01 H new ATOM 0 HB2 ARG B -3 21.495 -14.624 5.066 1.00 44.34 H new ATOM 0 HB3 ARG B -3 21.921 -16.176 5.761 1.00 44.34 H new ATOM 0 HG2 ARG B -3 19.249 -14.765 6.105 1.00 2.45 H new ATOM 0 HG3 ARG B -3 19.563 -16.099 5.013 1.00 2.45 H new ATOM 0 HD2 ARG B -3 19.578 -16.121 8.044 1.00 22.14 H new ATOM 0 HD3 ARG B -3 18.572 -17.062 6.962 1.00 22.14 H new ATOM 0 HE ARG B -3 21.113 -17.898 6.291 1.00 31.33 H new ATOM 0 HH11 ARG B -3 19.330 -17.587 9.323 1.00 12.03 H new ATOM 0 HH12 ARG B -3 20.180 -18.930 10.094 1.00 12.03 H new ATOM 0 HH21 ARG B -3 22.199 -19.623 7.289 1.00 1.02 H new ATOM 0 HH22 ARG B -3 21.797 -20.078 8.948 1.00 1.02 H new ATOM 2029 N PRO B -2 24.104 -14.021 6.565 1.00 45.13 N ATOM 2030 CA PRO B -2 25.233 -13.156 6.206 1.00 74.44 C ATOM 2031 C PRO B -2 25.069 -12.534 4.823 1.00 12.34 C ATOM 2032 O PRO B -2 25.338 -13.174 3.808 1.00 71.52 O ATOM 2033 CB PRO B -2 26.430 -14.110 6.224 1.00 0.21 C ATOM 2034 CG PRO B -2 25.847 -15.456 5.963 1.00 13.43 C ATOM 2035 CD PRO B -2 24.481 -15.444 6.593 1.00 62.21 C ATOM 0 HA PRO B -2 25.333 -12.312 6.888 1.00 74.44 H new ATOM 0 HB2 PRO B -2 27.162 -13.841 5.462 1.00 0.21 H new ATOM 0 HB3 PRO B -2 26.945 -14.081 7.184 1.00 0.21 H new ATOM 0 HG2 PRO B -2 25.782 -15.652 4.893 1.00 13.43 H new ATOM 0 HG3 PRO B -2 26.469 -16.241 6.394 1.00 13.43 H new ATOM 0 HD2 PRO B -2 23.775 -16.058 6.033 1.00 62.21 H new ATOM 0 HD3 PRO B -2 24.505 -15.833 7.611 1.00 62.21 H new ATOM 2043 N ALA B -1 24.626 -11.281 4.792 1.00 21.05 N ATOM 2044 CA ALA B -1 24.429 -10.571 3.535 1.00 61.33 C ATOM 2045 C ALA B -1 25.673 -10.654 2.657 1.00 43.11 C ATOM 2046 O ALA B -1 26.704 -10.043 2.941 1.00 62.44 O ATOM 2047 CB ALA B -1 24.064 -9.118 3.800 1.00 34.31 C ATOM 0 H ALA B -1 24.397 -10.737 5.624 1.00 21.05 H new ATOM 0 HA ALA B -1 23.607 -11.049 3.002 1.00 61.33 H new ATOM 0 HB1 ALA B -1 23.920 -8.600 2.852 1.00 34.31 H new ATOM 0 HB2 ALA B -1 23.143 -9.074 4.381 1.00 34.31 H new ATOM 0 HB3 ALA B -1 24.868 -8.637 4.358 1.00 34.31 H new ATOM 2053 N PRO B 0 25.578 -11.427 1.565 1.00 11.00 N ATOM 2054 CA PRO B 0 26.687 -11.608 0.624 1.00 41.33 C ATOM 2055 C PRO B 0 26.980 -10.343 -0.177 1.00 74.51 C ATOM 2056 O PRO B 0 26.100 -9.505 -0.378 1.00 21.44 O ATOM 2057 CB PRO B 0 26.190 -12.723 -0.300 1.00 3.21 C ATOM 2058 CG PRO B 0 24.705 -12.638 -0.231 1.00 54.33 C ATOM 2059 CD PRO B 0 24.380 -12.184 1.165 1.00 52.20 C ATOM 0 HA PRO B 0 27.621 -11.844 1.135 1.00 41.33 H new ATOM 0 HB2 PRO B 0 26.548 -12.581 -1.320 1.00 3.21 H new ATOM 0 HB3 PRO B 0 26.546 -13.699 0.030 1.00 3.21 H new ATOM 0 HG2 PRO B 0 24.320 -11.935 -0.969 1.00 54.33 H new ATOM 0 HG3 PRO B 0 24.249 -13.605 -0.443 1.00 54.33 H new ATOM 0 HD2 PRO B 0 23.485 -11.562 1.187 1.00 52.20 H new ATOM 0 HD3 PRO B 0 24.197 -13.028 1.830 1.00 52.20 H new ATOM 2067 N LYS B 1 28.220 -10.212 -0.634 1.00 4.33 N ATOM 2068 CA LYS B 1 28.630 -9.050 -1.415 1.00 34.53 C ATOM 2069 C LYS B 1 28.636 -9.372 -2.906 1.00 22.53 C ATOM 2070 O LYS B 1 28.676 -10.533 -3.314 1.00 73.24 O ATOM 2071 CB LYS B 1 30.019 -8.580 -0.978 1.00 14.24 C ATOM 2072 CG LYS B 1 29.987 -7.433 0.018 1.00 52.12 C ATOM 2073 CD LYS B 1 31.379 -7.094 0.522 1.00 4.51 C ATOM 2074 CE LYS B 1 32.151 -6.261 -0.490 1.00 0.50 C ATOM 2075 NZ LYS B 1 31.821 -4.812 -0.383 1.00 60.31 N ATOM 0 H LYS B 1 28.960 -10.896 -0.477 1.00 4.33 H new ATOM 0 HA LYS B 1 27.910 -8.251 -1.236 1.00 34.53 H new ATOM 0 HB2 LYS B 1 30.555 -9.420 -0.536 1.00 14.24 H new ATOM 0 HB3 LYS B 1 30.582 -8.270 -1.858 1.00 14.24 H new ATOM 0 HG2 LYS B 1 29.545 -6.554 -0.452 1.00 52.12 H new ATOM 0 HG3 LYS B 1 29.349 -7.699 0.861 1.00 52.12 H new ATOM 0 HD2 LYS B 1 31.304 -6.548 1.462 1.00 4.51 H new ATOM 0 HD3 LYS B 1 31.926 -8.014 0.730 1.00 4.51 H new ATOM 0 HE2 LYS B 1 33.221 -6.402 -0.336 1.00 0.50 H new ATOM 0 HE3 LYS B 1 31.925 -6.612 -1.497 1.00 0.50 H new ATOM 0 HZ1 LYS B 1 32.543 -4.254 -0.882 1.00 60.31 H new ATOM 0 HZ2 LYS B 1 30.890 -4.635 -0.811 1.00 60.31 H new ATOM 0 HZ3 LYS B 1 31.799 -4.534 0.619 1.00 60.31 H new ATOM 2089 N PRO B 2 28.598 -8.322 -3.739 1.00 22.10 N ATOM 2090 CA PRO B 2 28.601 -8.468 -5.198 1.00 21.44 C ATOM 2091 C PRO B 2 29.942 -8.965 -5.728 1.00 32.13 C ATOM 2092 O PRO B 2 30.946 -8.993 -5.016 1.00 62.12 O ATOM 2093 CB PRO B 2 28.321 -7.049 -5.697 1.00 5.30 C ATOM 2094 CG PRO B 2 28.799 -6.160 -4.601 1.00 23.55 C ATOM 2095 CD PRO B 2 28.550 -6.911 -3.321 1.00 41.25 C ATOM 0 HA PRO B 2 27.872 -9.204 -5.536 1.00 21.44 H new ATOM 0 HB2 PRO B 2 28.848 -6.846 -6.629 1.00 5.30 H new ATOM 0 HB3 PRO B 2 27.259 -6.901 -5.892 1.00 5.30 H new ATOM 0 HG2 PRO B 2 29.858 -5.930 -4.719 1.00 23.55 H new ATOM 0 HG3 PRO B 2 28.264 -5.210 -4.607 1.00 23.55 H new ATOM 0 HD2 PRO B 2 29.308 -6.688 -2.570 1.00 41.25 H new ATOM 0 HD3 PRO B 2 27.585 -6.654 -2.885 1.00 41.25 H new ATOM 2103 N PRO B 3 29.961 -9.367 -7.007 1.00 50.34 N ATOM 2104 CA PRO B 3 31.173 -9.869 -7.661 1.00 40.14 C ATOM 2105 C PRO B 3 32.207 -8.771 -7.888 1.00 54.01 C ATOM 2106 O PRO B 3 33.400 -8.974 -7.666 1.00 43.41 O ATOM 2107 CB PRO B 3 30.658 -10.403 -9.000 1.00 62.32 C ATOM 2108 CG PRO B 3 29.411 -9.631 -9.262 1.00 22.41 C ATOM 2109 CD PRO B 3 28.801 -9.361 -7.914 1.00 40.05 C ATOM 0 HA PRO B 3 31.683 -10.618 -7.055 1.00 40.14 H new ATOM 0 HB2 PRO B 3 31.390 -10.254 -9.794 1.00 62.32 H new ATOM 0 HB3 PRO B 3 30.458 -11.473 -8.949 1.00 62.32 H new ATOM 0 HG2 PRO B 3 29.631 -8.700 -9.785 1.00 22.41 H new ATOM 0 HG3 PRO B 3 28.727 -10.197 -9.894 1.00 22.41 H new ATOM 0 HD2 PRO B 3 28.280 -8.404 -7.893 1.00 40.05 H new ATOM 0 HD3 PRO B 3 28.074 -10.126 -7.641 1.00 40.05 H new