USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=21 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 23 ASN : amide:sc= 1.6 K(o=2,f=-2.5) USER MOD Set 1.2: A 34 SER OG : rot 32:sc= 0.371 USER MOD Set 2.1: A 12 LYS NZ :NH3+ -117:sc= 3.03 (180deg=-0.281) USER MOD Set 2.2: A 14 SER OG : rot -167:sc= 1.67 USER MOD Set 2.3: A 21 TYR OH : rot 180:sc= 0.819 USER MOD Set 3.1: A 5 TYR OH : rot -2:sc= 1.16 USER MOD Set 3.2: A 57 LYS NZ :NH3+ -172:sc= 2.12 (180deg=-0.116) USER MOD Set 3.3: A 60 THR OG1 : rot 72:sc= 1.03 USER MOD Single : A 2 LYS NZ :NH3+ -155:sc= -0.837 (180deg=-3.73!) USER MOD Single : A 3 ASN : amide:sc= 0.832 K(o=0.83,f=-1.8) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 40:sc= 1.15 USER MOD Single : A 19 ASN : amide:sc= -0.021 K(o=-0.021,f=-5.4!) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 24 ASN : amide:sc=-0.000106 X(o=-0.00011,f=0) USER MOD Single : A 27 THR OG1 : rot 79:sc= 0.993 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 165:sc= 1.32 USER MOD Single : A 31 TYR OH : rot 32:sc= 1.22 USER MOD Single : A 33 THR OG1 : rot -23:sc= 0.492 USER MOD Single : A 36 TYR OH : rot -16:sc= 0.786 USER MOD Single : A 41 SER OG : rot 180:sc= -0.438 USER MOD Single : A 43 TYR OH : rot -173:sc= -0.103 USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 1.02 (180deg=0.808) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= 1.13 (180deg=0.0518) 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= 1.14 K(o=1.1,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 2 7.485 1.877 -7.219 1.00 0.00 N ATOM 20 CA LYS A 2 6.621 3.040 -7.032 1.00 0.00 C ATOM 21 C LYS A 2 6.156 3.028 -5.576 1.00 0.00 C ATOM 22 O LYS A 2 6.710 2.283 -4.777 1.00 0.00 O ATOM 23 CB LYS A 2 5.451 2.918 -8.010 1.00 0.00 C ATOM 24 CG LYS A 2 4.848 1.525 -7.828 1.00 0.00 C ATOM 25 CD LYS A 2 3.364 1.466 -8.130 1.00 0.00 C ATOM 26 CE LYS A 2 3.105 1.855 -9.593 1.00 0.00 C ATOM 27 NZ LYS A 2 1.710 1.600 -9.995 1.00 0.00 N ATOM 0 HA LYS A 2 7.131 3.983 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.705 3.688 -7.814 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.792 3.058 -9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.371 0.823 -8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.016 1.196 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.987 0.461 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.823 2.140 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.335 2.911 -9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.777 1.293 -10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.665 1.462 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.361 0.745 -9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.118 2.412 -9.728 1.00 0.00 H new ATOM 37 N ASN A 3 5.068 3.731 -5.266 1.00 0.00 N ATOM 38 CA ASN A 3 4.252 3.515 -4.078 1.00 0.00 C ATOM 39 C ASN A 3 2.836 3.308 -4.609 1.00 0.00 C ATOM 40 O ASN A 3 2.518 3.832 -5.679 1.00 0.00 O ATOM 41 CB ASN A 3 4.319 4.735 -3.164 1.00 0.00 C ATOM 42 CG ASN A 3 5.717 5.240 -2.844 1.00 0.00 C ATOM 43 OD1 ASN A 3 6.707 4.514 -2.853 1.00 0.00 O ATOM 44 ND2 ASN A 3 5.796 6.524 -2.551 1.00 0.00 N ATOM 0 H ASN A 3 4.722 4.489 -5.854 1.00 0.00 H new ATOM 0 HA ASN A 3 4.591 2.664 -3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.757 5.545 -3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.816 4.493 -2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.699 6.941 -2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.954 7.100 -2.552 1.00 0.00 H new ATOM 50 N GLY A 4 1.996 2.517 -3.943 1.00 0.00 N ATOM 51 CA GLY A 4 0.720 2.121 -4.530 1.00 0.00 C ATOM 52 C GLY A 4 -0.117 1.292 -3.564 1.00 0.00 C ATOM 53 O GLY A 4 0.374 0.891 -2.507 1.00 0.00 O ATOM 0 H GLY A 4 2.173 2.143 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.163 3.011 -4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.901 1.547 -5.439 1.00 0.00 H new ATOM 57 N TYR A 5 -1.375 1.039 -3.944 1.00 0.00 N ATOM 58 CA TYR A 5 -2.248 0.121 -3.229 1.00 0.00 C ATOM 59 C TYR A 5 -1.978 -1.310 -3.662 1.00 0.00 C ATOM 60 O TYR A 5 -2.096 -1.612 -4.844 1.00 0.00 O ATOM 61 CB TYR A 5 -3.734 0.456 -3.436 1.00 0.00 C ATOM 62 CG TYR A 5 -4.400 1.571 -2.646 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.799 2.173 -1.526 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.691 1.979 -3.034 1.00 0.00 C ATOM 65 CE1 TYR A 5 -4.442 3.237 -0.869 1.00 0.00 C ATOM 66 CE2 TYR A 5 -6.374 2.970 -2.313 1.00 0.00 C ATOM 67 CZ TYR A 5 -5.768 3.572 -1.201 1.00 0.00 C ATOM 68 OH TYR A 5 -6.429 4.566 -0.535 1.00 0.00 O ATOM 0 H TYR A 5 -1.811 1.470 -4.759 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.028 0.229 -2.167 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.865 0.690 -4.492 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.298 -0.456 -3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.843 1.818 -1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.160 1.525 -3.895 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.918 3.798 -0.109 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.367 3.269 -2.615 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.852 4.927 0.170 1.00 0.00 H new ATOM 77 N ALA A 6 -1.654 -2.190 -2.710 1.00 0.00 N ATOM 78 CA ALA A 6 -1.462 -3.603 -3.002 1.00 0.00 C ATOM 79 C ALA A 6 -2.790 -4.339 -2.844 1.00 0.00 C ATOM 80 O ALA A 6 -3.547 -4.048 -1.917 1.00 0.00 O ATOM 81 CB ALA A 6 -0.399 -4.191 -2.073 1.00 0.00 C ATOM 0 H ALA A 6 -1.520 -1.942 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.116 -3.720 -4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.263 -5.248 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.544 -3.664 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.720 -4.080 -1.037 1.00 0.00 H new ATOM 87 N VAL A 7 -3.057 -5.302 -3.730 1.00 0.00 N ATOM 88 CA VAL A 7 -4.150 -6.253 -3.581 1.00 0.00 C ATOM 89 C VAL A 7 -3.617 -7.677 -3.576 1.00 0.00 C ATOM 90 O VAL A 7 -2.496 -7.928 -4.018 1.00 0.00 O ATOM 91 CB VAL A 7 -5.209 -6.094 -4.675 1.00 0.00 C ATOM 92 CG1 VAL A 7 -6.047 -4.850 -4.415 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.617 -6.073 -6.090 1.00 0.00 C ATOM 0 H VAL A 7 -2.510 -5.441 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.631 -6.042 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.848 -6.976 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.797 -4.746 -5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.542 -4.941 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.402 -3.971 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.420 -5.958 -6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.922 -5.238 -6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.088 -7.008 -6.277 1.00 0.00 H new ATOM 103 N ASP A 8 -4.437 -8.584 -3.043 1.00 0.00 N ATOM 104 CA ASP A 8 -4.066 -9.941 -2.685 1.00 0.00 C ATOM 105 C ASP A 8 -3.720 -10.817 -3.875 1.00 0.00 C ATOM 106 O ASP A 8 -3.816 -10.420 -5.036 1.00 0.00 O ATOM 107 CB ASP A 8 -5.252 -10.612 -1.981 1.00 0.00 C ATOM 108 CG ASP A 8 -4.819 -11.318 -0.717 1.00 0.00 C ATOM 109 OD1 ASP A 8 -4.118 -12.337 -0.889 1.00 0.00 O ATOM 110 OD2 ASP A 8 -5.186 -10.809 0.366 1.00 0.00 O ATOM 0 H ASP A 8 -5.416 -8.378 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.182 -9.853 -2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.005 -9.862 -1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.720 -11.328 -2.657 1.00 0.00 H new ATOM 114 N SER A 9 -3.571 -12.098 -3.557 1.00 0.00 N ATOM 115 CA SER A 9 -3.655 -13.196 -4.504 1.00 0.00 C ATOM 116 C SER A 9 -5.135 -13.460 -4.834 1.00 0.00 C ATOM 117 O SER A 9 -5.614 -14.589 -4.758 1.00 0.00 O ATOM 118 CB SER A 9 -2.938 -14.420 -3.915 1.00 0.00 C ATOM 119 OG SER A 9 -2.555 -15.325 -4.934 1.00 0.00 O ATOM 0 H SER A 9 -3.383 -12.407 -2.603 1.00 0.00 H new ATOM 0 HA SER A 9 -3.156 -12.953 -5.442 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.057 -14.097 -3.361 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.594 -14.923 -3.205 1.00 0.00 H new ATOM 0 HG SER A 9 -2.099 -16.095 -4.534 1.00 0.00 H new ATOM 124 N SER A 10 -5.873 -12.393 -5.162 1.00 0.00 N ATOM 125 CA SER A 10 -7.297 -12.373 -5.491 1.00 0.00 C ATOM 126 C SER A 10 -7.693 -10.991 -6.024 1.00 0.00 C ATOM 127 O SER A 10 -8.523 -10.898 -6.921 1.00 0.00 O ATOM 128 CB SER A 10 -8.172 -12.713 -4.274 1.00 0.00 C ATOM 129 OG SER A 10 -8.171 -14.096 -3.987 1.00 0.00 O ATOM 0 H SER A 10 -5.461 -11.461 -5.207 1.00 0.00 H new ATOM 0 HA SER A 10 -7.464 -13.133 -6.254 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.812 -12.163 -3.405 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.194 -12.383 -4.460 1.00 0.00 H new ATOM 0 HG SER A 10 -7.269 -14.457 -4.118 1.00 0.00 H new ATOM 134 N GLY A 11 -7.133 -9.916 -5.457 1.00 0.00 N ATOM 135 CA GLY A 11 -7.415 -8.556 -5.833 1.00 0.00 C ATOM 136 C GLY A 11 -8.243 -7.827 -4.774 1.00 0.00 C ATOM 137 O GLY A 11 -8.574 -6.659 -4.963 1.00 0.00 O ATOM 0 H GLY A 11 -6.452 -9.988 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.478 -8.022 -5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.951 -8.546 -6.782 1.00 0.00 H new ATOM 141 N LYS A 12 -8.561 -8.475 -3.644 1.00 0.00 N ATOM 142 CA LYS A 12 -9.056 -7.730 -2.499 1.00 0.00 C ATOM 143 C LYS A 12 -7.911 -6.864 -1.970 1.00 0.00 C ATOM 144 O LYS A 12 -6.751 -7.276 -2.043 1.00 0.00 O ATOM 145 CB LYS A 12 -9.639 -8.656 -1.411 1.00 0.00 C ATOM 146 CG LYS A 12 -8.613 -9.507 -0.632 1.00 0.00 C ATOM 147 CD LYS A 12 -9.043 -9.701 0.834 1.00 0.00 C ATOM 148 CE LYS A 12 -7.901 -10.113 1.784 1.00 0.00 C ATOM 149 NZ LYS A 12 -6.742 -9.194 1.715 1.00 0.00 N ATOM 0 H LYS A 12 -8.485 -9.483 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.885 -7.092 -2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.191 -8.044 -0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.359 -9.327 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.504 -10.479 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.637 -9.024 -0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.483 -8.772 1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.824 -10.461 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.277 -10.141 2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.574 -11.123 1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.908 -9.712 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.957 -8.413 1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.546 -8.811 2.662 1.00 0.00 H new ATOM 159 N VAL A 13 -8.221 -5.706 -1.393 1.00 0.00 N ATOM 160 CA VAL A 13 -7.266 -5.009 -0.543 1.00 0.00 C ATOM 161 C VAL A 13 -7.133 -5.787 0.770 1.00 0.00 C ATOM 162 O VAL A 13 -7.775 -6.822 0.960 1.00 0.00 O ATOM 163 CB VAL A 13 -7.713 -3.549 -0.318 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.745 -2.796 -1.653 1.00 0.00 C ATOM 165 CG2 VAL A 13 -9.075 -3.430 0.379 1.00 0.00 C ATOM 0 H VAL A 13 -9.120 -5.235 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.287 -4.963 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.978 -3.101 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.062 -1.767 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.750 -2.801 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.446 -3.284 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.328 -2.377 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.838 -3.916 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.027 -3.912 1.356 1.00 0.00 H new ATOM 175 N SER A 14 -6.347 -5.277 1.712 1.00 0.00 N ATOM 176 CA SER A 14 -6.599 -5.499 3.124 1.00 0.00 C ATOM 177 C SER A 14 -6.827 -4.107 3.712 1.00 0.00 C ATOM 178 O SER A 14 -6.220 -3.143 3.243 1.00 0.00 O ATOM 179 CB SER A 14 -5.433 -6.239 3.792 1.00 0.00 C ATOM 180 OG SER A 14 -5.409 -7.620 3.446 1.00 0.00 O ATOM 0 H SER A 14 -5.526 -4.704 1.517 1.00 0.00 H new ATOM 0 HA SER A 14 -7.464 -6.140 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.492 -5.775 3.496 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.512 -6.138 4.874 1.00 0.00 H new ATOM 0 HG SER A 14 -4.790 -8.095 4.039 1.00 0.00 H new ATOM 185 N GLU A 15 -7.736 -4.022 4.684 1.00 0.00 N ATOM 186 CA GLU A 15 -8.057 -2.834 5.446 1.00 0.00 C ATOM 187 C GLU A 15 -6.872 -2.561 6.372 1.00 0.00 C ATOM 188 O GLU A 15 -6.058 -1.683 6.097 1.00 0.00 O ATOM 189 CB GLU A 15 -9.390 -3.134 6.164 1.00 0.00 C ATOM 190 CG GLU A 15 -9.697 -2.301 7.417 1.00 0.00 C ATOM 191 CD GLU A 15 -9.643 -3.102 8.721 1.00 0.00 C ATOM 192 OE1 GLU A 15 -8.946 -4.142 8.724 1.00 0.00 O ATOM 193 OE2 GLU A 15 -10.300 -2.662 9.687 1.00 0.00 O ATOM 0 H GLU A 15 -8.293 -4.828 4.969 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.201 -1.929 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.202 -2.989 5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.397 -4.187 6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.985 -1.478 7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.688 -1.859 7.314 1.00 0.00 H new ATOM 198 N CYS A 16 -6.791 -3.377 7.419 1.00 0.00 N ATOM 199 CA CYS A 16 -5.844 -3.359 8.521 1.00 0.00 C ATOM 200 C CYS A 16 -5.978 -2.143 9.429 1.00 0.00 C ATOM 201 O CYS A 16 -6.451 -1.082 9.030 1.00 0.00 O ATOM 202 CB CYS A 16 -4.397 -3.675 8.115 1.00 0.00 C ATOM 203 SG CYS A 16 -3.344 -2.436 7.302 1.00 0.00 S ATOM 0 H CYS A 16 -7.456 -4.143 7.524 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.139 -4.204 9.143 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.876 -3.988 9.020 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.436 -4.540 7.453 1.00 0.00 H new ATOM 207 N LEU A 17 -5.549 -2.332 10.679 1.00 0.00 N ATOM 208 CA LEU A 17 -5.463 -1.292 11.694 1.00 0.00 C ATOM 209 C LEU A 17 -3.986 -0.991 11.956 1.00 0.00 C ATOM 210 O LEU A 17 -3.556 0.160 11.924 1.00 0.00 O ATOM 211 CB LEU A 17 -6.172 -1.756 12.977 1.00 0.00 C ATOM 212 CG LEU A 17 -7.622 -2.223 12.763 1.00 0.00 C ATOM 213 CD1 LEU A 17 -8.190 -2.726 14.095 1.00 0.00 C ATOM 214 CD2 LEU A 17 -8.518 -1.104 12.219 1.00 0.00 C ATOM 0 H LEU A 17 -5.243 -3.244 11.018 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.957 -0.383 11.352 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.601 -2.572 13.419 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.168 -0.938 13.697 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.608 -3.023 12.022 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.218 -3.058 13.950 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.587 -3.559 14.456 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.170 -1.919 14.827 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.531 -1.482 12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.531 -0.273 12.924 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.129 -0.760 11.261 1.00 0.00 H new ATOM 225 N LEU A 18 -3.194 -2.037 12.219 1.00 0.00 N ATOM 226 CA LEU A 18 -1.784 -1.909 12.539 1.00 0.00 C ATOM 227 C LEU A 18 -0.958 -1.870 11.253 1.00 0.00 C ATOM 228 O LEU A 18 -0.748 -2.899 10.612 1.00 0.00 O ATOM 229 CB LEU A 18 -1.344 -3.042 13.477 1.00 0.00 C ATOM 230 CG LEU A 18 -1.863 -4.437 13.075 1.00 0.00 C ATOM 231 CD1 LEU A 18 -0.751 -5.467 13.247 1.00 0.00 C ATOM 232 CD2 LEU A 18 -3.061 -4.855 13.939 1.00 0.00 C ATOM 0 H LEU A 18 -3.526 -3.002 12.213 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.615 -0.971 13.067 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.255 -3.068 13.510 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.688 -2.816 14.486 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.180 -4.390 12.033 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.120 -6.452 12.962 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.094 -5.199 12.613 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.431 -5.487 14.289 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.404 -5.843 13.632 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.761 -4.885 14.987 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.869 -4.135 13.813 1.00 0.00 H new ATOM 243 N ASN A 19 -0.449 -0.684 10.906 1.00 0.00 N ATOM 244 CA ASN A 19 0.519 -0.456 9.830 1.00 0.00 C ATOM 245 C ASN A 19 1.533 -1.595 9.673 1.00 0.00 C ATOM 246 O ASN A 19 1.839 -2.007 8.553 1.00 0.00 O ATOM 247 CB ASN A 19 1.260 0.876 10.043 1.00 0.00 C ATOM 248 CG ASN A 19 2.058 0.965 11.339 1.00 0.00 C ATOM 249 OD1 ASN A 19 1.863 0.191 12.273 1.00 0.00 O ATOM 250 ND2 ASN A 19 2.950 1.944 11.416 1.00 0.00 N ATOM 0 H ASN A 19 -0.711 0.177 11.386 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.059 -0.416 8.907 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.937 1.037 9.204 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.532 1.687 10.025 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.497 2.070 12.268 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.089 2.571 10.623 1.00 0.00 H new ATOM 256 N ASN A 20 2.062 -2.092 10.791 1.00 0.00 N ATOM 257 CA ASN A 20 3.030 -3.180 10.841 1.00 0.00 C ATOM 258 C ASN A 20 2.587 -4.372 9.992 1.00 0.00 C ATOM 259 O ASN A 20 3.400 -4.900 9.235 1.00 0.00 O ATOM 260 CB ASN A 20 3.278 -3.608 12.294 1.00 0.00 C ATOM 261 CG ASN A 20 3.995 -2.540 13.119 1.00 0.00 C ATOM 262 OD1 ASN A 20 4.601 -1.620 12.579 1.00 0.00 O ATOM 263 ND2 ASN A 20 3.934 -2.651 14.442 1.00 0.00 N ATOM 0 H ASN A 20 1.819 -1.735 11.715 1.00 0.00 H new ATOM 0 HA ASN A 20 3.965 -2.812 10.420 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.324 -3.843 12.765 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.871 -4.523 12.301 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.398 -1.962 15.034 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.423 -3.426 14.866 1.00 0.00 H new ATOM 269 N TYR A 21 1.313 -4.783 10.087 1.00 0.00 N ATOM 270 CA TYR A 21 0.778 -5.861 9.256 1.00 0.00 C ATOM 271 C TYR A 21 1.034 -5.522 7.793 1.00 0.00 C ATOM 272 O TYR A 21 1.613 -6.320 7.056 1.00 0.00 O ATOM 273 CB TYR A 21 -0.728 -6.068 9.511 1.00 0.00 C ATOM 274 CG TYR A 21 -1.485 -6.791 8.403 1.00 0.00 C ATOM 275 CD1 TYR A 21 -2.051 -6.048 7.350 1.00 0.00 C ATOM 276 CD2 TYR A 21 -1.615 -8.192 8.405 1.00 0.00 C ATOM 277 CE1 TYR A 21 -2.725 -6.692 6.302 1.00 0.00 C ATOM 278 CE2 TYR A 21 -2.325 -8.838 7.374 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.882 -8.087 6.321 1.00 0.00 C ATOM 280 OH TYR A 21 -3.568 -8.698 5.310 1.00 0.00 O ATOM 0 H TYR A 21 0.636 -4.380 10.735 1.00 0.00 H new ATOM 0 HA TYR A 21 1.279 -6.794 9.512 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.849 -6.630 10.437 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.190 -5.093 9.667 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.965 -4.971 7.349 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.169 -8.773 9.199 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.123 -6.115 5.481 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.442 -9.911 7.391 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.589 -9.665 5.467 1.00 0.00 H new ATOM 289 N CYS A 22 0.593 -4.330 7.385 1.00 0.00 N ATOM 290 CA CYS A 22 0.660 -3.928 5.992 1.00 0.00 C ATOM 291 C CYS A 22 2.091 -4.012 5.510 1.00 0.00 C ATOM 292 O CYS A 22 2.368 -4.617 4.484 1.00 0.00 O ATOM 293 CB CYS A 22 0.165 -2.491 5.792 1.00 0.00 C ATOM 294 SG CYS A 22 -0.290 -2.218 4.075 1.00 0.00 S ATOM 0 H CYS A 22 0.186 -3.630 8.006 1.00 0.00 H new ATOM 0 HA CYS A 22 0.018 -4.601 5.424 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.693 -2.302 6.437 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.944 -1.787 6.085 1.00 0.00 H new ATOM 298 N ASN A 23 3.005 -3.418 6.275 1.00 0.00 N ATOM 299 CA ASN A 23 4.406 -3.372 5.897 1.00 0.00 C ATOM 300 C ASN A 23 4.975 -4.780 5.796 1.00 0.00 C ATOM 301 O ASN A 23 5.583 -5.114 4.782 1.00 0.00 O ATOM 302 CB ASN A 23 5.211 -2.553 6.914 1.00 0.00 C ATOM 303 CG ASN A 23 4.975 -1.058 6.762 1.00 0.00 C ATOM 304 OD1 ASN A 23 5.782 -0.365 6.162 1.00 0.00 O ATOM 305 ND2 ASN A 23 3.874 -0.537 7.290 1.00 0.00 N ATOM 0 H ASN A 23 2.794 -2.962 7.163 1.00 0.00 H new ATOM 0 HA ASN A 23 4.482 -2.891 4.922 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.939 -2.861 7.923 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.273 -2.766 6.791 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.688 0.462 7.199 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.214 -1.135 7.787 1.00 0.00 H new ATOM 311 N ASN A 24 4.793 -5.609 6.830 1.00 0.00 N ATOM 312 CA ASN A 24 5.273 -6.969 6.852 1.00 0.00 C ATOM 313 C ASN A 24 4.856 -7.737 5.602 1.00 0.00 C ATOM 314 O ASN A 24 5.693 -8.288 4.891 1.00 0.00 O ATOM 315 CB ASN A 24 4.729 -7.641 8.111 1.00 0.00 C ATOM 316 CG ASN A 24 5.631 -8.794 8.476 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.337 -9.957 8.223 1.00 0.00 O ATOM 318 ND2 ASN A 24 6.766 -8.440 9.061 1.00 0.00 N ATOM 0 H ASN A 24 4.300 -5.337 7.680 1.00 0.00 H new ATOM 0 HA ASN A 24 6.363 -6.968 6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.682 -6.924 8.931 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.713 -7.996 7.940 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.447 -9.152 9.325 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.958 -7.456 9.248 1.00 0.00 H new ATOM 324 N ILE A 25 3.557 -7.746 5.310 1.00 0.00 N ATOM 325 CA ILE A 25 3.009 -8.405 4.140 1.00 0.00 C ATOM 326 C ILE A 25 3.646 -7.829 2.882 1.00 0.00 C ATOM 327 O ILE A 25 4.054 -8.557 1.974 1.00 0.00 O ATOM 328 CB ILE A 25 1.484 -8.172 4.149 1.00 0.00 C ATOM 329 CG1 ILE A 25 0.838 -8.839 5.371 1.00 0.00 C ATOM 330 CG2 ILE A 25 0.814 -8.626 2.847 1.00 0.00 C ATOM 331 CD1 ILE A 25 0.650 -10.355 5.256 1.00 0.00 C ATOM 0 H ILE A 25 2.853 -7.289 5.889 1.00 0.00 H new ATOM 0 HA ILE A 25 3.218 -9.475 4.155 1.00 0.00 H new ATOM 0 HB ILE A 25 1.325 -7.096 4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.451 -8.629 6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.135 -8.379 5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.258 -8.440 2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.234 -8.070 2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.990 -9.692 2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.187 -10.734 6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.009 -10.578 4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.620 -10.832 5.116 1.00 0.00 H new ATOM 342 N CYS A 26 3.694 -6.503 2.818 1.00 0.00 N ATOM 343 CA CYS A 26 4.007 -5.846 1.564 1.00 0.00 C ATOM 344 C CYS A 26 5.450 -6.059 1.147 1.00 0.00 C ATOM 345 O CYS A 26 5.751 -6.280 -0.025 1.00 0.00 O ATOM 346 CB CYS A 26 3.598 -4.383 1.489 1.00 0.00 C ATOM 347 SG CYS A 26 3.062 -4.098 -0.215 1.00 0.00 S ATOM 0 H CYS A 26 3.523 -5.877 3.605 1.00 0.00 H new ATOM 0 HA CYS A 26 3.374 -6.346 0.830 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.793 -4.167 2.192 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.432 -3.731 1.749 1.00 0.00 H new ATOM 351 N THR A 27 6.352 -6.022 2.123 1.00 0.00 N ATOM 352 CA THR A 27 7.730 -6.402 1.893 1.00 0.00 C ATOM 353 C THR A 27 7.804 -7.904 1.591 1.00 0.00 C ATOM 354 O THR A 27 8.491 -8.303 0.654 1.00 0.00 O ATOM 355 CB THR A 27 8.638 -5.906 3.030 1.00 0.00 C ATOM 356 OG1 THR A 27 9.973 -5.822 2.585 1.00 0.00 O ATOM 357 CG2 THR A 27 8.595 -6.764 4.287 1.00 0.00 C ATOM 0 H THR A 27 6.147 -5.732 3.079 1.00 0.00 H new ATOM 0 HA THR A 27 8.125 -5.904 1.007 1.00 0.00 H new ATOM 0 HB THR A 27 8.249 -4.925 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.092 -5.002 2.061 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.264 -6.343 5.038 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.578 -6.785 4.678 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.912 -7.779 4.046 1.00 0.00 H new ATOM 365 N LYS A 28 7.062 -8.744 2.331 1.00 0.00 N ATOM 366 CA LYS A 28 7.127 -10.191 2.155 1.00 0.00 C ATOM 367 C LYS A 28 6.855 -10.597 0.703 1.00 0.00 C ATOM 368 O LYS A 28 7.557 -11.457 0.168 1.00 0.00 O ATOM 369 CB LYS A 28 6.160 -10.889 3.126 1.00 0.00 C ATOM 370 CG LYS A 28 6.285 -12.420 3.157 1.00 0.00 C ATOM 371 CD LYS A 28 7.649 -12.873 3.699 1.00 0.00 C ATOM 372 CE LYS A 28 7.648 -14.386 3.956 1.00 0.00 C ATOM 373 NZ LYS A 28 8.946 -14.856 4.488 1.00 0.00 N ATOM 0 H LYS A 28 6.412 -8.439 3.055 1.00 0.00 H new ATOM 0 HA LYS A 28 8.141 -10.516 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.332 -10.502 4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.138 -10.626 2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.491 -12.836 3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.144 -12.816 2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.433 -12.620 2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.875 -12.341 4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.855 -14.634 4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.424 -14.912 3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.904 -15.883 4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.699 -14.643 3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.148 -14.373 5.387 1.00 0.00 H new ATOM 383 N VAL A 29 5.811 -10.032 0.088 1.00 0.00 N ATOM 384 CA VAL A 29 5.272 -10.481 -1.170 1.00 0.00 C ATOM 385 C VAL A 29 5.647 -9.534 -2.319 1.00 0.00 C ATOM 386 O VAL A 29 5.951 -9.992 -3.417 1.00 0.00 O ATOM 387 CB VAL A 29 3.761 -10.603 -0.936 1.00 0.00 C ATOM 388 CG1 VAL A 29 3.020 -10.803 -2.241 1.00 0.00 C ATOM 389 CG2 VAL A 29 3.450 -11.753 0.026 1.00 0.00 C ATOM 0 H VAL A 29 5.314 -9.229 0.474 1.00 0.00 H new ATOM 0 HA VAL A 29 5.686 -11.439 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 29 3.421 -9.670 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.951 -10.886 -2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.203 -9.952 -2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.372 -11.715 -2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.373 -11.820 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.816 -12.689 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.939 -11.570 0.983 1.00 0.00 H new ATOM 399 N TYR A 30 5.576 -8.219 -2.095 1.00 0.00 N ATOM 400 CA TYR A 30 5.712 -7.195 -3.109 1.00 0.00 C ATOM 401 C TYR A 30 7.014 -6.401 -2.941 1.00 0.00 C ATOM 402 O TYR A 30 7.233 -5.429 -3.663 1.00 0.00 O ATOM 403 CB TYR A 30 4.504 -6.259 -2.989 1.00 0.00 C ATOM 404 CG TYR A 30 3.132 -6.905 -2.886 1.00 0.00 C ATOM 405 CD1 TYR A 30 2.705 -7.384 -1.640 1.00 0.00 C ATOM 406 CD2 TYR A 30 2.251 -6.964 -3.983 1.00 0.00 C ATOM 407 CE1 TYR A 30 1.440 -7.958 -1.483 1.00 0.00 C ATOM 408 CE2 TYR A 30 0.990 -7.578 -3.840 1.00 0.00 C ATOM 409 CZ TYR A 30 0.602 -8.106 -2.594 1.00 0.00 C ATOM 410 OH TYR A 30 -0.545 -8.820 -2.455 1.00 0.00 O ATOM 0 H TYR A 30 5.416 -7.834 -1.164 1.00 0.00 H new ATOM 0 HA TYR A 30 5.749 -7.661 -4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.649 -5.632 -2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 30 4.502 -5.598 -3.855 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.364 -7.308 -0.788 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.541 -6.539 -4.933 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.111 -8.286 -0.508 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.322 -7.643 -4.686 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.133 -8.646 -3.219 1.00 0.00 H new ATOM 419 N TYR A 31 7.859 -6.785 -1.975 1.00 0.00 N ATOM 420 CA TYR A 31 9.165 -6.192 -1.721 1.00 0.00 C ATOM 421 C TYR A 31 9.126 -4.683 -1.482 1.00 0.00 C ATOM 422 O TYR A 31 10.127 -3.996 -1.672 1.00 0.00 O ATOM 423 CB TYR A 31 10.190 -6.693 -2.725 1.00 0.00 C ATOM 424 CG TYR A 31 10.182 -8.208 -2.844 1.00 0.00 C ATOM 425 CD1 TYR A 31 10.500 -8.970 -1.703 1.00 0.00 C ATOM 426 CD2 TYR A 31 9.516 -8.824 -3.921 1.00 0.00 C ATOM 427 CE1 TYR A 31 9.976 -10.263 -1.553 1.00 0.00 C ATOM 428 CE2 TYR A 31 9.039 -10.141 -3.791 1.00 0.00 C ATOM 429 CZ TYR A 31 9.191 -10.822 -2.573 1.00 0.00 C ATOM 430 OH TYR A 31 8.495 -11.969 -2.340 1.00 0.00 O ATOM 0 H TYR A 31 7.638 -7.544 -1.330 1.00 0.00 H new ATOM 0 HA TYR A 31 9.518 -6.549 -0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.986 -6.252 -3.701 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.183 -6.359 -2.426 1.00 0.00 H new ATOM 0 HD1 TYR A 31 11.148 -8.559 -0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.372 -8.286 -4.846 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.177 -10.827 -0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.557 -10.627 -4.626 1.00 0.00 H new ATOM 0 HH TYR A 31 8.221 -12.000 -1.400 1.00 0.00 H new ATOM 439 N ALA A 32 7.996 -4.183 -0.966 1.00 0.00 N ATOM 440 CA ALA A 32 7.895 -2.834 -0.459 1.00 0.00 C ATOM 441 C ALA A 32 8.922 -2.581 0.654 1.00 0.00 C ATOM 442 O ALA A 32 9.251 -3.490 1.414 1.00 0.00 O ATOM 443 CB ALA A 32 6.474 -2.659 0.064 1.00 0.00 C ATOM 0 H ALA A 32 7.129 -4.716 -0.894 1.00 0.00 H new ATOM 0 HA ALA A 32 8.108 -2.114 -1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.353 -1.650 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.765 -2.819 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.286 -3.383 0.857 1.00 0.00 H new ATOM 449 N THR A 33 9.398 -1.341 0.769 1.00 0.00 N ATOM 450 CA THR A 33 10.224 -0.847 1.856 1.00 0.00 C ATOM 451 C THR A 33 9.411 -0.050 2.885 1.00 0.00 C ATOM 452 O THR A 33 9.956 0.267 3.942 1.00 0.00 O ATOM 453 CB THR A 33 11.402 -0.027 1.302 1.00 0.00 C ATOM 454 OG1 THR A 33 12.283 0.314 2.354 1.00 0.00 O ATOM 455 CG2 THR A 33 10.963 1.256 0.587 1.00 0.00 C ATOM 0 H THR A 33 9.205 -0.624 0.070 1.00 0.00 H new ATOM 0 HA THR A 33 10.627 -1.709 2.387 1.00 0.00 H new ATOM 0 HB THR A 33 11.898 -0.658 0.564 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.799 0.292 3.206 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.841 1.787 0.221 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.316 1.001 -0.253 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.419 1.893 1.284 1.00 0.00 H new ATOM 463 N SER A 34 8.151 0.307 2.599 1.00 0.00 N ATOM 464 CA SER A 34 7.229 0.845 3.598 1.00 0.00 C ATOM 465 C SER A 34 5.788 0.613 3.125 1.00 0.00 C ATOM 466 O SER A 34 5.582 -0.134 2.172 1.00 0.00 O ATOM 467 CB SER A 34 7.538 2.316 3.933 1.00 0.00 C ATOM 468 OG SER A 34 6.724 2.764 5.002 1.00 0.00 O ATOM 0 H SER A 34 7.746 0.229 1.666 1.00 0.00 H new ATOM 0 HA SER A 34 7.360 0.314 4.541 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.589 2.421 4.200 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.369 2.938 3.054 1.00 0.00 H new ATOM 0 HG SER A 34 6.539 2.016 5.608 1.00 0.00 H new ATOM 473 N GLY A 35 4.802 1.254 3.762 1.00 0.00 N ATOM 474 CA GLY A 35 3.369 1.013 3.591 1.00 0.00 C ATOM 475 C GLY A 35 2.682 1.293 4.914 1.00 0.00 C ATOM 476 O GLY A 35 3.338 1.730 5.861 1.00 0.00 O ATOM 0 H GLY A 35 4.993 1.989 4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.966 1.657 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.191 -0.016 3.280 1.00 0.00 H new ATOM 480 N TYR A 36 1.374 1.042 4.971 1.00 0.00 N ATOM 481 CA TYR A 36 0.532 1.214 6.149 1.00 0.00 C ATOM 482 C TYR A 36 -0.930 1.082 5.733 1.00 0.00 C ATOM 483 O TYR A 36 -1.239 0.990 4.547 1.00 0.00 O ATOM 484 CB TYR A 36 0.804 2.547 6.886 1.00 0.00 C ATOM 485 CG TYR A 36 0.980 3.789 6.036 1.00 0.00 C ATOM 486 CD1 TYR A 36 0.144 4.056 4.935 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.005 4.695 6.360 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.427 5.134 4.089 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.216 5.830 5.570 1.00 0.00 C ATOM 490 CZ TYR A 36 1.473 6.012 4.399 1.00 0.00 C ATOM 491 OH TYR A 36 1.854 6.965 3.517 1.00 0.00 O ATOM 0 H TYR A 36 0.854 0.699 4.163 1.00 0.00 H new ATOM 0 HA TYR A 36 0.776 0.432 6.868 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.021 2.725 7.576 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.703 2.421 7.489 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.715 3.430 4.744 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.631 4.514 7.221 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.161 5.289 3.197 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.951 6.564 5.864 1.00 0.00 H new ATOM 0 HH TYR A 36 1.491 6.755 2.631 1.00 0.00 H new ATOM 500 N CYS A 37 -1.827 1.095 6.714 1.00 0.00 N ATOM 501 CA CYS A 37 -3.262 1.051 6.504 1.00 0.00 C ATOM 502 C CYS A 37 -3.705 2.459 6.090 1.00 0.00 C ATOM 503 O CYS A 37 -4.031 3.281 6.945 1.00 0.00 O ATOM 504 CB CYS A 37 -3.941 0.569 7.799 1.00 0.00 C ATOM 505 SG CYS A 37 -3.151 -0.845 8.624 1.00 0.00 S ATOM 0 H CYS A 37 -1.565 1.137 7.699 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.547 0.352 5.717 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.976 1.402 8.501 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.972 0.302 7.569 1.00 0.00 H new ATOM 509 N CYS A 38 -3.663 2.785 4.792 1.00 0.00 N ATOM 510 CA CYS A 38 -4.144 4.079 4.310 1.00 0.00 C ATOM 511 C CYS A 38 -5.675 4.055 4.345 1.00 0.00 C ATOM 512 O CYS A 38 -6.256 2.976 4.401 1.00 0.00 O ATOM 513 CB CYS A 38 -3.606 4.355 2.899 1.00 0.00 C ATOM 514 SG CYS A 38 -4.240 5.838 2.069 1.00 0.00 S ATOM 0 H CYS A 38 -3.302 2.171 4.062 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.785 4.888 4.946 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.520 4.434 2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.830 3.491 2.273 1.00 0.00 H new ATOM 518 N LEU A 39 -6.307 5.236 4.304 1.00 0.00 N ATOM 519 CA LEU A 39 -7.733 5.545 4.380 1.00 0.00 C ATOM 520 C LEU A 39 -8.662 4.325 4.358 1.00 0.00 C ATOM 521 O LEU A 39 -9.428 4.111 5.293 1.00 0.00 O ATOM 522 CB LEU A 39 -8.079 6.555 3.260 1.00 0.00 C ATOM 523 CG LEU A 39 -8.829 7.795 3.775 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.960 8.820 2.643 1.00 0.00 C ATOM 525 CD2 LEU A 39 -10.225 7.452 4.307 1.00 0.00 C ATOM 0 H LEU A 39 -5.764 6.094 4.205 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.915 5.985 5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.159 6.872 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.688 6.057 2.506 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.250 8.206 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.492 9.699 3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.967 9.112 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.514 8.379 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.714 8.361 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.819 7.006 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.136 6.745 5.132 1.00 0.00 H new ATOM 536 N LEU A 40 -8.628 3.572 3.254 1.00 0.00 N ATOM 537 CA LEU A 40 -9.504 2.444 2.984 1.00 0.00 C ATOM 538 C LEU A 40 -8.742 1.197 2.523 1.00 0.00 C ATOM 539 O LEU A 40 -9.373 0.207 2.148 1.00 0.00 O ATOM 540 CB LEU A 40 -10.468 2.862 1.871 1.00 0.00 C ATOM 541 CG LEU A 40 -11.355 4.057 2.243 1.00 0.00 C ATOM 542 CD1 LEU A 40 -11.777 4.750 0.949 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.575 3.624 3.062 1.00 0.00 C ATOM 0 H LEU A 40 -7.962 3.744 2.500 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.020 2.186 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.893 3.111 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.104 2.014 1.615 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.794 4.747 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.410 5.606 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.891 5.091 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.331 4.049 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.178 4.498 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.172 2.921 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.243 3.144 3.983 1.00 0.00 H new ATOM 554 N SER A 41 -7.409 1.237 2.436 1.00 0.00 N ATOM 555 CA SER A 41 -6.645 0.155 1.821 1.00 0.00 C ATOM 556 C SER A 41 -5.176 0.150 2.246 1.00 0.00 C ATOM 557 O SER A 41 -4.579 1.198 2.486 1.00 0.00 O ATOM 558 CB SER A 41 -6.702 0.267 0.290 1.00 0.00 C ATOM 559 OG SER A 41 -8.011 0.513 -0.185 1.00 0.00 O ATOM 0 H SER A 41 -6.840 2.008 2.785 1.00 0.00 H new ATOM 0 HA SER A 41 -7.103 -0.773 2.162 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.043 1.071 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.325 -0.655 -0.153 1.00 0.00 H new ATOM 0 HG SER A 41 -7.997 0.578 -1.163 1.00 0.00 H new ATOM 564 N CYS A 42 -4.582 -1.043 2.250 1.00 0.00 N ATOM 565 CA CYS A 42 -3.147 -1.245 2.406 1.00 0.00 C ATOM 566 C CYS A 42 -2.338 -0.575 1.299 1.00 0.00 C ATOM 567 O CYS A 42 -2.455 -0.901 0.115 1.00 0.00 O ATOM 568 CB CYS A 42 -2.834 -2.751 2.439 1.00 0.00 C ATOM 569 SG CYS A 42 -2.019 -3.359 3.925 1.00 0.00 S ATOM 0 H CYS A 42 -5.100 -1.915 2.142 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.856 -0.779 3.347 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.768 -3.298 2.312 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.205 -2.990 1.581 1.00 0.00 H new ATOM 573 N TYR A 43 -1.478 0.344 1.730 1.00 0.00 N ATOM 574 CA TYR A 43 -0.508 1.042 0.928 1.00 0.00 C ATOM 575 C TYR A 43 0.834 0.394 1.097 1.00 0.00 C ATOM 576 O TYR A 43 1.116 -0.170 2.155 1.00 0.00 O ATOM 577 CB TYR A 43 -0.320 2.440 1.495 1.00 0.00 C ATOM 578 CG TYR A 43 0.260 3.462 0.521 1.00 0.00 C ATOM 579 CD1 TYR A 43 -0.146 3.526 -0.830 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.377 4.211 0.927 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.530 4.362 -1.739 1.00 0.00 C ATOM 582 CE2 TYR A 43 1.986 5.114 0.046 1.00 0.00 C ATOM 583 CZ TYR A 43 1.493 5.259 -1.257 1.00 0.00 C ATOM 584 OH TYR A 43 1.957 6.258 -2.053 1.00 0.00 O ATOM 0 H TYR A 43 -1.447 0.630 2.709 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.850 1.039 -0.107 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.285 2.805 1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.335 2.378 2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.981 2.930 -1.168 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.769 4.090 1.926 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.309 4.313 -2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.835 5.698 0.371 1.00 0.00 H new ATOM 0 HH TYR A 43 2.697 6.717 -1.604 1.00 0.00 H new ATOM 593 N CYS A 44 1.683 0.588 0.098 1.00 0.00 N ATOM 594 CA CYS A 44 3.031 0.154 0.085 1.00 0.00 C ATOM 595 C CYS A 44 3.882 1.246 -0.552 1.00 0.00 C ATOM 596 O CYS A 44 3.355 2.081 -1.292 1.00 0.00 O ATOM 597 CB CYS A 44 3.010 -1.104 -0.727 1.00 0.00 C ATOM 598 SG CYS A 44 1.928 -2.396 -0.080 1.00 0.00 S ATOM 0 H CYS A 44 1.416 1.078 -0.756 1.00 0.00 H new ATOM 0 HA CYS A 44 3.454 -0.036 1.072 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.697 -0.861 -1.742 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.025 -1.496 -0.792 1.00 0.00 H new ATOM 602 N PHE A 45 5.189 1.213 -0.285 1.00 0.00 N ATOM 603 CA PHE A 45 6.214 2.027 -0.899 1.00 0.00 C ATOM 604 C PHE A 45 7.299 1.069 -1.365 1.00 0.00 C ATOM 605 O PHE A 45 7.693 0.219 -0.577 1.00 0.00 O ATOM 606 CB PHE A 45 6.847 2.952 0.138 1.00 0.00 C ATOM 607 CG PHE A 45 5.982 4.061 0.703 1.00 0.00 C ATOM 608 CD1 PHE A 45 4.963 3.752 1.618 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.335 5.406 0.490 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.363 4.763 2.382 1.00 0.00 C ATOM 611 CE2 PHE A 45 5.659 6.429 1.175 1.00 0.00 C ATOM 612 CZ PHE A 45 4.688 6.105 2.139 1.00 0.00 C ATOM 0 H PHE A 45 5.573 0.574 0.411 1.00 0.00 H new ATOM 0 HA PHE A 45 5.789 2.622 -1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.194 2.339 0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.729 3.408 -0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.639 2.728 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.127 5.652 -0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.653 4.509 3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.885 7.463 0.962 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.193 6.889 2.692 1.00 0.00 H new ATOM 621 N GLY A 46 7.790 1.198 -2.594 1.00 0.00 N ATOM 622 CA GLY A 46 8.801 0.333 -3.186 1.00 0.00 C ATOM 623 C GLY A 46 8.217 -0.958 -3.771 1.00 0.00 C ATOM 624 O GLY A 46 8.836 -2.010 -3.671 1.00 0.00 O ATOM 0 H GLY A 46 7.482 1.936 -3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.322 0.878 -3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.543 0.079 -2.429 1.00 0.00 H new ATOM 628 N LEU A 47 7.026 -0.905 -4.378 1.00 0.00 N ATOM 629 CA LEU A 47 6.345 -2.051 -4.930 1.00 0.00 C ATOM 630 C LEU A 47 7.143 -2.574 -6.107 1.00 0.00 C ATOM 631 O LEU A 47 7.172 -1.913 -7.146 1.00 0.00 O ATOM 632 CB LEU A 47 4.947 -1.641 -5.399 1.00 0.00 C ATOM 633 CG LEU A 47 4.108 -1.063 -4.259 1.00 0.00 C ATOM 634 CD1 LEU A 47 4.568 0.219 -3.650 1.00 0.00 C ATOM 635 CD2 LEU A 47 2.647 -0.903 -4.665 1.00 0.00 C ATOM 0 H LEU A 47 6.507 -0.035 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 47 6.253 -2.828 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.034 -0.902 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.438 -2.507 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 47 4.238 -1.817 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.881 0.512 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.567 0.087 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.592 0.996 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.081 -0.490 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.578 -0.229 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.236 -1.875 -4.936 1.00 0.00 H new ATOM 646 N ASP A 48 7.779 -3.727 -5.894 1.00 0.00 N ATOM 647 CA ASP A 48 8.487 -4.569 -6.867 1.00 0.00 C ATOM 648 C ASP A 48 8.409 -3.996 -8.288 1.00 0.00 C ATOM 649 O ASP A 48 9.268 -3.219 -8.714 1.00 0.00 O ATOM 650 CB ASP A 48 7.879 -5.974 -6.765 1.00 0.00 C ATOM 651 CG ASP A 48 8.223 -6.872 -7.936 1.00 0.00 C ATOM 652 OD1 ASP A 48 9.411 -7.217 -8.082 1.00 0.00 O ATOM 653 OD2 ASP A 48 7.256 -7.189 -8.667 1.00 0.00 O ATOM 0 H ASP A 48 7.817 -4.132 -4.959 1.00 0.00 H new ATOM 0 HA ASP A 48 9.553 -4.605 -6.641 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.224 -6.444 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.795 -5.887 -6.691 1.00 0.00 H new ATOM 657 N ASP A 49 7.324 -4.319 -8.990 1.00 0.00 N ATOM 658 CA ASP A 49 6.797 -3.557 -10.103 1.00 0.00 C ATOM 659 C ASP A 49 5.315 -3.277 -9.866 1.00 0.00 C ATOM 660 O ASP A 49 4.755 -3.662 -8.837 1.00 0.00 O ATOM 661 CB ASP A 49 7.022 -4.353 -11.389 1.00 0.00 C ATOM 662 CG ASP A 49 7.279 -3.407 -12.543 1.00 0.00 C ATOM 663 OD1 ASP A 49 6.315 -2.724 -12.944 1.00 0.00 O ATOM 664 OD2 ASP A 49 8.470 -3.288 -12.903 1.00 0.00 O ATOM 0 H ASP A 49 6.772 -5.152 -8.785 1.00 0.00 H new ATOM 0 HA ASP A 49 7.307 -2.598 -10.195 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.869 -5.028 -11.266 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.150 -4.971 -11.602 1.00 0.00 H new ATOM 668 N ASP A 50 4.640 -2.674 -10.844 1.00 0.00 N ATOM 669 CA ASP A 50 3.194 -2.499 -10.830 1.00 0.00 C ATOM 670 C ASP A 50 2.533 -3.787 -11.317 1.00 0.00 C ATOM 671 O ASP A 50 1.889 -3.881 -12.360 1.00 0.00 O ATOM 672 CB ASP A 50 2.813 -1.368 -11.750 1.00 0.00 C ATOM 673 CG ASP A 50 1.362 -0.942 -11.570 1.00 0.00 C ATOM 674 OD1 ASP A 50 0.613 -1.640 -10.849 1.00 0.00 O ATOM 675 OD2 ASP A 50 1.075 0.204 -11.985 1.00 0.00 O ATOM 0 H ASP A 50 5.089 -2.290 -11.675 1.00 0.00 H new ATOM 0 HA ASP A 50 2.863 -2.269 -9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.466 -0.515 -11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.974 -1.673 -12.784 1.00 0.00 H new ATOM 679 N LYS A 51 2.763 -4.812 -10.524 1.00 0.00 N ATOM 680 CA LYS A 51 2.249 -6.151 -10.775 1.00 0.00 C ATOM 681 C LYS A 51 0.724 -6.120 -10.936 1.00 0.00 C ATOM 682 O LYS A 51 0.194 -6.849 -11.768 1.00 0.00 O ATOM 683 CB LYS A 51 2.765 -7.163 -9.740 1.00 0.00 C ATOM 684 CG LYS A 51 2.640 -6.705 -8.279 1.00 0.00 C ATOM 685 CD LYS A 51 4.011 -6.561 -7.596 1.00 0.00 C ATOM 686 CE LYS A 51 4.582 -7.893 -7.078 1.00 0.00 C ATOM 687 NZ LYS A 51 5.196 -8.702 -8.149 1.00 0.00 N ATOM 0 H LYS A 51 3.320 -4.742 -9.673 1.00 0.00 H new ATOM 0 HA LYS A 51 2.641 -6.512 -11.726 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.218 -8.098 -9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.813 -7.377 -9.951 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.116 -5.750 -8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.034 -7.422 -7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.716 -6.123 -8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.921 -5.865 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.327 -7.690 -6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.785 -8.467 -6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.739 -9.482 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.451 -9.091 -8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.832 -8.104 -8.715 1.00 0.00 H new ATOM 697 N ALA A 52 0.051 -5.248 -10.172 1.00 0.00 N ATOM 698 CA ALA A 52 -1.316 -4.789 -10.365 1.00 0.00 C ATOM 699 C ALA A 52 -1.712 -3.930 -9.162 1.00 0.00 C ATOM 700 O ALA A 52 -2.459 -4.401 -8.305 1.00 0.00 O ATOM 701 CB ALA A 52 -2.270 -5.980 -10.493 1.00 0.00 C ATOM 0 H ALA A 52 0.482 -4.822 -9.352 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.380 -4.204 -11.283 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.288 -5.617 -10.637 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.978 -6.590 -11.348 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.224 -6.582 -9.585 1.00 0.00 H new ATOM 707 N VAL A 53 -1.207 -2.695 -9.047 1.00 0.00 N ATOM 708 CA VAL A 53 -1.663 -1.858 -7.939 1.00 0.00 C ATOM 709 C VAL A 53 -3.088 -1.368 -8.178 1.00 0.00 C ATOM 710 O VAL A 53 -3.591 -1.404 -9.301 1.00 0.00 O ATOM 711 CB VAL A 53 -0.731 -0.673 -7.644 1.00 0.00 C ATOM 712 CG1 VAL A 53 0.715 -1.142 -7.504 1.00 0.00 C ATOM 713 CG2 VAL A 53 -0.874 0.491 -8.630 1.00 0.00 C ATOM 0 H VAL A 53 -0.520 -2.273 -9.672 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.644 -2.494 -7.054 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.049 -0.262 -6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.357 -0.286 -7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.788 -1.858 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.035 -1.618 -8.431 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.183 1.288 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.645 0.144 -9.638 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.896 0.870 -8.600 1.00 0.00 H new ATOM 723 N LEU A 54 -3.713 -0.841 -7.125 1.00 0.00 N ATOM 724 CA LEU A 54 -5.003 -0.178 -7.224 1.00 0.00 C ATOM 725 C LEU A 54 -4.887 1.331 -7.362 1.00 0.00 C ATOM 726 O LEU A 54 -3.853 1.966 -7.148 1.00 0.00 O ATOM 727 CB LEU A 54 -5.903 -0.547 -6.043 1.00 0.00 C ATOM 728 CG LEU A 54 -6.895 -1.656 -6.431 1.00 0.00 C ATOM 729 CD1 LEU A 54 -6.211 -2.875 -7.066 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.718 -2.031 -5.195 1.00 0.00 C ATOM 0 H LEU A 54 -3.333 -0.865 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.464 -0.541 -8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.291 -0.879 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.450 0.335 -5.709 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.559 -1.275 -7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.962 -3.623 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.687 -2.568 -7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.498 -3.301 -6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.427 -2.817 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.052 -2.388 -4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.261 -1.155 -4.840 1.00 0.00 H new ATOM 741 N LYS A 55 -6.037 1.880 -7.732 1.00 0.00 N ATOM 742 CA LYS A 55 -6.207 3.235 -8.216 1.00 0.00 C ATOM 743 C LYS A 55 -6.362 4.202 -7.047 1.00 0.00 C ATOM 744 O LYS A 55 -7.451 4.702 -6.766 1.00 0.00 O ATOM 745 CB LYS A 55 -7.325 3.303 -9.274 1.00 0.00 C ATOM 746 CG LYS A 55 -8.725 2.858 -8.811 1.00 0.00 C ATOM 747 CD LYS A 55 -9.663 2.598 -10.000 1.00 0.00 C ATOM 748 CE LYS A 55 -9.873 3.853 -10.866 1.00 0.00 C ATOM 749 NZ LYS A 55 -10.843 3.621 -11.958 1.00 0.00 N ATOM 0 H LYS A 55 -6.916 1.364 -7.699 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.308 3.560 -8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.393 4.329 -9.635 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.032 2.685 -10.123 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.639 1.952 -8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.157 3.626 -8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.251 1.799 -10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.627 2.250 -9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.224 4.671 -10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.918 4.164 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.953 4.492 -12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.497 2.858 -12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.762 3.350 -11.554 1.00 0.00 H new ATOM 759 N ILE A 56 -5.250 4.459 -6.358 1.00 0.00 N ATOM 760 CA ILE A 56 -5.183 5.539 -5.384 1.00 0.00 C ATOM 761 C ILE A 56 -5.726 6.841 -5.985 1.00 0.00 C ATOM 762 O ILE A 56 -5.384 7.216 -7.104 1.00 0.00 O ATOM 763 CB ILE A 56 -3.773 5.729 -4.786 1.00 0.00 C ATOM 764 CG1 ILE A 56 -2.608 5.525 -5.767 1.00 0.00 C ATOM 765 CG2 ILE A 56 -3.596 4.801 -3.585 1.00 0.00 C ATOM 766 CD1 ILE A 56 -1.267 5.736 -5.062 1.00 0.00 C ATOM 0 H ILE A 56 -4.384 3.930 -6.460 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.821 5.253 -4.548 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.725 6.778 -4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.650 4.520 -6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.701 6.222 -6.600 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.600 4.937 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.345 5.038 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.717 3.766 -3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.455 5.587 -5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.220 6.750 -4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.169 5.021 -4.245 1.00 0.00 H new ATOM 777 N LYS A 57 -6.593 7.514 -5.226 1.00 0.00 N ATOM 778 CA LYS A 57 -7.163 8.797 -5.589 1.00 0.00 C ATOM 779 C LYS A 57 -6.086 9.846 -5.326 1.00 0.00 C ATOM 780 O LYS A 57 -5.295 9.663 -4.403 1.00 0.00 O ATOM 781 CB LYS A 57 -8.392 9.109 -4.720 1.00 0.00 C ATOM 782 CG LYS A 57 -9.388 7.947 -4.484 1.00 0.00 C ATOM 783 CD LYS A 57 -9.571 7.545 -2.999 1.00 0.00 C ATOM 784 CE LYS A 57 -8.807 6.263 -2.607 1.00 0.00 C ATOM 785 NZ LYS A 57 -8.544 6.153 -1.151 1.00 0.00 N ATOM 0 H LYS A 57 -6.920 7.168 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.479 8.791 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.042 9.460 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.935 9.934 -5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.358 8.229 -4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.048 7.075 -5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.236 8.366 -2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.633 7.401 -2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.380 5.394 -2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.858 6.237 -3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.915 5.345 -0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.091 7.026 -0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.442 6.011 -0.646 1.00 0.00 H new ATOM 795 N ASP A 58 -6.073 10.959 -6.059 1.00 0.00 N ATOM 796 CA ASP A 58 -4.990 11.932 -5.918 1.00 0.00 C ATOM 797 C ASP A 58 -4.898 12.411 -4.475 1.00 0.00 C ATOM 798 O ASP A 58 -3.873 12.306 -3.810 1.00 0.00 O ATOM 799 CB ASP A 58 -5.166 13.132 -6.847 1.00 0.00 C ATOM 800 CG ASP A 58 -3.831 13.861 -6.941 1.00 0.00 C ATOM 801 OD1 ASP A 58 -3.470 14.588 -5.989 1.00 0.00 O ATOM 802 OD2 ASP A 58 -3.071 13.598 -7.897 1.00 0.00 O ATOM 0 H ASP A 58 -6.786 11.207 -6.745 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.066 11.427 -6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.490 12.804 -7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.938 13.800 -6.464 1.00 0.00 H new ATOM 806 N ALA A 59 -6.040 12.861 -3.966 1.00 0.00 N ATOM 807 CA ALA A 59 -6.174 13.245 -2.571 1.00 0.00 C ATOM 808 C ALA A 59 -5.667 12.155 -1.621 1.00 0.00 C ATOM 809 O ALA A 59 -5.026 12.473 -0.622 1.00 0.00 O ATOM 810 CB ALA A 59 -7.631 13.607 -2.270 1.00 0.00 C ATOM 0 H ALA A 59 -6.896 12.969 -4.510 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.548 14.121 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.726 13.894 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.937 14.439 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.269 12.746 -2.469 1.00 0.00 H new ATOM 816 N THR A 60 -5.919 10.872 -1.918 1.00 0.00 N ATOM 817 CA THR A 60 -5.437 9.802 -1.062 1.00 0.00 C ATOM 818 C THR A 60 -3.918 9.692 -1.198 1.00 0.00 C ATOM 819 O THR A 60 -3.253 9.462 -0.199 1.00 0.00 O ATOM 820 CB THR A 60 -6.184 8.483 -1.347 1.00 0.00 C ATOM 821 OG1 THR A 60 -6.789 7.949 -0.182 1.00 0.00 O ATOM 822 CG2 THR A 60 -5.303 7.401 -1.963 1.00 0.00 C ATOM 0 H THR A 60 -6.447 10.563 -2.734 1.00 0.00 H new ATOM 0 HA THR A 60 -5.651 10.032 -0.018 1.00 0.00 H new ATOM 0 HB THR A 60 -6.948 8.761 -2.073 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.561 8.499 0.067 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.896 6.503 -2.135 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.899 7.757 -2.911 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.483 7.169 -1.284 1.00 0.00 H new ATOM 830 N LYS A 61 -3.365 9.847 -2.404 1.00 0.00 N ATOM 831 CA LYS A 61 -1.925 9.873 -2.640 1.00 0.00 C ATOM 832 C LYS A 61 -1.321 10.918 -1.728 1.00 0.00 C ATOM 833 O LYS A 61 -0.498 10.628 -0.872 1.00 0.00 O ATOM 834 CB LYS A 61 -1.649 10.139 -4.135 1.00 0.00 C ATOM 835 CG LYS A 61 -0.536 11.114 -4.591 1.00 0.00 C ATOM 836 CD LYS A 61 -1.168 12.359 -5.236 1.00 0.00 C ATOM 837 CE LYS A 61 -0.199 13.337 -5.905 1.00 0.00 C ATOM 838 NZ LYS A 61 -0.963 14.380 -6.628 1.00 0.00 N ATOM 0 H LYS A 61 -3.916 9.959 -3.255 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.461 8.914 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.433 9.174 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.582 10.497 -4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.077 11.406 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.124 10.619 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.892 12.029 -5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.724 12.898 -4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.444 13.798 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.451 12.803 -6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.311 15.116 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.453 13.952 -7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.662 14.805 -5.987 1.00 0.00 H new ATOM 848 N SER A 62 -1.771 12.147 -1.913 1.00 0.00 N ATOM 849 CA SER A 62 -1.259 13.275 -1.148 1.00 0.00 C ATOM 850 C SER A 62 -1.354 13.007 0.360 1.00 0.00 C ATOM 851 O SER A 62 -0.398 13.252 1.093 1.00 0.00 O ATOM 852 CB SER A 62 -1.989 14.563 -1.553 1.00 0.00 C ATOM 853 OG SER A 62 -1.253 15.700 -1.149 1.00 0.00 O ATOM 0 H SER A 62 -2.494 12.392 -2.590 1.00 0.00 H new ATOM 0 HA SER A 62 -0.202 13.406 -1.378 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.133 14.581 -2.633 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.980 14.584 -1.099 1.00 0.00 H new ATOM 0 HG SER A 62 -1.732 16.512 -1.417 1.00 0.00 H new ATOM 858 N TYR A 63 -2.495 12.489 0.822 1.00 0.00 N ATOM 859 CA TYR A 63 -2.690 12.115 2.217 1.00 0.00 C ATOM 860 C TYR A 63 -1.690 11.043 2.650 1.00 0.00 C ATOM 861 O TYR A 63 -1.167 11.094 3.761 1.00 0.00 O ATOM 862 CB TYR A 63 -4.119 11.588 2.397 1.00 0.00 C ATOM 863 CG TYR A 63 -4.495 11.131 3.799 1.00 0.00 C ATOM 864 CD1 TYR A 63 -4.083 11.861 4.932 1.00 0.00 C ATOM 865 CD2 TYR A 63 -5.233 9.943 3.971 1.00 0.00 C ATOM 866 CE1 TYR A 63 -4.334 11.363 6.223 1.00 0.00 C ATOM 867 CE2 TYR A 63 -5.468 9.438 5.261 1.00 0.00 C ATOM 868 CZ TYR A 63 -5.012 10.143 6.386 1.00 0.00 C ATOM 869 OH TYR A 63 -5.245 9.645 7.630 1.00 0.00 O ATOM 0 H TYR A 63 -3.310 12.318 0.233 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.529 12.996 2.839 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.814 12.371 2.094 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.264 10.751 1.713 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.573 12.805 4.808 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.619 9.419 3.109 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.006 11.918 7.089 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.000 8.507 5.387 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.726 8.794 7.557 1.00 0.00 H new ATOM 878 N CYS A 64 -1.495 10.040 1.795 1.00 0.00 N ATOM 879 CA CYS A 64 -0.843 8.777 2.116 1.00 0.00 C ATOM 880 C CYS A 64 0.441 8.532 1.328 1.00 0.00 C ATOM 881 O CYS A 64 0.778 7.370 1.137 1.00 0.00 O ATOM 882 CB CYS A 64 -1.808 7.601 1.880 1.00 0.00 C ATOM 883 SG CYS A 64 -3.258 7.454 2.936 1.00 0.00 S ATOM 0 H CYS A 64 -1.800 10.090 0.823 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.567 8.845 3.168 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.154 7.658 0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.235 6.678 1.973 1.00 0.00 H new ATOM 887 N ASP A 65 1.189 9.554 0.907 1.00 0.00 N ATOM 888 CA ASP A 65 2.502 9.361 0.283 1.00 0.00 C ATOM 889 C ASP A 65 3.600 10.014 1.124 1.00 0.00 C ATOM 890 O ASP A 65 4.408 9.329 1.750 1.00 0.00 O ATOM 891 CB ASP A 65 2.483 9.877 -1.158 1.00 0.00 C ATOM 892 CG ASP A 65 3.827 9.611 -1.827 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.988 8.506 -2.392 1.00 0.00 O ATOM 894 OD2 ASP A 65 4.675 10.524 -1.744 1.00 0.00 O ATOM 0 H ASP A 65 0.906 10.531 0.987 1.00 0.00 H new ATOM 0 HA ASP A 65 2.728 8.295 0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.686 9.387 -1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.268 10.946 -1.167 1.00 0.00 H new ATOM 898 N VAL A 66 3.589 11.347 1.190 1.00 0.00 N ATOM 899 CA VAL A 66 4.620 12.154 1.843 1.00 0.00 C ATOM 900 C VAL A 66 4.887 11.711 3.290 1.00 0.00 C ATOM 901 O VAL A 66 6.008 11.831 3.777 1.00 0.00 O ATOM 902 CB VAL A 66 4.231 13.644 1.756 1.00 0.00 C ATOM 903 CG1 VAL A 66 5.262 14.548 2.450 1.00 0.00 C ATOM 904 CG2 VAL A 66 4.108 14.096 0.292 1.00 0.00 C ATOM 0 H VAL A 66 2.843 11.909 0.780 1.00 0.00 H new ATOM 0 HA VAL A 66 5.562 12.002 1.315 1.00 0.00 H new ATOM 0 HB VAL A 66 3.270 13.739 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.949 15.589 2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.334 14.276 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.235 14.422 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.833 15.150 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.063 13.954 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.341 13.505 -0.208 1.00 0.00 H new ATOM 914 N GLN A 67 3.854 11.188 3.954 1.00 0.00 N ATOM 915 CA GLN A 67 3.808 10.640 5.299 1.00 0.00 C ATOM 916 C GLN A 67 5.156 10.157 5.831 1.00 0.00 C ATOM 917 O GLN A 67 5.641 10.638 6.852 1.00 0.00 O ATOM 918 CB GLN A 67 2.824 9.469 5.230 1.00 0.00 C ATOM 919 CG GLN A 67 1.369 9.943 5.242 1.00 0.00 C ATOM 920 CD GLN A 67 0.880 10.461 6.544 1.00 0.00 C ATOM 921 OE1 GLN A 67 1.486 10.347 7.603 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.321 10.977 6.419 1.00 0.00 N ATOM 0 H GLN A 67 2.937 11.136 3.511 1.00 0.00 H new ATOM 0 HA GLN A 67 3.505 11.424 5.993 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.010 8.892 4.324 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.995 8.801 6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.253 10.725 4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.731 9.113 4.938 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.757 11.036 5.499 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.817 11.319 7.242 1.00 0.00 H new ATOM 929 N ILE A 68 5.739 9.163 5.162 1.00 0.00 N ATOM 930 CA ILE A 68 6.915 8.472 5.654 1.00 0.00 C ATOM 931 C ILE A 68 8.153 9.381 5.635 1.00 0.00 C ATOM 932 O ILE A 68 9.084 9.170 6.410 1.00 0.00 O ATOM 933 CB ILE A 68 7.073 7.180 4.847 1.00 0.00 C ATOM 934 CG1 ILE A 68 5.894 6.222 5.094 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.398 6.479 5.129 1.00 0.00 C ATOM 936 CD1 ILE A 68 5.699 5.672 6.514 1.00 0.00 C ATOM 0 H ILE A 68 5.403 8.819 4.263 1.00 0.00 H new ATOM 0 HA ILE A 68 6.798 8.203 6.704 1.00 0.00 H new ATOM 0 HB ILE A 68 7.074 7.467 3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.978 6.738 4.807 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.006 5.373 4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.462 5.569 4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.223 7.142 4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.457 6.225 6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.831 5.013 6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.586 5.113 6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.542 6.499 7.206 1.00 0.00 H new ATOM 947 N ILE A 69 8.187 10.401 4.771 1.00 0.00 N ATOM 948 CA ILE A 69 9.313 11.320 4.703 1.00 0.00 C ATOM 949 C ILE A 69 9.372 12.102 6.019 1.00 0.00 C ATOM 950 O ILE A 69 8.962 13.258 6.102 1.00 0.00 O ATOM 951 CB ILE A 69 9.219 12.220 3.449 1.00 0.00 C ATOM 952 CG1 ILE A 69 9.007 11.366 2.183 1.00 0.00 C ATOM 953 CG2 ILE A 69 10.497 13.062 3.309 1.00 0.00 C ATOM 954 CD1 ILE A 69 8.886 12.201 0.904 1.00 0.00 C ATOM 0 H ILE A 69 7.440 10.606 4.108 1.00 0.00 H new ATOM 0 HA ILE A 69 10.251 10.777 4.591 1.00 0.00 H new ATOM 0 HB ILE A 69 8.364 12.886 3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 69 9.840 10.671 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.105 10.766 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.422 13.693 2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.618 13.689 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.359 12.402 3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.738 11.540 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.036 12.878 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.798 12.781 0.760 1.00 0.00 H new