USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 435 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 5 TYR OH : rot -38:sc= 2.16 USER MOD Set 1.2: A 60 THR OG1 : rot 111:sc= 0.797 USER MOD Set 2.1: A 20 ASN : amide:sc= -0.0617 K(o=0.91,f=-1.7) USER MOD Set 2.2: A 23 ASN : amide:sc= 0.972 K(o=0.91,f=-1.2) USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 1.09 USER MOD Set 3.2: A 12 LYS NZ :NH3+ -179:sc= 2.36 (180deg=1.02) USER MOD Single : A 1 LYS N :NH3+ -130:sc= 0.774 (180deg=-1.34) USER MOD Single : A 1 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00889) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 0.924 (180deg=0.861) USER MOD Single : A 3 ASN : amide:sc= 0.232 K(o=0.23,f=-0.85) USER MOD Single : A 9 SER OG : rot 94:sc= 1.14 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.595 K(o=-0.59,f=-3.7) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0217) USER MOD Single : A 30 TYR OH : rot 2:sc= 1.22 USER MOD Single : A 31 TYR OH : rot 39:sc= 1.21 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.123 USER MOD Single : A 36 TYR OH : rot -108:sc= 0.96 USER MOD Single : A 41 SER OG : rot -121:sc= 0.34 USER MOD Single : A 43 TYR OH : rot -170:sc= 0.451 USER MOD Single : A 51 LYS NZ :NH3+ -131:sc= 3.56 (180deg=-1.06) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= -0.654 (180deg=-0.858) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= 0.676 (180deg=0.431) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 1.18 K(o=1.2,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 8.809 -0.193 -8.338 1.00 0.00 N ATOM 2 CA LYS A 1 8.320 0.788 -9.290 1.00 0.00 C ATOM 3 C LYS A 1 8.067 2.123 -8.591 1.00 0.00 C ATOM 4 O LYS A 1 8.690 3.123 -8.941 1.00 0.00 O ATOM 5 CB LYS A 1 7.045 0.299 -10.001 1.00 0.00 C ATOM 6 CG LYS A 1 7.327 -0.531 -11.259 1.00 0.00 C ATOM 7 CD LYS A 1 8.083 -1.819 -10.919 1.00 0.00 C ATOM 8 CE LYS A 1 8.131 -2.824 -12.078 1.00 0.00 C ATOM 9 NZ LYS A 1 8.743 -2.262 -13.295 1.00 0.00 N ATOM 0 H1 LYS A 1 9.665 -0.647 -8.716 1.00 0.00 H new ATOM 0 H2 LYS A 1 9.035 0.278 -7.439 1.00 0.00 H new ATOM 0 H3 LYS A 1 8.077 -0.914 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 1 9.088 0.928 -10.051 1.00 0.00 H new ATOM 0 HB2 LYS A 1 6.457 -0.299 -9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 1 6.437 1.162 -10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.387 -0.778 -11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.911 0.061 -11.964 1.00 0.00 H new ATOM 0 HD2 LYS A 1 9.102 -1.566 -10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.611 -2.292 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 1 8.694 -3.704 -11.767 1.00 0.00 H new ATOM 0 HE3 LYS A 1 7.119 -3.157 -12.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 8.796 -2.997 -14.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 8.165 -1.470 -13.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 9.701 -1.922 -13.076 1.00 0.00 H new ATOM 19 N LYS A 2 7.100 2.162 -7.670 1.00 0.00 N ATOM 20 CA LYS A 2 6.516 3.417 -7.228 1.00 0.00 C ATOM 21 C LYS A 2 6.066 3.273 -5.777 1.00 0.00 C ATOM 22 O LYS A 2 6.673 2.509 -5.038 1.00 0.00 O ATOM 23 CB LYS A 2 5.390 3.749 -8.218 1.00 0.00 C ATOM 24 CG LYS A 2 4.457 2.550 -8.494 1.00 0.00 C ATOM 25 CD LYS A 2 3.058 2.703 -7.921 1.00 0.00 C ATOM 26 CE LYS A 2 2.241 3.812 -8.601 1.00 0.00 C ATOM 27 NZ LYS A 2 1.165 4.307 -7.719 1.00 0.00 N ATOM 0 H LYS A 2 6.709 1.334 -7.220 1.00 0.00 H new ATOM 0 HA LYS A 2 7.219 4.250 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.801 4.578 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.827 4.086 -9.158 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.382 2.403 -9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.910 1.649 -8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.527 1.757 -8.021 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.131 2.917 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.900 4.637 -8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.809 3.432 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.560 4.968 -8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.593 3.505 -7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.583 4.797 -6.903 1.00 0.00 H new ATOM 37 N ASN A 3 4.996 3.958 -5.366 1.00 0.00 N ATOM 38 CA ASN A 3 4.285 3.692 -4.123 1.00 0.00 C ATOM 39 C ASN A 3 2.809 3.700 -4.497 1.00 0.00 C ATOM 40 O ASN A 3 2.390 4.512 -5.331 1.00 0.00 O ATOM 41 CB ASN A 3 4.513 4.803 -3.102 1.00 0.00 C ATOM 42 CG ASN A 3 5.933 5.294 -2.913 1.00 0.00 C ATOM 43 OD1 ASN A 3 6.921 4.583 -3.066 1.00 0.00 O ATOM 44 ND2 ASN A 3 6.016 6.562 -2.553 1.00 0.00 N ATOM 0 H ASN A 3 4.595 4.728 -5.902 1.00 0.00 H new ATOM 0 HA ASN A 3 4.625 2.754 -3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.897 5.655 -3.388 1.00 0.00 H new ATOM 0 HB3 ASN A 3 4.146 4.454 -2.137 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.929 6.987 -2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.167 7.116 -2.438 1.00 0.00 H new ATOM 50 N GLY A 4 2.023 2.757 -3.993 1.00 0.00 N ATOM 51 CA GLY A 4 0.673 2.556 -4.478 1.00 0.00 C ATOM 52 C GLY A 4 -0.046 1.547 -3.611 1.00 0.00 C ATOM 53 O GLY A 4 0.551 1.004 -2.678 1.00 0.00 O ATOM 0 H GLY A 4 2.303 2.120 -3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.132 3.502 -4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.697 2.208 -5.511 1.00 0.00 H new ATOM 57 N TYR A 5 -1.322 1.301 -3.930 1.00 0.00 N ATOM 58 CA TYR A 5 -2.084 0.258 -3.275 1.00 0.00 C ATOM 59 C TYR A 5 -1.785 -1.086 -3.912 1.00 0.00 C ATOM 60 O TYR A 5 -2.269 -1.354 -5.007 1.00 0.00 O ATOM 61 CB TYR A 5 -3.596 0.543 -3.268 1.00 0.00 C ATOM 62 CG TYR A 5 -4.205 1.594 -2.350 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.491 2.172 -1.287 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.481 2.105 -2.663 1.00 0.00 C ATOM 65 CE1 TYR A 5 -3.918 3.401 -0.749 1.00 0.00 C ATOM 66 CE2 TYR A 5 -5.860 3.379 -2.199 1.00 0.00 C ATOM 67 CZ TYR A 5 -5.040 4.057 -1.284 1.00 0.00 C ATOM 68 OH TYR A 5 -5.322 5.344 -0.916 1.00 0.00 O ATOM 0 H TYR A 5 -1.840 1.817 -4.641 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.772 0.235 -2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.871 0.815 -4.287 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.095 -0.400 -3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.620 1.676 -0.885 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.167 1.520 -3.258 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.381 3.841 0.078 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -6.777 3.832 -2.545 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.124 5.463 0.036 1.00 0.00 H new ATOM 77 N ALA A 6 -0.997 -1.921 -3.231 1.00 0.00 N ATOM 78 CA ALA A 6 -0.646 -3.226 -3.767 1.00 0.00 C ATOM 79 C ALA A 6 -1.813 -4.186 -3.572 1.00 0.00 C ATOM 80 O ALA A 6 -2.558 -4.059 -2.601 1.00 0.00 O ATOM 81 CB ALA A 6 0.590 -3.776 -3.058 1.00 0.00 C ATOM 0 H ALA A 6 -0.596 -1.714 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.427 -3.124 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.841 -4.754 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.428 -3.094 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.385 -3.873 -1.992 1.00 0.00 H new ATOM 87 N VAL A 7 -1.940 -5.167 -4.465 1.00 0.00 N ATOM 88 CA VAL A 7 -2.804 -6.316 -4.250 1.00 0.00 C ATOM 89 C VAL A 7 -2.051 -7.610 -4.529 1.00 0.00 C ATOM 90 O VAL A 7 -0.998 -7.607 -5.161 1.00 0.00 O ATOM 91 CB VAL A 7 -4.075 -6.224 -5.103 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.097 -5.322 -4.400 1.00 0.00 C ATOM 93 CG2 VAL A 7 -3.822 -5.793 -6.554 1.00 0.00 C ATOM 0 H VAL A 7 -1.445 -5.183 -5.356 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.110 -6.317 -3.204 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.483 -7.231 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.001 -5.256 -5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.343 -5.742 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.674 -4.326 -4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.769 -5.752 -7.092 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.355 -4.808 -6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.162 -6.513 -7.037 1.00 0.00 H new ATOM 103 N ASP A 8 -2.618 -8.714 -4.036 1.00 0.00 N ATOM 104 CA ASP A 8 -2.117 -10.052 -4.285 1.00 0.00 C ATOM 105 C ASP A 8 -2.703 -10.615 -5.564 1.00 0.00 C ATOM 106 O ASP A 8 -3.426 -9.959 -6.310 1.00 0.00 O ATOM 107 CB ASP A 8 -2.520 -10.984 -3.131 1.00 0.00 C ATOM 108 CG ASP A 8 -1.386 -11.924 -2.770 1.00 0.00 C ATOM 109 OD1 ASP A 8 -1.237 -12.919 -3.515 1.00 0.00 O ATOM 110 OD2 ASP A 8 -0.673 -11.586 -1.800 1.00 0.00 O ATOM 0 H ASP A 8 -3.449 -8.694 -3.445 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.032 -9.992 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.797 -10.391 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.399 -11.562 -3.416 1.00 0.00 H new ATOM 114 N SER A 9 -2.557 -11.928 -5.661 1.00 0.00 N ATOM 115 CA SER A 9 -3.140 -12.857 -6.589 1.00 0.00 C ATOM 116 C SER A 9 -4.668 -12.972 -6.448 1.00 0.00 C ATOM 117 O SER A 9 -5.234 -13.981 -6.861 1.00 0.00 O ATOM 118 CB SER A 9 -2.483 -14.203 -6.250 1.00 0.00 C ATOM 119 OG SER A 9 -1.109 -14.066 -5.913 1.00 0.00 O ATOM 0 H SER A 9 -1.949 -12.417 -5.004 1.00 0.00 H new ATOM 0 HA SER A 9 -2.969 -12.531 -7.615 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.014 -14.664 -5.417 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.580 -14.876 -7.102 1.00 0.00 H new ATOM 0 HG SER A 9 -1.017 -13.985 -4.941 1.00 0.00 H new ATOM 124 N SER A 10 -5.344 -11.993 -5.830 1.00 0.00 N ATOM 125 CA SER A 10 -6.791 -12.033 -5.635 1.00 0.00 C ATOM 126 C SER A 10 -7.442 -10.641 -5.577 1.00 0.00 C ATOM 127 O SER A 10 -8.609 -10.508 -5.944 1.00 0.00 O ATOM 128 CB SER A 10 -7.130 -12.877 -4.397 1.00 0.00 C ATOM 129 OG SER A 10 -8.450 -13.385 -4.495 1.00 0.00 O ATOM 0 H SER A 10 -4.900 -11.155 -5.454 1.00 0.00 H new ATOM 0 HA SER A 10 -7.221 -12.509 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.422 -13.701 -4.305 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.032 -12.270 -3.497 1.00 0.00 H new ATOM 0 HG SER A 10 -8.654 -13.922 -3.701 1.00 0.00 H new ATOM 134 N GLY A 11 -6.747 -9.613 -5.081 1.00 0.00 N ATOM 135 CA GLY A 11 -7.233 -8.242 -5.124 1.00 0.00 C ATOM 136 C GLY A 11 -8.493 -8.040 -4.291 1.00 0.00 C ATOM 137 O GLY A 11 -9.489 -7.498 -4.762 1.00 0.00 O ATOM 0 H GLY A 11 -5.833 -9.714 -4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.452 -7.572 -4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.438 -7.965 -6.158 1.00 0.00 H new ATOM 141 N LYS A 12 -8.403 -8.437 -3.021 1.00 0.00 N ATOM 142 CA LYS A 12 -9.115 -7.788 -1.928 1.00 0.00 C ATOM 143 C LYS A 12 -8.049 -6.957 -1.207 1.00 0.00 C ATOM 144 O LYS A 12 -6.861 -7.246 -1.358 1.00 0.00 O ATOM 145 CB LYS A 12 -9.749 -8.831 -0.992 1.00 0.00 C ATOM 146 CG LYS A 12 -11.158 -9.277 -1.422 1.00 0.00 C ATOM 147 CD LYS A 12 -11.277 -9.858 -2.841 1.00 0.00 C ATOM 148 CE LYS A 12 -10.430 -11.124 -3.022 1.00 0.00 C ATOM 149 NZ LYS A 12 -10.451 -11.616 -4.414 1.00 0.00 N ATOM 0 H LYS A 12 -7.828 -9.225 -2.723 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.940 -7.168 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.100 -9.705 -0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.801 -8.418 0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.513 -10.025 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.828 -8.421 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.321 -10.089 -3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.964 -9.107 -3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.401 -10.916 -2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.800 -11.905 -2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.879 -12.482 -4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.431 -11.824 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.058 -10.889 -5.045 1.00 0.00 H new ATOM 159 N VAL A 13 -8.461 -5.917 -0.478 1.00 0.00 N ATOM 160 CA VAL A 13 -7.554 -4.938 0.110 1.00 0.00 C ATOM 161 C VAL A 13 -7.500 -5.091 1.630 1.00 0.00 C ATOM 162 O VAL A 13 -8.532 -5.245 2.281 1.00 0.00 O ATOM 163 CB VAL A 13 -7.962 -3.514 -0.305 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.856 -3.351 -1.823 1.00 0.00 C ATOM 165 CG2 VAL A 13 -9.370 -3.107 0.151 1.00 0.00 C ATOM 0 H VAL A 13 -9.444 -5.732 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.549 -5.120 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.264 -2.850 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.148 -2.338 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.828 -3.532 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.516 -4.067 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.580 -2.090 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.103 -3.789 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.428 -3.152 1.239 1.00 0.00 H new ATOM 175 N SER A 14 -6.292 -5.033 2.196 1.00 0.00 N ATOM 176 CA SER A 14 -6.088 -5.076 3.633 1.00 0.00 C ATOM 177 C SER A 14 -6.209 -3.660 4.194 1.00 0.00 C ATOM 178 O SER A 14 -5.224 -2.928 4.212 1.00 0.00 O ATOM 179 CB SER A 14 -4.723 -5.697 3.950 1.00 0.00 C ATOM 180 OG SER A 14 -4.599 -6.938 3.280 1.00 0.00 O ATOM 0 H SER A 14 -5.427 -4.954 1.661 1.00 0.00 H new ATOM 0 HA SER A 14 -6.848 -5.700 4.104 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.925 -5.023 3.639 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.618 -5.841 5.025 1.00 0.00 H new ATOM 0 HG SER A 14 -3.725 -7.333 3.482 1.00 0.00 H new ATOM 185 N GLU A 15 -7.416 -3.296 4.636 1.00 0.00 N ATOM 186 CA GLU A 15 -7.722 -2.097 5.397 1.00 0.00 C ATOM 187 C GLU A 15 -6.716 -1.932 6.543 1.00 0.00 C ATOM 188 O GLU A 15 -5.784 -1.140 6.432 1.00 0.00 O ATOM 189 CB GLU A 15 -9.183 -2.257 5.854 1.00 0.00 C ATOM 190 CG GLU A 15 -9.655 -1.250 6.910 1.00 0.00 C ATOM 191 CD GLU A 15 -9.927 -1.871 8.282 1.00 0.00 C ATOM 192 OE1 GLU A 15 -9.380 -2.969 8.535 1.00 0.00 O ATOM 193 OE2 GLU A 15 -10.687 -1.243 9.048 1.00 0.00 O ATOM 0 H GLU A 15 -8.244 -3.864 4.460 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.630 -1.179 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.830 -2.173 4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.313 -3.263 6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.900 -0.471 7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.564 -0.765 6.555 1.00 0.00 H new ATOM 198 N CYS A 16 -6.920 -2.698 7.616 1.00 0.00 N ATOM 199 CA CYS A 16 -6.136 -2.744 8.846 1.00 0.00 C ATOM 200 C CYS A 16 -6.061 -1.410 9.588 1.00 0.00 C ATOM 201 O CYS A 16 -6.605 -0.397 9.157 1.00 0.00 O ATOM 202 CB CYS A 16 -4.776 -3.449 8.669 1.00 0.00 C ATOM 203 SG CYS A 16 -3.443 -2.671 7.711 1.00 0.00 S ATOM 0 H CYS A 16 -7.701 -3.354 7.647 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.701 -3.385 9.523 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.383 -3.641 9.667 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.975 -4.419 8.212 1.00 0.00 H new ATOM 207 N LEU A 17 -5.411 -1.440 10.756 1.00 0.00 N ATOM 208 CA LEU A 17 -5.201 -0.289 11.626 1.00 0.00 C ATOM 209 C LEU A 17 -3.705 -0.136 11.916 1.00 0.00 C ATOM 210 O LEU A 17 -3.121 0.931 11.738 1.00 0.00 O ATOM 211 CB LEU A 17 -5.979 -0.483 12.937 1.00 0.00 C ATOM 212 CG LEU A 17 -7.489 -0.717 12.753 1.00 0.00 C ATOM 213 CD1 LEU A 17 -8.112 -1.080 14.104 1.00 0.00 C ATOM 214 CD2 LEU A 17 -8.197 0.520 12.190 1.00 0.00 C ATOM 0 H LEU A 17 -5.005 -2.298 11.130 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.562 0.613 11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.555 -1.331 13.474 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.834 0.396 13.565 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.615 -1.530 12.039 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.182 -1.247 13.978 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.646 -1.988 14.487 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.952 -0.264 14.809 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.261 0.310 12.076 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.064 1.358 12.874 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.771 0.773 11.219 1.00 0.00 H new ATOM 225 N LEU A 18 -3.066 -1.209 12.391 1.00 0.00 N ATOM 226 CA LEU A 18 -1.696 -1.158 12.868 1.00 0.00 C ATOM 227 C LEU A 18 -0.721 -1.211 11.690 1.00 0.00 C ATOM 228 O LEU A 18 -0.148 -2.259 11.399 1.00 0.00 O ATOM 229 CB LEU A 18 -1.465 -2.267 13.901 1.00 0.00 C ATOM 230 CG LEU A 18 -1.935 -3.651 13.420 1.00 0.00 C ATOM 231 CD1 LEU A 18 -0.821 -4.665 13.658 1.00 0.00 C ATOM 232 CD2 LEU A 18 -3.201 -4.099 14.161 1.00 0.00 C ATOM 0 H LEU A 18 -3.491 -2.134 12.452 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.510 -0.211 13.375 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.403 -2.315 14.142 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.990 -2.012 14.822 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.170 -3.587 12.358 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.146 -5.649 13.320 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.068 -4.366 13.103 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.588 -4.706 14.722 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.507 -5.080 13.798 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.996 -4.155 15.230 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.001 -3.380 13.982 1.00 0.00 H new ATOM 243 N ASN A 19 -0.531 -0.058 11.044 1.00 0.00 N ATOM 244 CA ASN A 19 0.369 0.254 9.938 1.00 0.00 C ATOM 245 C ASN A 19 1.487 -0.758 9.688 1.00 0.00 C ATOM 246 O ASN A 19 1.615 -1.263 8.571 1.00 0.00 O ATOM 247 CB ASN A 19 0.945 1.652 10.185 1.00 0.00 C ATOM 248 CG ASN A 19 -0.049 2.766 9.898 1.00 0.00 C ATOM 249 OD1 ASN A 19 -1.136 2.526 9.383 1.00 0.00 O ATOM 250 ND2 ASN A 19 0.336 4.001 10.194 1.00 0.00 N ATOM 0 H ASN A 19 -1.064 0.768 11.316 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.224 0.210 9.025 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.274 1.725 11.222 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.827 1.791 9.560 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.280 4.789 9.994 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.248 4.162 10.622 1.00 0.00 H new ATOM 256 N ASN A 20 2.290 -1.041 10.721 1.00 0.00 N ATOM 257 CA ASN A 20 3.345 -2.051 10.692 1.00 0.00 C ATOM 258 C ASN A 20 2.930 -3.278 9.877 1.00 0.00 C ATOM 259 O ASN A 20 3.661 -3.671 8.975 1.00 0.00 O ATOM 260 CB ASN A 20 3.724 -2.470 12.118 1.00 0.00 C ATOM 261 CG ASN A 20 4.750 -3.608 12.130 1.00 0.00 C ATOM 262 OD1 ASN A 20 5.530 -3.775 11.197 1.00 0.00 O ATOM 263 ND2 ASN A 20 4.751 -4.413 13.187 1.00 0.00 N ATOM 0 H ASN A 20 2.219 -0.561 11.618 1.00 0.00 H new ATOM 0 HA ASN A 20 4.213 -1.605 10.207 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.130 -1.611 12.652 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.828 -2.784 12.653 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.410 -5.190 13.236 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.093 -4.254 13.950 1.00 0.00 H new ATOM 269 N TYR A 21 1.760 -3.850 10.174 1.00 0.00 N ATOM 270 CA TYR A 21 1.186 -4.990 9.469 1.00 0.00 C ATOM 271 C TYR A 21 1.272 -4.818 7.955 1.00 0.00 C ATOM 272 O TYR A 21 1.787 -5.684 7.249 1.00 0.00 O ATOM 273 CB TYR A 21 -0.278 -5.164 9.896 1.00 0.00 C ATOM 274 CG TYR A 21 -1.012 -6.283 9.180 1.00 0.00 C ATOM 275 CD1 TYR A 21 -1.691 -6.026 7.974 1.00 0.00 C ATOM 276 CD2 TYR A 21 -0.990 -7.589 9.704 1.00 0.00 C ATOM 277 CE1 TYR A 21 -2.332 -7.072 7.289 1.00 0.00 C ATOM 278 CE2 TYR A 21 -1.646 -8.631 9.026 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.312 -8.373 7.816 1.00 0.00 C ATOM 280 OH TYR A 21 -2.945 -9.378 7.148 1.00 0.00 O ATOM 0 H TYR A 21 1.170 -3.519 10.937 1.00 0.00 H new ATOM 0 HA TYR A 21 1.759 -5.879 9.731 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.311 -5.353 10.969 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.808 -4.228 9.721 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.719 -5.023 7.575 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.469 -7.791 10.628 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.840 -6.875 6.357 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.638 -9.630 9.435 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.838 -10.217 7.642 1.00 0.00 H new ATOM 289 N CYS A 22 0.749 -3.702 7.444 1.00 0.00 N ATOM 290 CA CYS A 22 0.669 -3.495 6.011 1.00 0.00 C ATOM 291 C CYS A 22 2.075 -3.385 5.446 1.00 0.00 C ATOM 292 O CYS A 22 2.387 -4.054 4.471 1.00 0.00 O ATOM 293 CB CYS A 22 -0.194 -2.278 5.671 1.00 0.00 C ATOM 294 SG CYS A 22 -1.722 -2.706 4.810 1.00 0.00 S ATOM 0 H CYS A 22 0.378 -2.935 8.005 1.00 0.00 H new ATOM 0 HA CYS A 22 0.178 -4.350 5.546 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.440 -1.747 6.591 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.384 -1.592 5.052 1.00 0.00 H new ATOM 298 N ASN A 23 2.945 -2.607 6.094 1.00 0.00 N ATOM 299 CA ASN A 23 4.367 -2.565 5.756 1.00 0.00 C ATOM 300 C ASN A 23 4.972 -3.980 5.735 1.00 0.00 C ATOM 301 O ASN A 23 5.766 -4.305 4.851 1.00 0.00 O ATOM 302 CB ASN A 23 5.093 -1.612 6.724 1.00 0.00 C ATOM 303 CG ASN A 23 6.400 -2.166 7.278 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.471 -1.877 6.759 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.325 -2.949 8.350 1.00 0.00 N ATOM 0 H ASN A 23 2.684 -1.991 6.864 1.00 0.00 H new ATOM 0 HA ASN A 23 4.496 -2.172 4.747 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.298 -0.674 6.208 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.428 -1.380 7.556 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.176 -3.329 8.765 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.416 -3.170 8.758 1.00 0.00 H new ATOM 311 N ASN A 24 4.598 -4.830 6.692 1.00 0.00 N ATOM 312 CA ASN A 24 5.113 -6.166 6.825 1.00 0.00 C ATOM 313 C ASN A 24 4.762 -6.984 5.591 1.00 0.00 C ATOM 314 O ASN A 24 5.649 -7.538 4.959 1.00 0.00 O ATOM 315 CB ASN A 24 4.539 -6.783 8.099 1.00 0.00 C ATOM 316 CG ASN A 24 5.551 -7.728 8.705 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.551 -8.927 8.448 1.00 0.00 O ATOM 318 ND2 ASN A 24 6.443 -7.158 9.505 1.00 0.00 N ATOM 0 H ASN A 24 3.911 -4.589 7.407 1.00 0.00 H new ATOM 0 HA ASN A 24 6.200 -6.152 6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.286 -5.999 8.813 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.617 -7.318 7.872 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.173 -7.723 9.939 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.398 -6.155 9.686 1.00 0.00 H new ATOM 324 N ILE A 25 3.480 -7.038 5.221 1.00 0.00 N ATOM 325 CA ILE A 25 3.024 -7.758 4.040 1.00 0.00 C ATOM 326 C ILE A 25 3.706 -7.195 2.788 1.00 0.00 C ATOM 327 O ILE A 25 4.187 -7.939 1.933 1.00 0.00 O ATOM 328 CB ILE A 25 1.495 -7.604 3.955 1.00 0.00 C ATOM 329 CG1 ILE A 25 0.777 -8.162 5.197 1.00 0.00 C ATOM 330 CG2 ILE A 25 0.935 -8.219 2.670 1.00 0.00 C ATOM 331 CD1 ILE A 25 0.656 -9.688 5.234 1.00 0.00 C ATOM 0 H ILE A 25 2.729 -6.580 5.738 1.00 0.00 H new ATOM 0 HA ILE A 25 3.283 -8.815 4.107 1.00 0.00 H new ATOM 0 HB ILE A 25 1.295 -6.533 3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.311 -7.832 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.223 -7.730 5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.147 -8.090 2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.378 -7.723 1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.175 -9.282 2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.137 -9.990 6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.093 -10.030 4.365 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.651 -10.132 5.219 1.00 0.00 H new ATOM 342 N CYS A 26 3.730 -5.866 2.697 1.00 0.00 N ATOM 343 CA CYS A 26 4.309 -5.093 1.609 1.00 0.00 C ATOM 344 C CYS A 26 5.718 -5.570 1.292 1.00 0.00 C ATOM 345 O CYS A 26 6.002 -5.902 0.144 1.00 0.00 O ATOM 346 CB CYS A 26 4.298 -3.601 1.955 1.00 0.00 C ATOM 347 SG CYS A 26 2.721 -2.772 1.716 1.00 0.00 S ATOM 0 H CYS A 26 3.324 -5.272 3.420 1.00 0.00 H new ATOM 0 HA CYS A 26 3.701 -5.244 0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.598 -3.484 2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.051 -3.098 1.348 1.00 0.00 H new ATOM 351 N THR A 27 6.600 -5.623 2.286 1.00 0.00 N ATOM 352 CA THR A 27 7.948 -6.125 2.040 1.00 0.00 C ATOM 353 C THR A 27 7.933 -7.648 1.864 1.00 0.00 C ATOM 354 O THR A 27 8.593 -8.172 0.975 1.00 0.00 O ATOM 355 CB THR A 27 8.933 -5.608 3.100 1.00 0.00 C ATOM 356 OG1 THR A 27 10.262 -5.937 2.756 1.00 0.00 O ATOM 357 CG2 THR A 27 8.626 -6.163 4.482 1.00 0.00 C ATOM 0 H THR A 27 6.413 -5.333 3.246 1.00 0.00 H new ATOM 0 HA THR A 27 8.319 -5.728 1.095 1.00 0.00 H new ATOM 0 HB THR A 27 8.819 -4.524 3.129 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.872 -5.597 3.444 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.347 -5.771 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.620 -5.865 4.778 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.691 -7.251 4.460 1.00 0.00 H new ATOM 365 N LYS A 28 7.163 -8.370 2.684 1.00 0.00 N ATOM 366 CA LYS A 28 7.194 -9.824 2.752 1.00 0.00 C ATOM 367 C LYS A 28 6.921 -10.466 1.391 1.00 0.00 C ATOM 368 O LYS A 28 7.616 -11.408 1.007 1.00 0.00 O ATOM 369 CB LYS A 28 6.180 -10.325 3.798 1.00 0.00 C ATOM 370 CG LYS A 28 6.226 -11.841 4.042 1.00 0.00 C ATOM 371 CD LYS A 28 7.524 -12.260 4.751 1.00 0.00 C ATOM 372 CE LYS A 28 7.572 -13.768 5.036 1.00 0.00 C ATOM 373 NZ LYS A 28 7.648 -14.568 3.795 1.00 0.00 N ATOM 0 H LYS A 28 6.492 -7.949 3.327 1.00 0.00 H new ATOM 0 HA LYS A 28 8.198 -10.121 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.363 -9.811 4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.176 -10.050 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.368 -12.139 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.145 -12.366 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.378 -11.982 4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.616 -11.712 5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.435 -13.990 5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.685 -14.058 5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.730 -15.576 4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.788 -14.416 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.480 -14.276 3.244 1.00 0.00 H new ATOM 383 N VAL A 29 5.856 -10.021 0.718 1.00 0.00 N ATOM 384 CA VAL A 29 5.297 -10.626 -0.453 1.00 0.00 C ATOM 385 C VAL A 29 5.567 -9.731 -1.664 1.00 0.00 C ATOM 386 O VAL A 29 6.090 -10.194 -2.672 1.00 0.00 O ATOM 387 CB VAL A 29 3.803 -10.807 -0.150 1.00 0.00 C ATOM 388 CG1 VAL A 29 3.111 -11.353 -1.378 1.00 0.00 C ATOM 389 CG2 VAL A 29 3.568 -11.776 1.018 1.00 0.00 C ATOM 0 H VAL A 29 5.348 -9.185 1.006 1.00 0.00 H new ATOM 0 HA VAL A 29 5.738 -11.593 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 29 3.399 -9.833 0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.049 -11.484 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.235 -10.655 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.549 -12.314 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.498 -11.875 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.986 -12.752 0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.053 -11.390 1.914 1.00 0.00 H new ATOM 399 N TYR A 30 5.169 -8.459 -1.595 1.00 0.00 N ATOM 400 CA TYR A 30 5.194 -7.568 -2.731 1.00 0.00 C ATOM 401 C TYR A 30 6.557 -6.912 -2.939 1.00 0.00 C ATOM 402 O TYR A 30 6.818 -6.418 -4.035 1.00 0.00 O ATOM 403 CB TYR A 30 4.085 -6.532 -2.548 1.00 0.00 C ATOM 404 CG TYR A 30 2.697 -7.092 -2.295 1.00 0.00 C ATOM 405 CD1 TYR A 30 2.245 -8.238 -2.972 1.00 0.00 C ATOM 406 CD2 TYR A 30 1.876 -6.501 -1.320 1.00 0.00 C ATOM 407 CE1 TYR A 30 1.081 -8.892 -2.543 1.00 0.00 C ATOM 408 CE2 TYR A 30 0.682 -7.124 -0.929 1.00 0.00 C ATOM 409 CZ TYR A 30 0.320 -8.362 -1.488 1.00 0.00 C ATOM 410 OH TYR A 30 -0.712 -9.075 -0.959 1.00 0.00 O ATOM 0 H TYR A 30 4.820 -8.027 -0.740 1.00 0.00 H new ATOM 0 HA TYR A 30 5.017 -8.146 -3.638 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.353 -5.883 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 30 4.047 -5.906 -3.439 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.794 -8.615 -3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.166 -5.563 -0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.769 -9.806 -3.025 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.041 -6.653 -0.199 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.770 -9.946 -1.405 1.00 0.00 H new ATOM 419 N TYR A 31 7.407 -6.894 -1.911 1.00 0.00 N ATOM 420 CA TYR A 31 8.700 -6.229 -1.905 1.00 0.00 C ATOM 421 C TYR A 31 8.569 -4.732 -2.200 1.00 0.00 C ATOM 422 O TYR A 31 9.253 -4.184 -3.062 1.00 0.00 O ATOM 423 CB TYR A 31 9.740 -6.969 -2.731 1.00 0.00 C ATOM 424 CG TYR A 31 9.806 -8.464 -2.495 1.00 0.00 C ATOM 425 CD1 TYR A 31 10.290 -8.951 -1.268 1.00 0.00 C ATOM 426 CD2 TYR A 31 9.223 -9.356 -3.416 1.00 0.00 C ATOM 427 CE1 TYR A 31 10.004 -10.270 -0.878 1.00 0.00 C ATOM 428 CE2 TYR A 31 9.014 -10.698 -3.054 1.00 0.00 C ATOM 429 CZ TYR A 31 9.305 -11.120 -1.748 1.00 0.00 C ATOM 430 OH TYR A 31 8.804 -12.297 -1.282 1.00 0.00 O ATOM 0 H TYR A 31 7.201 -7.362 -1.028 1.00 0.00 H new ATOM 0 HA TYR A 31 9.098 -6.275 -0.891 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.535 -6.793 -3.787 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.720 -6.540 -2.521 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.880 -8.313 -0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.937 -9.010 -4.398 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.322 -10.629 0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.631 -11.402 -3.778 1.00 0.00 H new ATOM 0 HH TYR A 31 8.446 -12.166 -0.379 1.00 0.00 H new ATOM 439 N ALA A 32 7.700 -4.059 -1.441 1.00 0.00 N ATOM 440 CA ALA A 32 7.803 -2.666 -1.100 1.00 0.00 C ATOM 441 C ALA A 32 8.504 -2.549 0.254 1.00 0.00 C ATOM 442 O ALA A 32 8.183 -3.282 1.180 1.00 0.00 O ATOM 443 CB ALA A 32 6.385 -2.132 -1.003 1.00 0.00 C ATOM 0 H ALA A 32 6.875 -4.503 -1.038 1.00 0.00 H new ATOM 0 HA ALA A 32 8.372 -2.104 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.412 -1.073 -0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.882 -2.259 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.842 -2.680 -0.233 1.00 0.00 H new ATOM 449 N THR A 33 9.441 -1.613 0.378 1.00 0.00 N ATOM 450 CA THR A 33 10.258 -1.415 1.568 1.00 0.00 C ATOM 451 C THR A 33 9.441 -0.868 2.748 1.00 0.00 C ATOM 452 O THR A 33 9.846 -1.023 3.899 1.00 0.00 O ATOM 453 CB THR A 33 11.480 -0.543 1.215 1.00 0.00 C ATOM 454 OG1 THR A 33 12.392 -0.485 2.290 1.00 0.00 O ATOM 455 CG2 THR A 33 11.115 0.894 0.824 1.00 0.00 C ATOM 0 H THR A 33 9.658 -0.953 -0.369 1.00 0.00 H new ATOM 0 HA THR A 33 10.628 -2.382 1.909 1.00 0.00 H new ATOM 0 HB THR A 33 11.932 -1.028 0.350 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.158 0.073 2.039 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.023 1.449 0.589 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.463 0.879 -0.049 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.599 1.377 1.654 1.00 0.00 H new ATOM 463 N SER A 34 8.303 -0.215 2.490 1.00 0.00 N ATOM 464 CA SER A 34 7.415 0.281 3.538 1.00 0.00 C ATOM 465 C SER A 34 5.977 0.265 3.017 1.00 0.00 C ATOM 466 O SER A 34 5.741 -0.274 1.939 1.00 0.00 O ATOM 467 CB SER A 34 7.866 1.676 3.993 1.00 0.00 C ATOM 468 OG SER A 34 9.248 1.676 4.295 1.00 0.00 O ATOM 0 H SER A 34 7.974 -0.017 1.545 1.00 0.00 H new ATOM 0 HA SER A 34 7.459 -0.363 4.416 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.659 2.405 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.296 1.981 4.871 1.00 0.00 H new ATOM 0 HG SER A 34 9.520 2.573 4.582 1.00 0.00 H new ATOM 473 N GLY A 35 5.020 0.839 3.751 1.00 0.00 N ATOM 474 CA GLY A 35 3.595 0.698 3.483 1.00 0.00 C ATOM 475 C GLY A 35 2.858 0.882 4.797 1.00 0.00 C ATOM 476 O GLY A 35 3.506 1.062 5.827 1.00 0.00 O ATOM 0 H GLY A 35 5.222 1.424 4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.268 1.439 2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.381 -0.283 3.058 1.00 0.00 H new ATOM 480 N TYR A 36 1.525 0.862 4.757 1.00 0.00 N ATOM 481 CA TYR A 36 0.690 1.082 5.928 1.00 0.00 C ATOM 482 C TYR A 36 -0.791 0.947 5.578 1.00 0.00 C ATOM 483 O TYR A 36 -1.158 0.801 4.408 1.00 0.00 O ATOM 484 CB TYR A 36 1.010 2.427 6.610 1.00 0.00 C ATOM 485 CG TYR A 36 1.245 3.608 5.700 1.00 0.00 C ATOM 486 CD1 TYR A 36 0.327 3.925 4.683 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.398 4.391 5.873 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.646 4.916 3.748 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.675 5.430 4.975 1.00 0.00 C ATOM 490 CZ TYR A 36 1.825 5.659 3.887 1.00 0.00 C ATOM 491 OH TYR A 36 2.227 6.499 2.902 1.00 0.00 O ATOM 0 H TYR A 36 0.995 0.691 3.902 1.00 0.00 H new ATOM 0 HA TYR A 36 0.921 0.304 6.655 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.187 2.673 7.281 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.897 2.292 7.229 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.619 3.407 4.624 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.069 4.193 6.696 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.018 5.108 2.918 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.544 6.054 5.122 1.00 0.00 H new ATOM 0 HH TYR A 36 3.006 6.119 2.445 1.00 0.00 H new ATOM 500 N CYS A 37 -1.614 0.989 6.629 1.00 0.00 N ATOM 501 CA CYS A 37 -3.056 0.822 6.602 1.00 0.00 C ATOM 502 C CYS A 37 -3.661 2.151 6.152 1.00 0.00 C ATOM 503 O CYS A 37 -4.027 2.986 6.978 1.00 0.00 O ATOM 504 CB CYS A 37 -3.533 0.455 8.017 1.00 0.00 C ATOM 505 SG CYS A 37 -2.799 -1.015 8.787 1.00 0.00 S ATOM 0 H CYS A 37 -1.264 1.150 7.573 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.361 0.030 5.918 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.343 1.308 8.669 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.613 0.314 7.983 1.00 0.00 H new ATOM 509 N CYS A 38 -3.716 2.393 4.842 1.00 0.00 N ATOM 510 CA CYS A 38 -4.327 3.607 4.322 1.00 0.00 C ATOM 511 C CYS A 38 -5.848 3.506 4.464 1.00 0.00 C ATOM 512 O CYS A 38 -6.388 2.407 4.551 1.00 0.00 O ATOM 513 CB CYS A 38 -3.921 3.825 2.863 1.00 0.00 C ATOM 514 SG CYS A 38 -4.575 5.343 2.128 1.00 0.00 S ATOM 0 H CYS A 38 -3.346 1.765 4.128 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.977 4.467 4.893 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.833 3.844 2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.260 2.974 2.273 1.00 0.00 H new ATOM 518 N LEU A 39 -6.526 4.659 4.454 1.00 0.00 N ATOM 519 CA LEU A 39 -7.949 4.913 4.609 1.00 0.00 C ATOM 520 C LEU A 39 -8.885 3.736 4.312 1.00 0.00 C ATOM 521 O LEU A 39 -9.830 3.525 5.065 1.00 0.00 O ATOM 522 CB LEU A 39 -8.290 6.144 3.755 1.00 0.00 C ATOM 523 CG LEU A 39 -7.751 7.458 4.333 1.00 0.00 C ATOM 524 CD1 LEU A 39 -7.906 8.551 3.270 1.00 0.00 C ATOM 525 CD2 LEU A 39 -8.495 7.900 5.600 1.00 0.00 C ATOM 0 H LEU A 39 -6.023 5.536 4.321 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.130 5.088 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.885 6.004 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.373 6.218 3.654 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.708 7.297 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.528 9.495 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.341 8.275 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.959 8.661 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.070 8.836 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.550 8.046 5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.394 7.133 6.368 1.00 0.00 H new ATOM 536 N LEU A 40 -8.663 2.992 3.225 1.00 0.00 N ATOM 537 CA LEU A 40 -9.358 1.728 3.017 1.00 0.00 C ATOM 538 C LEU A 40 -8.548 0.749 2.158 1.00 0.00 C ATOM 539 O LEU A 40 -9.131 -0.017 1.396 1.00 0.00 O ATOM 540 CB LEU A 40 -10.781 1.988 2.482 1.00 0.00 C ATOM 541 CG LEU A 40 -10.922 2.961 1.314 1.00 0.00 C ATOM 542 CD1 LEU A 40 -10.094 2.595 0.077 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.400 3.082 0.926 1.00 0.00 C ATOM 0 H LEU A 40 -8.011 3.245 2.482 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.462 1.227 3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.207 1.032 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.389 2.360 3.307 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.526 3.913 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.255 3.340 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.037 2.569 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.400 1.615 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.502 3.777 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.780 2.104 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.971 3.452 1.778 1.00 0.00 H new ATOM 554 N SER A 41 -7.212 0.758 2.247 1.00 0.00 N ATOM 555 CA SER A 41 -6.389 -0.186 1.499 1.00 0.00 C ATOM 556 C SER A 41 -4.953 -0.179 2.020 1.00 0.00 C ATOM 557 O SER A 41 -4.616 0.565 2.938 1.00 0.00 O ATOM 558 CB SER A 41 -6.440 0.122 -0.007 1.00 0.00 C ATOM 559 OG SER A 41 -5.736 -0.854 -0.758 1.00 0.00 O ATOM 0 H SER A 41 -6.684 1.408 2.829 1.00 0.00 H new ATOM 0 HA SER A 41 -6.792 -1.188 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.478 0.159 -0.338 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.011 1.106 -0.194 1.00 0.00 H new ATOM 0 HG SER A 41 -5.024 -0.420 -1.273 1.00 0.00 H new ATOM 564 N CYS A 42 -4.111 -1.006 1.401 1.00 0.00 N ATOM 565 CA CYS A 42 -2.758 -1.288 1.846 1.00 0.00 C ATOM 566 C CYS A 42 -1.747 -0.635 0.934 1.00 0.00 C ATOM 567 O CYS A 42 -1.494 -1.072 -0.195 1.00 0.00 O ATOM 568 CB CYS A 42 -2.540 -2.797 1.911 1.00 0.00 C ATOM 569 SG CYS A 42 -1.126 -3.300 2.909 1.00 0.00 S ATOM 0 H CYS A 42 -4.365 -1.510 0.551 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.621 -0.872 2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.439 -3.265 2.313 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.409 -3.177 0.898 1.00 0.00 H new ATOM 573 N TYR A 43 -1.186 0.452 1.450 1.00 0.00 N ATOM 574 CA TYR A 43 -0.152 1.169 0.766 1.00 0.00 C ATOM 575 C TYR A 43 1.123 0.403 0.894 1.00 0.00 C ATOM 576 O TYR A 43 1.371 -0.167 1.954 1.00 0.00 O ATOM 577 CB TYR A 43 0.080 2.501 1.448 1.00 0.00 C ATOM 578 CG TYR A 43 0.549 3.581 0.491 1.00 0.00 C ATOM 579 CD1 TYR A 43 -0.167 3.858 -0.690 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.817 4.156 0.673 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.381 4.704 -1.665 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.297 5.118 -0.228 1.00 0.00 C ATOM 583 CZ TYR A 43 1.554 5.413 -1.386 1.00 0.00 C ATOM 584 OH TYR A 43 1.964 6.345 -2.282 1.00 0.00 O ATOM 0 H TYR A 43 -1.444 0.849 2.353 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.445 1.307 -0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.844 2.824 1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.821 2.375 2.237 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.141 3.418 -0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.427 3.856 1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.100 4.808 -2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.229 5.628 -0.035 1.00 0.00 H new ATOM 0 HH TYR A 43 2.866 6.648 -2.049 1.00 0.00 H new ATOM 593 N CYS A 44 1.938 0.494 -0.144 1.00 0.00 N ATOM 594 CA CYS A 44 3.235 -0.080 -0.248 1.00 0.00 C ATOM 595 C CYS A 44 4.122 0.946 -0.960 1.00 0.00 C ATOM 596 O CYS A 44 3.634 1.622 -1.862 1.00 0.00 O ATOM 597 CB CYS A 44 3.053 -1.329 -1.073 1.00 0.00 C ATOM 598 SG CYS A 44 2.314 -2.806 -0.323 1.00 0.00 S ATOM 0 H CYS A 44 1.676 1.010 -0.984 1.00 0.00 H new ATOM 0 HA CYS A 44 3.697 -0.329 0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.442 -1.063 -1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.034 -1.614 -1.453 1.00 0.00 H new ATOM 602 N PHE A 45 5.394 1.061 -0.562 1.00 0.00 N ATOM 603 CA PHE A 45 6.436 1.891 -1.158 1.00 0.00 C ATOM 604 C PHE A 45 7.532 0.987 -1.712 1.00 0.00 C ATOM 605 O PHE A 45 8.161 0.284 -0.929 1.00 0.00 O ATOM 606 CB PHE A 45 7.117 2.749 -0.083 1.00 0.00 C ATOM 607 CG PHE A 45 6.305 3.870 0.520 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.364 3.579 1.518 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.639 5.208 0.247 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.808 4.616 2.279 1.00 0.00 C ATOM 611 CE2 PHE A 45 5.970 6.250 0.909 1.00 0.00 C ATOM 612 CZ PHE A 45 5.089 5.954 1.959 1.00 0.00 C ATOM 0 H PHE A 45 5.742 0.538 0.242 1.00 0.00 H new ATOM 0 HA PHE A 45 5.974 2.512 -1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.435 2.090 0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.019 3.180 -0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.068 2.556 1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.411 5.435 -0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.162 4.386 3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.133 7.275 0.611 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.628 6.753 2.520 1.00 0.00 H new ATOM 621 N GLY A 46 7.816 1.023 -3.012 1.00 0.00 N ATOM 622 CA GLY A 46 8.956 0.342 -3.612 1.00 0.00 C ATOM 623 C GLY A 46 8.609 -0.942 -4.367 1.00 0.00 C ATOM 624 O GLY A 46 9.508 -1.484 -5.001 1.00 0.00 O ATOM 0 H GLY A 46 7.249 1.536 -3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.452 1.028 -4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.673 0.103 -2.827 1.00 0.00 H new ATOM 628 N LEU A 47 7.348 -1.411 -4.302 1.00 0.00 N ATOM 629 CA LEU A 47 6.722 -2.491 -5.059 1.00 0.00 C ATOM 630 C LEU A 47 7.589 -2.960 -6.239 1.00 0.00 C ATOM 631 O LEU A 47 7.440 -2.456 -7.351 1.00 0.00 O ATOM 632 CB LEU A 47 5.284 -2.097 -5.505 1.00 0.00 C ATOM 633 CG LEU A 47 4.494 -1.161 -4.560 1.00 0.00 C ATOM 634 CD1 LEU A 47 5.081 0.223 -4.546 1.00 0.00 C ATOM 635 CD2 LEU A 47 2.994 -1.062 -4.846 1.00 0.00 C ATOM 0 H LEU A 47 6.683 -0.995 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 47 6.636 -3.348 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.350 -1.617 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.707 -3.012 -5.638 1.00 0.00 H new ATOM 0 HG LEU A 47 4.592 -1.633 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.503 0.856 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.115 0.176 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.051 0.641 -5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.531 -0.383 -4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.840 -0.684 -5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.540 -2.049 -4.755 1.00 0.00 H new ATOM 646 N ASP A 48 8.491 -3.906 -5.944 1.00 0.00 N ATOM 647 CA ASP A 48 9.392 -4.648 -6.842 1.00 0.00 C ATOM 648 C ASP A 48 8.916 -4.610 -8.299 1.00 0.00 C ATOM 649 O ASP A 48 9.312 -3.731 -9.062 1.00 0.00 O ATOM 650 CB ASP A 48 9.559 -6.063 -6.256 1.00 0.00 C ATOM 651 CG ASP A 48 9.726 -7.223 -7.219 1.00 0.00 C ATOM 652 OD1 ASP A 48 10.848 -7.439 -7.712 1.00 0.00 O ATOM 653 OD2 ASP A 48 8.655 -7.834 -7.461 1.00 0.00 O ATOM 0 H ASP A 48 8.622 -4.201 -4.976 1.00 0.00 H new ATOM 0 HA ASP A 48 10.374 -4.178 -6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.427 -6.050 -5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.689 -6.270 -5.633 1.00 0.00 H new ATOM 657 N ASP A 49 8.007 -5.514 -8.663 1.00 0.00 N ATOM 658 CA ASP A 49 6.925 -5.214 -9.569 1.00 0.00 C ATOM 659 C ASP A 49 5.838 -4.450 -8.823 1.00 0.00 C ATOM 660 O ASP A 49 5.674 -4.641 -7.617 1.00 0.00 O ATOM 661 CB ASP A 49 6.341 -6.479 -10.184 1.00 0.00 C ATOM 662 CG ASP A 49 5.179 -6.057 -11.068 1.00 0.00 C ATOM 663 OD1 ASP A 49 5.436 -5.230 -11.971 1.00 0.00 O ATOM 664 OD2 ASP A 49 4.032 -6.366 -10.677 1.00 0.00 O ATOM 0 H ASP A 49 8.010 -6.478 -8.329 1.00 0.00 H new ATOM 0 HA ASP A 49 7.320 -4.603 -10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.096 -7.006 -10.767 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.003 -7.164 -9.406 1.00 0.00 H new ATOM 668 N ASP A 50 5.087 -3.655 -9.579 1.00 0.00 N ATOM 669 CA ASP A 50 3.980 -2.812 -9.162 1.00 0.00 C ATOM 670 C ASP A 50 2.868 -3.598 -8.444 1.00 0.00 C ATOM 671 O ASP A 50 2.284 -3.115 -7.478 1.00 0.00 O ATOM 672 CB ASP A 50 3.472 -2.137 -10.442 1.00 0.00 C ATOM 673 CG ASP A 50 2.386 -1.119 -10.170 1.00 0.00 C ATOM 674 OD1 ASP A 50 2.746 0.004 -9.750 1.00 0.00 O ATOM 675 OD2 ASP A 50 1.214 -1.478 -10.406 1.00 0.00 O ATOM 0 H ASP A 50 5.254 -3.580 -10.582 1.00 0.00 H new ATOM 0 HA ASP A 50 4.308 -2.080 -8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.306 -1.648 -10.946 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.090 -2.898 -11.123 1.00 0.00 H new ATOM 679 N LYS A 51 2.585 -4.816 -8.914 1.00 0.00 N ATOM 680 CA LYS A 51 1.425 -5.641 -8.580 1.00 0.00 C ATOM 681 C LYS A 51 0.128 -4.877 -8.856 1.00 0.00 C ATOM 682 O LYS A 51 -0.751 -4.791 -8.000 1.00 0.00 O ATOM 683 CB LYS A 51 1.473 -6.244 -7.161 1.00 0.00 C ATOM 684 CG LYS A 51 2.482 -7.389 -6.987 1.00 0.00 C ATOM 685 CD LYS A 51 3.904 -6.849 -7.095 1.00 0.00 C ATOM 686 CE LYS A 51 5.018 -7.840 -6.752 1.00 0.00 C ATOM 687 NZ LYS A 51 6.293 -7.113 -6.586 1.00 0.00 N ATOM 0 H LYS A 51 3.201 -5.280 -9.581 1.00 0.00 H new ATOM 0 HA LYS A 51 1.455 -6.509 -9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.716 -5.452 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.480 -6.610 -6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.338 -7.868 -6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.315 -8.152 -7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.061 -6.492 -8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.996 -5.985 -6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.772 -8.377 -5.836 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.112 -8.585 -7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.036 -7.584 -7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.181 -6.134 -6.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.561 -7.108 -5.581 1.00 0.00 H new ATOM 697 N ALA A 52 0.023 -4.378 -10.094 1.00 0.00 N ATOM 698 CA ALA A 52 -1.144 -3.736 -10.683 1.00 0.00 C ATOM 699 C ALA A 52 -1.863 -2.848 -9.671 1.00 0.00 C ATOM 700 O ALA A 52 -2.997 -3.134 -9.286 1.00 0.00 O ATOM 701 CB ALA A 52 -2.068 -4.806 -11.277 1.00 0.00 C ATOM 0 H ALA A 52 0.805 -4.418 -10.748 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.821 -3.076 -11.489 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.942 -4.327 -11.718 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.532 -5.363 -12.046 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.387 -5.489 -10.490 1.00 0.00 H new ATOM 707 N VAL A 53 -1.186 -1.790 -9.217 1.00 0.00 N ATOM 708 CA VAL A 53 -1.670 -1.011 -8.094 1.00 0.00 C ATOM 709 C VAL A 53 -3.070 -0.477 -8.343 1.00 0.00 C ATOM 710 O VAL A 53 -3.434 -0.087 -9.455 1.00 0.00 O ATOM 711 CB VAL A 53 -0.735 0.142 -7.703 1.00 0.00 C ATOM 712 CG1 VAL A 53 0.565 -0.403 -7.120 1.00 0.00 C ATOM 713 CG2 VAL A 53 -0.476 1.102 -8.870 1.00 0.00 C ATOM 0 H VAL A 53 -0.306 -1.461 -9.613 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.696 -1.705 -7.254 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.236 0.728 -6.933 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.218 0.427 -6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.345 -0.998 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.063 -1.028 -7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.191 1.900 -8.543 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.014 0.557 -9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.420 1.532 -9.204 1.00 0.00 H new ATOM 723 N LEU A 54 -3.850 -0.439 -7.271 1.00 0.00 N ATOM 724 CA LEU A 54 -5.214 0.023 -7.325 1.00 0.00 C ATOM 725 C LEU A 54 -5.300 1.504 -7.664 1.00 0.00 C ATOM 726 O LEU A 54 -4.330 2.265 -7.657 1.00 0.00 O ATOM 727 CB LEU A 54 -5.927 -0.316 -6.011 1.00 0.00 C ATOM 728 CG LEU A 54 -6.599 -1.694 -6.094 1.00 0.00 C ATOM 729 CD1 LEU A 54 -5.661 -2.793 -6.604 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.127 -2.065 -4.707 1.00 0.00 C ATOM 0 H LEU A 54 -3.546 -0.730 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.726 -0.497 -8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.210 -0.305 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.675 0.446 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.411 -1.622 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.197 -3.741 -6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.311 -2.537 -7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.807 -2.883 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.608 -3.042 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.299 -2.099 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.852 -1.318 -4.382 1.00 0.00 H new ATOM 741 N LYS A 55 -6.535 1.884 -7.966 1.00 0.00 N ATOM 742 CA LYS A 55 -6.899 3.190 -8.480 1.00 0.00 C ATOM 743 C LYS A 55 -6.957 4.146 -7.296 1.00 0.00 C ATOM 744 O LYS A 55 -8.035 4.535 -6.846 1.00 0.00 O ATOM 745 CB LYS A 55 -8.226 3.076 -9.251 1.00 0.00 C ATOM 746 CG LYS A 55 -8.661 4.369 -9.959 1.00 0.00 C ATOM 747 CD LYS A 55 -7.653 4.813 -11.028 1.00 0.00 C ATOM 748 CE LYS A 55 -8.231 5.963 -11.866 1.00 0.00 C ATOM 749 NZ LYS A 55 -7.289 6.429 -12.905 1.00 0.00 N ATOM 0 H LYS A 55 -7.338 1.265 -7.854 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.169 3.580 -9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.134 2.283 -9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.011 2.774 -8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.636 4.217 -10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.779 5.163 -9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.726 5.132 -10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.406 3.972 -11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.157 5.635 -12.339 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.485 6.795 -11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.723 7.205 -13.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.415 6.767 -12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.065 5.643 -13.548 1.00 0.00 H new ATOM 759 N ILE A 56 -5.790 4.477 -6.748 1.00 0.00 N ATOM 760 CA ILE A 56 -5.723 5.244 -5.529 1.00 0.00 C ATOM 761 C ILE A 56 -6.262 6.644 -5.804 1.00 0.00 C ATOM 762 O ILE A 56 -5.980 7.230 -6.850 1.00 0.00 O ATOM 763 CB ILE A 56 -4.301 5.194 -4.951 1.00 0.00 C ATOM 764 CG1 ILE A 56 -3.258 5.869 -5.843 1.00 0.00 C ATOM 765 CG2 ILE A 56 -3.847 3.736 -4.791 1.00 0.00 C ATOM 766 CD1 ILE A 56 -1.891 5.893 -5.146 1.00 0.00 C ATOM 0 H ILE A 56 -4.883 4.221 -7.137 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.355 4.819 -4.749 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.359 5.723 -4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.181 5.335 -6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.573 6.886 -6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.838 3.712 -4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.526 3.216 -4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.855 3.244 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.160 6.377 -5.794 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.969 6.447 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.571 4.872 -4.937 1.00 0.00 H new ATOM 777 N LYS A 57 -7.100 7.154 -4.903 1.00 0.00 N ATOM 778 CA LYS A 57 -7.719 8.448 -5.101 1.00 0.00 C ATOM 779 C LYS A 57 -6.670 9.499 -4.764 1.00 0.00 C ATOM 780 O LYS A 57 -5.826 9.266 -3.899 1.00 0.00 O ATOM 781 CB LYS A 57 -8.942 8.610 -4.198 1.00 0.00 C ATOM 782 CG LYS A 57 -9.971 7.466 -4.294 1.00 0.00 C ATOM 783 CD LYS A 57 -10.729 7.274 -2.968 1.00 0.00 C ATOM 784 CE LYS A 57 -9.997 6.281 -2.046 1.00 0.00 C ATOM 785 NZ LYS A 57 -10.626 6.164 -0.708 1.00 0.00 N ATOM 0 H LYS A 57 -7.360 6.687 -4.034 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.062 8.554 -6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.605 8.691 -3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.438 9.548 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.681 7.681 -5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.462 6.540 -4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.833 8.234 -2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.736 6.911 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.978 5.300 -2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.961 6.598 -1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.961 5.709 -0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.869 7.111 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.490 5.590 -0.780 1.00 0.00 H new ATOM 795 N ASP A 58 -6.750 10.655 -5.414 1.00 0.00 N ATOM 796 CA ASP A 58 -5.719 11.685 -5.344 1.00 0.00 C ATOM 797 C ASP A 58 -5.487 12.108 -3.900 1.00 0.00 C ATOM 798 O ASP A 58 -4.413 11.927 -3.327 1.00 0.00 O ATOM 799 CB ASP A 58 -6.143 12.897 -6.170 1.00 0.00 C ATOM 800 CG ASP A 58 -5.083 13.979 -6.025 1.00 0.00 C ATOM 801 OD1 ASP A 58 -3.985 13.768 -6.581 1.00 0.00 O ATOM 802 OD2 ASP A 58 -5.379 14.953 -5.304 1.00 0.00 O ATOM 0 H ASP A 58 -7.539 10.906 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.791 11.277 -5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.259 12.619 -7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.110 13.267 -5.830 1.00 0.00 H new ATOM 806 N ALA A 59 -6.555 12.621 -3.299 1.00 0.00 N ATOM 807 CA ALA A 59 -6.559 13.018 -1.905 1.00 0.00 C ATOM 808 C ALA A 59 -6.019 11.901 -1.015 1.00 0.00 C ATOM 809 O ALA A 59 -5.216 12.165 -0.123 1.00 0.00 O ATOM 810 CB ALA A 59 -7.970 13.439 -1.484 1.00 0.00 C ATOM 0 H ALA A 59 -7.446 12.772 -3.773 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.896 13.875 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.963 13.736 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.297 14.279 -2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.655 12.602 -1.620 1.00 0.00 H new ATOM 816 N THR A 60 -6.424 10.648 -1.256 1.00 0.00 N ATOM 817 CA THR A 60 -5.913 9.551 -0.450 1.00 0.00 C ATOM 818 C THR A 60 -4.436 9.282 -0.709 1.00 0.00 C ATOM 819 O THR A 60 -3.730 8.971 0.239 1.00 0.00 O ATOM 820 CB THR A 60 -6.766 8.281 -0.549 1.00 0.00 C ATOM 821 OG1 THR A 60 -6.701 7.640 -1.817 1.00 0.00 O ATOM 822 CG2 THR A 60 -8.213 8.623 -0.176 1.00 0.00 C ATOM 0 H THR A 60 -7.086 10.380 -1.984 1.00 0.00 H new ATOM 0 HA THR A 60 -5.994 9.880 0.586 1.00 0.00 H new ATOM 0 HB THR A 60 -6.354 7.557 0.154 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.222 6.790 -1.729 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.828 7.726 -0.243 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.245 9.009 0.843 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.597 9.378 -0.862 1.00 0.00 H new ATOM 830 N LYS A 61 -3.943 9.411 -1.945 1.00 0.00 N ATOM 831 CA LYS A 61 -2.534 9.248 -2.225 1.00 0.00 C ATOM 832 C LYS A 61 -1.794 10.291 -1.417 1.00 0.00 C ATOM 833 O LYS A 61 -0.864 9.978 -0.691 1.00 0.00 O ATOM 834 CB LYS A 61 -2.334 9.431 -3.724 1.00 0.00 C ATOM 835 CG LYS A 61 -0.881 9.620 -4.182 1.00 0.00 C ATOM 836 CD LYS A 61 -0.665 11.120 -4.434 1.00 0.00 C ATOM 837 CE LYS A 61 0.680 11.449 -5.102 1.00 0.00 C ATOM 838 NZ LYS A 61 1.812 11.493 -4.146 1.00 0.00 N ATOM 0 H LYS A 61 -4.511 9.629 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.156 8.263 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.747 8.562 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.913 10.296 -4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.190 9.256 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.688 9.048 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.473 11.493 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.728 11.651 -3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.889 10.703 -5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.602 12.412 -5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.527 12.168 -4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.466 11.794 -3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.238 10.547 -4.069 1.00 0.00 H new ATOM 848 N SER A 62 -2.232 11.538 -1.535 1.00 0.00 N ATOM 849 CA SER A 62 -1.594 12.634 -0.818 1.00 0.00 C ATOM 850 C SER A 62 -1.518 12.319 0.679 1.00 0.00 C ATOM 851 O SER A 62 -0.435 12.337 1.266 1.00 0.00 O ATOM 852 CB SER A 62 -2.314 13.957 -1.121 1.00 0.00 C ATOM 853 OG SER A 62 -1.515 15.054 -0.722 1.00 0.00 O ATOM 0 H SER A 62 -3.022 11.815 -2.117 1.00 0.00 H new ATOM 0 HA SER A 62 -0.567 12.750 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.531 14.025 -2.187 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.270 13.986 -0.599 1.00 0.00 H new ATOM 0 HG SER A 62 -1.985 15.891 -0.922 1.00 0.00 H new ATOM 858 N TYR A 63 -2.663 11.984 1.279 1.00 0.00 N ATOM 859 CA TYR A 63 -2.752 11.586 2.675 1.00 0.00 C ATOM 860 C TYR A 63 -1.805 10.429 2.984 1.00 0.00 C ATOM 861 O TYR A 63 -1.184 10.401 4.042 1.00 0.00 O ATOM 862 CB TYR A 63 -4.192 11.160 3.002 1.00 0.00 C ATOM 863 CG TYR A 63 -4.407 10.751 4.452 1.00 0.00 C ATOM 864 CD1 TYR A 63 -3.911 11.563 5.491 1.00 0.00 C ATOM 865 CD2 TYR A 63 -4.954 9.490 4.759 1.00 0.00 C ATOM 866 CE1 TYR A 63 -3.847 11.068 6.804 1.00 0.00 C ATOM 867 CE2 TYR A 63 -4.881 8.993 6.073 1.00 0.00 C ATOM 868 CZ TYR A 63 -4.303 9.772 7.089 1.00 0.00 C ATOM 869 OH TYR A 63 -4.178 9.278 8.353 1.00 0.00 O ATOM 0 H TYR A 63 -3.562 11.983 0.798 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.465 12.441 3.287 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.865 11.984 2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.468 10.326 2.356 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.579 12.568 5.277 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.429 8.905 3.986 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.447 11.685 7.595 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.270 8.011 6.301 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.542 8.369 8.386 1.00 0.00 H new ATOM 878 N CYS A 64 -1.756 9.456 2.079 1.00 0.00 N ATOM 879 CA CYS A 64 -1.097 8.172 2.263 1.00 0.00 C ATOM 880 C CYS A 64 0.153 8.019 1.394 1.00 0.00 C ATOM 881 O CYS A 64 0.430 6.899 0.979 1.00 0.00 O ATOM 882 CB CYS A 64 -2.086 7.033 1.960 1.00 0.00 C ATOM 883 SG CYS A 64 -3.522 6.884 3.039 1.00 0.00 S ATOM 0 H CYS A 64 -2.193 9.547 1.162 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.772 8.123 3.302 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.443 7.158 0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.538 6.091 1.994 1.00 0.00 H new ATOM 887 N ASP A 65 0.940 9.073 1.144 1.00 0.00 N ATOM 888 CA ASP A 65 2.227 8.957 0.440 1.00 0.00 C ATOM 889 C ASP A 65 3.305 9.794 1.129 1.00 0.00 C ATOM 890 O ASP A 65 4.371 9.293 1.491 1.00 0.00 O ATOM 891 CB ASP A 65 2.027 9.382 -1.018 1.00 0.00 C ATOM 892 CG ASP A 65 3.208 9.103 -1.936 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.869 8.053 -1.762 1.00 0.00 O ATOM 894 OD2 ASP A 65 3.338 9.900 -2.890 1.00 0.00 O ATOM 0 H ASP A 65 0.706 10.026 1.422 1.00 0.00 H new ATOM 0 HA ASP A 65 2.570 7.923 0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.150 8.870 -1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.811 10.450 -1.043 1.00 0.00 H new ATOM 898 N VAL A 66 2.995 11.072 1.360 1.00 0.00 N ATOM 899 CA VAL A 66 3.887 12.030 2.009 1.00 0.00 C ATOM 900 C VAL A 66 4.351 11.531 3.385 1.00 0.00 C ATOM 901 O VAL A 66 5.455 11.853 3.816 1.00 0.00 O ATOM 902 CB VAL A 66 3.181 13.399 2.099 1.00 0.00 C ATOM 903 CG1 VAL A 66 4.071 14.453 2.775 1.00 0.00 C ATOM 904 CG2 VAL A 66 2.800 13.915 0.703 1.00 0.00 C ATOM 0 H VAL A 66 2.097 11.476 1.094 1.00 0.00 H new ATOM 0 HA VAL A 66 4.789 12.140 1.408 1.00 0.00 H new ATOM 0 HB VAL A 66 2.284 13.246 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.539 15.403 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.318 14.127 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.989 14.577 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.304 14.881 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.700 14.025 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.125 13.205 0.224 1.00 0.00 H new ATOM 914 N GLN A 67 3.501 10.738 4.044 1.00 0.00 N ATOM 915 CA GLN A 67 3.647 10.102 5.342 1.00 0.00 C ATOM 916 C GLN A 67 5.101 9.825 5.712 1.00 0.00 C ATOM 917 O GLN A 67 5.653 10.443 6.619 1.00 0.00 O ATOM 918 CB GLN A 67 2.852 8.793 5.243 1.00 0.00 C ATOM 919 CG GLN A 67 1.349 9.050 5.347 1.00 0.00 C ATOM 920 CD GLN A 67 0.840 9.361 6.709 1.00 0.00 C ATOM 921 OE1 GLN A 67 1.456 9.118 7.741 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.393 9.815 6.659 1.00 0.00 N ATOM 0 H GLN A 67 2.598 10.506 3.630 1.00 0.00 H new ATOM 0 HA GLN A 67 3.279 10.759 6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.075 8.300 4.297 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.163 8.114 6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.094 9.879 4.686 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.822 8.171 4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.835 9.992 5.757 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.907 9.990 7.522 1.00 0.00 H new ATOM 929 N ILE A 68 5.697 8.855 5.022 1.00 0.00 N ATOM 930 CA ILE A 68 7.043 8.391 5.286 1.00 0.00 C ATOM 931 C ILE A 68 8.030 9.254 4.495 1.00 0.00 C ATOM 932 O ILE A 68 9.077 9.632 5.015 1.00 0.00 O ATOM 933 CB ILE A 68 7.091 6.883 4.990 1.00 0.00 C ATOM 934 CG1 ILE A 68 6.332 6.172 6.129 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.528 6.379 4.873 1.00 0.00 C ATOM 936 CD1 ILE A 68 6.134 4.668 5.920 1.00 0.00 C ATOM 0 H ILE A 68 5.243 8.365 4.251 1.00 0.00 H new ATOM 0 HA ILE A 68 7.340 8.504 6.329 1.00 0.00 H new ATOM 0 HB ILE A 68 6.622 6.670 4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.874 6.328 7.062 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.355 6.641 6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.522 5.309 4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.033 6.905 4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.055 6.563 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.592 4.251 6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.563 4.500 5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.106 4.181 5.836 1.00 0.00 H new ATOM 947 N ILE A 69 7.685 9.611 3.256 1.00 0.00 N ATOM 948 CA ILE A 69 8.443 10.592 2.490 1.00 0.00 C ATOM 949 C ILE A 69 8.219 11.971 3.114 1.00 0.00 C ATOM 950 O ILE A 69 9.115 12.813 3.109 1.00 0.00 O ATOM 951 CB ILE A 69 8.038 10.514 1.004 1.00 0.00 C ATOM 952 CG1 ILE A 69 8.527 9.165 0.444 1.00 0.00 C ATOM 953 CG2 ILE A 69 8.634 11.677 0.197 1.00 0.00 C ATOM 954 CD1 ILE A 69 8.058 8.886 -0.986 1.00 0.00 C ATOM 0 H ILE A 69 6.878 9.229 2.762 1.00 0.00 H new ATOM 0 HA ILE A 69 9.513 10.388 2.525 1.00 0.00 H new ATOM 0 HB ILE A 69 6.954 10.590 0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 69 9.616 9.144 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.177 8.363 1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.328 11.591 -0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.276 12.623 0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.722 11.644 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.441 7.919 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.968 8.873 -1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.430 9.666 -1.650 1.00 0.00 H new TER 965 ILE A 69