USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=22 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+ 156:sc= -0.351 (180deg=-1.18) USER MOD Set 1.2: A 60 THR OG1 : rot 43:sc= 0.976 USER MOD Set 2.1: A 23 ASN : amide:sc= 1.65 K(o=3,f=0.77) USER MOD Set 2.2: A 34 SER OG : rot 56:sc= 1.37 USER MOD Set 3.1: A 19 ASN : amide:sc= 0.842 K(o=1.7,f=-5.8!) USER MOD Set 3.2: A 20 ASN : amide:sc= 0.893 K(o=1.7,f=0.026) USER MOD Set 4.1: A 14 SER OG : rot -133:sc= 0.954 USER MOD Set 4.2: A 21 TYR OH : rot 30:sc= 0.836 USER MOD Single : A 2 LYS NZ :NH3+ -141:sc= 1.22 (180deg=0.487) USER MOD Single : A 3 ASN : amide:sc= 1.4! C(o=1.4!,f=-8.2!) USER MOD Single : A 5 TYR OH : rot -50:sc= 1.45 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 120:sc= 0.00317 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.012) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -136:sc= 1.24 (180deg=0.581) USER MOD Single : A 30 TYR OH : rot 134:sc= 1.29 USER MOD Single : A 31 TYR OH : rot 32:sc= 1.13 USER MOD Single : A 33 THR OG1 : rot -26:sc= 0.141 USER MOD Single : A 36 TYR OH : rot -34:sc= -0.0237 USER MOD Single : A 41 SER OG : rot 180:sc= 0.231 USER MOD Single : A 43 TYR OH : rot 162:sc= 1.01 USER MOD Single : A 51 LYS NZ :NH3+ 155:sc= 3.04 (180deg=0.643) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.18) USER MOD Single : A 61 LYS NZ :NH3+ 156:sc= 2.32 (180deg=2.08) 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= 1.15 K(o=1.1,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 2 5.742 2.098 -8.496 1.00 0.00 N ATOM 20 CA LYS A 2 5.956 3.196 -7.585 1.00 0.00 C ATOM 21 C LYS A 2 5.005 2.960 -6.418 1.00 0.00 C ATOM 22 O LYS A 2 3.977 2.317 -6.621 1.00 0.00 O ATOM 23 CB LYS A 2 5.574 4.475 -8.331 1.00 0.00 C ATOM 24 CG LYS A 2 4.168 4.397 -8.966 1.00 0.00 C ATOM 25 CD LYS A 2 2.970 4.929 -8.164 1.00 0.00 C ATOM 26 CE LYS A 2 3.080 6.386 -7.683 1.00 0.00 C ATOM 27 NZ LYS A 2 3.618 6.484 -6.310 1.00 0.00 N ATOM 0 HA LYS A 2 6.983 3.276 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.610 5.318 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.310 4.670 -9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.201 4.939 -9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.970 3.352 -9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.075 4.836 -8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.826 4.289 -7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.723 6.943 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.096 6.854 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.117 7.235 -5.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.484 5.577 -5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.632 6.710 -6.350 1.00 0.00 H new ATOM 37 N ASN A 3 5.316 3.496 -5.233 1.00 0.00 N ATOM 38 CA ASN A 3 4.495 3.411 -4.022 1.00 0.00 C ATOM 39 C ASN A 3 3.002 3.465 -4.377 1.00 0.00 C ATOM 40 O ASN A 3 2.551 4.458 -4.955 1.00 0.00 O ATOM 41 CB ASN A 3 4.760 4.609 -3.096 1.00 0.00 C ATOM 42 CG ASN A 3 6.201 5.049 -2.903 1.00 0.00 C ATOM 43 OD1 ASN A 3 7.124 4.525 -3.518 1.00 0.00 O ATOM 44 ND2 ASN A 3 6.408 6.029 -2.041 1.00 0.00 N ATOM 0 H ASN A 3 6.179 4.020 -5.086 1.00 0.00 H new ATOM 0 HA ASN A 3 4.753 2.472 -3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.198 5.460 -3.481 1.00 0.00 H new ATOM 0 HB3 ASN A 3 4.348 4.372 -2.115 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.355 6.369 -1.873 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.621 6.446 -1.544 1.00 0.00 H new ATOM 50 N GLY A 4 2.255 2.407 -4.086 1.00 0.00 N ATOM 51 CA GLY A 4 0.905 2.180 -4.590 1.00 0.00 C ATOM 52 C GLY A 4 0.073 1.603 -3.461 1.00 0.00 C ATOM 53 O GLY A 4 0.493 1.699 -2.305 1.00 0.00 O ATOM 0 H GLY A 4 2.582 1.660 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.469 3.114 -4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.925 1.495 -5.437 1.00 0.00 H new ATOM 57 N TYR A 5 -1.042 0.931 -3.783 1.00 0.00 N ATOM 58 CA TYR A 5 -1.549 -0.080 -2.865 1.00 0.00 C ATOM 59 C TYR A 5 -1.462 -1.457 -3.474 1.00 0.00 C ATOM 60 O TYR A 5 -1.482 -1.615 -4.692 1.00 0.00 O ATOM 61 CB TYR A 5 -3.020 0.099 -2.402 1.00 0.00 C ATOM 62 CG TYR A 5 -3.625 1.470 -2.172 1.00 0.00 C ATOM 63 CD1 TYR A 5 -2.868 2.494 -1.593 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.018 1.637 -2.289 1.00 0.00 C ATOM 65 CE1 TYR A 5 -3.490 3.667 -1.130 1.00 0.00 C ATOM 66 CE2 TYR A 5 -5.642 2.806 -1.831 1.00 0.00 C ATOM 67 CZ TYR A 5 -4.876 3.829 -1.258 1.00 0.00 C ATOM 68 OH TYR A 5 -5.484 4.992 -0.895 1.00 0.00 O ATOM 0 H TYR A 5 -1.585 1.065 -4.636 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.907 0.043 -1.993 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.646 -0.402 -3.141 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.126 -0.453 -1.468 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.798 2.383 -1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.613 0.855 -2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.897 4.446 -0.674 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -6.713 2.918 -1.920 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.200 5.242 0.009 1.00 0.00 H new ATOM 77 N ALA A 6 -1.424 -2.434 -2.575 1.00 0.00 N ATOM 78 CA ALA A 6 -1.419 -3.842 -2.901 1.00 0.00 C ATOM 79 C ALA A 6 -2.845 -4.364 -3.073 1.00 0.00 C ATOM 80 O ALA A 6 -3.712 -4.057 -2.256 1.00 0.00 O ATOM 81 CB ALA A 6 -0.765 -4.564 -1.723 1.00 0.00 C ATOM 0 H ALA A 6 -1.395 -2.255 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.882 -4.011 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.738 -5.635 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.251 -4.194 -1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.342 -4.378 -0.817 1.00 0.00 H new ATOM 87 N VAL A 7 -3.052 -5.222 -4.074 1.00 0.00 N ATOM 88 CA VAL A 7 -4.063 -6.266 -4.025 1.00 0.00 C ATOM 89 C VAL A 7 -3.447 -7.539 -4.586 1.00 0.00 C ATOM 90 O VAL A 7 -2.633 -7.477 -5.506 1.00 0.00 O ATOM 91 CB VAL A 7 -5.347 -5.917 -4.786 1.00 0.00 C ATOM 92 CG1 VAL A 7 -6.174 -4.873 -4.026 1.00 0.00 C ATOM 93 CG2 VAL A 7 -5.136 -5.519 -6.245 1.00 0.00 C ATOM 0 H VAL A 7 -2.518 -5.207 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.366 -6.392 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.915 -6.846 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.079 -4.645 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.446 -5.267 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.586 -3.964 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.098 -5.290 -6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.493 -4.640 -6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.666 -6.342 -6.782 1.00 0.00 H new ATOM 103 N ASP A 8 -3.826 -8.673 -3.999 1.00 0.00 N ATOM 104 CA ASP A 8 -3.233 -9.965 -4.295 1.00 0.00 C ATOM 105 C ASP A 8 -3.904 -10.615 -5.490 1.00 0.00 C ATOM 106 O ASP A 8 -4.705 -9.998 -6.191 1.00 0.00 O ATOM 107 CB ASP A 8 -3.417 -10.874 -3.072 1.00 0.00 C ATOM 108 CG ASP A 8 -2.172 -11.707 -2.854 1.00 0.00 C ATOM 109 OD1 ASP A 8 -2.110 -12.756 -3.529 1.00 0.00 O ATOM 110 OD2 ASP A 8 -1.304 -11.234 -2.088 1.00 0.00 O ATOM 0 H ASP A 8 -4.564 -8.715 -3.296 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.177 -9.823 -4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.620 -10.271 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.279 -11.525 -3.219 1.00 0.00 H new ATOM 114 N SER A 9 -3.762 -11.936 -5.552 1.00 0.00 N ATOM 115 CA SER A 9 -4.702 -12.809 -6.229 1.00 0.00 C ATOM 116 C SER A 9 -5.995 -12.909 -5.394 1.00 0.00 C ATOM 117 O SER A 9 -6.481 -13.999 -5.103 1.00 0.00 O ATOM 118 CB SER A 9 -4.032 -14.171 -6.462 1.00 0.00 C ATOM 119 OG SER A 9 -4.700 -14.887 -7.484 1.00 0.00 O ATOM 0 H SER A 9 -2.979 -12.432 -5.126 1.00 0.00 H new ATOM 0 HA SER A 9 -4.982 -12.411 -7.204 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.987 -14.026 -6.736 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.042 -14.750 -5.539 1.00 0.00 H new ATOM 0 HG SER A 9 -4.259 -15.751 -7.620 1.00 0.00 H new ATOM 124 N SER A 10 -6.539 -11.764 -4.958 1.00 0.00 N ATOM 125 CA SER A 10 -7.762 -11.682 -4.172 1.00 0.00 C ATOM 126 C SER A 10 -8.268 -10.238 -4.155 1.00 0.00 C ATOM 127 O SER A 10 -9.431 -9.979 -4.450 1.00 0.00 O ATOM 128 CB SER A 10 -7.501 -12.200 -2.748 1.00 0.00 C ATOM 129 OG SER A 10 -8.599 -11.925 -1.899 1.00 0.00 O ATOM 0 H SER A 10 -6.125 -10.852 -5.151 1.00 0.00 H new ATOM 0 HA SER A 10 -8.533 -12.307 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.318 -13.274 -2.776 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.601 -11.734 -2.347 1.00 0.00 H new ATOM 0 HG SER A 10 -8.960 -12.766 -1.548 1.00 0.00 H new ATOM 134 N GLY A 11 -7.402 -9.302 -3.759 1.00 0.00 N ATOM 135 CA GLY A 11 -7.771 -7.918 -3.521 1.00 0.00 C ATOM 136 C GLY A 11 -8.861 -7.753 -2.465 1.00 0.00 C ATOM 137 O GLY A 11 -9.597 -6.768 -2.473 1.00 0.00 O ATOM 0 H GLY A 11 -6.414 -9.494 -3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.886 -7.363 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.112 -7.475 -4.457 1.00 0.00 H new ATOM 141 N LYS A 12 -8.882 -8.654 -1.477 1.00 0.00 N ATOM 142 CA LYS A 12 -9.515 -8.376 -0.196 1.00 0.00 C ATOM 143 C LYS A 12 -8.716 -7.265 0.502 1.00 0.00 C ATOM 144 O LYS A 12 -7.831 -7.543 1.309 1.00 0.00 O ATOM 145 CB LYS A 12 -9.672 -9.669 0.628 1.00 0.00 C ATOM 146 CG LYS A 12 -8.369 -10.412 0.979 1.00 0.00 C ATOM 147 CD LYS A 12 -8.634 -11.848 1.451 1.00 0.00 C ATOM 148 CE LYS A 12 -9.472 -11.883 2.738 1.00 0.00 C ATOM 149 NZ LYS A 12 -9.620 -13.255 3.265 1.00 0.00 N ATOM 0 H LYS A 12 -8.465 -9.582 -1.546 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.533 -8.010 -0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.188 -9.424 1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.318 -10.351 0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.717 -10.432 0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.840 -9.866 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.152 -12.398 0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.684 -12.355 1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.002 -11.253 3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.458 -11.462 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.192 -13.234 4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.091 -13.851 2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.681 -13.648 3.479 1.00 0.00 H new ATOM 159 N VAL A 13 -8.979 -6.010 0.123 1.00 0.00 N ATOM 160 CA VAL A 13 -8.187 -4.856 0.533 1.00 0.00 C ATOM 161 C VAL A 13 -7.899 -4.861 2.040 1.00 0.00 C ATOM 162 O VAL A 13 -8.801 -4.872 2.876 1.00 0.00 O ATOM 163 CB VAL A 13 -8.814 -3.529 0.065 1.00 0.00 C ATOM 164 CG1 VAL A 13 -8.941 -3.466 -1.461 1.00 0.00 C ATOM 165 CG2 VAL A 13 -10.173 -3.248 0.711 1.00 0.00 C ATOM 0 H VAL A 13 -9.761 -5.769 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.223 -4.941 0.031 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.125 -2.751 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.388 -2.515 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.953 -3.555 -1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.573 -4.284 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.563 -2.300 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.868 -4.049 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.057 -3.195 1.794 1.00 0.00 H new ATOM 175 N SER A 14 -6.614 -4.848 2.389 1.00 0.00 N ATOM 176 CA SER A 14 -6.177 -4.759 3.771 1.00 0.00 C ATOM 177 C SER A 14 -6.304 -3.310 4.229 1.00 0.00 C ATOM 178 O SER A 14 -5.302 -2.611 4.339 1.00 0.00 O ATOM 179 CB SER A 14 -4.745 -5.284 3.909 1.00 0.00 C ATOM 180 OG SER A 14 -4.740 -6.699 3.877 1.00 0.00 O ATOM 0 H SER A 14 -5.849 -4.899 1.716 1.00 0.00 H new ATOM 0 HA SER A 14 -6.804 -5.381 4.410 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.126 -4.892 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.309 -4.932 4.844 1.00 0.00 H new ATOM 0 HG SER A 14 -4.187 -7.041 4.611 1.00 0.00 H new ATOM 185 N GLU A 15 -7.540 -2.884 4.493 1.00 0.00 N ATOM 186 CA GLU A 15 -7.862 -1.628 5.146 1.00 0.00 C ATOM 187 C GLU A 15 -6.990 -1.466 6.393 1.00 0.00 C ATOM 188 O GLU A 15 -6.153 -0.572 6.454 1.00 0.00 O ATOM 189 CB GLU A 15 -9.361 -1.659 5.468 1.00 0.00 C ATOM 190 CG GLU A 15 -9.853 -0.324 6.012 1.00 0.00 C ATOM 191 CD GLU A 15 -11.361 -0.356 6.219 1.00 0.00 C ATOM 192 OE1 GLU A 15 -11.781 -1.097 7.134 1.00 0.00 O ATOM 193 OE2 GLU A 15 -12.056 0.327 5.441 1.00 0.00 O ATOM 0 H GLU A 15 -8.368 -3.427 4.247 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.657 -0.767 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.921 -1.912 4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.559 -2.444 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.355 -0.104 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.592 0.476 5.319 1.00 0.00 H new ATOM 198 N CYS A 16 -7.175 -2.400 7.332 1.00 0.00 N ATOM 199 CA CYS A 16 -6.367 -2.641 8.526 1.00 0.00 C ATOM 200 C CYS A 16 -6.213 -1.447 9.472 1.00 0.00 C ATOM 201 O CYS A 16 -6.759 -0.370 9.255 1.00 0.00 O ATOM 202 CB CYS A 16 -5.026 -3.320 8.180 1.00 0.00 C ATOM 203 SG CYS A 16 -3.720 -2.388 7.325 1.00 0.00 S ATOM 0 H CYS A 16 -7.954 -3.056 7.270 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.950 -3.346 9.118 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.601 -3.689 9.113 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.254 -4.192 7.567 1.00 0.00 H new ATOM 207 N LEU A 17 -5.501 -1.680 10.580 1.00 0.00 N ATOM 208 CA LEU A 17 -5.111 -0.681 11.556 1.00 0.00 C ATOM 209 C LEU A 17 -3.616 -0.821 11.884 1.00 0.00 C ATOM 210 O LEU A 17 -2.877 0.163 11.851 1.00 0.00 O ATOM 211 CB LEU A 17 -5.979 -0.779 12.822 1.00 0.00 C ATOM 212 CG LEU A 17 -6.580 -2.161 13.149 1.00 0.00 C ATOM 213 CD1 LEU A 17 -6.683 -2.334 14.669 1.00 0.00 C ATOM 214 CD2 LEU A 17 -7.982 -2.325 12.546 1.00 0.00 C ATOM 0 H LEU A 17 -5.171 -2.614 10.823 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.275 0.309 11.130 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.376 -0.461 13.673 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.798 -0.066 12.728 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.921 -2.915 12.718 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.108 -3.312 14.896 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.690 -2.258 15.112 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.324 -1.555 15.081 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.373 -3.311 12.797 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.644 -1.558 12.949 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.926 -2.222 11.462 1.00 0.00 H new ATOM 225 N LEU A 18 -3.142 -2.031 12.208 1.00 0.00 N ATOM 226 CA LEU A 18 -1.786 -2.235 12.698 1.00 0.00 C ATOM 227 C LEU A 18 -0.761 -2.223 11.555 1.00 0.00 C ATOM 228 O LEU A 18 -0.226 -3.261 11.169 1.00 0.00 O ATOM 229 CB LEU A 18 -1.730 -3.499 13.567 1.00 0.00 C ATOM 230 CG LEU A 18 -2.338 -4.733 12.880 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.361 -5.897 12.972 1.00 0.00 C ATOM 232 CD2 LEU A 18 -3.657 -5.149 13.544 1.00 0.00 C ATOM 0 H LEU A 18 -3.690 -2.888 12.136 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.504 -1.397 13.336 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.692 -3.709 13.825 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.259 -3.314 14.502 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.534 -4.475 11.839 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.791 -6.772 12.485 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.428 -5.629 12.477 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.164 -6.125 14.020 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.061 -6.024 13.035 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.477 -5.390 14.592 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.372 -4.329 13.478 1.00 0.00 H new ATOM 243 N ASN A 19 -0.481 -1.019 11.051 1.00 0.00 N ATOM 244 CA ASN A 19 0.520 -0.654 10.042 1.00 0.00 C ATOM 245 C ASN A 19 1.649 -1.669 9.805 1.00 0.00 C ATOM 246 O ASN A 19 1.928 -2.024 8.663 1.00 0.00 O ATOM 247 CB ASN A 19 1.093 0.740 10.353 1.00 0.00 C ATOM 248 CG ASN A 19 1.848 0.865 11.676 1.00 0.00 C ATOM 249 OD1 ASN A 19 1.899 -0.051 12.495 1.00 0.00 O ATOM 250 ND2 ASN A 19 2.444 2.029 11.903 1.00 0.00 N ATOM 0 H ASN A 19 -0.996 -0.198 11.367 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.025 -0.650 9.098 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.765 1.025 9.544 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.273 1.458 10.354 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.958 2.178 12.771 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.388 2.774 11.209 1.00 0.00 H new ATOM 256 N ASN A 20 2.312 -2.128 10.866 1.00 0.00 N ATOM 257 CA ASN A 20 3.418 -3.078 10.811 1.00 0.00 C ATOM 258 C ASN A 20 3.078 -4.282 9.927 1.00 0.00 C ATOM 259 O ASN A 20 3.878 -4.648 9.063 1.00 0.00 O ATOM 260 CB ASN A 20 3.794 -3.526 12.231 1.00 0.00 C ATOM 261 CG ASN A 20 4.754 -2.557 12.916 1.00 0.00 C ATOM 262 OD1 ASN A 20 5.912 -2.890 13.139 1.00 0.00 O ATOM 263 ND2 ASN A 20 4.307 -1.350 13.260 1.00 0.00 N ATOM 0 H ASN A 20 2.085 -1.838 11.817 1.00 0.00 H new ATOM 0 HA ASN A 20 4.277 -2.580 10.361 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.888 -3.620 12.830 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.251 -4.515 12.187 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.932 -0.686 13.717 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.340 -1.090 13.066 1.00 0.00 H new ATOM 269 N TYR A 21 1.889 -4.868 10.131 1.00 0.00 N ATOM 270 CA TYR A 21 1.373 -5.970 9.321 1.00 0.00 C ATOM 271 C TYR A 21 1.356 -5.565 7.851 1.00 0.00 C ATOM 272 O TYR A 21 1.847 -6.299 6.995 1.00 0.00 O ATOM 273 CB TYR A 21 -0.036 -6.362 9.802 1.00 0.00 C ATOM 274 CG TYR A 21 -0.974 -6.924 8.743 1.00 0.00 C ATOM 275 CD1 TYR A 21 -0.885 -8.269 8.344 1.00 0.00 C ATOM 276 CD2 TYR A 21 -1.921 -6.077 8.133 1.00 0.00 C ATOM 277 CE1 TYR A 21 -1.734 -8.760 7.333 1.00 0.00 C ATOM 278 CE2 TYR A 21 -2.740 -6.560 7.101 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.635 -7.896 6.684 1.00 0.00 C ATOM 280 OH TYR A 21 -3.383 -8.360 5.642 1.00 0.00 O ATOM 0 H TYR A 21 1.253 -4.582 10.875 1.00 0.00 H new ATOM 0 HA TYR A 21 2.023 -6.838 9.432 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.066 -7.101 10.597 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.505 -5.482 10.243 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.166 -8.925 8.812 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.017 -5.052 8.461 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.693 -9.803 7.055 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.453 -5.902 6.626 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.555 -9.317 5.763 1.00 0.00 H new ATOM 289 N CYS A 22 0.775 -4.399 7.565 1.00 0.00 N ATOM 290 CA CYS A 22 0.638 -3.919 6.203 1.00 0.00 C ATOM 291 C CYS A 22 2.002 -3.857 5.540 1.00 0.00 C ATOM 292 O CYS A 22 2.216 -4.433 4.480 1.00 0.00 O ATOM 293 CB CYS A 22 0.056 -2.508 6.177 1.00 0.00 C ATOM 294 SG CYS A 22 -0.260 -2.001 4.491 1.00 0.00 S ATOM 0 H CYS A 22 0.391 -3.770 8.270 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.025 -4.606 5.677 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.869 -2.478 6.753 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.749 -1.812 6.650 1.00 0.00 H new ATOM 298 N ASN A 23 2.930 -3.167 6.203 1.00 0.00 N ATOM 299 CA ASN A 23 4.311 -3.032 5.788 1.00 0.00 C ATOM 300 C ASN A 23 4.915 -4.413 5.520 1.00 0.00 C ATOM 301 O ASN A 23 5.517 -4.625 4.470 1.00 0.00 O ATOM 302 CB ASN A 23 5.044 -2.204 6.859 1.00 0.00 C ATOM 303 CG ASN A 23 6.416 -2.731 7.237 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.427 -2.258 6.727 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.455 -3.679 8.169 1.00 0.00 N ATOM 0 H ASN A 23 2.726 -2.673 7.072 1.00 0.00 H new ATOM 0 HA ASN A 23 4.408 -2.497 4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.149 -1.181 6.499 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.425 -2.165 7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.352 -4.043 8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.587 -4.042 8.564 1.00 0.00 H new ATOM 311 N ASN A 24 4.725 -5.374 6.429 1.00 0.00 N ATOM 312 CA ASN A 24 5.247 -6.704 6.265 1.00 0.00 C ATOM 313 C ASN A 24 4.766 -7.346 4.969 1.00 0.00 C ATOM 314 O ASN A 24 5.577 -7.742 4.142 1.00 0.00 O ATOM 315 CB ASN A 24 4.847 -7.530 7.488 1.00 0.00 C ATOM 316 CG ASN A 24 5.841 -8.650 7.671 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.535 -9.826 7.510 1.00 0.00 O ATOM 318 ND2 ASN A 24 7.059 -8.252 8.011 1.00 0.00 N ATOM 0 H ASN A 24 4.203 -5.236 7.294 1.00 0.00 H new ATOM 0 HA ASN A 24 6.334 -6.662 6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.823 -6.899 8.377 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.844 -7.935 7.357 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.799 -8.939 8.152 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.256 -7.258 8.131 1.00 0.00 H new ATOM 324 N ILE A 25 3.448 -7.426 4.771 1.00 0.00 N ATOM 325 CA ILE A 25 2.837 -7.994 3.577 1.00 0.00 C ATOM 326 C ILE A 25 3.406 -7.318 2.330 1.00 0.00 C ATOM 327 O ILE A 25 3.858 -7.977 1.392 1.00 0.00 O ATOM 328 CB ILE A 25 1.317 -7.780 3.696 1.00 0.00 C ATOM 329 CG1 ILE A 25 0.739 -8.584 4.868 1.00 0.00 C ATOM 330 CG2 ILE A 25 0.573 -8.079 2.393 1.00 0.00 C ATOM 331 CD1 ILE A 25 0.574 -10.084 4.595 1.00 0.00 C ATOM 0 H ILE A 25 2.767 -7.090 5.452 1.00 0.00 H new ATOM 0 HA ILE A 25 3.051 -9.059 3.488 1.00 0.00 H new ATOM 0 HB ILE A 25 1.164 -6.720 3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.388 -8.455 5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.233 -8.167 5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.494 -7.911 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.941 -7.422 1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.742 -9.117 2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.160 -10.571 5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.100 -10.228 3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.545 -10.520 4.362 1.00 0.00 H new ATOM 342 N CYS A 26 3.377 -5.989 2.354 1.00 0.00 N ATOM 343 CA CYS A 26 3.904 -5.092 1.337 1.00 0.00 C ATOM 344 C CYS A 26 5.310 -5.529 0.906 1.00 0.00 C ATOM 345 O CYS A 26 5.558 -5.707 -0.289 1.00 0.00 O ATOM 346 CB CYS A 26 3.801 -3.640 1.839 1.00 0.00 C ATOM 347 SG CYS A 26 2.213 -2.841 1.554 1.00 0.00 S ATOM 0 H CYS A 26 2.959 -5.481 3.133 1.00 0.00 H new ATOM 0 HA CYS A 26 3.307 -5.143 0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.009 -3.627 2.909 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.579 -3.049 1.355 1.00 0.00 H new ATOM 351 N THR A 27 6.241 -5.758 1.836 1.00 0.00 N ATOM 352 CA THR A 27 7.558 -6.227 1.409 1.00 0.00 C ATOM 353 C THR A 27 7.565 -7.715 1.033 1.00 0.00 C ATOM 354 O THR A 27 8.354 -8.132 0.190 1.00 0.00 O ATOM 355 CB THR A 27 8.681 -5.858 2.389 1.00 0.00 C ATOM 356 OG1 THR A 27 8.833 -6.811 3.423 1.00 0.00 O ATOM 357 CG2 THR A 27 8.506 -4.487 3.049 1.00 0.00 C ATOM 0 H THR A 27 6.118 -5.634 2.841 1.00 0.00 H new ATOM 0 HA THR A 27 7.779 -5.681 0.492 1.00 0.00 H new ATOM 0 HB THR A 27 9.570 -5.835 1.758 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.560 -6.534 4.019 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.339 -4.300 3.727 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.483 -3.714 2.281 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.571 -4.470 3.610 1.00 0.00 H new ATOM 365 N LYS A 28 6.732 -8.542 1.671 1.00 0.00 N ATOM 366 CA LYS A 28 6.808 -9.989 1.578 1.00 0.00 C ATOM 367 C LYS A 28 6.369 -10.466 0.191 1.00 0.00 C ATOM 368 O LYS A 28 6.996 -11.367 -0.380 1.00 0.00 O ATOM 369 CB LYS A 28 5.966 -10.603 2.715 1.00 0.00 C ATOM 370 CG LYS A 28 6.315 -12.063 3.038 1.00 0.00 C ATOM 371 CD LYS A 28 5.630 -13.041 2.074 1.00 0.00 C ATOM 372 CE LYS A 28 6.542 -14.174 1.583 1.00 0.00 C ATOM 373 NZ LYS A 28 7.689 -13.669 0.796 1.00 0.00 N ATOM 0 H LYS A 28 5.978 -8.213 2.273 1.00 0.00 H new ATOM 0 HA LYS A 28 7.838 -10.323 1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.098 -10.002 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.912 -10.544 2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.395 -12.198 2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.014 -12.291 4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.762 -13.476 2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.260 -12.486 1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.912 -14.737 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.962 -14.866 0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.818 -14.261 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.506 -12.687 0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.551 -13.703 1.377 1.00 0.00 H new ATOM 383 N VAL A 29 5.251 -9.937 -0.309 1.00 0.00 N ATOM 384 CA VAL A 29 4.595 -10.360 -1.516 1.00 0.00 C ATOM 385 C VAL A 29 4.857 -9.335 -2.619 1.00 0.00 C ATOM 386 O VAL A 29 5.260 -9.687 -3.729 1.00 0.00 O ATOM 387 CB VAL A 29 3.102 -10.482 -1.169 1.00 0.00 C ATOM 388 CG1 VAL A 29 2.273 -10.556 -2.438 1.00 0.00 C ATOM 389 CG2 VAL A 29 2.814 -11.697 -0.282 1.00 0.00 C ATOM 0 H VAL A 29 4.767 -9.166 0.150 1.00 0.00 H new ATOM 0 HA VAL A 29 4.965 -11.316 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 29 2.826 -9.591 -0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.218 -10.642 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.429 -9.653 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.576 -11.426 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.747 -11.743 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.117 -12.606 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.373 -11.608 0.650 1.00 0.00 H new ATOM 399 N TYR A 30 4.564 -8.065 -2.339 1.00 0.00 N ATOM 400 CA TYR A 30 4.505 -7.035 -3.341 1.00 0.00 C ATOM 401 C TYR A 30 5.908 -6.625 -3.754 1.00 0.00 C ATOM 402 O TYR A 30 6.169 -6.548 -4.951 1.00 0.00 O ATOM 403 CB TYR A 30 3.626 -5.890 -2.838 1.00 0.00 C ATOM 404 CG TYR A 30 2.204 -6.333 -2.587 1.00 0.00 C ATOM 405 CD1 TYR A 30 1.302 -6.359 -3.659 1.00 0.00 C ATOM 406 CD2 TYR A 30 1.877 -6.997 -1.393 1.00 0.00 C ATOM 407 CE1 TYR A 30 0.169 -7.182 -3.600 1.00 0.00 C ATOM 408 CE2 TYR A 30 0.729 -7.800 -1.324 1.00 0.00 C ATOM 409 CZ TYR A 30 -0.098 -7.942 -2.449 1.00 0.00 C ATOM 410 OH TYR A 30 -1.271 -8.620 -2.347 1.00 0.00 O ATOM 0 H TYR A 30 4.361 -7.733 -1.396 1.00 0.00 H new ATOM 0 HA TYR A 30 4.034 -7.401 -4.253 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.048 -5.488 -1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.630 -5.082 -3.570 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.480 -5.745 -4.530 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.511 -6.889 -0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.503 -7.232 -4.444 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.481 -8.309 -0.404 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.097 -9.528 -2.023 1.00 0.00 H new ATOM 419 N TYR A 31 6.785 -6.432 -2.769 1.00 0.00 N ATOM 420 CA TYR A 31 8.129 -5.873 -2.903 1.00 0.00 C ATOM 421 C TYR A 31 8.089 -4.350 -2.917 1.00 0.00 C ATOM 422 O TYR A 31 8.948 -3.687 -3.490 1.00 0.00 O ATOM 423 CB TYR A 31 8.994 -6.524 -3.973 1.00 0.00 C ATOM 424 CG TYR A 31 9.015 -8.039 -3.903 1.00 0.00 C ATOM 425 CD1 TYR A 31 9.405 -8.656 -2.702 1.00 0.00 C ATOM 426 CD2 TYR A 31 8.450 -8.816 -4.931 1.00 0.00 C ATOM 427 CE1 TYR A 31 9.007 -9.972 -2.430 1.00 0.00 C ATOM 428 CE2 TYR A 31 8.112 -10.160 -4.682 1.00 0.00 C ATOM 429 CZ TYR A 31 8.295 -10.696 -3.396 1.00 0.00 C ATOM 430 OH TYR A 31 7.666 -11.848 -3.035 1.00 0.00 O ATOM 0 H TYR A 31 6.564 -6.675 -1.803 1.00 0.00 H new ATOM 0 HA TYR A 31 8.677 -6.148 -2.002 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.632 -6.220 -4.955 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.014 -6.151 -3.880 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.011 -8.116 -1.989 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.277 -8.384 -5.906 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.248 -10.426 -1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.714 -10.776 -5.475 1.00 0.00 H new ATOM 0 HH TYR A 31 7.369 -11.781 -2.104 1.00 0.00 H new ATOM 439 N ALA A 32 7.110 -3.810 -2.188 1.00 0.00 N ATOM 440 CA ALA A 32 7.253 -2.575 -1.452 1.00 0.00 C ATOM 441 C ALA A 32 8.515 -2.601 -0.571 1.00 0.00 C ATOM 442 O ALA A 32 9.000 -3.675 -0.218 1.00 0.00 O ATOM 443 CB ALA A 32 6.032 -2.500 -0.544 1.00 0.00 C ATOM 0 H ALA A 32 6.186 -4.233 -2.098 1.00 0.00 H new ATOM 0 HA ALA A 32 7.336 -1.727 -2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.073 -1.585 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.127 -2.499 -1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.021 -3.362 0.123 1.00 0.00 H new ATOM 449 N THR A 33 8.981 -1.433 -0.122 1.00 0.00 N ATOM 450 CA THR A 33 9.952 -1.309 0.958 1.00 0.00 C ATOM 451 C THR A 33 9.272 -1.144 2.323 1.00 0.00 C ATOM 452 O THR A 33 9.918 -1.401 3.336 1.00 0.00 O ATOM 453 CB THR A 33 10.959 -0.181 0.682 1.00 0.00 C ATOM 454 OG1 THR A 33 12.044 -0.295 1.580 1.00 0.00 O ATOM 455 CG2 THR A 33 10.362 1.223 0.826 1.00 0.00 C ATOM 0 H THR A 33 8.687 -0.535 -0.507 1.00 0.00 H new ATOM 0 HA THR A 33 10.513 -2.243 0.996 1.00 0.00 H new ATOM 0 HB THR A 33 11.275 -0.297 -0.355 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.747 -0.751 2.395 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.130 1.968 0.617 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.539 1.342 0.122 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.992 1.359 1.842 1.00 0.00 H new ATOM 463 N SER A 34 8.014 -0.685 2.373 1.00 0.00 N ATOM 464 CA SER A 34 7.211 -0.597 3.593 1.00 0.00 C ATOM 465 C SER A 34 5.760 -0.328 3.177 1.00 0.00 C ATOM 466 O SER A 34 5.419 -0.617 2.037 1.00 0.00 O ATOM 467 CB SER A 34 7.758 0.471 4.552 1.00 0.00 C ATOM 468 OG SER A 34 7.095 0.369 5.798 1.00 0.00 O ATOM 0 H SER A 34 7.518 -0.358 1.544 1.00 0.00 H new ATOM 0 HA SER A 34 7.259 -1.534 4.149 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.831 0.338 4.687 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.610 1.465 4.129 1.00 0.00 H new ATOM 0 HG SER A 34 7.193 -0.541 6.147 1.00 0.00 H new ATOM 473 N GLY A 35 4.917 0.241 4.046 1.00 0.00 N ATOM 474 CA GLY A 35 3.474 0.371 3.827 1.00 0.00 C ATOM 475 C GLY A 35 2.766 0.626 5.150 1.00 0.00 C ATOM 476 O GLY A 35 3.400 0.595 6.203 1.00 0.00 O ATOM 0 H GLY A 35 5.225 0.631 4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.275 1.190 3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.085 -0.537 3.366 1.00 0.00 H new ATOM 480 N TYR A 36 1.457 0.883 5.090 1.00 0.00 N ATOM 481 CA TYR A 36 0.608 1.104 6.250 1.00 0.00 C ATOM 482 C TYR A 36 -0.856 1.106 5.818 1.00 0.00 C ATOM 483 O TYR A 36 -1.174 1.097 4.629 1.00 0.00 O ATOM 484 CB TYR A 36 1.009 2.368 7.045 1.00 0.00 C ATOM 485 CG TYR A 36 1.096 3.682 6.293 1.00 0.00 C ATOM 486 CD1 TYR A 36 0.111 4.063 5.358 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.142 4.581 6.589 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.328 5.168 4.528 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.275 5.760 5.843 1.00 0.00 C ATOM 490 CZ TYR A 36 1.444 5.983 4.741 1.00 0.00 C ATOM 491 OH TYR A 36 1.816 6.890 3.809 1.00 0.00 O ATOM 0 H TYR A 36 0.950 0.943 4.207 1.00 0.00 H new ATOM 0 HA TYR A 36 0.751 0.280 6.950 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.292 2.494 7.856 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.980 2.180 7.504 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.809 3.503 5.283 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.837 4.362 7.386 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.362 5.390 3.728 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.017 6.494 6.119 1.00 0.00 H new ATOM 0 HH TYR A 36 1.623 6.538 2.915 1.00 0.00 H new ATOM 500 N CYS A 37 -1.729 1.142 6.816 1.00 0.00 N ATOM 501 CA CYS A 37 -3.173 1.071 6.685 1.00 0.00 C ATOM 502 C CYS A 37 -3.697 2.428 6.207 1.00 0.00 C ATOM 503 O CYS A 37 -3.970 3.312 7.017 1.00 0.00 O ATOM 504 CB CYS A 37 -3.721 0.658 8.056 1.00 0.00 C ATOM 505 SG CYS A 37 -3.058 -0.927 8.654 1.00 0.00 S ATOM 0 H CYS A 37 -1.431 1.226 7.788 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.497 0.339 5.946 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.488 1.437 8.782 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.807 0.590 7.999 1.00 0.00 H new ATOM 509 N CYS A 38 -3.774 2.617 4.887 1.00 0.00 N ATOM 510 CA CYS A 38 -4.274 3.830 4.247 1.00 0.00 C ATOM 511 C CYS A 38 -5.806 3.775 4.157 1.00 0.00 C ATOM 512 O CYS A 38 -6.401 2.709 4.290 1.00 0.00 O ATOM 513 CB CYS A 38 -3.634 3.969 2.859 1.00 0.00 C ATOM 514 SG CYS A 38 -4.154 5.385 1.863 1.00 0.00 S ATOM 0 H CYS A 38 -3.480 1.907 4.216 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.005 4.705 4.839 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.553 4.022 2.987 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.845 3.060 2.295 1.00 0.00 H new ATOM 518 N LEU A 39 -6.434 4.930 3.912 1.00 0.00 N ATOM 519 CA LEU A 39 -7.848 5.261 4.003 1.00 0.00 C ATOM 520 C LEU A 39 -8.856 4.208 3.523 1.00 0.00 C ATOM 521 O LEU A 39 -10.012 4.286 3.929 1.00 0.00 O ATOM 522 CB LEU A 39 -8.052 6.616 3.297 1.00 0.00 C ATOM 523 CG LEU A 39 -7.762 7.839 4.191 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.841 8.022 5.268 1.00 0.00 C ATOM 525 CD2 LEU A 39 -6.377 7.820 4.852 1.00 0.00 C ATOM 0 H LEU A 39 -5.896 5.743 3.612 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.081 5.305 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.406 6.658 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.080 6.676 2.939 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.776 8.688 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.602 8.893 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.810 8.168 4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.878 7.135 5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.253 8.714 5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.287 6.935 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.606 7.797 4.081 1.00 0.00 H new ATOM 536 N LEU A 40 -8.472 3.252 2.672 1.00 0.00 N ATOM 537 CA LEU A 40 -9.291 2.072 2.418 1.00 0.00 C ATOM 538 C LEU A 40 -8.490 0.863 1.913 1.00 0.00 C ATOM 539 O LEU A 40 -9.062 -0.018 1.275 1.00 0.00 O ATOM 540 CB LEU A 40 -10.470 2.427 1.494 1.00 0.00 C ATOM 541 CG LEU A 40 -10.149 3.213 0.229 1.00 0.00 C ATOM 542 CD1 LEU A 40 -9.163 2.507 -0.704 1.00 0.00 C ATOM 543 CD2 LEU A 40 -11.442 3.528 -0.532 1.00 0.00 C ATOM 0 H LEU A 40 -7.597 3.276 2.148 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.695 1.751 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.961 1.499 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.193 3.000 2.074 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.662 4.131 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.984 3.128 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.222 2.340 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.579 1.549 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.205 4.090 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.940 2.597 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.102 4.121 0.101 1.00 0.00 H new ATOM 554 N SER A 41 -7.175 0.794 2.160 1.00 0.00 N ATOM 555 CA SER A 41 -6.368 -0.352 1.748 1.00 0.00 C ATOM 556 C SER A 41 -4.952 -0.218 2.308 1.00 0.00 C ATOM 557 O SER A 41 -4.637 0.726 3.028 1.00 0.00 O ATOM 558 CB SER A 41 -6.307 -0.503 0.215 1.00 0.00 C ATOM 559 OG SER A 41 -5.745 -1.759 -0.139 1.00 0.00 O ATOM 0 H SER A 41 -6.651 1.522 2.645 1.00 0.00 H new ATOM 0 HA SER A 41 -6.846 -1.246 2.148 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.309 -0.415 -0.205 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.710 0.303 -0.212 1.00 0.00 H new ATOM 0 HG SER A 41 -5.715 -1.840 -1.115 1.00 0.00 H new ATOM 564 N CYS A 42 -4.080 -1.134 1.899 1.00 0.00 N ATOM 565 CA CYS A 42 -2.687 -1.202 2.295 1.00 0.00 C ATOM 566 C CYS A 42 -1.837 -0.409 1.331 1.00 0.00 C ATOM 567 O CYS A 42 -1.522 -0.871 0.229 1.00 0.00 O ATOM 568 CB CYS A 42 -2.229 -2.669 2.324 1.00 0.00 C ATOM 569 SG CYS A 42 -1.806 -3.272 3.957 1.00 0.00 S ATOM 0 H CYS A 42 -4.342 -1.880 1.254 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.575 -0.775 3.292 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.021 -3.294 1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.363 -2.781 1.672 1.00 0.00 H new ATOM 573 N TYR A 43 -1.418 0.764 1.799 1.00 0.00 N ATOM 574 CA TYR A 43 -0.316 1.455 1.191 1.00 0.00 C ATOM 575 C TYR A 43 0.889 0.581 1.220 1.00 0.00 C ATOM 576 O TYR A 43 1.111 -0.119 2.205 1.00 0.00 O ATOM 577 CB TYR A 43 0.100 2.678 1.998 1.00 0.00 C ATOM 578 CG TYR A 43 0.696 3.784 1.134 1.00 0.00 C ATOM 579 CD1 TYR A 43 0.117 4.074 -0.115 1.00 0.00 C ATOM 580 CD2 TYR A 43 2.003 4.242 1.387 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.887 4.619 -1.156 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.664 5.046 0.440 1.00 0.00 C ATOM 583 CZ TYR A 43 2.083 5.261 -0.826 1.00 0.00 C ATOM 584 OH TYR A 43 2.615 6.135 -1.722 1.00 0.00 O ATOM 0 H TYR A 43 -1.833 1.244 2.597 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.641 1.729 0.187 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.767 3.068 2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.829 2.379 2.751 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.932 3.875 -0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.499 3.976 2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.563 4.544 -2.184 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.615 5.497 0.683 1.00 0.00 H new ATOM 0 HH TYR A 43 3.259 6.718 -1.268 1.00 0.00 H new ATOM 593 N CYS A 44 1.704 0.750 0.198 1.00 0.00 N ATOM 594 CA CYS A 44 2.978 0.150 0.086 1.00 0.00 C ATOM 595 C CYS A 44 3.924 1.237 -0.427 1.00 0.00 C ATOM 596 O CYS A 44 3.716 1.742 -1.529 1.00 0.00 O ATOM 597 CB CYS A 44 2.799 -0.932 -0.936 1.00 0.00 C ATOM 598 SG CYS A 44 2.097 -2.560 -0.511 1.00 0.00 S ATOM 0 H CYS A 44 1.467 1.338 -0.601 1.00 0.00 H new ATOM 0 HA CYS A 44 3.377 -0.259 1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.173 -0.517 -1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.781 -1.118 -1.372 1.00 0.00 H new ATOM 602 N PHE A 45 4.943 1.599 0.354 1.00 0.00 N ATOM 603 CA PHE A 45 6.037 2.463 -0.078 1.00 0.00 C ATOM 604 C PHE A 45 6.986 1.684 -0.975 1.00 0.00 C ATOM 605 O PHE A 45 7.163 0.490 -0.770 1.00 0.00 O ATOM 606 CB PHE A 45 6.848 2.959 1.121 1.00 0.00 C ATOM 607 CG PHE A 45 6.180 4.078 1.875 1.00 0.00 C ATOM 608 CD1 PHE A 45 6.311 5.406 1.426 1.00 0.00 C ATOM 609 CD2 PHE A 45 5.357 3.784 2.971 1.00 0.00 C ATOM 610 CE1 PHE A 45 5.610 6.437 2.070 1.00 0.00 C ATOM 611 CE2 PHE A 45 4.659 4.814 3.613 1.00 0.00 C ATOM 612 CZ PHE A 45 4.782 6.141 3.163 1.00 0.00 C ATOM 0 H PHE A 45 5.030 1.293 1.323 1.00 0.00 H new ATOM 0 HA PHE A 45 5.599 3.308 -0.609 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.022 2.126 1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.825 3.297 0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.951 5.631 0.586 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.262 2.766 3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.708 7.456 1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.024 4.589 4.457 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.239 6.932 3.659 1.00 0.00 H new ATOM 621 N GLY A 46 7.661 2.372 -1.896 1.00 0.00 N ATOM 622 CA GLY A 46 8.713 1.824 -2.732 1.00 0.00 C ATOM 623 C GLY A 46 8.308 0.508 -3.378 1.00 0.00 C ATOM 624 O GLY A 46 9.070 -0.452 -3.320 1.00 0.00 O ATOM 0 H GLY A 46 7.479 3.358 -2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.969 2.544 -3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.609 1.671 -2.131 1.00 0.00 H new ATOM 628 N LEU A 47 7.121 0.463 -3.993 1.00 0.00 N ATOM 629 CA LEU A 47 6.831 -0.621 -4.919 1.00 0.00 C ATOM 630 C LEU A 47 7.819 -0.497 -6.070 1.00 0.00 C ATOM 631 O LEU A 47 8.196 0.616 -6.434 1.00 0.00 O ATOM 632 CB LEU A 47 5.412 -0.542 -5.484 1.00 0.00 C ATOM 633 CG LEU A 47 4.305 -0.484 -4.429 1.00 0.00 C ATOM 634 CD1 LEU A 47 2.954 -0.533 -5.075 1.00 0.00 C ATOM 635 CD2 LEU A 47 4.219 -1.724 -3.581 1.00 0.00 C ATOM 0 H LEU A 47 6.372 1.144 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 47 6.917 -1.570 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.337 0.341 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.241 -1.409 -6.123 1.00 0.00 H new ATOM 0 HG LEU A 47 4.543 0.419 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.182 -0.491 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.842 0.316 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.854 -1.460 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.413 -1.613 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.019 -2.586 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.163 -1.872 -3.056 1.00 0.00 H new ATOM 646 N ASP A 48 8.215 -1.636 -6.632 1.00 0.00 N ATOM 647 CA ASP A 48 9.160 -1.709 -7.736 1.00 0.00 C ATOM 648 C ASP A 48 8.635 -2.648 -8.809 1.00 0.00 C ATOM 649 O ASP A 48 8.523 -2.282 -9.980 1.00 0.00 O ATOM 650 CB ASP A 48 10.514 -2.190 -7.230 1.00 0.00 C ATOM 651 CG ASP A 48 11.623 -1.925 -8.247 1.00 0.00 C ATOM 652 OD1 ASP A 48 11.392 -1.095 -9.160 1.00 0.00 O ATOM 653 OD2 ASP A 48 12.683 -2.565 -8.104 1.00 0.00 O ATOM 0 H ASP A 48 7.880 -2.549 -6.325 1.00 0.00 H new ATOM 0 HA ASP A 48 9.279 -0.716 -8.169 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.752 -1.687 -6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.464 -3.258 -7.015 1.00 0.00 H new ATOM 657 N ASP A 49 8.260 -3.843 -8.363 1.00 0.00 N ATOM 658 CA ASP A 49 7.316 -4.689 -9.069 1.00 0.00 C ATOM 659 C ASP A 49 5.963 -3.959 -9.144 1.00 0.00 C ATOM 660 O ASP A 49 5.725 -2.982 -8.425 1.00 0.00 O ATOM 661 CB ASP A 49 7.237 -6.024 -8.314 1.00 0.00 C ATOM 662 CG ASP A 49 6.520 -7.149 -9.043 1.00 0.00 C ATOM 663 OD1 ASP A 49 5.979 -6.899 -10.139 1.00 0.00 O ATOM 664 OD2 ASP A 49 6.494 -8.252 -8.453 1.00 0.00 O ATOM 0 H ASP A 49 8.608 -4.250 -7.495 1.00 0.00 H new ATOM 0 HA ASP A 49 7.625 -4.896 -10.094 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.251 -6.352 -8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.734 -5.853 -7.362 1.00 0.00 H new ATOM 668 N ASP A 50 5.075 -4.441 -10.005 1.00 0.00 N ATOM 669 CA ASP A 50 3.687 -4.042 -10.108 1.00 0.00 C ATOM 670 C ASP A 50 2.913 -5.308 -10.443 1.00 0.00 C ATOM 671 O ASP A 50 2.893 -5.808 -11.566 1.00 0.00 O ATOM 672 CB ASP A 50 3.447 -3.017 -11.197 1.00 0.00 C ATOM 673 CG ASP A 50 2.021 -2.472 -11.207 1.00 0.00 C ATOM 674 OD1 ASP A 50 1.147 -3.094 -10.560 1.00 0.00 O ATOM 675 OD2 ASP A 50 1.813 -1.431 -11.865 1.00 0.00 O ATOM 0 H ASP A 50 5.323 -5.160 -10.685 1.00 0.00 H new ATOM 0 HA ASP A 50 3.373 -3.578 -9.173 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.144 -2.189 -11.068 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.663 -3.468 -12.165 1.00 0.00 H new ATOM 679 N LYS A 51 2.306 -5.834 -9.404 1.00 0.00 N ATOM 680 CA LYS A 51 1.454 -7.013 -9.505 1.00 0.00 C ATOM 681 C LYS A 51 0.177 -6.606 -10.243 1.00 0.00 C ATOM 682 O LYS A 51 -0.178 -7.185 -11.265 1.00 0.00 O ATOM 683 CB LYS A 51 1.159 -7.664 -8.138 1.00 0.00 C ATOM 684 CG LYS A 51 2.005 -7.157 -6.966 1.00 0.00 C ATOM 685 CD LYS A 51 3.515 -7.421 -7.096 1.00 0.00 C ATOM 686 CE LYS A 51 3.918 -8.794 -6.544 1.00 0.00 C ATOM 687 NZ LYS A 51 5.361 -8.834 -6.236 1.00 0.00 N ATOM 0 H LYS A 51 2.385 -5.460 -8.458 1.00 0.00 H new ATOM 0 HA LYS A 51 1.978 -7.787 -10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.108 -7.504 -7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.305 -8.740 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.846 -6.084 -6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.647 -7.625 -6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.804 -7.355 -8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.064 -6.643 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.344 -9.011 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.676 -9.569 -7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.541 -9.554 -5.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.893 -9.073 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.667 -7.904 -5.887 1.00 0.00 H new ATOM 697 N ALA A 52 -0.488 -5.588 -9.694 1.00 0.00 N ATOM 698 CA ALA A 52 -1.616 -4.869 -10.258 1.00 0.00 C ATOM 699 C ALA A 52 -1.982 -3.763 -9.269 1.00 0.00 C ATOM 700 O ALA A 52 -3.098 -3.727 -8.753 1.00 0.00 O ATOM 701 CB ALA A 52 -2.798 -5.819 -10.486 1.00 0.00 C ATOM 0 H ALA A 52 -0.228 -5.223 -8.777 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.361 -4.442 -11.228 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.635 -5.263 -10.909 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.502 -6.610 -11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.099 -6.260 -9.536 1.00 0.00 H new ATOM 707 N VAL A 53 -1.024 -2.883 -8.964 1.00 0.00 N ATOM 708 CA VAL A 53 -1.164 -1.944 -7.854 1.00 0.00 C ATOM 709 C VAL A 53 -2.372 -1.048 -8.076 1.00 0.00 C ATOM 710 O VAL A 53 -2.752 -0.758 -9.217 1.00 0.00 O ATOM 711 CB VAL A 53 0.091 -1.079 -7.629 1.00 0.00 C ATOM 712 CG1 VAL A 53 1.308 -1.973 -7.410 1.00 0.00 C ATOM 713 CG2 VAL A 53 0.374 -0.067 -8.747 1.00 0.00 C ATOM 0 H VAL A 53 -0.143 -2.803 -9.472 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.301 -2.545 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.113 -0.485 -6.738 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.191 -1.354 -7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.145 -2.602 -6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.459 -2.603 -8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.274 0.498 -8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.519 -0.596 -9.689 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.470 0.617 -8.841 1.00 0.00 H new ATOM 723 N LEU A 54 -2.978 -0.589 -6.985 1.00 0.00 N ATOM 724 CA LEU A 54 -4.111 0.299 -7.096 1.00 0.00 C ATOM 725 C LEU A 54 -3.679 1.668 -7.593 1.00 0.00 C ATOM 726 O LEU A 54 -2.511 2.048 -7.604 1.00 0.00 O ATOM 727 CB LEU A 54 -4.897 0.362 -5.791 1.00 0.00 C ATOM 728 CG LEU A 54 -5.966 -0.749 -5.757 1.00 0.00 C ATOM 729 CD1 LEU A 54 -5.402 -2.137 -6.067 1.00 0.00 C ATOM 730 CD2 LEU A 54 -6.711 -0.807 -4.423 1.00 0.00 C ATOM 0 H LEU A 54 -2.702 -0.818 -6.030 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.794 -0.105 -7.843 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.219 0.250 -4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.373 1.338 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.666 -0.475 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.205 -2.873 -6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.960 -2.136 -7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.639 -2.392 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.451 -1.606 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.002 -1.001 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.212 0.145 -4.244 1.00 0.00 H new ATOM 741 N LYS A 55 -4.699 2.354 -8.078 1.00 0.00 N ATOM 742 CA LYS A 55 -4.642 3.447 -9.027 1.00 0.00 C ATOM 743 C LYS A 55 -5.363 4.614 -8.365 1.00 0.00 C ATOM 744 O LYS A 55 -6.506 4.933 -8.677 1.00 0.00 O ATOM 745 CB LYS A 55 -5.266 2.968 -10.349 1.00 0.00 C ATOM 746 CG LYS A 55 -4.370 1.894 -10.996 1.00 0.00 C ATOM 747 CD LYS A 55 -5.140 0.994 -11.972 1.00 0.00 C ATOM 748 CE LYS A 55 -4.235 -0.087 -12.592 1.00 0.00 C ATOM 749 NZ LYS A 55 -3.780 -1.110 -11.621 1.00 0.00 N ATOM 0 H LYS A 55 -5.657 2.145 -7.797 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.634 3.776 -9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.260 2.561 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.387 3.811 -11.030 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.550 2.380 -11.525 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.924 1.279 -10.214 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.969 0.517 -11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.572 1.604 -12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.774 -0.580 -13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.363 0.393 -13.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.218 -1.832 -12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.196 -0.658 -10.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.606 -1.558 -11.176 1.00 0.00 H new ATOM 759 N ILE A 56 -4.707 5.153 -7.339 1.00 0.00 N ATOM 760 CA ILE A 56 -5.379 5.791 -6.225 1.00 0.00 C ATOM 761 C ILE A 56 -5.594 7.284 -6.470 1.00 0.00 C ATOM 762 O ILE A 56 -4.893 7.907 -7.274 1.00 0.00 O ATOM 763 CB ILE A 56 -4.603 5.481 -4.931 1.00 0.00 C ATOM 764 CG1 ILE A 56 -3.190 6.084 -4.934 1.00 0.00 C ATOM 765 CG2 ILE A 56 -4.525 3.959 -4.764 1.00 0.00 C ATOM 766 CD1 ILE A 56 -2.442 5.861 -3.612 1.00 0.00 C ATOM 0 H ILE A 56 -3.690 5.156 -7.263 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.384 5.383 -6.117 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.135 5.936 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.615 5.645 -5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.257 7.154 -5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.978 3.721 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.532 3.548 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.009 3.525 -5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.450 6.309 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.998 6.324 -2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.346 4.792 -3.424 1.00 0.00 H new ATOM 777 N LYS A 57 -6.572 7.853 -5.760 1.00 0.00 N ATOM 778 CA LYS A 57 -6.881 9.270 -5.822 1.00 0.00 C ATOM 779 C LYS A 57 -5.669 10.067 -5.350 1.00 0.00 C ATOM 780 O LYS A 57 -4.975 9.646 -4.425 1.00 0.00 O ATOM 781 CB LYS A 57 -8.097 9.649 -4.960 1.00 0.00 C ATOM 782 CG LYS A 57 -9.288 8.671 -4.987 1.00 0.00 C ATOM 783 CD LYS A 57 -9.307 7.618 -3.859 1.00 0.00 C ATOM 784 CE LYS A 57 -9.644 8.201 -2.475 1.00 0.00 C ATOM 785 NZ LYS A 57 -9.413 7.208 -1.404 1.00 0.00 N ATOM 0 H LYS A 57 -7.173 7.331 -5.122 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.127 9.505 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.764 9.754 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.452 10.628 -5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.211 9.248 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.288 8.152 -5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.036 6.847 -4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.333 7.132 -3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.034 9.085 -2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.685 8.523 -2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.248 7.701 -0.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.247 6.593 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.581 6.630 -1.640 1.00 0.00 H new ATOM 795 N ASP A 58 -5.464 11.228 -5.962 1.00 0.00 N ATOM 796 CA ASP A 58 -4.372 12.158 -5.749 1.00 0.00 C ATOM 797 C ASP A 58 -4.380 12.690 -4.318 1.00 0.00 C ATOM 798 O ASP A 58 -3.343 12.774 -3.658 1.00 0.00 O ATOM 799 CB ASP A 58 -4.507 13.227 -6.828 1.00 0.00 C ATOM 800 CG ASP A 58 -3.769 12.814 -8.103 1.00 0.00 C ATOM 801 OD1 ASP A 58 -3.757 11.592 -8.399 1.00 0.00 O ATOM 802 OD2 ASP A 58 -3.202 13.713 -8.752 1.00 0.00 O ATOM 0 H ASP A 58 -6.111 11.565 -6.675 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.394 11.687 -5.845 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.561 13.393 -7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.106 14.172 -6.461 1.00 0.00 H new ATOM 806 N ALA A 59 -5.581 12.962 -3.811 1.00 0.00 N ATOM 807 CA ALA A 59 -5.783 13.200 -2.393 1.00 0.00 C ATOM 808 C ALA A 59 -5.141 12.091 -1.561 1.00 0.00 C ATOM 809 O ALA A 59 -4.229 12.369 -0.787 1.00 0.00 O ATOM 810 CB ALA A 59 -7.275 13.364 -2.087 1.00 0.00 C ATOM 0 H ALA A 59 -6.432 13.022 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.289 14.132 -2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.410 13.542 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.671 14.210 -2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.807 12.457 -2.374 1.00 0.00 H new ATOM 816 N THR A 60 -5.577 10.836 -1.729 1.00 0.00 N ATOM 817 CA THR A 60 -4.986 9.740 -0.975 1.00 0.00 C ATOM 818 C THR A 60 -3.488 9.593 -1.229 1.00 0.00 C ATOM 819 O THR A 60 -2.755 9.304 -0.301 1.00 0.00 O ATOM 820 CB THR A 60 -5.718 8.407 -1.175 1.00 0.00 C ATOM 821 OG1 THR A 60 -6.433 8.381 -2.395 1.00 0.00 O ATOM 822 CG2 THR A 60 -6.687 8.199 -0.010 1.00 0.00 C ATOM 0 H THR A 60 -6.323 10.564 -2.369 1.00 0.00 H new ATOM 0 HA THR A 60 -5.112 10.013 0.073 1.00 0.00 H new ATOM 0 HB THR A 60 -4.978 7.608 -1.208 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.882 8.772 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.215 7.254 -0.140 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.130 8.178 0.927 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.408 9.016 0.014 1.00 0.00 H new ATOM 830 N LYS A 61 -3.025 9.786 -2.459 1.00 0.00 N ATOM 831 CA LYS A 61 -1.602 9.806 -2.788 1.00 0.00 C ATOM 832 C LYS A 61 -0.841 10.717 -1.826 1.00 0.00 C ATOM 833 O LYS A 61 0.101 10.264 -1.186 1.00 0.00 O ATOM 834 CB LYS A 61 -1.428 10.280 -4.245 1.00 0.00 C ATOM 835 CG LYS A 61 -1.113 9.233 -5.326 1.00 0.00 C ATOM 836 CD LYS A 61 -1.965 9.614 -6.546 1.00 0.00 C ATOM 837 CE LYS A 61 -1.843 8.781 -7.819 1.00 0.00 C ATOM 838 NZ LYS A 61 -2.970 9.117 -8.720 1.00 0.00 N ATOM 0 H LYS A 61 -3.632 9.935 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.192 8.801 -2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.344 10.793 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.629 11.021 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.052 9.236 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.356 8.229 -4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.010 9.594 -6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.729 10.646 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.892 8.983 -8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.857 7.718 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.707 8.898 -9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.806 8.559 -8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.189 10.130 -8.638 1.00 0.00 H new ATOM 848 N SER A 62 -1.248 11.983 -1.696 1.00 0.00 N ATOM 849 CA SER A 62 -0.554 12.866 -0.766 1.00 0.00 C ATOM 850 C SER A 62 -0.718 12.330 0.662 1.00 0.00 C ATOM 851 O SER A 62 0.261 12.027 1.355 1.00 0.00 O ATOM 852 CB SER A 62 -1.089 14.296 -0.928 1.00 0.00 C ATOM 853 OG SER A 62 -0.362 15.187 -0.106 1.00 0.00 O ATOM 0 H SER A 62 -2.026 12.404 -2.204 1.00 0.00 H new ATOM 0 HA SER A 62 0.514 12.893 -0.981 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.010 14.605 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.146 14.328 -0.665 1.00 0.00 H new ATOM 0 HG SER A 62 -0.711 16.096 -0.219 1.00 0.00 H new ATOM 858 N TYR A 63 -1.985 12.170 1.063 1.00 0.00 N ATOM 859 CA TYR A 63 -2.429 11.769 2.392 1.00 0.00 C ATOM 860 C TYR A 63 -1.735 10.502 2.873 1.00 0.00 C ATOM 861 O TYR A 63 -1.591 10.306 4.077 1.00 0.00 O ATOM 862 CB TYR A 63 -3.943 11.505 2.350 1.00 0.00 C ATOM 863 CG TYR A 63 -4.741 11.485 3.645 1.00 0.00 C ATOM 864 CD1 TYR A 63 -4.235 12.019 4.848 1.00 0.00 C ATOM 865 CD2 TYR A 63 -6.078 11.036 3.600 1.00 0.00 C ATOM 866 CE1 TYR A 63 -5.065 12.134 5.978 1.00 0.00 C ATOM 867 CE2 TYR A 63 -6.923 11.221 4.707 1.00 0.00 C ATOM 868 CZ TYR A 63 -6.414 11.756 5.900 1.00 0.00 C ATOM 869 OH TYR A 63 -7.229 11.879 6.984 1.00 0.00 O ATOM 0 H TYR A 63 -2.768 12.327 0.428 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.181 12.576 3.082 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.388 12.263 1.705 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.092 10.543 1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.206 12.341 4.902 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.453 10.549 2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.664 12.513 6.906 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.966 10.951 4.640 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.130 11.572 6.752 1.00 0.00 H new ATOM 878 N CYS A 64 -1.374 9.621 1.938 1.00 0.00 N ATOM 879 CA CYS A 64 -0.786 8.329 2.226 1.00 0.00 C ATOM 880 C CYS A 64 0.585 8.198 1.583 1.00 0.00 C ATOM 881 O CYS A 64 0.970 7.075 1.286 1.00 0.00 O ATOM 882 CB CYS A 64 -1.717 7.187 1.787 1.00 0.00 C ATOM 883 SG CYS A 64 -3.247 7.039 2.729 1.00 0.00 S ATOM 0 H CYS A 64 -1.488 9.798 0.940 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.656 8.254 3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.968 7.328 0.736 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.171 6.246 1.860 1.00 0.00 H new ATOM 887 N ASP A 65 1.373 9.270 1.458 1.00 0.00 N ATOM 888 CA ASP A 65 2.802 9.153 1.169 1.00 0.00 C ATOM 889 C ASP A 65 3.627 10.127 2.009 1.00 0.00 C ATOM 890 O ASP A 65 4.561 9.729 2.715 1.00 0.00 O ATOM 891 CB ASP A 65 3.027 9.375 -0.323 1.00 0.00 C ATOM 892 CG ASP A 65 4.418 8.902 -0.726 1.00 0.00 C ATOM 893 OD1 ASP A 65 4.569 7.677 -0.959 1.00 0.00 O ATOM 894 OD2 ASP A 65 5.315 9.765 -0.783 1.00 0.00 O ATOM 0 H ASP A 65 1.043 10.230 1.553 1.00 0.00 H new ATOM 0 HA ASP A 65 3.138 8.151 1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.272 8.835 -0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.912 10.432 -0.561 1.00 0.00 H new ATOM 898 N VAL A 66 3.223 11.404 1.974 1.00 0.00 N ATOM 899 CA VAL A 66 3.876 12.503 2.684 1.00 0.00 C ATOM 900 C VAL A 66 4.082 12.151 4.162 1.00 0.00 C ATOM 901 O VAL A 66 5.105 12.502 4.743 1.00 0.00 O ATOM 902 CB VAL A 66 3.060 13.797 2.503 1.00 0.00 C ATOM 903 CG1 VAL A 66 3.681 14.970 3.277 1.00 0.00 C ATOM 904 CG2 VAL A 66 2.984 14.191 1.020 1.00 0.00 C ATOM 0 H VAL A 66 2.411 11.705 1.436 1.00 0.00 H new ATOM 0 HA VAL A 66 4.866 12.669 2.260 1.00 0.00 H new ATOM 0 HB VAL A 66 2.062 13.594 2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.078 15.866 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.712 14.729 4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.694 15.149 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.403 15.107 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.991 14.354 0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.504 13.392 0.455 1.00 0.00 H new ATOM 914 N GLN A 67 3.114 11.414 4.714 1.00 0.00 N ATOM 915 CA GLN A 67 3.136 10.676 5.965 1.00 0.00 C ATOM 916 C GLN A 67 4.549 10.373 6.455 1.00 0.00 C ATOM 917 O GLN A 67 4.967 10.866 7.500 1.00 0.00 O ATOM 918 CB GLN A 67 2.389 9.368 5.677 1.00 0.00 C ATOM 919 CG GLN A 67 0.878 9.592 5.651 1.00 0.00 C ATOM 920 CD GLN A 67 0.230 9.813 6.967 1.00 0.00 C ATOM 921 OE1 GLN A 67 0.793 9.678 8.047 1.00 0.00 O ATOM 922 NE2 GLN A 67 -1.043 10.099 6.810 1.00 0.00 N ATOM 0 H GLN A 67 2.213 11.314 4.246 1.00 0.00 H new ATOM 0 HA GLN A 67 2.675 11.267 6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.716 8.962 4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.637 8.629 6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.669 10.453 5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.411 8.728 5.179 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.432 10.194 5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.642 10.226 7.626 1.00 0.00 H new ATOM 929 N ILE A 68 5.259 9.534 5.703 1.00 0.00 N ATOM 930 CA ILE A 68 6.615 9.134 6.002 1.00 0.00 C ATOM 931 C ILE A 68 7.565 9.952 5.123 1.00 0.00 C ATOM 932 O ILE A 68 8.602 10.409 5.599 1.00 0.00 O ATOM 933 CB ILE A 68 6.722 7.611 5.841 1.00 0.00 C ATOM 934 CG1 ILE A 68 5.920 6.971 6.991 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.181 7.164 5.840 1.00 0.00 C ATOM 936 CD1 ILE A 68 5.944 5.439 7.034 1.00 0.00 C ATOM 0 H ILE A 68 4.891 9.109 4.852 1.00 0.00 H new ATOM 0 HA ILE A 68 6.904 9.344 7.032 1.00 0.00 H new ATOM 0 HB ILE A 68 6.310 7.291 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.307 7.351 7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.883 7.300 6.916 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.230 6.081 5.725 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.707 7.641 5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.650 7.450 6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.351 5.089 7.879 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.527 5.042 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.972 5.094 7.145 1.00 0.00 H new ATOM 947 N ILE A 69 7.214 10.167 3.850 1.00 0.00 N ATOM 948 CA ILE A 69 7.985 11.035 2.970 1.00 0.00 C ATOM 949 C ILE A 69 7.655 12.485 3.316 1.00 0.00 C ATOM 950 O ILE A 69 8.494 13.375 3.175 1.00 0.00 O ATOM 951 CB ILE A 69 7.683 10.687 1.501 1.00 0.00 C ATOM 952 CG1 ILE A 69 8.065 9.233 1.163 1.00 0.00 C ATOM 953 CG2 ILE A 69 8.363 11.660 0.526 1.00 0.00 C ATOM 954 CD1 ILE A 69 9.568 8.932 1.191 1.00 0.00 C ATOM 0 H ILE A 69 6.396 9.747 3.410 1.00 0.00 H new ATOM 0 HA ILE A 69 9.056 10.890 3.110 1.00 0.00 H new ATOM 0 HB ILE A 69 6.605 10.789 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.564 8.569 1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.681 8.994 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.122 11.376 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.007 12.673 0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.443 11.623 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.734 7.884 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 69 10.079 9.564 0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.961 9.133 2.188 1.00 0.00 H new