USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=12 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 Set 1.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -144:sc= -0.236 (180deg=-0.866) USER MOD Single : A 1 MET N :NH3+ -119:sc= -1.87 (180deg=-3.88!) USER MOD Single : A 3 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.22) USER MOD Single : A 5 ASN : amide:sc= -0.0417 K(o=-0.042,f=-0.69) USER MOD Single : A 6 MET CE :methyl 178:sc= -1.74 (180deg=-1.89) USER MOD Single : A 11 MET CE :methyl -174:sc= -1.3 (180deg=-1.38) USER MOD Single : A 16 MET CE :methyl -110:sc= -4.29! (180deg=-9.43!) USER MOD Single : A 17 MET CE :methyl 142:sc= -7.35! (180deg=-10.6!) USER MOD Single : A 34 LYS NZ :NH3+ -112:sc= -2.3! (180deg=-6.08!) USER MOD Single : A 42 GLN : amide:sc= -1.05 K(o=-1,f=-3.5!) USER MOD Single : A 51 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 52 GLN : amide:sc=-0.00123 X(o=-0.0012,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 161:sc= -3.04! (180deg=-4.41!) USER MOD Single : A 75 MET CE :methyl -176:sc=-0.00712 (180deg=-0.0174) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.944 -27.561 6.564 1.00 0.00 N ATOM 2 CA MET A 1 -2.493 -27.259 6.406 1.00 0.00 C ATOM 3 C MET A 1 -2.085 -27.236 4.935 1.00 0.00 C ATOM 4 O MET A 1 -1.858 -26.172 4.360 1.00 0.00 O ATOM 5 CB MET A 1 -1.679 -28.316 7.160 1.00 0.00 C ATOM 6 CG MET A 1 -1.867 -28.269 8.669 1.00 0.00 C ATOM 7 SD MET A 1 -0.887 -29.513 9.529 1.00 0.00 S ATOM 8 CE MET A 1 -1.531 -31.016 8.797 1.00 0.00 C ATOM 0 H1 MET A 1 -4.415 -26.763 7.037 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.371 -27.710 5.628 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.059 -28.420 7.138 1.00 0.00 H new ATOM 0 HA MET A 1 -2.296 -26.269 6.818 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.960 -29.305 6.798 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.622 -28.181 6.930 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.593 -27.279 9.035 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.921 -28.415 8.905 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.564 -31.803 9.551 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.537 -30.834 8.418 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.885 -31.327 7.976 1.00 0.00 H new ATOM 20 N GLU A 2 -1.988 -28.418 4.334 1.00 0.00 N ATOM 21 CA GLU A 2 -1.600 -28.544 2.933 1.00 0.00 C ATOM 22 C GLU A 2 -2.405 -27.600 2.042 1.00 0.00 C ATOM 23 O GLU A 2 -1.851 -26.938 1.164 1.00 0.00 O ATOM 24 CB GLU A 2 -1.785 -29.987 2.460 1.00 0.00 C ATOM 25 CG GLU A 2 -3.216 -30.489 2.579 1.00 0.00 C ATOM 26 CD GLU A 2 -3.375 -31.923 2.111 1.00 0.00 C ATOM 27 OE1 GLU A 2 -2.365 -32.528 1.692 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.510 -32.441 2.163 1.00 0.00 O ATOM 0 H GLU A 2 -2.174 -29.307 4.798 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.548 -28.269 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.468 -30.063 1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.131 -30.637 3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.538 -30.412 3.617 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.872 -29.845 1.993 1.00 0.00 H new ATOM 35 N ASN A 3 -3.714 -27.545 2.268 1.00 0.00 N ATOM 36 CA ASN A 3 -4.591 -26.686 1.480 1.00 0.00 C ATOM 37 C ASN A 3 -4.690 -25.294 2.091 1.00 0.00 C ATOM 38 O ASN A 3 -4.814 -24.299 1.375 1.00 0.00 O ATOM 39 CB ASN A 3 -5.982 -27.309 1.367 1.00 0.00 C ATOM 40 CG ASN A 3 -5.956 -28.668 0.696 1.00 0.00 C ATOM 41 OD1 ASN A 3 -5.529 -28.799 -0.451 1.00 0.00 O ATOM 42 ND2 ASN A 3 -6.414 -29.689 1.410 1.00 0.00 N ATOM 0 H ASN A 3 -4.191 -28.085 2.990 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.161 -26.591 0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -6.415 -27.407 2.363 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -6.631 -26.640 0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.421 -30.628 1.011 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -6.759 -29.535 2.358 1.00 0.00 H new ATOM 49 N LEU A 4 -4.630 -25.226 3.416 1.00 0.00 N ATOM 50 CA LEU A 4 -4.708 -23.949 4.115 1.00 0.00 C ATOM 51 C LEU A 4 -3.420 -23.151 3.942 1.00 0.00 C ATOM 52 O LEU A 4 -3.369 -21.963 4.259 1.00 0.00 O ATOM 53 CB LEU A 4 -4.997 -24.166 5.603 1.00 0.00 C ATOM 54 CG LEU A 4 -6.395 -24.704 5.923 1.00 0.00 C ATOM 55 CD1 LEU A 4 -6.632 -26.040 5.235 1.00 0.00 C ATOM 56 CD2 LEU A 4 -6.578 -24.840 7.427 1.00 0.00 C ATOM 0 H LEU A 4 -4.528 -26.037 4.026 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.527 -23.378 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.258 -24.860 6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.861 -23.219 6.125 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.130 -23.993 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.631 -26.402 5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.543 -25.914 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.891 -26.762 5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.576 -25.223 7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.833 -25.530 7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.456 -23.865 7.898 1.00 0.00 H new ATOM 68 N ASN A 5 -2.385 -23.809 3.433 1.00 0.00 N ATOM 69 CA ASN A 5 -1.111 -23.161 3.218 1.00 0.00 C ATOM 70 C ASN A 5 -1.214 -22.166 2.075 1.00 0.00 C ATOM 71 O ASN A 5 -1.173 -20.954 2.289 1.00 0.00 O ATOM 72 CB ASN A 5 -0.033 -24.200 2.928 1.00 0.00 C ATOM 73 CG ASN A 5 1.358 -23.608 2.972 1.00 0.00 C ATOM 74 OD1 ASN A 5 1.741 -22.816 2.110 1.00 0.00 O ATOM 75 ND2 ASN A 5 2.113 -23.977 3.996 1.00 0.00 N ATOM 0 H ASN A 5 -2.410 -24.792 3.163 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.835 -22.620 4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -0.105 -25.008 3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.208 -24.639 1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.056 -23.602 4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.751 -24.636 4.685 1.00 0.00 H new ATOM 82 N MET A 6 -1.369 -22.680 0.859 1.00 0.00 N ATOM 83 CA MET A 6 -1.503 -21.827 -0.306 1.00 0.00 C ATOM 84 C MET A 6 -2.614 -20.809 -0.087 1.00 0.00 C ATOM 85 O MET A 6 -2.593 -19.718 -0.648 1.00 0.00 O ATOM 86 CB MET A 6 -1.812 -22.656 -1.555 1.00 0.00 C ATOM 87 CG MET A 6 -0.713 -23.630 -1.940 1.00 0.00 C ATOM 88 SD MET A 6 0.888 -22.829 -2.145 1.00 0.00 S ATOM 89 CE MET A 6 1.911 -24.229 -2.594 1.00 0.00 C ATOM 0 H MET A 6 -1.404 -23.680 0.660 1.00 0.00 H new ATOM 0 HA MET A 6 -0.557 -21.307 -0.454 1.00 0.00 H new ATOM 0 HB2 MET A 6 -2.734 -23.213 -1.389 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.993 -21.980 -2.391 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.633 -24.402 -1.174 1.00 0.00 H new ATOM 0 HG3 MET A 6 -0.986 -24.130 -2.869 1.00 0.00 H new ATOM 0 HE1 MET A 6 2.928 -23.889 -2.789 1.00 0.00 H new ATOM 0 HE2 MET A 6 1.920 -24.950 -1.776 1.00 0.00 H new ATOM 0 HE3 MET A 6 1.508 -24.702 -3.490 1.00 0.00 H new ATOM 99 N ASP A 7 -3.587 -21.181 0.740 1.00 0.00 N ATOM 100 CA ASP A 7 -4.711 -20.306 1.034 1.00 0.00 C ATOM 101 C ASP A 7 -4.275 -19.118 1.881 1.00 0.00 C ATOM 102 O ASP A 7 -4.714 -17.992 1.658 1.00 0.00 O ATOM 103 CB ASP A 7 -5.815 -21.084 1.753 1.00 0.00 C ATOM 104 CG ASP A 7 -7.028 -20.225 2.057 1.00 0.00 C ATOM 105 OD1 ASP A 7 -7.639 -19.702 1.102 1.00 0.00 O ATOM 106 OD2 ASP A 7 -7.367 -20.077 3.249 1.00 0.00 O ATOM 0 H ASP A 7 -3.617 -22.082 1.217 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.098 -19.927 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.119 -21.931 1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.420 -21.492 2.684 1.00 0.00 H new ATOM 111 N LEU A 8 -3.413 -19.376 2.859 1.00 0.00 N ATOM 112 CA LEU A 8 -2.930 -18.323 3.744 1.00 0.00 C ATOM 113 C LEU A 8 -1.940 -17.403 3.037 1.00 0.00 C ATOM 114 O LEU A 8 -2.110 -16.188 3.034 1.00 0.00 O ATOM 115 CB LEU A 8 -2.278 -18.932 4.987 1.00 0.00 C ATOM 116 CG LEU A 8 -1.733 -17.920 5.997 1.00 0.00 C ATOM 117 CD1 LEU A 8 -2.853 -17.041 6.535 1.00 0.00 C ATOM 118 CD2 LEU A 8 -1.018 -18.636 7.134 1.00 0.00 C ATOM 0 H LEU A 8 -3.036 -20.302 3.058 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.791 -17.725 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.010 -19.565 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.461 -19.580 4.669 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.013 -17.279 5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.444 -16.329 7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.319 -16.500 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.599 -17.664 7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.636 -17.902 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.716 -19.302 7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.188 -19.218 6.733 1.00 0.00 H new ATOM 130 N LEU A 9 -0.902 -17.986 2.447 1.00 0.00 N ATOM 131 CA LEU A 9 0.117 -17.205 1.746 1.00 0.00 C ATOM 132 C LEU A 9 -0.490 -16.414 0.589 1.00 0.00 C ATOM 133 O LEU A 9 -0.247 -15.213 0.441 1.00 0.00 O ATOM 134 CB LEU A 9 1.219 -18.128 1.221 1.00 0.00 C ATOM 135 CG LEU A 9 1.968 -18.923 2.293 1.00 0.00 C ATOM 136 CD1 LEU A 9 2.996 -19.840 1.653 1.00 0.00 C ATOM 137 CD2 LEU A 9 2.634 -17.980 3.284 1.00 0.00 C ATOM 0 H LEU A 9 -0.742 -18.993 2.439 1.00 0.00 H new ATOM 0 HA LEU A 9 0.544 -16.497 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.777 -18.830 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.940 -17.528 0.666 1.00 0.00 H new ATOM 0 HG LEU A 9 1.249 -19.539 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.519 -20.398 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.494 -20.537 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.713 -19.244 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.163 -18.561 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.342 -17.340 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.875 -17.363 3.765 1.00 0.00 H new ATOM 149 N TYR A 10 -1.272 -17.099 -0.233 1.00 0.00 N ATOM 150 CA TYR A 10 -1.915 -16.481 -1.387 1.00 0.00 C ATOM 151 C TYR A 10 -2.909 -15.411 -0.937 1.00 0.00 C ATOM 152 O TYR A 10 -2.779 -14.233 -1.288 1.00 0.00 O ATOM 153 CB TYR A 10 -2.608 -17.574 -2.200 1.00 0.00 C ATOM 154 CG TYR A 10 -2.971 -17.206 -3.621 1.00 0.00 C ATOM 155 CD1 TYR A 10 -3.142 -15.886 -4.023 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.157 -18.207 -4.559 1.00 0.00 C ATOM 157 CE1 TYR A 10 -3.485 -15.582 -5.328 1.00 0.00 C ATOM 158 CE2 TYR A 10 -3.499 -17.914 -5.862 1.00 0.00 C ATOM 159 CZ TYR A 10 -3.662 -16.599 -6.243 1.00 0.00 C ATOM 160 OH TYR A 10 -4.004 -16.301 -7.543 1.00 0.00 O ATOM 0 H TYR A 10 -1.479 -18.092 -0.122 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.169 -15.987 -2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.958 -18.449 -2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.518 -17.868 -1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.005 -15.088 -3.308 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.032 -19.238 -4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.614 -14.553 -5.629 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.638 -18.709 -6.579 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.089 -17.131 -8.057 1.00 0.00 H new ATOM 170 N MET A 11 -3.891 -15.816 -0.133 1.00 0.00 N ATOM 171 CA MET A 11 -4.880 -14.874 0.372 1.00 0.00 C ATOM 172 C MET A 11 -4.195 -13.763 1.159 1.00 0.00 C ATOM 173 O MET A 11 -4.764 -12.692 1.366 1.00 0.00 O ATOM 174 CB MET A 11 -5.903 -15.585 1.259 1.00 0.00 C ATOM 175 CG MET A 11 -7.019 -14.676 1.748 1.00 0.00 C ATOM 176 SD MET A 11 -8.212 -15.539 2.788 1.00 0.00 S ATOM 177 CE MET A 11 -8.808 -16.790 1.652 1.00 0.00 C ATOM 0 H MET A 11 -4.020 -16.779 0.178 1.00 0.00 H new ATOM 0 HA MET A 11 -5.402 -14.439 -0.480 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.339 -16.415 0.703 1.00 0.00 H new ATOM 0 HB3 MET A 11 -5.390 -16.013 2.120 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.588 -13.847 2.308 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.535 -14.246 0.889 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.630 -17.338 2.113 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.158 -16.313 0.737 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.999 -17.481 1.414 1.00 0.00 H new ATOM 187 N ALA A 12 -2.963 -14.028 1.595 1.00 0.00 N ATOM 188 CA ALA A 12 -2.202 -13.059 2.351 1.00 0.00 C ATOM 189 C ALA A 12 -1.763 -11.915 1.457 1.00 0.00 C ATOM 190 O ALA A 12 -2.054 -10.764 1.732 1.00 0.00 O ATOM 191 CB ALA A 12 -0.997 -13.713 3.011 1.00 0.00 C ATOM 0 H ALA A 12 -2.478 -14.911 1.432 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.844 -12.659 3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.440 -12.964 3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.334 -14.499 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.353 -14.145 2.245 1.00 0.00 H new ATOM 197 N ALA A 13 -1.060 -12.240 0.381 1.00 0.00 N ATOM 198 CA ALA A 13 -0.586 -11.229 -0.547 1.00 0.00 C ATOM 199 C ALA A 13 -1.734 -10.593 -1.325 1.00 0.00 C ATOM 200 O ALA A 13 -1.574 -9.519 -1.900 1.00 0.00 O ATOM 201 CB ALA A 13 0.433 -11.828 -1.502 1.00 0.00 C ATOM 0 H ALA A 13 -0.807 -13.196 0.131 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.109 -10.442 0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.780 -11.059 -2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.279 -12.216 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.029 -12.639 -2.065 1.00 0.00 H new ATOM 207 N ALA A 14 -2.896 -11.239 -1.337 1.00 0.00 N ATOM 208 CA ALA A 14 -4.042 -10.685 -2.050 1.00 0.00 C ATOM 209 C ALA A 14 -4.776 -9.704 -1.156 1.00 0.00 C ATOM 210 O ALA A 14 -5.257 -8.661 -1.601 1.00 0.00 O ATOM 211 CB ALA A 14 -4.974 -11.795 -2.513 1.00 0.00 C ATOM 0 H ALA A 14 -3.068 -12.130 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.687 -10.156 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.822 -11.361 -3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.435 -12.468 -3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.333 -12.353 -1.648 1.00 0.00 H new ATOM 217 N VAL A 15 -4.831 -10.054 0.114 1.00 0.00 N ATOM 218 CA VAL A 15 -5.473 -9.240 1.125 1.00 0.00 C ATOM 219 C VAL A 15 -4.570 -8.075 1.534 1.00 0.00 C ATOM 220 O VAL A 15 -5.030 -6.947 1.718 1.00 0.00 O ATOM 221 CB VAL A 15 -5.786 -10.115 2.350 1.00 0.00 C ATOM 222 CG1 VAL A 15 -6.160 -9.269 3.561 1.00 0.00 C ATOM 223 CG2 VAL A 15 -6.899 -11.100 2.023 1.00 0.00 C ATOM 0 H VAL A 15 -4.428 -10.918 0.475 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.397 -8.829 0.718 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.884 -10.672 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.375 -9.921 4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.331 -8.608 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.042 -8.672 3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.111 -11.713 2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.797 -10.552 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.587 -11.741 1.198 1.00 0.00 H new ATOM 233 N MET A 16 -3.283 -8.369 1.665 1.00 0.00 N ATOM 234 CA MET A 16 -2.290 -7.375 2.046 1.00 0.00 C ATOM 235 C MET A 16 -1.959 -6.457 0.886 1.00 0.00 C ATOM 236 O MET A 16 -1.874 -5.248 1.067 1.00 0.00 O ATOM 237 CB MET A 16 -1.009 -8.044 2.564 1.00 0.00 C ATOM 238 CG MET A 16 -0.892 -8.038 4.082 1.00 0.00 C ATOM 239 SD MET A 16 -2.297 -8.817 4.903 1.00 0.00 S ATOM 240 CE MET A 16 -2.096 -10.520 4.392 1.00 0.00 C ATOM 0 H MET A 16 -2.899 -9.301 1.510 1.00 0.00 H new ATOM 0 HA MET A 16 -2.722 -6.778 2.849 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.978 -9.074 2.209 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.145 -7.534 2.139 1.00 0.00 H new ATOM 0 HG2 MET A 16 0.023 -8.555 4.372 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.801 -7.009 4.429 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.889 -10.786 3.694 1.00 0.00 H new ATOM 0 HE2 MET A 16 -1.128 -10.642 3.906 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.148 -11.170 5.265 1.00 0.00 H new ATOM 250 N MET A 17 -1.766 -7.014 -0.308 1.00 0.00 N ATOM 251 CA MET A 17 -1.443 -6.174 -1.453 1.00 0.00 C ATOM 252 C MET A 17 -2.687 -5.514 -1.998 1.00 0.00 C ATOM 253 O MET A 17 -2.643 -4.371 -2.443 1.00 0.00 O ATOM 254 CB MET A 17 -0.753 -6.968 -2.562 1.00 0.00 C ATOM 255 CG MET A 17 0.467 -7.746 -2.105 1.00 0.00 C ATOM 256 SD MET A 17 1.235 -8.663 -3.456 1.00 0.00 S ATOM 257 CE MET A 17 1.530 -7.348 -4.635 1.00 0.00 C ATOM 0 H MET A 17 -1.826 -8.013 -0.503 1.00 0.00 H new ATOM 0 HA MET A 17 -0.752 -5.407 -1.104 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.471 -7.663 -2.996 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.456 -6.281 -3.354 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.195 -7.058 -1.675 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.179 -8.439 -1.315 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.485 -7.514 -5.134 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.731 -7.338 -5.376 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.554 -6.391 -4.114 1.00 0.00 H new ATOM 267 N GLY A 18 -3.804 -6.212 -1.943 1.00 0.00 N ATOM 268 CA GLY A 18 -5.024 -5.614 -2.414 1.00 0.00 C ATOM 269 C GLY A 18 -5.393 -4.446 -1.531 1.00 0.00 C ATOM 270 O GLY A 18 -5.542 -3.315 -1.995 1.00 0.00 O ATOM 0 H GLY A 18 -3.887 -7.164 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.902 -5.279 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.826 -6.352 -2.412 1.00 0.00 H new ATOM 274 N LEU A 19 -5.514 -4.731 -0.241 1.00 0.00 N ATOM 275 CA LEU A 19 -5.862 -3.716 0.739 1.00 0.00 C ATOM 276 C LEU A 19 -4.757 -2.672 0.914 1.00 0.00 C ATOM 277 O LEU A 19 -5.052 -1.513 1.213 1.00 0.00 O ATOM 278 CB LEU A 19 -6.176 -4.385 2.084 1.00 0.00 C ATOM 279 CG LEU A 19 -6.716 -3.458 3.181 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.280 -4.277 4.332 1.00 0.00 C ATOM 281 CD2 LEU A 19 -5.627 -2.521 3.687 1.00 0.00 C ATOM 0 H LEU A 19 -5.375 -5.663 0.150 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.743 -3.190 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.905 -5.177 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.267 -4.862 2.452 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.515 -2.853 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.660 -3.607 5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.091 -4.907 3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.494 -4.905 4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.035 -1.874 4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.805 -3.107 4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.260 -1.910 2.862 1.00 0.00 H new ATOM 293 N ALA A 20 -3.487 -3.056 0.745 1.00 0.00 N ATOM 294 CA ALA A 20 -2.411 -2.091 0.929 1.00 0.00 C ATOM 295 C ALA A 20 -2.099 -1.344 -0.346 1.00 0.00 C ATOM 296 O ALA A 20 -2.205 -0.127 -0.393 1.00 0.00 O ATOM 297 CB ALA A 20 -1.165 -2.765 1.456 1.00 0.00 C ATOM 0 H ALA A 20 -3.190 -3.998 0.489 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.757 -1.365 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.377 -2.023 1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.383 -3.233 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.836 -3.525 0.748 1.00 0.00 H new ATOM 303 N ALA A 21 -1.708 -2.066 -1.382 1.00 0.00 N ATOM 304 CA ALA A 21 -1.390 -1.432 -2.648 1.00 0.00 C ATOM 305 C ALA A 21 -2.522 -0.497 -3.064 1.00 0.00 C ATOM 306 O ALA A 21 -2.276 0.583 -3.600 1.00 0.00 O ATOM 307 CB ALA A 21 -1.129 -2.475 -3.724 1.00 0.00 C ATOM 0 H ALA A 21 -1.604 -3.081 -1.372 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.480 -0.844 -2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.893 -1.977 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.290 -3.104 -3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.017 -3.093 -3.854 1.00 0.00 H new ATOM 313 N ILE A 22 -3.767 -0.904 -2.792 1.00 0.00 N ATOM 314 CA ILE A 22 -4.913 -0.070 -3.123 1.00 0.00 C ATOM 315 C ILE A 22 -5.124 0.989 -2.044 1.00 0.00 C ATOM 316 O ILE A 22 -5.395 2.146 -2.357 1.00 0.00 O ATOM 317 CB ILE A 22 -6.201 -0.899 -3.307 1.00 0.00 C ATOM 318 CG1 ILE A 22 -6.135 -1.728 -4.596 1.00 0.00 C ATOM 319 CG2 ILE A 22 -7.428 0.005 -3.331 1.00 0.00 C ATOM 320 CD1 ILE A 22 -4.887 -2.576 -4.735 1.00 0.00 C ATOM 0 H ILE A 22 -3.999 -1.794 -2.350 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.696 0.416 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.285 -1.578 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.008 -2.379 -4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.198 -1.054 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.324 -0.601 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.495 0.553 -2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.344 0.711 -4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.925 -3.128 -5.674 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.007 -1.933 -4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.830 -3.279 -3.904 1.00 0.00 H new ATOM 332 N GLY A 23 -4.973 0.608 -0.770 1.00 0.00 N ATOM 333 CA GLY A 23 -5.128 1.584 0.296 1.00 0.00 C ATOM 334 C GLY A 23 -4.198 2.758 0.075 1.00 0.00 C ATOM 335 O GLY A 23 -4.542 3.910 0.345 1.00 0.00 O ATOM 0 H GLY A 23 -4.751 -0.340 -0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.160 1.931 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.914 1.118 1.258 1.00 0.00 H new ATOM 339 N ALA A 24 -3.024 2.443 -0.455 1.00 0.00 N ATOM 340 CA ALA A 24 -2.011 3.431 -0.770 1.00 0.00 C ATOM 341 C ALA A 24 -2.446 4.240 -1.980 1.00 0.00 C ATOM 342 O ALA A 24 -2.508 5.465 -1.931 1.00 0.00 O ATOM 343 CB ALA A 24 -0.686 2.738 -1.048 1.00 0.00 C ATOM 0 H ALA A 24 -2.749 1.486 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.884 4.104 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.072 3.484 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.378 2.174 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.801 2.058 -1.892 1.00 0.00 H new ATOM 349 N ALA A 25 -2.766 3.540 -3.067 1.00 0.00 N ATOM 350 CA ALA A 25 -3.212 4.205 -4.289 1.00 0.00 C ATOM 351 C ALA A 25 -4.371 5.155 -3.993 1.00 0.00 C ATOM 352 O ALA A 25 -4.226 6.381 -4.062 1.00 0.00 O ATOM 353 CB ALA A 25 -3.621 3.176 -5.333 1.00 0.00 C ATOM 0 H ALA A 25 -2.725 2.523 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.382 4.790 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.951 3.687 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.770 2.537 -5.567 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.436 2.566 -4.943 1.00 0.00 H new ATOM 359 N ILE A 26 -5.516 4.579 -3.641 1.00 0.00 N ATOM 360 CA ILE A 26 -6.699 5.364 -3.312 1.00 0.00 C ATOM 361 C ILE A 26 -6.349 6.472 -2.342 1.00 0.00 C ATOM 362 O ILE A 26 -6.685 7.621 -2.577 1.00 0.00 O ATOM 363 CB ILE A 26 -7.808 4.489 -2.698 1.00 0.00 C ATOM 364 CG1 ILE A 26 -8.140 3.316 -3.623 1.00 0.00 C ATOM 365 CG2 ILE A 26 -9.055 5.320 -2.422 1.00 0.00 C ATOM 366 CD1 ILE A 26 -8.610 3.742 -4.996 1.00 0.00 C ATOM 0 H ILE A 26 -5.649 3.570 -3.576 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.069 5.793 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.445 4.089 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.256 2.687 -3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.913 2.704 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.827 4.684 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.811 6.122 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.420 5.749 -3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.827 2.859 -5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.512 4.346 -4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.830 4.329 -5.482 1.00 0.00 H new ATOM 378 N GLY A 27 -5.660 6.128 -1.257 1.00 0.00 N ATOM 379 CA GLY A 27 -5.276 7.138 -0.292 1.00 0.00 C ATOM 380 C GLY A 27 -4.595 8.308 -0.948 1.00 0.00 C ATOM 381 O GLY A 27 -5.096 9.419 -0.899 1.00 0.00 O ATOM 0 H GLY A 27 -5.364 5.178 -1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.160 7.485 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.609 6.698 0.449 1.00 0.00 H new ATOM 385 N ILE A 28 -3.463 8.057 -1.590 1.00 0.00 N ATOM 386 CA ILE A 28 -2.743 9.116 -2.282 1.00 0.00 C ATOM 387 C ILE A 28 -3.729 9.986 -3.049 1.00 0.00 C ATOM 388 O ILE A 28 -3.565 11.202 -3.145 1.00 0.00 O ATOM 389 CB ILE A 28 -1.702 8.534 -3.254 1.00 0.00 C ATOM 390 CG1 ILE A 28 -0.710 7.664 -2.489 1.00 0.00 C ATOM 391 CG2 ILE A 28 -0.976 9.649 -3.994 1.00 0.00 C ATOM 392 CD1 ILE A 28 0.090 6.739 -3.378 1.00 0.00 C ATOM 0 H ILE A 28 -3.026 7.137 -1.646 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.219 9.717 -1.539 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.216 7.918 -3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.025 8.307 -1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.252 7.070 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.244 9.216 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.696 10.239 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.467 10.291 -3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.775 6.150 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.587 6.071 -3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.659 7.328 -4.097 1.00 0.00 H new ATOM 404 N GLY A 29 -4.775 9.343 -3.563 1.00 0.00 N ATOM 405 CA GLY A 29 -5.798 10.065 -4.290 1.00 0.00 C ATOM 406 C GLY A 29 -6.706 10.852 -3.365 1.00 0.00 C ATOM 407 O GLY A 29 -7.043 12.003 -3.649 1.00 0.00 O ATOM 0 H GLY A 29 -4.929 8.338 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.327 10.745 -5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.394 9.361 -4.871 1.00 0.00 H new ATOM 411 N ILE A 30 -7.098 10.238 -2.249 1.00 0.00 N ATOM 412 CA ILE A 30 -7.969 10.905 -1.286 1.00 0.00 C ATOM 413 C ILE A 30 -7.200 11.978 -0.526 1.00 0.00 C ATOM 414 O ILE A 30 -7.499 13.169 -0.623 1.00 0.00 O ATOM 415 CB ILE A 30 -8.567 9.899 -0.279 1.00 0.00 C ATOM 416 CG1 ILE A 30 -9.318 8.790 -1.018 1.00 0.00 C ATOM 417 CG2 ILE A 30 -9.496 10.606 0.700 1.00 0.00 C ATOM 418 CD1 ILE A 30 -10.464 9.296 -1.864 1.00 0.00 C ATOM 0 H ILE A 30 -6.828 9.288 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.783 11.365 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.749 9.451 0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.617 8.250 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.702 8.075 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.907 9.879 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.937 11.364 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.309 11.081 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.950 8.455 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.185 9.810 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.084 9.988 -2.615 1.00 0.00 H new ATOM 430 N LEU A 31 -6.200 11.537 0.220 1.00 0.00 N ATOM 431 CA LEU A 31 -5.360 12.430 0.995 1.00 0.00 C ATOM 432 C LEU A 31 -4.658 13.433 0.086 1.00 0.00 C ATOM 433 O LEU A 31 -4.557 14.610 0.415 1.00 0.00 O ATOM 434 CB LEU A 31 -4.331 11.618 1.788 1.00 0.00 C ATOM 435 CG LEU A 31 -4.329 11.874 3.296 1.00 0.00 C ATOM 436 CD1 LEU A 31 -3.288 11.003 3.982 1.00 0.00 C ATOM 437 CD2 LEU A 31 -4.074 13.345 3.587 1.00 0.00 C ATOM 0 H LEU A 31 -5.950 10.552 0.304 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.989 12.985 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.516 10.558 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.338 11.837 1.396 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.310 11.612 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.300 11.198 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.516 9.953 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.300 11.233 3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.076 13.508 4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.106 13.634 3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.857 13.948 3.127 1.00 0.00 H new ATOM 449 N GLY A 32 -4.171 12.969 -1.060 1.00 0.00 N ATOM 450 CA GLY A 32 -3.489 13.863 -1.974 1.00 0.00 C ATOM 451 C GLY A 32 -4.443 14.783 -2.712 1.00 0.00 C ATOM 452 O GLY A 32 -4.062 15.880 -3.121 1.00 0.00 O ATOM 0 H GLY A 32 -4.236 11.999 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.768 14.463 -1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.924 13.275 -2.698 1.00 0.00 H new ATOM 456 N GLY A 33 -5.684 14.338 -2.885 1.00 0.00 N ATOM 457 CA GLY A 33 -6.668 15.146 -3.583 1.00 0.00 C ATOM 458 C GLY A 33 -7.366 16.148 -2.680 1.00 0.00 C ATOM 459 O GLY A 33 -7.964 17.110 -3.162 1.00 0.00 O ATOM 0 H GLY A 33 -6.025 13.435 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.179 15.680 -4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.414 14.491 -4.033 1.00 0.00 H new ATOM 463 N LYS A 34 -7.305 15.922 -1.369 1.00 0.00 N ATOM 464 CA LYS A 34 -7.953 16.818 -0.413 1.00 0.00 C ATOM 465 C LYS A 34 -6.934 17.626 0.390 1.00 0.00 C ATOM 466 O LYS A 34 -7.065 18.842 0.528 1.00 0.00 O ATOM 467 CB LYS A 34 -8.843 16.016 0.538 1.00 0.00 C ATOM 468 CG LYS A 34 -9.948 15.247 -0.166 1.00 0.00 C ATOM 469 CD LYS A 34 -10.787 14.448 0.818 1.00 0.00 C ATOM 470 CE LYS A 34 -11.900 13.691 0.114 1.00 0.00 C ATOM 471 NZ LYS A 34 -11.371 12.744 -0.908 1.00 0.00 N ATOM 0 H LYS A 34 -6.817 15.132 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.562 17.520 -0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.224 15.315 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.290 16.696 1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.587 15.943 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.511 14.574 -0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.150 13.745 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.216 15.120 1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.486 13.140 0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.575 14.401 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.637 13.074 -1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.335 12.698 -0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.772 11.798 -0.745 1.00 0.00 H new ATOM 485 N PHE A 35 -5.927 16.944 0.926 1.00 0.00 N ATOM 486 CA PHE A 35 -4.894 17.598 1.728 1.00 0.00 C ATOM 487 C PHE A 35 -4.276 18.773 0.975 1.00 0.00 C ATOM 488 O PHE A 35 -4.019 19.830 1.553 1.00 0.00 O ATOM 489 CB PHE A 35 -3.799 16.594 2.097 1.00 0.00 C ATOM 490 CG PHE A 35 -3.188 16.832 3.441 1.00 0.00 C ATOM 491 CD1 PHE A 35 -3.921 16.607 4.590 1.00 0.00 C ATOM 492 CD2 PHE A 35 -1.886 17.279 3.555 1.00 0.00 C ATOM 493 CE1 PHE A 35 -3.367 16.824 5.835 1.00 0.00 C ATOM 494 CE2 PHE A 35 -1.324 17.497 4.794 1.00 0.00 C ATOM 495 CZ PHE A 35 -2.066 17.270 5.938 1.00 0.00 C ATOM 0 H PHE A 35 -5.803 15.937 0.820 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.363 17.976 2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.218 15.588 2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.015 16.631 1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.940 16.257 4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.303 17.459 2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.950 16.645 6.726 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.305 17.845 4.871 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.628 17.441 6.910 1.00 0.00 H new ATOM 505 N LEU A 36 -4.033 18.578 -0.319 1.00 0.00 N ATOM 506 CA LEU A 36 -3.437 19.617 -1.154 1.00 0.00 C ATOM 507 C LEU A 36 -4.389 20.794 -1.342 1.00 0.00 C ATOM 508 O LEU A 36 -3.953 21.935 -1.496 1.00 0.00 O ATOM 509 CB LEU A 36 -3.049 19.044 -2.517 1.00 0.00 C ATOM 510 CG LEU A 36 -2.453 20.054 -3.498 1.00 0.00 C ATOM 511 CD1 LEU A 36 -1.178 20.660 -2.932 1.00 0.00 C ATOM 512 CD2 LEU A 36 -2.181 19.394 -4.841 1.00 0.00 C ATOM 0 H LEU A 36 -4.240 17.709 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.543 19.978 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.329 18.240 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.933 18.598 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.176 20.856 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.768 21.376 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.402 21.168 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.449 19.870 -2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.757 20.127 -5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.477 18.573 -4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.114 19.009 -5.253 1.00 0.00 H new ATOM 524 N GLU A 37 -5.688 20.513 -1.334 1.00 0.00 N ATOM 525 CA GLU A 37 -6.698 21.554 -1.510 1.00 0.00 C ATOM 526 C GLU A 37 -6.419 22.747 -0.601 1.00 0.00 C ATOM 527 O GLU A 37 -6.305 23.881 -1.066 1.00 0.00 O ATOM 528 CB GLU A 37 -8.091 20.994 -1.223 1.00 0.00 C ATOM 529 CG GLU A 37 -8.476 19.825 -2.117 1.00 0.00 C ATOM 530 CD GLU A 37 -8.537 20.204 -3.586 1.00 0.00 C ATOM 531 OE1 GLU A 37 -8.309 21.390 -3.906 1.00 0.00 O ATOM 532 OE2 GLU A 37 -8.817 19.313 -4.416 1.00 0.00 O ATOM 0 H GLU A 37 -6.067 19.575 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.655 21.894 -2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.137 20.674 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.825 21.790 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.755 19.019 -1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.447 19.439 -1.805 1.00 0.00 H new ATOM 539 N GLY A 38 -6.308 22.485 0.696 1.00 0.00 N ATOM 540 CA GLY A 38 -6.041 23.549 1.645 1.00 0.00 C ATOM 541 C GLY A 38 -4.662 24.152 1.468 1.00 0.00 C ATOM 542 O GLY A 38 -4.482 25.362 1.612 1.00 0.00 O ATOM 0 H GLY A 38 -6.398 21.556 1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.793 24.330 1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.136 23.160 2.659 1.00 0.00 H new ATOM 546 N ALA A 39 -3.684 23.307 1.159 1.00 0.00 N ATOM 547 CA ALA A 39 -2.313 23.756 0.967 1.00 0.00 C ATOM 548 C ALA A 39 -2.217 24.802 -0.140 1.00 0.00 C ATOM 549 O ALA A 39 -1.335 25.660 -0.118 1.00 0.00 O ATOM 550 CB ALA A 39 -1.411 22.572 0.656 1.00 0.00 C ATOM 0 H ALA A 39 -3.818 22.303 1.036 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.981 24.223 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.388 22.921 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.441 21.864 1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.756 22.081 -0.254 1.00 0.00 H new ATOM 556 N ALA A 40 -3.122 24.719 -1.110 1.00 0.00 N ATOM 557 CA ALA A 40 -3.132 25.650 -2.227 1.00 0.00 C ATOM 558 C ALA A 40 -3.281 27.088 -1.746 1.00 0.00 C ATOM 559 O ALA A 40 -2.642 28.000 -2.272 1.00 0.00 O ATOM 560 CB ALA A 40 -4.250 25.297 -3.197 1.00 0.00 C ATOM 0 H ALA A 40 -3.858 24.014 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.176 25.567 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.246 26.002 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.097 24.287 -3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.209 25.349 -2.681 1.00 0.00 H new ATOM 566 N ARG A 41 -4.128 27.284 -0.743 1.00 0.00 N ATOM 567 CA ARG A 41 -4.363 28.613 -0.189 1.00 0.00 C ATOM 568 C ARG A 41 -3.107 29.170 0.471 1.00 0.00 C ATOM 569 O ARG A 41 -2.744 30.327 0.257 1.00 0.00 O ATOM 570 CB ARG A 41 -5.506 28.577 0.826 1.00 0.00 C ATOM 571 CG ARG A 41 -6.887 28.507 0.193 1.00 0.00 C ATOM 572 CD ARG A 41 -7.043 27.286 -0.698 1.00 0.00 C ATOM 573 NE ARG A 41 -8.380 27.210 -1.284 1.00 0.00 N ATOM 574 CZ ARG A 41 -8.771 26.253 -2.122 1.00 0.00 C ATOM 575 NH1 ARG A 41 -7.931 25.290 -2.480 1.00 0.00 N ATOM 576 NH2 ARG A 41 -10.007 26.259 -2.605 1.00 0.00 N ATOM 0 H ARG A 41 -4.664 26.540 -0.296 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.637 29.269 -1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.372 27.715 1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.449 29.466 1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.644 28.483 0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.063 29.409 -0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.299 27.319 -1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.849 26.385 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.054 27.934 -1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.980 25.280 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.237 24.559 -3.123 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.657 26.997 -2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.307 25.526 -3.247 1.00 0.00 H new ATOM 590 N GLN A 42 -2.451 28.346 1.278 1.00 0.00 N ATOM 591 CA GLN A 42 -1.240 28.765 1.973 1.00 0.00 C ATOM 592 C GLN A 42 -0.002 28.529 1.111 1.00 0.00 C ATOM 593 O GLN A 42 -0.044 27.766 0.146 1.00 0.00 O ATOM 594 CB GLN A 42 -1.105 28.012 3.298 1.00 0.00 C ATOM 595 CG GLN A 42 -2.278 28.221 4.243 1.00 0.00 C ATOM 596 CD GLN A 42 -2.460 29.673 4.636 1.00 0.00 C ATOM 597 OE1 GLN A 42 -2.688 30.536 3.789 1.00 0.00 O ATOM 598 NE2 GLN A 42 -2.359 29.952 5.931 1.00 0.00 N ATOM 0 H GLN A 42 -2.736 27.385 1.467 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.318 29.834 2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.002 26.947 3.091 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.189 28.330 3.795 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.190 27.860 3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -2.127 27.622 5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.169 29.206 6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.472 30.912 6.256 1.00 0.00 H new ATOM 607 N PRO A 43 1.126 29.178 1.454 1.00 0.00 N ATOM 608 CA PRO A 43 2.381 29.025 0.708 1.00 0.00 C ATOM 609 C PRO A 43 2.791 27.567 0.590 1.00 0.00 C ATOM 610 O PRO A 43 2.637 26.799 1.533 1.00 0.00 O ATOM 611 CB PRO A 43 3.398 29.804 1.547 1.00 0.00 C ATOM 612 CG PRO A 43 2.582 30.783 2.320 1.00 0.00 C ATOM 613 CD PRO A 43 1.272 30.099 2.595 1.00 0.00 C ATOM 0 HA PRO A 43 2.298 29.388 -0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.954 29.142 2.210 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.128 30.309 0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.081 31.060 3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.432 31.701 1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.289 29.564 3.545 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.449 30.811 2.645 1.00 0.00 H new ATOM 621 N ASP A 44 3.312 27.187 -0.570 1.00 0.00 N ATOM 622 CA ASP A 44 3.738 25.810 -0.798 1.00 0.00 C ATOM 623 C ASP A 44 5.079 25.522 -0.125 1.00 0.00 C ATOM 624 O ASP A 44 5.940 24.854 -0.698 1.00 0.00 O ATOM 625 CB ASP A 44 3.835 25.526 -2.297 1.00 0.00 C ATOM 626 CG ASP A 44 4.830 26.433 -2.994 1.00 0.00 C ATOM 627 OD1 ASP A 44 4.640 27.666 -2.951 1.00 0.00 O ATOM 628 OD2 ASP A 44 5.799 25.909 -3.582 1.00 0.00 O ATOM 0 H ASP A 44 3.450 27.810 -1.366 1.00 0.00 H new ATOM 0 HA ASP A 44 2.989 25.153 -0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.126 24.487 -2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.853 25.651 -2.752 1.00 0.00 H new ATOM 633 N LEU A 45 5.249 26.024 1.095 1.00 0.00 N ATOM 634 CA LEU A 45 6.484 25.814 1.841 1.00 0.00 C ATOM 635 C LEU A 45 6.247 24.884 3.022 1.00 0.00 C ATOM 636 O LEU A 45 6.742 23.757 3.053 1.00 0.00 O ATOM 637 CB LEU A 45 7.047 27.157 2.321 1.00 0.00 C ATOM 638 CG LEU A 45 8.435 27.102 2.970 1.00 0.00 C ATOM 639 CD1 LEU A 45 8.954 28.508 3.231 1.00 0.00 C ATOM 640 CD2 LEU A 45 8.399 26.307 4.267 1.00 0.00 C ATOM 0 H LEU A 45 4.548 26.578 1.587 1.00 0.00 H new ATOM 0 HA LEU A 45 7.212 25.345 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.091 27.837 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.348 27.588 3.038 1.00 0.00 H new ATOM 0 HG LEU A 45 9.111 26.599 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.940 28.452 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.024 29.051 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.270 29.030 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.396 26.283 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.706 26.779 4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.069 25.289 4.061 1.00 0.00 H new ATOM 652 N ILE A 46 5.490 25.369 3.989 1.00 0.00 N ATOM 653 CA ILE A 46 5.177 24.603 5.184 1.00 0.00 C ATOM 654 C ILE A 46 4.186 23.476 4.897 1.00 0.00 C ATOM 655 O ILE A 46 4.415 22.335 5.295 1.00 0.00 O ATOM 656 CB ILE A 46 4.601 25.526 6.267 1.00 0.00 C ATOM 657 CG1 ILE A 46 5.645 26.561 6.694 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.113 24.728 7.469 1.00 0.00 C ATOM 659 CD1 ILE A 46 6.907 25.946 7.258 1.00 0.00 C ATOM 0 H ILE A 46 5.076 26.301 3.970 1.00 0.00 H new ATOM 0 HA ILE A 46 6.106 24.154 5.534 1.00 0.00 H new ATOM 0 HB ILE A 46 3.743 26.049 5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.904 27.180 5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.206 27.221 7.442 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.711 25.409 8.219 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.334 24.035 7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.945 24.168 7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.602 26.737 7.540 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.660 25.350 8.136 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.369 25.308 6.505 1.00 0.00 H new ATOM 671 N PRO A 47 3.068 23.766 4.208 1.00 0.00 N ATOM 672 CA PRO A 47 2.074 22.740 3.899 1.00 0.00 C ATOM 673 C PRO A 47 2.630 21.700 2.942 1.00 0.00 C ATOM 674 O PRO A 47 2.283 20.522 3.019 1.00 0.00 O ATOM 675 CB PRO A 47 0.925 23.518 3.258 1.00 0.00 C ATOM 676 CG PRO A 47 1.554 24.760 2.736 1.00 0.00 C ATOM 677 CD PRO A 47 2.681 25.086 3.679 1.00 0.00 C ATOM 0 HA PRO A 47 1.763 22.184 4.784 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.457 22.945 2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.146 23.745 3.986 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.925 24.612 1.722 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.832 25.575 2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.509 25.572 3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.360 25.760 4.473 1.00 0.00 H new ATOM 685 N LEU A 48 3.519 22.136 2.055 1.00 0.00 N ATOM 686 CA LEU A 48 4.145 21.227 1.105 1.00 0.00 C ATOM 687 C LEU A 48 4.870 20.121 1.862 1.00 0.00 C ATOM 688 O LEU A 48 5.003 19.002 1.371 1.00 0.00 O ATOM 689 CB LEU A 48 5.126 21.982 0.206 1.00 0.00 C ATOM 690 CG LEU A 48 5.846 21.120 -0.833 1.00 0.00 C ATOM 691 CD1 LEU A 48 4.844 20.457 -1.765 1.00 0.00 C ATOM 692 CD2 LEU A 48 6.839 21.957 -1.624 1.00 0.00 C ATOM 0 H LEU A 48 3.820 23.107 1.975 1.00 0.00 H new ATOM 0 HA LEU A 48 3.373 20.787 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.585 22.773 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.873 22.466 0.835 1.00 0.00 H new ATOM 0 HG LEU A 48 6.396 20.338 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.375 19.848 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.172 19.824 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.266 21.223 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.342 21.328 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.310 22.761 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.578 22.383 -0.945 1.00 0.00 H new ATOM 704 N LEU A 49 5.320 20.454 3.072 1.00 0.00 N ATOM 705 CA LEU A 49 6.019 19.507 3.932 1.00 0.00 C ATOM 706 C LEU A 49 5.074 18.395 4.369 1.00 0.00 C ATOM 707 O LEU A 49 5.369 17.208 4.229 1.00 0.00 O ATOM 708 CB LEU A 49 6.569 20.237 5.161 1.00 0.00 C ATOM 709 CG LEU A 49 8.078 20.121 5.375 1.00 0.00 C ATOM 710 CD1 LEU A 49 8.482 20.794 6.677 1.00 0.00 C ATOM 711 CD2 LEU A 49 8.514 18.662 5.365 1.00 0.00 C ATOM 0 H LEU A 49 5.210 21.383 3.479 1.00 0.00 H new ATOM 0 HA LEU A 49 6.845 19.065 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.311 21.293 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.063 19.852 6.047 1.00 0.00 H new ATOM 0 HG LEU A 49 8.582 20.630 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.559 20.703 6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.209 21.849 6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.968 20.314 7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.591 18.603 5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.003 18.124 6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.260 18.213 4.405 1.00 0.00 H new ATOM 723 N ARG A 50 3.925 18.793 4.896 1.00 0.00 N ATOM 724 CA ARG A 50 2.925 17.835 5.342 1.00 0.00 C ATOM 725 C ARG A 50 2.300 17.137 4.147 1.00 0.00 C ATOM 726 O ARG A 50 2.039 15.933 4.174 1.00 0.00 O ATOM 727 CB ARG A 50 1.837 18.538 6.147 1.00 0.00 C ATOM 728 CG ARG A 50 1.209 19.708 5.407 1.00 0.00 C ATOM 729 CD ARG A 50 -0.064 20.169 6.083 1.00 0.00 C ATOM 730 NE ARG A 50 -0.624 21.367 5.462 1.00 0.00 N ATOM 731 CZ ARG A 50 -1.731 21.973 5.887 1.00 0.00 C ATOM 732 NH1 ARG A 50 -2.392 21.501 6.938 1.00 0.00 N ATOM 733 NH2 ARG A 50 -2.180 23.052 5.261 1.00 0.00 N ATOM 0 H ARG A 50 3.663 19.770 5.025 1.00 0.00 H new ATOM 0 HA ARG A 50 3.415 17.096 5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.060 17.818 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.261 18.895 7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.918 20.534 5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.992 19.416 4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.801 19.367 6.048 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.139 20.370 7.135 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.139 21.762 4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.052 20.671 7.423 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.239 21.969 7.260 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.677 23.419 4.453 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.028 23.515 5.588 1.00 0.00 H new ATOM 747 N THR A 51 2.063 17.911 3.100 1.00 0.00 N ATOM 748 CA THR A 51 1.467 17.397 1.882 1.00 0.00 C ATOM 749 C THR A 51 2.288 16.252 1.318 1.00 0.00 C ATOM 750 O THR A 51 1.743 15.257 0.844 1.00 0.00 O ATOM 751 CB THR A 51 1.366 18.518 0.855 1.00 0.00 C ATOM 752 OG1 THR A 51 0.531 19.560 1.327 1.00 0.00 O ATOM 753 CG2 THR A 51 0.828 18.068 -0.487 1.00 0.00 C ATOM 0 H THR A 51 2.278 18.908 3.072 1.00 0.00 H new ATOM 0 HA THR A 51 0.471 17.019 2.113 1.00 0.00 H new ATOM 0 HB THR A 51 2.390 18.864 0.714 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.977 20.028 2.063 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.785 18.920 -1.166 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.484 17.304 -0.904 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.173 17.656 -0.358 1.00 0.00 H new ATOM 761 N GLN A 52 3.602 16.395 1.378 1.00 0.00 N ATOM 762 CA GLN A 52 4.489 15.355 0.873 1.00 0.00 C ATOM 763 C GLN A 52 4.477 14.169 1.812 1.00 0.00 C ATOM 764 O GLN A 52 4.395 13.021 1.388 1.00 0.00 O ATOM 765 CB GLN A 52 5.914 15.879 0.701 1.00 0.00 C ATOM 766 CG GLN A 52 6.507 16.487 1.957 1.00 0.00 C ATOM 767 CD GLN A 52 7.965 16.867 1.788 1.00 0.00 C ATOM 768 OE1 GLN A 52 8.310 17.686 0.936 1.00 0.00 O ATOM 769 NE2 GLN A 52 8.830 16.272 2.602 1.00 0.00 N ATOM 0 H GLN A 52 4.076 17.211 1.766 1.00 0.00 H new ATOM 0 HA GLN A 52 4.127 15.043 -0.106 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.553 15.060 0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.921 16.628 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.934 17.372 2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.413 15.777 2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.500 15.599 3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.825 16.488 2.535 1.00 0.00 H new ATOM 778 N PHE A 53 4.546 14.465 3.094 1.00 0.00 N ATOM 779 CA PHE A 53 4.526 13.434 4.121 1.00 0.00 C ATOM 780 C PHE A 53 3.351 12.479 3.917 1.00 0.00 C ATOM 781 O PHE A 53 3.469 11.275 4.141 1.00 0.00 O ATOM 782 CB PHE A 53 4.425 14.088 5.499 1.00 0.00 C ATOM 783 CG PHE A 53 4.367 13.103 6.633 1.00 0.00 C ATOM 784 CD1 PHE A 53 5.402 12.206 6.843 1.00 0.00 C ATOM 785 CD2 PHE A 53 3.277 13.075 7.488 1.00 0.00 C ATOM 786 CE1 PHE A 53 5.351 11.299 7.884 1.00 0.00 C ATOM 787 CE2 PHE A 53 3.220 12.170 8.532 1.00 0.00 C ATOM 788 CZ PHE A 53 4.258 11.281 8.730 1.00 0.00 C ATOM 0 H PHE A 53 4.617 15.416 3.455 1.00 0.00 H new ATOM 0 HA PHE A 53 5.450 12.859 4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.283 14.745 5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.534 14.716 5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.259 12.216 6.185 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.462 13.768 7.337 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.164 10.605 8.037 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.365 12.158 9.192 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.216 10.573 9.544 1.00 0.00 H new ATOM 798 N PHE A 54 2.216 13.028 3.494 1.00 0.00 N ATOM 799 CA PHE A 54 1.017 12.224 3.271 1.00 0.00 C ATOM 800 C PHE A 54 1.035 11.546 1.906 1.00 0.00 C ATOM 801 O PHE A 54 0.996 10.318 1.821 1.00 0.00 O ATOM 802 CB PHE A 54 -0.233 13.083 3.442 1.00 0.00 C ATOM 803 CG PHE A 54 -0.562 13.338 4.885 1.00 0.00 C ATOM 804 CD1 PHE A 54 -1.030 12.311 5.689 1.00 0.00 C ATOM 805 CD2 PHE A 54 -0.386 14.593 5.444 1.00 0.00 C ATOM 806 CE1 PHE A 54 -1.319 12.530 7.021 1.00 0.00 C ATOM 807 CE2 PHE A 54 -0.675 14.819 6.777 1.00 0.00 C ATOM 808 CZ PHE A 54 -1.141 13.786 7.567 1.00 0.00 C ATOM 0 H PHE A 54 2.101 14.023 3.299 1.00 0.00 H new ATOM 0 HA PHE A 54 1.001 11.431 4.019 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.088 14.035 2.932 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.078 12.589 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.170 11.326 5.268 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.019 15.404 4.832 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.684 11.720 7.635 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.536 15.803 7.201 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.366 13.960 8.609 1.00 0.00 H new ATOM 818 N ILE A 55 1.107 12.336 0.837 1.00 0.00 N ATOM 819 CA ILE A 55 1.145 11.779 -0.511 1.00 0.00 C ATOM 820 C ILE A 55 2.187 10.664 -0.594 1.00 0.00 C ATOM 821 O ILE A 55 1.944 9.605 -1.181 1.00 0.00 O ATOM 822 CB ILE A 55 1.464 12.865 -1.559 1.00 0.00 C ATOM 823 CG1 ILE A 55 0.387 13.950 -1.543 1.00 0.00 C ATOM 824 CG2 ILE A 55 1.580 12.251 -2.946 1.00 0.00 C ATOM 825 CD1 ILE A 55 0.655 15.083 -2.509 1.00 0.00 C ATOM 0 H ILE A 55 1.140 13.355 0.878 1.00 0.00 H new ATOM 0 HA ILE A 55 0.158 11.371 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 55 2.421 13.321 -1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.575 13.498 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.306 14.355 -0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.805 13.032 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.380 11.510 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.638 11.770 -3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.150 15.815 -2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.602 15.561 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.706 14.691 -3.525 1.00 0.00 H new ATOM 837 N VAL A 56 3.340 10.905 0.021 1.00 0.00 N ATOM 838 CA VAL A 56 4.410 9.922 0.041 1.00 0.00 C ATOM 839 C VAL A 56 4.024 8.756 0.930 1.00 0.00 C ATOM 840 O VAL A 56 4.103 7.603 0.515 1.00 0.00 O ATOM 841 CB VAL A 56 5.741 10.527 0.526 1.00 0.00 C ATOM 842 CG1 VAL A 56 6.850 9.486 0.493 1.00 0.00 C ATOM 843 CG2 VAL A 56 6.115 11.738 -0.316 1.00 0.00 C ATOM 0 H VAL A 56 3.555 11.773 0.511 1.00 0.00 H new ATOM 0 HA VAL A 56 4.556 9.576 -0.982 1.00 0.00 H new ATOM 0 HB VAL A 56 5.613 10.853 1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.781 9.935 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.585 8.652 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.979 9.124 -0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.058 12.152 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.222 11.437 -1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.333 12.493 -0.235 1.00 0.00 H new ATOM 853 N MET A 57 3.567 9.056 2.146 1.00 0.00 N ATOM 854 CA MET A 57 3.132 8.003 3.057 1.00 0.00 C ATOM 855 C MET A 57 2.188 7.049 2.324 1.00 0.00 C ATOM 856 O MET A 57 2.067 5.877 2.682 1.00 0.00 O ATOM 857 CB MET A 57 2.433 8.602 4.280 1.00 0.00 C ATOM 858 CG MET A 57 1.882 7.560 5.238 1.00 0.00 C ATOM 859 SD MET A 57 1.085 8.294 6.680 1.00 0.00 S ATOM 860 CE MET A 57 0.569 6.827 7.568 1.00 0.00 C ATOM 0 H MET A 57 3.490 10.003 2.516 1.00 0.00 H new ATOM 0 HA MET A 57 4.007 7.451 3.401 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.138 9.238 4.815 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.617 9.242 3.944 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.164 6.932 4.711 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.693 6.910 5.567 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.059 7.118 8.486 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.110 6.245 6.945 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.443 6.224 7.814 1.00 0.00 H new ATOM 870 N GLY A 58 1.533 7.568 1.284 1.00 0.00 N ATOM 871 CA GLY A 58 0.625 6.767 0.496 1.00 0.00 C ATOM 872 C GLY A 58 1.345 5.897 -0.513 1.00 0.00 C ATOM 873 O GLY A 58 1.148 4.684 -0.543 1.00 0.00 O ATOM 0 H GLY A 58 1.621 8.537 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.034 6.135 1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.073 7.422 -0.026 1.00 0.00 H new ATOM 877 N LEU A 59 2.189 6.510 -1.339 1.00 0.00 N ATOM 878 CA LEU A 59 2.940 5.760 -2.346 1.00 0.00 C ATOM 879 C LEU A 59 3.998 4.867 -1.692 1.00 0.00 C ATOM 880 O LEU A 59 4.677 4.097 -2.372 1.00 0.00 O ATOM 881 CB LEU A 59 3.598 6.715 -3.349 1.00 0.00 C ATOM 882 CG LEU A 59 4.764 7.544 -2.805 1.00 0.00 C ATOM 883 CD1 LEU A 59 6.038 6.713 -2.751 1.00 0.00 C ATOM 884 CD2 LEU A 59 4.971 8.789 -3.654 1.00 0.00 C ATOM 0 H LEU A 59 2.370 7.514 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 59 2.237 5.120 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.955 6.132 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.836 7.397 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 59 4.520 7.855 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.854 7.322 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.884 5.853 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.290 6.368 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.804 9.368 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.192 8.497 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.066 9.396 -3.637 1.00 0.00 H new ATOM 896 N VAL A 60 4.136 4.976 -0.371 1.00 0.00 N ATOM 897 CA VAL A 60 5.109 4.186 0.374 1.00 0.00 C ATOM 898 C VAL A 60 4.430 3.082 1.190 1.00 0.00 C ATOM 899 O VAL A 60 5.094 2.326 1.895 1.00 0.00 O ATOM 900 CB VAL A 60 5.938 5.081 1.321 1.00 0.00 C ATOM 901 CG1 VAL A 60 6.852 4.245 2.201 1.00 0.00 C ATOM 902 CG2 VAL A 60 6.746 6.098 0.529 1.00 0.00 C ATOM 0 H VAL A 60 3.581 5.608 0.206 1.00 0.00 H new ATOM 0 HA VAL A 60 5.771 3.724 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 60 5.244 5.618 1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.424 4.900 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.253 3.562 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.536 3.672 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.323 6.718 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.424 5.577 -0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.071 6.728 -0.050 1.00 0.00 H new ATOM 912 N ASP A 61 3.107 2.990 1.098 1.00 0.00 N ATOM 913 CA ASP A 61 2.364 1.973 1.838 1.00 0.00 C ATOM 914 C ASP A 61 2.087 0.754 0.962 1.00 0.00 C ATOM 915 O ASP A 61 1.883 -0.353 1.461 1.00 0.00 O ATOM 916 CB ASP A 61 1.056 2.561 2.363 1.00 0.00 C ATOM 917 CG ASP A 61 0.286 1.594 3.242 1.00 0.00 C ATOM 918 OD1 ASP A 61 0.789 0.476 3.481 1.00 0.00 O ATOM 919 OD2 ASP A 61 -0.819 1.957 3.695 1.00 0.00 O ATOM 0 H ASP A 61 2.529 3.603 0.522 1.00 0.00 H new ATOM 0 HA ASP A 61 2.971 1.649 2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.272 3.467 2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.431 2.854 1.520 1.00 0.00 H new ATOM 924 N ALA A 62 2.093 0.968 -0.345 1.00 0.00 N ATOM 925 CA ALA A 62 1.852 -0.103 -1.310 1.00 0.00 C ATOM 926 C ALA A 62 3.132 -0.872 -1.609 1.00 0.00 C ATOM 927 O ALA A 62 3.213 -2.084 -1.418 1.00 0.00 O ATOM 928 CB ALA A 62 1.304 0.491 -2.599 1.00 0.00 C ATOM 0 H ALA A 62 2.263 1.880 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 62 1.129 -0.796 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.124 -0.307 -3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.369 1.010 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.027 1.196 -3.011 1.00 0.00 H new ATOM 934 N ILE A 63 4.132 -0.139 -2.076 1.00 0.00 N ATOM 935 CA ILE A 63 5.438 -0.700 -2.416 1.00 0.00 C ATOM 936 C ILE A 63 5.930 -1.749 -1.421 1.00 0.00 C ATOM 937 O ILE A 63 6.542 -2.744 -1.815 1.00 0.00 O ATOM 938 CB ILE A 63 6.489 0.426 -2.522 1.00 0.00 C ATOM 939 CG1 ILE A 63 6.491 0.998 -3.935 1.00 0.00 C ATOM 940 CG2 ILE A 63 7.884 -0.071 -2.151 1.00 0.00 C ATOM 941 CD1 ILE A 63 6.874 -0.032 -4.972 1.00 0.00 C ATOM 0 H ILE A 63 4.063 0.867 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 63 5.309 -1.201 -3.375 1.00 0.00 H new ATOM 0 HB ILE A 63 6.219 1.209 -1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.501 1.392 -4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.187 1.836 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.597 0.749 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.878 -0.440 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.174 -0.877 -2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.860 0.425 -5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.875 -0.407 -4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.163 -0.858 -4.944 1.00 0.00 H new ATOM 953 N PRO A 64 5.698 -1.548 -0.120 1.00 0.00 N ATOM 954 CA PRO A 64 6.151 -2.476 0.902 1.00 0.00 C ATOM 955 C PRO A 64 5.202 -3.650 1.039 1.00 0.00 C ATOM 956 O PRO A 64 5.598 -4.809 0.911 1.00 0.00 O ATOM 957 CB PRO A 64 6.174 -1.620 2.183 1.00 0.00 C ATOM 958 CG PRO A 64 5.758 -0.241 1.759 1.00 0.00 C ATOM 959 CD PRO A 64 4.990 -0.422 0.482 1.00 0.00 C ATOM 0 HA PRO A 64 7.121 -2.917 0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.493 -2.021 2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.169 -1.609 2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.142 0.234 2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.626 0.400 1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.939 -0.647 0.663 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.022 0.468 -0.147 1.00 0.00 H new ATOM 967 N MET A 65 3.935 -3.338 1.268 1.00 0.00 N ATOM 968 CA MET A 65 2.910 -4.349 1.386 1.00 0.00 C ATOM 969 C MET A 65 2.867 -5.202 0.123 1.00 0.00 C ATOM 970 O MET A 65 2.434 -6.354 0.150 1.00 0.00 O ATOM 971 CB MET A 65 1.566 -3.669 1.633 1.00 0.00 C ATOM 972 CG MET A 65 1.282 -3.383 3.103 1.00 0.00 C ATOM 973 SD MET A 65 0.585 -4.799 3.983 1.00 0.00 S ATOM 974 CE MET A 65 1.948 -5.959 3.945 1.00 0.00 C ATOM 0 H MET A 65 3.596 -2.382 1.376 1.00 0.00 H new ATOM 0 HA MET A 65 3.134 -5.007 2.226 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.536 -2.731 1.078 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.771 -4.300 1.235 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.207 -3.079 3.592 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.592 -2.543 3.176 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.802 -6.717 4.714 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.991 -6.438 2.967 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.882 -5.429 4.131 1.00 0.00 H new ATOM 984 N ILE A 66 3.343 -4.631 -0.983 1.00 0.00 N ATOM 985 CA ILE A 66 3.383 -5.344 -2.249 1.00 0.00 C ATOM 986 C ILE A 66 4.602 -6.246 -2.308 1.00 0.00 C ATOM 987 O ILE A 66 4.482 -7.418 -2.632 1.00 0.00 O ATOM 988 CB ILE A 66 3.374 -4.380 -3.460 1.00 0.00 C ATOM 989 CG1 ILE A 66 2.020 -3.675 -3.568 1.00 0.00 C ATOM 990 CG2 ILE A 66 3.694 -5.120 -4.756 1.00 0.00 C ATOM 991 CD1 ILE A 66 1.941 -2.697 -4.720 1.00 0.00 C ATOM 0 H ILE A 66 3.705 -3.678 -1.023 1.00 0.00 H new ATOM 0 HA ILE A 66 2.480 -5.952 -2.307 1.00 0.00 H new ATOM 0 HB ILE A 66 4.149 -3.631 -3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.237 -4.424 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.820 -3.145 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.680 -4.417 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.682 -5.575 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.949 -5.897 -4.925 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.954 -2.234 -4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.702 -1.926 -4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.110 -3.226 -5.658 1.00 0.00 H new ATOM 1003 N ALA A 67 5.772 -5.713 -1.976 1.00 0.00 N ATOM 1004 CA ALA A 67 6.982 -6.526 -1.980 1.00 0.00 C ATOM 1005 C ALA A 67 6.808 -7.699 -1.022 1.00 0.00 C ATOM 1006 O ALA A 67 7.291 -8.806 -1.271 1.00 0.00 O ATOM 1007 CB ALA A 67 8.192 -5.689 -1.594 1.00 0.00 C ATOM 0 H ALA A 67 5.908 -4.739 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 67 7.151 -6.911 -2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.085 -6.314 -1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.313 -4.874 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.047 -5.278 -0.595 1.00 0.00 H new ATOM 1013 N VAL A 68 6.087 -7.446 0.069 1.00 0.00 N ATOM 1014 CA VAL A 68 5.818 -8.473 1.063 1.00 0.00 C ATOM 1015 C VAL A 68 4.819 -9.482 0.527 1.00 0.00 C ATOM 1016 O VAL A 68 5.012 -10.689 0.675 1.00 0.00 O ATOM 1017 CB VAL A 68 5.284 -7.867 2.373 1.00 0.00 C ATOM 1018 CG1 VAL A 68 5.068 -8.950 3.421 1.00 0.00 C ATOM 1019 CG2 VAL A 68 6.231 -6.795 2.892 1.00 0.00 C ATOM 0 H VAL A 68 5.680 -6.536 0.283 1.00 0.00 H new ATOM 0 HA VAL A 68 6.762 -8.974 1.276 1.00 0.00 H new ATOM 0 HB VAL A 68 4.321 -7.401 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.690 -8.498 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.345 -9.676 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.014 -9.452 3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.836 -6.378 3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.210 -7.235 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.326 -6.003 2.149 1.00 0.00 H new ATOM 1029 N GLY A 69 3.762 -8.998 -0.126 1.00 0.00 N ATOM 1030 CA GLY A 69 2.793 -9.913 -0.688 1.00 0.00 C ATOM 1031 C GLY A 69 3.425 -10.732 -1.786 1.00 0.00 C ATOM 1032 O GLY A 69 3.105 -11.903 -1.977 1.00 0.00 O ATOM 0 H GLY A 69 3.566 -8.008 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.409 -10.571 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.943 -9.357 -1.083 1.00 0.00 H new ATOM 1036 N LEU A 70 4.348 -10.097 -2.493 1.00 0.00 N ATOM 1037 CA LEU A 70 5.078 -10.724 -3.571 1.00 0.00 C ATOM 1038 C LEU A 70 5.938 -11.852 -3.028 1.00 0.00 C ATOM 1039 O LEU A 70 6.046 -12.910 -3.637 1.00 0.00 O ATOM 1040 CB LEU A 70 5.955 -9.678 -4.261 1.00 0.00 C ATOM 1041 CG LEU A 70 5.929 -9.740 -5.777 1.00 0.00 C ATOM 1042 CD1 LEU A 70 6.806 -8.651 -6.375 1.00 0.00 C ATOM 1043 CD2 LEU A 70 6.363 -11.113 -6.267 1.00 0.00 C ATOM 0 H LEU A 70 4.609 -9.125 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 70 4.375 -11.139 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.633 -8.686 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.983 -9.803 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 70 4.904 -9.570 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.773 -8.714 -7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.441 -7.674 -6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.833 -8.783 -6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.337 -11.135 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.377 -11.318 -5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.686 -11.871 -5.872 1.00 0.00 H new ATOM 1055 N GLY A 71 6.533 -11.616 -1.865 1.00 0.00 N ATOM 1056 CA GLY A 71 7.366 -12.627 -1.243 1.00 0.00 C ATOM 1057 C GLY A 71 6.554 -13.835 -0.831 1.00 0.00 C ATOM 1058 O GLY A 71 6.795 -14.950 -1.298 1.00 0.00 O ATOM 0 H GLY A 71 6.454 -10.744 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.149 -12.933 -1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.862 -12.205 -0.369 1.00 0.00 H new ATOM 1062 N LEU A 72 5.569 -13.606 0.032 1.00 0.00 N ATOM 1063 CA LEU A 72 4.697 -14.680 0.491 1.00 0.00 C ATOM 1064 C LEU A 72 4.045 -15.369 -0.703 1.00 0.00 C ATOM 1065 O LEU A 72 3.827 -16.586 -0.705 1.00 0.00 O ATOM 1066 CB LEU A 72 3.625 -14.128 1.436 1.00 0.00 C ATOM 1067 CG LEU A 72 4.159 -13.503 2.726 1.00 0.00 C ATOM 1068 CD1 LEU A 72 3.012 -12.989 3.584 1.00 0.00 C ATOM 1069 CD2 LEU A 72 4.996 -14.511 3.499 1.00 0.00 C ATOM 0 H LEU A 72 5.356 -12.690 0.426 1.00 0.00 H new ATOM 0 HA LEU A 72 5.296 -15.410 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.042 -13.378 0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.942 -14.936 1.697 1.00 0.00 H new ATOM 0 HG LEU A 72 4.795 -12.658 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.410 -12.548 4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.453 -12.235 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.350 -13.816 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.368 -14.050 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.382 -15.376 3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.838 -14.831 2.886 1.00 0.00 H new ATOM 1081 N TYR A 73 3.750 -14.581 -1.731 1.00 0.00 N ATOM 1082 CA TYR A 73 3.138 -15.118 -2.936 1.00 0.00 C ATOM 1083 C TYR A 73 4.134 -16.015 -3.659 1.00 0.00 C ATOM 1084 O TYR A 73 3.781 -17.095 -4.139 1.00 0.00 O ATOM 1085 CB TYR A 73 2.656 -13.987 -3.841 1.00 0.00 C ATOM 1086 CG TYR A 73 1.806 -14.456 -4.996 1.00 0.00 C ATOM 1087 CD1 TYR A 73 2.372 -15.110 -6.083 1.00 0.00 C ATOM 1088 CD2 TYR A 73 0.431 -14.248 -4.995 1.00 0.00 C ATOM 1089 CE1 TYR A 73 1.593 -15.540 -7.140 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -0.353 -14.676 -6.049 1.00 0.00 C ATOM 1091 CZ TYR A 73 0.231 -15.320 -7.118 1.00 0.00 C ATOM 1092 OH TYR A 73 -0.548 -15.748 -8.168 1.00 0.00 O ATOM 0 H TYR A 73 3.924 -13.576 -1.753 1.00 0.00 H new ATOM 0 HA TYR A 73 2.268 -15.715 -2.662 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.084 -13.276 -3.245 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.522 -13.452 -4.232 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.438 -15.285 -6.102 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.031 -13.745 -4.158 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.048 -16.046 -7.979 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.420 -14.506 -6.035 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.485 -15.516 -7.996 1.00 0.00 H new ATOM 1102 N VAL A 74 5.394 -15.585 -3.694 1.00 0.00 N ATOM 1103 CA VAL A 74 6.442 -16.380 -4.316 1.00 0.00 C ATOM 1104 C VAL A 74 6.513 -17.729 -3.619 1.00 0.00 C ATOM 1105 O VAL A 74 6.760 -18.758 -4.247 1.00 0.00 O ATOM 1106 CB VAL A 74 7.820 -15.687 -4.247 1.00 0.00 C ATOM 1107 CG1 VAL A 74 8.909 -16.593 -4.804 1.00 0.00 C ATOM 1108 CG2 VAL A 74 7.792 -14.362 -4.997 1.00 0.00 C ATOM 0 H VAL A 74 5.709 -14.698 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 74 6.194 -16.502 -5.370 1.00 0.00 H new ATOM 0 HB VAL A 74 8.047 -15.485 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.871 -16.084 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.949 -17.514 -4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.687 -16.831 -5.844 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.772 -13.889 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.539 -14.541 -6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.045 -13.706 -4.550 1.00 0.00 H new ATOM 1118 N MET A 75 6.256 -17.714 -2.310 1.00 0.00 N ATOM 1119 CA MET A 75 6.252 -18.940 -1.529 1.00 0.00 C ATOM 1120 C MET A 75 5.150 -19.848 -2.054 1.00 0.00 C ATOM 1121 O MET A 75 5.368 -21.034 -2.291 1.00 0.00 O ATOM 1122 CB MET A 75 6.044 -18.640 -0.044 1.00 0.00 C ATOM 1123 CG MET A 75 6.138 -19.869 0.845 1.00 0.00 C ATOM 1124 SD MET A 75 5.987 -19.472 2.597 1.00 0.00 S ATOM 1125 CE MET A 75 6.124 -21.101 3.328 1.00 0.00 C ATOM 0 H MET A 75 6.050 -16.870 -1.776 1.00 0.00 H new ATOM 0 HA MET A 75 7.216 -19.438 -1.629 1.00 0.00 H new ATOM 0 HB2 MET A 75 6.788 -17.911 0.278 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.066 -18.178 0.091 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.355 -20.574 0.567 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.092 -20.367 0.670 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.978 -21.030 4.406 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.364 -21.756 2.902 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.113 -21.510 3.122 1.00 0.00 H new ATOM 1135 N PHE A 76 3.969 -19.269 -2.274 1.00 0.00 N ATOM 1136 CA PHE A 76 2.848 -20.028 -2.821 1.00 0.00 C ATOM 1137 C PHE A 76 3.237 -20.644 -4.164 1.00 0.00 C ATOM 1138 O PHE A 76 2.761 -21.720 -4.528 1.00 0.00 O ATOM 1139 CB PHE A 76 1.612 -19.134 -2.989 1.00 0.00 C ATOM 1140 CG PHE A 76 0.622 -19.662 -3.994 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.834 -19.474 -5.351 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -0.501 -20.365 -3.587 1.00 0.00 C ATOM 1143 CE1 PHE A 76 -0.057 -19.971 -6.283 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.396 -20.864 -4.517 1.00 0.00 C ATOM 1145 CZ PHE A 76 -1.173 -20.666 -5.865 1.00 0.00 C ATOM 0 H PHE A 76 3.767 -18.288 -2.084 1.00 0.00 H new ATOM 0 HA PHE A 76 2.600 -20.826 -2.121 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.117 -19.027 -2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.932 -18.138 -3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.707 -18.932 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.679 -20.525 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.120 -19.816 -7.337 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.269 -21.408 -4.188 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.871 -21.055 -6.591 1.00 0.00 H new ATOM 1155 N ALA A 77 4.096 -19.944 -4.899 1.00 0.00 N ATOM 1156 CA ALA A 77 4.541 -20.407 -6.209 1.00 0.00 C ATOM 1157 C ALA A 77 5.487 -21.603 -6.105 1.00 0.00 C ATOM 1158 O ALA A 77 5.619 -22.379 -7.052 1.00 0.00 O ATOM 1159 CB ALA A 77 5.214 -19.271 -6.965 1.00 0.00 C ATOM 0 H ALA A 77 4.498 -19.053 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 77 3.658 -20.736 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.542 -19.628 -7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.507 -18.452 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.076 -18.918 -6.399 1.00 0.00 H new ATOM 1165 N VAL A 78 6.149 -21.749 -4.960 1.00 0.00 N ATOM 1166 CA VAL A 78 7.084 -22.855 -4.764 1.00 0.00 C ATOM 1167 C VAL A 78 6.508 -23.913 -3.828 1.00 0.00 C ATOM 1168 O VAL A 78 6.529 -25.104 -4.135 1.00 0.00 O ATOM 1169 CB VAL A 78 8.436 -22.362 -4.209 1.00 0.00 C ATOM 1170 CG1 VAL A 78 8.267 -21.711 -2.845 1.00 0.00 C ATOM 1171 CG2 VAL A 78 9.437 -23.506 -4.142 1.00 0.00 C ATOM 0 H VAL A 78 6.057 -21.122 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 78 7.248 -23.302 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 78 8.824 -21.606 -4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.237 -21.374 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.595 -20.857 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.848 -22.435 -2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.384 -23.138 -3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.052 -24.289 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.593 -23.912 -5.141 1.00 0.00 H new ATOM 1181 N ALA A 79 5.997 -23.470 -2.686 1.00 0.00 N ATOM 1182 CA ALA A 79 5.418 -24.379 -1.705 1.00 0.00 C ATOM 1183 C ALA A 79 4.705 -23.609 -0.598 1.00 0.00 C ATOM 1184 O ALA A 79 5.354 -22.751 0.038 1.00 0.00 O ATOM 1185 CB ALA A 79 6.496 -25.276 -1.116 1.00 0.00 C ATOM 1186 OXT ALA A 79 3.504 -23.870 -0.377 1.00 0.00 O ATOM 0 H ALA A 79 5.972 -22.487 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 79 4.681 -25.001 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.049 -25.950 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.959 -25.860 -1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.254 -24.662 -0.629 1.00 0.00 H new TER 1192 ALA A 79