USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 426 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 57 LYS NZ :NH3+ -128:sc= 1.26 (180deg=-0.24) USER MOD Set 1.2: A 60 THR OG1 : rot -110:sc= 0.984 USER MOD Set 2.1: A 43 TYR OH : rot 180:sc= 1.5 USER MOD Set 2.2: A 61 LYS NZ :NH3+ 135:sc= 2.63 (180deg=2.09) USER MOD Set 3.1: A 10 SER OG : rot -153:sc= 1.04 USER MOD Set 3.2: A 12 LYS NZ :NH3+ -176:sc= 2.08 (180deg=0.948) USER MOD Single : A 2 LYS NZ :NH3+ -112:sc= 1.05 (180deg=-1.2!) USER MOD Single : A 3 ASN : amide:sc= 1.33 K(o=1.3,f=-5.5!) USER MOD Single : A 5 TYR OH : rot -8:sc= 0.566 USER MOD Single : A 9 SER OG : rot 180:sc= 0.167 USER MOD Single : A 14 SER OG : rot 170:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.488 K(o=0.49,f=-5.5!) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.959 K(o=0.96,f=-0.15) USER MOD Single : A 24 ASN : amide:sc=-0.00613 X(o=-0.0061,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0742) USER MOD Single : A 30 TYR OH : rot 56:sc= 1.26 USER MOD Single : A 31 TYR OH : rot -44:sc= 1.27 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.461 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -57:sc= 0.11 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 2.2 (180deg=1.99) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0037) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00658 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 1.12 K(o=1.1,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 2 6.511 3.965 -7.436 1.00 0.00 N ATOM 20 CA LYS A 2 5.407 4.929 -7.452 1.00 0.00 C ATOM 21 C LYS A 2 4.862 5.129 -6.040 1.00 0.00 C ATOM 22 O LYS A 2 4.307 6.187 -5.733 1.00 0.00 O ATOM 23 CB LYS A 2 4.299 4.477 -8.415 1.00 0.00 C ATOM 24 CG LYS A 2 4.010 2.986 -8.239 1.00 0.00 C ATOM 25 CD LYS A 2 2.543 2.609 -8.379 1.00 0.00 C ATOM 26 CE LYS A 2 2.093 2.576 -9.849 1.00 0.00 C ATOM 27 NZ LYS A 2 2.647 1.408 -10.574 1.00 0.00 N ATOM 0 HA LYS A 2 5.786 5.886 -7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.392 5.053 -8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.600 4.676 -9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.588 2.427 -8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.360 2.674 -7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.375 1.631 -7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.931 3.324 -7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.004 2.547 -9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.409 3.494 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.334 1.734 -11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.121 0.774 -9.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.876 0.896 -11.048 1.00 0.00 H new ATOM 37 N ASN A 3 4.991 4.083 -5.216 1.00 0.00 N ATOM 38 CA ASN A 3 4.272 3.834 -3.982 1.00 0.00 C ATOM 39 C ASN A 3 2.777 3.773 -4.318 1.00 0.00 C ATOM 40 O ASN A 3 2.168 4.753 -4.752 1.00 0.00 O ATOM 41 CB ASN A 3 4.574 4.917 -2.955 1.00 0.00 C ATOM 42 CG ASN A 3 6.029 5.325 -2.815 1.00 0.00 C ATOM 43 OD1 ASN A 3 6.957 4.569 -3.088 1.00 0.00 O ATOM 44 ND2 ASN A 3 6.215 6.554 -2.381 1.00 0.00 N ATOM 0 H ASN A 3 5.655 3.336 -5.419 1.00 0.00 H new ATOM 0 HA ASN A 3 4.586 2.889 -3.538 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.994 5.803 -3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 3 4.220 4.575 -1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.162 6.914 -2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.413 7.146 -2.167 1.00 0.00 H new ATOM 50 N GLY A 4 2.218 2.577 -4.191 1.00 0.00 N ATOM 51 CA GLY A 4 0.946 2.153 -4.744 1.00 0.00 C ATOM 52 C GLY A 4 0.190 1.383 -3.676 1.00 0.00 C ATOM 53 O GLY A 4 0.584 1.398 -2.507 1.00 0.00 O ATOM 0 H GLY A 4 2.673 1.832 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.367 3.017 -5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.104 1.527 -5.622 1.00 0.00 H new ATOM 57 N TYR A 5 -0.863 0.675 -4.086 1.00 0.00 N ATOM 58 CA TYR A 5 -1.527 -0.290 -3.234 1.00 0.00 C ATOM 59 C TYR A 5 -1.450 -1.670 -3.855 1.00 0.00 C ATOM 60 O TYR A 5 -1.662 -1.795 -5.058 1.00 0.00 O ATOM 61 CB TYR A 5 -3.021 0.059 -3.079 1.00 0.00 C ATOM 62 CG TYR A 5 -3.517 1.376 -2.503 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.171 1.764 -1.203 1.00 0.00 C ATOM 64 CD2 TYR A 5 -4.598 2.031 -3.128 1.00 0.00 C ATOM 65 CE1 TYR A 5 -3.710 2.937 -0.642 1.00 0.00 C ATOM 66 CE2 TYR A 5 -5.280 3.071 -2.478 1.00 0.00 C ATOM 67 CZ TYR A 5 -4.790 3.574 -1.270 1.00 0.00 C ATOM 68 OH TYR A 5 -5.357 4.681 -0.720 1.00 0.00 O ATOM 0 H TYR A 5 -1.272 0.760 -5.016 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.030 -0.270 -2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.462 -0.028 -4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.459 -0.729 -2.466 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.486 1.159 -0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.905 1.729 -4.118 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.294 3.344 0.268 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -6.181 3.481 -2.910 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.981 4.832 0.173 1.00 0.00 H new ATOM 77 N ALA A 6 -1.158 -2.690 -3.044 1.00 0.00 N ATOM 78 CA ALA A 6 -0.872 -4.021 -3.577 1.00 0.00 C ATOM 79 C ALA A 6 -2.006 -5.006 -3.296 1.00 0.00 C ATOM 80 O ALA A 6 -2.590 -4.983 -2.214 1.00 0.00 O ATOM 81 CB ALA A 6 0.441 -4.537 -2.998 1.00 0.00 C ATOM 0 H ALA A 6 -1.114 -2.620 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.783 -3.936 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.650 -5.529 -3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.250 -3.859 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.363 -4.593 -1.912 1.00 0.00 H new ATOM 87 N VAL A 7 -2.290 -5.878 -4.269 1.00 0.00 N ATOM 88 CA VAL A 7 -3.201 -7.010 -4.145 1.00 0.00 C ATOM 89 C VAL A 7 -2.587 -8.211 -4.857 1.00 0.00 C ATOM 90 O VAL A 7 -1.716 -8.044 -5.711 1.00 0.00 O ATOM 91 CB VAL A 7 -4.569 -6.675 -4.771 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.303 -5.668 -3.875 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.419 -6.154 -6.213 1.00 0.00 C ATOM 0 H VAL A 7 -1.874 -5.808 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.355 -7.237 -3.090 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.163 -7.586 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.271 -5.428 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.451 -6.101 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.709 -4.758 -3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.404 -5.928 -6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.810 -5.250 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.937 -6.915 -6.827 1.00 0.00 H new ATOM 103 N ASP A 8 -3.059 -9.418 -4.537 1.00 0.00 N ATOM 104 CA ASP A 8 -2.785 -10.614 -5.277 1.00 0.00 C ATOM 105 C ASP A 8 -3.525 -10.567 -6.611 1.00 0.00 C ATOM 106 O ASP A 8 -4.357 -9.685 -6.844 1.00 0.00 O ATOM 107 CB ASP A 8 -3.375 -11.767 -4.463 1.00 0.00 C ATOM 108 CG ASP A 8 -2.945 -11.820 -3.009 1.00 0.00 C ATOM 109 OD1 ASP A 8 -1.739 -11.618 -2.759 1.00 0.00 O ATOM 110 OD2 ASP A 8 -3.855 -11.989 -2.173 1.00 0.00 O ATOM 0 H ASP A 8 -3.659 -9.576 -3.728 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.715 -10.727 -5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.462 -11.698 -4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.098 -12.707 -4.941 1.00 0.00 H new ATOM 114 N SER A 9 -3.347 -11.622 -7.409 1.00 0.00 N ATOM 115 CA SER A 9 -4.231 -12.051 -8.473 1.00 0.00 C ATOM 116 C SER A 9 -5.561 -12.495 -7.845 1.00 0.00 C ATOM 117 O SER A 9 -5.940 -13.665 -7.871 1.00 0.00 O ATOM 118 CB SER A 9 -3.497 -13.191 -9.193 1.00 0.00 C ATOM 119 OG SER A 9 -2.652 -13.886 -8.283 1.00 0.00 O ATOM 0 H SER A 9 -2.532 -12.229 -7.317 1.00 0.00 H new ATOM 0 HA SER A 9 -4.469 -11.267 -9.192 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.220 -13.881 -9.628 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.905 -12.789 -10.015 1.00 0.00 H new ATOM 0 HG SER A 9 -2.191 -14.611 -8.754 1.00 0.00 H new ATOM 124 N SER A 10 -6.247 -11.540 -7.220 1.00 0.00 N ATOM 125 CA SER A 10 -7.381 -11.738 -6.331 1.00 0.00 C ATOM 126 C SER A 10 -7.947 -10.397 -5.851 1.00 0.00 C ATOM 127 O SER A 10 -9.152 -10.330 -5.599 1.00 0.00 O ATOM 128 CB SER A 10 -7.021 -12.644 -5.136 1.00 0.00 C ATOM 129 OG SER A 10 -8.104 -13.517 -4.861 1.00 0.00 O ATOM 0 H SER A 10 -6.010 -10.554 -7.329 1.00 0.00 H new ATOM 0 HA SER A 10 -8.155 -12.248 -6.904 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.123 -13.220 -5.360 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.798 -12.036 -4.259 1.00 0.00 H new ATOM 0 HG SER A 10 -8.088 -13.770 -3.914 1.00 0.00 H new ATOM 134 N GLY A 11 -7.120 -9.347 -5.702 1.00 0.00 N ATOM 135 CA GLY A 11 -7.631 -7.994 -5.511 1.00 0.00 C ATOM 136 C GLY A 11 -8.331 -7.823 -4.169 1.00 0.00 C ATOM 137 O GLY A 11 -9.452 -7.328 -4.102 1.00 0.00 O ATOM 0 H GLY A 11 -6.102 -9.417 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.807 -7.284 -5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.328 -7.755 -6.314 1.00 0.00 H new ATOM 141 N LYS A 12 -7.661 -8.264 -3.104 1.00 0.00 N ATOM 142 CA LYS A 12 -8.177 -8.250 -1.743 1.00 0.00 C ATOM 143 C LYS A 12 -7.160 -7.544 -0.850 1.00 0.00 C ATOM 144 O LYS A 12 -6.115 -8.108 -0.533 1.00 0.00 O ATOM 145 CB LYS A 12 -8.454 -9.690 -1.292 1.00 0.00 C ATOM 146 CG LYS A 12 -9.635 -10.255 -2.093 1.00 0.00 C ATOM 147 CD LYS A 12 -9.784 -11.769 -1.909 1.00 0.00 C ATOM 148 CE LYS A 12 -10.848 -12.327 -2.866 1.00 0.00 C ATOM 149 NZ LYS A 12 -10.416 -12.288 -4.281 1.00 0.00 N ATOM 0 H LYS A 12 -6.719 -8.650 -3.170 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.119 -7.705 -1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.569 -10.307 -1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.679 -9.712 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.554 -9.760 -1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.496 -10.031 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.828 -12.259 -2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.062 -11.990 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.078 -13.356 -2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.768 -11.754 -2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.194 -12.612 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.157 -11.314 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.593 -12.911 -4.410 1.00 0.00 H new ATOM 159 N VAL A 13 -7.448 -6.295 -0.484 1.00 0.00 N ATOM 160 CA VAL A 13 -6.596 -5.522 0.405 1.00 0.00 C ATOM 161 C VAL A 13 -6.688 -6.061 1.828 1.00 0.00 C ATOM 162 O VAL A 13 -7.658 -6.720 2.196 1.00 0.00 O ATOM 163 CB VAL A 13 -6.983 -4.032 0.380 1.00 0.00 C ATOM 164 CG1 VAL A 13 -6.828 -3.479 -1.033 1.00 0.00 C ATOM 165 CG2 VAL A 13 -8.412 -3.766 0.881 1.00 0.00 C ATOM 0 H VAL A 13 -8.280 -5.795 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.568 -5.616 0.055 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.306 -3.524 1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.104 -2.424 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.792 -3.587 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.478 -4.030 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.620 -2.697 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.124 -4.300 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.507 -4.112 1.910 1.00 0.00 H new ATOM 175 N SER A 14 -5.709 -5.685 2.649 1.00 0.00 N ATOM 176 CA SER A 14 -5.902 -5.604 4.083 1.00 0.00 C ATOM 177 C SER A 14 -6.369 -4.184 4.394 1.00 0.00 C ATOM 178 O SER A 14 -5.789 -3.233 3.869 1.00 0.00 O ATOM 179 CB SER A 14 -4.584 -5.907 4.796 1.00 0.00 C ATOM 180 OG SER A 14 -4.182 -7.230 4.496 1.00 0.00 O ATOM 0 H SER A 14 -4.772 -5.432 2.337 1.00 0.00 H new ATOM 0 HA SER A 14 -6.641 -6.328 4.425 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.816 -5.201 4.480 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.704 -5.787 5.873 1.00 0.00 H new ATOM 0 HG SER A 14 -3.267 -7.374 4.815 1.00 0.00 H new ATOM 185 N GLU A 15 -7.404 -4.053 5.226 1.00 0.00 N ATOM 186 CA GLU A 15 -7.771 -2.815 5.877 1.00 0.00 C ATOM 187 C GLU A 15 -6.767 -2.622 7.025 1.00 0.00 C ATOM 188 O GLU A 15 -5.581 -2.479 6.754 1.00 0.00 O ATOM 189 CB GLU A 15 -9.236 -2.974 6.314 1.00 0.00 C ATOM 190 CG GLU A 15 -9.801 -1.685 6.913 1.00 0.00 C ATOM 191 CD GLU A 15 -10.480 -1.938 8.251 1.00 0.00 C ATOM 192 OE1 GLU A 15 -9.771 -2.496 9.117 1.00 0.00 O ATOM 193 OE2 GLU A 15 -11.674 -1.596 8.374 1.00 0.00 O ATOM 0 H GLU A 15 -8.019 -4.831 5.465 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.721 -1.922 5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.840 -3.270 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.310 -3.777 7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.997 -0.961 7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.517 -1.244 6.219 1.00 0.00 H new ATOM 198 N CYS A 16 -7.215 -2.719 8.279 1.00 0.00 N ATOM 199 CA CYS A 16 -6.435 -2.715 9.515 1.00 0.00 C ATOM 200 C CYS A 16 -6.215 -1.316 10.088 1.00 0.00 C ATOM 201 O CYS A 16 -6.110 -0.335 9.357 1.00 0.00 O ATOM 202 CB CYS A 16 -5.121 -3.517 9.445 1.00 0.00 C ATOM 203 SG CYS A 16 -3.592 -2.595 9.788 1.00 0.00 S ATOM 0 H CYS A 16 -8.213 -2.810 8.469 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.068 -3.252 10.221 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.187 -4.344 10.152 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.040 -3.954 8.450 1.00 0.00 H new ATOM 207 N LEU A 17 -6.115 -1.237 11.421 1.00 0.00 N ATOM 208 CA LEU A 17 -5.726 -0.047 12.148 1.00 0.00 C ATOM 209 C LEU A 17 -4.230 -0.060 12.490 1.00 0.00 C ATOM 210 O LEU A 17 -3.590 0.990 12.491 1.00 0.00 O ATOM 211 CB LEU A 17 -6.642 0.106 13.370 1.00 0.00 C ATOM 212 CG LEU A 17 -6.574 -1.007 14.434 1.00 0.00 C ATOM 213 CD1 LEU A 17 -5.572 -0.672 15.548 1.00 0.00 C ATOM 214 CD2 LEU A 17 -7.956 -1.193 15.071 1.00 0.00 C ATOM 0 H LEU A 17 -6.311 -2.030 12.032 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.858 0.836 11.523 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.407 1.054 13.854 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.671 0.176 13.017 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.248 -1.918 13.932 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.555 -1.482 16.277 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.578 -0.549 15.118 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.871 0.253 16.040 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.907 -1.980 15.823 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.268 -0.261 15.541 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.677 -1.471 14.302 1.00 0.00 H new ATOM 225 N LEU A 18 -3.642 -1.231 12.778 1.00 0.00 N ATOM 226 CA LEU A 18 -2.251 -1.347 13.196 1.00 0.00 C ATOM 227 C LEU A 18 -1.302 -1.284 11.992 1.00 0.00 C ATOM 228 O LEU A 18 -0.624 -2.256 11.651 1.00 0.00 O ATOM 229 CB LEU A 18 -2.066 -2.602 14.053 1.00 0.00 C ATOM 230 CG LEU A 18 -2.628 -3.872 13.391 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.599 -4.983 13.527 1.00 0.00 C ATOM 232 CD2 LEU A 18 -3.942 -4.331 14.035 1.00 0.00 C ATOM 0 H LEU A 18 -4.128 -2.126 12.725 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.988 -0.493 13.821 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.004 -2.744 14.255 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.556 -2.453 15.015 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.834 -3.644 12.345 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.981 -5.892 13.063 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.674 -4.685 13.033 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.403 -5.170 14.583 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.298 -5.230 13.533 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.774 -4.547 15.090 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.689 -3.543 13.940 1.00 0.00 H new ATOM 243 N ASN A 19 -1.275 -0.101 11.375 1.00 0.00 N ATOM 244 CA ASN A 19 -0.423 0.359 10.283 1.00 0.00 C ATOM 245 C ASN A 19 0.663 -0.621 9.816 1.00 0.00 C ATOM 246 O ASN A 19 0.607 -1.116 8.689 1.00 0.00 O ATOM 247 CB ASN A 19 0.147 1.757 10.602 1.00 0.00 C ATOM 248 CG ASN A 19 0.968 1.872 11.887 1.00 0.00 C ATOM 249 OD1 ASN A 19 1.118 0.923 12.652 1.00 0.00 O ATOM 250 ND2 ASN A 19 1.502 3.059 12.142 1.00 0.00 N ATOM 0 H ASN A 19 -1.920 0.635 11.661 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.080 0.422 9.415 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.772 2.071 9.766 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.683 2.461 10.661 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.052 3.199 12.990 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.363 3.831 11.491 1.00 0.00 H new ATOM 256 N ASN A 20 1.664 -0.879 10.659 1.00 0.00 N ATOM 257 CA ASN A 20 2.885 -1.599 10.321 1.00 0.00 C ATOM 258 C ASN A 20 2.605 -2.998 9.774 1.00 0.00 C ATOM 259 O ASN A 20 3.413 -3.524 9.007 1.00 0.00 O ATOM 260 CB ASN A 20 3.811 -1.673 11.543 1.00 0.00 C ATOM 261 CG ASN A 20 4.348 -0.307 11.970 1.00 0.00 C ATOM 262 OD1 ASN A 20 4.150 0.698 11.295 1.00 0.00 O ATOM 263 ND2 ASN A 20 5.039 -0.253 13.105 1.00 0.00 N ATOM 0 H ASN A 20 1.642 -0.579 11.634 1.00 0.00 H new ATOM 0 HA ASN A 20 3.381 -1.042 9.526 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.269 -2.121 12.376 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.649 -2.332 11.317 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.417 0.637 13.430 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.191 -1.102 13.650 1.00 0.00 H new ATOM 269 N TYR A 21 1.466 -3.601 10.133 1.00 0.00 N ATOM 270 CA TYR A 21 1.043 -4.852 9.522 1.00 0.00 C ATOM 271 C TYR A 21 1.115 -4.770 7.994 1.00 0.00 C ATOM 272 O TYR A 21 1.671 -5.653 7.340 1.00 0.00 O ATOM 273 CB TYR A 21 -0.378 -5.189 9.983 1.00 0.00 C ATOM 274 CG TYR A 21 -0.982 -6.395 9.297 1.00 0.00 C ATOM 275 CD1 TYR A 21 -0.548 -7.689 9.637 1.00 0.00 C ATOM 276 CD2 TYR A 21 -1.923 -6.221 8.266 1.00 0.00 C ATOM 277 CE1 TYR A 21 -1.059 -8.807 8.954 1.00 0.00 C ATOM 278 CE2 TYR A 21 -2.431 -7.338 7.586 1.00 0.00 C ATOM 279 CZ TYR A 21 -1.995 -8.630 7.923 1.00 0.00 C ATOM 280 OH TYR A 21 -2.457 -9.707 7.229 1.00 0.00 O ATOM 0 H TYR A 21 0.827 -3.239 10.841 1.00 0.00 H new ATOM 0 HA TYR A 21 1.719 -5.646 9.839 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.367 -5.364 11.059 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.020 -4.326 9.807 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.179 -7.824 10.424 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.254 -5.228 7.998 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.732 -9.801 9.222 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.160 -7.204 6.801 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.099 -9.409 6.551 1.00 0.00 H new ATOM 289 N CYS A 22 0.560 -3.703 7.415 1.00 0.00 N ATOM 290 CA CYS A 22 0.457 -3.602 5.970 1.00 0.00 C ATOM 291 C CYS A 22 1.834 -3.502 5.346 1.00 0.00 C ATOM 292 O CYS A 22 2.111 -4.221 4.396 1.00 0.00 O ATOM 293 CB CYS A 22 -0.417 -2.424 5.562 1.00 0.00 C ATOM 294 SG CYS A 22 -1.975 -2.932 4.817 1.00 0.00 S ATOM 0 H CYS A 22 0.180 -2.906 7.926 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.021 -4.509 5.599 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.623 -1.810 6.439 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.131 -1.799 4.856 1.00 0.00 H new ATOM 298 N ASN A 23 2.704 -2.643 5.886 1.00 0.00 N ATOM 299 CA ASN A 23 4.103 -2.587 5.545 1.00 0.00 C ATOM 300 C ASN A 23 4.704 -3.986 5.483 1.00 0.00 C ATOM 301 O ASN A 23 5.189 -4.408 4.434 1.00 0.00 O ATOM 302 CB ASN A 23 4.753 -1.774 6.668 1.00 0.00 C ATOM 303 CG ASN A 23 6.076 -1.184 6.273 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.061 -1.883 6.074 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.100 0.136 6.215 1.00 0.00 N ATOM 0 H ASN A 23 2.434 -1.955 6.589 1.00 0.00 H new ATOM 0 HA ASN A 23 4.263 -2.138 4.565 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.078 -0.972 6.966 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.892 -2.414 7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.970 0.621 5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.249 0.670 6.390 1.00 0.00 H new ATOM 311 N ASN A 24 4.627 -4.716 6.602 1.00 0.00 N ATOM 312 CA ASN A 24 5.171 -6.043 6.740 1.00 0.00 C ATOM 313 C ASN A 24 4.742 -6.945 5.589 1.00 0.00 C ATOM 314 O ASN A 24 5.588 -7.490 4.885 1.00 0.00 O ATOM 315 CB ASN A 24 4.715 -6.598 8.089 1.00 0.00 C ATOM 316 CG ASN A 24 5.685 -7.667 8.528 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.428 -8.861 8.419 1.00 0.00 O ATOM 318 ND2 ASN A 24 6.830 -7.209 9.013 1.00 0.00 N ATOM 0 H ASN A 24 4.170 -4.378 7.449 1.00 0.00 H new ATOM 0 HA ASN A 24 6.260 -6.004 6.704 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.672 -5.800 8.830 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.710 -7.011 8.007 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.552 -7.862 9.319 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.990 -6.204 9.081 1.00 0.00 H new ATOM 324 N ILE A 25 3.432 -7.070 5.369 1.00 0.00 N ATOM 325 CA ILE A 25 2.884 -7.857 4.277 1.00 0.00 C ATOM 326 C ILE A 25 3.451 -7.374 2.951 1.00 0.00 C ATOM 327 O ILE A 25 3.787 -8.180 2.087 1.00 0.00 O ATOM 328 CB ILE A 25 1.352 -7.725 4.298 1.00 0.00 C ATOM 329 CG1 ILE A 25 0.773 -8.269 5.610 1.00 0.00 C ATOM 330 CG2 ILE A 25 0.693 -8.381 3.083 1.00 0.00 C ATOM 331 CD1 ILE A 25 0.707 -9.798 5.692 1.00 0.00 C ATOM 0 H ILE A 25 2.722 -6.623 5.950 1.00 0.00 H new ATOM 0 HA ILE A 25 3.157 -8.905 4.396 1.00 0.00 H new ATOM 0 HB ILE A 25 1.122 -6.661 4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.376 -7.899 6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.232 -7.867 5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.388 -8.260 3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.059 -7.908 2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.939 -9.443 3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.285 -10.093 6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.078 -10.179 4.887 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.711 -10.211 5.594 1.00 0.00 H new ATOM 342 N CYS A 26 3.527 -6.057 2.775 1.00 0.00 N ATOM 343 CA CYS A 26 3.848 -5.495 1.474 1.00 0.00 C ATOM 344 C CYS A 26 5.263 -5.803 1.027 1.00 0.00 C ATOM 345 O CYS A 26 5.498 -6.087 -0.147 1.00 0.00 O ATOM 346 CB CYS A 26 3.412 -4.037 1.270 1.00 0.00 C ATOM 347 SG CYS A 26 2.743 -3.937 -0.407 1.00 0.00 S ATOM 0 H CYS A 26 3.372 -5.368 3.511 1.00 0.00 H new ATOM 0 HA CYS A 26 3.207 -6.033 0.775 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.661 -3.749 2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.256 -3.358 1.393 1.00 0.00 H new ATOM 351 N THR A 27 6.194 -5.819 1.974 1.00 0.00 N ATOM 352 CA THR A 27 7.523 -6.355 1.689 1.00 0.00 C ATOM 353 C THR A 27 7.475 -7.881 1.523 1.00 0.00 C ATOM 354 O THR A 27 7.969 -8.407 0.528 1.00 0.00 O ATOM 355 CB THR A 27 8.612 -5.828 2.649 1.00 0.00 C ATOM 356 OG1 THR A 27 9.351 -6.875 3.244 1.00 0.00 O ATOM 357 CG2 THR A 27 8.086 -4.934 3.771 1.00 0.00 C ATOM 0 H THR A 27 6.061 -5.476 2.925 1.00 0.00 H new ATOM 0 HA THR A 27 7.844 -5.966 0.723 1.00 0.00 H new ATOM 0 HB THR A 27 9.250 -5.226 2.002 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.030 -6.498 3.842 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.917 -4.609 4.397 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.593 -4.062 3.341 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.372 -5.492 4.377 1.00 0.00 H new ATOM 365 N LYS A 28 6.854 -8.598 2.467 1.00 0.00 N ATOM 366 CA LYS A 28 6.898 -10.051 2.556 1.00 0.00 C ATOM 367 C LYS A 28 6.418 -10.702 1.253 1.00 0.00 C ATOM 368 O LYS A 28 7.066 -11.612 0.734 1.00 0.00 O ATOM 369 CB LYS A 28 6.061 -10.473 3.779 1.00 0.00 C ATOM 370 CG LYS A 28 6.360 -11.864 4.351 1.00 0.00 C ATOM 371 CD LYS A 28 5.987 -12.977 3.368 1.00 0.00 C ATOM 372 CE LYS A 28 5.820 -14.347 4.040 1.00 0.00 C ATOM 373 NZ LYS A 28 4.619 -14.418 4.898 1.00 0.00 N ATOM 0 H LYS A 28 6.296 -8.168 3.204 1.00 0.00 H new ATOM 0 HA LYS A 28 7.923 -10.397 2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.212 -9.737 4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.007 -10.434 3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.420 -11.936 4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.808 -12.001 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.058 -12.711 2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.757 -13.048 2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.760 -15.119 3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.704 -14.563 4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.440 -15.408 5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.772 -13.852 5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.799 -14.044 4.379 1.00 0.00 H new ATOM 383 N VAL A 29 5.253 -10.288 0.755 1.00 0.00 N ATOM 384 CA VAL A 29 4.563 -10.882 -0.353 1.00 0.00 C ATOM 385 C VAL A 29 4.940 -10.148 -1.643 1.00 0.00 C ATOM 386 O VAL A 29 5.408 -10.758 -2.599 1.00 0.00 O ATOM 387 CB VAL A 29 3.068 -10.763 -0.009 1.00 0.00 C ATOM 388 CG1 VAL A 29 2.227 -11.211 -1.184 1.00 0.00 C ATOM 389 CG2 VAL A 29 2.701 -11.601 1.224 1.00 0.00 C ATOM 0 H VAL A 29 4.753 -9.488 1.144 1.00 0.00 H new ATOM 0 HA VAL A 29 4.826 -11.927 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 29 2.867 -9.716 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.171 -11.123 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.446 -10.584 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.458 -12.250 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.637 -11.491 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.926 -12.650 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.279 -11.258 2.082 1.00 0.00 H new ATOM 399 N TYR A 30 4.666 -8.843 -1.691 1.00 0.00 N ATOM 400 CA TYR A 30 4.626 -8.076 -2.916 1.00 0.00 C ATOM 401 C TYR A 30 5.992 -7.501 -3.290 1.00 0.00 C ATOM 402 O TYR A 30 6.279 -7.352 -4.480 1.00 0.00 O ATOM 403 CB TYR A 30 3.570 -6.992 -2.707 1.00 0.00 C ATOM 404 CG TYR A 30 2.171 -7.527 -2.502 1.00 0.00 C ATOM 405 CD1 TYR A 30 1.564 -8.329 -3.482 1.00 0.00 C ATOM 406 CD2 TYR A 30 1.473 -7.223 -1.325 1.00 0.00 C ATOM 407 CE1 TYR A 30 0.313 -8.920 -3.219 1.00 0.00 C ATOM 408 CE2 TYR A 30 0.206 -7.757 -1.087 1.00 0.00 C ATOM 409 CZ TYR A 30 -0.363 -8.638 -2.017 1.00 0.00 C ATOM 410 OH TYR A 30 -1.565 -9.205 -1.738 1.00 0.00 O ATOM 0 H TYR A 30 4.463 -8.289 -0.859 1.00 0.00 H new ATOM 0 HA TYR A 30 4.363 -8.711 -3.762 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.848 -6.390 -1.842 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.571 -6.327 -3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.053 -8.491 -4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.921 -6.567 -0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.129 -9.591 -3.941 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.334 -7.493 -0.190 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.487 -10.180 -1.790 1.00 0.00 H new ATOM 419 N TYR A 31 6.805 -7.174 -2.285 1.00 0.00 N ATOM 420 CA TYR A 31 8.116 -6.543 -2.391 1.00 0.00 C ATOM 421 C TYR A 31 8.044 -5.046 -2.691 1.00 0.00 C ATOM 422 O TYR A 31 8.970 -4.472 -3.257 1.00 0.00 O ATOM 423 CB TYR A 31 9.130 -7.345 -3.196 1.00 0.00 C ATOM 424 CG TYR A 31 9.467 -8.682 -2.566 1.00 0.00 C ATOM 425 CD1 TYR A 31 8.591 -9.771 -2.718 1.00 0.00 C ATOM 426 CD2 TYR A 31 10.516 -8.756 -1.628 1.00 0.00 C ATOM 427 CE1 TYR A 31 8.684 -10.874 -1.855 1.00 0.00 C ATOM 428 CE2 TYR A 31 10.637 -9.882 -0.796 1.00 0.00 C ATOM 429 CZ TYR A 31 9.675 -10.902 -0.861 1.00 0.00 C ATOM 430 OH TYR A 31 9.660 -11.881 0.086 1.00 0.00 O ATOM 0 H TYR A 31 6.547 -7.355 -1.315 1.00 0.00 H new ATOM 0 HA TYR A 31 8.546 -6.574 -1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.738 -7.512 -4.199 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.044 -6.760 -3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.846 -9.759 -3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.227 -7.947 -1.549 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.995 -11.699 -1.955 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.467 -9.962 -0.109 1.00 0.00 H new ATOM 0 HH TYR A 31 8.744 -12.006 0.412 1.00 0.00 H new ATOM 439 N ALA A 32 6.988 -4.384 -2.203 1.00 0.00 N ATOM 440 CA ALA A 32 7.109 -3.014 -1.741 1.00 0.00 C ATOM 441 C ALA A 32 8.246 -2.869 -0.712 1.00 0.00 C ATOM 442 O ALA A 32 8.684 -3.857 -0.125 1.00 0.00 O ATOM 443 CB ALA A 32 5.787 -2.697 -1.061 1.00 0.00 C ATOM 0 H ALA A 32 6.051 -4.779 -2.122 1.00 0.00 H new ATOM 0 HA ALA A 32 7.333 -2.345 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.807 -1.674 -0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.974 -2.805 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.631 -3.385 -0.230 1.00 0.00 H new ATOM 449 N THR A 33 8.693 -1.640 -0.453 1.00 0.00 N ATOM 450 CA THR A 33 9.619 -1.322 0.617 1.00 0.00 C ATOM 451 C THR A 33 8.822 -1.094 1.906 1.00 0.00 C ATOM 452 O THR A 33 8.654 -2.011 2.705 1.00 0.00 O ATOM 453 CB THR A 33 10.458 -0.102 0.205 1.00 0.00 C ATOM 454 OG1 THR A 33 9.612 0.960 -0.211 1.00 0.00 O ATOM 455 CG2 THR A 33 11.394 -0.461 -0.953 1.00 0.00 C ATOM 0 H THR A 33 8.411 -0.825 -0.997 1.00 0.00 H new ATOM 0 HA THR A 33 10.313 -2.141 0.804 1.00 0.00 H new ATOM 0 HB THR A 33 11.045 0.208 1.069 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.158 1.731 -0.469 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.980 0.415 -1.232 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.064 -1.263 -0.644 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.804 -0.790 -1.809 1.00 0.00 H new ATOM 463 N SER A 34 8.329 0.131 2.095 1.00 0.00 N ATOM 464 CA SER A 34 7.468 0.526 3.205 1.00 0.00 C ATOM 465 C SER A 34 5.995 0.316 2.816 1.00 0.00 C ATOM 466 O SER A 34 5.712 -0.425 1.877 1.00 0.00 O ATOM 467 CB SER A 34 7.793 1.974 3.604 1.00 0.00 C ATOM 468 OG SER A 34 9.196 2.141 3.685 1.00 0.00 O ATOM 0 H SER A 34 8.527 0.901 1.455 1.00 0.00 H new ATOM 0 HA SER A 34 7.650 -0.096 4.081 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.376 2.666 2.872 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.333 2.209 4.564 1.00 0.00 H new ATOM 0 HG SER A 34 9.401 3.065 3.938 1.00 0.00 H new ATOM 473 N GLY A 35 5.051 0.986 3.491 1.00 0.00 N ATOM 474 CA GLY A 35 3.611 0.770 3.342 1.00 0.00 C ATOM 475 C GLY A 35 2.958 0.927 4.700 1.00 0.00 C ATOM 476 O GLY A 35 3.652 1.206 5.678 1.00 0.00 O ATOM 0 H GLY A 35 5.277 1.711 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.192 1.486 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.417 -0.225 2.941 1.00 0.00 H new ATOM 480 N TYR A 36 1.637 0.760 4.743 1.00 0.00 N ATOM 481 CA TYR A 36 0.817 0.833 5.943 1.00 0.00 C ATOM 482 C TYR A 36 -0.654 0.738 5.542 1.00 0.00 C ATOM 483 O TYR A 36 -0.997 0.812 4.360 1.00 0.00 O ATOM 484 CB TYR A 36 1.101 2.092 6.786 1.00 0.00 C ATOM 485 CG TYR A 36 1.146 3.388 6.009 1.00 0.00 C ATOM 486 CD1 TYR A 36 0.024 3.831 5.284 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.345 4.116 5.950 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.161 4.871 4.353 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.446 5.209 5.082 1.00 0.00 C ATOM 490 CZ TYR A 36 1.391 5.531 4.231 1.00 0.00 C ATOM 491 OH TYR A 36 1.635 6.413 3.233 1.00 0.00 O ATOM 0 H TYR A 36 1.090 0.562 3.905 1.00 0.00 H new ATOM 0 HA TYR A 36 1.074 -0.008 6.588 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.334 2.175 7.556 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.054 1.960 7.298 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.940 3.371 5.444 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.183 3.835 6.570 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.676 5.161 3.735 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.346 5.806 5.072 1.00 0.00 H new ATOM 0 HH TYR A 36 1.501 5.973 2.368 1.00 0.00 H new ATOM 500 N CYS A 37 -1.511 0.553 6.542 1.00 0.00 N ATOM 501 CA CYS A 37 -2.951 0.433 6.385 1.00 0.00 C ATOM 502 C CYS A 37 -3.507 1.837 6.138 1.00 0.00 C ATOM 503 O CYS A 37 -3.615 2.627 7.073 1.00 0.00 O ATOM 504 CB CYS A 37 -3.540 -0.237 7.637 1.00 0.00 C ATOM 505 SG CYS A 37 -2.830 -1.873 7.991 1.00 0.00 S ATOM 0 H CYS A 37 -1.209 0.481 7.514 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.223 -0.196 5.537 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.378 0.413 8.497 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.618 -0.338 7.512 1.00 0.00 H new ATOM 509 N CYS A 38 -3.779 2.181 4.876 1.00 0.00 N ATOM 510 CA CYS A 38 -4.255 3.502 4.471 1.00 0.00 C ATOM 511 C CYS A 38 -5.784 3.489 4.371 1.00 0.00 C ATOM 512 O CYS A 38 -6.382 2.427 4.219 1.00 0.00 O ATOM 513 CB CYS A 38 -3.637 3.874 3.118 1.00 0.00 C ATOM 514 SG CYS A 38 -4.220 5.425 2.382 1.00 0.00 S ATOM 0 H CYS A 38 -3.672 1.535 4.094 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.957 4.243 5.213 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.555 3.935 3.239 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.834 3.064 2.415 1.00 0.00 H new ATOM 518 N LEU A 39 -6.384 4.683 4.414 1.00 0.00 N ATOM 519 CA LEU A 39 -7.782 5.075 4.339 1.00 0.00 C ATOM 520 C LEU A 39 -8.780 4.036 3.812 1.00 0.00 C ATOM 521 O LEU A 39 -9.880 3.951 4.355 1.00 0.00 O ATOM 522 CB LEU A 39 -7.844 6.408 3.565 1.00 0.00 C ATOM 523 CG LEU A 39 -7.631 7.657 4.444 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.846 7.918 5.348 1.00 0.00 C ATOM 525 CD2 LEU A 39 -6.356 7.621 5.297 1.00 0.00 C ATOM 0 H LEU A 39 -5.804 5.516 4.518 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.132 5.182 5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.087 6.396 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.813 6.485 3.072 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.510 8.476 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.664 8.805 5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.731 8.075 4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.006 7.059 6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.285 8.537 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.391 6.763 5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.485 7.538 4.647 1.00 0.00 H new ATOM 536 N LEU A 40 -8.453 3.271 2.765 1.00 0.00 N ATOM 537 CA LEU A 40 -9.294 2.151 2.354 1.00 0.00 C ATOM 538 C LEU A 40 -8.530 0.988 1.701 1.00 0.00 C ATOM 539 O LEU A 40 -9.168 0.115 1.119 1.00 0.00 O ATOM 540 CB LEU A 40 -10.466 2.660 1.493 1.00 0.00 C ATOM 541 CG LEU A 40 -10.123 3.624 0.359 1.00 0.00 C ATOM 542 CD1 LEU A 40 -9.073 3.088 -0.621 1.00 0.00 C ATOM 543 CD2 LEU A 40 -11.399 4.000 -0.402 1.00 0.00 C ATOM 0 H LEU A 40 -7.619 3.408 2.194 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.699 1.709 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.971 1.795 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.182 3.152 2.151 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.679 4.502 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.885 3.831 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.147 2.881 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.439 2.170 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.151 4.688 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.853 3.100 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.101 4.479 0.280 1.00 0.00 H new ATOM 554 N SER A 41 -7.192 0.943 1.802 1.00 0.00 N ATOM 555 CA SER A 41 -6.388 -0.074 1.128 1.00 0.00 C ATOM 556 C SER A 41 -4.998 -0.177 1.758 1.00 0.00 C ATOM 557 O SER A 41 -4.602 0.667 2.562 1.00 0.00 O ATOM 558 CB SER A 41 -6.216 0.257 -0.361 1.00 0.00 C ATOM 559 OG SER A 41 -7.429 0.330 -1.079 1.00 0.00 O ATOM 0 H SER A 41 -6.646 1.608 2.350 1.00 0.00 H new ATOM 0 HA SER A 41 -6.916 -1.021 1.237 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.694 1.210 -0.452 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.580 -0.500 -0.819 1.00 0.00 H new ATOM 0 HG SER A 41 -7.242 0.545 -2.017 1.00 0.00 H new ATOM 564 N CYS A 42 -4.240 -1.192 1.336 1.00 0.00 N ATOM 565 CA CYS A 42 -2.917 -1.498 1.855 1.00 0.00 C ATOM 566 C CYS A 42 -1.830 -0.874 0.998 1.00 0.00 C ATOM 567 O CYS A 42 -1.558 -1.314 -0.130 1.00 0.00 O ATOM 568 CB CYS A 42 -2.768 -3.015 1.926 1.00 0.00 C ATOM 569 SG CYS A 42 -1.407 -3.608 2.937 1.00 0.00 S ATOM 0 H CYS A 42 -4.543 -1.836 0.605 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.807 -1.073 2.853 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.696 -3.437 2.312 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.641 -3.399 0.914 1.00 0.00 H new ATOM 573 N TYR A 43 -1.269 0.203 1.554 1.00 0.00 N ATOM 574 CA TYR A 43 -0.257 1.018 0.931 1.00 0.00 C ATOM 575 C TYR A 43 1.083 0.398 1.104 1.00 0.00 C ATOM 576 O TYR A 43 1.320 -0.349 2.052 1.00 0.00 O ATOM 577 CB TYR A 43 -0.160 2.383 1.593 1.00 0.00 C ATOM 578 CG TYR A 43 0.335 3.486 0.655 1.00 0.00 C ATOM 579 CD1 TYR A 43 -0.208 3.654 -0.636 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.541 4.137 0.964 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.423 4.481 -1.583 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.134 5.022 0.048 1.00 0.00 C ATOM 583 CZ TYR A 43 1.520 5.257 -1.194 1.00 0.00 C ATOM 584 OH TYR A 43 1.962 6.231 -2.035 1.00 0.00 O ATOM 0 H TYR A 43 -1.526 0.532 2.485 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.537 1.108 -0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.141 2.660 1.980 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.513 2.316 2.448 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.121 3.141 -0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.017 3.955 1.916 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.064 4.516 -2.601 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.059 5.520 0.298 1.00 0.00 H new ATOM 0 HH TYR A 43 2.729 6.688 -1.632 1.00 0.00 H new ATOM 593 N CYS A 44 1.947 0.793 0.184 1.00 0.00 N ATOM 594 CA CYS A 44 3.118 0.082 -0.135 1.00 0.00 C ATOM 595 C CYS A 44 4.007 1.080 -0.857 1.00 0.00 C ATOM 596 O CYS A 44 3.550 1.685 -1.824 1.00 0.00 O ATOM 597 CB CYS A 44 2.625 -0.953 -1.095 1.00 0.00 C ATOM 598 SG CYS A 44 1.536 -2.271 -0.507 1.00 0.00 S ATOM 0 H CYS A 44 1.826 1.645 -0.363 1.00 0.00 H new ATOM 0 HA CYS A 44 3.660 -0.360 0.701 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.102 -0.431 -1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.499 -1.427 -1.541 1.00 0.00 H new ATOM 602 N PHE A 45 5.239 1.286 -0.404 1.00 0.00 N ATOM 603 CA PHE A 45 6.178 2.162 -1.075 1.00 0.00 C ATOM 604 C PHE A 45 7.027 1.301 -1.997 1.00 0.00 C ATOM 605 O PHE A 45 7.058 0.084 -1.850 1.00 0.00 O ATOM 606 CB PHE A 45 7.016 2.956 -0.073 1.00 0.00 C ATOM 607 CG PHE A 45 6.258 4.025 0.698 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.225 3.658 1.576 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.605 5.384 0.577 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.606 4.615 2.389 1.00 0.00 C ATOM 611 CE2 PHE A 45 5.888 6.362 1.291 1.00 0.00 C ATOM 612 CZ PHE A 45 4.905 5.975 2.217 1.00 0.00 C ATOM 0 H PHE A 45 5.610 0.848 0.439 1.00 0.00 H new ATOM 0 HA PHE A 45 5.650 2.912 -1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.457 2.260 0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.840 3.430 -0.607 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.905 2.628 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.423 5.676 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.900 4.307 3.146 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.093 7.410 1.127 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.381 6.722 2.795 1.00 0.00 H new ATOM 621 N GLY A 46 7.690 1.903 -2.978 1.00 0.00 N ATOM 622 CA GLY A 46 8.519 1.156 -3.902 1.00 0.00 C ATOM 623 C GLY A 46 7.720 0.135 -4.717 1.00 0.00 C ATOM 624 O GLY A 46 8.291 -0.856 -5.163 1.00 0.00 O ATOM 0 H GLY A 46 7.666 2.908 -3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.015 1.849 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.301 0.639 -3.346 1.00 0.00 H new ATOM 628 N LEU A 47 6.414 0.354 -4.944 1.00 0.00 N ATOM 629 CA LEU A 47 5.716 -0.430 -5.955 1.00 0.00 C ATOM 630 C LEU A 47 6.314 -0.054 -7.300 1.00 0.00 C ATOM 631 O LEU A 47 6.219 1.101 -7.717 1.00 0.00 O ATOM 632 CB LEU A 47 4.202 -0.201 -5.974 1.00 0.00 C ATOM 633 CG LEU A 47 3.452 -0.562 -4.691 1.00 0.00 C ATOM 634 CD1 LEU A 47 2.130 -1.248 -5.005 1.00 0.00 C ATOM 635 CD2 LEU A 47 4.104 -1.553 -3.785 1.00 0.00 C ATOM 0 H LEU A 47 5.844 1.044 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 47 5.847 -1.487 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.016 0.850 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.777 -0.780 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 47 3.387 0.412 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.618 -1.494 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.505 -0.580 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.319 -2.162 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.471 -1.721 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.246 -2.494 -4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.072 -1.169 -3.462 1.00 0.00 H new ATOM 646 N ASP A 48 6.986 -1.015 -7.916 1.00 0.00 N ATOM 647 CA ASP A 48 7.880 -0.834 -9.050 1.00 0.00 C ATOM 648 C ASP A 48 7.331 -1.698 -10.176 1.00 0.00 C ATOM 649 O ASP A 48 6.769 -1.197 -11.148 1.00 0.00 O ATOM 650 CB ASP A 48 9.292 -1.234 -8.595 1.00 0.00 C ATOM 651 CG ASP A 48 10.380 -0.831 -9.568 1.00 0.00 C ATOM 652 OD1 ASP A 48 10.083 -0.309 -10.665 1.00 0.00 O ATOM 653 OD2 ASP A 48 11.563 -0.913 -9.173 1.00 0.00 O ATOM 0 H ASP A 48 6.919 -1.990 -7.624 1.00 0.00 H new ATOM 0 HA ASP A 48 7.940 0.193 -9.411 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.495 -0.778 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.326 -2.314 -8.452 1.00 0.00 H new ATOM 657 N ASP A 49 7.347 -3.011 -9.930 1.00 0.00 N ATOM 658 CA ASP A 49 6.335 -3.912 -10.454 1.00 0.00 C ATOM 659 C ASP A 49 4.949 -3.378 -10.064 1.00 0.00 C ATOM 660 O ASP A 49 4.798 -2.676 -9.059 1.00 0.00 O ATOM 661 CB ASP A 49 6.584 -5.310 -9.877 1.00 0.00 C ATOM 662 CG ASP A 49 5.527 -6.330 -10.266 1.00 0.00 C ATOM 663 OD1 ASP A 49 4.889 -6.138 -11.322 1.00 0.00 O ATOM 664 OD2 ASP A 49 5.337 -7.252 -9.442 1.00 0.00 O ATOM 0 H ASP A 49 8.061 -3.471 -9.364 1.00 0.00 H new ATOM 0 HA ASP A 49 6.383 -3.973 -11.541 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.558 -5.664 -10.214 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.628 -5.242 -8.790 1.00 0.00 H new ATOM 668 N ASP A 50 3.941 -3.719 -10.860 1.00 0.00 N ATOM 669 CA ASP A 50 2.589 -3.216 -10.770 1.00 0.00 C ATOM 670 C ASP A 50 1.657 -4.419 -10.672 1.00 0.00 C ATOM 671 O ASP A 50 1.210 -5.034 -11.639 1.00 0.00 O ATOM 672 CB ASP A 50 2.222 -2.351 -11.957 1.00 0.00 C ATOM 673 CG ASP A 50 1.004 -1.492 -11.660 1.00 0.00 C ATOM 674 OD1 ASP A 50 -0.039 -2.068 -11.280 1.00 0.00 O ATOM 675 OD2 ASP A 50 1.166 -0.253 -11.743 1.00 0.00 O ATOM 0 H ASP A 50 4.059 -4.388 -11.621 1.00 0.00 H new ATOM 0 HA ASP A 50 2.497 -2.580 -9.890 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.065 -1.712 -12.218 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.021 -2.983 -12.822 1.00 0.00 H new ATOM 679 N LYS A 51 1.386 -4.736 -9.429 1.00 0.00 N ATOM 680 CA LYS A 51 0.493 -5.789 -8.970 1.00 0.00 C ATOM 681 C LYS A 51 -0.963 -5.354 -9.179 1.00 0.00 C ATOM 682 O LYS A 51 -1.753 -5.369 -8.237 1.00 0.00 O ATOM 683 CB LYS A 51 0.772 -6.101 -7.492 1.00 0.00 C ATOM 684 CG LYS A 51 2.164 -6.680 -7.210 1.00 0.00 C ATOM 685 CD LYS A 51 3.297 -5.659 -7.382 1.00 0.00 C ATOM 686 CE LYS A 51 4.515 -6.018 -6.529 1.00 0.00 C ATOM 687 NZ LYS A 51 5.098 -7.333 -6.855 1.00 0.00 N ATOM 0 H LYS A 51 1.811 -4.232 -8.651 1.00 0.00 H new ATOM 0 HA LYS A 51 0.667 -6.698 -9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.650 -5.186 -6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.021 -6.806 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.188 -7.069 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.341 -7.523 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.588 -5.612 -8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.939 -4.667 -7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.278 -5.250 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.227 -6.008 -5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.897 -7.526 -6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.375 -8.072 -6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.434 -7.330 -7.839 1.00 0.00 H new ATOM 697 N ALA A 52 -1.297 -4.938 -10.408 1.00 0.00 N ATOM 698 CA ALA A 52 -2.548 -4.284 -10.770 1.00 0.00 C ATOM 699 C ALA A 52 -2.931 -3.277 -9.688 1.00 0.00 C ATOM 700 O ALA A 52 -3.987 -3.400 -9.065 1.00 0.00 O ATOM 701 CB ALA A 52 -3.635 -5.341 -11.004 1.00 0.00 C ATOM 0 H ALA A 52 -0.672 -5.056 -11.206 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.431 -3.730 -11.702 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.569 -4.849 -11.274 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.328 -6.006 -11.811 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.781 -5.921 -10.093 1.00 0.00 H new ATOM 707 N VAL A 53 -2.024 -2.334 -9.412 1.00 0.00 N ATOM 708 CA VAL A 53 -2.048 -1.643 -8.130 1.00 0.00 C ATOM 709 C VAL A 53 -3.349 -0.864 -7.958 1.00 0.00 C ATOM 710 O VAL A 53 -3.919 -0.338 -8.915 1.00 0.00 O ATOM 711 CB VAL A 53 -0.807 -0.760 -7.896 1.00 0.00 C ATOM 712 CG1 VAL A 53 0.466 -1.613 -7.968 1.00 0.00 C ATOM 713 CG2 VAL A 53 -0.728 0.435 -8.843 1.00 0.00 C ATOM 0 H VAL A 53 -1.282 -2.040 -10.047 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.009 -2.409 -7.356 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.900 -0.337 -6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.338 -0.980 -7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.428 -2.388 -7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.537 -2.078 -8.951 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.169 1.014 -8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.689 0.081 -9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.608 1.064 -8.709 1.00 0.00 H new ATOM 723 N LEU A 54 -3.845 -0.834 -6.724 1.00 0.00 N ATOM 724 CA LEU A 54 -5.192 -0.368 -6.470 1.00 0.00 C ATOM 725 C LEU A 54 -5.355 1.135 -6.623 1.00 0.00 C ATOM 726 O LEU A 54 -4.417 1.902 -6.835 1.00 0.00 O ATOM 727 CB LEU A 54 -5.717 -0.894 -5.128 1.00 0.00 C ATOM 728 CG LEU A 54 -6.722 -2.030 -5.372 1.00 0.00 C ATOM 729 CD1 LEU A 54 -6.103 -3.195 -6.153 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.216 -2.536 -4.022 1.00 0.00 C ATOM 0 H LEU A 54 -3.332 -1.127 -5.892 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.821 -0.792 -7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.888 -1.254 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.194 -0.087 -4.572 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.543 -1.636 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.852 -3.973 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.754 -2.839 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.262 -3.603 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.931 -3.344 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.371 -2.905 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.699 -1.721 -3.483 1.00 0.00 H new ATOM 741 N LYS A 55 -6.620 1.529 -6.523 1.00 0.00 N ATOM 742 CA LYS A 55 -7.113 2.830 -6.937 1.00 0.00 C ATOM 743 C LYS A 55 -6.853 3.860 -5.839 1.00 0.00 C ATOM 744 O LYS A 55 -7.768 4.371 -5.195 1.00 0.00 O ATOM 745 CB LYS A 55 -8.583 2.729 -7.376 1.00 0.00 C ATOM 746 CG LYS A 55 -8.747 2.289 -8.843 1.00 0.00 C ATOM 747 CD LYS A 55 -8.097 0.934 -9.172 1.00 0.00 C ATOM 748 CE LYS A 55 -8.246 0.534 -10.648 1.00 0.00 C ATOM 749 NZ LYS A 55 -9.650 0.303 -11.047 1.00 0.00 N ATOM 0 H LYS A 55 -7.351 0.930 -6.139 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.568 3.181 -7.814 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.101 2.020 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.065 3.697 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.810 2.236 -9.078 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.316 3.053 -9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.038 0.975 -8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.545 0.162 -8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.820 1.317 -11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.668 -0.372 -10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.683 0.004 -12.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.063 -0.440 -10.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.193 1.183 -10.932 1.00 0.00 H new ATOM 759 N ILE A 56 -5.573 4.184 -5.660 1.00 0.00 N ATOM 760 CA ILE A 56 -5.189 5.440 -5.040 1.00 0.00 C ATOM 761 C ILE A 56 -5.809 6.577 -5.854 1.00 0.00 C ATOM 762 O ILE A 56 -5.832 6.537 -7.083 1.00 0.00 O ATOM 763 CB ILE A 56 -3.658 5.614 -4.906 1.00 0.00 C ATOM 764 CG1 ILE A 56 -2.845 4.719 -5.855 1.00 0.00 C ATOM 765 CG2 ILE A 56 -3.173 5.390 -3.467 1.00 0.00 C ATOM 766 CD1 ILE A 56 -1.347 4.917 -5.671 1.00 0.00 C ATOM 0 H ILE A 56 -4.790 3.592 -5.937 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.564 5.451 -4.017 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.479 6.650 -5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.099 3.674 -5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.117 4.941 -6.887 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.092 5.523 -3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.655 6.109 -2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.428 4.378 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.807 4.267 -6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.090 5.956 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.070 4.670 -4.646 1.00 0.00 H new ATOM 777 N LYS A 57 -6.321 7.574 -5.140 1.00 0.00 N ATOM 778 CA LYS A 57 -6.770 8.846 -5.643 1.00 0.00 C ATOM 779 C LYS A 57 -5.648 9.818 -5.314 1.00 0.00 C ATOM 780 O LYS A 57 -4.972 9.634 -4.306 1.00 0.00 O ATOM 781 CB LYS A 57 -8.037 9.295 -4.905 1.00 0.00 C ATOM 782 CG LYS A 57 -9.132 8.214 -4.752 1.00 0.00 C ATOM 783 CD LYS A 57 -8.993 7.271 -3.536 1.00 0.00 C ATOM 784 CE LYS A 57 -9.561 7.844 -2.223 1.00 0.00 C ATOM 785 NZ LYS A 57 -9.073 7.121 -1.020 1.00 0.00 N ATOM 0 H LYS A 57 -6.436 7.499 -4.129 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.997 8.797 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.754 9.645 -3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.463 10.147 -5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.099 8.712 -4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.143 7.607 -5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.500 6.332 -3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.938 7.037 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.289 8.897 -2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.650 7.797 -2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.883 6.834 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.542 6.276 -1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.451 7.746 -0.468 1.00 0.00 H new ATOM 795 N ASP A 58 -5.478 10.862 -6.105 1.00 0.00 N ATOM 796 CA ASP A 58 -4.367 11.780 -6.048 1.00 0.00 C ATOM 797 C ASP A 58 -4.192 12.296 -4.623 1.00 0.00 C ATOM 798 O ASP A 58 -3.197 12.021 -3.951 1.00 0.00 O ATOM 799 CB ASP A 58 -4.689 12.901 -7.043 1.00 0.00 C ATOM 800 CG ASP A 58 -5.010 12.378 -8.438 1.00 0.00 C ATOM 801 OD1 ASP A 58 -6.077 11.731 -8.536 1.00 0.00 O ATOM 802 OD2 ASP A 58 -4.187 12.608 -9.348 1.00 0.00 O ATOM 0 H ASP A 58 -6.146 11.100 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.422 11.307 -6.316 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.536 13.477 -6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.841 13.583 -7.102 1.00 0.00 H new ATOM 806 N ALA A 59 -5.233 12.967 -4.136 1.00 0.00 N ATOM 807 CA ALA A 59 -5.296 13.457 -2.774 1.00 0.00 C ATOM 808 C ALA A 59 -5.036 12.346 -1.758 1.00 0.00 C ATOM 809 O ALA A 59 -4.361 12.590 -0.760 1.00 0.00 O ATOM 810 CB ALA A 59 -6.650 14.127 -2.525 1.00 0.00 C ATOM 0 H ALA A 59 -6.063 13.185 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.506 14.196 -2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.691 14.493 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.775 14.962 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.449 13.403 -2.684 1.00 0.00 H new ATOM 816 N THR A 60 -5.542 11.126 -1.986 1.00 0.00 N ATOM 817 CA THR A 60 -5.307 10.057 -1.034 1.00 0.00 C ATOM 818 C THR A 60 -3.836 9.648 -1.082 1.00 0.00 C ATOM 819 O THR A 60 -3.307 9.221 -0.063 1.00 0.00 O ATOM 820 CB THR A 60 -6.257 8.869 -1.275 1.00 0.00 C ATOM 821 OG1 THR A 60 -6.969 8.503 -0.106 1.00 0.00 O ATOM 822 CG2 THR A 60 -5.547 7.612 -1.769 1.00 0.00 C ATOM 0 H THR A 60 -6.100 10.869 -2.800 1.00 0.00 H new ATOM 0 HA THR A 60 -5.526 10.417 -0.029 1.00 0.00 H new ATOM 0 HB THR A 60 -6.936 9.233 -2.046 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.645 7.636 0.217 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.277 6.816 -1.917 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.045 7.825 -2.713 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.811 7.296 -1.030 1.00 0.00 H new ATOM 830 N LYS A 61 -3.179 9.704 -2.246 1.00 0.00 N ATOM 831 CA LYS A 61 -1.859 9.211 -2.429 1.00 0.00 C ATOM 832 C LYS A 61 -0.997 10.192 -1.658 1.00 0.00 C ATOM 833 O LYS A 61 -0.244 9.774 -0.797 1.00 0.00 O ATOM 834 CB LYS A 61 -1.653 9.160 -3.943 1.00 0.00 C ATOM 835 CG LYS A 61 -0.401 8.423 -4.403 1.00 0.00 C ATOM 836 CD LYS A 61 0.759 9.369 -4.142 1.00 0.00 C ATOM 837 CE LYS A 61 2.054 8.906 -4.835 1.00 0.00 C ATOM 838 NZ LYS A 61 2.629 7.677 -4.245 1.00 0.00 N ATOM 0 H LYS A 61 -3.582 10.108 -3.091 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.624 8.212 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.523 8.684 -4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.614 10.181 -4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.274 7.489 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.465 8.166 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.498 10.367 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.930 9.444 -3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.850 8.732 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.792 9.706 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.910 7.025 -5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.463 7.923 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.919 7.217 -3.640 1.00 0.00 H new ATOM 848 N SER A 62 -1.162 11.493 -1.902 1.00 0.00 N ATOM 849 CA SER A 62 -0.499 12.507 -1.089 1.00 0.00 C ATOM 850 C SER A 62 -0.686 12.238 0.414 1.00 0.00 C ATOM 851 O SER A 62 0.294 12.070 1.148 1.00 0.00 O ATOM 852 CB SER A 62 -1.018 13.894 -1.486 1.00 0.00 C ATOM 853 OG SER A 62 -0.960 14.038 -2.891 1.00 0.00 O ATOM 0 H SER A 62 -1.745 11.865 -2.651 1.00 0.00 H new ATOM 0 HA SER A 62 0.574 12.466 -1.278 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.043 14.023 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.420 14.668 -1.006 1.00 0.00 H new ATOM 0 HG SER A 62 -1.294 14.924 -3.143 1.00 0.00 H new ATOM 858 N TYR A 63 -1.949 12.166 0.854 1.00 0.00 N ATOM 859 CA TYR A 63 -2.338 11.914 2.239 1.00 0.00 C ATOM 860 C TYR A 63 -1.605 10.696 2.796 1.00 0.00 C ATOM 861 O TYR A 63 -1.147 10.703 3.937 1.00 0.00 O ATOM 862 CB TYR A 63 -3.859 11.693 2.303 1.00 0.00 C ATOM 863 CG TYR A 63 -4.515 11.552 3.669 1.00 0.00 C ATOM 864 CD1 TYR A 63 -3.982 12.202 4.801 1.00 0.00 C ATOM 865 CD2 TYR A 63 -5.780 10.931 3.763 1.00 0.00 C ATOM 866 CE1 TYR A 63 -4.713 12.253 6.000 1.00 0.00 C ATOM 867 CE2 TYR A 63 -6.548 11.074 4.931 1.00 0.00 C ATOM 868 CZ TYR A 63 -6.007 11.715 6.057 1.00 0.00 C ATOM 869 OH TYR A 63 -6.731 11.817 7.208 1.00 0.00 O ATOM 0 H TYR A 63 -2.749 12.286 0.233 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.066 12.777 2.847 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.337 12.527 1.790 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.088 10.794 1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.007 12.663 4.746 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.157 10.346 2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.278 12.707 6.878 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.557 10.690 4.963 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.607 11.395 7.082 1.00 0.00 H new ATOM 878 N CYS A 64 -1.513 9.652 1.976 1.00 0.00 N ATOM 879 CA CYS A 64 -0.840 8.403 2.278 1.00 0.00 C ATOM 880 C CYS A 64 0.453 8.271 1.476 1.00 0.00 C ATOM 881 O CYS A 64 0.671 7.208 0.906 1.00 0.00 O ATOM 882 CB CYS A 64 -1.783 7.216 2.004 1.00 0.00 C ATOM 883 SG CYS A 64 -3.091 6.960 3.220 1.00 0.00 S ATOM 0 H CYS A 64 -1.926 9.660 1.043 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.574 8.398 3.335 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.244 7.360 1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.185 6.307 1.944 1.00 0.00 H new ATOM 887 N ASP A 65 1.355 9.261 1.480 1.00 0.00 N ATOM 888 CA ASP A 65 2.742 9.047 1.053 1.00 0.00 C ATOM 889 C ASP A 65 3.716 9.802 1.958 1.00 0.00 C ATOM 890 O ASP A 65 4.628 9.219 2.549 1.00 0.00 O ATOM 891 CB ASP A 65 2.899 9.452 -0.413 1.00 0.00 C ATOM 892 CG ASP A 65 4.114 8.792 -1.038 1.00 0.00 C ATOM 893 OD1 ASP A 65 5.240 9.145 -0.650 1.00 0.00 O ATOM 894 OD2 ASP A 65 3.896 7.913 -1.910 1.00 0.00 O ATOM 0 H ASP A 65 1.149 10.216 1.774 1.00 0.00 H new ATOM 0 HA ASP A 65 2.983 7.988 1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.004 9.172 -0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.993 10.536 -0.486 1.00 0.00 H new ATOM 898 N VAL A 66 3.447 11.101 2.135 1.00 0.00 N ATOM 899 CA VAL A 66 4.204 12.000 3.009 1.00 0.00 C ATOM 900 C VAL A 66 4.464 11.366 4.383 1.00 0.00 C ATOM 901 O VAL A 66 5.525 11.561 4.971 1.00 0.00 O ATOM 902 CB VAL A 66 3.464 13.347 3.122 1.00 0.00 C ATOM 903 CG1 VAL A 66 4.199 14.318 4.056 1.00 0.00 C ATOM 904 CG2 VAL A 66 3.326 14.019 1.747 1.00 0.00 C ATOM 0 H VAL A 66 2.674 11.567 1.660 1.00 0.00 H new ATOM 0 HA VAL A 66 5.185 12.181 2.569 1.00 0.00 H new ATOM 0 HB VAL A 66 2.478 13.125 3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.648 15.257 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.271 13.881 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.200 14.507 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.800 14.967 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.316 14.199 1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.763 13.367 1.078 1.00 0.00 H new ATOM 914 N GLN A 67 3.484 10.589 4.850 1.00 0.00 N ATOM 915 CA GLN A 67 3.460 9.744 6.029 1.00 0.00 C ATOM 916 C GLN A 67 4.844 9.265 6.462 1.00 0.00 C ATOM 917 O GLN A 67 5.321 9.616 7.537 1.00 0.00 O ATOM 918 CB GLN A 67 2.568 8.548 5.670 1.00 0.00 C ATOM 919 CG GLN A 67 1.090 8.936 5.574 1.00 0.00 C ATOM 920 CD GLN A 67 0.449 9.368 6.843 1.00 0.00 C ATOM 921 OE1 GLN A 67 0.870 9.066 7.954 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.688 9.988 6.619 1.00 0.00 N ATOM 0 H GLN A 67 2.596 10.537 4.352 1.00 0.00 H new ATOM 0 HA GLN A 67 3.080 10.312 6.878 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.894 8.127 4.719 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.689 7.768 6.422 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.992 9.743 4.847 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.535 8.084 5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.971 10.206 5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.288 10.252 7.401 1.00 0.00 H new ATOM 929 N ILE A 68 5.466 8.419 5.639 1.00 0.00 N ATOM 930 CA ILE A 68 6.737 7.795 5.969 1.00 0.00 C ATOM 931 C ILE A 68 7.865 8.750 5.573 1.00 0.00 C ATOM 932 O ILE A 68 8.859 8.867 6.283 1.00 0.00 O ATOM 933 CB ILE A 68 6.799 6.425 5.284 1.00 0.00 C ATOM 934 CG1 ILE A 68 5.795 5.459 5.943 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.209 5.845 5.239 1.00 0.00 C ATOM 936 CD1 ILE A 68 6.264 4.640 7.148 1.00 0.00 C ATOM 0 H ILE A 68 5.098 8.151 4.726 1.00 0.00 H new ATOM 0 HA ILE A 68 6.848 7.612 7.038 1.00 0.00 H new ATOM 0 HB ILE A 68 6.512 6.565 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.927 6.041 6.253 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.454 4.761 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.188 4.875 4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.863 6.521 4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.585 5.724 6.255 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.447 4.009 7.499 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.107 4.013 6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.572 5.313 7.948 1.00 0.00 H new ATOM 947 N ILE A 69 7.702 9.458 4.450 1.00 0.00 N ATOM 948 CA ILE A 69 8.619 10.519 4.060 1.00 0.00 C ATOM 949 C ILE A 69 8.470 11.666 5.064 1.00 0.00 C ATOM 950 O ILE A 69 9.454 12.304 5.437 1.00 0.00 O ATOM 951 CB ILE A 69 8.336 10.965 2.611 1.00 0.00 C ATOM 952 CG1 ILE A 69 8.451 9.761 1.655 1.00 0.00 C ATOM 953 CG2 ILE A 69 9.303 12.083 2.188 1.00 0.00 C ATOM 954 CD1 ILE A 69 8.180 10.124 0.193 1.00 0.00 C ATOM 0 H ILE A 69 6.935 9.309 3.795 1.00 0.00 H new ATOM 0 HA ILE A 69 9.651 10.169 4.078 1.00 0.00 H new ATOM 0 HB ILE A 69 7.320 11.358 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 69 9.451 9.334 1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.748 8.989 1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.086 12.383 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.181 12.940 2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.329 11.720 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.277 9.233 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.170 10.524 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.899 10.874 -0.135 1.00 0.00 H new