USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 550 hydrogens (5 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 34 GLN : amide:sc= 1.08 K(o=2.2,f=-7.2!) USER MOD Set 1.2: A 50 LYS NZ :NH3+ 163:sc= 1.14 (180deg=-0.266) USER MOD Single : A 1 MET CE :methyl -171:sc= -0.279 (180deg=-0.492) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0445 (180deg=0.00595) USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= 0.0113 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.528 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -139:sc= -0.0545 (180deg=-1.26) USER MOD Single : A 29 ASN : amide:sc= -0.269 K(o=-0.27,f=-4.1!) USER MOD Single : A 32 CYS SG : rot -39:sc= 0.124 USER MOD Single : A 35 ASN : amide:sc= -0.451 X(o=-0.45,f=-0.85) USER MOD Single : A 37 TYR OH : rot -111:sc= 0.784 USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= 0.542 (180deg=0.43) USER MOD Single : A 42 ASN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.63 K(o=-1.6,f=-3.9!) USER MOD Single : A 52 TYR OH : rot -15:sc= 1.23 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.772 3.310 4.166 1.00 0.00 N ATOM 2 CA MET A 1 7.665 1.870 4.015 1.00 0.00 C ATOM 3 C MET A 1 7.398 1.564 2.531 1.00 0.00 C ATOM 4 O MET A 1 6.685 2.290 1.842 1.00 0.00 O ATOM 5 CB MET A 1 6.509 1.369 4.901 1.00 0.00 C ATOM 6 CG MET A 1 6.182 -0.123 4.689 1.00 0.00 C ATOM 7 SD MET A 1 4.744 -0.761 5.583 1.00 0.00 S ATOM 8 CE MET A 1 4.734 0.253 7.071 1.00 0.00 C ATOM 0 H1 MET A 1 7.211 3.616 4.987 1.00 0.00 H new ATOM 0 H2 MET A 1 8.768 3.571 4.311 1.00 0.00 H new ATOM 0 H3 MET A 1 7.413 3.777 3.309 1.00 0.00 H new ATOM 0 HA MET A 1 8.581 1.366 4.322 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.765 1.533 5.948 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.618 1.962 4.694 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.025 -0.291 3.624 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.054 -0.709 4.979 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.001 -0.141 7.775 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.723 0.237 7.529 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.472 1.278 6.811 1.00 0.00 H new ATOM 18 N GLU A 2 8.028 0.442 2.114 1.00 0.00 N ATOM 19 CA GLU A 2 7.901 -0.049 0.753 1.00 0.00 C ATOM 20 C GLU A 2 6.673 -0.971 0.681 1.00 0.00 C ATOM 21 O GLU A 2 6.557 -1.953 1.404 1.00 0.00 O ATOM 22 CB GLU A 2 9.184 -0.803 0.387 1.00 0.00 C ATOM 23 CG GLU A 2 9.105 -1.563 -0.949 1.00 0.00 C ATOM 24 CD GLU A 2 10.484 -2.130 -1.338 1.00 0.00 C ATOM 25 OE1 GLU A 2 10.869 -3.177 -0.816 1.00 0.00 O ATOM 26 OE2 GLU A 2 11.162 -1.521 -2.161 1.00 0.00 O ATOM 0 H GLU A 2 8.625 -0.129 2.712 1.00 0.00 H new ATOM 0 HA GLU A 2 7.764 0.769 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.010 -0.093 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.417 -1.511 1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.382 -2.375 -0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.747 -0.895 -1.732 1.00 0.00 H new ATOM 33 N ALA A 3 5.764 -0.551 -0.220 1.00 0.00 N ATOM 34 CA ALA A 3 4.517 -1.238 -0.506 1.00 0.00 C ATOM 35 C ALA A 3 4.573 -1.824 -1.922 1.00 0.00 C ATOM 36 O ALA A 3 5.194 -1.269 -2.822 1.00 0.00 O ATOM 37 CB ALA A 3 3.407 -0.216 -0.362 1.00 0.00 C ATOM 0 H ALA A 3 5.891 0.295 -0.775 1.00 0.00 H new ATOM 0 HA ALA A 3 4.340 -2.068 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.447 -0.690 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.405 0.179 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.569 0.599 -1.068 1.00 0.00 H new ATOM 43 N ILE A 4 3.875 -2.974 -2.048 1.00 0.00 N ATOM 44 CA ILE A 4 3.856 -3.704 -3.308 1.00 0.00 C ATOM 45 C ILE A 4 2.481 -4.367 -3.499 1.00 0.00 C ATOM 46 O ILE A 4 2.136 -5.319 -2.810 1.00 0.00 O ATOM 47 CB ILE A 4 4.938 -4.809 -3.236 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.354 -4.238 -2.979 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.936 -5.698 -4.496 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.461 -5.294 -2.891 1.00 0.00 C ATOM 0 H ILE A 4 3.330 -3.401 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 4 4.048 -3.025 -4.139 1.00 0.00 H new ATOM 0 HB ILE A 4 4.675 -5.430 -2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.600 -3.538 -3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.339 -3.668 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.710 -6.460 -4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.963 -6.179 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.133 -5.084 -5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.418 -4.804 -2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.244 -5.981 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.510 -5.849 -3.828 1.00 0.00 H new ATOM 62 N ALA A 5 1.731 -3.810 -4.470 1.00 0.00 N ATOM 63 CA ALA A 5 0.420 -4.343 -4.814 1.00 0.00 C ATOM 64 C ALA A 5 0.588 -5.741 -5.447 1.00 0.00 C ATOM 65 O ALA A 5 1.230 -5.898 -6.478 1.00 0.00 O ATOM 66 CB ALA A 5 -0.224 -3.416 -5.842 1.00 0.00 C ATOM 0 H ALA A 5 2.016 -2.999 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.200 -4.414 -3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.208 -3.800 -6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.328 -2.418 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.403 -3.368 -6.732 1.00 0.00 H new ATOM 72 N LYS A 6 -0.031 -6.731 -4.781 1.00 0.00 N ATOM 73 CA LYS A 6 0.026 -8.116 -5.252 1.00 0.00 C ATOM 74 C LYS A 6 -1.112 -8.446 -6.220 1.00 0.00 C ATOM 75 O LYS A 6 -1.041 -9.401 -6.985 1.00 0.00 O ATOM 76 CB LYS A 6 -0.094 -9.040 -4.047 1.00 0.00 C ATOM 77 CG LYS A 6 1.132 -8.912 -3.155 1.00 0.00 C ATOM 78 CD LYS A 6 1.585 -10.254 -2.581 1.00 0.00 C ATOM 79 CE LYS A 6 0.848 -10.656 -1.298 1.00 0.00 C ATOM 80 NZ LYS A 6 1.593 -11.681 -0.573 1.00 0.00 N ATOM 0 H LYS A 6 -0.569 -6.596 -3.925 1.00 0.00 H new ATOM 0 HA LYS A 6 0.971 -8.252 -5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.991 -8.793 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.202 -10.072 -4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.949 -8.472 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.911 -8.227 -2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.437 -11.029 -3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.655 -10.209 -2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.711 -9.781 -0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.146 -11.029 -1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.307 -11.676 0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.392 -12.614 -0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.612 -11.484 -0.642 1.00 0.00 H new ATOM 94 N TYR A 7 -2.150 -7.594 -6.130 1.00 0.00 N ATOM 95 CA TYR A 7 -3.331 -7.786 -6.965 1.00 0.00 C ATOM 96 C TYR A 7 -3.850 -6.438 -7.464 1.00 0.00 C ATOM 97 O TYR A 7 -3.451 -5.367 -7.022 1.00 0.00 O ATOM 98 CB TYR A 7 -4.434 -8.477 -6.150 1.00 0.00 C ATOM 99 CG TYR A 7 -3.985 -9.793 -5.583 1.00 0.00 C ATOM 100 CD1 TYR A 7 -4.116 -10.964 -6.313 1.00 0.00 C ATOM 101 CD2 TYR A 7 -3.412 -9.846 -4.320 1.00 0.00 C ATOM 102 CE1 TYR A 7 -3.680 -12.175 -5.796 1.00 0.00 C ATOM 103 CE2 TYR A 7 -2.949 -11.043 -3.796 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.091 -12.228 -4.526 1.00 0.00 C ATOM 105 OH TYR A 7 -2.634 -13.428 -3.994 1.00 0.00 O ATOM 0 H TYR A 7 -2.189 -6.790 -5.503 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.058 -8.406 -7.819 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.747 -7.822 -5.337 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.306 -8.636 -6.785 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.563 -10.933 -7.296 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.326 -8.941 -3.737 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.795 -13.080 -6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.479 -11.061 -2.824 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.255 -13.268 -3.104 1.00 0.00 H new ATOM 115 N ASP A 8 -4.765 -6.607 -8.439 1.00 0.00 N ATOM 116 CA ASP A 8 -5.435 -5.492 -9.084 1.00 0.00 C ATOM 117 C ASP A 8 -6.656 -5.135 -8.220 1.00 0.00 C ATOM 118 O ASP A 8 -7.473 -5.977 -7.863 1.00 0.00 O ATOM 119 CB ASP A 8 -5.786 -5.848 -10.540 1.00 0.00 C ATOM 120 CG ASP A 8 -6.772 -7.026 -10.661 1.00 0.00 C ATOM 121 OD1 ASP A 8 -6.417 -8.141 -10.275 1.00 0.00 O ATOM 122 OD2 ASP A 8 -7.883 -6.807 -11.143 1.00 0.00 O ATOM 0 H ASP A 8 -5.050 -7.521 -8.791 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.793 -4.614 -9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.216 -4.973 -11.027 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.870 -6.094 -11.077 1.00 0.00 H new ATOM 127 N PHE A 9 -6.681 -3.835 -7.891 1.00 0.00 N ATOM 128 CA PHE A 9 -7.715 -3.275 -7.043 1.00 0.00 C ATOM 129 C PHE A 9 -8.170 -1.904 -7.538 1.00 0.00 C ATOM 130 O PHE A 9 -7.457 -1.140 -8.171 1.00 0.00 O ATOM 131 CB PHE A 9 -7.115 -3.078 -5.640 1.00 0.00 C ATOM 132 CG PHE A 9 -8.173 -2.801 -4.608 1.00 0.00 C ATOM 133 CD1 PHE A 9 -9.084 -3.801 -4.310 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.288 -1.569 -3.965 1.00 0.00 C ATOM 135 CE1 PHE A 9 -10.105 -3.575 -3.408 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.309 -1.342 -3.046 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.222 -2.352 -2.768 1.00 0.00 C ATOM 0 H PHE A 9 -5.987 -3.157 -8.207 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.568 -3.953 -7.046 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.557 -3.970 -5.356 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.405 -2.251 -5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.995 -4.766 -4.787 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.579 -0.784 -4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.818 -4.359 -3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.391 -0.385 -2.551 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.018 -2.185 -2.057 1.00 0.00 H new ATOM 147 N LYS A 10 -9.432 -1.662 -7.173 1.00 0.00 N ATOM 148 CA LYS A 10 -10.059 -0.387 -7.450 1.00 0.00 C ATOM 149 C LYS A 10 -10.777 0.078 -6.188 1.00 0.00 C ATOM 150 O LYS A 10 -11.386 -0.704 -5.470 1.00 0.00 O ATOM 151 CB LYS A 10 -11.031 -0.473 -8.615 1.00 0.00 C ATOM 152 CG LYS A 10 -10.315 -0.618 -9.955 1.00 0.00 C ATOM 153 CD LYS A 10 -11.286 -0.279 -11.077 1.00 0.00 C ATOM 154 CE LYS A 10 -10.748 -0.591 -12.475 1.00 0.00 C ATOM 155 NZ LYS A 10 -10.756 -2.024 -12.758 1.00 0.00 N ATOM 0 H LYS A 10 -10.028 -2.333 -6.689 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.290 0.331 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.698 -1.323 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.654 0.421 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.450 0.044 -9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.943 -1.635 -10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.212 -0.832 -10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.535 0.781 -11.022 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.351 -0.071 -13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.731 -0.209 -12.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.384 -2.191 -13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.160 -2.518 -12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.730 -2.384 -12.698 1.00 0.00 H new ATOM 169 N ALA A 11 -10.648 1.402 -5.993 1.00 0.00 N ATOM 170 CA ALA A 11 -11.258 2.086 -4.849 1.00 0.00 C ATOM 171 C ALA A 11 -12.754 1.767 -4.695 1.00 0.00 C ATOM 172 O ALA A 11 -13.473 1.508 -5.654 1.00 0.00 O ATOM 173 CB ALA A 11 -11.139 3.594 -5.029 1.00 0.00 C ATOM 0 H ALA A 11 -10.125 2.017 -6.616 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.727 1.736 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.594 4.099 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.087 3.871 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.651 3.893 -5.943 1.00 0.00 H new ATOM 179 N THR A 12 -13.152 1.836 -3.408 1.00 0.00 N ATOM 180 CA THR A 12 -14.536 1.591 -3.006 1.00 0.00 C ATOM 181 C THR A 12 -15.173 2.858 -2.413 1.00 0.00 C ATOM 182 O THR A 12 -16.363 2.904 -2.123 1.00 0.00 O ATOM 183 CB THR A 12 -14.543 0.471 -1.928 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.216 0.874 -0.561 1.00 0.00 O ATOM 185 CG2 THR A 12 -13.765 -0.762 -2.461 1.00 0.00 C ATOM 0 H THR A 12 -12.526 2.060 -2.634 1.00 0.00 H new ATOM 0 HA THR A 12 -15.112 1.295 -3.883 1.00 0.00 H new ATOM 0 HB THR A 12 -15.584 0.183 -1.782 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.253 0.092 0.028 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.769 -1.549 -1.706 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.243 -1.129 -3.370 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.737 -0.476 -2.682 1.00 0.00 H new ATOM 193 N ALA A 13 -14.296 3.873 -2.267 1.00 0.00 N ATOM 194 CA ALA A 13 -14.671 5.158 -1.705 1.00 0.00 C ATOM 195 C ALA A 13 -13.778 6.263 -2.281 1.00 0.00 C ATOM 196 O ALA A 13 -12.822 6.028 -3.009 1.00 0.00 O ATOM 197 CB ALA A 13 -14.515 5.059 -0.181 1.00 0.00 C ATOM 0 H ALA A 13 -13.315 3.811 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.702 5.408 -1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.789 6.010 0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.166 4.272 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.479 4.824 0.064 1.00 0.00 H new ATOM 203 N ASP A 14 -14.191 7.480 -1.894 1.00 0.00 N ATOM 204 CA ASP A 14 -13.545 8.719 -2.294 1.00 0.00 C ATOM 205 C ASP A 14 -12.197 8.928 -1.555 1.00 0.00 C ATOM 206 O ASP A 14 -11.296 9.604 -2.037 1.00 0.00 O ATOM 207 CB ASP A 14 -14.585 9.804 -1.994 1.00 0.00 C ATOM 208 CG ASP A 14 -14.211 11.183 -2.566 1.00 0.00 C ATOM 209 OD1 ASP A 14 -14.242 11.343 -3.786 1.00 0.00 O ATOM 210 OD2 ASP A 14 -13.904 12.083 -1.786 1.00 0.00 O ATOM 0 H ASP A 14 -14.997 7.622 -1.285 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.263 8.730 -3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.547 9.498 -2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.710 9.888 -0.915 1.00 0.00 H new ATOM 215 N ASP A 15 -12.126 8.281 -0.369 1.00 0.00 N ATOM 216 CA ASP A 15 -10.939 8.331 0.484 1.00 0.00 C ATOM 217 C ASP A 15 -9.912 7.242 0.106 1.00 0.00 C ATOM 218 O ASP A 15 -8.742 7.324 0.452 1.00 0.00 O ATOM 219 CB ASP A 15 -11.392 8.227 1.947 1.00 0.00 C ATOM 220 CG ASP A 15 -12.156 6.929 2.273 1.00 0.00 C ATOM 221 OD1 ASP A 15 -11.511 5.911 2.510 1.00 0.00 O ATOM 222 OD2 ASP A 15 -13.387 6.959 2.293 1.00 0.00 O ATOM 0 H ASP A 15 -12.887 7.718 0.011 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.421 9.279 0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.517 8.294 2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.028 9.080 2.182 1.00 0.00 H new ATOM 227 N GLU A 16 -10.426 6.253 -0.651 1.00 0.00 N ATOM 228 CA GLU A 16 -9.639 5.117 -1.133 1.00 0.00 C ATOM 229 C GLU A 16 -9.223 5.381 -2.592 1.00 0.00 C ATOM 230 O GLU A 16 -9.862 6.121 -3.329 1.00 0.00 O ATOM 231 CB GLU A 16 -10.510 3.841 -1.127 1.00 0.00 C ATOM 232 CG GLU A 16 -10.552 3.168 0.250 1.00 0.00 C ATOM 233 CD GLU A 16 -11.403 1.891 0.289 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.382 1.133 -0.683 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.079 1.665 1.294 1.00 0.00 O ATOM 0 H GLU A 16 -11.403 6.226 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.768 4.990 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.524 4.095 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.121 3.136 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.535 2.925 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.944 3.877 0.979 1.00 0.00 H new ATOM 242 N LEU A 17 -8.106 4.709 -2.950 1.00 0.00 N ATOM 243 CA LEU A 17 -7.587 4.814 -4.326 1.00 0.00 C ATOM 244 C LEU A 17 -7.243 3.436 -4.899 1.00 0.00 C ATOM 245 O LEU A 17 -7.029 2.448 -4.208 1.00 0.00 O ATOM 246 CB LEU A 17 -6.475 5.865 -4.501 1.00 0.00 C ATOM 247 CG LEU A 17 -5.092 5.555 -3.893 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.224 4.628 -4.753 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.303 6.850 -3.746 1.00 0.00 C ATOM 0 H LEU A 17 -7.565 4.109 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.400 5.209 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.341 6.036 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.828 6.802 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.299 5.061 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.269 4.459 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.735 3.675 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.051 5.090 -5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.325 6.633 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.175 7.311 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.844 7.533 -3.091 1.00 0.00 H new ATOM 261 N SER A 18 -7.215 3.495 -6.242 1.00 0.00 N ATOM 262 CA SER A 18 -6.971 2.352 -7.100 1.00 0.00 C ATOM 263 C SER A 18 -5.464 2.125 -7.337 1.00 0.00 C ATOM 264 O SER A 18 -4.636 3.022 -7.255 1.00 0.00 O ATOM 265 CB SER A 18 -7.660 2.678 -8.442 1.00 0.00 C ATOM 266 OG SER A 18 -9.095 2.913 -8.053 1.00 0.00 O ATOM 0 H SER A 18 -7.366 4.361 -6.759 1.00 0.00 H new ATOM 0 HA SER A 18 -7.358 1.443 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.223 3.558 -8.914 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.566 1.856 -9.151 1.00 0.00 H new ATOM 0 HG SER A 18 -9.619 3.132 -8.852 1.00 0.00 H new ATOM 272 N PHE A 19 -5.215 0.848 -7.676 1.00 0.00 N ATOM 273 CA PHE A 19 -3.875 0.360 -8.002 1.00 0.00 C ATOM 274 C PHE A 19 -4.032 -0.918 -8.803 1.00 0.00 C ATOM 275 O PHE A 19 -4.960 -1.687 -8.621 1.00 0.00 O ATOM 276 CB PHE A 19 -2.958 0.111 -6.793 1.00 0.00 C ATOM 277 CG PHE A 19 -3.539 -0.769 -5.719 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.348 -2.148 -5.745 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.247 -0.208 -4.661 1.00 0.00 C ATOM 280 CE1 PHE A 19 -3.827 -2.949 -4.717 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.737 -1.010 -3.640 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.520 -2.379 -3.660 1.00 0.00 C ATOM 0 H PHE A 19 -5.939 0.131 -7.730 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.378 1.148 -8.567 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.031 -0.339 -7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.697 1.073 -6.351 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.822 -2.599 -6.573 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.416 0.858 -4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.660 -4.016 -4.741 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.290 -0.565 -2.826 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.889 -2.999 -2.856 1.00 0.00 H new ATOM 292 N LYS A 20 -3.060 -1.088 -9.704 1.00 0.00 N ATOM 293 CA LYS A 20 -3.027 -2.233 -10.587 1.00 0.00 C ATOM 294 C LYS A 20 -1.963 -3.178 -10.045 1.00 0.00 C ATOM 295 O LYS A 20 -0.964 -2.738 -9.495 1.00 0.00 O ATOM 296 CB LYS A 20 -2.612 -1.732 -11.979 1.00 0.00 C ATOM 297 CG LYS A 20 -3.577 -0.687 -12.568 1.00 0.00 C ATOM 298 CD LYS A 20 -2.939 0.138 -13.698 1.00 0.00 C ATOM 299 CE LYS A 20 -1.921 1.168 -13.184 1.00 0.00 C ATOM 300 NZ LYS A 20 -1.368 1.983 -14.263 1.00 0.00 N ATOM 0 H LYS A 20 -2.286 -0.437 -9.833 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.990 -2.739 -10.649 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.613 -1.299 -11.918 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.550 -2.582 -12.659 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.465 -1.192 -12.949 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.907 -0.016 -11.775 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.445 -0.535 -14.398 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.723 0.654 -14.251 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.401 1.816 -12.451 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.111 0.651 -12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.687 2.663 -13.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.887 1.369 -14.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.137 2.498 -14.738 1.00 0.00 H new ATOM 314 N ARG A 21 -2.256 -4.482 -10.208 1.00 0.00 N ATOM 315 CA ARG A 21 -1.333 -5.536 -9.780 1.00 0.00 C ATOM 316 C ARG A 21 0.122 -5.242 -10.225 1.00 0.00 C ATOM 317 O ARG A 21 0.495 -5.463 -11.372 1.00 0.00 O ATOM 318 CB ARG A 21 -1.817 -6.871 -10.369 1.00 0.00 C ATOM 319 CG ARG A 21 -1.028 -8.091 -9.869 1.00 0.00 C ATOM 320 CD ARG A 21 0.176 -8.455 -10.743 1.00 0.00 C ATOM 321 NE ARG A 21 0.670 -9.772 -10.361 1.00 0.00 N ATOM 322 CZ ARG A 21 1.780 -10.303 -10.911 1.00 0.00 C ATOM 323 NH1 ARG A 21 2.501 -9.620 -11.792 1.00 0.00 N ATOM 324 NH2 ARG A 21 2.156 -11.525 -10.565 1.00 0.00 N ATOM 0 H ARG A 21 -3.119 -4.823 -10.630 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.326 -5.582 -8.691 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.870 -7.005 -10.123 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.747 -6.825 -11.456 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.681 -7.896 -8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.699 -8.948 -9.817 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.110 -8.453 -11.795 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.963 -7.711 -10.625 1.00 0.00 H new ATOM 0 HE ARG A 21 0.161 -10.307 -9.657 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.218 -8.678 -12.062 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.338 -10.037 -12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.607 -12.055 -9.888 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.994 -11.936 -10.975 1.00 0.00 H new ATOM 338 N GLY A 22 0.898 -4.739 -9.238 1.00 0.00 N ATOM 339 CA GLY A 22 2.298 -4.406 -9.461 1.00 0.00 C ATOM 340 C GLY A 22 2.674 -2.955 -9.125 1.00 0.00 C ATOM 341 O GLY A 22 3.829 -2.587 -9.305 1.00 0.00 O ATOM 0 H GLY A 22 0.568 -4.560 -8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.916 -5.075 -8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.541 -4.597 -10.506 1.00 0.00 H new ATOM 345 N ASP A 23 1.697 -2.133 -8.646 1.00 0.00 N ATOM 346 CA ASP A 23 2.066 -0.764 -8.321 1.00 0.00 C ATOM 347 C ASP A 23 2.866 -0.754 -7.011 1.00 0.00 C ATOM 348 O ASP A 23 2.592 -1.494 -6.076 1.00 0.00 O ATOM 349 CB ASP A 23 0.822 0.128 -8.142 1.00 0.00 C ATOM 350 CG ASP A 23 0.039 0.423 -9.441 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.376 -0.105 -10.499 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.905 1.208 -9.380 1.00 0.00 O ATOM 0 H ASP A 23 0.721 -2.387 -8.492 1.00 0.00 H new ATOM 0 HA ASP A 23 2.662 -0.371 -9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.149 -0.351 -7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.133 1.075 -7.700 1.00 0.00 H new ATOM 357 N ILE A 24 3.864 0.145 -7.023 1.00 0.00 N ATOM 358 CA ILE A 24 4.724 0.345 -5.867 1.00 0.00 C ATOM 359 C ILE A 24 4.186 1.620 -5.216 1.00 0.00 C ATOM 360 O ILE A 24 4.140 2.680 -5.827 1.00 0.00 O ATOM 361 CB ILE A 24 6.195 0.469 -6.303 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.657 -0.776 -7.090 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.126 0.743 -5.112 1.00 0.00 C ATOM 364 CD1 ILE A 24 6.511 -2.098 -6.323 1.00 0.00 C ATOM 0 H ILE A 24 4.087 0.738 -7.822 1.00 0.00 H new ATOM 0 HA ILE A 24 4.710 -0.490 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 24 6.256 1.330 -6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.083 -0.841 -8.015 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.702 -0.646 -7.372 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.154 0.823 -5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.834 1.676 -4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.051 -0.075 -4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.858 -2.921 -6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.108 -2.058 -5.412 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.464 -2.255 -6.065 1.00 0.00 H new ATOM 376 N LEU A 25 3.768 1.426 -3.948 1.00 0.00 N ATOM 377 CA LEU A 25 3.156 2.516 -3.201 1.00 0.00 C ATOM 378 C LEU A 25 4.103 3.076 -2.160 1.00 0.00 C ATOM 379 O LEU A 25 5.099 2.488 -1.753 1.00 0.00 O ATOM 380 CB LEU A 25 1.858 2.056 -2.509 1.00 0.00 C ATOM 381 CG LEU A 25 0.910 1.316 -3.452 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.176 -0.196 -3.568 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.556 1.535 -3.073 1.00 0.00 C ATOM 0 H LEU A 25 3.845 0.544 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 25 2.921 3.299 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.110 1.405 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.346 2.925 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 25 1.114 1.755 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.457 -0.640 -4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.187 -0.360 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.073 -0.660 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.197 0.992 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.728 1.170 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.789 2.599 -3.120 1.00 0.00 H new ATOM 395 N LYS A 26 3.664 4.282 -1.785 1.00 0.00 N ATOM 396 CA LYS A 26 4.354 5.064 -0.776 1.00 0.00 C ATOM 397 C LYS A 26 3.542 5.003 0.503 1.00 0.00 C ATOM 398 O LYS A 26 2.610 5.766 0.682 1.00 0.00 O ATOM 399 CB LYS A 26 4.584 6.489 -1.282 1.00 0.00 C ATOM 400 CG LYS A 26 5.588 7.288 -0.444 1.00 0.00 C ATOM 401 CD LYS A 26 5.011 7.899 0.842 1.00 0.00 C ATOM 402 CE LYS A 26 6.111 8.601 1.633 1.00 0.00 C ATOM 403 NZ LYS A 26 5.745 8.871 3.019 1.00 0.00 N ATOM 0 H LYS A 26 2.833 4.731 -2.170 1.00 0.00 H new ATOM 0 HA LYS A 26 5.344 4.659 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.937 6.446 -2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.631 7.019 -1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.419 6.635 -0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.997 8.090 -1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.222 8.609 0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.556 7.118 1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.010 7.985 1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.359 9.541 1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.080 9.818 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.711 8.828 3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.183 8.160 3.639 1.00 0.00 H new ATOM 417 N VAL A 27 3.986 4.128 1.422 1.00 0.00 N ATOM 418 CA VAL A 27 3.218 3.991 2.654 1.00 0.00 C ATOM 419 C VAL A 27 3.770 5.046 3.604 1.00 0.00 C ATOM 420 O VAL A 27 4.902 5.018 4.072 1.00 0.00 O ATOM 421 CB VAL A 27 3.302 2.555 3.206 1.00 0.00 C ATOM 422 CG1 VAL A 27 2.981 2.464 4.706 1.00 0.00 C ATOM 423 CG2 VAL A 27 2.341 1.647 2.435 1.00 0.00 C ATOM 0 H VAL A 27 4.818 3.543 1.341 1.00 0.00 H new ATOM 0 HA VAL A 27 2.152 4.155 2.499 1.00 0.00 H new ATOM 0 HB VAL A 27 4.334 2.231 3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.058 1.427 5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.689 3.074 5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.969 2.826 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.404 0.633 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.322 2.017 2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.612 1.644 1.379 1.00 0.00 H new ATOM 433 N LEU A 28 2.820 5.969 3.821 1.00 0.00 N ATOM 434 CA LEU A 28 3.007 7.154 4.623 1.00 0.00 C ATOM 435 C LEU A 28 2.650 6.827 6.078 1.00 0.00 C ATOM 436 O LEU A 28 3.426 7.088 6.989 1.00 0.00 O ATOM 437 CB LEU A 28 2.065 8.204 3.992 1.00 0.00 C ATOM 438 CG LEU A 28 1.942 9.524 4.767 1.00 0.00 C ATOM 439 CD1 LEU A 28 3.258 10.305 4.775 1.00 0.00 C ATOM 440 CD2 LEU A 28 0.810 10.372 4.171 1.00 0.00 C ATOM 0 H LEU A 28 1.882 5.895 3.427 1.00 0.00 H new ATOM 0 HA LEU A 28 4.031 7.528 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.417 8.425 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.072 7.765 3.894 1.00 0.00 H new ATOM 0 HG LEU A 28 1.705 9.287 5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.128 11.232 5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.035 9.704 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.550 10.537 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.726 11.308 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.028 10.587 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.130 9.824 4.240 1.00 0.00 H new ATOM 452 N ASN A 29 1.453 6.222 6.223 1.00 0.00 N ATOM 453 CA ASN A 29 0.977 5.825 7.542 1.00 0.00 C ATOM 454 C ASN A 29 -0.165 4.800 7.387 1.00 0.00 C ATOM 455 O ASN A 29 -0.341 4.179 6.349 1.00 0.00 O ATOM 456 CB ASN A 29 0.615 7.068 8.389 1.00 0.00 C ATOM 457 CG ASN A 29 -0.568 7.889 7.854 1.00 0.00 C ATOM 458 OD1 ASN A 29 -0.578 8.349 6.721 1.00 0.00 O ATOM 459 ND2 ASN A 29 -1.552 8.051 8.754 1.00 0.00 N ATOM 0 H ASN A 29 0.818 6.006 5.454 1.00 0.00 H new ATOM 0 HA ASN A 29 1.767 5.323 8.101 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.385 6.744 9.404 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.490 7.715 8.451 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.383 8.590 8.510 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.469 7.634 9.681 1.00 0.00 H new ATOM 466 N GLU A 30 -0.899 4.677 8.506 1.00 0.00 N ATOM 467 CA GLU A 30 -2.057 3.820 8.706 1.00 0.00 C ATOM 468 C GLU A 30 -3.182 4.748 9.206 1.00 0.00 C ATOM 469 O GLU A 30 -3.564 5.699 8.535 1.00 0.00 O ATOM 470 CB GLU A 30 -1.665 2.599 9.589 1.00 0.00 C ATOM 471 CG GLU A 30 -0.603 2.872 10.683 1.00 0.00 C ATOM 472 CD GLU A 30 -0.989 3.978 11.682 1.00 0.00 C ATOM 473 OE1 GLU A 30 -1.711 3.682 12.634 1.00 0.00 O ATOM 474 OE2 GLU A 30 -0.564 5.119 11.497 1.00 0.00 O ATOM 0 H GLU A 30 -0.676 5.214 9.344 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.437 3.335 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.566 2.219 10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.293 1.808 8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.421 1.949 11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.335 3.146 10.201 1.00 0.00 H new ATOM 481 N GLU A 31 -3.666 4.414 10.402 1.00 0.00 N ATOM 482 CA GLU A 31 -4.679 5.151 11.129 1.00 0.00 C ATOM 483 C GLU A 31 -6.081 4.927 10.551 1.00 0.00 C ATOM 484 O GLU A 31 -6.624 5.718 9.789 1.00 0.00 O ATOM 485 CB GLU A 31 -4.264 6.626 11.278 1.00 0.00 C ATOM 486 CG GLU A 31 -4.426 7.074 12.728 1.00 0.00 C ATOM 487 CD GLU A 31 -4.111 8.567 12.928 1.00 0.00 C ATOM 488 OE1 GLU A 31 -4.731 9.393 12.259 1.00 0.00 O ATOM 489 OE2 GLU A 31 -3.257 8.892 13.752 1.00 0.00 O ATOM 0 H GLU A 31 -3.344 3.587 10.905 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.749 4.758 12.143 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.228 6.754 10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.874 7.251 10.626 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.447 6.876 13.053 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.769 6.480 13.363 1.00 0.00 H new ATOM 496 N CYS A 32 -6.599 3.772 11.000 1.00 0.00 N ATOM 497 CA CYS A 32 -7.916 3.271 10.647 1.00 0.00 C ATOM 498 C CYS A 32 -8.065 1.922 11.356 1.00 0.00 C ATOM 499 O CYS A 32 -8.796 1.772 12.325 1.00 0.00 O ATOM 500 CB CYS A 32 -8.083 3.129 9.122 1.00 0.00 C ATOM 501 SG CYS A 32 -9.615 2.289 8.646 1.00 0.00 S ATOM 0 H CYS A 32 -6.092 3.154 11.634 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.693 3.968 10.962 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.063 4.119 8.667 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.234 2.577 8.720 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.845 1.308 9.467 1.00 0.00 H new ATOM 507 N ASP A 33 -7.275 0.984 10.800 1.00 0.00 N ATOM 508 CA ASP A 33 -7.175 -0.406 11.219 1.00 0.00 C ATOM 509 C ASP A 33 -5.876 -0.920 10.600 1.00 0.00 C ATOM 510 O ASP A 33 -5.137 -0.179 9.961 1.00 0.00 O ATOM 511 CB ASP A 33 -8.364 -1.244 10.683 1.00 0.00 C ATOM 512 CG ASP A 33 -9.692 -0.848 11.331 1.00 0.00 C ATOM 513 OD1 ASP A 33 -9.804 -0.995 12.547 1.00 0.00 O ATOM 514 OD2 ASP A 33 -10.598 -0.420 10.615 1.00 0.00 O ATOM 0 H ASP A 33 -6.665 1.196 10.010 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.190 -0.488 12.306 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.437 -1.117 9.603 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.173 -2.301 10.868 1.00 0.00 H new ATOM 519 N GLN A 34 -5.647 -2.229 10.809 1.00 0.00 N ATOM 520 CA GLN A 34 -4.478 -2.866 10.243 1.00 0.00 C ATOM 521 C GLN A 34 -4.602 -2.838 8.711 1.00 0.00 C ATOM 522 O GLN A 34 -3.847 -2.198 7.995 1.00 0.00 O ATOM 523 CB GLN A 34 -4.384 -4.286 10.823 1.00 0.00 C ATOM 524 CG GLN A 34 -2.928 -4.716 10.901 1.00 0.00 C ATOM 525 CD GLN A 34 -2.774 -6.233 11.022 1.00 0.00 C ATOM 526 OE1 GLN A 34 -2.544 -6.928 10.042 1.00 0.00 O ATOM 527 NE2 GLN A 34 -2.913 -6.697 12.269 1.00 0.00 N ATOM 0 H GLN A 34 -6.251 -2.843 11.356 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.554 -2.346 10.497 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.834 -4.314 11.815 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.945 -4.981 10.199 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.402 -4.370 10.012 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.456 -4.236 11.758 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.104 -6.051 13.035 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.827 -7.696 12.454 1.00 0.00 H new ATOM 536 N ASN A 35 -5.670 -3.555 8.323 1.00 0.00 N ATOM 537 CA ASN A 35 -6.290 -3.858 7.058 1.00 0.00 C ATOM 538 C ASN A 35 -6.350 -2.692 6.089 1.00 0.00 C ATOM 539 O ASN A 35 -6.626 -2.917 4.928 1.00 0.00 O ATOM 540 CB ASN A 35 -7.741 -4.227 7.412 1.00 0.00 C ATOM 541 CG ASN A 35 -7.870 -5.598 8.086 1.00 0.00 C ATOM 542 OD1 ASN A 35 -6.953 -6.408 8.099 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.074 -5.787 8.647 1.00 0.00 N ATOM 0 H ASN A 35 -6.208 -4.017 9.056 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.708 -4.636 6.564 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.152 -3.464 8.074 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.343 -4.218 6.503 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.280 -6.661 9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.784 -5.057 8.589 1.00 0.00 H new ATOM 550 N TRP A 36 -6.139 -1.464 6.589 1.00 0.00 N ATOM 551 CA TRP A 36 -6.177 -0.298 5.720 1.00 0.00 C ATOM 552 C TRP A 36 -5.047 0.662 6.089 1.00 0.00 C ATOM 553 O TRP A 36 -4.974 1.222 7.175 1.00 0.00 O ATOM 554 CB TRP A 36 -7.511 0.429 5.855 1.00 0.00 C ATOM 555 CG TRP A 36 -8.622 -0.515 5.462 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.270 -1.440 6.293 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.169 -0.690 4.139 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.150 -2.151 5.555 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.122 -1.727 4.233 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.936 -0.082 2.935 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.811 -2.125 3.122 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.636 -0.490 1.800 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.579 -1.510 1.894 1.00 0.00 C ATOM 0 H TRP A 36 -5.945 -1.264 7.570 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.056 -0.635 4.690 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.652 0.772 6.880 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.525 1.314 5.218 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.094 -1.564 7.351 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.749 -2.893 5.917 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.210 0.714 2.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.538 -2.920 3.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.447 -0.015 0.849 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.128 -1.823 1.018 1.00 0.00 H new ATOM 574 N TYR A 37 -4.207 0.821 5.064 1.00 0.00 N ATOM 575 CA TYR A 37 -3.048 1.703 5.118 1.00 0.00 C ATOM 576 C TYR A 37 -3.434 2.974 4.383 1.00 0.00 C ATOM 577 O TYR A 37 -4.468 3.049 3.745 1.00 0.00 O ATOM 578 CB TYR A 37 -1.863 1.105 4.332 1.00 0.00 C ATOM 579 CG TYR A 37 -1.199 -0.071 4.981 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.026 -0.123 6.356 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.710 -1.105 4.193 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.367 -1.182 6.948 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.043 -2.175 4.761 1.00 0.00 C ATOM 584 CZ TYR A 37 0.143 -2.212 6.151 1.00 0.00 C ATOM 585 OH TYR A 37 0.818 -3.270 6.736 1.00 0.00 O ATOM 0 H TYR A 37 -4.315 0.338 4.172 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.764 1.860 6.159 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.216 0.805 3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.117 1.885 4.180 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.412 0.676 6.972 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.853 -1.073 3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.246 -1.215 8.021 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.331 -2.975 4.140 1.00 0.00 H new ATOM 0 HH TYR A 37 1.768 -3.222 6.500 1.00 0.00 H new ATOM 595 N LYS A 38 -2.524 3.945 4.528 1.00 0.00 N ATOM 596 CA LYS A 38 -2.621 5.239 3.889 1.00 0.00 C ATOM 597 C LYS A 38 -1.316 5.369 3.099 1.00 0.00 C ATOM 598 O LYS A 38 -0.239 5.495 3.672 1.00 0.00 O ATOM 599 CB LYS A 38 -2.793 6.369 4.910 1.00 0.00 C ATOM 600 CG LYS A 38 -3.495 7.554 4.231 1.00 0.00 C ATOM 601 CD LYS A 38 -3.282 8.880 4.945 1.00 0.00 C ATOM 602 CE LYS A 38 -3.860 8.932 6.364 1.00 0.00 C ATOM 603 NZ LYS A 38 -5.317 8.999 6.371 1.00 0.00 N ATOM 0 H LYS A 38 -1.690 3.840 5.105 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.498 5.318 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.379 6.022 5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.822 6.678 5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.133 7.641 3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.564 7.349 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.213 9.086 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.733 9.675 4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.537 8.050 6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.457 9.800 6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.646 9.302 7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.637 9.683 5.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.709 8.061 6.153 1.00 0.00 H new ATOM 617 N ALA A 39 -1.472 5.306 1.759 1.00 0.00 N ATOM 618 CA ALA A 39 -0.297 5.382 0.901 1.00 0.00 C ATOM 619 C ALA A 39 -0.531 6.334 -0.264 1.00 0.00 C ATOM 620 O ALA A 39 -1.623 6.853 -0.450 1.00 0.00 O ATOM 621 CB ALA A 39 0.064 3.966 0.427 1.00 0.00 C ATOM 0 H ALA A 39 -2.364 5.207 1.275 1.00 0.00 H new ATOM 0 HA ALA A 39 0.544 5.787 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.943 4.011 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.278 3.337 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.773 3.544 -0.130 1.00 0.00 H new ATOM 627 N GLU A 40 0.567 6.530 -1.033 1.00 0.00 N ATOM 628 CA GLU A 40 0.502 7.432 -2.169 1.00 0.00 C ATOM 629 C GLU A 40 0.942 6.664 -3.423 1.00 0.00 C ATOM 630 O GLU A 40 1.856 5.849 -3.421 1.00 0.00 O ATOM 631 CB GLU A 40 1.331 8.698 -1.852 1.00 0.00 C ATOM 632 CG GLU A 40 1.061 9.898 -2.783 1.00 0.00 C ATOM 633 CD GLU A 40 1.665 9.730 -4.193 1.00 0.00 C ATOM 634 OE1 GLU A 40 2.818 9.314 -4.294 1.00 0.00 O ATOM 635 OE2 GLU A 40 0.976 10.014 -5.174 1.00 0.00 O ATOM 0 H GLU A 40 1.472 6.085 -0.882 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.510 7.785 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.128 9.000 -0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.390 8.445 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.016 10.044 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.468 10.801 -2.327 1.00 0.00 H new ATOM 642 N LEU A 41 0.193 7.004 -4.481 1.00 0.00 N ATOM 643 CA LEU A 41 0.371 6.443 -5.803 1.00 0.00 C ATOM 644 C LEU A 41 -0.222 7.305 -6.868 1.00 0.00 C ATOM 645 O LEU A 41 -1.315 7.832 -6.759 1.00 0.00 O ATOM 646 CB LEU A 41 -0.534 5.209 -6.022 1.00 0.00 C ATOM 647 CG LEU A 41 0.048 3.865 -5.652 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.070 2.846 -5.856 1.00 0.00 C ATOM 649 CD2 LEU A 41 1.170 3.557 -6.642 1.00 0.00 C ATOM 0 H LEU A 41 -0.562 7.688 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 41 1.447 6.281 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.450 5.353 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.819 5.178 -7.074 1.00 0.00 H new ATOM 0 HG LEU A 41 0.429 3.845 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.706 1.850 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.914 3.098 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.390 2.861 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.612 2.590 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.765 3.529 -7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.934 4.332 -6.578 1.00 0.00 H new ATOM 661 N ASN A 42 0.550 7.219 -7.957 1.00 0.00 N ATOM 662 CA ASN A 42 0.243 7.783 -9.239 1.00 0.00 C ATOM 663 C ASN A 42 0.179 9.311 -9.288 1.00 0.00 C ATOM 664 O ASN A 42 1.049 9.997 -9.810 1.00 0.00 O ATOM 665 CB ASN A 42 -0.970 6.929 -9.695 1.00 0.00 C ATOM 666 CG ASN A 42 -0.874 6.476 -11.145 1.00 0.00 C ATOM 667 OD1 ASN A 42 -1.204 7.178 -12.091 1.00 0.00 O ATOM 668 ND2 ASN A 42 -0.383 5.227 -11.228 1.00 0.00 N ATOM 0 H ASN A 42 1.444 6.727 -7.949 1.00 0.00 H new ATOM 0 HA ASN A 42 1.038 7.711 -9.981 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.051 6.053 -9.052 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.884 7.508 -9.562 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.258 4.788 -12.140 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.135 4.719 -10.379 1.00 0.00 H new ATOM 675 N GLY A 43 -0.919 9.755 -8.710 1.00 0.00 N ATOM 676 CA GLY A 43 -1.253 11.172 -8.589 1.00 0.00 C ATOM 677 C GLY A 43 -2.364 11.400 -7.563 1.00 0.00 C ATOM 678 O GLY A 43 -3.062 12.404 -7.571 1.00 0.00 O ATOM 0 H GLY A 43 -1.620 9.136 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.365 11.732 -8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.567 11.557 -9.559 1.00 0.00 H new ATOM 682 N LYS A 44 -2.488 10.366 -6.706 1.00 0.00 N ATOM 683 CA LYS A 44 -3.466 10.307 -5.639 1.00 0.00 C ATOM 684 C LYS A 44 -2.816 9.752 -4.360 1.00 0.00 C ATOM 685 O LYS A 44 -1.730 9.196 -4.362 1.00 0.00 O ATOM 686 CB LYS A 44 -4.587 9.376 -6.130 1.00 0.00 C ATOM 687 CG LYS A 44 -5.402 10.011 -7.260 1.00 0.00 C ATOM 688 CD LYS A 44 -6.596 9.147 -7.661 1.00 0.00 C ATOM 689 CE LYS A 44 -7.391 9.781 -8.802 1.00 0.00 C ATOM 690 NZ LYS A 44 -8.575 8.996 -9.122 1.00 0.00 N ATOM 0 H LYS A 44 -1.891 9.540 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.859 11.295 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.154 8.438 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.248 9.133 -5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.755 10.993 -6.945 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.760 10.166 -8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.246 8.160 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.247 9.003 -6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.687 10.792 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.758 9.866 -9.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.094 9.451 -9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.289 8.039 -9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.189 8.937 -8.285 1.00 0.00 H new ATOM 704 N ASP A 45 -3.598 9.926 -3.283 1.00 0.00 N ATOM 705 CA ASP A 45 -3.255 9.460 -1.937 1.00 0.00 C ATOM 706 C ASP A 45 -4.580 8.958 -1.306 1.00 0.00 C ATOM 707 O ASP A 45 -5.612 9.616 -1.388 1.00 0.00 O ATOM 708 CB ASP A 45 -2.552 10.556 -1.110 1.00 0.00 C ATOM 709 CG ASP A 45 -3.433 11.786 -0.815 1.00 0.00 C ATOM 710 OD1 ASP A 45 -3.886 12.431 -1.760 1.00 0.00 O ATOM 711 OD2 ASP A 45 -3.645 12.093 0.358 1.00 0.00 O ATOM 0 H ASP A 45 -4.499 10.402 -3.327 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.527 8.649 -1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.220 10.126 -0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.659 10.882 -1.644 1.00 0.00 H new ATOM 716 N GLY A 46 -4.507 7.738 -0.720 1.00 0.00 N ATOM 717 CA GLY A 46 -5.739 7.167 -0.173 1.00 0.00 C ATOM 718 C GLY A 46 -5.512 5.831 0.522 1.00 0.00 C ATOM 719 O GLY A 46 -4.401 5.317 0.602 1.00 0.00 O ATOM 0 H GLY A 46 -3.665 7.171 -0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.177 7.870 0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.462 7.034 -0.978 1.00 0.00 H new ATOM 723 N PHE A 47 -6.657 5.292 1.004 1.00 0.00 N ATOM 724 CA PHE A 47 -6.627 4.017 1.703 1.00 0.00 C ATOM 725 C PHE A 47 -6.570 2.832 0.723 1.00 0.00 C ATOM 726 O PHE A 47 -7.151 2.844 -0.356 1.00 0.00 O ATOM 727 CB PHE A 47 -7.821 3.893 2.653 1.00 0.00 C ATOM 728 CG PHE A 47 -7.749 4.885 3.780 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.105 4.570 4.975 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.333 6.135 3.639 1.00 0.00 C ATOM 731 CE1 PHE A 47 -7.058 5.494 6.013 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.284 7.061 4.667 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.652 6.739 5.860 1.00 0.00 C ATOM 0 H PHE A 47 -7.580 5.717 0.918 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.714 3.986 2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.745 4.044 2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.856 2.883 3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.640 3.603 5.096 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.832 6.389 2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.560 5.243 6.938 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.737 8.033 4.541 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.623 7.456 6.667 1.00 0.00 H new ATOM 743 N ILE A 48 -5.800 1.826 1.189 1.00 0.00 N ATOM 744 CA ILE A 48 -5.584 0.592 0.439 1.00 0.00 C ATOM 745 C ILE A 48 -5.596 -0.604 1.433 1.00 0.00 C ATOM 746 O ILE A 48 -5.081 -0.477 2.535 1.00 0.00 O ATOM 747 CB ILE A 48 -4.252 0.693 -0.329 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.053 1.047 0.582 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.334 1.704 -1.484 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.941 0.003 0.529 1.00 0.00 C ATOM 0 H ILE A 48 -5.319 1.855 2.088 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.376 0.434 -0.293 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.079 -0.303 -0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.650 2.015 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.401 1.148 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.375 1.745 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.110 1.394 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.576 2.690 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.127 0.305 1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.332 -0.961 0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.569 -0.081 -0.492 1.00 0.00 H new ATOM 762 N PRO A 49 -6.193 -1.768 1.023 1.00 0.00 N ATOM 763 CA PRO A 49 -6.281 -2.945 1.891 1.00 0.00 C ATOM 764 C PRO A 49 -4.948 -3.696 2.129 1.00 0.00 C ATOM 765 O PRO A 49 -4.168 -3.822 1.191 1.00 0.00 O ATOM 766 CB PRO A 49 -7.289 -3.882 1.214 1.00 0.00 C ATOM 767 CG PRO A 49 -7.584 -3.307 -0.174 1.00 0.00 C ATOM 768 CD PRO A 49 -6.865 -1.958 -0.263 1.00 0.00 C ATOM 0 HA PRO A 49 -6.579 -2.614 2.886 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.883 -4.890 1.134 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.203 -3.953 1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.233 -3.983 -0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.657 -3.182 -0.319 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.146 -1.953 -1.082 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.573 -1.152 -0.455 1.00 0.00 H new ATOM 776 N LYS A 50 -4.726 -4.253 3.370 1.00 0.00 N ATOM 777 CA LYS A 50 -3.439 -4.956 3.505 1.00 0.00 C ATOM 778 C LYS A 50 -3.375 -6.269 2.710 1.00 0.00 C ATOM 779 O LYS A 50 -2.324 -6.599 2.183 1.00 0.00 O ATOM 780 CB LYS A 50 -3.207 -5.380 4.964 1.00 0.00 C ATOM 781 CG LYS A 50 -2.837 -4.200 5.843 1.00 0.00 C ATOM 782 CD LYS A 50 -2.289 -4.571 7.235 1.00 0.00 C ATOM 783 CE LYS A 50 -1.133 -5.580 7.235 1.00 0.00 C ATOM 784 NZ LYS A 50 -1.604 -6.947 7.430 1.00 0.00 N ATOM 0 H LYS A 50 -5.343 -4.230 4.182 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.699 -4.246 3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.109 -5.854 5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.413 -6.126 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.090 -3.599 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.718 -3.572 5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.955 -3.660 7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.105 -4.978 7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.593 -5.513 6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.427 -5.323 8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.860 -7.615 7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.833 -7.095 8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.455 -7.107 6.853 1.00 0.00 H new ATOM 798 N ASN A 51 -4.511 -6.994 2.630 1.00 0.00 N ATOM 799 CA ASN A 51 -4.462 -8.274 1.888 1.00 0.00 C ATOM 800 C ASN A 51 -4.250 -8.139 0.357 1.00 0.00 C ATOM 801 O ASN A 51 -3.909 -9.121 -0.291 1.00 0.00 O ATOM 802 CB ASN A 51 -5.533 -9.289 2.312 1.00 0.00 C ATOM 803 CG ASN A 51 -6.969 -8.775 2.306 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.583 -8.641 3.351 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.480 -8.521 1.096 1.00 0.00 N ATOM 0 H ASN A 51 -5.412 -6.742 3.037 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.529 -8.731 2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.472 -10.152 1.649 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.297 -9.641 3.316 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.442 -8.193 1.007 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.908 -8.655 0.262 1.00 0.00 H new ATOM 812 N TYR A 52 -4.385 -6.902 -0.183 1.00 0.00 N ATOM 813 CA TYR A 52 -4.136 -6.733 -1.622 1.00 0.00 C ATOM 814 C TYR A 52 -2.673 -6.327 -1.918 1.00 0.00 C ATOM 815 O TYR A 52 -2.288 -6.222 -3.077 1.00 0.00 O ATOM 816 CB TYR A 52 -5.082 -5.665 -2.188 1.00 0.00 C ATOM 817 CG TYR A 52 -6.363 -6.279 -2.671 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.324 -6.775 -1.805 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.575 -6.381 -4.036 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.457 -7.406 -2.298 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.699 -6.998 -4.546 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.655 -7.533 -3.682 1.00 0.00 C ATOM 823 OH TYR A 52 -9.760 -8.212 -4.189 1.00 0.00 O ATOM 0 H TYR A 52 -4.649 -6.058 0.326 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.319 -7.695 -2.100 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.298 -4.922 -1.420 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.594 -5.141 -3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.190 -6.670 -0.739 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.844 -5.969 -4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.192 -7.802 -1.612 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.839 -7.067 -5.615 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.173 -8.742 -3.476 1.00 0.00 H new ATOM 833 N ILE A 53 -1.893 -6.120 -0.833 1.00 0.00 N ATOM 834 CA ILE A 53 -0.474 -5.760 -0.943 1.00 0.00 C ATOM 835 C ILE A 53 0.348 -6.689 -0.018 1.00 0.00 C ATOM 836 O ILE A 53 -0.170 -7.507 0.731 1.00 0.00 O ATOM 837 CB ILE A 53 -0.236 -4.224 -0.745 1.00 0.00 C ATOM 838 CG1 ILE A 53 0.974 -3.812 0.133 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.487 -3.486 -0.271 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.097 -2.321 0.374 1.00 0.00 C ATOM 0 H ILE A 53 -2.229 -6.198 0.127 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.114 -5.931 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 53 0.021 -3.912 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.897 -4.318 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.889 -4.167 -0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.261 -2.426 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.282 -3.607 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.812 -3.898 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.970 -2.124 0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.208 -1.806 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.202 -1.959 0.879 1.00 0.00 H new ATOM 852 N GLU A 54 1.667 -6.488 -0.171 1.00 0.00 N ATOM 853 CA GLU A 54 2.747 -7.118 0.557 1.00 0.00 C ATOM 854 C GLU A 54 3.665 -5.962 0.998 1.00 0.00 C ATOM 855 O GLU A 54 4.260 -5.274 0.176 1.00 0.00 O ATOM 856 CB GLU A 54 3.486 -8.071 -0.380 1.00 0.00 C ATOM 857 CG GLU A 54 4.753 -8.677 0.241 1.00 0.00 C ATOM 858 CD GLU A 54 5.381 -9.680 -0.734 1.00 0.00 C ATOM 859 OE1 GLU A 54 4.831 -10.770 -0.878 1.00 0.00 O ATOM 860 OE2 GLU A 54 6.400 -9.355 -1.344 1.00 0.00 O ATOM 0 H GLU A 54 2.018 -5.827 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 54 2.403 -7.698 1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.812 -8.877 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.757 -7.536 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.467 -7.888 0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.507 -9.174 1.180 1.00 0.00 H new ATOM 867 N MET A 55 3.725 -5.781 2.336 1.00 0.00 N ATOM 868 CA MET A 55 4.549 -4.706 2.898 1.00 0.00 C ATOM 869 C MET A 55 5.986 -5.187 3.144 1.00 0.00 C ATOM 870 O MET A 55 6.269 -6.378 3.215 1.00 0.00 O ATOM 871 CB MET A 55 3.920 -4.045 4.114 1.00 0.00 C ATOM 872 CG MET A 55 3.499 -5.134 5.045 1.00 0.00 C ATOM 873 SD MET A 55 3.297 -4.590 6.750 1.00 0.00 S ATOM 874 CE MET A 55 2.787 -6.155 7.474 1.00 0.00 C ATOM 0 H MET A 55 3.227 -6.349 3.022 1.00 0.00 H new ATOM 0 HA MET A 55 4.600 -3.914 2.151 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.632 -3.378 4.600 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.064 -3.438 3.821 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.558 -5.557 4.694 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.239 -5.934 5.013 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.611 -6.022 8.542 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.869 -6.496 6.995 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.571 -6.897 7.325 1.00 0.00 H new ATOM 884 N LYS A 56 6.860 -4.164 3.306 1.00 0.00 N ATOM 885 CA LYS A 56 8.283 -4.399 3.534 1.00 0.00 C ATOM 886 C LYS A 56 8.911 -3.211 4.316 1.00 0.00 C ATOM 887 O LYS A 56 9.582 -2.350 3.755 1.00 0.00 O ATOM 888 CB LYS A 56 8.991 -4.569 2.176 1.00 0.00 C ATOM 889 CG LYS A 56 8.499 -5.780 1.362 1.00 0.00 C ATOM 890 CD LYS A 56 9.314 -6.036 0.093 1.00 0.00 C ATOM 891 CE LYS A 56 10.738 -6.515 0.377 1.00 0.00 C ATOM 892 NZ LYS A 56 11.469 -6.745 -0.864 1.00 0.00 N ATOM 0 H LYS A 56 6.595 -3.179 3.281 1.00 0.00 H new ATOM 0 HA LYS A 56 8.407 -5.305 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.846 -3.664 1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.063 -4.670 2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.534 -6.669 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.456 -5.624 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.802 -6.781 -0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.357 -5.119 -0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.262 -5.773 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.707 -7.435 0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.432 -7.069 -0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.979 -7.470 -1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.517 -5.860 -1.408 1.00 0.00 H new ATOM 906 N PRO A 57 8.650 -3.203 5.663 1.00 0.00 N ATOM 907 CA PRO A 57 9.178 -2.178 6.569 1.00 0.00 C ATOM 908 C PRO A 57 10.473 -2.608 7.288 1.00 0.00 C ATOM 909 O PRO A 57 10.741 -2.210 8.416 1.00 0.00 O ATOM 910 CB PRO A 57 8.040 -2.016 7.585 1.00 0.00 C ATOM 911 CG PRO A 57 7.471 -3.434 7.715 1.00 0.00 C ATOM 912 CD PRO A 57 7.627 -4.035 6.316 1.00 0.00 C ATOM 0 HA PRO A 57 9.452 -1.267 6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.406 -1.641 8.541 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.286 -1.312 7.234 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.016 -4.014 8.460 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.426 -3.416 8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.938 -5.078 6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.686 -4.009 5.767 1.00 0.00 H new TER 920 PRO A 57 HETATM 921 C ACE B 0 -6.952 -14.684 -9.959 1.00 0.00 C HETATM 922 O ACE B 0 -7.597 -14.005 -10.748 1.00 0.00 O HETATM 923 CH3 ACE B 0 -5.562 -15.218 -10.300 1.00 0.00 C HETATM 0 H1 ACE B 0 -4.838 -14.831 -9.584 1.00 0.00 H new HETATM 0 H2 ACE B 0 -5.570 -16.307 -10.256 1.00 0.00 H new HETATM 0 H3 ACE B 0 -5.286 -14.898 -11.305 1.00 0.00 H new ATOM 927 N VAL B 1 -7.344 -15.030 -8.717 1.00 0.00 N ATOM 928 CA VAL B 1 -8.595 -14.567 -8.124 1.00 0.00 C ATOM 929 C VAL B 1 -8.244 -13.812 -6.822 1.00 0.00 C ATOM 930 O VAL B 1 -8.115 -14.425 -5.768 1.00 0.00 O ATOM 931 CB VAL B 1 -9.507 -15.781 -7.844 1.00 0.00 C ATOM 932 CG1 VAL B 1 -10.841 -15.367 -7.203 1.00 0.00 C ATOM 933 CG2 VAL B 1 -9.777 -16.582 -9.127 1.00 0.00 C ATOM 0 H VAL B 1 -6.798 -15.637 -8.106 1.00 0.00 H new ATOM 0 HA VAL B 1 -9.132 -13.898 -8.796 1.00 0.00 H new ATOM 0 HB VAL B 1 -8.971 -16.413 -7.135 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -11.449 -16.254 -7.024 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -10.649 -14.862 -6.256 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -11.372 -14.691 -7.873 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -10.422 -17.430 -8.897 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -10.268 -15.941 -9.860 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -8.833 -16.944 -9.535 1.00 0.00 H new ATOM 943 N PRO B 2 -8.082 -12.458 -6.919 1.00 0.00 N ATOM 944 CA PRO B 2 -7.743 -11.643 -5.757 1.00 0.00 C ATOM 945 C PRO B 2 -8.662 -11.823 -4.505 1.00 0.00 C ATOM 946 O PRO B 2 -9.848 -12.109 -4.626 1.00 0.00 O ATOM 947 CB PRO B 2 -7.784 -10.208 -6.281 1.00 0.00 C ATOM 948 CG PRO B 2 -7.564 -10.302 -7.787 1.00 0.00 C ATOM 949 CD PRO B 2 -8.105 -11.681 -8.166 1.00 0.00 C ATOM 0 HA PRO B 2 -6.771 -11.948 -5.369 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.741 -9.738 -6.055 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -7.011 -9.599 -5.811 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.093 -9.509 -8.316 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -6.508 -10.206 -8.041 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.116 -11.611 -8.568 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -7.488 -12.149 -8.933 1.00 0.00 H new ATOM 957 N PRO B 3 -8.042 -11.646 -3.299 1.00 0.00 N ATOM 958 CA PRO B 3 -8.694 -11.769 -1.989 1.00 0.00 C ATOM 959 C PRO B 3 -9.986 -10.965 -1.732 1.00 0.00 C ATOM 960 O PRO B 3 -10.273 -9.980 -2.394 1.00 0.00 O ATOM 961 CB PRO B 3 -7.657 -11.133 -1.038 1.00 0.00 C ATOM 962 CG PRO B 3 -6.298 -11.351 -1.689 1.00 0.00 C ATOM 963 CD PRO B 3 -6.603 -11.394 -3.180 1.00 0.00 C ATOM 0 HA PRO B 3 -8.980 -12.815 -1.876 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.856 -10.071 -0.898 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.696 -11.597 -0.052 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.606 -10.544 -1.447 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.838 -12.279 -1.349 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.332 -10.453 -3.659 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.029 -12.179 -3.672 1.00 0.00 H new ATOM 971 N PRO B 4 -10.759 -11.410 -0.703 1.00 0.00 N ATOM 972 CA PRO B 4 -11.942 -10.670 -0.260 1.00 0.00 C ATOM 973 C PRO B 4 -11.407 -9.559 0.652 1.00 0.00 C ATOM 974 O PRO B 4 -10.760 -9.792 1.667 1.00 0.00 O ATOM 975 CB PRO B 4 -12.747 -11.699 0.538 1.00 0.00 C ATOM 976 CG PRO B 4 -11.705 -12.705 1.044 1.00 0.00 C ATOM 977 CD PRO B 4 -10.579 -12.678 0.003 1.00 0.00 C ATOM 0 HA PRO B 4 -12.554 -10.231 -1.048 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.278 -11.230 1.366 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.496 -12.186 -0.086 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.335 -12.426 2.031 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.133 -13.703 1.135 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.599 -12.732 0.478 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.650 -13.525 -0.679 1.00 0.00 H new ATOM 985 N VAL B 5 -11.697 -8.339 0.181 1.00 0.00 N ATOM 986 CA VAL B 5 -11.250 -7.128 0.846 1.00 0.00 C ATOM 987 C VAL B 5 -11.786 -7.068 2.297 1.00 0.00 C ATOM 988 O VAL B 5 -12.932 -7.433 2.539 1.00 0.00 O ATOM 989 CB VAL B 5 -11.660 -5.908 0.044 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.796 -4.688 0.383 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.624 -6.071 -1.465 1.00 0.00 C ATOM 0 H VAL B 5 -12.243 -8.174 -0.664 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.162 -7.139 0.904 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.700 -5.767 0.340 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.121 -3.835 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.899 -4.452 1.442 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.752 -4.908 0.161 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.935 -5.140 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.610 -6.317 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.301 -6.873 -1.761 1.00 0.00 H new ATOM 1001 N PRO B 6 -10.937 -6.604 3.257 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.359 -6.510 4.648 1.00 0.00 C ATOM 1003 C PRO B 6 -12.607 -5.636 4.871 1.00 0.00 C ATOM 1004 O PRO B 6 -12.840 -4.675 4.150 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.182 -5.831 5.363 1.00 0.00 C ATOM 1006 CG PRO B 6 -8.969 -6.041 4.462 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.546 -6.198 3.053 1.00 0.00 C ATOM 0 HA PRO B 6 -11.618 -7.505 5.011 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.377 -4.769 5.515 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.018 -6.269 6.348 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.285 -5.194 4.517 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.405 -6.925 4.759 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.485 -5.264 2.495 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -8.996 -6.946 2.482 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.407 -5.996 5.910 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.580 -5.205 6.246 1.00 0.00 C ATOM 1017 C PRO B 7 -14.105 -3.973 7.039 1.00 0.00 C ATOM 1018 O PRO B 7 -13.733 -4.055 8.205 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.389 -6.130 7.152 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.346 -7.053 7.801 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.220 -7.164 6.767 1.00 0.00 C ATOM 0 HA PRO B 7 -15.154 -4.862 5.385 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.940 -5.565 7.904 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.122 -6.701 6.582 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.981 -6.637 8.740 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -14.771 -8.031 8.029 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.239 -7.156 7.243 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.291 -8.091 6.198 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.135 -2.838 6.317 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.705 -1.568 6.892 1.00 0.00 C ATOM 1031 C ARG B 8 -14.883 -0.981 7.687 1.00 0.00 C ATOM 1032 O ARG B 8 -15.999 -0.871 7.192 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.048 -0.686 5.818 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.919 0.178 4.906 1.00 0.00 C ATOM 1035 CD ARG B 8 -14.835 -0.617 3.967 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.658 0.304 3.195 1.00 0.00 N ATOM 1037 CZ ARG B 8 -16.722 0.934 3.731 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -17.116 0.682 4.975 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -17.389 1.822 3.007 1.00 0.00 N ATOM 0 H ARG B 8 -14.449 -2.782 5.348 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.902 -1.676 7.622 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.350 -0.021 6.326 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.456 -1.340 5.178 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -14.533 0.833 5.524 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -13.272 0.819 4.307 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -14.238 -1.236 3.298 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -15.468 -1.291 4.544 1.00 0.00 H new ATOM 0 HE ARG B 8 -15.422 0.478 2.218 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -16.611 0.001 5.542 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -17.924 1.169 5.363 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -17.096 2.024 2.051 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -18.195 2.303 3.406 1.00 0.00 H new ATOM 1053 N ARG B 9 -14.534 -0.664 8.951 1.00 0.00 N ATOM 1054 CA ARG B 9 -15.389 -0.164 10.005 1.00 0.00 C ATOM 1055 C ARG B 9 -15.831 -1.374 10.852 1.00 0.00 C ATOM 1056 O ARG B 9 -16.944 -1.876 10.753 1.00 0.00 O ATOM 1057 CB ARG B 9 -16.552 0.707 9.520 1.00 0.00 C ATOM 1058 CG ARG B 9 -16.795 1.802 10.550 1.00 0.00 C ATOM 1059 CD ARG B 9 -18.199 2.420 10.541 1.00 0.00 C ATOM 1060 NE ARG B 9 -18.634 2.746 9.184 1.00 0.00 N ATOM 1061 CZ ARG B 9 -19.470 1.974 8.455 1.00 0.00 C ATOM 1062 NH1 ARG B 9 -19.952 0.828 8.926 1.00 0.00 N ATOM 1063 NH2 ARG B 9 -19.819 2.370 7.240 1.00 0.00 N ATOM 0 H ARG B 9 -13.570 -0.765 9.268 1.00 0.00 H new ATOM 0 HA ARG B 9 -14.824 0.535 10.622 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -16.319 1.145 8.549 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -17.450 0.103 9.390 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -16.604 1.392 11.542 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -16.067 2.597 10.388 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -18.906 1.725 10.993 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -18.204 3.323 11.152 1.00 0.00 H new ATOM 0 HE ARG B 9 -18.286 3.607 8.762 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -19.692 0.511 9.860 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -20.581 0.266 8.353 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -19.457 3.247 6.866 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -20.449 1.797 6.678 1.00 0.00 H new ATOM 1077 N ARG B 10 -14.843 -1.773 11.684 1.00 0.00 N ATOM 1078 CA ARG B 10 -14.847 -2.891 12.630 1.00 0.00 C ATOM 1079 C ARG B 10 -16.229 -3.170 13.237 1.00 0.00 C ATOM 1080 O ARG B 10 -16.816 -4.236 13.105 1.00 0.00 O ATOM 1081 CB ARG B 10 -13.781 -2.642 13.718 1.00 0.00 C ATOM 1082 CG ARG B 10 -12.361 -2.402 13.174 1.00 0.00 C ATOM 1083 CD ARG B 10 -11.648 -3.662 12.653 1.00 0.00 C ATOM 1084 NE ARG B 10 -11.462 -4.625 13.738 1.00 0.00 N ATOM 1085 CZ ARG B 10 -10.519 -4.461 14.691 1.00 0.00 C ATOM 1086 NH1 ARG B 10 -9.671 -3.441 14.640 1.00 0.00 N ATOM 1087 NH2 ARG B 10 -10.447 -5.327 15.695 1.00 0.00 N ATOM 0 H ARG B 10 -13.953 -1.275 11.706 1.00 0.00 H new ATOM 0 HA ARG B 10 -14.595 -3.796 12.077 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -14.080 -1.778 14.312 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -13.759 -3.499 14.391 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -12.415 -1.672 12.366 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -11.755 -1.959 13.964 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -12.233 -4.114 11.852 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -10.681 -3.392 12.228 1.00 0.00 H new ATOM 0 HE ARG B 10 -12.064 -5.447 13.776 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -9.727 -2.769 13.875 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -8.964 -3.329 15.366 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -11.101 -6.109 15.742 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -9.738 -5.211 16.419 1.00 0.00 H new HETATM 1101 N NH2 B 11 -16.665 -2.120 13.923 1.00 0.00 N TER 1104 NH2 B 11