USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 547 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 32:sc= 0.948 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.112 K(o=-0.11,f=-0.65) USER MOD Single : A 9 LYS NZ :NH3+ -119:sc= -0.45 (180deg=-2.02) USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= -2.89! (180deg=-3!) USER MOD Single : A 15 THR OG1 : rot 137:sc= 0.991 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.00929 K(o=-0.0093,f=-2.7!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.468 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -2.59! C(o=-2.6!,f=-2.6!) USER MOD Single : A 49 HIS : no HE2:sc= -2.15! C(o=-2.2!,f=-5.1!) USER MOD Single : A 53 GLN : amide:sc= -0.0555 X(o=-0.055,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.141 USER MOD Single : A 66 HIS : no HE2:sc= -4.41! K(o=-4.4!,f=-5.1) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0434 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.676 -15.575 20.900 1.00 0.00 N ATOM 2 CA GLY A 1 13.085 -16.483 19.845 1.00 0.00 C ATOM 3 C GLY A 1 12.416 -16.171 18.521 1.00 0.00 C ATOM 4 O GLY A 1 11.197 -16.018 18.454 1.00 0.00 O ATOM 0 H1 GLY A 1 13.160 -15.830 21.784 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.927 -14.601 20.636 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.647 -15.643 21.037 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.167 -16.430 19.723 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.847 -17.506 20.137 1.00 0.00 H new ATOM 8 N SER A 2 13.216 -16.074 17.463 1.00 0.00 N ATOM 9 CA SER A 2 12.695 -15.773 16.136 1.00 0.00 C ATOM 10 C SER A 2 13.768 -15.981 15.071 1.00 0.00 C ATOM 11 O SER A 2 14.955 -16.073 15.380 1.00 0.00 O ATOM 12 CB SER A 2 12.178 -14.334 16.082 1.00 0.00 C ATOM 13 OG SER A 2 13.249 -13.407 16.096 1.00 0.00 O ATOM 0 H SER A 2 14.228 -16.200 17.500 1.00 0.00 H new ATOM 0 HA SER A 2 11.870 -16.455 15.933 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.582 -14.192 15.181 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.521 -14.148 16.932 1.00 0.00 H new ATOM 0 HG SER A 2 12.893 -12.495 16.059 1.00 0.00 H new ATOM 19 N SER A 3 13.340 -16.052 13.814 1.00 0.00 N ATOM 20 CA SER A 3 14.262 -16.253 12.703 1.00 0.00 C ATOM 21 C SER A 3 13.557 -16.045 11.367 1.00 0.00 C ATOM 22 O SER A 3 12.711 -16.845 10.967 1.00 0.00 O ATOM 23 CB SER A 3 14.866 -17.657 12.760 1.00 0.00 C ATOM 24 OG SER A 3 13.869 -18.648 12.589 1.00 0.00 O ATOM 0 H SER A 3 12.361 -15.973 13.540 1.00 0.00 H new ATOM 0 HA SER A 3 15.062 -15.518 12.791 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.624 -17.762 11.984 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.367 -17.802 13.717 1.00 0.00 H new ATOM 0 HG SER A 3 13.169 -18.308 11.993 1.00 0.00 H new ATOM 30 N GLY A 4 13.909 -14.963 10.679 1.00 0.00 N ATOM 31 CA GLY A 4 13.301 -14.668 9.395 1.00 0.00 C ATOM 32 C GLY A 4 14.089 -15.241 8.234 1.00 0.00 C ATOM 33 O GLY A 4 15.319 -15.276 8.267 1.00 0.00 O ATOM 0 H GLY A 4 14.605 -14.285 10.989 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.288 -15.070 9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.218 -13.588 9.276 1.00 0.00 H new ATOM 37 N SER A 5 13.380 -15.693 7.205 1.00 0.00 N ATOM 38 CA SER A 5 14.021 -16.274 6.031 1.00 0.00 C ATOM 39 C SER A 5 13.888 -15.347 4.826 1.00 0.00 C ATOM 40 O SER A 5 14.886 -14.911 4.253 1.00 0.00 O ATOM 41 CB SER A 5 13.405 -17.638 5.710 1.00 0.00 C ATOM 42 OG SER A 5 13.876 -18.128 4.466 1.00 0.00 O ATOM 0 H SER A 5 12.361 -15.668 7.160 1.00 0.00 H new ATOM 0 HA SER A 5 15.080 -16.405 6.252 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.650 -18.347 6.501 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.319 -17.553 5.684 1.00 0.00 H new ATOM 0 HG SER A 5 13.470 -19.001 4.283 1.00 0.00 H new ATOM 48 N SER A 6 12.650 -15.050 4.450 1.00 0.00 N ATOM 49 CA SER A 6 12.385 -14.178 3.311 1.00 0.00 C ATOM 50 C SER A 6 12.556 -12.712 3.698 1.00 0.00 C ATOM 51 O SER A 6 12.397 -11.818 2.870 1.00 0.00 O ATOM 52 CB SER A 6 10.970 -14.415 2.778 1.00 0.00 C ATOM 53 OG SER A 6 9.996 -14.090 3.754 1.00 0.00 O ATOM 0 H SER A 6 11.813 -15.400 4.917 1.00 0.00 H new ATOM 0 HA SER A 6 13.105 -14.416 2.528 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.809 -13.812 1.884 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.859 -15.458 2.483 1.00 0.00 H new ATOM 0 HG SER A 6 9.101 -14.248 3.388 1.00 0.00 H new ATOM 59 N GLY A 7 12.882 -12.475 4.966 1.00 0.00 N ATOM 60 CA GLY A 7 13.070 -11.118 5.441 1.00 0.00 C ATOM 61 C GLY A 7 11.980 -10.685 6.402 1.00 0.00 C ATOM 62 O GLY A 7 11.940 -11.131 7.548 1.00 0.00 O ATOM 0 H GLY A 7 13.019 -13.199 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.038 -11.040 5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.091 -10.438 4.590 1.00 0.00 H new ATOM 66 N ASN A 8 11.094 -9.811 5.935 1.00 0.00 N ATOM 67 CA ASN A 8 10.000 -9.315 6.763 1.00 0.00 C ATOM 68 C ASN A 8 8.663 -9.465 6.043 1.00 0.00 C ATOM 69 O ASN A 8 8.565 -9.235 4.837 1.00 0.00 O ATOM 70 CB ASN A 8 10.234 -7.848 7.127 1.00 0.00 C ATOM 71 CG ASN A 8 11.638 -7.596 7.642 1.00 0.00 C ATOM 72 OD1 ASN A 8 12.203 -8.419 8.364 1.00 0.00 O ATOM 73 ND2 ASN A 8 12.207 -6.455 7.274 1.00 0.00 N ATOM 0 H ASN A 8 11.112 -9.432 4.988 1.00 0.00 H new ATOM 0 HA ASN A 8 9.970 -9.909 7.677 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.055 -7.226 6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.512 -7.545 7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.150 -6.230 7.590 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.701 -5.803 6.675 1.00 0.00 H new ATOM 80 N LYS A 9 7.636 -9.851 6.791 1.00 0.00 N ATOM 81 CA LYS A 9 6.302 -10.031 6.226 1.00 0.00 C ATOM 82 C LYS A 9 5.824 -8.753 5.544 1.00 0.00 C ATOM 83 O LYS A 9 5.791 -7.686 6.156 1.00 0.00 O ATOM 84 CB LYS A 9 5.313 -10.438 7.321 1.00 0.00 C ATOM 85 CG LYS A 9 4.107 -11.199 6.799 1.00 0.00 C ATOM 86 CD LYS A 9 2.999 -10.255 6.363 1.00 0.00 C ATOM 87 CE LYS A 9 2.157 -9.800 7.545 1.00 0.00 C ATOM 88 NZ LYS A 9 0.785 -9.400 7.127 1.00 0.00 N ATOM 0 H LYS A 9 7.700 -10.046 7.790 1.00 0.00 H new ATOM 0 HA LYS A 9 6.354 -10.823 5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.831 -11.054 8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.970 -9.543 7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.406 -11.824 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.733 -11.867 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.433 -9.386 5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.362 -10.753 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.093 -10.605 8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.646 -8.960 8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.628 -8.400 7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.682 -9.533 6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.085 -9.987 7.624 1.00 0.00 H new ATOM 102 N VAL A 10 5.453 -8.870 4.273 1.00 0.00 N ATOM 103 CA VAL A 10 4.974 -7.725 3.508 1.00 0.00 C ATOM 104 C VAL A 10 3.468 -7.802 3.289 1.00 0.00 C ATOM 105 O VAL A 10 2.898 -8.890 3.202 1.00 0.00 O ATOM 106 CB VAL A 10 5.677 -7.630 2.141 1.00 0.00 C ATOM 107 CG1 VAL A 10 7.173 -7.854 2.292 1.00 0.00 C ATOM 108 CG2 VAL A 10 5.076 -8.629 1.163 1.00 0.00 C ATOM 0 H VAL A 10 5.475 -9.746 3.751 1.00 0.00 H new ATOM 0 HA VAL A 10 5.208 -6.834 4.091 1.00 0.00 H new ATOM 0 HB VAL A 10 5.523 -6.627 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.652 -7.783 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.589 -7.096 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.352 -8.843 2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.584 -8.548 0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.197 -9.639 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.015 -8.416 1.031 1.00 0.00 H new ATOM 118 N ARG A 11 2.828 -6.641 3.200 1.00 0.00 N ATOM 119 CA ARG A 11 1.387 -6.577 2.991 1.00 0.00 C ATOM 120 C ARG A 11 1.059 -5.915 1.656 1.00 0.00 C ATOM 121 O ARG A 11 1.629 -4.881 1.308 1.00 0.00 O ATOM 122 CB ARG A 11 0.719 -5.805 4.132 1.00 0.00 C ATOM 123 CG ARG A 11 0.269 -6.689 5.284 1.00 0.00 C ATOM 124 CD ARG A 11 -0.958 -6.119 5.977 1.00 0.00 C ATOM 125 NE ARG A 11 -1.305 -6.869 7.181 1.00 0.00 N ATOM 126 CZ ARG A 11 -1.965 -8.021 7.164 1.00 0.00 C ATOM 127 NH1 ARG A 11 -2.348 -8.553 6.012 1.00 0.00 N ATOM 128 NH2 ARG A 11 -2.244 -8.645 8.302 1.00 0.00 N ATOM 0 H ARG A 11 3.285 -5.732 3.269 1.00 0.00 H new ATOM 0 HA ARG A 11 1.002 -7.597 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.416 -5.057 4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.144 -5.267 3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.046 -7.689 4.911 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.081 -6.791 6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.775 -5.077 6.239 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.802 -6.130 5.287 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.025 -6.487 8.084 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.136 -8.077 5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.855 -9.438 6.002 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.951 -8.240 9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.751 -9.530 8.287 1.00 0.00 H new ATOM 142 N ARG A 12 0.138 -6.520 0.912 1.00 0.00 N ATOM 143 CA ARG A 12 -0.263 -5.990 -0.386 1.00 0.00 C ATOM 144 C ARG A 12 -1.696 -5.469 -0.340 1.00 0.00 C ATOM 145 O ARG A 12 -2.612 -6.173 0.088 1.00 0.00 O ATOM 146 CB ARG A 12 -0.137 -7.071 -1.462 1.00 0.00 C ATOM 147 CG ARG A 12 1.227 -7.105 -2.133 1.00 0.00 C ATOM 148 CD ARG A 12 1.177 -7.852 -3.456 1.00 0.00 C ATOM 149 NE ARG A 12 2.430 -7.735 -4.197 1.00 0.00 N ATOM 150 CZ ARG A 12 2.536 -7.962 -5.502 1.00 0.00 C ATOM 151 NH1 ARG A 12 1.469 -8.315 -6.206 1.00 0.00 N ATOM 152 NH2 ARG A 12 3.711 -7.834 -6.106 1.00 0.00 N ATOM 0 H ARG A 12 -0.344 -7.376 1.186 1.00 0.00 H new ATOM 0 HA ARG A 12 0.400 -5.161 -0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.336 -8.044 -1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.902 -6.908 -2.221 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.576 -6.086 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.948 -7.584 -1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.962 -8.904 -3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.359 -7.462 -4.062 1.00 0.00 H new ATOM 0 HE ARG A 12 3.270 -7.464 -3.685 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.564 -8.413 -5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.553 -8.489 -7.208 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.534 -7.561 -5.568 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.791 -8.009 -7.108 1.00 0.00 H new ATOM 166 N VAL A 13 -1.884 -4.230 -0.784 1.00 0.00 N ATOM 167 CA VAL A 13 -3.205 -3.613 -0.794 1.00 0.00 C ATOM 168 C VAL A 13 -3.467 -2.899 -2.115 1.00 0.00 C ATOM 169 O VAL A 13 -2.577 -2.779 -2.957 1.00 0.00 O ATOM 170 CB VAL A 13 -3.364 -2.607 0.361 1.00 0.00 C ATOM 171 CG1 VAL A 13 -3.360 -3.327 1.701 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.265 -1.557 0.308 1.00 0.00 C ATOM 0 H VAL A 13 -1.138 -3.634 -1.142 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.931 -4.416 -0.668 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.323 -2.102 0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.473 -2.600 2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.186 -4.037 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.418 -3.861 1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.393 -0.854 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.293 -2.043 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.320 -1.020 -0.639 1.00 0.00 H new ATOM 182 N LYS A 14 -4.696 -2.425 -2.290 1.00 0.00 N ATOM 183 CA LYS A 14 -5.078 -1.720 -3.509 1.00 0.00 C ATOM 184 C LYS A 14 -5.925 -0.493 -3.185 1.00 0.00 C ATOM 185 O LYS A 14 -6.744 -0.517 -2.266 1.00 0.00 O ATOM 186 CB LYS A 14 -5.849 -2.654 -4.443 1.00 0.00 C ATOM 187 CG LYS A 14 -6.472 -1.947 -5.634 1.00 0.00 C ATOM 188 CD LYS A 14 -7.589 -2.769 -6.251 1.00 0.00 C ATOM 189 CE LYS A 14 -7.063 -3.705 -7.329 1.00 0.00 C ATOM 190 NZ LYS A 14 -6.081 -4.683 -6.783 1.00 0.00 N ATOM 0 H LYS A 14 -5.445 -2.516 -1.603 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.167 -1.389 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.174 -3.430 -4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.635 -3.153 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.863 -0.979 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.705 -1.753 -6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.086 -3.350 -5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.338 -2.103 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.896 -4.242 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.592 -3.121 -8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.810 -5.356 -7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.236 -4.177 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.511 -5.200 -5.989 1.00 0.00 H new ATOM 204 N THR A 15 -5.725 0.577 -3.947 1.00 0.00 N ATOM 205 CA THR A 15 -6.471 1.811 -3.742 1.00 0.00 C ATOM 206 C THR A 15 -7.872 1.714 -4.334 1.00 0.00 C ATOM 207 O THR A 15 -8.046 1.754 -5.552 1.00 0.00 O ATOM 208 CB THR A 15 -5.746 3.018 -4.369 1.00 0.00 C ATOM 209 OG1 THR A 15 -5.550 2.798 -5.769 1.00 0.00 O ATOM 210 CG2 THR A 15 -4.401 3.250 -3.694 1.00 0.00 C ATOM 0 H THR A 15 -5.052 0.614 -4.712 1.00 0.00 H new ATOM 0 HA THR A 15 -6.544 1.958 -2.664 1.00 0.00 H new ATOM 0 HB THR A 15 -6.366 3.903 -4.224 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.760 3.619 -6.262 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.907 4.107 -4.152 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.555 3.445 -2.633 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.777 2.364 -3.813 1.00 0.00 H new ATOM 218 N ILE A 16 -8.868 1.584 -3.464 1.00 0.00 N ATOM 219 CA ILE A 16 -10.255 1.481 -3.902 1.00 0.00 C ATOM 220 C ILE A 16 -10.854 2.858 -4.160 1.00 0.00 C ATOM 221 O ILE A 16 -11.908 2.982 -4.783 1.00 0.00 O ATOM 222 CB ILE A 16 -11.121 0.744 -2.863 1.00 0.00 C ATOM 223 CG1 ILE A 16 -10.795 1.239 -1.453 1.00 0.00 C ATOM 224 CG2 ILE A 16 -10.906 -0.759 -2.965 1.00 0.00 C ATOM 225 CD1 ILE A 16 -11.817 0.827 -0.417 1.00 0.00 C ATOM 0 H ILE A 16 -8.741 1.548 -2.453 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.250 0.910 -4.830 1.00 0.00 H new ATOM 0 HB ILE A 16 -12.170 0.956 -3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.817 0.857 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.721 2.326 -1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.525 -1.266 -2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -11.182 -1.099 -3.963 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.857 -0.990 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.522 1.212 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.792 1.232 -0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.875 -0.261 -0.375 1.00 0.00 H new ATOM 237 N TYR A 17 -10.173 3.893 -3.678 1.00 0.00 N ATOM 238 CA TYR A 17 -10.638 5.263 -3.856 1.00 0.00 C ATOM 239 C TYR A 17 -9.527 6.147 -4.414 1.00 0.00 C ATOM 240 O TYR A 17 -8.343 5.864 -4.232 1.00 0.00 O ATOM 241 CB TYR A 17 -11.138 5.831 -2.527 1.00 0.00 C ATOM 242 CG TYR A 17 -12.194 4.977 -1.861 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.280 4.495 -2.582 1.00 0.00 C ATOM 244 CD2 TYR A 17 -12.106 4.653 -0.513 1.00 0.00 C ATOM 245 CE1 TYR A 17 -14.247 3.716 -1.979 1.00 0.00 C ATOM 246 CE2 TYR A 17 -13.069 3.873 0.097 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.137 3.407 -0.640 1.00 0.00 C ATOM 248 OH TYR A 17 -15.098 2.630 -0.035 1.00 0.00 O ATOM 0 H TYR A 17 -9.298 3.808 -3.161 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.461 5.250 -4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.292 5.943 -1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.544 6.828 -2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.369 4.734 -3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.271 5.017 0.067 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.085 3.350 -2.553 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.986 3.629 1.146 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.870 2.505 0.910 1.00 0.00 H new ATOM 258 N ASP A 18 -9.918 7.220 -5.093 1.00 0.00 N ATOM 259 CA ASP A 18 -8.956 8.148 -5.677 1.00 0.00 C ATOM 260 C ASP A 18 -8.538 9.208 -4.662 1.00 0.00 C ATOM 261 O ASP A 18 -9.383 9.832 -4.019 1.00 0.00 O ATOM 262 CB ASP A 18 -9.550 8.818 -6.917 1.00 0.00 C ATOM 263 CG ASP A 18 -11.011 9.180 -6.736 1.00 0.00 C ATOM 264 OD1 ASP A 18 -11.442 9.345 -5.575 1.00 0.00 O ATOM 265 OD2 ASP A 18 -11.722 9.300 -7.754 1.00 0.00 O ATOM 0 H ASP A 18 -10.894 7.469 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.072 7.581 -5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.981 9.719 -7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.448 8.149 -7.772 1.00 0.00 H new ATOM 270 N CYS A 19 -7.232 9.403 -4.523 1.00 0.00 N ATOM 271 CA CYS A 19 -6.703 10.386 -3.584 1.00 0.00 C ATOM 272 C CYS A 19 -5.635 11.250 -4.247 1.00 0.00 C ATOM 273 O CYS A 19 -4.940 10.804 -5.159 1.00 0.00 O ATOM 274 CB CYS A 19 -6.118 9.687 -2.356 1.00 0.00 C ATOM 275 SG CYS A 19 -6.006 10.739 -0.891 1.00 0.00 S ATOM 0 H CYS A 19 -6.520 8.894 -5.048 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.524 11.030 -3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.731 8.818 -2.120 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.122 9.317 -2.602 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.502 10.058 0.095 1.00 0.00 H new ATOM 281 N GLN A 20 -5.513 12.491 -3.784 1.00 0.00 N ATOM 282 CA GLN A 20 -4.531 13.418 -4.335 1.00 0.00 C ATOM 283 C GLN A 20 -3.736 14.092 -3.222 1.00 0.00 C ATOM 284 O GLN A 20 -4.110 15.160 -2.738 1.00 0.00 O ATOM 285 CB GLN A 20 -5.225 14.476 -5.195 1.00 0.00 C ATOM 286 CG GLN A 20 -4.261 15.346 -5.984 1.00 0.00 C ATOM 287 CD GLN A 20 -3.858 14.720 -7.305 1.00 0.00 C ATOM 288 OE1 GLN A 20 -3.402 13.577 -7.351 1.00 0.00 O ATOM 289 NE2 GLN A 20 -4.022 15.469 -8.390 1.00 0.00 N ATOM 0 H GLN A 20 -6.081 12.877 -3.030 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.840 12.850 -4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.905 13.980 -5.888 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.833 15.113 -4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.723 16.316 -6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.369 15.528 -5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.403 16.411 -8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.766 15.102 -9.307 1.00 0.00 H new ATOM 298 N ALA A 21 -2.637 13.462 -2.821 1.00 0.00 N ATOM 299 CA ALA A 21 -1.788 14.002 -1.767 1.00 0.00 C ATOM 300 C ALA A 21 -1.201 15.350 -2.170 1.00 0.00 C ATOM 301 O ALA A 21 -0.774 15.535 -3.311 1.00 0.00 O ATOM 302 CB ALA A 21 -0.675 13.019 -1.429 1.00 0.00 C ATOM 0 H ALA A 21 -2.314 12.576 -3.211 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.405 14.154 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.049 13.436 -0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.110 12.079 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.068 12.837 -2.316 1.00 0.00 H new ATOM 308 N ASP A 22 -1.183 16.288 -1.230 1.00 0.00 N ATOM 309 CA ASP A 22 -0.648 17.620 -1.488 1.00 0.00 C ATOM 310 C ASP A 22 0.808 17.717 -1.043 1.00 0.00 C ATOM 311 O ASP A 22 1.625 18.366 -1.694 1.00 0.00 O ATOM 312 CB ASP A 22 -1.486 18.678 -0.770 1.00 0.00 C ATOM 313 CG ASP A 22 -0.906 20.071 -0.913 1.00 0.00 C ATOM 314 OD1 ASP A 22 -0.727 20.525 -2.062 1.00 0.00 O ATOM 315 OD2 ASP A 22 -0.632 20.708 0.126 1.00 0.00 O ATOM 0 H ASP A 22 -1.533 16.151 -0.282 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.693 17.800 -2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.500 18.667 -1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.558 18.424 0.288 1.00 0.00 H new ATOM 320 N ASN A 23 1.124 17.066 0.072 1.00 0.00 N ATOM 321 CA ASN A 23 2.480 17.081 0.607 1.00 0.00 C ATOM 322 C ASN A 23 3.268 15.867 0.124 1.00 0.00 C ATOM 323 O ASN A 23 2.697 14.808 -0.139 1.00 0.00 O ATOM 324 CB ASN A 23 2.448 17.107 2.136 1.00 0.00 C ATOM 325 CG ASN A 23 2.195 18.497 2.686 1.00 0.00 C ATOM 326 OD1 ASN A 23 3.128 19.272 2.899 1.00 0.00 O ATOM 327 ND2 ASN A 23 0.928 18.819 2.919 1.00 0.00 N ATOM 0 H ASN A 23 0.459 16.522 0.622 1.00 0.00 H new ATOM 0 HA ASN A 23 2.976 17.982 0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.670 16.431 2.492 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.396 16.733 2.523 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.696 19.741 3.289 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.187 18.145 2.728 1.00 0.00 H new ATOM 334 N ASP A 24 4.582 16.028 0.011 1.00 0.00 N ATOM 335 CA ASP A 24 5.449 14.945 -0.439 1.00 0.00 C ATOM 336 C ASP A 24 5.244 13.696 0.413 1.00 0.00 C ATOM 337 O ASP A 24 5.068 12.596 -0.113 1.00 0.00 O ATOM 338 CB ASP A 24 6.914 15.380 -0.385 1.00 0.00 C ATOM 339 CG ASP A 24 7.225 16.490 -1.369 1.00 0.00 C ATOM 340 OD1 ASP A 24 6.981 16.297 -2.579 1.00 0.00 O ATOM 341 OD2 ASP A 24 7.713 17.553 -0.931 1.00 0.00 O ATOM 0 H ASP A 24 5.070 16.898 0.225 1.00 0.00 H new ATOM 0 HA ASP A 24 5.187 14.707 -1.470 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.153 15.715 0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.553 14.522 -0.596 1.00 0.00 H new ATOM 346 N ASP A 25 5.271 13.873 1.729 1.00 0.00 N ATOM 347 CA ASP A 25 5.088 12.761 2.654 1.00 0.00 C ATOM 348 C ASP A 25 3.927 11.874 2.216 1.00 0.00 C ATOM 349 O ASP A 25 4.055 10.652 2.153 1.00 0.00 O ATOM 350 CB ASP A 25 4.843 13.282 4.071 1.00 0.00 C ATOM 351 CG ASP A 25 6.105 13.818 4.718 1.00 0.00 C ATOM 352 OD1 ASP A 25 6.975 14.332 3.985 1.00 0.00 O ATOM 353 OD2 ASP A 25 6.222 13.722 5.957 1.00 0.00 O ATOM 0 H ASP A 25 5.418 14.776 2.179 1.00 0.00 H new ATOM 0 HA ASP A 25 6.000 12.163 2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.091 14.071 4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.437 12.478 4.685 1.00 0.00 H new ATOM 358 N GLU A 26 2.793 12.500 1.915 1.00 0.00 N ATOM 359 CA GLU A 26 1.608 11.767 1.485 1.00 0.00 C ATOM 360 C GLU A 26 1.795 11.208 0.077 1.00 0.00 C ATOM 361 O GLU A 26 2.151 11.937 -0.850 1.00 0.00 O ATOM 362 CB GLU A 26 0.377 12.675 1.526 1.00 0.00 C ATOM 363 CG GLU A 26 -0.214 12.837 2.917 1.00 0.00 C ATOM 364 CD GLU A 26 -1.464 13.695 2.923 1.00 0.00 C ATOM 365 OE1 GLU A 26 -1.334 14.932 2.809 1.00 0.00 O ATOM 366 OE2 GLU A 26 -2.571 13.131 3.044 1.00 0.00 O ATOM 0 H GLU A 26 2.670 13.512 1.961 1.00 0.00 H new ATOM 0 HA GLU A 26 1.459 10.933 2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.647 13.657 1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.386 12.269 0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.451 11.854 3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.532 13.283 3.575 1.00 0.00 H new ATOM 373 N LEU A 27 1.551 9.911 -0.075 1.00 0.00 N ATOM 374 CA LEU A 27 1.694 9.253 -1.369 1.00 0.00 C ATOM 375 C LEU A 27 0.478 9.520 -2.251 1.00 0.00 C ATOM 376 O LEU A 27 -0.664 9.358 -1.819 1.00 0.00 O ATOM 377 CB LEU A 27 1.880 7.747 -1.180 1.00 0.00 C ATOM 378 CG LEU A 27 2.065 6.927 -2.457 1.00 0.00 C ATOM 379 CD1 LEU A 27 3.392 7.264 -3.119 1.00 0.00 C ATOM 380 CD2 LEU A 27 1.980 5.438 -2.154 1.00 0.00 C ATOM 0 H LEU A 27 1.253 9.295 0.681 1.00 0.00 H new ATOM 0 HA LEU A 27 2.576 9.662 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.748 7.586 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.013 7.359 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 27 1.262 7.181 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.507 6.671 -4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.413 8.324 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.208 7.039 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.114 4.871 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.761 5.166 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.004 5.209 -1.726 1.00 0.00 H new ATOM 392 N THR A 28 0.731 9.927 -3.491 1.00 0.00 N ATOM 393 CA THR A 28 -0.342 10.215 -4.435 1.00 0.00 C ATOM 394 C THR A 28 -0.684 8.986 -5.270 1.00 0.00 C ATOM 395 O THR A 28 0.171 8.438 -5.966 1.00 0.00 O ATOM 396 CB THR A 28 0.035 11.373 -5.378 1.00 0.00 C ATOM 397 OG1 THR A 28 0.214 12.579 -4.626 1.00 0.00 O ATOM 398 CG2 THR A 28 -1.040 11.584 -6.434 1.00 0.00 C ATOM 0 H THR A 28 1.670 10.065 -3.865 1.00 0.00 H new ATOM 0 HA THR A 28 -1.212 10.505 -3.846 1.00 0.00 H new ATOM 0 HB THR A 28 0.968 11.115 -5.879 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.455 13.310 -5.233 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.751 12.407 -7.088 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.154 10.675 -7.024 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.986 11.822 -5.948 1.00 0.00 H new ATOM 406 N PHE A 29 -1.940 8.558 -5.197 1.00 0.00 N ATOM 407 CA PHE A 29 -2.395 7.393 -5.947 1.00 0.00 C ATOM 408 C PHE A 29 -3.823 7.592 -6.446 1.00 0.00 C ATOM 409 O PHE A 29 -4.515 8.520 -6.026 1.00 0.00 O ATOM 410 CB PHE A 29 -2.317 6.138 -5.075 1.00 0.00 C ATOM 411 CG PHE A 29 -3.064 6.261 -3.778 1.00 0.00 C ATOM 412 CD1 PHE A 29 -4.424 6.000 -3.720 1.00 0.00 C ATOM 413 CD2 PHE A 29 -2.408 6.637 -2.618 1.00 0.00 C ATOM 414 CE1 PHE A 29 -5.114 6.113 -2.527 1.00 0.00 C ATOM 415 CE2 PHE A 29 -3.092 6.751 -1.423 1.00 0.00 C ATOM 416 CZ PHE A 29 -4.447 6.488 -1.377 1.00 0.00 C ATOM 0 H PHE A 29 -2.661 9.000 -4.626 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.742 7.269 -6.810 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.714 5.291 -5.635 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.271 5.917 -4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.950 5.705 -4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.348 6.844 -2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.174 5.908 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.568 7.045 -0.526 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.984 6.575 -0.444 1.00 0.00 H new ATOM 426 N ILE A 30 -4.257 6.714 -7.345 1.00 0.00 N ATOM 427 CA ILE A 30 -5.601 6.792 -7.901 1.00 0.00 C ATOM 428 C ILE A 30 -6.299 5.438 -7.845 1.00 0.00 C ATOM 429 O ILE A 30 -5.647 4.395 -7.786 1.00 0.00 O ATOM 430 CB ILE A 30 -5.579 7.286 -9.360 1.00 0.00 C ATOM 431 CG1 ILE A 30 -4.751 6.338 -10.230 1.00 0.00 C ATOM 432 CG2 ILE A 30 -5.024 8.701 -9.432 1.00 0.00 C ATOM 433 CD1 ILE A 30 -5.121 6.384 -11.696 1.00 0.00 C ATOM 0 H ILE A 30 -3.697 5.941 -7.703 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.153 7.508 -7.292 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.601 7.298 -9.740 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.695 6.588 -10.122 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.877 5.319 -9.864 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.015 9.036 -10.469 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.651 9.368 -8.841 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.008 8.714 -9.038 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.494 5.687 -12.252 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.168 6.105 -11.816 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.968 7.393 -12.078 1.00 0.00 H new ATOM 445 N GLU A 31 -7.628 5.462 -7.867 1.00 0.00 N ATOM 446 CA GLU A 31 -8.414 4.234 -7.820 1.00 0.00 C ATOM 447 C GLU A 31 -7.945 3.247 -8.885 1.00 0.00 C ATOM 448 O GLU A 31 -7.823 3.594 -10.059 1.00 0.00 O ATOM 449 CB GLU A 31 -9.899 4.545 -8.015 1.00 0.00 C ATOM 450 CG GLU A 31 -10.800 3.331 -7.869 1.00 0.00 C ATOM 451 CD GLU A 31 -12.198 3.573 -8.403 1.00 0.00 C ATOM 452 OE1 GLU A 31 -13.029 4.134 -7.658 1.00 0.00 O ATOM 453 OE2 GLU A 31 -12.462 3.202 -9.566 1.00 0.00 O ATOM 0 H GLU A 31 -8.182 6.317 -7.917 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.272 3.779 -6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.201 5.301 -7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.044 4.977 -9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.355 2.488 -8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.860 3.053 -6.817 1.00 0.00 H new ATOM 460 N GLY A 32 -7.684 2.012 -8.465 1.00 0.00 N ATOM 461 CA GLY A 32 -7.231 0.993 -9.393 1.00 0.00 C ATOM 462 C GLY A 32 -5.720 0.891 -9.451 1.00 0.00 C ATOM 463 O GLY A 32 -5.146 0.674 -10.518 1.00 0.00 O ATOM 0 H GLY A 32 -7.778 1.700 -7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.646 0.029 -9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.615 1.216 -10.388 1.00 0.00 H new ATOM 467 N GLU A 33 -5.074 1.049 -8.300 1.00 0.00 N ATOM 468 CA GLU A 33 -3.619 0.976 -8.225 1.00 0.00 C ATOM 469 C GLU A 33 -3.178 0.002 -7.137 1.00 0.00 C ATOM 470 O GLU A 33 -3.978 -0.411 -6.297 1.00 0.00 O ATOM 471 CB GLU A 33 -3.030 2.362 -7.954 1.00 0.00 C ATOM 472 CG GLU A 33 -3.219 3.340 -9.102 1.00 0.00 C ATOM 473 CD GLU A 33 -2.181 3.167 -10.193 1.00 0.00 C ATOM 474 OE1 GLU A 33 -2.233 2.143 -10.905 1.00 0.00 O ATOM 475 OE2 GLU A 33 -1.316 4.056 -10.335 1.00 0.00 O ATOM 0 H GLU A 33 -5.534 1.228 -7.408 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.249 0.613 -9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.492 2.774 -7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.965 2.260 -7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.214 3.207 -9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.170 4.359 -8.718 1.00 0.00 H new ATOM 482 N VAL A 34 -1.900 -0.361 -7.158 1.00 0.00 N ATOM 483 CA VAL A 34 -1.352 -1.286 -6.173 1.00 0.00 C ATOM 484 C VAL A 34 -0.266 -0.617 -5.336 1.00 0.00 C ATOM 485 O VAL A 34 0.430 0.282 -5.808 1.00 0.00 O ATOM 486 CB VAL A 34 -0.764 -2.540 -6.848 1.00 0.00 C ATOM 487 CG1 VAL A 34 -0.126 -3.454 -5.812 1.00 0.00 C ATOM 488 CG2 VAL A 34 -1.841 -3.277 -7.630 1.00 0.00 C ATOM 0 H VAL A 34 -1.224 -0.029 -7.846 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.176 -1.583 -5.524 1.00 0.00 H new ATOM 0 HB VAL A 34 0.011 -2.226 -7.547 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.284 -4.334 -6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.674 -2.920 -5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.879 -3.763 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.409 -4.160 -8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.639 -3.581 -6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.248 -2.619 -8.398 1.00 0.00 H new ATOM 498 N ILE A 35 -0.128 -1.063 -4.092 1.00 0.00 N ATOM 499 CA ILE A 35 0.873 -0.509 -3.189 1.00 0.00 C ATOM 500 C ILE A 35 1.548 -1.608 -2.377 1.00 0.00 C ATOM 501 O ILE A 35 0.889 -2.523 -1.882 1.00 0.00 O ATOM 502 CB ILE A 35 0.254 0.521 -2.225 1.00 0.00 C ATOM 503 CG1 ILE A 35 -0.536 1.572 -3.006 1.00 0.00 C ATOM 504 CG2 ILE A 35 1.339 1.180 -1.386 1.00 0.00 C ATOM 505 CD1 ILE A 35 -1.099 2.674 -2.136 1.00 0.00 C ATOM 0 H ILE A 35 -0.697 -1.806 -3.687 1.00 0.00 H new ATOM 0 HA ILE A 35 1.617 -0.010 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.432 0.003 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.112 2.013 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.355 1.082 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.886 1.905 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.862 0.420 -0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.047 1.688 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.647 3.383 -2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.773 2.244 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.284 3.190 -1.629 1.00 0.00 H new ATOM 517 N ILE A 36 2.867 -1.511 -2.241 1.00 0.00 N ATOM 518 CA ILE A 36 3.632 -2.495 -1.485 1.00 0.00 C ATOM 519 C ILE A 36 3.874 -2.023 -0.055 1.00 0.00 C ATOM 520 O ILE A 36 4.794 -1.249 0.206 1.00 0.00 O ATOM 521 CB ILE A 36 4.988 -2.789 -2.154 1.00 0.00 C ATOM 522 CG1 ILE A 36 4.775 -3.384 -3.547 1.00 0.00 C ATOM 523 CG2 ILE A 36 5.811 -3.732 -1.289 1.00 0.00 C ATOM 524 CD1 ILE A 36 4.008 -4.687 -3.538 1.00 0.00 C ATOM 0 H ILE A 36 3.428 -0.761 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 36 3.039 -3.410 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 36 5.536 -1.853 -2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.240 -2.662 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.746 -3.547 -4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.766 -3.931 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.987 -3.273 -0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.270 -4.669 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.895 -5.050 -4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.552 -5.425 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.023 -4.527 -3.099 1.00 0.00 H new ATOM 536 N VAL A 37 3.042 -2.497 0.867 1.00 0.00 N ATOM 537 CA VAL A 37 3.167 -2.126 2.272 1.00 0.00 C ATOM 538 C VAL A 37 4.472 -2.648 2.863 1.00 0.00 C ATOM 539 O VAL A 37 4.668 -3.857 2.995 1.00 0.00 O ATOM 540 CB VAL A 37 1.988 -2.665 3.102 1.00 0.00 C ATOM 541 CG1 VAL A 37 1.988 -2.049 4.493 1.00 0.00 C ATOM 542 CG2 VAL A 37 0.669 -2.397 2.391 1.00 0.00 C ATOM 0 H VAL A 37 2.275 -3.138 0.667 1.00 0.00 H new ATOM 0 HA VAL A 37 3.162 -1.037 2.314 1.00 0.00 H new ATOM 0 HB VAL A 37 2.104 -3.744 3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.147 -2.442 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.920 -2.297 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.896 -0.966 4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.154 -2.785 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.542 -1.323 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.673 -2.891 1.419 1.00 0.00 H new ATOM 552 N THR A 38 5.363 -1.729 3.221 1.00 0.00 N ATOM 553 CA THR A 38 6.649 -2.096 3.799 1.00 0.00 C ATOM 554 C THR A 38 6.734 -1.679 5.263 1.00 0.00 C ATOM 555 O THR A 38 7.213 -2.435 6.107 1.00 0.00 O ATOM 556 CB THR A 38 7.817 -1.453 3.025 1.00 0.00 C ATOM 557 OG1 THR A 38 7.623 -0.037 2.936 1.00 0.00 O ATOM 558 CG2 THR A 38 7.931 -2.044 1.629 1.00 0.00 C ATOM 0 H THR A 38 5.217 -0.724 3.121 1.00 0.00 H new ATOM 0 HA THR A 38 6.729 -3.181 3.728 1.00 0.00 H new ATOM 0 HB THR A 38 8.741 -1.660 3.565 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.369 0.365 2.445 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.762 -1.575 1.102 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.107 -3.117 1.702 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.006 -1.864 1.081 1.00 0.00 H new ATOM 566 N GLY A 39 6.264 -0.471 5.557 1.00 0.00 N ATOM 567 CA GLY A 39 6.295 0.026 6.922 1.00 0.00 C ATOM 568 C GLY A 39 4.928 0.456 7.413 1.00 0.00 C ATOM 569 O GLY A 39 4.512 1.593 7.191 1.00 0.00 O ATOM 0 H GLY A 39 5.862 0.173 4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.686 -0.751 7.579 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.982 0.870 6.982 1.00 0.00 H new ATOM 573 N GLU A 40 4.227 -0.454 8.081 1.00 0.00 N ATOM 574 CA GLU A 40 2.897 -0.162 8.602 1.00 0.00 C ATOM 575 C GLU A 40 2.984 0.649 9.892 1.00 0.00 C ATOM 576 O GLU A 40 3.218 0.099 10.969 1.00 0.00 O ATOM 577 CB GLU A 40 2.127 -1.461 8.855 1.00 0.00 C ATOM 578 CG GLU A 40 1.771 -2.213 7.584 1.00 0.00 C ATOM 579 CD GLU A 40 1.601 -3.702 7.816 1.00 0.00 C ATOM 580 OE1 GLU A 40 0.761 -4.079 8.660 1.00 0.00 O ATOM 581 OE2 GLU A 40 2.308 -4.489 7.154 1.00 0.00 O ATOM 0 H GLU A 40 4.558 -1.399 8.274 1.00 0.00 H new ATOM 0 HA GLU A 40 2.365 0.429 7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.725 -2.109 9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.211 -1.231 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.848 -1.806 7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.551 -2.052 6.840 1.00 0.00 H new ATOM 588 N GLU A 41 2.796 1.959 9.774 1.00 0.00 N ATOM 589 CA GLU A 41 2.856 2.846 10.930 1.00 0.00 C ATOM 590 C GLU A 41 1.844 2.424 11.992 1.00 0.00 C ATOM 591 O GLU A 41 2.151 2.410 13.185 1.00 0.00 O ATOM 592 CB GLU A 41 2.591 4.292 10.506 1.00 0.00 C ATOM 593 CG GLU A 41 3.843 5.039 10.078 1.00 0.00 C ATOM 594 CD GLU A 41 3.638 6.542 10.031 1.00 0.00 C ATOM 595 OE1 GLU A 41 2.896 7.011 9.144 1.00 0.00 O ATOM 596 OE2 GLU A 41 4.220 7.247 10.881 1.00 0.00 O ATOM 0 H GLU A 41 2.601 2.430 8.890 1.00 0.00 H new ATOM 0 HA GLU A 41 3.857 2.777 11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.877 4.295 9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.125 4.825 11.335 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.654 4.808 10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.153 4.687 9.094 1.00 0.00 H new ATOM 603 N ASP A 42 0.640 2.080 11.551 1.00 0.00 N ATOM 604 CA ASP A 42 -0.417 1.657 12.462 1.00 0.00 C ATOM 605 C ASP A 42 -1.560 0.995 11.699 1.00 0.00 C ATOM 606 O ASP A 42 -1.514 0.876 10.475 1.00 0.00 O ATOM 607 CB ASP A 42 -0.943 2.852 13.258 1.00 0.00 C ATOM 608 CG ASP A 42 -0.916 4.138 12.456 1.00 0.00 C ATOM 609 OD1 ASP A 42 -0.758 4.062 11.220 1.00 0.00 O ATOM 610 OD2 ASP A 42 -1.054 5.220 13.064 1.00 0.00 O ATOM 0 H ASP A 42 0.371 2.086 10.567 1.00 0.00 H new ATOM 0 HA ASP A 42 0.004 0.927 13.154 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.964 2.649 13.580 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.343 2.977 14.160 1.00 0.00 H new ATOM 615 N GLN A 43 -2.583 0.565 12.431 1.00 0.00 N ATOM 616 CA GLN A 43 -3.737 -0.086 11.822 1.00 0.00 C ATOM 617 C GLN A 43 -4.607 0.927 11.085 1.00 0.00 C ATOM 618 O GLN A 43 -5.618 0.567 10.484 1.00 0.00 O ATOM 619 CB GLN A 43 -4.564 -0.806 12.888 1.00 0.00 C ATOM 620 CG GLN A 43 -5.579 -1.781 12.315 1.00 0.00 C ATOM 621 CD GLN A 43 -6.923 -1.133 12.046 1.00 0.00 C ATOM 622 OE1 GLN A 43 -7.470 -1.242 10.948 1.00 0.00 O ATOM 623 NE2 GLN A 43 -7.464 -0.452 13.049 1.00 0.00 N ATOM 0 H GLN A 43 -2.636 0.656 13.446 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.372 -0.817 11.101 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.891 -1.345 13.555 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -5.086 -0.065 13.493 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -5.190 -2.201 11.387 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -5.712 -2.611 13.009 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -6.977 -0.387 13.943 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.367 0.006 12.926 1.00 0.00 H new ATOM 632 N GLU A 44 -4.206 2.193 11.136 1.00 0.00 N ATOM 633 CA GLU A 44 -4.951 3.257 10.474 1.00 0.00 C ATOM 634 C GLU A 44 -4.167 3.815 9.290 1.00 0.00 C ATOM 635 O GLU A 44 -4.744 4.177 8.265 1.00 0.00 O ATOM 636 CB GLU A 44 -5.269 4.380 11.463 1.00 0.00 C ATOM 637 CG GLU A 44 -5.714 3.881 12.828 1.00 0.00 C ATOM 638 CD GLU A 44 -4.552 3.669 13.780 1.00 0.00 C ATOM 639 OE1 GLU A 44 -3.622 4.503 13.776 1.00 0.00 O ATOM 640 OE2 GLU A 44 -4.573 2.669 14.527 1.00 0.00 O ATOM 0 H GLU A 44 -3.370 2.507 11.629 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.885 2.834 10.103 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.385 5.006 11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.052 5.011 11.043 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.409 4.598 13.264 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.257 2.943 12.709 1.00 0.00 H new ATOM 647 N TRP A 45 -2.849 3.880 9.440 1.00 0.00 N ATOM 648 CA TRP A 45 -1.985 4.395 8.383 1.00 0.00 C ATOM 649 C TRP A 45 -0.845 3.425 8.092 1.00 0.00 C ATOM 650 O TRP A 45 -0.222 2.892 9.009 1.00 0.00 O ATOM 651 CB TRP A 45 -1.420 5.761 8.777 1.00 0.00 C ATOM 652 CG TRP A 45 -2.437 6.860 8.728 1.00 0.00 C ATOM 653 CD1 TRP A 45 -3.404 7.124 9.655 1.00 0.00 C ATOM 654 CD2 TRP A 45 -2.588 7.841 7.697 1.00 0.00 C ATOM 655 NE1 TRP A 45 -4.148 8.211 9.264 1.00 0.00 N ATOM 656 CE2 TRP A 45 -3.666 8.670 8.066 1.00 0.00 C ATOM 657 CE3 TRP A 45 -1.917 8.104 6.500 1.00 0.00 C ATOM 658 CZ2 TRP A 45 -4.086 9.739 7.278 1.00 0.00 C ATOM 659 CZ3 TRP A 45 -2.335 9.165 5.720 1.00 0.00 C ATOM 660 CH2 TRP A 45 -3.411 9.972 6.111 1.00 0.00 C ATOM 0 H TRP A 45 -2.355 3.583 10.282 1.00 0.00 H new ATOM 0 HA TRP A 45 -2.584 4.505 7.479 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -1.010 5.700 9.785 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.594 6.010 8.111 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.561 6.561 10.563 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -4.931 8.611 9.781 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -1.086 7.488 6.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.916 10.362 7.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -1.823 9.376 4.793 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -3.714 10.794 5.479 1.00 0.00 H new ATOM 671 N TRP A 46 -0.579 3.200 6.810 1.00 0.00 N ATOM 672 CA TRP A 46 0.487 2.293 6.399 1.00 0.00 C ATOM 673 C TRP A 46 1.464 2.991 5.458 1.00 0.00 C ATOM 674 O TRP A 46 1.236 4.129 5.045 1.00 0.00 O ATOM 675 CB TRP A 46 -0.101 1.056 5.717 1.00 0.00 C ATOM 676 CG TRP A 46 -0.602 0.027 6.684 1.00 0.00 C ATOM 677 CD1 TRP A 46 -0.414 0.014 8.037 1.00 0.00 C ATOM 678 CD2 TRP A 46 -1.370 -1.140 6.372 1.00 0.00 C ATOM 679 NE1 TRP A 46 -1.020 -1.092 8.585 1.00 0.00 N ATOM 680 CE2 TRP A 46 -1.615 -1.815 7.585 1.00 0.00 C ATOM 681 CE3 TRP A 46 -1.878 -1.680 5.187 1.00 0.00 C ATOM 682 CZ2 TRP A 46 -2.342 -3.000 7.642 1.00 0.00 C ATOM 683 CZ3 TRP A 46 -2.600 -2.857 5.247 1.00 0.00 C ATOM 684 CH2 TRP A 46 -2.827 -3.506 6.468 1.00 0.00 C ATOM 0 H TRP A 46 -1.086 3.633 6.038 1.00 0.00 H new ATOM 0 HA TRP A 46 1.030 1.983 7.292 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.921 1.363 5.067 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.660 0.605 5.079 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.130 0.762 8.594 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.026 -1.335 9.576 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.709 -1.186 4.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -2.517 -3.503 8.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.996 -3.284 4.337 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.396 -4.424 6.482 1.00 0.00 H new ATOM 695 N ILE A 47 2.550 2.303 5.123 1.00 0.00 N ATOM 696 CA ILE A 47 3.559 2.858 4.229 1.00 0.00 C ATOM 697 C ILE A 47 3.973 1.843 3.170 1.00 0.00 C ATOM 698 O ILE A 47 4.132 0.658 3.459 1.00 0.00 O ATOM 699 CB ILE A 47 4.809 3.312 5.006 1.00 0.00 C ATOM 700 CG1 ILE A 47 4.404 4.133 6.232 1.00 0.00 C ATOM 701 CG2 ILE A 47 5.730 4.119 4.101 1.00 0.00 C ATOM 702 CD1 ILE A 47 5.550 4.405 7.182 1.00 0.00 C ATOM 0 H ILE A 47 2.754 1.361 5.457 1.00 0.00 H new ATOM 0 HA ILE A 47 3.109 3.723 3.742 1.00 0.00 H new ATOM 0 HB ILE A 47 5.349 2.428 5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.984 5.083 5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.615 3.605 6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.609 4.433 4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.040 3.504 3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.201 4.998 3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.190 4.991 8.028 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.956 3.460 7.542 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.330 4.960 6.661 1.00 0.00 H new ATOM 714 N GLY A 48 4.148 2.316 1.939 1.00 0.00 N ATOM 715 CA GLY A 48 4.544 1.438 0.856 1.00 0.00 C ATOM 716 C GLY A 48 4.876 2.196 -0.414 1.00 0.00 C ATOM 717 O GLY A 48 4.748 3.419 -0.467 1.00 0.00 O ATOM 0 H GLY A 48 4.022 3.293 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.412 0.855 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.740 0.731 0.653 1.00 0.00 H new ATOM 721 N HIS A 49 5.308 1.469 -1.440 1.00 0.00 N ATOM 722 CA HIS A 49 5.661 2.082 -2.716 1.00 0.00 C ATOM 723 C HIS A 49 4.863 1.460 -3.857 1.00 0.00 C ATOM 724 O HIS A 49 4.667 0.244 -3.901 1.00 0.00 O ATOM 725 CB HIS A 49 7.159 1.927 -2.982 1.00 0.00 C ATOM 726 CG HIS A 49 7.655 0.525 -2.817 1.00 0.00 C ATOM 727 ND1 HIS A 49 7.165 -0.538 -3.547 1.00 0.00 N ATOM 728 CD2 HIS A 49 8.605 0.011 -2.000 1.00 0.00 C ATOM 729 CE1 HIS A 49 7.791 -1.644 -3.186 1.00 0.00 C ATOM 730 NE2 HIS A 49 8.670 -1.338 -2.248 1.00 0.00 N ATOM 0 H HIS A 49 5.422 0.456 -1.413 1.00 0.00 H new ATOM 0 HA HIS A 49 5.416 3.143 -2.662 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.376 2.263 -3.996 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.709 2.580 -2.305 1.00 0.00 H new ATOM 0 HD1 HIS A 49 6.433 -0.479 -4.255 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.201 0.560 -1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.614 -2.630 -3.589 1.00 0.00 H new ATOM 739 N ILE A 50 4.403 2.299 -4.779 1.00 0.00 N ATOM 740 CA ILE A 50 3.627 1.830 -5.920 1.00 0.00 C ATOM 741 C ILE A 50 4.383 0.759 -6.697 1.00 0.00 C ATOM 742 O ILE A 50 5.507 0.981 -7.145 1.00 0.00 O ATOM 743 CB ILE A 50 3.273 2.987 -6.874 1.00 0.00 C ATOM 744 CG1 ILE A 50 2.441 4.042 -6.143 1.00 0.00 C ATOM 745 CG2 ILE A 50 2.525 2.461 -8.089 1.00 0.00 C ATOM 746 CD1 ILE A 50 0.968 3.705 -6.071 1.00 0.00 C ATOM 0 H ILE A 50 4.554 3.307 -4.758 1.00 0.00 H new ATOM 0 HA ILE A 50 2.707 1.404 -5.521 1.00 0.00 H new ATOM 0 HB ILE A 50 4.197 3.454 -7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.828 4.162 -5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.562 5.001 -6.646 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.282 3.290 -8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.151 1.743 -8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.605 1.973 -7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.439 4.496 -5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.566 3.614 -7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.836 2.761 -5.542 1.00 0.00 H new ATOM 758 N GLU A 51 3.758 -0.404 -6.853 1.00 0.00 N ATOM 759 CA GLU A 51 4.373 -1.510 -7.578 1.00 0.00 C ATOM 760 C GLU A 51 5.054 -1.015 -8.851 1.00 0.00 C ATOM 761 O GLU A 51 4.517 -0.173 -9.569 1.00 0.00 O ATOM 762 CB GLU A 51 3.322 -2.567 -7.927 1.00 0.00 C ATOM 763 CG GLU A 51 3.914 -3.853 -8.480 1.00 0.00 C ATOM 764 CD GLU A 51 2.916 -4.650 -9.297 1.00 0.00 C ATOM 765 OE1 GLU A 51 1.794 -4.882 -8.799 1.00 0.00 O ATOM 766 OE2 GLU A 51 3.257 -5.041 -10.433 1.00 0.00 O ATOM 0 H GLU A 51 2.827 -0.605 -6.487 1.00 0.00 H new ATOM 0 HA GLU A 51 5.129 -1.958 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.741 -2.799 -7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.630 -2.151 -8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.777 -3.614 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.275 -4.467 -7.655 1.00 0.00 H new ATOM 773 N GLY A 52 6.243 -1.545 -9.123 1.00 0.00 N ATOM 774 CA GLY A 52 6.980 -1.145 -10.308 1.00 0.00 C ATOM 775 C GLY A 52 7.668 0.195 -10.139 1.00 0.00 C ATOM 776 O GLY A 52 8.821 0.361 -10.533 1.00 0.00 O ATOM 0 H GLY A 52 6.709 -2.244 -8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.725 -1.905 -10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.298 -1.095 -11.157 1.00 0.00 H new ATOM 780 N GLN A 53 6.957 1.153 -9.551 1.00 0.00 N ATOM 781 CA GLN A 53 7.507 2.486 -9.332 1.00 0.00 C ATOM 782 C GLN A 53 7.835 2.704 -7.859 1.00 0.00 C ATOM 783 O GLN A 53 7.032 3.233 -7.091 1.00 0.00 O ATOM 784 CB GLN A 53 6.521 3.552 -9.812 1.00 0.00 C ATOM 785 CG GLN A 53 6.612 3.839 -11.301 1.00 0.00 C ATOM 786 CD GLN A 53 5.508 4.759 -11.786 1.00 0.00 C ATOM 787 OE1 GLN A 53 5.772 5.834 -12.324 1.00 0.00 O ATOM 788 NE2 GLN A 53 4.263 4.338 -11.599 1.00 0.00 N ATOM 0 H GLN A 53 6.001 1.031 -9.218 1.00 0.00 H new ATOM 0 HA GLN A 53 8.430 2.571 -9.906 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.507 3.231 -9.574 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.700 4.475 -9.261 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.579 4.290 -11.522 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.565 2.900 -11.852 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.091 3.439 -11.148 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.479 4.913 -11.906 1.00 0.00 H new ATOM 797 N PRO A 54 9.045 2.289 -7.453 1.00 0.00 N ATOM 798 CA PRO A 54 9.507 2.429 -6.069 1.00 0.00 C ATOM 799 C PRO A 54 9.771 3.882 -5.691 1.00 0.00 C ATOM 800 O PRO A 54 9.564 4.282 -4.545 1.00 0.00 O ATOM 801 CB PRO A 54 10.809 1.626 -6.046 1.00 0.00 C ATOM 802 CG PRO A 54 11.289 1.642 -7.457 1.00 0.00 C ATOM 803 CD PRO A 54 10.054 1.650 -8.315 1.00 0.00 C ATOM 0 HA PRO A 54 8.762 2.080 -5.354 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.540 2.076 -5.374 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.640 0.607 -5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.904 2.521 -7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.906 0.769 -7.669 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.209 2.211 -9.237 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.757 0.641 -8.602 1.00 0.00 H new ATOM 811 N GLU A 55 10.230 4.667 -6.661 1.00 0.00 N ATOM 812 CA GLU A 55 10.522 6.077 -6.428 1.00 0.00 C ATOM 813 C GLU A 55 9.424 6.730 -5.592 1.00 0.00 C ATOM 814 O GLU A 55 9.690 7.624 -4.789 1.00 0.00 O ATOM 815 CB GLU A 55 10.674 6.816 -7.758 1.00 0.00 C ATOM 816 CG GLU A 55 9.672 6.381 -8.815 1.00 0.00 C ATOM 817 CD GLU A 55 9.787 7.184 -10.095 1.00 0.00 C ATOM 818 OE1 GLU A 55 9.128 8.240 -10.196 1.00 0.00 O ATOM 819 OE2 GLU A 55 10.537 6.755 -10.998 1.00 0.00 O ATOM 0 H GLU A 55 10.407 4.351 -7.614 1.00 0.00 H new ATOM 0 HA GLU A 55 11.460 6.141 -5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.564 7.886 -7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.683 6.657 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.822 5.325 -9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.663 6.483 -8.417 1.00 0.00 H new ATOM 826 N ARG A 56 8.190 6.276 -5.788 1.00 0.00 N ATOM 827 CA ARG A 56 7.052 6.817 -5.055 1.00 0.00 C ATOM 828 C ARG A 56 6.775 5.995 -3.800 1.00 0.00 C ATOM 829 O ARG A 56 6.261 4.879 -3.876 1.00 0.00 O ATOM 830 CB ARG A 56 5.809 6.841 -5.948 1.00 0.00 C ATOM 831 CG ARG A 56 5.926 7.790 -7.128 1.00 0.00 C ATOM 832 CD ARG A 56 4.869 7.500 -8.183 1.00 0.00 C ATOM 833 NE ARG A 56 3.594 8.140 -7.871 1.00 0.00 N ATOM 834 CZ ARG A 56 3.407 9.456 -7.895 1.00 0.00 C ATOM 835 NH1 ARG A 56 4.409 10.264 -8.213 1.00 0.00 N ATOM 836 NH2 ARG A 56 2.219 9.964 -7.599 1.00 0.00 N ATOM 0 H ARG A 56 7.953 5.535 -6.448 1.00 0.00 H new ATOM 0 HA ARG A 56 7.295 7.836 -4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.620 5.834 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.946 7.127 -5.347 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.823 8.818 -6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.918 7.701 -7.571 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.221 7.848 -9.154 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.724 6.423 -8.264 1.00 0.00 H new ATOM 0 HE ARG A 56 2.804 7.545 -7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.325 9.876 -8.440 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.264 11.273 -8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.447 9.345 -7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.077 10.974 -7.618 1.00 0.00 H new ATOM 850 N LYS A 57 7.118 6.555 -2.645 1.00 0.00 N ATOM 851 CA LYS A 57 6.907 5.877 -1.372 1.00 0.00 C ATOM 852 C LYS A 57 6.475 6.866 -0.294 1.00 0.00 C ATOM 853 O LYS A 57 7.234 7.756 0.086 1.00 0.00 O ATOM 854 CB LYS A 57 8.185 5.156 -0.936 1.00 0.00 C ATOM 855 CG LYS A 57 9.392 6.071 -0.827 1.00 0.00 C ATOM 856 CD LYS A 57 10.681 5.278 -0.690 1.00 0.00 C ATOM 857 CE LYS A 57 11.273 4.936 -2.048 1.00 0.00 C ATOM 858 NZ LYS A 57 12.613 4.300 -1.926 1.00 0.00 N ATOM 0 H LYS A 57 7.544 7.478 -2.565 1.00 0.00 H new ATOM 0 HA LYS A 57 6.112 5.144 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.012 4.680 0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.405 4.361 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.448 6.708 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.275 6.729 0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.404 5.854 -0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.487 4.360 -0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.599 4.263 -2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.355 5.843 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.982 4.083 -2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.264 4.951 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.531 3.421 -1.376 1.00 0.00 H new ATOM 872 N GLY A 58 5.250 6.701 0.197 1.00 0.00 N ATOM 873 CA GLY A 58 4.740 7.586 1.228 1.00 0.00 C ATOM 874 C GLY A 58 3.596 6.968 2.009 1.00 0.00 C ATOM 875 O GLY A 58 2.919 6.063 1.520 1.00 0.00 O ATOM 0 H GLY A 58 4.603 5.971 -0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.547 7.843 1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.403 8.516 0.770 1.00 0.00 H new ATOM 879 N VAL A 59 3.383 7.454 3.227 1.00 0.00 N ATOM 880 CA VAL A 59 2.314 6.944 4.078 1.00 0.00 C ATOM 881 C VAL A 59 0.944 7.275 3.497 1.00 0.00 C ATOM 882 O VAL A 59 0.747 8.339 2.913 1.00 0.00 O ATOM 883 CB VAL A 59 2.409 7.519 5.503 1.00 0.00 C ATOM 884 CG1 VAL A 59 2.140 9.016 5.495 1.00 0.00 C ATOM 885 CG2 VAL A 59 1.441 6.801 6.432 1.00 0.00 C ATOM 0 H VAL A 59 3.937 8.201 3.647 1.00 0.00 H new ATOM 0 HA VAL A 59 2.434 5.862 4.123 1.00 0.00 H new ATOM 0 HB VAL A 59 3.421 7.358 5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.212 9.404 6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.875 9.514 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.140 9.204 5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.521 7.220 7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.422 6.929 6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.685 5.739 6.462 1.00 0.00 H new ATOM 895 N PHE A 60 -0.001 6.355 3.665 1.00 0.00 N ATOM 896 CA PHE A 60 -1.354 6.549 3.157 1.00 0.00 C ATOM 897 C PHE A 60 -2.384 5.966 4.120 1.00 0.00 C ATOM 898 O PHE A 60 -2.104 5.045 4.888 1.00 0.00 O ATOM 899 CB PHE A 60 -1.503 5.900 1.780 1.00 0.00 C ATOM 900 CG PHE A 60 -1.052 4.467 1.741 1.00 0.00 C ATOM 901 CD1 PHE A 60 0.294 4.153 1.635 1.00 0.00 C ATOM 902 CD2 PHE A 60 -1.973 3.435 1.810 1.00 0.00 C ATOM 903 CE1 PHE A 60 0.711 2.837 1.597 1.00 0.00 C ATOM 904 CE2 PHE A 60 -1.561 2.116 1.773 1.00 0.00 C ATOM 905 CZ PHE A 60 -0.217 1.817 1.668 1.00 0.00 C ATOM 0 H PHE A 60 0.145 5.469 4.148 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.531 7.621 3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.548 5.952 1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.928 6.473 1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.025 4.946 1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.025 3.663 1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.763 2.606 1.512 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.289 1.320 1.826 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.108 0.787 1.641 1.00 0.00 H new ATOM 915 N PRO A 61 -3.608 6.516 4.080 1.00 0.00 N ATOM 916 CA PRO A 61 -4.705 6.066 4.942 1.00 0.00 C ATOM 917 C PRO A 61 -5.209 4.678 4.564 1.00 0.00 C ATOM 918 O PRO A 61 -5.651 4.454 3.437 1.00 0.00 O ATOM 919 CB PRO A 61 -5.795 7.115 4.703 1.00 0.00 C ATOM 920 CG PRO A 61 -5.508 7.657 3.345 1.00 0.00 C ATOM 921 CD PRO A 61 -4.013 7.616 3.190 1.00 0.00 C ATOM 0 HA PRO A 61 -4.396 5.981 5.984 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.789 6.671 4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.761 7.900 5.458 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.997 7.060 2.575 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.883 8.675 3.244 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.721 7.425 2.157 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.553 8.560 3.482 1.00 0.00 H new ATOM 929 N VAL A 62 -5.142 3.751 5.512 1.00 0.00 N ATOM 930 CA VAL A 62 -5.594 2.384 5.279 1.00 0.00 C ATOM 931 C VAL A 62 -7.093 2.339 5.011 1.00 0.00 C ATOM 932 O VAL A 62 -7.608 1.362 4.467 1.00 0.00 O ATOM 933 CB VAL A 62 -5.270 1.473 6.478 1.00 0.00 C ATOM 934 CG1 VAL A 62 -5.665 0.035 6.178 1.00 0.00 C ATOM 935 CG2 VAL A 62 -3.794 1.566 6.834 1.00 0.00 C ATOM 0 H VAL A 62 -4.779 3.921 6.450 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.060 2.020 4.401 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.849 1.812 7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.429 -0.594 7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.735 -0.014 5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.115 -0.319 5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.583 0.916 7.683 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.193 1.254 5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.547 2.595 7.095 1.00 0.00 H new ATOM 945 N SER A 63 -7.790 3.404 5.395 1.00 0.00 N ATOM 946 CA SER A 63 -9.233 3.485 5.199 1.00 0.00 C ATOM 947 C SER A 63 -9.567 3.777 3.739 1.00 0.00 C ATOM 948 O SER A 63 -10.733 3.775 3.345 1.00 0.00 O ATOM 949 CB SER A 63 -9.830 4.569 6.097 1.00 0.00 C ATOM 950 OG SER A 63 -9.324 5.848 5.760 1.00 0.00 O ATOM 0 H SER A 63 -7.379 4.223 5.844 1.00 0.00 H new ATOM 0 HA SER A 63 -9.666 2.522 5.467 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.916 4.568 6.001 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.602 4.348 7.140 1.00 0.00 H new ATOM 0 HG SER A 63 -9.723 6.523 6.348 1.00 0.00 H new ATOM 956 N PHE A 64 -8.534 4.028 2.941 1.00 0.00 N ATOM 957 CA PHE A 64 -8.717 4.323 1.525 1.00 0.00 C ATOM 958 C PHE A 64 -8.252 3.154 0.661 1.00 0.00 C ATOM 959 O PHE A 64 -8.409 3.168 -0.560 1.00 0.00 O ATOM 960 CB PHE A 64 -7.949 5.590 1.144 1.00 0.00 C ATOM 961 CG PHE A 64 -8.642 6.857 1.556 1.00 0.00 C ATOM 962 CD1 PHE A 64 -9.188 6.984 2.823 1.00 0.00 C ATOM 963 CD2 PHE A 64 -8.746 7.924 0.676 1.00 0.00 C ATOM 964 CE1 PHE A 64 -9.826 8.148 3.205 1.00 0.00 C ATOM 965 CE2 PHE A 64 -9.383 9.091 1.053 1.00 0.00 C ATOM 966 CZ PHE A 64 -9.923 9.204 2.318 1.00 0.00 C ATOM 0 H PHE A 64 -7.562 4.033 3.251 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.780 4.483 1.347 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.962 5.559 1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.797 5.603 0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -9.114 6.163 3.521 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.324 7.842 -0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -10.249 8.233 4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.458 9.914 0.358 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.420 10.116 2.614 1.00 0.00 H new ATOM 976 N VAL A 65 -7.679 2.141 1.305 1.00 0.00 N ATOM 977 CA VAL A 65 -7.192 0.963 0.597 1.00 0.00 C ATOM 978 C VAL A 65 -7.790 -0.313 1.178 1.00 0.00 C ATOM 979 O VAL A 65 -8.210 -0.344 2.335 1.00 0.00 O ATOM 980 CB VAL A 65 -5.656 0.870 0.654 1.00 0.00 C ATOM 981 CG1 VAL A 65 -5.023 2.156 0.145 1.00 0.00 C ATOM 982 CG2 VAL A 65 -5.194 0.564 2.071 1.00 0.00 C ATOM 0 H VAL A 65 -7.541 2.113 2.315 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.504 1.066 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.335 0.054 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.937 2.071 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.328 2.328 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.349 2.992 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.106 0.502 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.526 1.357 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.619 -0.386 2.395 1.00 0.00 H new ATOM 992 N HIS A 66 -7.826 -1.365 0.366 1.00 0.00 N ATOM 993 CA HIS A 66 -8.372 -2.647 0.800 1.00 0.00 C ATOM 994 C HIS A 66 -7.375 -3.774 0.552 1.00 0.00 C ATOM 995 O HIS A 66 -6.942 -3.994 -0.579 1.00 0.00 O ATOM 996 CB HIS A 66 -9.684 -2.940 0.069 1.00 0.00 C ATOM 997 CG HIS A 66 -9.499 -3.692 -1.213 1.00 0.00 C ATOM 998 ND1 HIS A 66 -10.133 -4.886 -1.482 1.00 0.00 N ATOM 999 CD2 HIS A 66 -8.748 -3.411 -2.304 1.00 0.00 C ATOM 1000 CE1 HIS A 66 -9.778 -5.309 -2.683 1.00 0.00 C ATOM 1001 NE2 HIS A 66 -8.939 -4.431 -3.202 1.00 0.00 N ATOM 0 H HIS A 66 -7.484 -1.355 -0.595 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.567 -2.588 1.871 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.337 -3.514 0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.192 -1.999 -0.141 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -10.775 -5.368 -0.853 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.117 -2.546 -2.442 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.116 -6.218 -3.159 1.00 0.00 H new ATOM 1010 N ILE A 67 -7.015 -4.483 1.616 1.00 0.00 N ATOM 1011 CA ILE A 67 -6.069 -5.588 1.513 1.00 0.00 C ATOM 1012 C ILE A 67 -6.587 -6.669 0.572 1.00 0.00 C ATOM 1013 O ILE A 67 -7.733 -7.106 0.681 1.00 0.00 O ATOM 1014 CB ILE A 67 -5.784 -6.215 2.890 1.00 0.00 C ATOM 1015 CG1 ILE A 67 -5.222 -5.162 3.849 1.00 0.00 C ATOM 1016 CG2 ILE A 67 -4.818 -7.382 2.751 1.00 0.00 C ATOM 1017 CD1 ILE A 67 -5.156 -5.628 5.286 1.00 0.00 C ATOM 0 H ILE A 67 -7.364 -4.312 2.559 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.143 -5.175 1.113 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.721 -6.591 3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.222 -4.880 3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.840 -4.266 3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.626 -7.815 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.254 -8.139 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.881 -7.029 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.748 -4.831 5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.158 -5.882 5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.514 -6.506 5.355 1.00 0.00 H new ATOM 1029 N LEU A 68 -5.735 -7.099 -0.353 1.00 0.00 N ATOM 1030 CA LEU A 68 -6.106 -8.132 -1.314 1.00 0.00 C ATOM 1031 C LEU A 68 -5.960 -9.522 -0.702 1.00 0.00 C ATOM 1032 O LEU A 68 -5.190 -9.720 0.237 1.00 0.00 O ATOM 1033 CB LEU A 68 -5.241 -8.021 -2.570 1.00 0.00 C ATOM 1034 CG LEU A 68 -5.191 -6.644 -3.233 1.00 0.00 C ATOM 1035 CD1 LEU A 68 -4.120 -6.610 -4.312 1.00 0.00 C ATOM 1036 CD2 LEU A 68 -6.549 -6.284 -3.814 1.00 0.00 C ATOM 0 H LEU A 68 -4.783 -6.748 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.151 -7.983 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.223 -8.315 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.606 -8.741 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.935 -5.904 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.099 -5.622 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.148 -6.824 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.344 -7.360 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.496 -5.301 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.834 -7.026 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.293 -6.267 -3.017 1.00 0.00 H new ATOM 1048 N SER A 69 -6.704 -10.482 -1.243 1.00 0.00 N ATOM 1049 CA SER A 69 -6.659 -11.853 -0.750 1.00 0.00 C ATOM 1050 C SER A 69 -5.291 -12.478 -1.006 1.00 0.00 C ATOM 1051 O SER A 69 -4.721 -12.330 -2.088 1.00 0.00 O ATOM 1052 CB SER A 69 -7.749 -12.693 -1.417 1.00 0.00 C ATOM 1053 OG SER A 69 -9.034 -12.339 -0.933 1.00 0.00 O ATOM 0 H SER A 69 -7.345 -10.335 -2.023 1.00 0.00 H new ATOM 0 HA SER A 69 -6.834 -11.832 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.712 -12.551 -2.497 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.564 -13.750 -1.228 1.00 0.00 H new ATOM 0 HG SER A 69 -9.713 -12.889 -1.376 1.00 0.00 H new ATOM 1059 N ASP A 70 -4.770 -13.178 -0.005 1.00 0.00 N ATOM 1060 CA ASP A 70 -3.469 -13.827 -0.121 1.00 0.00 C ATOM 1061 C ASP A 70 -3.470 -14.847 -1.256 1.00 0.00 C ATOM 1062 O ASP A 70 -2.606 -14.816 -2.132 1.00 0.00 O ATOM 1063 CB ASP A 70 -3.098 -14.511 1.196 1.00 0.00 C ATOM 1064 CG ASP A 70 -4.234 -15.343 1.757 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -5.280 -14.759 2.106 1.00 0.00 O ATOM 1066 OD2 ASP A 70 -4.075 -16.579 1.846 1.00 0.00 O ATOM 0 H ASP A 70 -5.228 -13.311 0.896 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.727 -13.061 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.228 -15.149 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.811 -13.755 1.926 1.00 0.00 H new ATOM 1071 N SER A 71 -4.445 -15.750 -1.232 1.00 0.00 N ATOM 1072 CA SER A 71 -4.556 -16.783 -2.255 1.00 0.00 C ATOM 1073 C SER A 71 -3.176 -17.230 -2.727 1.00 0.00 C ATOM 1074 O SER A 71 -2.971 -17.509 -3.908 1.00 0.00 O ATOM 1075 CB SER A 71 -5.372 -16.268 -3.442 1.00 0.00 C ATOM 1076 OG SER A 71 -4.803 -15.086 -3.979 1.00 0.00 O ATOM 0 H SER A 71 -5.170 -15.787 -0.515 1.00 0.00 H new ATOM 0 HA SER A 71 -5.066 -17.641 -1.817 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.420 -17.036 -4.214 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.396 -16.071 -3.125 1.00 0.00 H new ATOM 0 HG SER A 71 -5.343 -14.778 -4.737 1.00 0.00 H new ATOM 1082 N GLY A 72 -2.230 -17.294 -1.795 1.00 0.00 N ATOM 1083 CA GLY A 72 -0.881 -17.707 -2.135 1.00 0.00 C ATOM 1084 C GLY A 72 -0.220 -18.501 -1.025 1.00 0.00 C ATOM 1085 O GLY A 72 0.531 -17.964 -0.211 1.00 0.00 O ATOM 0 H GLY A 72 -2.374 -17.067 -0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.907 -18.310 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.279 -16.825 -2.355 1.00 0.00 H new ATOM 1089 N PRO A 73 -0.504 -19.811 -0.980 1.00 0.00 N ATOM 1090 CA PRO A 73 0.058 -20.708 0.035 1.00 0.00 C ATOM 1091 C PRO A 73 1.553 -20.937 -0.157 1.00 0.00 C ATOM 1092 O PRO A 73 1.980 -21.507 -1.160 1.00 0.00 O ATOM 1093 CB PRO A 73 -0.714 -22.012 -0.178 1.00 0.00 C ATOM 1094 CG PRO A 73 -1.146 -21.968 -1.604 1.00 0.00 C ATOM 1095 CD PRO A 73 -1.391 -20.518 -1.918 1.00 0.00 C ATOM 0 HA PRO A 73 -0.040 -20.298 1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.086 -22.881 0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.570 -22.079 0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.379 -22.385 -2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.050 -22.558 -1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.148 -20.285 -2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.435 -20.245 -1.767 1.00 0.00 H new ATOM 1103 N SER A 74 2.344 -20.488 0.813 1.00 0.00 N ATOM 1104 CA SER A 74 3.793 -20.642 0.750 1.00 0.00 C ATOM 1105 C SER A 74 4.251 -21.829 1.592 1.00 0.00 C ATOM 1106 O SER A 74 3.463 -22.424 2.325 1.00 0.00 O ATOM 1107 CB SER A 74 4.484 -19.364 1.230 1.00 0.00 C ATOM 1108 OG SER A 74 4.072 -19.024 2.542 1.00 0.00 O ATOM 0 H SER A 74 2.006 -20.015 1.651 1.00 0.00 H new ATOM 0 HA SER A 74 4.069 -20.828 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.565 -19.501 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.254 -18.545 0.549 1.00 0.00 H new ATOM 0 HG SER A 74 4.529 -18.205 2.826 1.00 0.00 H new ATOM 1114 N SER A 75 5.531 -22.168 1.479 1.00 0.00 N ATOM 1115 CA SER A 75 6.095 -23.285 2.227 1.00 0.00 C ATOM 1116 C SER A 75 5.646 -23.246 3.684 1.00 0.00 C ATOM 1117 O SER A 75 5.288 -22.191 4.207 1.00 0.00 O ATOM 1118 CB SER A 75 7.623 -23.258 2.150 1.00 0.00 C ATOM 1119 OG SER A 75 8.068 -23.295 0.805 1.00 0.00 O ATOM 0 H SER A 75 6.197 -21.685 0.876 1.00 0.00 H new ATOM 0 HA SER A 75 5.732 -24.210 1.779 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.999 -22.357 2.636 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.033 -24.108 2.695 1.00 0.00 H new ATOM 0 HG SER A 75 9.048 -23.275 0.784 1.00 0.00 H new ATOM 1125 N GLY A 76 5.669 -24.405 4.335 1.00 0.00 N ATOM 1126 CA GLY A 76 5.263 -24.482 5.726 1.00 0.00 C ATOM 1127 C GLY A 76 6.417 -24.254 6.681 1.00 0.00 C ATOM 1128 O GLY A 76 6.344 -23.394 7.560 1.00 0.00 O ATOM 0 H GLY A 76 5.961 -25.292 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.487 -23.741 5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.824 -25.461 5.919 1.00 0.00 H new TER 1132 GLY A 76