USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 616 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 MET CE :methyl 156:sc= -0.233 (180deg=-0.919) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.94 (180deg=0.654) USER MOD Single : A 3 ASN : amide:sc= -0.56 K(o=-0.56,f=-2.7!) USER MOD Single : A 5 ASN :FLIP amide:sc= -1.64 F(o=-2.8!,f=-1.6) USER MOD Single : A 6 MET CE :methyl -176:sc= -2.76! (180deg=-3.04!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 157:sc= -0.239 (180deg=-0.822) USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= -0.0651 (180deg=-0.39) USER MOD Single : A 42 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.26) USER MOD Single : A 51 THR OG1 : rot 84:sc= 0.541 USER MOD Single : A 52 GLN : amide:sc= -3.4 K(o=-3.4,f=-4.3!) USER MOD Single : A 57 MET CE :methyl 165:sc= -0.0515 (180deg=-0.35) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -148:sc= -0.0172 (180deg=-0.428) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.751 -29.667 -1.828 1.00 0.00 N ATOM 2 CA MET A 1 -4.199 -28.366 -1.259 1.00 0.00 C ATOM 3 C MET A 1 -3.493 -27.178 -1.909 1.00 0.00 C ATOM 4 O MET A 1 -3.864 -26.027 -1.682 1.00 0.00 O ATOM 5 CB MET A 1 -3.948 -28.367 0.254 1.00 0.00 C ATOM 6 CG MET A 1 -4.811 -29.354 1.028 1.00 0.00 C ATOM 7 SD MET A 1 -4.313 -31.072 0.792 1.00 0.00 S ATOM 8 CE MET A 1 -2.663 -31.051 1.490 1.00 0.00 C ATOM 0 H1 MET A 1 -4.124 -30.446 -1.249 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.104 -29.760 -2.802 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.712 -29.705 -1.831 1.00 0.00 H new ATOM 0 HA MET A 1 -5.264 -28.255 -1.464 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.899 -28.598 0.437 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.126 -27.364 0.641 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.765 -29.112 2.090 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.850 -29.238 0.719 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.390 -32.057 1.810 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.954 -30.705 0.738 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.639 -30.379 2.348 1.00 0.00 H new ATOM 20 N GLU A 2 -2.479 -27.459 -2.717 1.00 0.00 N ATOM 21 CA GLU A 2 -1.728 -26.407 -3.394 1.00 0.00 C ATOM 22 C GLU A 2 -2.611 -25.651 -4.387 1.00 0.00 C ATOM 23 O GLU A 2 -2.574 -24.425 -4.458 1.00 0.00 O ATOM 24 CB GLU A 2 -0.521 -27.002 -4.125 1.00 0.00 C ATOM 25 CG GLU A 2 0.421 -25.955 -4.700 1.00 0.00 C ATOM 26 CD GLU A 2 1.061 -25.094 -3.629 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.769 -25.650 -2.765 1.00 0.00 O ATOM 28 OE2 GLU A 2 0.854 -23.862 -3.656 1.00 0.00 O ATOM 0 H GLU A 2 -2.157 -28.405 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.381 -25.704 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.034 -27.638 -3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.876 -27.642 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.202 -26.452 -5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.129 -25.318 -5.392 1.00 0.00 H new ATOM 35 N ASN A 3 -3.391 -26.392 -5.165 1.00 0.00 N ATOM 36 CA ASN A 3 -4.269 -25.787 -6.164 1.00 0.00 C ATOM 37 C ASN A 3 -5.250 -24.808 -5.525 1.00 0.00 C ATOM 38 O ASN A 3 -5.326 -23.645 -5.919 1.00 0.00 O ATOM 39 CB ASN A 3 -5.033 -26.872 -6.928 1.00 0.00 C ATOM 40 CG ASN A 3 -5.938 -26.297 -8.002 1.00 0.00 C ATOM 41 OD1 ASN A 3 -6.860 -25.536 -7.711 1.00 0.00 O ATOM 42 ND2 ASN A 3 -5.677 -26.660 -9.253 1.00 0.00 N ATOM 0 H ASN A 3 -3.435 -27.410 -5.125 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.643 -25.231 -6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -4.321 -27.559 -7.386 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -5.631 -27.454 -6.226 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.252 -26.305 -10.017 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.902 -27.294 -9.449 1.00 0.00 H new ATOM 49 N LEU A 4 -6.001 -25.290 -4.548 1.00 0.00 N ATOM 50 CA LEU A 4 -6.988 -24.460 -3.863 1.00 0.00 C ATOM 51 C LEU A 4 -6.327 -23.378 -3.016 1.00 0.00 C ATOM 52 O LEU A 4 -6.838 -22.264 -2.933 1.00 0.00 O ATOM 53 CB LEU A 4 -7.948 -25.305 -3.013 1.00 0.00 C ATOM 54 CG LEU A 4 -7.311 -26.386 -2.135 1.00 0.00 C ATOM 55 CD1 LEU A 4 -8.258 -26.766 -1.007 1.00 0.00 C ATOM 56 CD2 LEU A 4 -6.972 -27.619 -2.965 1.00 0.00 C ATOM 0 H LEU A 4 -5.949 -26.251 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.574 -23.965 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.515 -24.633 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.663 -25.785 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.390 -25.988 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.796 -27.535 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.468 -25.887 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.189 -27.148 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.520 -28.376 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.882 -28.018 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.271 -27.345 -3.753 1.00 0.00 H new ATOM 68 N ASN A 5 -5.188 -23.681 -2.404 1.00 0.00 N ATOM 69 CA ASN A 5 -4.500 -22.675 -1.599 1.00 0.00 C ATOM 70 C ASN A 5 -3.845 -21.624 -2.487 1.00 0.00 C ATOM 71 O ASN A 5 -3.590 -20.504 -2.048 1.00 0.00 O ATOM 72 CB ASN A 5 -3.458 -23.303 -0.672 1.00 0.00 C ATOM 73 CG ASN A 5 -4.080 -23.941 0.554 1.00 0.00 C ATOM 74 OD1 ASN A 5 -3.738 -25.196 0.805 1.00 0.00 O flip ATOM 75 ND2 ASN A 5 -4.845 -23.303 1.278 1.00 0.00 N flip ATOM 0 H ASN A 5 -4.729 -24.591 -2.446 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.254 -22.192 -0.977 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.894 -24.056 -1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.748 -22.538 -0.358 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.081 -22.338 1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.243 -23.739 2.110 1.00 0.00 H new ATOM 82 N MET A 6 -3.584 -21.981 -3.741 1.00 0.00 N ATOM 83 CA MET A 6 -2.977 -21.046 -4.677 1.00 0.00 C ATOM 84 C MET A 6 -4.034 -20.123 -5.272 1.00 0.00 C ATOM 85 O MET A 6 -3.882 -18.900 -5.254 1.00 0.00 O ATOM 86 CB MET A 6 -2.249 -21.786 -5.798 1.00 0.00 C ATOM 87 CG MET A 6 -0.898 -22.354 -5.392 1.00 0.00 C ATOM 88 SD MET A 6 0.008 -23.056 -6.786 1.00 0.00 S ATOM 89 CE MET A 6 -1.193 -24.211 -7.448 1.00 0.00 C ATOM 0 H MET A 6 -3.782 -22.904 -4.128 1.00 0.00 H new ATOM 0 HA MET A 6 -2.251 -20.449 -4.126 1.00 0.00 H new ATOM 0 HB2 MET A 6 -2.882 -22.600 -6.152 1.00 0.00 H new ATOM 0 HB3 MET A 6 -2.107 -21.104 -6.637 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.300 -21.566 -4.934 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.045 -23.124 -4.634 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.746 -24.769 -8.270 1.00 0.00 H new ATOM 0 HE2 MET A 6 -1.502 -24.903 -6.665 1.00 0.00 H new ATOM 0 HE3 MET A 6 -2.062 -23.663 -7.812 1.00 0.00 H new ATOM 99 N ASP A 7 -5.105 -20.710 -5.798 1.00 0.00 N ATOM 100 CA ASP A 7 -6.173 -19.927 -6.394 1.00 0.00 C ATOM 101 C ASP A 7 -6.978 -19.192 -5.325 1.00 0.00 C ATOM 102 O ASP A 7 -7.389 -18.050 -5.532 1.00 0.00 O ATOM 103 CB ASP A 7 -7.085 -20.813 -7.244 1.00 0.00 C ATOM 104 CG ASP A 7 -7.722 -21.937 -6.453 1.00 0.00 C ATOM 105 OD1 ASP A 7 -7.426 -22.053 -5.250 1.00 0.00 O ATOM 106 OD2 ASP A 7 -8.513 -22.703 -7.042 1.00 0.00 O ATOM 0 H ASP A 7 -5.253 -21.719 -5.822 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.718 -19.180 -7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.869 -20.199 -7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.508 -21.236 -8.066 1.00 0.00 H new ATOM 111 N LEU A 8 -7.201 -19.836 -4.177 1.00 0.00 N ATOM 112 CA LEU A 8 -7.953 -19.199 -3.101 1.00 0.00 C ATOM 113 C LEU A 8 -7.179 -18.000 -2.573 1.00 0.00 C ATOM 114 O LEU A 8 -7.766 -16.994 -2.175 1.00 0.00 O ATOM 115 CB LEU A 8 -8.241 -20.196 -1.974 1.00 0.00 C ATOM 116 CG LEU A 8 -9.203 -19.721 -0.874 1.00 0.00 C ATOM 117 CD1 LEU A 8 -8.580 -18.619 -0.023 1.00 0.00 C ATOM 118 CD2 LEU A 8 -10.521 -19.254 -1.477 1.00 0.00 C ATOM 0 H LEU A 8 -6.877 -20.781 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.909 -18.856 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.650 -21.104 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.294 -20.467 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.402 -20.570 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.289 -18.308 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.673 -18.994 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.333 -17.767 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.188 -18.922 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.335 -18.428 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.985 -20.078 -2.019 1.00 0.00 H new ATOM 130 N LEU A 9 -5.853 -18.111 -2.583 1.00 0.00 N ATOM 131 CA LEU A 9 -4.994 -17.032 -2.116 1.00 0.00 C ATOM 132 C LEU A 9 -5.035 -15.874 -3.108 1.00 0.00 C ATOM 133 O LEU A 9 -5.386 -14.751 -2.747 1.00 0.00 O ATOM 134 CB LEU A 9 -3.566 -17.553 -1.912 1.00 0.00 C ATOM 135 CG LEU A 9 -2.568 -16.568 -1.289 1.00 0.00 C ATOM 136 CD1 LEU A 9 -2.127 -15.508 -2.291 1.00 0.00 C ATOM 137 CD2 LEU A 9 -3.164 -15.918 -0.051 1.00 0.00 C ATOM 0 H LEU A 9 -5.353 -18.938 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.354 -16.663 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.612 -18.440 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.176 -17.871 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.683 -17.133 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.421 -14.828 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.648 -15.990 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.996 -14.947 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.443 -15.223 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.070 -15.378 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.407 -16.687 0.682 1.00 0.00 H new ATOM 149 N TYR A 10 -4.714 -16.156 -4.376 1.00 0.00 N ATOM 150 CA TYR A 10 -4.748 -15.126 -5.418 1.00 0.00 C ATOM 151 C TYR A 10 -6.086 -14.412 -5.386 1.00 0.00 C ATOM 152 O TYR A 10 -6.164 -13.186 -5.316 1.00 0.00 O ATOM 153 CB TYR A 10 -4.589 -15.748 -6.809 1.00 0.00 C ATOM 154 CG TYR A 10 -3.357 -16.598 -7.014 1.00 0.00 C ATOM 155 CD1 TYR A 10 -2.285 -16.567 -6.131 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.273 -17.432 -8.117 1.00 0.00 C ATOM 157 CE1 TYR A 10 -1.166 -17.347 -6.343 1.00 0.00 C ATOM 158 CE2 TYR A 10 -2.159 -18.216 -8.338 1.00 0.00 C ATOM 159 CZ TYR A 10 -1.108 -18.171 -7.447 1.00 0.00 C ATOM 160 OH TYR A 10 0.005 -18.950 -7.662 1.00 0.00 O ATOM 0 H TYR A 10 -4.430 -17.080 -4.702 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.928 -14.433 -5.227 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.467 -16.360 -7.015 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.580 -14.945 -7.546 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.328 -15.923 -5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.095 -17.469 -8.817 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.340 -17.312 -5.648 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.111 -18.861 -9.203 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.115 -19.472 -8.483 1.00 0.00 H new ATOM 170 N MET A 11 -7.140 -15.210 -5.453 1.00 0.00 N ATOM 171 CA MET A 11 -8.496 -14.701 -5.447 1.00 0.00 C ATOM 172 C MET A 11 -8.767 -13.944 -4.154 1.00 0.00 C ATOM 173 O MET A 11 -9.427 -12.902 -4.157 1.00 0.00 O ATOM 174 CB MET A 11 -9.467 -15.861 -5.625 1.00 0.00 C ATOM 175 CG MET A 11 -10.843 -15.433 -6.096 1.00 0.00 C ATOM 176 SD MET A 11 -11.791 -14.582 -4.822 1.00 0.00 S ATOM 177 CE MET A 11 -13.324 -14.272 -5.694 1.00 0.00 C ATOM 0 H MET A 11 -7.076 -16.226 -5.513 1.00 0.00 H new ATOM 0 HA MET A 11 -8.633 -14.003 -6.273 1.00 0.00 H new ATOM 0 HB2 MET A 11 -9.049 -16.567 -6.343 1.00 0.00 H new ATOM 0 HB3 MET A 11 -9.565 -16.391 -4.677 1.00 0.00 H new ATOM 0 HG2 MET A 11 -10.737 -14.778 -6.961 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.397 -16.311 -6.427 1.00 0.00 H new ATOM 0 HE1 MET A 11 -14.018 -13.749 -5.036 1.00 0.00 H new ATOM 0 HE2 MET A 11 -13.125 -13.659 -6.573 1.00 0.00 H new ATOM 0 HE3 MET A 11 -13.764 -15.220 -6.005 1.00 0.00 H new ATOM 187 N ALA A 12 -8.228 -14.454 -3.052 1.00 0.00 N ATOM 188 CA ALA A 12 -8.389 -13.802 -1.760 1.00 0.00 C ATOM 189 C ALA A 12 -7.746 -12.433 -1.797 1.00 0.00 C ATOM 190 O ALA A 12 -8.236 -11.503 -1.180 1.00 0.00 O ATOM 191 CB ALA A 12 -7.790 -14.648 -0.646 1.00 0.00 C ATOM 0 H ALA A 12 -7.678 -15.313 -3.028 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.453 -13.689 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.923 -14.139 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.291 -15.616 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.726 -14.796 -0.833 1.00 0.00 H new ATOM 197 N ALA A 13 -6.658 -12.311 -2.549 1.00 0.00 N ATOM 198 CA ALA A 13 -5.974 -11.037 -2.686 1.00 0.00 C ATOM 199 C ALA A 13 -6.861 -10.057 -3.435 1.00 0.00 C ATOM 200 O ALA A 13 -6.924 -8.882 -3.102 1.00 0.00 O ATOM 201 CB ALA A 13 -4.651 -11.221 -3.412 1.00 0.00 C ATOM 0 H ALA A 13 -6.234 -13.078 -3.071 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.765 -10.637 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.151 -10.257 -3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.018 -11.905 -2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.835 -11.633 -4.404 1.00 0.00 H new ATOM 207 N ALA A 14 -7.570 -10.550 -4.441 1.00 0.00 N ATOM 208 CA ALA A 14 -8.469 -9.699 -5.203 1.00 0.00 C ATOM 209 C ALA A 14 -9.562 -9.163 -4.287 1.00 0.00 C ATOM 210 O ALA A 14 -9.797 -7.956 -4.221 1.00 0.00 O ATOM 211 CB ALA A 14 -9.070 -10.465 -6.373 1.00 0.00 C ATOM 0 H ALA A 14 -7.540 -11.523 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.906 -8.859 -5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.740 -9.811 -6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.272 -10.812 -7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.629 -11.322 -5.998 1.00 0.00 H new ATOM 217 N VAL A 15 -10.206 -10.072 -3.559 1.00 0.00 N ATOM 218 CA VAL A 15 -11.258 -9.699 -2.621 1.00 0.00 C ATOM 219 C VAL A 15 -10.689 -8.840 -1.497 1.00 0.00 C ATOM 220 O VAL A 15 -11.196 -7.763 -1.211 1.00 0.00 O ATOM 221 CB VAL A 15 -11.929 -10.948 -2.015 1.00 0.00 C ATOM 222 CG1 VAL A 15 -13.080 -10.556 -1.098 1.00 0.00 C ATOM 223 CG2 VAL A 15 -12.408 -11.872 -3.122 1.00 0.00 C ATOM 0 H VAL A 15 -10.016 -11.073 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.006 -9.129 -3.173 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.192 -11.480 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -13.537 -11.454 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -12.703 -9.933 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -13.825 -10.000 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.880 -12.751 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.129 -11.347 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.558 -12.182 -3.730 1.00 0.00 H new ATOM 233 N MET A 16 -9.626 -9.331 -0.873 1.00 0.00 N ATOM 234 CA MET A 16 -8.965 -8.617 0.222 1.00 0.00 C ATOM 235 C MET A 16 -8.465 -7.249 -0.217 1.00 0.00 C ATOM 236 O MET A 16 -8.786 -6.228 0.390 1.00 0.00 O ATOM 237 CB MET A 16 -7.789 -9.444 0.762 1.00 0.00 C ATOM 238 CG MET A 16 -8.122 -10.246 2.007 1.00 0.00 C ATOM 239 SD MET A 16 -9.440 -11.445 1.736 1.00 0.00 S ATOM 240 CE MET A 16 -9.530 -12.216 3.350 1.00 0.00 C ATOM 0 H MET A 16 -9.198 -10.227 -1.106 1.00 0.00 H new ATOM 0 HA MET A 16 -9.705 -8.471 1.009 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.449 -10.126 -0.017 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.958 -8.774 0.984 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.227 -10.768 2.347 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.416 -9.564 2.805 1.00 0.00 H new ATOM 0 HE1 MET A 16 -10.303 -12.984 3.344 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.569 -12.671 3.590 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.773 -11.463 4.100 1.00 0.00 H new ATOM 250 N MET A 17 -7.659 -7.241 -1.259 1.00 0.00 N ATOM 251 CA MET A 17 -7.096 -6.004 -1.777 1.00 0.00 C ATOM 252 C MET A 17 -8.201 -5.086 -2.272 1.00 0.00 C ATOM 253 O MET A 17 -8.163 -3.881 -2.043 1.00 0.00 O ATOM 254 CB MET A 17 -6.106 -6.284 -2.913 1.00 0.00 C ATOM 255 CG MET A 17 -4.912 -7.127 -2.492 1.00 0.00 C ATOM 256 SD MET A 17 -3.697 -7.318 -3.811 1.00 0.00 S ATOM 257 CE MET A 17 -3.206 -5.614 -4.072 1.00 0.00 C ATOM 0 H MET A 17 -7.376 -8.079 -1.768 1.00 0.00 H new ATOM 0 HA MET A 17 -6.560 -5.513 -0.964 1.00 0.00 H new ATOM 0 HB2 MET A 17 -6.630 -6.792 -3.723 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.747 -5.335 -3.312 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.434 -6.667 -1.627 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.260 -8.111 -2.178 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.217 -5.586 -4.529 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.924 -5.125 -4.731 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.178 -5.093 -3.115 1.00 0.00 H new ATOM 267 N GLY A 18 -9.189 -5.669 -2.948 1.00 0.00 N ATOM 268 CA GLY A 18 -10.296 -4.890 -3.471 1.00 0.00 C ATOM 269 C GLY A 18 -11.164 -4.309 -2.378 1.00 0.00 C ATOM 270 O GLY A 18 -11.426 -3.110 -2.363 1.00 0.00 O ATOM 0 H GLY A 18 -9.241 -6.669 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.907 -4.081 -4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.906 -5.521 -4.118 1.00 0.00 H new ATOM 274 N LEU A 19 -11.609 -5.160 -1.460 1.00 0.00 N ATOM 275 CA LEU A 19 -12.453 -4.723 -0.357 1.00 0.00 C ATOM 276 C LEU A 19 -11.719 -3.673 0.463 1.00 0.00 C ATOM 277 O LEU A 19 -12.275 -2.623 0.811 1.00 0.00 O ATOM 278 CB LEU A 19 -12.839 -5.926 0.513 1.00 0.00 C ATOM 279 CG LEU A 19 -11.703 -6.560 1.318 1.00 0.00 C ATOM 280 CD1 LEU A 19 -11.451 -5.787 2.606 1.00 0.00 C ATOM 281 CD2 LEU A 19 -12.016 -8.017 1.622 1.00 0.00 C ATOM 0 H LEU A 19 -11.398 -6.158 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.367 -4.279 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.619 -5.613 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.273 -6.691 -0.131 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.795 -6.518 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.639 -6.258 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.178 -4.759 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.355 -5.790 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.198 -8.453 2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.937 -8.078 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.137 -8.566 0.688 1.00 0.00 H new ATOM 293 N ALA A 20 -10.452 -3.952 0.741 1.00 0.00 N ATOM 294 CA ALA A 20 -9.627 -3.030 1.489 1.00 0.00 C ATOM 295 C ALA A 20 -9.394 -1.777 0.667 1.00 0.00 C ATOM 296 O ALA A 20 -9.253 -0.690 1.212 1.00 0.00 O ATOM 297 CB ALA A 20 -8.308 -3.676 1.871 1.00 0.00 C ATOM 0 H ALA A 20 -9.979 -4.810 0.457 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.143 -2.759 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.703 -2.964 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.498 -4.556 2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.774 -3.973 0.969 1.00 0.00 H new ATOM 303 N ALA A 21 -9.382 -1.934 -0.657 1.00 0.00 N ATOM 304 CA ALA A 21 -9.194 -0.797 -1.549 1.00 0.00 C ATOM 305 C ALA A 21 -10.409 0.106 -1.487 1.00 0.00 C ATOM 306 O ALA A 21 -10.293 1.331 -1.490 1.00 0.00 O ATOM 307 CB ALA A 21 -8.942 -1.248 -2.982 1.00 0.00 C ATOM 0 H ALA A 21 -9.499 -2.830 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.314 -0.245 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.806 -0.375 -3.620 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.044 -1.866 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.795 -1.827 -3.336 1.00 0.00 H new ATOM 313 N ILE A 22 -11.575 -0.514 -1.404 1.00 0.00 N ATOM 314 CA ILE A 22 -12.825 0.224 -1.315 1.00 0.00 C ATOM 315 C ILE A 22 -12.845 1.047 -0.038 1.00 0.00 C ATOM 316 O ILE A 22 -12.960 2.270 -0.082 1.00 0.00 O ATOM 317 CB ILE A 22 -14.054 -0.708 -1.340 1.00 0.00 C ATOM 318 CG1 ILE A 22 -14.031 -1.581 -2.591 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.343 0.101 -1.281 1.00 0.00 C ATOM 320 CD1 ILE A 22 -14.026 -0.790 -3.881 1.00 0.00 C ATOM 0 H ILE A 22 -11.682 -1.528 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.882 0.875 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.014 -1.354 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -13.148 -2.219 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.900 -2.239 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.198 -0.575 -1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.363 0.686 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.392 0.771 -2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -14.009 -1.476 -4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.922 -0.172 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.143 -0.152 -3.913 1.00 0.00 H new ATOM 332 N GLY A 23 -12.708 0.373 1.102 1.00 0.00 N ATOM 333 CA GLY A 23 -12.693 1.082 2.370 1.00 0.00 C ATOM 334 C GLY A 23 -11.521 2.039 2.452 1.00 0.00 C ATOM 335 O GLY A 23 -11.676 3.208 2.822 1.00 0.00 O ATOM 0 H GLY A 23 -12.608 -0.640 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.625 1.634 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.638 0.365 3.189 1.00 0.00 H new ATOM 339 N ALA A 24 -10.343 1.537 2.091 1.00 0.00 N ATOM 340 CA ALA A 24 -9.128 2.337 2.101 1.00 0.00 C ATOM 341 C ALA A 24 -9.288 3.561 1.219 1.00 0.00 C ATOM 342 O ALA A 24 -8.814 4.642 1.555 1.00 0.00 O ATOM 343 CB ALA A 24 -7.941 1.510 1.633 1.00 0.00 C ATOM 0 H ALA A 24 -10.207 0.573 1.786 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.945 2.665 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.041 2.125 1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.808 0.656 2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.122 1.155 0.618 1.00 0.00 H new ATOM 349 N ALA A 25 -9.960 3.375 0.084 1.00 0.00 N ATOM 350 CA ALA A 25 -10.191 4.460 -0.858 1.00 0.00 C ATOM 351 C ALA A 25 -11.122 5.503 -0.260 1.00 0.00 C ATOM 352 O ALA A 25 -10.879 6.706 -0.371 1.00 0.00 O ATOM 353 CB ALA A 25 -10.767 3.919 -2.159 1.00 0.00 C ATOM 0 H ALA A 25 -10.354 2.479 -0.203 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.235 4.937 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.934 4.743 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.067 3.209 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.713 3.417 -1.957 1.00 0.00 H new ATOM 359 N ILE A 26 -12.186 5.036 0.383 1.00 0.00 N ATOM 360 CA ILE A 26 -13.150 5.930 1.002 1.00 0.00 C ATOM 361 C ILE A 26 -12.486 6.825 2.046 1.00 0.00 C ATOM 362 O ILE A 26 -12.637 8.042 2.005 1.00 0.00 O ATOM 363 CB ILE A 26 -14.312 5.155 1.642 1.00 0.00 C ATOM 364 CG1 ILE A 26 -15.087 4.411 0.559 1.00 0.00 C ATOM 365 CG2 ILE A 26 -15.236 6.092 2.410 1.00 0.00 C ATOM 366 CD1 ILE A 26 -15.560 5.297 -0.575 1.00 0.00 C ATOM 0 H ILE A 26 -12.400 4.044 0.488 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.553 6.559 0.208 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.904 4.435 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -14.456 3.622 0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -15.951 3.926 1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -16.050 5.518 2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.674 6.592 3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -15.647 6.837 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.102 4.696 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -16.219 6.071 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -14.700 5.762 -1.056 1.00 0.00 H new ATOM 378 N GLY A 27 -11.755 6.221 2.984 1.00 0.00 N ATOM 379 CA GLY A 27 -11.098 7.006 4.021 1.00 0.00 C ATOM 380 C GLY A 27 -9.994 7.891 3.481 1.00 0.00 C ATOM 381 O GLY A 27 -9.938 9.084 3.795 1.00 0.00 O ATOM 0 H GLY A 27 -11.607 5.214 3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.840 7.626 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.683 6.333 4.771 1.00 0.00 H new ATOM 385 N ILE A 28 -9.107 7.327 2.659 1.00 0.00 N ATOM 386 CA ILE A 28 -8.028 8.118 2.088 1.00 0.00 C ATOM 387 C ILE A 28 -8.613 9.354 1.443 1.00 0.00 C ATOM 388 O ILE A 28 -8.163 10.470 1.674 1.00 0.00 O ATOM 389 CB ILE A 28 -7.206 7.336 1.052 1.00 0.00 C ATOM 390 CG1 ILE A 28 -8.077 6.823 -0.087 1.00 0.00 C ATOM 391 CG2 ILE A 28 -6.473 6.185 1.720 1.00 0.00 C ATOM 392 CD1 ILE A 28 -7.283 6.139 -1.179 1.00 0.00 C ATOM 0 H ILE A 28 -9.117 6.346 2.381 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.350 8.387 2.898 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.475 8.021 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.812 6.124 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.631 7.657 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.895 5.640 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.802 6.576 2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.196 5.512 2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.960 5.796 -1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.566 6.842 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.750 5.285 -0.761 1.00 0.00 H new ATOM 404 N GLY A 29 -9.660 9.136 0.674 1.00 0.00 N ATOM 405 CA GLY A 29 -10.350 10.234 0.041 1.00 0.00 C ATOM 406 C GLY A 29 -10.932 11.160 1.086 1.00 0.00 C ATOM 407 O GLY A 29 -10.923 12.379 0.926 1.00 0.00 O ATOM 0 H GLY A 29 -10.048 8.214 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.661 10.785 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.145 9.852 -0.600 1.00 0.00 H new ATOM 411 N ILE A 30 -11.417 10.570 2.183 1.00 0.00 N ATOM 412 CA ILE A 30 -11.980 11.348 3.277 1.00 0.00 C ATOM 413 C ILE A 30 -10.941 12.332 3.814 1.00 0.00 C ATOM 414 O ILE A 30 -10.980 13.514 3.487 1.00 0.00 O ATOM 415 CB ILE A 30 -12.500 10.437 4.424 1.00 0.00 C ATOM 416 CG1 ILE A 30 -13.778 9.723 3.991 1.00 0.00 C ATOM 417 CG2 ILE A 30 -12.763 11.246 5.689 1.00 0.00 C ATOM 418 CD1 ILE A 30 -14.259 8.695 4.990 1.00 0.00 C ATOM 0 H ILE A 30 -11.429 9.561 2.331 1.00 0.00 H new ATOM 0 HA ILE A 30 -12.832 11.903 2.884 1.00 0.00 H new ATOM 0 HB ILE A 30 -11.730 9.697 4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -14.563 10.462 3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.605 9.234 3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.126 10.584 6.475 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.839 11.723 6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.513 12.010 5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -15.171 8.226 4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -13.490 7.935 5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.463 9.182 5.943 1.00 0.00 H new ATOM 430 N LEU A 31 -9.997 11.836 4.608 1.00 0.00 N ATOM 431 CA LEU A 31 -8.945 12.687 5.167 1.00 0.00 C ATOM 432 C LEU A 31 -8.038 13.222 4.066 1.00 0.00 C ATOM 433 O LEU A 31 -7.735 14.420 4.013 1.00 0.00 O ATOM 434 CB LEU A 31 -8.114 11.907 6.187 1.00 0.00 C ATOM 435 CG LEU A 31 -6.958 12.691 6.814 1.00 0.00 C ATOM 436 CD1 LEU A 31 -7.479 13.910 7.563 1.00 0.00 C ATOM 437 CD2 LEU A 31 -6.149 11.796 7.743 1.00 0.00 C ATOM 0 H LEU A 31 -9.936 10.855 4.879 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.424 13.530 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.774 11.562 6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.710 11.019 5.701 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.304 13.037 6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.642 14.453 8.001 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.012 14.562 6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.157 13.589 8.354 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.331 12.369 8.180 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.793 11.419 8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.742 10.958 7.178 1.00 0.00 H new ATOM 449 N GLY A 32 -7.606 12.327 3.184 1.00 0.00 N ATOM 450 CA GLY A 32 -6.744 12.730 2.094 1.00 0.00 C ATOM 451 C GLY A 32 -7.357 13.856 1.295 1.00 0.00 C ATOM 452 O GLY A 32 -6.706 14.860 1.040 1.00 0.00 O ATOM 0 H GLY A 32 -7.838 11.334 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.778 13.046 2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.558 11.877 1.441 1.00 0.00 H new ATOM 456 N GLY A 33 -8.623 13.697 0.918 1.00 0.00 N ATOM 457 CA GLY A 33 -9.305 14.733 0.164 1.00 0.00 C ATOM 458 C GLY A 33 -9.367 16.036 0.934 1.00 0.00 C ATOM 459 O GLY A 33 -9.258 17.114 0.355 1.00 0.00 O ATOM 0 H GLY A 33 -9.187 12.871 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.789 14.894 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.316 14.403 -0.076 1.00 0.00 H new ATOM 463 N LYS A 34 -9.531 15.929 2.250 1.00 0.00 N ATOM 464 CA LYS A 34 -9.595 17.102 3.112 1.00 0.00 C ATOM 465 C LYS A 34 -8.315 17.918 3.003 1.00 0.00 C ATOM 466 O LYS A 34 -8.329 19.059 2.535 1.00 0.00 O ATOM 467 CB LYS A 34 -9.831 16.681 4.568 1.00 0.00 C ATOM 468 CG LYS A 34 -11.200 16.073 4.816 1.00 0.00 C ATOM 469 CD LYS A 34 -12.317 17.050 4.489 1.00 0.00 C ATOM 470 CE LYS A 34 -13.684 16.410 4.673 1.00 0.00 C ATOM 471 NZ LYS A 34 -13.857 15.207 3.812 1.00 0.00 N ATOM 0 H LYS A 34 -9.622 15.040 2.742 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.430 17.722 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.066 15.960 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.708 17.551 5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.314 15.174 4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.278 15.767 5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.235 17.927 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.211 17.396 3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.815 16.130 5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.460 17.139 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.868 14.972 3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.482 15.403 2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.343 14.405 4.229 1.00 0.00 H new ATOM 485 N PHE A 35 -7.202 17.329 3.429 1.00 0.00 N ATOM 486 CA PHE A 35 -5.917 18.016 3.367 1.00 0.00 C ATOM 487 C PHE A 35 -5.568 18.320 1.919 1.00 0.00 C ATOM 488 O PHE A 35 -5.059 19.392 1.592 1.00 0.00 O ATOM 489 CB PHE A 35 -4.819 17.156 3.987 1.00 0.00 C ATOM 490 CG PHE A 35 -3.702 17.971 4.572 1.00 0.00 C ATOM 491 CD1 PHE A 35 -3.907 18.722 5.718 1.00 0.00 C ATOM 492 CD2 PHE A 35 -2.460 18.011 3.963 1.00 0.00 C ATOM 493 CE1 PHE A 35 -2.892 19.495 6.247 1.00 0.00 C ATOM 494 CE2 PHE A 35 -1.439 18.780 4.489 1.00 0.00 C ATOM 495 CZ PHE A 35 -1.656 19.523 5.632 1.00 0.00 C ATOM 0 H PHE A 35 -7.163 16.387 3.817 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.993 18.947 3.929 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.252 16.529 4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.415 16.487 3.227 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.872 18.703 6.203 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.286 17.435 3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.065 20.077 7.140 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.473 18.800 4.007 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.860 20.125 6.045 1.00 0.00 H new ATOM 505 N LEU A 36 -5.861 17.356 1.059 1.00 0.00 N ATOM 506 CA LEU A 36 -5.604 17.482 -0.371 1.00 0.00 C ATOM 507 C LEU A 36 -6.321 18.700 -0.940 1.00 0.00 C ATOM 508 O LEU A 36 -5.771 19.427 -1.764 1.00 0.00 O ATOM 509 CB LEU A 36 -6.072 16.217 -1.097 1.00 0.00 C ATOM 510 CG LEU A 36 -5.804 16.181 -2.599 1.00 0.00 C ATOM 511 CD1 LEU A 36 -4.319 16.017 -2.870 1.00 0.00 C ATOM 512 CD2 LEU A 36 -6.598 15.062 -3.256 1.00 0.00 C ATOM 0 H LEU A 36 -6.282 16.467 1.329 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.532 17.609 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.586 15.356 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.144 16.102 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.128 17.128 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.146 15.993 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.775 16.854 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.969 15.085 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.394 15.052 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.307 14.106 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.663 15.226 -3.091 1.00 0.00 H new ATOM 524 N GLU A 37 -7.553 18.916 -0.491 1.00 0.00 N ATOM 525 CA GLU A 37 -8.350 20.046 -0.958 1.00 0.00 C ATOM 526 C GLU A 37 -7.785 21.370 -0.443 1.00 0.00 C ATOM 527 O GLU A 37 -7.474 22.273 -1.224 1.00 0.00 O ATOM 528 CB GLU A 37 -9.803 19.881 -0.503 1.00 0.00 C ATOM 529 CG GLU A 37 -10.723 21.000 -0.963 1.00 0.00 C ATOM 530 CD GLU A 37 -12.142 20.822 -0.461 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.339 20.813 0.773 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.058 20.688 -1.301 1.00 0.00 O ATOM 0 H GLU A 37 -8.021 18.324 0.195 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.312 20.064 -2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.185 18.932 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.829 19.827 0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.333 21.955 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.728 21.039 -2.052 1.00 0.00 H new ATOM 539 N GLY A 38 -7.664 21.482 0.877 1.00 0.00 N ATOM 540 CA GLY A 38 -7.149 22.704 1.475 1.00 0.00 C ATOM 541 C GLY A 38 -5.757 23.065 0.985 1.00 0.00 C ATOM 542 O GLY A 38 -5.523 24.182 0.509 1.00 0.00 O ATOM 0 H GLY A 38 -7.913 20.751 1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.830 23.525 1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.128 22.591 2.559 1.00 0.00 H new ATOM 546 N ALA A 39 -4.829 22.125 1.116 1.00 0.00 N ATOM 547 CA ALA A 39 -3.451 22.342 0.698 1.00 0.00 C ATOM 548 C ALA A 39 -3.369 22.751 -0.766 1.00 0.00 C ATOM 549 O ALA A 39 -2.411 23.391 -1.186 1.00 0.00 O ATOM 550 CB ALA A 39 -2.627 21.089 0.937 1.00 0.00 C ATOM 0 H ALA A 39 -5.008 21.201 1.510 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.046 23.158 1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.599 21.264 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.643 20.840 1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.047 20.262 0.364 1.00 0.00 H new ATOM 556 N ALA A 40 -4.362 22.362 -1.548 1.00 0.00 N ATOM 557 CA ALA A 40 -4.367 22.690 -2.963 1.00 0.00 C ATOM 558 C ALA A 40 -4.914 24.086 -3.191 1.00 0.00 C ATOM 559 O ALA A 40 -4.434 24.817 -4.058 1.00 0.00 O ATOM 560 CB ALA A 40 -5.162 21.665 -3.741 1.00 0.00 C ATOM 0 H ALA A 40 -5.168 21.824 -1.231 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.339 22.670 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.155 21.926 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.715 20.680 -3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.190 21.649 -3.378 1.00 0.00 H new ATOM 566 N ARG A 41 -5.914 24.460 -2.405 1.00 0.00 N ATOM 567 CA ARG A 41 -6.502 25.779 -2.527 1.00 0.00 C ATOM 568 C ARG A 41 -5.704 26.796 -1.713 1.00 0.00 C ATOM 569 O ARG A 41 -5.973 27.996 -1.771 1.00 0.00 O ATOM 570 CB ARG A 41 -7.958 25.754 -2.067 1.00 0.00 C ATOM 571 CG ARG A 41 -8.136 25.378 -0.606 1.00 0.00 C ATOM 572 CD ARG A 41 -9.606 25.248 -0.243 1.00 0.00 C ATOM 573 NE ARG A 41 -9.797 24.899 1.162 1.00 0.00 N ATOM 574 CZ ARG A 41 -10.982 24.622 1.701 1.00 0.00 C ATOM 575 NH1 ARG A 41 -12.081 24.653 0.956 1.00 0.00 N ATOM 576 NH2 ARG A 41 -11.070 24.314 2.987 1.00 0.00 N ATOM 0 H ARG A 41 -6.330 23.872 -1.683 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.473 26.077 -3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.399 26.737 -2.235 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.512 25.046 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.625 24.436 -0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.669 26.134 0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.116 26.188 -0.455 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.068 24.486 -0.871 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.975 24.866 1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.019 24.890 -0.034 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.987 24.440 1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.229 24.289 3.564 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.978 24.102 3.400 1.00 0.00 H new ATOM 590 N GLN A 42 -4.722 26.312 -0.948 1.00 0.00 N ATOM 591 CA GLN A 42 -3.895 27.190 -0.134 1.00 0.00 C ATOM 592 C GLN A 42 -2.933 28.015 -1.026 1.00 0.00 C ATOM 593 O GLN A 42 -3.408 28.917 -1.718 1.00 0.00 O ATOM 594 CB GLN A 42 -3.187 26.377 0.947 1.00 0.00 C ATOM 595 CG GLN A 42 -2.549 27.236 2.035 1.00 0.00 C ATOM 596 CD GLN A 42 -3.561 28.090 2.774 1.00 0.00 C ATOM 597 OE1 GLN A 42 -4.455 27.576 3.447 1.00 0.00 O ATOM 598 NE2 GLN A 42 -3.425 29.406 2.646 1.00 0.00 N ATOM 0 H GLN A 42 -4.485 25.322 -0.879 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.519 27.920 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.904 25.696 1.406 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.416 25.762 0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.035 26.591 2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.793 27.881 1.587 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.669 29.788 2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.077 30.034 3.116 1.00 0.00 H new ATOM 607 N PRO A 43 -1.583 27.779 -1.064 1.00 0.00 N ATOM 608 CA PRO A 43 -0.694 28.567 -1.901 1.00 0.00 C ATOM 609 C PRO A 43 -0.299 27.848 -3.185 1.00 0.00 C ATOM 610 O PRO A 43 -0.697 28.249 -4.278 1.00 0.00 O ATOM 611 CB PRO A 43 0.522 28.740 -0.989 1.00 0.00 C ATOM 612 CG PRO A 43 0.525 27.530 -0.095 1.00 0.00 C ATOM 613 CD PRO A 43 -0.774 26.786 -0.337 1.00 0.00 C ATOM 0 HA PRO A 43 -1.150 29.497 -2.241 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.443 28.802 -1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.449 29.659 -0.407 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.380 26.891 -0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.609 27.825 0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.619 25.881 -0.924 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.247 26.483 0.597 1.00 0.00 H new ATOM 621 N ASP A 44 0.484 26.787 -3.047 1.00 0.00 N ATOM 622 CA ASP A 44 0.933 26.022 -4.195 1.00 0.00 C ATOM 623 C ASP A 44 1.357 24.619 -3.783 1.00 0.00 C ATOM 624 O ASP A 44 2.297 24.062 -4.345 1.00 0.00 O ATOM 625 CB ASP A 44 2.098 26.736 -4.882 1.00 0.00 C ATOM 626 CG ASP A 44 3.306 26.877 -3.972 1.00 0.00 C ATOM 627 OD1 ASP A 44 3.834 25.838 -3.523 1.00 0.00 O ATOM 628 OD2 ASP A 44 3.721 28.024 -3.710 1.00 0.00 O ATOM 0 H ASP A 44 0.820 26.439 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 44 0.100 25.939 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.383 26.183 -5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.774 27.724 -5.208 1.00 0.00 H new ATOM 633 N LEU A 45 0.650 24.038 -2.813 1.00 0.00 N ATOM 634 CA LEU A 45 0.967 22.687 -2.362 1.00 0.00 C ATOM 635 C LEU A 45 0.496 21.653 -3.391 1.00 0.00 C ATOM 636 O LEU A 45 0.398 20.463 -3.097 1.00 0.00 O ATOM 637 CB LEU A 45 0.320 22.414 -1.005 1.00 0.00 C ATOM 638 CG LEU A 45 0.697 23.394 0.105 1.00 0.00 C ATOM 639 CD1 LEU A 45 -0.095 23.096 1.369 1.00 0.00 C ATOM 640 CD2 LEU A 45 2.190 23.333 0.384 1.00 0.00 C ATOM 0 H LEU A 45 -0.135 24.476 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 45 2.049 22.604 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.763 22.428 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.592 21.408 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 45 0.450 24.403 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.186 23.803 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.161 23.189 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.122 22.082 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.441 24.037 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.461 22.324 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.740 23.594 -0.520 1.00 0.00 H new ATOM 652 N ILE A 46 0.211 22.119 -4.606 1.00 0.00 N ATOM 653 CA ILE A 46 -0.242 21.251 -5.684 1.00 0.00 C ATOM 654 C ILE A 46 0.629 19.998 -5.792 1.00 0.00 C ATOM 655 O ILE A 46 0.110 18.899 -5.941 1.00 0.00 O ATOM 656 CB ILE A 46 -0.253 21.988 -7.030 1.00 0.00 C ATOM 657 CG1 ILE A 46 -0.993 23.329 -6.894 1.00 0.00 C ATOM 658 CG2 ILE A 46 -0.905 21.123 -8.099 1.00 0.00 C ATOM 659 CD1 ILE A 46 -0.991 24.167 -8.153 1.00 0.00 C ATOM 0 H ILE A 46 0.288 23.102 -4.867 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.261 20.951 -5.442 1.00 0.00 H new ATOM 0 HB ILE A 46 0.775 22.189 -7.330 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.025 23.134 -6.602 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.537 23.903 -6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.906 21.658 -9.049 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.345 20.194 -8.206 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.931 20.897 -7.808 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.533 25.095 -7.973 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.036 24.396 -8.436 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.475 23.615 -8.958 1.00 0.00 H new ATOM 671 N PRO A 47 1.970 20.127 -5.716 1.00 0.00 N ATOM 672 CA PRO A 47 2.846 18.959 -5.791 1.00 0.00 C ATOM 673 C PRO A 47 2.725 18.130 -4.520 1.00 0.00 C ATOM 674 O PRO A 47 2.869 16.901 -4.535 1.00 0.00 O ATOM 675 CB PRO A 47 4.247 19.556 -5.929 1.00 0.00 C ATOM 676 CG PRO A 47 4.147 20.917 -5.330 1.00 0.00 C ATOM 677 CD PRO A 47 2.731 21.382 -5.546 1.00 0.00 C ATOM 0 HA PRO A 47 2.600 18.291 -6.616 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.988 18.949 -5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.554 19.606 -6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.388 20.891 -4.267 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.855 21.600 -5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.366 21.959 -4.697 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.650 22.021 -6.425 1.00 0.00 H new ATOM 685 N LEU A 48 2.414 18.816 -3.421 1.00 0.00 N ATOM 686 CA LEU A 48 2.217 18.159 -2.142 1.00 0.00 C ATOM 687 C LEU A 48 1.013 17.243 -2.262 1.00 0.00 C ATOM 688 O LEU A 48 0.955 16.172 -1.661 1.00 0.00 O ATOM 689 CB LEU A 48 1.970 19.195 -1.046 1.00 0.00 C ATOM 690 CG LEU A 48 1.761 18.624 0.353 1.00 0.00 C ATOM 691 CD1 LEU A 48 3.042 17.988 0.869 1.00 0.00 C ATOM 692 CD2 LEU A 48 1.274 19.712 1.299 1.00 0.00 C ATOM 0 H LEU A 48 2.294 19.829 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 48 3.106 17.587 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.817 19.880 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.093 19.783 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 48 0.998 17.847 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.872 17.587 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.343 17.181 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.831 18.739 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.129 19.291 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.015 20.510 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.329 20.115 0.934 1.00 0.00 H new ATOM 704 N LEU A 49 0.061 17.685 -3.080 1.00 0.00 N ATOM 705 CA LEU A 49 -1.153 16.938 -3.342 1.00 0.00 C ATOM 706 C LEU A 49 -0.834 15.488 -3.665 1.00 0.00 C ATOM 707 O LEU A 49 -1.160 14.584 -2.900 1.00 0.00 O ATOM 708 CB LEU A 49 -1.902 17.575 -4.515 1.00 0.00 C ATOM 709 CG LEU A 49 -2.422 18.989 -4.274 1.00 0.00 C ATOM 710 CD1 LEU A 49 -3.374 19.391 -5.391 1.00 0.00 C ATOM 711 CD2 LEU A 49 -3.102 19.103 -2.914 1.00 0.00 C ATOM 0 H LEU A 49 0.116 18.574 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.778 16.963 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.239 17.593 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.746 16.936 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.573 19.672 -4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.740 20.402 -5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.849 19.360 -6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.216 18.699 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.462 20.122 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.943 18.411 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.388 18.857 -2.128 1.00 0.00 H new ATOM 723 N ARG A 50 -0.193 15.280 -4.808 1.00 0.00 N ATOM 724 CA ARG A 50 0.172 13.952 -5.245 1.00 0.00 C ATOM 725 C ARG A 50 1.129 13.295 -4.257 1.00 0.00 C ATOM 726 O ARG A 50 0.945 12.139 -3.884 1.00 0.00 O ATOM 727 CB ARG A 50 0.800 14.026 -6.633 1.00 0.00 C ATOM 728 CG ARG A 50 -0.154 14.551 -7.693 1.00 0.00 C ATOM 729 CD ARG A 50 0.471 14.523 -9.080 1.00 0.00 C ATOM 730 NE ARG A 50 -0.475 14.944 -10.113 1.00 0.00 N ATOM 731 CZ ARG A 50 -1.581 14.272 -10.425 1.00 0.00 C ATOM 732 NH1 ARG A 50 -1.868 13.126 -9.820 1.00 0.00 N ATOM 733 NH2 ARG A 50 -2.401 14.742 -11.356 1.00 0.00 N ATOM 0 H ARG A 50 0.083 16.024 -5.448 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.728 13.338 -5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.679 14.669 -6.593 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.144 13.033 -6.923 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.064 13.951 -7.692 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.445 15.572 -7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.343 15.176 -9.098 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.823 13.515 -9.299 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.275 15.803 -10.625 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.239 12.753 -9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.718 12.618 -10.066 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.184 15.618 -11.832 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.249 14.228 -11.596 1.00 0.00 H new ATOM 747 N THR A 51 2.151 14.036 -3.827 1.00 0.00 N ATOM 748 CA THR A 51 3.124 13.496 -2.879 1.00 0.00 C ATOM 749 C THR A 51 2.432 12.988 -1.613 1.00 0.00 C ATOM 750 O THR A 51 2.794 11.950 -1.074 1.00 0.00 O ATOM 751 CB THR A 51 4.172 14.550 -2.521 1.00 0.00 C ATOM 752 OG1 THR A 51 4.885 14.955 -3.675 1.00 0.00 O ATOM 753 CG2 THR A 51 5.186 14.070 -1.504 1.00 0.00 C ATOM 0 H THR A 51 2.325 14.999 -4.116 1.00 0.00 H new ATOM 0 HA THR A 51 3.625 12.654 -3.358 1.00 0.00 H new ATOM 0 HB THR A 51 3.611 15.378 -2.087 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.380 15.652 -4.143 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.899 14.868 -1.297 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.674 13.792 -0.583 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.716 13.204 -1.900 1.00 0.00 H new ATOM 761 N GLN A 52 1.425 13.716 -1.148 1.00 0.00 N ATOM 762 CA GLN A 52 0.688 13.305 0.045 1.00 0.00 C ATOM 763 C GLN A 52 -0.418 12.326 -0.333 1.00 0.00 C ATOM 764 O GLN A 52 -0.833 11.501 0.477 1.00 0.00 O ATOM 765 CB GLN A 52 0.102 14.517 0.776 1.00 0.00 C ATOM 766 CG GLN A 52 1.162 15.452 1.336 1.00 0.00 C ATOM 767 CD GLN A 52 0.603 16.442 2.340 1.00 0.00 C ATOM 768 OE1 GLN A 52 -0.264 17.253 2.017 1.00 0.00 O ATOM 769 NE2 GLN A 52 1.104 16.380 3.569 1.00 0.00 N ATOM 0 H GLN A 52 1.101 14.585 -1.572 1.00 0.00 H new ATOM 0 HA GLN A 52 1.384 12.809 0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.537 15.073 0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.533 14.169 1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.945 14.862 1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.628 15.998 0.516 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.822 15.691 3.793 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.770 17.021 4.289 1.00 0.00 H new ATOM 778 N PHE A 53 -0.881 12.421 -1.575 1.00 0.00 N ATOM 779 CA PHE A 53 -1.933 11.544 -2.071 1.00 0.00 C ATOM 780 C PHE A 53 -1.482 10.088 -2.012 1.00 0.00 C ATOM 781 O PHE A 53 -2.160 9.248 -1.421 1.00 0.00 O ATOM 782 CB PHE A 53 -2.307 11.926 -3.509 1.00 0.00 C ATOM 783 CG PHE A 53 -3.454 11.133 -4.070 1.00 0.00 C ATOM 784 CD1 PHE A 53 -3.316 9.782 -4.347 1.00 0.00 C ATOM 785 CD2 PHE A 53 -4.677 11.739 -4.312 1.00 0.00 C ATOM 786 CE1 PHE A 53 -4.374 9.052 -4.854 1.00 0.00 C ATOM 787 CE2 PHE A 53 -5.737 11.013 -4.821 1.00 0.00 C ATOM 788 CZ PHE A 53 -5.586 9.669 -5.092 1.00 0.00 C ATOM 0 H PHE A 53 -0.542 13.099 -2.258 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.812 11.661 -1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.561 12.985 -3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.436 11.789 -4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.370 9.294 -4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.803 12.791 -4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.253 8.000 -5.064 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.684 11.498 -5.007 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.414 9.101 -5.489 1.00 0.00 H new ATOM 798 N PHE A 54 -0.330 9.790 -2.616 1.00 0.00 N ATOM 799 CA PHE A 54 0.185 8.423 -2.623 1.00 0.00 C ATOM 800 C PHE A 54 0.611 7.997 -1.214 1.00 0.00 C ATOM 801 O PHE A 54 0.512 6.822 -0.863 1.00 0.00 O ATOM 802 CB PHE A 54 1.332 8.263 -3.643 1.00 0.00 C ATOM 803 CG PHE A 54 2.701 8.609 -3.134 1.00 0.00 C ATOM 804 CD1 PHE A 54 3.036 9.911 -2.832 1.00 0.00 C ATOM 805 CD2 PHE A 54 3.649 7.619 -2.952 1.00 0.00 C ATOM 806 CE1 PHE A 54 4.292 10.222 -2.357 1.00 0.00 C ATOM 807 CE2 PHE A 54 4.905 7.925 -2.478 1.00 0.00 C ATOM 808 CZ PHE A 54 5.225 9.228 -2.178 1.00 0.00 C ATOM 0 H PHE A 54 0.257 10.469 -3.101 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.618 7.757 -2.939 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.343 7.230 -3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.116 8.890 -4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.307 10.696 -2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.401 6.594 -3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.543 11.247 -2.125 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.637 7.143 -2.342 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.208 9.471 -1.802 1.00 0.00 H new ATOM 818 N ILE A 55 1.051 8.960 -0.396 1.00 0.00 N ATOM 819 CA ILE A 55 1.441 8.661 0.983 1.00 0.00 C ATOM 820 C ILE A 55 0.215 8.229 1.781 1.00 0.00 C ATOM 821 O ILE A 55 0.167 7.126 2.323 1.00 0.00 O ATOM 822 CB ILE A 55 2.078 9.880 1.699 1.00 0.00 C ATOM 823 CG1 ILE A 55 3.376 10.314 1.016 1.00 0.00 C ATOM 824 CG2 ILE A 55 2.345 9.557 3.165 1.00 0.00 C ATOM 825 CD1 ILE A 55 4.491 9.292 1.116 1.00 0.00 C ATOM 0 H ILE A 55 1.145 9.940 -0.662 1.00 0.00 H new ATOM 0 HA ILE A 55 2.184 7.865 0.935 1.00 0.00 H new ATOM 0 HB ILE A 55 1.369 10.706 1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.173 10.514 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.713 11.251 1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.792 10.423 3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.406 9.307 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.028 8.710 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.378 9.671 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.723 9.108 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.174 8.361 0.646 1.00 0.00 H new ATOM 837 N VAL A 56 -0.779 9.112 1.839 1.00 0.00 N ATOM 838 CA VAL A 56 -2.014 8.839 2.565 1.00 0.00 C ATOM 839 C VAL A 56 -2.667 7.551 2.078 1.00 0.00 C ATOM 840 O VAL A 56 -3.079 6.718 2.877 1.00 0.00 O ATOM 841 CB VAL A 56 -3.028 9.997 2.418 1.00 0.00 C ATOM 842 CG1 VAL A 56 -4.316 9.682 3.166 1.00 0.00 C ATOM 843 CG2 VAL A 56 -2.430 11.309 2.909 1.00 0.00 C ATOM 0 H VAL A 56 -0.751 10.027 1.389 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.741 8.734 3.615 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.264 10.107 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.016 10.509 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.759 8.772 2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.097 9.538 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.163 12.108 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.157 11.214 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.541 11.545 2.324 1.00 0.00 H new ATOM 853 N MET A 57 -2.757 7.391 0.763 1.00 0.00 N ATOM 854 CA MET A 57 -3.363 6.199 0.185 1.00 0.00 C ATOM 855 C MET A 57 -2.484 4.984 0.422 1.00 0.00 C ATOM 856 O MET A 57 -2.974 3.867 0.586 1.00 0.00 O ATOM 857 CB MET A 57 -3.597 6.390 -1.316 1.00 0.00 C ATOM 858 CG MET A 57 -4.241 5.188 -1.988 1.00 0.00 C ATOM 859 SD MET A 57 -4.626 5.475 -3.727 1.00 0.00 S ATOM 860 CE MET A 57 -2.986 5.681 -4.417 1.00 0.00 C ATOM 0 H MET A 57 -2.419 8.069 0.080 1.00 0.00 H new ATOM 0 HA MET A 57 -4.324 6.036 0.673 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.230 7.264 -1.468 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.643 6.599 -1.800 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.572 4.331 -1.906 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.157 4.929 -1.457 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.035 5.600 -5.503 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.597 6.662 -4.144 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.326 4.907 -4.025 1.00 0.00 H new ATOM 870 N GLY A 58 -1.184 5.218 0.430 1.00 0.00 N ATOM 871 CA GLY A 58 -0.234 4.145 0.634 1.00 0.00 C ATOM 872 C GLY A 58 -0.225 3.625 2.059 1.00 0.00 C ATOM 873 O GLY A 58 -0.174 2.415 2.276 1.00 0.00 O ATOM 0 H GLY A 58 -0.765 6.139 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.469 3.325 -0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.765 4.497 0.375 1.00 0.00 H new ATOM 877 N LEU A 59 -0.275 4.528 3.035 1.00 0.00 N ATOM 878 CA LEU A 59 -0.273 4.116 4.429 1.00 0.00 C ATOM 879 C LEU A 59 -1.543 3.335 4.749 1.00 0.00 C ATOM 880 O LEU A 59 -1.532 2.430 5.583 1.00 0.00 O ATOM 881 CB LEU A 59 -0.097 5.327 5.356 1.00 0.00 C ATOM 882 CG LEU A 59 -1.161 6.422 5.253 1.00 0.00 C ATOM 883 CD1 LEU A 59 -2.433 6.005 5.971 1.00 0.00 C ATOM 884 CD2 LEU A 59 -0.634 7.731 5.823 1.00 0.00 C ATOM 0 H LEU A 59 -0.317 5.536 2.886 1.00 0.00 H new ATOM 0 HA LEU A 59 0.576 3.455 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.073 4.969 6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.875 5.775 5.152 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.396 6.572 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.176 6.798 5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.823 5.092 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.214 5.825 7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.403 8.499 5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.370 7.591 6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.249 8.042 5.265 1.00 0.00 H new ATOM 896 N VAL A 60 -2.624 3.646 4.034 1.00 0.00 N ATOM 897 CA VAL A 60 -3.884 2.933 4.210 1.00 0.00 C ATOM 898 C VAL A 60 -3.806 1.590 3.494 1.00 0.00 C ATOM 899 O VAL A 60 -4.119 0.545 4.066 1.00 0.00 O ATOM 900 CB VAL A 60 -5.085 3.742 3.661 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.383 2.969 3.821 1.00 0.00 C ATOM 902 CG2 VAL A 60 -5.195 5.090 4.355 1.00 0.00 C ATOM 0 H VAL A 60 -2.650 4.384 3.331 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.042 2.786 5.278 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.910 3.910 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.210 3.560 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.316 2.029 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.556 2.762 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.046 5.639 3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.336 4.938 5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.282 5.661 4.187 1.00 0.00 H new ATOM 912 N ASP A 61 -3.361 1.628 2.239 1.00 0.00 N ATOM 913 CA ASP A 61 -3.210 0.427 1.435 1.00 0.00 C ATOM 914 C ASP A 61 -2.010 -0.397 1.890 1.00 0.00 C ATOM 915 O ASP A 61 -1.818 -1.535 1.451 1.00 0.00 O ATOM 916 CB ASP A 61 -3.058 0.803 -0.037 1.00 0.00 C ATOM 917 CG ASP A 61 -4.355 1.315 -0.636 1.00 0.00 C ATOM 918 OD1 ASP A 61 -5.361 0.576 -0.590 1.00 0.00 O ATOM 919 OD2 ASP A 61 -4.364 2.450 -1.154 1.00 0.00 O ATOM 0 H ASP A 61 -3.098 2.488 1.758 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.105 -0.182 1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.287 1.567 -0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.719 -0.067 -0.599 1.00 0.00 H new ATOM 924 N ALA A 62 -1.208 0.164 2.785 1.00 0.00 N ATOM 925 CA ALA A 62 -0.057 -0.553 3.298 1.00 0.00 C ATOM 926 C ALA A 62 -0.521 -1.811 4.020 1.00 0.00 C ATOM 927 O ALA A 62 0.173 -2.825 4.031 1.00 0.00 O ATOM 928 CB ALA A 62 0.758 0.333 4.228 1.00 0.00 C ATOM 0 H ALA A 62 -1.334 1.102 3.165 1.00 0.00 H new ATOM 0 HA ALA A 62 0.584 -0.839 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.617 -0.225 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.105 1.211 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.137 0.648 5.067 1.00 0.00 H new ATOM 934 N ILE A 63 -1.715 -1.745 4.608 1.00 0.00 N ATOM 935 CA ILE A 63 -2.268 -2.885 5.317 1.00 0.00 C ATOM 936 C ILE A 63 -2.471 -4.065 4.360 1.00 0.00 C ATOM 937 O ILE A 63 -1.842 -5.108 4.543 1.00 0.00 O ATOM 938 CB ILE A 63 -3.571 -2.528 6.069 1.00 0.00 C ATOM 939 CG1 ILE A 63 -3.281 -1.455 7.120 1.00 0.00 C ATOM 940 CG2 ILE A 63 -4.177 -3.764 6.718 1.00 0.00 C ATOM 941 CD1 ILE A 63 -4.492 -1.072 7.942 1.00 0.00 C ATOM 0 H ILE A 63 -2.310 -0.917 4.605 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.547 -3.184 6.077 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.295 -2.138 5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.498 -1.814 7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.893 -0.566 6.623 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.093 -3.488 7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.406 -4.503 5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.467 -4.187 7.428 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.213 -0.307 8.667 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.270 -0.683 7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.867 -1.950 8.468 1.00 0.00 H new ATOM 953 N PRO A 64 -3.326 -3.951 3.313 1.00 0.00 N ATOM 954 CA PRO A 64 -3.505 -5.055 2.371 1.00 0.00 C ATOM 955 C PRO A 64 -2.194 -5.382 1.684 1.00 0.00 C ATOM 956 O PRO A 64 -1.968 -6.509 1.249 1.00 0.00 O ATOM 957 CB PRO A 64 -4.524 -4.531 1.355 1.00 0.00 C ATOM 958 CG PRO A 64 -5.185 -3.385 2.031 1.00 0.00 C ATOM 959 CD PRO A 64 -4.157 -2.788 2.945 1.00 0.00 C ATOM 0 HA PRO A 64 -3.839 -5.969 2.861 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.036 -4.217 0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.247 -5.302 1.087 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.532 -2.651 1.303 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.059 -3.716 2.592 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.572 -2.016 2.445 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.614 -2.326 3.820 1.00 0.00 H new ATOM 967 N MET A 65 -1.321 -4.385 1.613 1.00 0.00 N ATOM 968 CA MET A 65 -0.017 -4.558 1.008 1.00 0.00 C ATOM 969 C MET A 65 0.838 -5.448 1.901 1.00 0.00 C ATOM 970 O MET A 65 1.679 -6.208 1.423 1.00 0.00 O ATOM 971 CB MET A 65 0.645 -3.198 0.818 1.00 0.00 C ATOM 972 CG MET A 65 2.026 -3.268 0.205 1.00 0.00 C ATOM 973 SD MET A 65 2.025 -4.014 -1.436 1.00 0.00 S ATOM 974 CE MET A 65 3.766 -3.923 -1.848 1.00 0.00 C ATOM 0 H MET A 65 -1.499 -3.446 1.970 1.00 0.00 H new ATOM 0 HA MET A 65 -0.122 -5.032 0.032 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.008 -2.580 0.185 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.712 -2.700 1.785 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.442 -2.262 0.142 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.681 -3.843 0.860 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.928 -4.347 -2.839 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.087 -2.881 -1.842 1.00 0.00 H new ATOM 0 HE3 MET A 65 4.343 -4.485 -1.114 1.00 0.00 H new ATOM 984 N ILE A 66 0.586 -5.361 3.206 1.00 0.00 N ATOM 985 CA ILE A 66 1.301 -6.170 4.186 1.00 0.00 C ATOM 986 C ILE A 66 0.734 -7.583 4.194 1.00 0.00 C ATOM 987 O ILE A 66 1.478 -8.563 4.176 1.00 0.00 O ATOM 988 CB ILE A 66 1.208 -5.546 5.601 1.00 0.00 C ATOM 989 CG1 ILE A 66 2.051 -4.273 5.673 1.00 0.00 C ATOM 990 CG2 ILE A 66 1.653 -6.527 6.681 1.00 0.00 C ATOM 991 CD1 ILE A 66 1.869 -3.500 6.961 1.00 0.00 C ATOM 0 H ILE A 66 -0.111 -4.735 3.608 1.00 0.00 H new ATOM 0 HA ILE A 66 2.354 -6.204 3.905 1.00 0.00 H new ATOM 0 HB ILE A 66 0.162 -5.299 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.103 -4.537 5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.794 -3.629 4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.573 -6.052 7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.016 -7.411 6.654 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.688 -6.819 6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.497 -2.609 6.943 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.825 -3.205 7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.154 -4.128 7.805 1.00 0.00 H new ATOM 1003 N ALA A 67 -0.593 -7.679 4.202 1.00 0.00 N ATOM 1004 CA ALA A 67 -1.257 -8.970 4.194 1.00 0.00 C ATOM 1005 C ALA A 67 -0.969 -9.697 2.891 1.00 0.00 C ATOM 1006 O ALA A 67 -0.445 -10.811 2.888 1.00 0.00 O ATOM 1007 CB ALA A 67 -2.756 -8.801 4.394 1.00 0.00 C ATOM 0 H ALA A 67 -1.224 -6.878 4.214 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.870 -9.568 5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.237 -9.779 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.943 -8.314 5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.164 -8.189 3.589 1.00 0.00 H new ATOM 1013 N VAL A 68 -1.295 -9.045 1.782 1.00 0.00 N ATOM 1014 CA VAL A 68 -1.054 -9.615 0.467 1.00 0.00 C ATOM 1015 C VAL A 68 0.438 -9.797 0.244 1.00 0.00 C ATOM 1016 O VAL A 68 0.878 -10.839 -0.228 1.00 0.00 O ATOM 1017 CB VAL A 68 -1.631 -8.723 -0.649 1.00 0.00 C ATOM 1018 CG1 VAL A 68 -1.456 -9.383 -2.010 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -3.096 -8.417 -0.378 1.00 0.00 C ATOM 0 H VAL A 68 -1.727 -8.121 1.769 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.556 -10.582 0.429 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.081 -7.782 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.870 -8.737 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.395 -9.545 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.977 -10.340 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.489 -7.786 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.661 -9.348 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.189 -7.897 0.576 1.00 0.00 H new ATOM 1029 N GLY A 69 1.214 -8.778 0.604 1.00 0.00 N ATOM 1030 CA GLY A 69 2.656 -8.852 0.445 1.00 0.00 C ATOM 1031 C GLY A 69 3.258 -10.005 1.224 1.00 0.00 C ATOM 1032 O GLY A 69 4.096 -10.744 0.708 1.00 0.00 O ATOM 0 H GLY A 69 0.871 -7.904 1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.898 -8.964 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.105 -7.916 0.778 1.00 0.00 H new ATOM 1036 N LEU A 70 2.831 -10.158 2.473 1.00 0.00 N ATOM 1037 CA LEU A 70 3.335 -11.231 3.319 1.00 0.00 C ATOM 1038 C LEU A 70 2.918 -12.575 2.748 1.00 0.00 C ATOM 1039 O LEU A 70 3.717 -13.510 2.675 1.00 0.00 O ATOM 1040 CB LEU A 70 2.806 -11.077 4.748 1.00 0.00 C ATOM 1041 CG LEU A 70 3.512 -11.935 5.804 1.00 0.00 C ATOM 1042 CD1 LEU A 70 3.210 -13.412 5.599 1.00 0.00 C ATOM 1043 CD2 LEU A 70 5.013 -11.687 5.764 1.00 0.00 C ATOM 0 H LEU A 70 2.140 -9.555 2.919 1.00 0.00 H new ATOM 0 HA LEU A 70 4.423 -11.177 3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.891 -10.030 5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.744 -11.324 4.753 1.00 0.00 H new ATOM 0 HG LEU A 70 3.134 -11.648 6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.723 -13.998 6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.135 -13.578 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.555 -13.720 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.504 -12.302 6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.398 -11.946 4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.213 -10.635 5.967 1.00 0.00 H new ATOM 1055 N GLY A 71 1.657 -12.663 2.343 1.00 0.00 N ATOM 1056 CA GLY A 71 1.146 -13.898 1.776 1.00 0.00 C ATOM 1057 C GLY A 71 1.829 -14.265 0.470 1.00 0.00 C ATOM 1058 O GLY A 71 2.213 -15.413 0.267 1.00 0.00 O ATOM 0 H GLY A 71 0.979 -11.903 2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.282 -14.707 2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.074 -13.800 1.606 1.00 0.00 H new ATOM 1062 N LEU A 72 1.979 -13.285 -0.418 1.00 0.00 N ATOM 1063 CA LEU A 72 2.615 -13.513 -1.712 1.00 0.00 C ATOM 1064 C LEU A 72 4.090 -13.844 -1.534 1.00 0.00 C ATOM 1065 O LEU A 72 4.658 -14.627 -2.295 1.00 0.00 O ATOM 1066 CB LEU A 72 2.447 -12.291 -2.621 1.00 0.00 C ATOM 1067 CG LEU A 72 3.071 -10.996 -2.110 1.00 0.00 C ATOM 1068 CD1 LEU A 72 4.588 -11.029 -2.253 1.00 0.00 C ATOM 1069 CD2 LEU A 72 2.487 -9.800 -2.848 1.00 0.00 C ATOM 0 H LEU A 72 1.669 -12.326 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 72 2.125 -14.364 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.880 -12.522 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.382 -12.122 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 72 2.836 -10.898 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.009 -10.095 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.990 -11.862 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.852 -11.154 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.942 -8.883 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.691 -9.896 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.410 -9.763 -2.686 1.00 0.00 H new ATOM 1081 N TYR A 73 4.699 -13.258 -0.509 1.00 0.00 N ATOM 1082 CA TYR A 73 6.107 -13.494 -0.215 1.00 0.00 C ATOM 1083 C TYR A 73 6.364 -14.986 -0.063 1.00 0.00 C ATOM 1084 O TYR A 73 7.306 -15.532 -0.633 1.00 0.00 O ATOM 1085 CB TYR A 73 6.509 -12.766 1.072 1.00 0.00 C ATOM 1086 CG TYR A 73 7.951 -12.991 1.467 1.00 0.00 C ATOM 1087 CD1 TYR A 73 8.986 -12.330 0.817 1.00 0.00 C ATOM 1088 CD2 TYR A 73 8.275 -13.889 2.476 1.00 0.00 C ATOM 1089 CE1 TYR A 73 10.306 -12.558 1.164 1.00 0.00 C ATOM 1090 CE2 TYR A 73 9.591 -14.119 2.831 1.00 0.00 C ATOM 1091 CZ TYR A 73 10.602 -13.452 2.172 1.00 0.00 C ATOM 1092 OH TYR A 73 11.913 -13.681 2.521 1.00 0.00 O ATOM 0 H TYR A 73 4.238 -12.614 0.134 1.00 0.00 H new ATOM 0 HA TYR A 73 6.705 -13.110 -1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.338 -11.697 0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.862 -13.097 1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.757 -11.628 0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.486 -14.416 2.992 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.100 -12.039 0.648 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.826 -14.818 3.620 1.00 0.00 H new ATOM 0 HH TYR A 73 11.948 -14.337 3.249 1.00 0.00 H new ATOM 1102 N VAL A 74 5.502 -15.637 0.706 1.00 0.00 N ATOM 1103 CA VAL A 74 5.607 -17.069 0.940 1.00 0.00 C ATOM 1104 C VAL A 74 4.899 -17.843 -0.167 1.00 0.00 C ATOM 1105 O VAL A 74 5.282 -18.960 -0.512 1.00 0.00 O ATOM 1106 CB VAL A 74 4.987 -17.454 2.300 1.00 0.00 C ATOM 1107 CG1 VAL A 74 5.165 -18.940 2.583 1.00 0.00 C ATOM 1108 CG2 VAL A 74 5.590 -16.618 3.418 1.00 0.00 C ATOM 0 H VAL A 74 4.717 -15.191 1.181 1.00 0.00 H new ATOM 0 HA VAL A 74 6.666 -17.326 0.946 1.00 0.00 H new ATOM 0 HB VAL A 74 3.918 -17.248 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.719 -19.183 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.676 -19.520 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.228 -19.182 2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.140 -16.904 4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.666 -16.788 3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.396 -15.562 3.228 1.00 0.00 H new ATOM 1118 N MET A 75 3.853 -17.241 -0.717 1.00 0.00 N ATOM 1119 CA MET A 75 3.082 -17.878 -1.770 1.00 0.00 C ATOM 1120 C MET A 75 3.829 -17.901 -3.102 1.00 0.00 C ATOM 1121 O MET A 75 4.349 -18.937 -3.508 1.00 0.00 O ATOM 1122 CB MET A 75 1.737 -17.176 -1.919 1.00 0.00 C ATOM 1123 CG MET A 75 0.777 -17.486 -0.784 1.00 0.00 C ATOM 1124 SD MET A 75 0.160 -19.179 -0.835 1.00 0.00 S ATOM 1125 CE MET A 75 -0.807 -19.234 0.671 1.00 0.00 C ATOM 0 H MET A 75 3.521 -16.314 -0.450 1.00 0.00 H new ATOM 0 HA MET A 75 2.920 -18.917 -1.482 1.00 0.00 H new ATOM 0 HB2 MET A 75 1.899 -16.099 -1.967 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.281 -17.472 -2.864 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.280 -17.316 0.168 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.065 -16.796 -0.828 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.778 -20.242 1.086 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.394 -18.532 1.395 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.839 -18.962 0.451 1.00 0.00 H new ATOM 1135 N PHE A 76 3.883 -16.762 -3.785 1.00 0.00 N ATOM 1136 CA PHE A 76 4.557 -16.692 -5.081 1.00 0.00 C ATOM 1137 C PHE A 76 6.041 -17.044 -4.991 1.00 0.00 C ATOM 1138 O PHE A 76 6.617 -17.551 -5.952 1.00 0.00 O ATOM 1139 CB PHE A 76 4.406 -15.298 -5.704 1.00 0.00 C ATOM 1140 CG PHE A 76 3.020 -14.989 -6.200 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.363 -15.857 -7.060 1.00 0.00 C ATOM 1142 CD2 PHE A 76 2.375 -13.831 -5.810 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.090 -15.572 -7.513 1.00 0.00 C ATOM 1144 CE2 PHE A 76 1.104 -13.539 -6.260 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.459 -14.412 -7.112 1.00 0.00 C ATOM 0 H PHE A 76 3.474 -15.883 -3.469 1.00 0.00 H new ATOM 0 HA PHE A 76 4.072 -17.434 -5.715 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.690 -14.549 -4.964 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.106 -15.206 -6.535 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.852 -16.765 -7.379 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.874 -13.144 -5.143 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.588 -16.257 -8.181 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.615 -12.629 -5.946 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.537 -14.188 -7.464 1.00 0.00 H new ATOM 1155 N ALA A 77 6.666 -16.761 -3.853 1.00 0.00 N ATOM 1156 CA ALA A 77 8.087 -17.038 -3.688 1.00 0.00 C ATOM 1157 C ALA A 77 8.344 -18.403 -3.068 1.00 0.00 C ATOM 1158 O ALA A 77 9.018 -19.247 -3.658 1.00 0.00 O ATOM 1159 CB ALA A 77 8.747 -15.947 -2.860 1.00 0.00 C ATOM 0 H ALA A 77 6.215 -16.344 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 77 8.529 -17.050 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.808 -16.169 -2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.629 -14.987 -3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.278 -15.902 -1.877 1.00 0.00 H new ATOM 1165 N VAL A 78 7.828 -18.602 -1.869 1.00 0.00 N ATOM 1166 CA VAL A 78 8.024 -19.857 -1.156 1.00 0.00 C ATOM 1167 C VAL A 78 7.032 -20.934 -1.604 1.00 0.00 C ATOM 1168 O VAL A 78 7.141 -22.088 -1.192 1.00 0.00 O ATOM 1169 CB VAL A 78 7.932 -19.662 0.376 1.00 0.00 C ATOM 1170 CG1 VAL A 78 8.106 -20.986 1.107 1.00 0.00 C ATOM 1171 CG2 VAL A 78 8.973 -18.656 0.844 1.00 0.00 C ATOM 0 H VAL A 78 7.270 -17.912 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 78 9.029 -20.197 -1.405 1.00 0.00 H new ATOM 0 HB VAL A 78 6.940 -19.275 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.037 -20.820 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.324 -21.679 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.082 -21.409 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.896 -18.529 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.969 -19.019 0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.800 -17.698 0.353 1.00 0.00 H new ATOM 1181 N ALA A 79 6.074 -20.569 -2.455 1.00 0.00 N ATOM 1182 CA ALA A 79 5.096 -21.540 -2.945 1.00 0.00 C ATOM 1183 C ALA A 79 4.862 -21.376 -4.443 1.00 0.00 C ATOM 1184 O ALA A 79 4.504 -22.330 -5.134 1.00 0.00 O ATOM 1185 CB ALA A 79 3.785 -21.414 -2.185 1.00 0.00 C ATOM 0 H ALA A 79 5.954 -19.622 -2.815 1.00 0.00 H new ATOM 0 HA ALA A 79 5.501 -22.537 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.072 -22.145 -2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.960 -21.596 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.382 -20.410 -2.319 1.00 0.00 H new TER 1191 ALA A 79