USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=10 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0861 (180deg=-0.0876) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl -159:sc= -0.187 (180deg=-0.775) USER MOD Single : A 10 TYR OH : rot 144:sc= -1.4 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 157:sc= -11.5! (180deg=-12.9!) USER MOD Single : A 17 MET CE :methyl -156:sc= -0.234 (180deg=-0.979) USER MOD Single : A 34 LYS NZ :NH3+ -133:sc= -0.82 (180deg=-2.93!) USER MOD Single : A 42 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.6!) USER MOD Single : A 51 THR OG1 : rot 101:sc= 0.845 USER MOD Single : A 52 GLN : amide:sc= -9.88! C(o=-9.9!,f=-11!) USER MOD Single : A 57 MET CE :methyl 165:sc= -2.56! (180deg=-3.11!) USER MOD Single : A 65 MET CE :methyl 165:sc= -0.0634 (180deg=-0.421) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.629 -29.480 1.966 1.00 0.00 N ATOM 2 CA MET A 1 -6.917 -28.025 2.080 1.00 0.00 C ATOM 3 C MET A 1 -5.777 -27.174 1.520 1.00 0.00 C ATOM 4 O MET A 1 -5.867 -25.948 1.489 1.00 0.00 O ATOM 5 CB MET A 1 -7.153 -27.695 3.556 1.00 0.00 C ATOM 6 CG MET A 1 -7.475 -26.233 3.816 1.00 0.00 C ATOM 7 SD MET A 1 -7.792 -25.893 5.558 1.00 0.00 S ATOM 8 CE MET A 1 -8.107 -24.130 5.508 1.00 0.00 C ATOM 0 H1 MET A 1 -7.481 -30.023 2.213 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.347 -29.703 0.990 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.857 -29.733 2.615 1.00 0.00 H new ATOM 0 HA MET A 1 -7.804 -27.792 1.491 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.973 -28.309 3.929 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.265 -27.968 4.126 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.644 -25.615 3.474 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.348 -25.947 3.229 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.320 -23.770 6.514 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.230 -23.615 5.116 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.963 -23.931 4.863 1.00 0.00 H new ATOM 20 N GLU A 2 -4.709 -27.827 1.074 1.00 0.00 N ATOM 21 CA GLU A 2 -3.561 -27.121 0.518 1.00 0.00 C ATOM 22 C GLU A 2 -3.947 -26.353 -0.741 1.00 0.00 C ATOM 23 O GLU A 2 -3.669 -25.158 -0.865 1.00 0.00 O ATOM 24 CB GLU A 2 -2.434 -28.108 0.207 1.00 0.00 C ATOM 25 CG GLU A 2 -1.914 -28.842 1.432 1.00 0.00 C ATOM 26 CD GLU A 2 -0.783 -29.797 1.103 1.00 0.00 C ATOM 27 OE1 GLU A 2 0.257 -29.332 0.593 1.00 0.00 O ATOM 28 OE2 GLU A 2 -0.938 -31.010 1.357 1.00 0.00 O ATOM 0 H GLU A 2 -4.615 -28.843 1.087 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.212 -26.404 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.792 -28.838 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.610 -27.570 -0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.569 -28.115 2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.731 -29.397 1.892 1.00 0.00 H new ATOM 35 N ASN A 3 -4.589 -27.046 -1.675 1.00 0.00 N ATOM 36 CA ASN A 3 -5.012 -26.423 -2.920 1.00 0.00 C ATOM 37 C ASN A 3 -6.088 -25.381 -2.658 1.00 0.00 C ATOM 38 O ASN A 3 -6.105 -24.322 -3.281 1.00 0.00 O ATOM 39 CB ASN A 3 -5.530 -27.476 -3.903 1.00 0.00 C ATOM 40 CG ASN A 3 -4.466 -28.488 -4.281 1.00 0.00 C ATOM 41 OD1 ASN A 3 -3.413 -28.131 -4.808 1.00 0.00 O ATOM 42 ND2 ASN A 3 -4.739 -29.760 -4.014 1.00 0.00 N ATOM 0 H ASN A 3 -4.826 -28.035 -1.593 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.147 -25.929 -3.362 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -6.380 -27.995 -3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -5.893 -26.981 -4.804 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -4.062 -30.487 -4.247 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.625 -30.010 -3.576 1.00 0.00 H new ATOM 49 N LEU A 4 -6.980 -25.686 -1.723 1.00 0.00 N ATOM 50 CA LEU A 4 -8.057 -24.770 -1.371 1.00 0.00 C ATOM 51 C LEU A 4 -7.507 -23.573 -0.605 1.00 0.00 C ATOM 52 O LEU A 4 -8.009 -22.460 -0.736 1.00 0.00 O ATOM 53 CB LEU A 4 -9.122 -25.488 -0.541 1.00 0.00 C ATOM 54 CG LEU A 4 -9.753 -26.709 -1.216 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.789 -27.348 -0.305 1.00 0.00 C ATOM 56 CD2 LEU A 4 -10.379 -26.319 -2.548 1.00 0.00 C ATOM 0 H LEU A 4 -6.979 -26.559 -1.196 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.519 -24.412 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.675 -25.803 0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.912 -24.777 -0.298 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.967 -27.440 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.226 -28.214 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.312 -27.665 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.573 -26.624 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.822 -27.199 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.152 -25.569 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.611 -25.909 -3.205 1.00 0.00 H new ATOM 68 N ASN A 5 -6.455 -23.802 0.174 1.00 0.00 N ATOM 69 CA ASN A 5 -5.829 -22.727 0.933 1.00 0.00 C ATOM 70 C ASN A 5 -5.029 -21.838 -0.009 1.00 0.00 C ATOM 71 O ASN A 5 -4.896 -20.635 0.211 1.00 0.00 O ATOM 72 CB ASN A 5 -4.919 -23.291 2.027 1.00 0.00 C ATOM 73 CG ASN A 5 -4.279 -22.200 2.866 1.00 0.00 C ATOM 74 OD1 ASN A 5 -4.971 -21.409 3.508 1.00 0.00 O ATOM 75 ND2 ASN A 5 -2.952 -22.150 2.863 1.00 0.00 N ATOM 0 H ASN A 5 -6.021 -24.717 0.296 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.609 -22.137 1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.498 -23.950 2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.138 -23.899 1.569 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.467 -21.436 3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.417 -22.825 2.317 1.00 0.00 H new ATOM 82 N MET A 6 -4.508 -22.450 -1.068 1.00 0.00 N ATOM 83 CA MET A 6 -3.733 -21.737 -2.069 1.00 0.00 C ATOM 84 C MET A 6 -4.675 -20.957 -2.995 1.00 0.00 C ATOM 85 O MET A 6 -4.464 -19.769 -3.273 1.00 0.00 O ATOM 86 CB MET A 6 -2.884 -22.741 -2.861 1.00 0.00 C ATOM 87 CG MET A 6 -1.989 -22.114 -3.913 1.00 0.00 C ATOM 88 SD MET A 6 -0.943 -23.321 -4.753 1.00 0.00 S ATOM 89 CE MET A 6 0.054 -23.926 -3.393 1.00 0.00 C ATOM 0 H MET A 6 -4.612 -23.448 -1.253 1.00 0.00 H new ATOM 0 HA MET A 6 -3.066 -21.023 -1.586 1.00 0.00 H new ATOM 0 HB2 MET A 6 -2.264 -23.304 -2.163 1.00 0.00 H new ATOM 0 HB3 MET A 6 -3.548 -23.456 -3.346 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.607 -21.601 -4.650 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.359 -21.359 -3.444 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.967 -24.376 -3.783 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.311 -23.097 -2.734 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.509 -24.673 -2.834 1.00 0.00 H new ATOM 99 N ASP A 7 -5.733 -21.633 -3.442 1.00 0.00 N ATOM 100 CA ASP A 7 -6.729 -21.016 -4.307 1.00 0.00 C ATOM 101 C ASP A 7 -7.516 -19.962 -3.541 1.00 0.00 C ATOM 102 O ASP A 7 -7.716 -18.847 -4.026 1.00 0.00 O ATOM 103 CB ASP A 7 -7.682 -22.073 -4.867 1.00 0.00 C ATOM 104 CG ASP A 7 -6.984 -23.059 -5.785 1.00 0.00 C ATOM 105 OD1 ASP A 7 -6.343 -22.612 -6.759 1.00 0.00 O ATOM 106 OD2 ASP A 7 -7.086 -24.279 -5.534 1.00 0.00 O ATOM 0 H ASP A 7 -5.920 -22.610 -3.217 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.211 -20.536 -5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.144 -22.615 -4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.486 -21.579 -5.413 1.00 0.00 H new ATOM 111 N LEU A 8 -7.957 -20.316 -2.336 1.00 0.00 N ATOM 112 CA LEU A 8 -8.710 -19.383 -1.507 1.00 0.00 C ATOM 113 C LEU A 8 -7.855 -18.158 -1.228 1.00 0.00 C ATOM 114 O LEU A 8 -8.362 -17.044 -1.114 1.00 0.00 O ATOM 115 CB LEU A 8 -9.147 -20.050 -0.201 1.00 0.00 C ATOM 116 CG LEU A 8 -10.110 -19.244 0.687 1.00 0.00 C ATOM 117 CD1 LEU A 8 -9.395 -18.100 1.394 1.00 0.00 C ATOM 118 CD2 LEU A 8 -11.281 -18.717 -0.131 1.00 0.00 C ATOM 0 H LEU A 8 -7.807 -21.234 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.611 -19.077 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.621 -21.001 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.255 -20.279 0.382 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.494 -19.918 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.107 -17.553 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.601 -18.501 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.965 -17.426 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.950 -18.150 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.908 -18.070 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.824 -19.554 -0.570 1.00 0.00 H new ATOM 130 N LEU A 9 -6.544 -18.374 -1.141 1.00 0.00 N ATOM 131 CA LEU A 9 -5.609 -17.288 -0.901 1.00 0.00 C ATOM 132 C LEU A 9 -5.625 -16.325 -2.079 1.00 0.00 C ATOM 133 O LEU A 9 -5.934 -15.145 -1.920 1.00 0.00 O ATOM 134 CB LEU A 9 -4.199 -17.832 -0.678 1.00 0.00 C ATOM 135 CG LEU A 9 -3.127 -16.770 -0.424 1.00 0.00 C ATOM 136 CD1 LEU A 9 -3.453 -15.966 0.826 1.00 0.00 C ATOM 137 CD2 LEU A 9 -1.762 -17.422 -0.299 1.00 0.00 C ATOM 0 H LEU A 9 -6.110 -19.292 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.914 -16.754 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.220 -18.515 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.910 -18.417 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.109 -16.086 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.679 -15.216 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.416 -15.471 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.498 -16.634 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.008 -16.656 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.770 -18.126 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.526 -17.953 -1.221 1.00 0.00 H new ATOM 149 N TYR A 10 -5.326 -16.841 -3.276 1.00 0.00 N ATOM 150 CA TYR A 10 -5.336 -16.010 -4.484 1.00 0.00 C ATOM 151 C TYR A 10 -6.610 -15.184 -4.531 1.00 0.00 C ATOM 152 O TYR A 10 -6.579 -13.961 -4.654 1.00 0.00 O ATOM 153 CB TYR A 10 -5.297 -16.876 -5.742 1.00 0.00 C ATOM 154 CG TYR A 10 -4.177 -17.888 -5.801 1.00 0.00 C ATOM 155 CD1 TYR A 10 -3.028 -17.769 -5.024 1.00 0.00 C ATOM 156 CD2 TYR A 10 -4.275 -18.965 -6.662 1.00 0.00 C ATOM 157 CE1 TYR A 10 -2.019 -18.703 -5.107 1.00 0.00 C ATOM 158 CE2 TYR A 10 -3.270 -19.903 -6.749 1.00 0.00 C ATOM 159 CZ TYR A 10 -2.145 -19.767 -5.970 1.00 0.00 C ATOM 160 OH TYR A 10 -1.136 -20.702 -6.060 1.00 0.00 O ATOM 0 H TYR A 10 -5.077 -17.818 -3.434 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.457 -15.367 -4.451 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.246 -17.405 -5.827 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.218 -16.222 -6.610 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.926 -16.933 -4.347 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.156 -19.073 -7.278 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.133 -18.601 -4.498 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.365 -20.740 -7.425 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.525 -21.590 -6.203 1.00 0.00 H new ATOM 170 N MET A 11 -7.732 -15.883 -4.431 1.00 0.00 N ATOM 171 CA MET A 11 -9.035 -15.250 -4.461 1.00 0.00 C ATOM 172 C MET A 11 -9.165 -14.289 -3.292 1.00 0.00 C ATOM 173 O MET A 11 -9.715 -13.196 -3.425 1.00 0.00 O ATOM 174 CB MET A 11 -10.122 -16.319 -4.400 1.00 0.00 C ATOM 175 CG MET A 11 -11.515 -15.794 -4.712 1.00 0.00 C ATOM 176 SD MET A 11 -12.775 -17.079 -4.629 1.00 0.00 S ATOM 177 CE MET A 11 -14.243 -16.141 -5.047 1.00 0.00 C ATOM 0 H MET A 11 -7.761 -16.897 -4.328 1.00 0.00 H new ATOM 0 HA MET A 11 -9.148 -14.687 -5.387 1.00 0.00 H new ATOM 0 HB2 MET A 11 -9.877 -17.114 -5.104 1.00 0.00 H new ATOM 0 HB3 MET A 11 -10.126 -16.764 -3.405 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.765 -14.999 -4.009 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.518 -15.352 -5.708 1.00 0.00 H new ATOM 0 HE1 MET A 11 -15.111 -16.800 -5.038 1.00 0.00 H new ATOM 0 HE2 MET A 11 -14.385 -15.343 -4.318 1.00 0.00 H new ATOM 0 HE3 MET A 11 -14.127 -15.708 -6.040 1.00 0.00 H new ATOM 187 N ALA A 12 -8.625 -14.699 -2.150 1.00 0.00 N ATOM 188 CA ALA A 12 -8.652 -13.870 -0.954 1.00 0.00 C ATOM 189 C ALA A 12 -7.895 -12.583 -1.204 1.00 0.00 C ATOM 190 O ALA A 12 -8.266 -11.540 -0.692 1.00 0.00 O ATOM 191 CB ALA A 12 -8.064 -14.619 0.234 1.00 0.00 C ATOM 0 H ALA A 12 -8.164 -15.601 -2.029 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.688 -13.628 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.094 -13.981 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.646 -15.522 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.031 -14.891 0.018 1.00 0.00 H new ATOM 197 N ALA A 13 -6.845 -12.657 -2.013 1.00 0.00 N ATOM 198 CA ALA A 13 -6.064 -11.478 -2.342 1.00 0.00 C ATOM 199 C ALA A 13 -6.937 -10.472 -3.076 1.00 0.00 C ATOM 200 O ALA A 13 -6.872 -9.272 -2.822 1.00 0.00 O ATOM 201 CB ALA A 13 -4.854 -11.854 -3.184 1.00 0.00 C ATOM 0 H ALA A 13 -6.518 -13.519 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.703 -11.025 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.282 -10.957 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.225 -12.549 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.187 -12.326 -4.109 1.00 0.00 H new ATOM 207 N ALA A 14 -7.774 -10.975 -3.979 1.00 0.00 N ATOM 208 CA ALA A 14 -8.677 -10.121 -4.736 1.00 0.00 C ATOM 209 C ALA A 14 -9.698 -9.484 -3.804 1.00 0.00 C ATOM 210 O ALA A 14 -9.863 -8.265 -3.785 1.00 0.00 O ATOM 211 CB ALA A 14 -9.374 -10.918 -5.828 1.00 0.00 C ATOM 0 H ALA A 14 -7.844 -11.968 -4.202 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.096 -9.330 -5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.045 -10.264 -6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.629 -11.334 -6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.948 -11.728 -5.377 1.00 0.00 H new ATOM 217 N VAL A 15 -10.372 -10.319 -3.016 1.00 0.00 N ATOM 218 CA VAL A 15 -11.367 -9.838 -2.067 1.00 0.00 C ATOM 219 C VAL A 15 -10.723 -8.892 -1.059 1.00 0.00 C ATOM 220 O VAL A 15 -11.261 -7.833 -0.759 1.00 0.00 O ATOM 221 CB VAL A 15 -12.036 -11.007 -1.317 1.00 0.00 C ATOM 222 CG1 VAL A 15 -13.141 -10.501 -0.402 1.00 0.00 C ATOM 223 CG2 VAL A 15 -12.579 -12.028 -2.305 1.00 0.00 C ATOM 0 H VAL A 15 -10.246 -11.331 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.132 -9.305 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.283 -11.494 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -13.598 -11.344 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -12.720 -9.810 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -13.897 -9.986 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.048 -12.847 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.317 -11.552 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.762 -12.417 -2.912 1.00 0.00 H new ATOM 233 N MET A 16 -9.557 -9.281 -0.554 1.00 0.00 N ATOM 234 CA MET A 16 -8.820 -8.464 0.413 1.00 0.00 C ATOM 235 C MET A 16 -8.419 -7.129 -0.202 1.00 0.00 C ATOM 236 O MET A 16 -8.730 -6.066 0.327 1.00 0.00 O ATOM 237 CB MET A 16 -7.574 -9.212 0.909 1.00 0.00 C ATOM 238 CG MET A 16 -7.614 -9.577 2.378 1.00 0.00 C ATOM 239 SD MET A 16 -7.076 -8.239 3.464 1.00 0.00 S ATOM 240 CE MET A 16 -8.320 -6.992 3.145 1.00 0.00 C ATOM 0 H MET A 16 -9.098 -10.159 -0.797 1.00 0.00 H new ATOM 0 HA MET A 16 -9.475 -8.271 1.262 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.453 -10.123 0.323 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.695 -8.595 0.723 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.630 -9.866 2.645 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.981 -10.448 2.546 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.375 -6.308 3.992 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.055 -6.435 2.246 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.288 -7.472 3.002 1.00 0.00 H new ATOM 250 N MET A 17 -7.722 -7.196 -1.322 1.00 0.00 N ATOM 251 CA MET A 17 -7.272 -5.994 -2.017 1.00 0.00 C ATOM 252 C MET A 17 -8.461 -5.117 -2.396 1.00 0.00 C ATOM 253 O MET A 17 -8.421 -3.895 -2.250 1.00 0.00 O ATOM 254 CB MET A 17 -6.480 -6.364 -3.275 1.00 0.00 C ATOM 255 CG MET A 17 -5.149 -7.044 -2.991 1.00 0.00 C ATOM 256 SD MET A 17 -3.967 -5.955 -2.176 1.00 0.00 S ATOM 257 CE MET A 17 -3.836 -4.634 -3.377 1.00 0.00 C ATOM 0 H MET A 17 -7.453 -8.070 -1.774 1.00 0.00 H new ATOM 0 HA MET A 17 -6.623 -5.437 -1.342 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.088 -7.023 -3.894 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.298 -5.460 -3.856 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.320 -7.920 -2.365 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.721 -7.400 -3.928 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.881 -4.124 -3.254 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.898 -5.049 -4.383 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.649 -3.924 -3.227 1.00 0.00 H new ATOM 267 N GLY A 18 -9.523 -5.755 -2.875 1.00 0.00 N ATOM 268 CA GLY A 18 -10.712 -5.026 -3.270 1.00 0.00 C ATOM 269 C GLY A 18 -11.440 -4.415 -2.093 1.00 0.00 C ATOM 270 O GLY A 18 -11.709 -3.219 -2.082 1.00 0.00 O ATOM 0 H GLY A 18 -9.581 -6.766 -2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.434 -4.237 -3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.386 -5.699 -3.800 1.00 0.00 H new ATOM 274 N LEU A 19 -11.768 -5.240 -1.103 1.00 0.00 N ATOM 275 CA LEU A 19 -12.478 -4.770 0.081 1.00 0.00 C ATOM 276 C LEU A 19 -11.686 -3.662 0.764 1.00 0.00 C ATOM 277 O LEU A 19 -12.242 -2.631 1.152 1.00 0.00 O ATOM 278 CB LEU A 19 -12.726 -5.932 1.047 1.00 0.00 C ATOM 279 CG LEU A 19 -11.492 -6.458 1.782 1.00 0.00 C ATOM 280 CD1 LEU A 19 -11.150 -5.569 2.972 1.00 0.00 C ATOM 281 CD2 LEU A 19 -11.710 -7.895 2.229 1.00 0.00 C ATOM 0 H LEU A 19 -11.553 -6.237 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.443 -4.366 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.460 -5.614 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.172 -6.755 0.489 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.649 -6.437 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.269 -5.963 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.946 -4.557 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.990 -5.551 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.822 -8.253 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.568 -7.941 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.897 -8.523 1.358 1.00 0.00 H new ATOM 293 N ALA A 20 -10.377 -3.867 0.888 1.00 0.00 N ATOM 294 CA ALA A 20 -9.515 -2.869 1.498 1.00 0.00 C ATOM 295 C ALA A 20 -9.446 -1.650 0.595 1.00 0.00 C ATOM 296 O ALA A 20 -9.342 -0.519 1.064 1.00 0.00 O ATOM 297 CB ALA A 20 -8.122 -3.431 1.756 1.00 0.00 C ATOM 0 H ALA A 20 -9.896 -4.711 0.575 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.933 -2.580 2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.498 -2.662 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.193 -4.287 2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.676 -3.746 0.813 1.00 0.00 H new ATOM 303 N ALA A 21 -9.532 -1.895 -0.711 1.00 0.00 N ATOM 304 CA ALA A 21 -9.507 -0.816 -1.688 1.00 0.00 C ATOM 305 C ALA A 21 -10.758 0.028 -1.554 1.00 0.00 C ATOM 306 O ALA A 21 -10.707 1.254 -1.619 1.00 0.00 O ATOM 307 CB ALA A 21 -9.377 -1.367 -3.101 1.00 0.00 C ATOM 0 H ALA A 21 -9.619 -2.828 -1.113 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.637 -0.189 -1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.361 -0.542 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.452 -1.938 -3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.225 -2.016 -3.318 1.00 0.00 H new ATOM 313 N ILE A 22 -11.879 -0.644 -1.338 1.00 0.00 N ATOM 314 CA ILE A 22 -13.154 0.036 -1.158 1.00 0.00 C ATOM 315 C ILE A 22 -13.091 0.918 0.080 1.00 0.00 C ATOM 316 O ILE A 22 -13.164 2.142 -0.013 1.00 0.00 O ATOM 317 CB ILE A 22 -14.322 -0.960 -1.006 1.00 0.00 C ATOM 318 CG1 ILE A 22 -14.375 -1.908 -2.202 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.643 -0.218 -0.855 1.00 0.00 C ATOM 320 CD1 ILE A 22 -14.598 -1.210 -3.525 1.00 0.00 C ATOM 0 H ILE A 22 -11.932 -1.661 -1.283 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.334 0.638 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.155 -1.550 -0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -13.442 -2.469 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.174 -2.632 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.455 -0.938 -0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.604 0.418 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.817 0.398 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -14.624 -1.949 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -15.545 -0.672 -3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.786 -0.506 -3.706 1.00 0.00 H new ATOM 332 N GLY A 23 -12.933 0.288 1.242 1.00 0.00 N ATOM 333 CA GLY A 23 -12.843 1.039 2.481 1.00 0.00 C ATOM 334 C GLY A 23 -11.789 2.125 2.402 1.00 0.00 C ATOM 335 O GLY A 23 -12.055 3.291 2.708 1.00 0.00 O ATOM 0 H GLY A 23 -12.866 -0.724 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.811 1.487 2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.607 0.361 3.301 1.00 0.00 H new ATOM 339 N ALA A 24 -10.592 1.738 1.970 1.00 0.00 N ATOM 340 CA ALA A 24 -9.491 2.676 1.827 1.00 0.00 C ATOM 341 C ALA A 24 -9.872 3.799 0.874 1.00 0.00 C ATOM 342 O ALA A 24 -9.580 4.961 1.123 1.00 0.00 O ATOM 343 CB ALA A 24 -8.245 1.961 1.329 1.00 0.00 C ATOM 0 H ALA A 24 -10.363 0.778 1.713 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.276 3.107 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.430 2.678 1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.960 1.187 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.450 1.505 0.360 1.00 0.00 H new ATOM 349 N ALA A 25 -10.533 3.440 -0.220 1.00 0.00 N ATOM 350 CA ALA A 25 -10.957 4.421 -1.211 1.00 0.00 C ATOM 351 C ALA A 25 -11.836 5.496 -0.577 1.00 0.00 C ATOM 352 O ALA A 25 -11.503 6.677 -0.602 1.00 0.00 O ATOM 353 CB ALA A 25 -11.693 3.737 -2.354 1.00 0.00 C ATOM 0 H ALA A 25 -10.787 2.478 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.066 4.906 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.003 4.483 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.032 3.014 -2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.572 3.223 -1.965 1.00 0.00 H new ATOM 359 N ILE A 26 -12.953 5.081 0.003 1.00 0.00 N ATOM 360 CA ILE A 26 -13.869 6.017 0.646 1.00 0.00 C ATOM 361 C ILE A 26 -13.154 6.891 1.683 1.00 0.00 C ATOM 362 O ILE A 26 -13.183 8.118 1.589 1.00 0.00 O ATOM 363 CB ILE A 26 -15.058 5.285 1.298 1.00 0.00 C ATOM 364 CG1 ILE A 26 -16.035 4.829 0.216 1.00 0.00 C ATOM 365 CG2 ILE A 26 -15.770 6.177 2.309 1.00 0.00 C ATOM 366 CD1 ILE A 26 -15.473 3.785 -0.722 1.00 0.00 C ATOM 0 H ILE A 26 -13.248 4.105 0.043 1.00 0.00 H new ATOM 0 HA ILE A 26 -14.253 6.668 -0.139 1.00 0.00 H new ATOM 0 HB ILE A 26 -14.676 4.416 1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.929 4.429 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.346 5.696 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -16.604 5.632 2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -15.071 6.469 3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.145 7.069 1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.228 3.515 -1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -14.596 4.187 -1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -15.189 2.900 -0.153 1.00 0.00 H new ATOM 378 N GLY A 27 -12.518 6.264 2.670 1.00 0.00 N ATOM 379 CA GLY A 27 -11.829 7.031 3.699 1.00 0.00 C ATOM 380 C GLY A 27 -10.699 7.876 3.147 1.00 0.00 C ATOM 381 O GLY A 27 -10.499 9.013 3.580 1.00 0.00 O ATOM 0 H GLY A 27 -12.466 5.251 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.546 7.678 4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.432 6.348 4.450 1.00 0.00 H new ATOM 385 N ILE A 28 -9.955 7.331 2.183 1.00 0.00 N ATOM 386 CA ILE A 28 -8.853 8.072 1.584 1.00 0.00 C ATOM 387 C ILE A 28 -9.407 9.352 1.001 1.00 0.00 C ATOM 388 O ILE A 28 -8.864 10.434 1.191 1.00 0.00 O ATOM 389 CB ILE A 28 -8.123 7.261 0.487 1.00 0.00 C ATOM 390 CG1 ILE A 28 -6.673 7.725 0.373 1.00 0.00 C ATOM 391 CG2 ILE A 28 -8.818 7.372 -0.863 1.00 0.00 C ATOM 392 CD1 ILE A 28 -5.884 7.552 1.651 1.00 0.00 C ATOM 0 H ILE A 28 -10.095 6.393 1.807 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.115 8.283 2.358 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.148 6.212 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.183 7.168 -0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.657 8.776 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.271 6.787 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.836 6.992 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.845 8.416 -1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.863 7.902 1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.351 8.131 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.869 6.498 1.929 1.00 0.00 H new ATOM 404 N GLY A 29 -10.536 9.207 0.334 1.00 0.00 N ATOM 405 CA GLY A 29 -11.210 10.352 -0.233 1.00 0.00 C ATOM 406 C GLY A 29 -11.649 11.306 0.858 1.00 0.00 C ATOM 407 O GLY A 29 -11.608 12.523 0.688 1.00 0.00 O ATOM 0 H GLY A 29 -11.001 8.313 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.545 10.866 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.077 10.023 -0.807 1.00 0.00 H new ATOM 411 N ILE A 30 -12.053 10.739 1.997 1.00 0.00 N ATOM 412 CA ILE A 30 -12.484 11.539 3.139 1.00 0.00 C ATOM 413 C ILE A 30 -11.351 12.451 3.622 1.00 0.00 C ATOM 414 O ILE A 30 -11.391 13.663 3.415 1.00 0.00 O ATOM 415 CB ILE A 30 -12.994 10.634 4.301 1.00 0.00 C ATOM 416 CG1 ILE A 30 -14.502 10.403 4.170 1.00 0.00 C ATOM 417 CG2 ILE A 30 -12.681 11.237 5.666 1.00 0.00 C ATOM 418 CD1 ILE A 30 -14.923 9.795 2.853 1.00 0.00 C ATOM 0 H ILE A 30 -12.090 9.731 2.150 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.314 12.165 2.813 1.00 0.00 H new ATOM 0 HB ILE A 30 -12.471 9.680 4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -14.830 9.751 4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -15.017 11.355 4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.052 10.576 6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.603 11.356 5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.164 12.210 5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.005 9.664 2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.629 10.455 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.439 8.826 2.728 1.00 0.00 H new ATOM 430 N LEU A 31 -10.342 11.856 4.254 1.00 0.00 N ATOM 431 CA LEU A 31 -9.193 12.607 4.767 1.00 0.00 C ATOM 432 C LEU A 31 -8.355 13.144 3.614 1.00 0.00 C ATOM 433 O LEU A 31 -7.893 14.284 3.641 1.00 0.00 O ATOM 434 CB LEU A 31 -8.350 11.691 5.667 1.00 0.00 C ATOM 435 CG LEU A 31 -7.212 12.360 6.450 1.00 0.00 C ATOM 436 CD1 LEU A 31 -6.082 12.793 5.527 1.00 0.00 C ATOM 437 CD2 LEU A 31 -7.737 13.545 7.240 1.00 0.00 C ATOM 0 H LEU A 31 -10.295 10.852 4.425 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.546 13.456 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.016 11.207 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.921 10.904 5.047 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.809 11.625 7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.293 13.263 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.680 11.921 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.463 13.505 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.917 14.008 7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.173 14.274 6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.498 13.206 7.942 1.00 0.00 H new ATOM 449 N GLY A 32 -8.169 12.315 2.597 1.00 0.00 N ATOM 450 CA GLY A 32 -7.393 12.725 1.441 1.00 0.00 C ATOM 451 C GLY A 32 -7.998 13.931 0.756 1.00 0.00 C ATOM 452 O GLY A 32 -7.286 14.857 0.385 1.00 0.00 O ATOM 0 H GLY A 32 -8.541 11.366 2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.374 12.956 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.331 11.898 0.733 1.00 0.00 H new ATOM 456 N GLY A 33 -9.317 13.924 0.601 1.00 0.00 N ATOM 457 CA GLY A 33 -9.989 15.041 -0.037 1.00 0.00 C ATOM 458 C GLY A 33 -9.823 16.327 0.745 1.00 0.00 C ATOM 459 O GLY A 33 -9.476 17.364 0.182 1.00 0.00 O ATOM 0 H GLY A 33 -9.931 13.168 0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.592 15.175 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.050 14.814 -0.140 1.00 0.00 H new ATOM 463 N LYS A 34 -10.071 16.259 2.050 1.00 0.00 N ATOM 464 CA LYS A 34 -9.948 17.425 2.914 1.00 0.00 C ATOM 465 C LYS A 34 -8.509 17.935 2.940 1.00 0.00 C ATOM 466 O LYS A 34 -8.253 19.125 2.721 1.00 0.00 O ATOM 467 CB LYS A 34 -10.428 17.085 4.330 1.00 0.00 C ATOM 468 CG LYS A 34 -9.653 15.973 5.009 1.00 0.00 C ATOM 469 CD LYS A 34 -10.199 15.673 6.400 1.00 0.00 C ATOM 470 CE LYS A 34 -11.519 14.916 6.352 1.00 0.00 C ATOM 471 NZ LYS A 34 -12.689 15.812 6.134 1.00 0.00 N ATOM 0 H LYS A 34 -10.359 15.407 2.531 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.577 18.220 2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.365 17.982 4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.480 16.802 4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.699 15.072 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.603 16.254 5.083 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.467 15.088 6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.339 16.608 6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.480 14.176 5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.654 14.370 7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.441 15.571 6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.400 16.801 6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.044 15.690 5.164 1.00 0.00 H new ATOM 485 N PHE A 35 -7.570 17.031 3.196 1.00 0.00 N ATOM 486 CA PHE A 35 -6.159 17.391 3.246 1.00 0.00 C ATOM 487 C PHE A 35 -5.703 17.902 1.886 1.00 0.00 C ATOM 488 O PHE A 35 -5.082 18.957 1.775 1.00 0.00 O ATOM 489 CB PHE A 35 -5.314 16.187 3.653 1.00 0.00 C ATOM 490 CG PHE A 35 -3.973 16.581 4.193 1.00 0.00 C ATOM 491 CD1 PHE A 35 -3.872 17.248 5.401 1.00 0.00 C ATOM 492 CD2 PHE A 35 -2.822 16.323 3.477 1.00 0.00 C ATOM 493 CE1 PHE A 35 -2.643 17.649 5.883 1.00 0.00 C ATOM 494 CE2 PHE A 35 -1.591 16.718 3.957 1.00 0.00 C ATOM 495 CZ PHE A 35 -1.501 17.383 5.160 1.00 0.00 C ATOM 0 H PHE A 35 -7.761 16.045 3.372 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.029 18.178 3.989 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.850 15.610 4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.177 15.535 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.764 17.457 5.972 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.886 15.806 2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.576 18.171 6.826 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.697 16.506 3.389 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.538 17.695 5.535 1.00 0.00 H new ATOM 505 N LEU A 36 -6.030 17.137 0.853 1.00 0.00 N ATOM 506 CA LEU A 36 -5.677 17.493 -0.517 1.00 0.00 C ATOM 507 C LEU A 36 -6.338 18.817 -0.894 1.00 0.00 C ATOM 508 O LEU A 36 -5.750 19.643 -1.588 1.00 0.00 O ATOM 509 CB LEU A 36 -6.119 16.378 -1.477 1.00 0.00 C ATOM 510 CG LEU A 36 -5.615 16.479 -2.923 1.00 0.00 C ATOM 511 CD1 LEU A 36 -6.183 17.708 -3.618 1.00 0.00 C ATOM 512 CD2 LEU A 36 -4.093 16.485 -2.963 1.00 0.00 C ATOM 0 H LEU A 36 -6.543 16.259 0.938 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.596 17.608 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.789 15.424 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.209 16.357 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.966 15.600 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.809 17.753 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.271 17.647 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.877 18.605 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.756 16.557 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.718 17.339 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.714 15.563 -2.522 1.00 0.00 H new ATOM 524 N GLU A 37 -7.564 19.014 -0.413 1.00 0.00 N ATOM 525 CA GLU A 37 -8.308 20.239 -0.685 1.00 0.00 C ATOM 526 C GLU A 37 -7.546 21.460 -0.186 1.00 0.00 C ATOM 527 O GLU A 37 -7.244 22.370 -0.956 1.00 0.00 O ATOM 528 CB GLU A 37 -9.687 20.186 -0.024 1.00 0.00 C ATOM 529 CG GLU A 37 -10.519 21.442 -0.244 1.00 0.00 C ATOM 530 CD GLU A 37 -10.851 21.676 -1.706 1.00 0.00 C ATOM 531 OE1 GLU A 37 -10.449 20.847 -2.549 1.00 0.00 O ATOM 532 OE2 GLU A 37 -11.518 22.690 -2.006 1.00 0.00 O ATOM 0 H GLU A 37 -8.062 18.339 0.167 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.432 20.322 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.233 19.326 -0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.561 20.027 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.444 21.364 0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.977 22.304 0.144 1.00 0.00 H new ATOM 539 N GLY A 38 -7.243 21.479 1.109 1.00 0.00 N ATOM 540 CA GLY A 38 -6.519 22.605 1.679 1.00 0.00 C ATOM 541 C GLY A 38 -5.130 22.753 1.088 1.00 0.00 C ATOM 542 O GLY A 38 -4.778 23.805 0.540 1.00 0.00 O ATOM 0 H GLY A 38 -7.483 20.741 1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.084 23.521 1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.441 22.475 2.758 1.00 0.00 H new ATOM 546 N ALA A 39 -4.340 21.689 1.195 1.00 0.00 N ATOM 547 CA ALA A 39 -2.980 21.683 0.667 1.00 0.00 C ATOM 548 C ALA A 39 -2.947 22.160 -0.779 1.00 0.00 C ATOM 549 O ALA A 39 -1.929 22.654 -1.263 1.00 0.00 O ATOM 550 CB ALA A 39 -2.393 20.287 0.765 1.00 0.00 C ATOM 0 H ALA A 39 -4.620 20.817 1.644 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.382 22.371 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.378 20.291 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.374 19.973 1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.005 19.594 0.188 1.00 0.00 H new ATOM 556 N ALA A 40 -4.068 21.999 -1.468 1.00 0.00 N ATOM 557 CA ALA A 40 -4.165 22.407 -2.857 1.00 0.00 C ATOM 558 C ALA A 40 -4.704 23.821 -2.952 1.00 0.00 C ATOM 559 O ALA A 40 -4.318 24.587 -3.836 1.00 0.00 O ATOM 560 CB ALA A 40 -5.048 21.439 -3.619 1.00 0.00 C ATOM 0 H ALA A 40 -4.920 21.589 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.171 22.392 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.116 21.752 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.619 20.438 -3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.044 21.430 -3.177 1.00 0.00 H new ATOM 566 N ARG A 41 -5.580 24.173 -2.019 1.00 0.00 N ATOM 567 CA ARG A 41 -6.143 25.511 -1.988 1.00 0.00 C ATOM 568 C ARG A 41 -5.057 26.530 -1.728 1.00 0.00 C ATOM 569 O ARG A 41 -5.172 27.693 -2.114 1.00 0.00 O ATOM 570 CB ARG A 41 -7.235 25.618 -0.927 1.00 0.00 C ATOM 571 CG ARG A 41 -8.573 25.077 -1.388 1.00 0.00 C ATOM 572 CD ARG A 41 -9.104 25.879 -2.565 1.00 0.00 C ATOM 573 NE ARG A 41 -8.426 25.548 -3.818 1.00 0.00 N ATOM 574 CZ ARG A 41 -8.431 24.339 -4.375 1.00 0.00 C ATOM 575 NH1 ARG A 41 -9.126 23.346 -3.831 1.00 0.00 N ATOM 576 NH2 ARG A 41 -7.749 24.123 -5.492 1.00 0.00 N ATOM 0 H ARG A 41 -5.912 23.553 -1.280 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.592 25.715 -2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.920 25.077 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.353 26.663 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.468 24.030 -1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.288 25.113 -0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.173 25.695 -2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.983 26.943 -2.360 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.917 26.291 -4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.663 23.506 -2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.123 22.423 -4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.222 24.883 -5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.752 23.197 -5.920 1.00 0.00 H new ATOM 590 N GLN A 42 -3.990 26.081 -1.089 1.00 0.00 N ATOM 591 CA GLN A 42 -2.876 26.938 -0.802 1.00 0.00 C ATOM 592 C GLN A 42 -1.758 26.700 -1.813 1.00 0.00 C ATOM 593 O GLN A 42 -1.213 25.599 -1.905 1.00 0.00 O ATOM 594 CB GLN A 42 -2.355 26.691 0.604 1.00 0.00 C ATOM 595 CG GLN A 42 -3.309 27.126 1.706 1.00 0.00 C ATOM 596 CD GLN A 42 -3.639 28.605 1.647 1.00 0.00 C ATOM 597 OE1 GLN A 42 -4.239 29.081 0.684 1.00 0.00 O ATOM 598 NE2 GLN A 42 -3.247 29.340 2.680 1.00 0.00 N ATOM 0 H GLN A 42 -3.881 25.121 -0.762 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.213 27.972 -0.873 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.144 25.628 0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.410 27.219 0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.231 26.549 1.631 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -2.867 26.895 2.675 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.752 28.904 3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.441 30.341 2.696 1.00 0.00 H new ATOM 607 N PRO A 43 -1.416 27.724 -2.600 1.00 0.00 N ATOM 608 CA PRO A 43 -0.371 27.630 -3.624 1.00 0.00 C ATOM 609 C PRO A 43 0.989 27.176 -3.080 1.00 0.00 C ATOM 610 O PRO A 43 1.914 26.933 -3.853 1.00 0.00 O ATOM 611 CB PRO A 43 -0.263 29.057 -4.175 1.00 0.00 C ATOM 612 CG PRO A 43 -1.031 29.927 -3.238 1.00 0.00 C ATOM 613 CD PRO A 43 -2.046 29.048 -2.573 1.00 0.00 C ATOM 0 HA PRO A 43 -0.634 26.879 -4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.778 29.373 -4.234 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.672 29.116 -5.184 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.369 30.381 -2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.516 30.742 -3.775 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.254 29.374 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.995 29.053 -3.109 1.00 0.00 H new ATOM 621 N ASP A 44 1.118 27.069 -1.760 1.00 0.00 N ATOM 622 CA ASP A 44 2.381 26.650 -1.153 1.00 0.00 C ATOM 623 C ASP A 44 2.365 25.162 -0.793 1.00 0.00 C ATOM 624 O ASP A 44 3.414 24.524 -0.705 1.00 0.00 O ATOM 625 CB ASP A 44 2.655 27.486 0.099 1.00 0.00 C ATOM 626 CG ASP A 44 4.000 27.175 0.730 1.00 0.00 C ATOM 627 OD1 ASP A 44 4.744 26.342 0.172 1.00 0.00 O ATOM 628 OD2 ASP A 44 4.311 27.770 1.783 1.00 0.00 O ATOM 0 H ASP A 44 0.371 27.265 -1.094 1.00 0.00 H new ATOM 0 HA ASP A 44 3.175 26.809 -1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.616 28.544 -0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.866 27.308 0.830 1.00 0.00 H new ATOM 633 N LEU A 45 1.172 24.616 -0.571 1.00 0.00 N ATOM 634 CA LEU A 45 1.026 23.207 -0.203 1.00 0.00 C ATOM 635 C LEU A 45 0.819 22.305 -1.427 1.00 0.00 C ATOM 636 O LEU A 45 0.481 21.122 -1.296 1.00 0.00 O ATOM 637 CB LEU A 45 -0.132 23.049 0.785 1.00 0.00 C ATOM 638 CG LEU A 45 0.098 23.672 2.165 1.00 0.00 C ATOM 639 CD1 LEU A 45 1.312 23.052 2.839 1.00 0.00 C ATOM 640 CD2 LEU A 45 0.262 25.180 2.056 1.00 0.00 C ATOM 0 H LEU A 45 0.291 25.126 -0.639 1.00 0.00 H new ATOM 0 HA LEU A 45 1.955 22.888 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.025 23.495 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.336 21.986 0.913 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.779 23.467 2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.458 23.509 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.154 21.980 2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.196 23.222 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.424 25.601 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.118 25.408 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.638 25.613 1.621 1.00 0.00 H new ATOM 652 N ILE A 46 1.034 22.851 -2.622 1.00 0.00 N ATOM 653 CA ILE A 46 0.874 22.058 -3.837 1.00 0.00 C ATOM 654 C ILE A 46 1.719 20.790 -3.751 1.00 0.00 C ATOM 655 O ILE A 46 1.253 19.708 -4.086 1.00 0.00 O ATOM 656 CB ILE A 46 1.280 22.822 -5.107 1.00 0.00 C ATOM 657 CG1 ILE A 46 0.722 24.244 -5.088 1.00 0.00 C ATOM 658 CG2 ILE A 46 0.786 22.080 -6.338 1.00 0.00 C ATOM 659 CD1 ILE A 46 1.107 25.056 -6.306 1.00 0.00 C ATOM 0 H ILE A 46 1.314 23.820 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.187 21.818 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 46 2.368 22.884 -5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.365 24.199 -5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.078 24.754 -4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.078 22.628 -7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.226 21.083 -6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.300 21.997 -6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.678 26.055 -6.228 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.193 25.131 -6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.728 24.568 -7.204 1.00 0.00 H new ATOM 671 N PRO A 47 2.980 20.897 -3.289 1.00 0.00 N ATOM 672 CA PRO A 47 3.850 19.732 -3.156 1.00 0.00 C ATOM 673 C PRO A 47 3.357 18.818 -2.049 1.00 0.00 C ATOM 674 O PRO A 47 3.658 17.623 -2.029 1.00 0.00 O ATOM 675 CB PRO A 47 5.226 20.321 -2.810 1.00 0.00 C ATOM 676 CG PRO A 47 5.104 21.790 -3.055 1.00 0.00 C ATOM 677 CD PRO A 47 3.654 22.127 -2.856 1.00 0.00 C ATOM 0 HA PRO A 47 3.876 19.125 -4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.491 20.117 -1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.008 19.883 -3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.733 22.353 -2.366 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.428 22.045 -4.064 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.432 22.367 -1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.352 22.987 -3.453 1.00 0.00 H new ATOM 685 N LEU A 48 2.569 19.388 -1.141 1.00 0.00 N ATOM 686 CA LEU A 48 1.992 18.622 -0.056 1.00 0.00 C ATOM 687 C LEU A 48 1.023 17.633 -0.668 1.00 0.00 C ATOM 688 O LEU A 48 0.961 16.469 -0.286 1.00 0.00 O ATOM 689 CB LEU A 48 1.254 19.546 0.916 1.00 0.00 C ATOM 690 CG LEU A 48 0.701 18.868 2.170 1.00 0.00 C ATOM 691 CD1 LEU A 48 1.830 18.283 3.005 1.00 0.00 C ATOM 692 CD2 LEU A 48 -0.116 19.857 2.985 1.00 0.00 C ATOM 0 H LEU A 48 2.320 20.377 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 48 2.772 18.105 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.934 20.341 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.428 20.020 0.385 1.00 0.00 H new ATOM 0 HG LEU A 48 0.048 18.050 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.416 17.805 3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.374 17.545 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.511 19.080 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.504 19.362 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.516 20.694 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.947 20.226 2.383 1.00 0.00 H new ATOM 704 N LEU A 49 0.289 18.135 -1.657 1.00 0.00 N ATOM 705 CA LEU A 49 -0.692 17.356 -2.400 1.00 0.00 C ATOM 706 C LEU A 49 -0.160 15.991 -2.810 1.00 0.00 C ATOM 707 O LEU A 49 -0.690 14.958 -2.401 1.00 0.00 O ATOM 708 CB LEU A 49 -1.106 18.143 -3.640 1.00 0.00 C ATOM 709 CG LEU A 49 -1.809 19.464 -3.342 1.00 0.00 C ATOM 710 CD1 LEU A 49 -2.270 20.131 -4.628 1.00 0.00 C ATOM 711 CD2 LEU A 49 -2.981 19.235 -2.401 1.00 0.00 C ATOM 0 H LEU A 49 0.361 19.104 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.548 17.181 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.219 18.345 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.766 17.522 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.100 20.132 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.769 21.071 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.408 20.328 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.965 19.473 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.474 20.185 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.691 18.550 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.619 18.805 -1.467 1.00 0.00 H new ATOM 723 N ARG A 50 0.869 15.992 -3.642 1.00 0.00 N ATOM 724 CA ARG A 50 1.452 14.757 -4.123 1.00 0.00 C ATOM 725 C ARG A 50 2.133 14.014 -2.981 1.00 0.00 C ATOM 726 O ARG A 50 2.023 12.791 -2.860 1.00 0.00 O ATOM 727 CB ARG A 50 2.446 15.066 -5.238 1.00 0.00 C ATOM 728 CG ARG A 50 1.801 15.714 -6.453 1.00 0.00 C ATOM 729 CD ARG A 50 2.823 16.024 -7.536 1.00 0.00 C ATOM 730 NE ARG A 50 3.884 16.906 -7.055 1.00 0.00 N ATOM 731 CZ ARG A 50 3.683 18.158 -6.651 1.00 0.00 C ATOM 732 NH1 ARG A 50 2.472 18.697 -6.708 1.00 0.00 N ATOM 733 NH2 ARG A 50 4.699 18.882 -6.202 1.00 0.00 N ATOM 0 H ARG A 50 1.316 16.837 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 50 0.665 14.115 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.222 15.726 -4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.937 14.142 -5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.035 15.051 -6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.300 16.634 -6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.262 15.094 -7.897 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.322 16.490 -8.384 1.00 0.00 H new ATOM 0 HE ARG A 50 4.836 16.540 -7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.687 18.151 -7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.326 19.657 -6.396 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.636 18.479 -6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.544 19.842 -5.893 1.00 0.00 H new ATOM 747 N THR A 51 2.826 14.768 -2.135 1.00 0.00 N ATOM 748 CA THR A 51 3.524 14.197 -0.993 1.00 0.00 C ATOM 749 C THR A 51 2.553 13.484 -0.057 1.00 0.00 C ATOM 750 O THR A 51 2.861 12.425 0.479 1.00 0.00 O ATOM 751 CB THR A 51 4.261 15.299 -0.235 1.00 0.00 C ATOM 752 OG1 THR A 51 5.112 16.013 -1.111 1.00 0.00 O ATOM 753 CG2 THR A 51 5.100 14.786 0.912 1.00 0.00 C ATOM 0 H THR A 51 2.918 15.780 -2.221 1.00 0.00 H new ATOM 0 HA THR A 51 4.242 13.464 -1.361 1.00 0.00 H new ATOM 0 HB THR A 51 3.483 15.941 0.176 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.688 16.861 -1.360 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.594 15.624 1.404 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.461 14.270 1.628 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.851 14.094 0.532 1.00 0.00 H new ATOM 761 N GLN A 52 1.378 14.073 0.139 1.00 0.00 N ATOM 762 CA GLN A 52 0.367 13.487 1.016 1.00 0.00 C ATOM 763 C GLN A 52 -0.400 12.402 0.279 1.00 0.00 C ATOM 764 O GLN A 52 -0.878 11.443 0.881 1.00 0.00 O ATOM 765 CB GLN A 52 -0.593 14.569 1.535 1.00 0.00 C ATOM 766 CG GLN A 52 -1.490 15.190 0.464 1.00 0.00 C ATOM 767 CD GLN A 52 -2.636 14.291 0.002 1.00 0.00 C ATOM 768 OE1 GLN A 52 -3.242 14.543 -1.040 1.00 0.00 O ATOM 769 NE2 GLN A 52 -2.966 13.261 0.777 1.00 0.00 N ATOM 0 H GLN A 52 1.101 14.953 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 52 0.869 13.038 1.873 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.223 14.135 2.311 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.008 15.360 2.004 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.907 16.120 0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.878 15.450 -0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.444 13.080 1.634 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.741 12.653 0.514 1.00 0.00 H new ATOM 778 N PHE A 53 -0.516 12.564 -1.032 1.00 0.00 N ATOM 779 CA PHE A 53 -1.227 11.601 -1.855 1.00 0.00 C ATOM 780 C PHE A 53 -0.557 10.233 -1.769 1.00 0.00 C ATOM 781 O PHE A 53 -1.192 9.248 -1.393 1.00 0.00 O ATOM 782 CB PHE A 53 -1.269 12.086 -3.310 1.00 0.00 C ATOM 783 CG PHE A 53 -2.134 11.247 -4.210 1.00 0.00 C ATOM 784 CD1 PHE A 53 -1.767 9.956 -4.548 1.00 0.00 C ATOM 785 CD2 PHE A 53 -3.323 11.754 -4.711 1.00 0.00 C ATOM 786 CE1 PHE A 53 -2.568 9.186 -5.370 1.00 0.00 C ATOM 787 CE2 PHE A 53 -4.127 10.989 -5.532 1.00 0.00 C ATOM 788 CZ PHE A 53 -3.750 9.703 -5.863 1.00 0.00 C ATOM 0 H PHE A 53 -0.126 13.354 -1.546 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.248 11.508 -1.486 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.632 13.114 -3.329 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.254 12.099 -3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.844 9.546 -4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.624 12.759 -4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.270 8.180 -5.627 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.051 11.397 -5.915 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.377 9.103 -6.505 1.00 0.00 H new ATOM 798 N PHE A 54 0.731 10.178 -2.115 1.00 0.00 N ATOM 799 CA PHE A 54 1.477 8.918 -2.095 1.00 0.00 C ATOM 800 C PHE A 54 1.715 8.400 -0.665 1.00 0.00 C ATOM 801 O PHE A 54 1.706 7.189 -0.441 1.00 0.00 O ATOM 802 CB PHE A 54 2.800 9.064 -2.875 1.00 0.00 C ATOM 803 CG PHE A 54 3.981 9.515 -2.065 1.00 0.00 C ATOM 804 CD1 PHE A 54 3.935 10.687 -1.341 1.00 0.00 C ATOM 805 CD2 PHE A 54 5.139 8.758 -2.037 1.00 0.00 C ATOM 806 CE1 PHE A 54 5.023 11.098 -0.600 1.00 0.00 C ATOM 807 CE2 PHE A 54 6.231 9.163 -1.297 1.00 0.00 C ATOM 808 CZ PHE A 54 6.171 10.337 -0.576 1.00 0.00 C ATOM 0 H PHE A 54 1.277 10.987 -2.411 1.00 0.00 H new ATOM 0 HA PHE A 54 0.866 8.166 -2.593 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.040 8.104 -3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.646 9.774 -3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.038 11.289 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.189 7.839 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.975 12.019 -0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.129 8.563 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.022 10.659 0.006 1.00 0.00 H new ATOM 818 N ILE A 55 1.915 9.302 0.307 1.00 0.00 N ATOM 819 CA ILE A 55 2.133 8.870 1.695 1.00 0.00 C ATOM 820 C ILE A 55 0.843 8.327 2.298 1.00 0.00 C ATOM 821 O ILE A 55 0.796 7.197 2.777 1.00 0.00 O ATOM 822 CB ILE A 55 2.651 10.005 2.615 1.00 0.00 C ATOM 823 CG1 ILE A 55 3.938 10.611 2.067 1.00 0.00 C ATOM 824 CG2 ILE A 55 2.879 9.486 4.031 1.00 0.00 C ATOM 825 CD1 ILE A 55 4.567 11.642 2.981 1.00 0.00 C ATOM 0 H ILE A 55 1.930 10.312 0.164 1.00 0.00 H new ATOM 0 HA ILE A 55 2.898 8.095 1.643 1.00 0.00 H new ATOM 0 HB ILE A 55 1.889 10.784 2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.657 9.812 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.729 11.074 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.242 10.297 4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.941 9.105 4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.617 8.684 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.478 12.027 2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.867 12.462 3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.810 11.180 3.938 1.00 0.00 H new ATOM 837 N VAL A 56 -0.196 9.152 2.287 1.00 0.00 N ATOM 838 CA VAL A 56 -1.483 8.770 2.851 1.00 0.00 C ATOM 839 C VAL A 56 -2.089 7.583 2.108 1.00 0.00 C ATOM 840 O VAL A 56 -2.705 6.710 2.719 1.00 0.00 O ATOM 841 CB VAL A 56 -2.470 9.955 2.829 1.00 0.00 C ATOM 842 CG1 VAL A 56 -3.809 9.562 3.441 1.00 0.00 C ATOM 843 CG2 VAL A 56 -1.873 11.149 3.562 1.00 0.00 C ATOM 0 H VAL A 56 -0.172 10.092 1.892 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.305 8.476 3.885 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.647 10.235 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.486 10.416 3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.240 8.738 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.659 9.251 4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.579 11.979 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.667 10.875 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.945 11.448 3.075 1.00 0.00 H new ATOM 853 N MET A 57 -1.909 7.548 0.792 1.00 0.00 N ATOM 854 CA MET A 57 -2.439 6.454 -0.015 1.00 0.00 C ATOM 855 C MET A 57 -1.619 5.193 0.199 1.00 0.00 C ATOM 856 O MET A 57 -2.154 4.087 0.260 1.00 0.00 O ATOM 857 CB MET A 57 -2.433 6.832 -1.498 1.00 0.00 C ATOM 858 CG MET A 57 -2.976 5.742 -2.411 1.00 0.00 C ATOM 859 SD MET A 57 -4.725 5.402 -2.134 1.00 0.00 S ATOM 860 CE MET A 57 -5.464 6.919 -2.735 1.00 0.00 C ATOM 0 H MET A 57 -1.404 8.259 0.264 1.00 0.00 H new ATOM 0 HA MET A 57 -3.466 6.265 0.297 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.025 7.737 -1.635 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.413 7.070 -1.799 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.829 6.038 -3.450 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.404 4.827 -2.256 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.534 6.770 -2.881 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.305 7.715 -2.007 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.004 7.197 -3.683 1.00 0.00 H new ATOM 870 N GLY A 58 -0.313 5.377 0.303 1.00 0.00 N ATOM 871 CA GLY A 58 0.587 4.255 0.497 1.00 0.00 C ATOM 872 C GLY A 58 0.439 3.614 1.862 1.00 0.00 C ATOM 873 O GLY A 58 0.396 2.390 1.970 1.00 0.00 O ATOM 0 H GLY A 58 0.144 6.288 0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.399 3.507 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.615 4.593 0.369 1.00 0.00 H new ATOM 877 N LEU A 59 0.359 4.432 2.908 1.00 0.00 N ATOM 878 CA LEU A 59 0.207 3.915 4.260 1.00 0.00 C ATOM 879 C LEU A 59 -1.078 3.103 4.368 1.00 0.00 C ATOM 880 O LEU A 59 -1.114 2.050 5.004 1.00 0.00 O ATOM 881 CB LEU A 59 0.195 5.063 5.269 1.00 0.00 C ATOM 882 CG LEU A 59 1.499 5.860 5.357 1.00 0.00 C ATOM 883 CD1 LEU A 59 1.363 7.001 6.354 1.00 0.00 C ATOM 884 CD2 LEU A 59 2.653 4.948 5.741 1.00 0.00 C ATOM 0 H LEU A 59 0.397 5.449 2.844 1.00 0.00 H new ATOM 0 HA LEU A 59 1.053 3.265 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.614 5.746 5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.033 4.658 6.255 1.00 0.00 H new ATOM 0 HG LEU A 59 1.709 6.287 4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.300 7.556 6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.562 7.669 6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.129 6.597 7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.573 5.530 5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.450 4.492 6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.765 4.167 4.989 1.00 0.00 H new ATOM 896 N VAL A 60 -2.124 3.592 3.712 1.00 0.00 N ATOM 897 CA VAL A 60 -3.413 2.915 3.707 1.00 0.00 C ATOM 898 C VAL A 60 -3.347 1.633 2.882 1.00 0.00 C ATOM 899 O VAL A 60 -3.879 0.598 3.280 1.00 0.00 O ATOM 900 CB VAL A 60 -4.517 3.831 3.142 1.00 0.00 C ATOM 901 CG1 VAL A 60 -5.864 3.124 3.148 1.00 0.00 C ATOM 902 CG2 VAL A 60 -4.589 5.127 3.934 1.00 0.00 C ATOM 0 H VAL A 60 -2.103 4.459 3.175 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.656 2.665 4.740 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.266 4.070 2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.627 3.790 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.806 2.225 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.126 2.849 4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.373 5.762 3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.813 4.904 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.632 5.645 3.871 1.00 0.00 H new ATOM 912 N ASP A 61 -2.684 1.710 1.730 1.00 0.00 N ATOM 913 CA ASP A 61 -2.541 0.565 0.845 1.00 0.00 C ATOM 914 C ASP A 61 -1.447 -0.383 1.324 1.00 0.00 C ATOM 915 O ASP A 61 -1.350 -1.522 0.863 1.00 0.00 O ATOM 916 CB ASP A 61 -2.235 1.047 -0.572 1.00 0.00 C ATOM 917 CG ASP A 61 -3.432 1.708 -1.226 1.00 0.00 C ATOM 918 OD1 ASP A 61 -4.459 1.022 -1.415 1.00 0.00 O ATOM 919 OD2 ASP A 61 -3.347 2.912 -1.545 1.00 0.00 O ATOM 0 H ASP A 61 -2.236 2.561 1.390 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.481 0.013 0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.405 1.752 -0.542 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.913 0.201 -1.179 1.00 0.00 H new ATOM 924 N ALA A 62 -0.634 0.071 2.262 1.00 0.00 N ATOM 925 CA ALA A 62 0.420 -0.773 2.792 1.00 0.00 C ATOM 926 C ALA A 62 -0.178 -1.938 3.576 1.00 0.00 C ATOM 927 O ALA A 62 0.466 -2.965 3.759 1.00 0.00 O ATOM 928 CB ALA A 62 1.358 0.035 3.675 1.00 0.00 C ATOM 0 H ALA A 62 -0.682 1.006 2.667 1.00 0.00 H new ATOM 0 HA ALA A 62 0.995 -1.174 1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.142 -0.615 4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.808 0.837 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.797 0.463 4.506 1.00 0.00 H new ATOM 934 N ILE A 63 -1.418 -1.775 4.032 1.00 0.00 N ATOM 935 CA ILE A 63 -2.087 -2.819 4.796 1.00 0.00 C ATOM 936 C ILE A 63 -2.328 -4.068 3.949 1.00 0.00 C ATOM 937 O ILE A 63 -1.893 -5.156 4.327 1.00 0.00 O ATOM 938 CB ILE A 63 -3.408 -2.315 5.425 1.00 0.00 C ATOM 939 CG1 ILE A 63 -3.104 -1.239 6.466 1.00 0.00 C ATOM 940 CG2 ILE A 63 -4.180 -3.464 6.063 1.00 0.00 C ATOM 941 CD1 ILE A 63 -4.343 -0.669 7.124 1.00 0.00 C ATOM 0 H ILE A 63 -1.975 -0.933 3.885 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.417 -3.092 5.612 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.029 -1.889 4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.455 -1.660 7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.550 -0.430 5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.104 -3.084 6.498 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.416 -4.210 5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.572 -3.921 6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.053 0.089 7.852 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.983 -0.218 6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.887 -1.467 7.629 1.00 0.00 H new ATOM 953 N PRO A 64 -3.018 -3.958 2.795 1.00 0.00 N ATOM 954 CA PRO A 64 -3.273 -5.107 1.941 1.00 0.00 C ATOM 955 C PRO A 64 -2.044 -5.464 1.131 1.00 0.00 C ATOM 956 O PRO A 64 -1.845 -6.617 0.759 1.00 0.00 O ATOM 957 CB PRO A 64 -4.427 -4.647 1.031 1.00 0.00 C ATOM 958 CG PRO A 64 -4.832 -3.305 1.549 1.00 0.00 C ATOM 959 CD PRO A 64 -3.609 -2.750 2.213 1.00 0.00 C ATOM 0 HA PRO A 64 -3.523 -6.004 2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.106 -4.586 -0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.260 -5.350 1.067 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.168 -2.657 0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.658 -3.389 2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.939 -2.268 1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.856 -2.008 2.972 1.00 0.00 H new ATOM 967 N MET A 65 -1.201 -4.472 0.887 1.00 0.00 N ATOM 968 CA MET A 65 0.023 -4.700 0.149 1.00 0.00 C ATOM 969 C MET A 65 0.991 -5.507 1.007 1.00 0.00 C ATOM 970 O MET A 65 1.765 -6.316 0.498 1.00 0.00 O ATOM 971 CB MET A 65 0.644 -3.364 -0.246 1.00 0.00 C ATOM 972 CG MET A 65 1.946 -3.496 -1.006 1.00 0.00 C ATOM 973 SD MET A 65 1.775 -4.429 -2.540 1.00 0.00 S ATOM 974 CE MET A 65 0.648 -3.384 -3.460 1.00 0.00 C ATOM 0 H MET A 65 -1.344 -3.508 1.189 1.00 0.00 H new ATOM 0 HA MET A 65 -0.196 -5.262 -0.759 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.068 -2.810 -0.857 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.818 -2.775 0.654 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.330 -2.502 -1.233 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.684 -3.985 -0.370 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.654 -3.678 -4.510 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.359 -3.493 -3.058 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.963 -2.344 -3.373 1.00 0.00 H new ATOM 984 N ILE A 66 0.910 -5.297 2.321 1.00 0.00 N ATOM 985 CA ILE A 66 1.756 -6.017 3.268 1.00 0.00 C ATOM 986 C ILE A 66 1.164 -7.393 3.545 1.00 0.00 C ATOM 987 O ILE A 66 1.877 -8.392 3.548 1.00 0.00 O ATOM 988 CB ILE A 66 1.942 -5.208 4.586 1.00 0.00 C ATOM 989 CG1 ILE A 66 3.100 -4.209 4.437 1.00 0.00 C ATOM 990 CG2 ILE A 66 2.192 -6.109 5.794 1.00 0.00 C ATOM 991 CD1 ILE A 66 3.098 -3.425 3.139 1.00 0.00 C ATOM 0 H ILE A 66 0.266 -4.634 2.752 1.00 0.00 H new ATOM 0 HA ILE A 66 2.744 -6.144 2.826 1.00 0.00 H new ATOM 0 HB ILE A 66 1.010 -4.672 4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.065 -3.507 5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.042 -4.751 4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.315 -5.495 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.344 -6.780 5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.096 -6.695 5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.951 -2.746 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.167 -4.114 2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.175 -2.850 3.062 1.00 0.00 H new ATOM 1003 N ALA A 67 -0.146 -7.444 3.754 1.00 0.00 N ATOM 1004 CA ALA A 67 -0.816 -8.705 4.005 1.00 0.00 C ATOM 1005 C ALA A 67 -0.740 -9.588 2.771 1.00 0.00 C ATOM 1006 O ALA A 67 -0.294 -10.733 2.838 1.00 0.00 O ATOM 1007 CB ALA A 67 -2.262 -8.473 4.414 1.00 0.00 C ATOM 0 H ALA A 67 -0.759 -6.629 3.754 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.312 -9.212 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.747 -9.432 4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.291 -7.872 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.786 -7.949 3.615 1.00 0.00 H new ATOM 1013 N VAL A 68 -1.160 -9.037 1.639 1.00 0.00 N ATOM 1014 CA VAL A 68 -1.124 -9.763 0.381 1.00 0.00 C ATOM 1015 C VAL A 68 0.315 -9.993 -0.054 1.00 0.00 C ATOM 1016 O VAL A 68 0.669 -11.086 -0.487 1.00 0.00 O ATOM 1017 CB VAL A 68 -1.884 -9.007 -0.731 1.00 0.00 C ATOM 1018 CG1 VAL A 68 -1.823 -9.772 -2.049 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -3.331 -8.777 -0.317 1.00 0.00 C ATOM 0 H VAL A 68 -1.529 -8.089 1.569 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.616 -10.722 0.541 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.403 -8.040 -0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.365 -9.219 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.783 -9.890 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.277 -10.755 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.856 -8.243 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.817 -9.737 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.358 -8.186 0.598 1.00 0.00 H new ATOM 1029 N GLY A 69 1.143 -8.960 0.073 1.00 0.00 N ATOM 1030 CA GLY A 69 2.536 -9.084 -0.307 1.00 0.00 C ATOM 1031 C GLY A 69 3.265 -10.106 0.538 1.00 0.00 C ATOM 1032 O GLY A 69 4.035 -10.913 0.019 1.00 0.00 O ATOM 0 H GLY A 69 0.874 -8.043 0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.601 -9.369 -1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.026 -8.116 -0.208 1.00 0.00 H new ATOM 1036 N LEU A 70 3.015 -10.081 1.843 1.00 0.00 N ATOM 1037 CA LEU A 70 3.647 -11.022 2.759 1.00 0.00 C ATOM 1038 C LEU A 70 3.204 -12.437 2.429 1.00 0.00 C ATOM 1039 O LEU A 70 4.019 -13.358 2.355 1.00 0.00 O ATOM 1040 CB LEU A 70 3.285 -10.683 4.208 1.00 0.00 C ATOM 1041 CG LEU A 70 4.079 -11.430 5.286 1.00 0.00 C ATOM 1042 CD1 LEU A 70 3.771 -12.920 5.259 1.00 0.00 C ATOM 1043 CD2 LEU A 70 5.571 -11.188 5.110 1.00 0.00 C ATOM 0 H LEU A 70 2.380 -9.420 2.289 1.00 0.00 H new ATOM 0 HA LEU A 70 4.729 -10.949 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.425 -9.612 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.225 -10.889 4.356 1.00 0.00 H new ATOM 0 HG LEU A 70 3.776 -11.043 6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.348 -13.425 6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.707 -13.075 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.037 -13.329 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.120 -11.725 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.884 -11.544 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.779 -10.121 5.192 1.00 0.00 H new ATOM 1055 N GLY A 71 1.901 -12.601 2.230 1.00 0.00 N ATOM 1056 CA GLY A 71 1.360 -13.910 1.909 1.00 0.00 C ATOM 1057 C GLY A 71 1.968 -14.496 0.650 1.00 0.00 C ATOM 1058 O GLY A 71 2.505 -15.605 0.669 1.00 0.00 O ATOM 0 H GLY A 71 1.210 -11.853 2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.538 -14.588 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.280 -13.833 1.785 1.00 0.00 H new ATOM 1062 N LEU A 72 1.886 -13.754 -0.451 1.00 0.00 N ATOM 1063 CA LEU A 72 2.420 -14.220 -1.723 1.00 0.00 C ATOM 1064 C LEU A 72 3.940 -14.294 -1.695 1.00 0.00 C ATOM 1065 O LEU A 72 4.543 -15.118 -2.383 1.00 0.00 O ATOM 1066 CB LEU A 72 1.949 -13.329 -2.871 1.00 0.00 C ATOM 1067 CG LEU A 72 2.302 -11.849 -2.750 1.00 0.00 C ATOM 1068 CD1 LEU A 72 3.781 -11.617 -3.021 1.00 0.00 C ATOM 1069 CD2 LEU A 72 1.442 -11.022 -3.696 1.00 0.00 C ATOM 0 H LEU A 72 1.456 -12.830 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 72 2.039 -15.228 -1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.374 -13.710 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.866 -13.419 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 72 2.097 -11.530 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.006 -10.554 -2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.375 -12.178 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.023 -11.952 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.704 -9.968 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.615 -11.346 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.390 -11.158 -3.445 1.00 0.00 H new ATOM 1081 N TYR A 73 4.559 -13.452 -0.874 1.00 0.00 N ATOM 1082 CA TYR A 73 6.011 -13.441 -0.751 1.00 0.00 C ATOM 1083 C TYR A 73 6.512 -14.848 -0.457 1.00 0.00 C ATOM 1084 O TYR A 73 7.465 -15.325 -1.065 1.00 0.00 O ATOM 1085 CB TYR A 73 6.449 -12.485 0.363 1.00 0.00 C ATOM 1086 CG TYR A 73 7.948 -12.379 0.514 1.00 0.00 C ATOM 1087 CD1 TYR A 73 8.707 -11.631 -0.379 1.00 0.00 C ATOM 1088 CD2 TYR A 73 8.606 -13.050 1.535 1.00 0.00 C ATOM 1089 CE1 TYR A 73 10.082 -11.554 -0.255 1.00 0.00 C ATOM 1090 CE2 TYR A 73 9.981 -12.974 1.669 1.00 0.00 C ATOM 1091 CZ TYR A 73 10.714 -12.226 0.771 1.00 0.00 C ATOM 1092 OH TYR A 73 12.083 -12.152 0.898 1.00 0.00 O ATOM 0 H TYR A 73 4.079 -12.771 -0.286 1.00 0.00 H new ATOM 0 HA TYR A 73 6.440 -13.095 -1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.042 -11.494 0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.020 -12.820 1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.215 -11.102 -1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.036 -13.641 2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.658 -10.971 -0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.478 -13.498 2.472 1.00 0.00 H new ATOM 0 HH TYR A 73 12.369 -12.681 1.672 1.00 0.00 H new ATOM 1102 N VAL A 74 5.839 -15.509 0.476 1.00 0.00 N ATOM 1103 CA VAL A 74 6.183 -16.873 0.856 1.00 0.00 C ATOM 1104 C VAL A 74 5.365 -17.876 0.049 1.00 0.00 C ATOM 1105 O VAL A 74 5.790 -19.005 -0.187 1.00 0.00 O ATOM 1106 CB VAL A 74 5.937 -17.113 2.361 1.00 0.00 C ATOM 1107 CG1 VAL A 74 4.465 -16.927 2.701 1.00 0.00 C ATOM 1108 CG2 VAL A 74 6.418 -18.497 2.773 1.00 0.00 C ATOM 0 H VAL A 74 5.047 -15.119 0.987 1.00 0.00 H new ATOM 0 HA VAL A 74 7.243 -17.013 0.645 1.00 0.00 H new ATOM 0 HB VAL A 74 6.511 -16.376 2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.313 -17.101 3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.160 -15.911 2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.867 -17.636 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.235 -18.644 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.879 -19.254 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.486 -18.585 2.573 1.00 0.00 H new ATOM 1118 N MET A 75 4.169 -17.463 -0.348 1.00 0.00 N ATOM 1119 CA MET A 75 3.277 -18.328 -1.098 1.00 0.00 C ATOM 1120 C MET A 75 3.607 -18.348 -2.592 1.00 0.00 C ATOM 1121 O MET A 75 4.070 -19.355 -3.118 1.00 0.00 O ATOM 1122 CB MET A 75 1.831 -17.885 -0.871 1.00 0.00 C ATOM 1123 CG MET A 75 1.339 -18.152 0.543 1.00 0.00 C ATOM 1124 SD MET A 75 1.138 -19.910 0.889 1.00 0.00 S ATOM 1125 CE MET A 75 0.521 -19.857 2.571 1.00 0.00 C ATOM 0 H MET A 75 3.796 -16.532 -0.161 1.00 0.00 H new ATOM 0 HA MET A 75 3.412 -19.347 -0.735 1.00 0.00 H new ATOM 0 HB2 MET A 75 1.746 -16.819 -1.083 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.183 -18.403 -1.578 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.044 -17.724 1.256 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.386 -17.645 0.694 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.347 -20.872 2.927 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.254 -19.368 3.212 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.414 -19.298 2.598 1.00 0.00 H new ATOM 1135 N PHE A 76 3.350 -17.245 -3.278 1.00 0.00 N ATOM 1136 CA PHE A 76 3.602 -17.171 -4.716 1.00 0.00 C ATOM 1137 C PHE A 76 5.073 -17.376 -5.073 1.00 0.00 C ATOM 1138 O PHE A 76 5.382 -17.852 -6.166 1.00 0.00 O ATOM 1139 CB PHE A 76 3.116 -15.832 -5.279 1.00 0.00 C ATOM 1140 CG PHE A 76 1.624 -15.747 -5.440 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.784 -15.917 -4.354 1.00 0.00 C ATOM 1142 CD2 PHE A 76 1.062 -15.510 -6.682 1.00 0.00 C ATOM 1143 CE1 PHE A 76 -0.585 -15.852 -4.501 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -0.308 -15.443 -6.836 1.00 0.00 C ATOM 1145 CZ PHE A 76 -1.131 -15.614 -5.744 1.00 0.00 C ATOM 0 H PHE A 76 2.969 -16.392 -2.869 1.00 0.00 H new ATOM 0 HA PHE A 76 3.041 -17.988 -5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.447 -15.030 -4.620 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.587 -15.663 -6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.207 -16.103 -3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.703 -15.376 -7.541 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.228 -15.987 -3.644 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.734 -15.257 -7.811 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.203 -15.562 -5.862 1.00 0.00 H new ATOM 1155 N ALA A 77 5.983 -17.021 -4.171 1.00 0.00 N ATOM 1156 CA ALA A 77 7.404 -17.175 -4.446 1.00 0.00 C ATOM 1157 C ALA A 77 7.967 -18.438 -3.819 1.00 0.00 C ATOM 1158 O ALA A 77 8.514 -19.299 -4.508 1.00 0.00 O ATOM 1159 CB ALA A 77 8.176 -15.956 -3.970 1.00 0.00 C ATOM 0 H ALA A 77 5.764 -16.630 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 77 7.519 -17.265 -5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.236 -16.090 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.811 -15.069 -4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.036 -15.833 -2.896 1.00 0.00 H new ATOM 1165 N VAL A 78 7.846 -18.532 -2.509 1.00 0.00 N ATOM 1166 CA VAL A 78 8.356 -19.682 -1.777 1.00 0.00 C ATOM 1167 C VAL A 78 7.367 -20.850 -1.780 1.00 0.00 C ATOM 1168 O VAL A 78 7.666 -21.918 -1.243 1.00 0.00 O ATOM 1169 CB VAL A 78 8.713 -19.306 -0.321 1.00 0.00 C ATOM 1170 CG1 VAL A 78 9.302 -20.499 0.420 1.00 0.00 C ATOM 1171 CG2 VAL A 78 9.675 -18.128 -0.296 1.00 0.00 C ATOM 0 H VAL A 78 7.398 -17.825 -1.926 1.00 0.00 H new ATOM 0 HA VAL A 78 9.261 -20.001 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 78 7.796 -19.013 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.545 -20.209 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.576 -21.312 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.207 -20.832 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.916 -17.877 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.589 -18.393 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.211 -17.269 -0.780 1.00 0.00 H new ATOM 1181 N ALA A 79 6.192 -20.660 -2.386 1.00 0.00 N ATOM 1182 CA ALA A 79 5.195 -21.729 -2.441 1.00 0.00 C ATOM 1183 C ALA A 79 4.708 -22.099 -1.044 1.00 0.00 C ATOM 1184 O ALA A 79 3.515 -22.306 -0.826 1.00 0.00 O ATOM 1185 CB ALA A 79 5.772 -22.951 -3.141 1.00 0.00 C ATOM 0 H ALA A 79 5.912 -19.790 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 79 4.340 -21.366 -3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.020 -23.739 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.065 -22.684 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.645 -23.306 -2.593 1.00 0.00 H new TER 1191 ALA A 79