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 Set 2.1: A 5 ASN : amide:sc= -0.177 X(o=-0.23,f=-0.62) USER MOD Set 2.2: A 6 MET CE :methyl -167:sc= -0.0481 (180deg=-0.587) USER MOD Single : A 1 MET CE :methyl -168:sc=-0.00908 (180deg=-0.23) USER MOD Single : A 1 MET N :NH3+ -124:sc= -0.319 (180deg=-1.07) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 167:sc= 0 (180deg=-0.217) USER MOD Single : A 16 MET CE :methyl -158:sc= -0.0503 (180deg=-0.496) USER MOD Single : A 17 MET CE :methyl 163:sc=-0.00194 (180deg=-0.371) USER MOD Single : A 34 LYS NZ :NH3+ -108:sc= -0.0183 (180deg=-1.85!) USER MOD Single : A 42 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.12) USER MOD Single : A 51 THR OG1 : rot 127:sc= 1.19 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 171:sc= -0.0357 (180deg=-0.198) USER MOD Single : A 65 MET CE :methyl -134:sc= 0 (180deg=-0.772) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.673 -9.079 0.936 1.00 0.00 N ATOM 2 CA MET A 1 29.584 -8.294 2.192 1.00 0.00 C ATOM 3 C MET A 1 29.203 -6.896 1.893 1.00 0.00 C ATOM 4 O MET A 1 28.097 -6.486 2.221 1.00 0.00 O ATOM 5 CB MET A 1 30.939 -8.318 2.942 1.00 0.00 C ATOM 6 CG MET A 1 31.291 -9.692 3.545 1.00 0.00 C ATOM 7 SD MET A 1 30.058 -10.376 4.705 1.00 0.00 S ATOM 8 CE MET A 1 30.207 -9.125 6.014 1.00 0.00 C ATOM 0 H1 MET A 1 29.047 -9.907 0.999 1.00 0.00 H new ATOM 0 H2 MET A 1 29.381 -8.485 0.134 1.00 0.00 H new ATOM 0 H3 MET A 1 30.653 -9.396 0.793 1.00 0.00 H new ATOM 0 HA MET A 1 28.822 -8.745 2.827 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.730 -8.020 2.254 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.915 -7.576 3.740 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.432 -10.402 2.730 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.246 -9.609 4.064 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.692 -9.472 6.910 1.00 0.00 H new ATOM 0 HE2 MET A 1 31.260 -8.961 6.242 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.759 -8.190 5.677 1.00 0.00 H new ATOM 20 N GLU A 2 30.109 -6.143 1.234 1.00 0.00 N ATOM 21 CA GLU A 2 29.841 -4.855 0.655 1.00 0.00 C ATOM 22 C GLU A 2 28.889 -5.007 -0.506 1.00 0.00 C ATOM 23 O GLU A 2 28.072 -4.128 -0.769 1.00 0.00 O ATOM 24 CB GLU A 2 31.125 -4.162 0.149 1.00 0.00 C ATOM 25 CG GLU A 2 32.151 -3.919 1.270 1.00 0.00 C ATOM 26 CD GLU A 2 33.367 -3.184 0.709 1.00 0.00 C ATOM 27 OE1 GLU A 2 34.053 -3.762 -0.175 1.00 0.00 O ATOM 28 OE2 GLU A 2 33.626 -2.035 1.158 1.00 0.00 O ATOM 0 H GLU A 2 31.074 -6.446 1.098 1.00 0.00 H new ATOM 0 HA GLU A 2 29.404 -4.236 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 2 31.581 -4.775 -0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 2 30.862 -3.209 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 2 31.698 -3.333 2.070 1.00 0.00 H new ATOM 0 HG3 GLU A 2 32.459 -4.869 1.706 1.00 0.00 H new ATOM 35 N ASN A 3 28.967 -6.167 -1.202 1.00 0.00 N ATOM 36 CA ASN A 3 28.125 -6.530 -2.313 1.00 0.00 C ATOM 37 C ASN A 3 26.771 -6.949 -1.807 1.00 0.00 C ATOM 38 O ASN A 3 25.747 -6.480 -2.300 1.00 0.00 O ATOM 39 CB ASN A 3 28.743 -7.705 -3.107 1.00 0.00 C ATOM 40 CG ASN A 3 28.017 -7.934 -4.443 1.00 0.00 C ATOM 41 OD1 ASN A 3 28.061 -7.076 -5.333 1.00 0.00 O ATOM 42 ND2 ASN A 3 27.335 -9.113 -4.566 1.00 0.00 N ATOM 0 H ASN A 3 29.653 -6.888 -0.977 1.00 0.00 H new ATOM 0 HA ASN A 3 28.032 -5.664 -2.968 1.00 0.00 H new ATOM 0 HB2 ASN A 3 29.797 -7.502 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 3 28.696 -8.614 -2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 3 26.827 -9.321 -5.426 1.00 0.00 H new ATOM 0 HD22 ASN A 3 27.334 -9.784 -3.798 1.00 0.00 H new ATOM 49 N LEU A 4 26.764 -7.873 -0.816 1.00 0.00 N ATOM 50 CA LEU A 4 25.632 -8.366 -0.067 1.00 0.00 C ATOM 51 C LEU A 4 24.861 -7.282 0.621 1.00 0.00 C ATOM 52 O LEU A 4 23.704 -7.481 0.977 1.00 0.00 O ATOM 53 CB LEU A 4 26.019 -9.480 0.935 1.00 0.00 C ATOM 54 CG LEU A 4 26.059 -10.915 0.338 1.00 0.00 C ATOM 55 CD1 LEU A 4 24.654 -11.418 -0.050 1.00 0.00 C ATOM 56 CD2 LEU A 4 27.057 -11.085 -0.826 1.00 0.00 C ATOM 0 H LEU A 4 27.631 -8.315 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 4 24.972 -8.805 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 4 26.999 -9.249 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 4 25.309 -9.466 1.762 1.00 0.00 H new ATOM 0 HG LEU A 4 26.435 -11.545 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 4 24.729 -12.424 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 4 24.017 -11.435 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 4 24.222 -10.751 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 4 27.024 -12.113 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 4 26.789 -10.408 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 4 28.064 -10.854 -0.479 1.00 0.00 H new ATOM 68 N ASN A 5 25.500 -6.111 0.830 1.00 0.00 N ATOM 69 CA ASN A 5 24.911 -4.962 1.448 1.00 0.00 C ATOM 70 C ASN A 5 23.995 -4.247 0.507 1.00 0.00 C ATOM 71 O ASN A 5 22.920 -3.807 0.901 1.00 0.00 O ATOM 72 CB ASN A 5 25.947 -3.949 1.990 1.00 0.00 C ATOM 73 CG ASN A 5 25.414 -3.270 3.246 1.00 0.00 C ATOM 74 OD1 ASN A 5 25.204 -2.052 3.286 1.00 0.00 O ATOM 75 ND2 ASN A 5 25.185 -4.114 4.290 1.00 0.00 N ATOM 0 H ASN A 5 26.471 -5.961 0.555 1.00 0.00 H new ATOM 0 HA ASN A 5 24.352 -5.356 2.296 1.00 0.00 H new ATOM 0 HB2 ASN A 5 26.883 -4.460 2.214 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.167 -3.200 1.229 1.00 0.00 H new ATOM 0 HD21 ASN A 5 24.819 -3.750 5.170 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.379 -5.111 4.192 1.00 0.00 H new ATOM 82 N MET A 6 24.398 -4.131 -0.777 1.00 0.00 N ATOM 83 CA MET A 6 23.597 -3.574 -1.828 1.00 0.00 C ATOM 84 C MET A 6 22.506 -4.540 -2.187 1.00 0.00 C ATOM 85 O MET A 6 21.451 -4.119 -2.648 1.00 0.00 O ATOM 86 CB MET A 6 24.418 -3.239 -3.095 1.00 0.00 C ATOM 87 CG MET A 6 25.109 -1.856 -3.070 1.00 0.00 C ATOM 88 SD MET A 6 26.422 -1.609 -1.828 1.00 0.00 S ATOM 89 CE MET A 6 25.440 -0.839 -0.506 1.00 0.00 C ATOM 0 H MET A 6 25.318 -4.438 -1.094 1.00 0.00 H new ATOM 0 HA MET A 6 23.181 -2.638 -1.454 1.00 0.00 H new ATOM 0 HB2 MET A 6 25.179 -4.008 -3.232 1.00 0.00 H new ATOM 0 HB3 MET A 6 23.758 -3.285 -3.962 1.00 0.00 H new ATOM 0 HG2 MET A 6 25.536 -1.673 -4.056 1.00 0.00 H new ATOM 0 HG3 MET A 6 24.343 -1.097 -2.909 1.00 0.00 H new ATOM 0 HE1 MET A 6 26.108 -0.409 0.240 1.00 0.00 H new ATOM 0 HE2 MET A 6 24.814 -0.053 -0.928 1.00 0.00 H new ATOM 0 HE3 MET A 6 24.808 -1.593 -0.036 1.00 0.00 H new ATOM 99 N ASP A 7 22.733 -5.857 -1.949 1.00 0.00 N ATOM 100 CA ASP A 7 21.733 -6.887 -2.129 1.00 0.00 C ATOM 101 C ASP A 7 20.684 -6.791 -1.043 1.00 0.00 C ATOM 102 O ASP A 7 19.508 -7.039 -1.292 1.00 0.00 O ATOM 103 CB ASP A 7 22.369 -8.299 -2.159 1.00 0.00 C ATOM 104 CG ASP A 7 21.387 -9.383 -2.613 1.00 0.00 C ATOM 105 OD1 ASP A 7 20.861 -9.270 -3.753 1.00 0.00 O ATOM 106 OD2 ASP A 7 21.153 -10.336 -1.822 1.00 0.00 O ATOM 0 H ASP A 7 23.631 -6.215 -1.624 1.00 0.00 H new ATOM 0 HA ASP A 7 21.254 -6.727 -3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 7 23.229 -8.291 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 7 22.741 -8.546 -1.165 1.00 0.00 H new ATOM 111 N LEU A 8 21.104 -6.409 0.187 1.00 0.00 N ATOM 112 CA LEU A 8 20.271 -6.304 1.363 1.00 0.00 C ATOM 113 C LEU A 8 19.352 -5.129 1.215 1.00 0.00 C ATOM 114 O LEU A 8 18.156 -5.270 1.439 1.00 0.00 O ATOM 115 CB LEU A 8 21.124 -6.178 2.658 1.00 0.00 C ATOM 116 CG LEU A 8 20.389 -6.120 4.028 1.00 0.00 C ATOM 117 CD1 LEU A 8 19.879 -4.712 4.409 1.00 0.00 C ATOM 118 CD2 LEU A 8 19.297 -7.196 4.189 1.00 0.00 C ATOM 0 H LEU A 8 22.076 -6.160 0.372 1.00 0.00 H new ATOM 0 HA LEU A 8 19.682 -7.216 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 8 21.811 -7.024 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 8 21.731 -5.277 2.569 1.00 0.00 H new ATOM 0 HG LEU A 8 21.165 -6.361 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.379 -4.756 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 8 20.722 -4.023 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 8 19.176 -4.363 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 8 18.828 -7.095 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 8 18.544 -7.070 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 8 19.746 -8.186 4.103 1.00 0.00 H new ATOM 130 N LEU A 9 19.891 -3.951 0.819 1.00 0.00 N ATOM 131 CA LEU A 9 19.138 -2.716 0.669 1.00 0.00 C ATOM 132 C LEU A 9 18.087 -2.791 -0.413 1.00 0.00 C ATOM 133 O LEU A 9 16.999 -2.236 -0.264 1.00 0.00 O ATOM 134 CB LEU A 9 20.047 -1.514 0.319 1.00 0.00 C ATOM 135 CG LEU A 9 21.019 -1.104 1.448 1.00 0.00 C ATOM 136 CD1 LEU A 9 22.075 -0.119 0.912 1.00 0.00 C ATOM 137 CD2 LEU A 9 20.291 -0.535 2.682 1.00 0.00 C ATOM 0 H LEU A 9 20.881 -3.847 0.595 1.00 0.00 H new ATOM 0 HA LEU A 9 18.664 -2.575 1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 9 20.625 -1.758 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.419 -0.659 0.067 1.00 0.00 H new ATOM 0 HG LEU A 9 21.525 -2.008 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 9 22.753 0.162 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 9 22.641 -0.593 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 9 21.579 0.773 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 9 21.023 -0.264 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.723 0.349 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.612 -1.288 3.083 1.00 0.00 H new ATOM 149 N TYR A 10 18.398 -3.489 -1.531 1.00 0.00 N ATOM 150 CA TYR A 10 17.510 -3.655 -2.662 1.00 0.00 C ATOM 151 C TYR A 10 16.346 -4.546 -2.288 1.00 0.00 C ATOM 152 O TYR A 10 15.183 -4.201 -2.496 1.00 0.00 O ATOM 153 CB TYR A 10 18.275 -4.298 -3.847 1.00 0.00 C ATOM 154 CG TYR A 10 17.990 -3.676 -5.191 1.00 0.00 C ATOM 155 CD1 TYR A 10 16.683 -3.452 -5.656 1.00 0.00 C ATOM 156 CD2 TYR A 10 19.070 -3.372 -6.038 1.00 0.00 C ATOM 157 CE1 TYR A 10 16.458 -2.995 -6.962 1.00 0.00 C ATOM 158 CE2 TYR A 10 18.851 -2.919 -7.343 1.00 0.00 C ATOM 159 CZ TYR A 10 17.544 -2.741 -7.813 1.00 0.00 C ATOM 160 OH TYR A 10 17.322 -2.282 -9.130 1.00 0.00 O ATOM 0 H TYR A 10 19.297 -3.955 -1.655 1.00 0.00 H new ATOM 0 HA TYR A 10 17.137 -2.673 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 10 19.345 -4.231 -3.650 1.00 0.00 H new ATOM 0 HB3 TYR A 10 18.024 -5.358 -3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 10 15.844 -3.634 -5.001 1.00 0.00 H new ATOM 0 HD2 TYR A 10 20.081 -3.490 -5.677 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.449 -2.838 -7.313 1.00 0.00 H new ATOM 0 HE2 TYR A 10 19.690 -2.706 -7.989 1.00 0.00 H new ATOM 0 HH TYR A 10 18.182 -2.156 -9.582 1.00 0.00 H new ATOM 170 N MET A 11 16.657 -5.728 -1.700 1.00 0.00 N ATOM 171 CA MET A 11 15.677 -6.724 -1.332 1.00 0.00 C ATOM 172 C MET A 11 14.906 -6.328 -0.100 1.00 0.00 C ATOM 173 O MET A 11 13.860 -6.909 0.176 1.00 0.00 O ATOM 174 CB MET A 11 16.301 -8.114 -1.090 1.00 0.00 C ATOM 175 CG MET A 11 16.882 -8.737 -2.374 1.00 0.00 C ATOM 176 SD MET A 11 17.722 -10.334 -2.122 1.00 0.00 S ATOM 177 CE MET A 11 16.261 -11.342 -1.730 1.00 0.00 C ATOM 0 H MET A 11 17.614 -5.999 -1.474 1.00 0.00 H new ATOM 0 HA MET A 11 15.001 -6.785 -2.185 1.00 0.00 H new ATOM 0 HB2 MET A 11 17.090 -8.028 -0.343 1.00 0.00 H new ATOM 0 HB3 MET A 11 15.544 -8.781 -0.678 1.00 0.00 H new ATOM 0 HG2 MET A 11 16.075 -8.874 -3.094 1.00 0.00 H new ATOM 0 HG3 MET A 11 17.588 -8.035 -2.817 1.00 0.00 H new ATOM 0 HE1 MET A 11 16.527 -12.398 -1.768 1.00 0.00 H new ATOM 0 HE2 MET A 11 15.905 -11.093 -0.730 1.00 0.00 H new ATOM 0 HE3 MET A 11 15.474 -11.140 -2.457 1.00 0.00 H new ATOM 187 N ALA A 12 15.388 -5.311 0.659 1.00 0.00 N ATOM 188 CA ALA A 12 14.701 -4.718 1.775 1.00 0.00 C ATOM 189 C ALA A 12 13.461 -4.023 1.292 1.00 0.00 C ATOM 190 O ALA A 12 12.381 -4.281 1.807 1.00 0.00 O ATOM 191 CB ALA A 12 15.555 -3.716 2.574 1.00 0.00 C ATOM 0 H ALA A 12 16.298 -4.886 0.484 1.00 0.00 H new ATOM 0 HA ALA A 12 14.460 -5.538 2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.967 -3.313 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.435 -4.223 2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.869 -2.902 1.920 1.00 0.00 H new ATOM 197 N ALA A 13 13.601 -3.140 0.271 1.00 0.00 N ATOM 198 CA ALA A 13 12.541 -2.511 -0.475 1.00 0.00 C ATOM 199 C ALA A 13 11.635 -3.491 -1.166 1.00 0.00 C ATOM 200 O ALA A 13 10.482 -3.186 -1.418 1.00 0.00 O ATOM 201 CB ALA A 13 13.121 -1.542 -1.522 1.00 0.00 C ATOM 0 H ALA A 13 14.522 -2.847 -0.054 1.00 0.00 H new ATOM 0 HA ALA A 13 11.941 -1.970 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.307 -1.076 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.706 -0.772 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.761 -2.092 -2.212 1.00 0.00 H new ATOM 207 N ALA A 14 12.093 -4.713 -1.507 1.00 0.00 N ATOM 208 CA ALA A 14 11.231 -5.619 -2.242 1.00 0.00 C ATOM 209 C ALA A 14 10.293 -6.320 -1.302 1.00 0.00 C ATOM 210 O ALA A 14 9.166 -6.656 -1.663 1.00 0.00 O ATOM 211 CB ALA A 14 12.028 -6.678 -3.026 1.00 0.00 C ATOM 0 H ALA A 14 13.022 -5.073 -1.289 1.00 0.00 H new ATOM 0 HA ALA A 14 10.673 -5.012 -2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.338 -7.332 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.685 -6.183 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.626 -7.270 -2.333 1.00 0.00 H new ATOM 217 N VAL A 15 10.751 -6.506 -0.052 1.00 0.00 N ATOM 218 CA VAL A 15 10.018 -7.102 1.028 1.00 0.00 C ATOM 219 C VAL A 15 9.086 -6.068 1.607 1.00 0.00 C ATOM 220 O VAL A 15 7.952 -6.393 1.946 1.00 0.00 O ATOM 221 CB VAL A 15 11.009 -7.619 2.067 1.00 0.00 C ATOM 222 CG1 VAL A 15 10.359 -7.882 3.444 1.00 0.00 C ATOM 223 CG2 VAL A 15 11.647 -8.909 1.509 1.00 0.00 C ATOM 0 H VAL A 15 11.691 -6.223 0.224 1.00 0.00 H new ATOM 0 HA VAL A 15 9.419 -7.945 0.683 1.00 0.00 H new ATOM 0 HB VAL A 15 11.764 -6.852 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.115 -8.248 4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.931 -6.956 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.572 -8.628 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.362 -9.303 2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.869 -9.650 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 15 12.161 -8.686 0.574 1.00 0.00 H new ATOM 233 N MET A 16 9.543 -4.800 1.739 1.00 0.00 N ATOM 234 CA MET A 16 8.853 -3.777 2.486 1.00 0.00 C ATOM 235 C MET A 16 7.803 -3.107 1.655 1.00 0.00 C ATOM 236 O MET A 16 6.695 -2.875 2.133 1.00 0.00 O ATOM 237 CB MET A 16 9.809 -2.699 3.034 1.00 0.00 C ATOM 238 CG MET A 16 9.224 -1.913 4.220 1.00 0.00 C ATOM 239 SD MET A 16 10.456 -0.988 5.189 1.00 0.00 S ATOM 240 CE MET A 16 11.325 -2.391 5.953 1.00 0.00 C ATOM 0 H MET A 16 10.413 -4.477 1.316 1.00 0.00 H new ATOM 0 HA MET A 16 8.387 -4.290 3.327 1.00 0.00 H new ATOM 0 HB2 MET A 16 10.740 -3.173 3.345 1.00 0.00 H new ATOM 0 HB3 MET A 16 10.058 -2.003 2.233 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.476 -1.215 3.844 1.00 0.00 H new ATOM 0 HG3 MET A 16 8.707 -2.608 4.881 1.00 0.00 H new ATOM 0 HE1 MET A 16 11.837 -2.055 6.855 1.00 0.00 H new ATOM 0 HE2 MET A 16 10.605 -3.167 6.213 1.00 0.00 H new ATOM 0 HE3 MET A 16 12.055 -2.793 5.250 1.00 0.00 H new ATOM 250 N MET A 17 8.127 -2.788 0.376 1.00 0.00 N ATOM 251 CA MET A 17 7.189 -2.127 -0.509 1.00 0.00 C ATOM 252 C MET A 17 6.235 -3.149 -1.060 1.00 0.00 C ATOM 253 O MET A 17 5.089 -2.825 -1.366 1.00 0.00 O ATOM 254 CB MET A 17 7.900 -1.534 -1.756 1.00 0.00 C ATOM 255 CG MET A 17 9.050 -0.558 -1.449 1.00 0.00 C ATOM 256 SD MET A 17 9.920 0.032 -2.941 1.00 0.00 S ATOM 257 CE MET A 17 8.620 1.039 -3.707 1.00 0.00 C ATOM 0 H MET A 17 9.034 -2.986 -0.046 1.00 0.00 H new ATOM 0 HA MET A 17 6.701 -1.344 0.071 1.00 0.00 H new ATOM 0 HB2 MET A 17 8.291 -2.355 -2.357 1.00 0.00 H new ATOM 0 HB3 MET A 17 7.159 -1.018 -2.366 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.653 0.300 -0.906 1.00 0.00 H new ATOM 0 HG3 MET A 17 9.766 -1.049 -0.790 1.00 0.00 H new ATOM 0 HE1 MET A 17 9.064 1.703 -4.449 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.893 0.387 -4.192 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.121 1.633 -2.941 1.00 0.00 H new ATOM 267 N GLY A 18 6.697 -4.420 -1.180 1.00 0.00 N ATOM 268 CA GLY A 18 5.893 -5.526 -1.635 1.00 0.00 C ATOM 269 C GLY A 18 4.826 -5.830 -0.629 1.00 0.00 C ATOM 270 O GLY A 18 3.678 -6.059 -0.991 1.00 0.00 O ATOM 0 H GLY A 18 7.656 -4.683 -0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.440 -5.286 -2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.521 -6.404 -1.789 1.00 0.00 H new ATOM 274 N LEU A 19 5.191 -5.800 0.674 1.00 0.00 N ATOM 275 CA LEU A 19 4.286 -5.979 1.785 1.00 0.00 C ATOM 276 C LEU A 19 3.272 -4.871 1.848 1.00 0.00 C ATOM 277 O LEU A 19 2.097 -5.145 2.082 1.00 0.00 O ATOM 278 CB LEU A 19 5.049 -6.070 3.134 1.00 0.00 C ATOM 279 CG LEU A 19 4.206 -6.387 4.398 1.00 0.00 C ATOM 280 CD1 LEU A 19 4.998 -7.286 5.367 1.00 0.00 C ATOM 281 CD2 LEU A 19 3.710 -5.127 5.139 1.00 0.00 C ATOM 0 H LEU A 19 6.155 -5.645 0.968 1.00 0.00 H new ATOM 0 HA LEU A 19 3.765 -6.922 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.818 -6.837 3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.563 -5.123 3.298 1.00 0.00 H new ATOM 0 HG LEU A 19 3.320 -6.913 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.390 -7.497 6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.253 -8.222 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.912 -6.776 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.128 -5.424 6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.566 -4.532 5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.085 -4.534 4.471 1.00 0.00 H new ATOM 293 N ALA A 20 3.698 -3.595 1.668 1.00 0.00 N ATOM 294 CA ALA A 20 2.859 -2.459 1.959 1.00 0.00 C ATOM 295 C ALA A 20 1.806 -2.216 0.921 1.00 0.00 C ATOM 296 O ALA A 20 0.635 -2.118 1.267 1.00 0.00 O ATOM 297 CB ALA A 20 3.687 -1.179 2.162 1.00 0.00 C ATOM 0 H ALA A 20 4.625 -3.352 1.320 1.00 0.00 H new ATOM 0 HA ALA A 20 2.350 -2.711 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.020 -0.345 2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.376 -1.319 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.253 -0.964 1.256 1.00 0.00 H new ATOM 303 N ALA A 21 2.186 -2.086 -0.370 1.00 0.00 N ATOM 304 CA ALA A 21 1.268 -1.993 -1.490 1.00 0.00 C ATOM 305 C ALA A 21 0.288 -3.137 -1.623 1.00 0.00 C ATOM 306 O ALA A 21 -0.788 -2.960 -2.185 1.00 0.00 O ATOM 307 CB ALA A 21 1.983 -1.816 -2.834 1.00 0.00 C ATOM 0 H ALA A 21 3.166 -2.043 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 21 0.696 -1.098 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.245 -1.753 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.575 -0.901 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.639 -2.668 -3.012 1.00 0.00 H new ATOM 313 N ILE A 22 0.647 -4.356 -1.159 1.00 0.00 N ATOM 314 CA ILE A 22 -0.237 -5.507 -1.186 1.00 0.00 C ATOM 315 C ILE A 22 -1.141 -5.437 0.008 1.00 0.00 C ATOM 316 O ILE A 22 -2.295 -5.848 -0.074 1.00 0.00 O ATOM 317 CB ILE A 22 0.529 -6.819 -1.284 1.00 0.00 C ATOM 318 CG1 ILE A 22 0.958 -7.116 -2.749 1.00 0.00 C ATOM 319 CG2 ILE A 22 -0.244 -8.041 -0.728 1.00 0.00 C ATOM 320 CD1 ILE A 22 1.518 -5.938 -3.559 1.00 0.00 C ATOM 0 H ILE A 22 1.564 -4.553 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.849 -5.480 -2.088 1.00 0.00 H new ATOM 0 HB ILE A 22 1.408 -6.676 -0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.712 -7.903 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.095 -7.514 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.368 -8.937 -0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.472 -7.879 0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.173 -8.168 -1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.779 -6.277 -4.562 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.766 -5.152 -3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.408 -5.547 -3.065 1.00 0.00 H new ATOM 332 N GLY A 23 -0.663 -4.872 1.150 1.00 0.00 N ATOM 333 CA GLY A 23 -1.481 -4.703 2.328 1.00 0.00 C ATOM 334 C GLY A 23 -2.545 -3.691 2.063 1.00 0.00 C ATOM 335 O GLY A 23 -3.657 -3.786 2.586 1.00 0.00 O ATOM 0 H GLY A 23 0.293 -4.532 1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.933 -5.655 2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.864 -4.384 3.168 1.00 0.00 H new ATOM 339 N ALA A 24 -2.211 -2.720 1.177 1.00 0.00 N ATOM 340 CA ALA A 24 -3.141 -1.840 0.534 1.00 0.00 C ATOM 341 C ALA A 24 -4.141 -2.648 -0.226 1.00 0.00 C ATOM 342 O ALA A 24 -5.265 -2.800 0.231 1.00 0.00 O ATOM 343 CB ALA A 24 -2.462 -0.813 -0.381 1.00 0.00 C ATOM 0 H ALA A 24 -1.245 -2.545 0.900 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.642 -1.264 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.219 -0.176 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.778 -0.199 0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.905 -1.332 -1.161 1.00 0.00 H new ATOM 349 N ALA A 25 -3.710 -3.220 -1.377 1.00 0.00 N ATOM 350 CA ALA A 25 -4.555 -3.720 -2.442 1.00 0.00 C ATOM 351 C ALA A 25 -5.549 -4.770 -2.019 1.00 0.00 C ATOM 352 O ALA A 25 -6.668 -4.803 -2.529 1.00 0.00 O ATOM 353 CB ALA A 25 -3.712 -4.316 -3.583 1.00 0.00 C ATOM 0 H ALA A 25 -2.717 -3.342 -1.578 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.114 -2.843 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.372 -4.684 -4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.056 -3.547 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.111 -5.140 -3.199 1.00 0.00 H new ATOM 359 N ILE A 26 -5.156 -5.643 -1.064 1.00 0.00 N ATOM 360 CA ILE A 26 -5.987 -6.680 -0.502 1.00 0.00 C ATOM 361 C ILE A 26 -7.043 -6.088 0.370 1.00 0.00 C ATOM 362 O ILE A 26 -8.185 -6.508 0.252 1.00 0.00 O ATOM 363 CB ILE A 26 -5.173 -7.699 0.287 1.00 0.00 C ATOM 364 CG1 ILE A 26 -4.179 -8.448 -0.640 1.00 0.00 C ATOM 365 CG2 ILE A 26 -6.065 -8.694 1.070 1.00 0.00 C ATOM 366 CD1 ILE A 26 -4.838 -9.343 -1.696 1.00 0.00 C ATOM 0 H ILE A 26 -4.218 -5.627 -0.664 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.457 -7.203 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.601 -7.143 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.552 -7.714 -1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.520 -9.060 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.435 -9.397 1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.689 -8.146 1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.700 -9.240 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.067 -9.825 -2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.442 -10.104 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.474 -8.737 -2.341 1.00 0.00 H new ATOM 378 N GLY A 27 -6.729 -5.119 1.264 1.00 0.00 N ATOM 379 CA GLY A 27 -7.738 -4.631 2.176 1.00 0.00 C ATOM 380 C GLY A 27 -8.717 -3.731 1.571 1.00 0.00 C ATOM 381 O GLY A 27 -9.891 -3.843 1.866 1.00 0.00 O ATOM 0 H GLY A 27 -5.811 -4.685 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.264 -5.483 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.246 -4.112 2.999 1.00 0.00 H new ATOM 385 N ILE A 28 -8.293 -2.809 0.698 1.00 0.00 N ATOM 386 CA ILE A 28 -9.223 -1.973 -0.016 1.00 0.00 C ATOM 387 C ILE A 28 -9.883 -2.754 -1.130 1.00 0.00 C ATOM 388 O ILE A 28 -10.833 -2.287 -1.753 1.00 0.00 O ATOM 389 CB ILE A 28 -8.561 -0.731 -0.547 1.00 0.00 C ATOM 390 CG1 ILE A 28 -7.161 -1.016 -1.112 1.00 0.00 C ATOM 391 CG2 ILE A 28 -8.517 0.282 0.612 1.00 0.00 C ATOM 392 CD1 ILE A 28 -6.746 -0.115 -2.274 1.00 0.00 C ATOM 0 H ILE A 28 -7.312 -2.635 0.480 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.992 -1.652 0.687 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.129 -0.329 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.431 -0.910 -0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.122 -2.054 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.043 1.203 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.532 0.498 0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.945 -0.137 1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.745 -0.389 -2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.449 -0.237 -3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.748 0.925 -1.947 1.00 0.00 H new ATOM 404 N GLY A 29 -9.423 -4.004 -1.344 1.00 0.00 N ATOM 405 CA GLY A 29 -10.122 -4.990 -2.121 1.00 0.00 C ATOM 406 C GLY A 29 -11.237 -5.574 -1.297 1.00 0.00 C ATOM 407 O GLY A 29 -12.361 -5.679 -1.778 1.00 0.00 O ATOM 0 H GLY A 29 -8.538 -4.340 -0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.523 -4.537 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.435 -5.777 -2.434 1.00 0.00 H new ATOM 411 N ILE A 30 -10.940 -6.017 -0.045 1.00 0.00 N ATOM 412 CA ILE A 30 -11.920 -6.575 0.876 1.00 0.00 C ATOM 413 C ILE A 30 -12.941 -5.550 1.304 1.00 0.00 C ATOM 414 O ILE A 30 -14.098 -5.609 0.905 1.00 0.00 O ATOM 415 CB ILE A 30 -11.289 -7.320 2.047 1.00 0.00 C ATOM 416 CG1 ILE A 30 -10.511 -8.517 1.455 1.00 0.00 C ATOM 417 CG2 ILE A 30 -12.361 -7.823 3.045 1.00 0.00 C ATOM 418 CD1 ILE A 30 -9.644 -9.271 2.468 1.00 0.00 C ATOM 0 H ILE A 30 -9.996 -5.988 0.340 1.00 0.00 H new ATOM 0 HA ILE A 30 -12.465 -7.337 0.319 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.630 -6.652 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.223 -9.215 1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.874 -8.157 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -11.875 -8.349 3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.919 -6.973 3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.044 -8.501 2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.134 -10.095 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.906 -8.591 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.275 -9.665 3.265 1.00 0.00 H new ATOM 430 N LEU A 31 -12.498 -4.594 2.148 1.00 0.00 N ATOM 431 CA LEU A 31 -13.222 -3.542 2.787 1.00 0.00 C ATOM 432 C LEU A 31 -13.763 -2.543 1.814 1.00 0.00 C ATOM 433 O LEU A 31 -14.814 -1.977 2.095 1.00 0.00 O ATOM 434 CB LEU A 31 -12.289 -2.822 3.798 1.00 0.00 C ATOM 435 CG LEU A 31 -12.372 -3.357 5.247 1.00 0.00 C ATOM 436 CD1 LEU A 31 -11.744 -4.754 5.413 1.00 0.00 C ATOM 437 CD2 LEU A 31 -11.747 -2.356 6.237 1.00 0.00 C ATOM 0 H LEU A 31 -11.512 -4.562 2.408 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.073 -3.993 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.260 -2.912 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.532 -1.759 3.803 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.432 -3.466 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.834 -5.073 6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.262 -5.465 4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.691 -4.715 5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.817 -2.754 7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.699 -2.197 5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.282 -1.408 6.182 1.00 0.00 H new ATOM 449 N GLY A 32 -13.083 -2.306 0.665 1.00 0.00 N ATOM 450 CA GLY A 32 -13.548 -1.363 -0.324 1.00 0.00 C ATOM 451 C GLY A 32 -14.439 -2.036 -1.332 1.00 0.00 C ATOM 452 O GLY A 32 -15.197 -1.357 -2.021 1.00 0.00 O ATOM 0 H GLY A 32 -12.208 -2.769 0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.092 -0.555 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.695 -0.912 -0.831 1.00 0.00 H new ATOM 456 N GLY A 33 -14.375 -3.390 -1.448 1.00 0.00 N ATOM 457 CA GLY A 33 -15.170 -4.125 -2.409 1.00 0.00 C ATOM 458 C GLY A 33 -16.513 -4.462 -1.835 1.00 0.00 C ATOM 459 O GLY A 33 -17.517 -4.452 -2.545 1.00 0.00 O ATOM 0 H GLY A 33 -13.770 -3.977 -0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.294 -3.532 -3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.651 -5.040 -2.695 1.00 0.00 H new ATOM 463 N LYS A 34 -16.545 -4.767 -0.517 1.00 0.00 N ATOM 464 CA LYS A 34 -17.735 -5.097 0.233 1.00 0.00 C ATOM 465 C LYS A 34 -18.466 -3.835 0.598 1.00 0.00 C ATOM 466 O LYS A 34 -19.670 -3.862 0.850 1.00 0.00 O ATOM 467 CB LYS A 34 -17.415 -5.895 1.515 1.00 0.00 C ATOM 468 CG LYS A 34 -16.931 -7.318 1.190 1.00 0.00 C ATOM 469 CD LYS A 34 -16.470 -8.107 2.424 1.00 0.00 C ATOM 470 CE LYS A 34 -16.106 -9.567 2.115 1.00 0.00 C ATOM 471 NZ LYS A 34 -15.007 -9.655 1.122 1.00 0.00 N ATOM 0 H LYS A 34 -15.701 -4.785 0.056 1.00 0.00 H new ATOM 0 HA LYS A 34 -18.358 -5.727 -0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.650 -5.372 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.304 -5.947 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.737 -7.864 0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.108 -7.259 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.604 -7.609 2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.261 -8.089 3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.808 -10.071 3.034 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.984 -10.089 1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.387 -9.988 0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.577 -8.716 0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.286 -10.323 1.461 1.00 0.00 H new ATOM 485 N PHE A 35 -17.751 -2.684 0.580 1.00 0.00 N ATOM 486 CA PHE A 35 -18.320 -1.363 0.648 1.00 0.00 C ATOM 487 C PHE A 35 -19.191 -1.083 -0.549 1.00 0.00 C ATOM 488 O PHE A 35 -20.264 -0.503 -0.407 1.00 0.00 O ATOM 489 CB PHE A 35 -17.176 -0.319 0.639 1.00 0.00 C ATOM 490 CG PHE A 35 -17.192 0.640 1.795 1.00 0.00 C ATOM 491 CD1 PHE A 35 -17.566 0.276 3.106 1.00 0.00 C ATOM 492 CD2 PHE A 35 -16.721 1.939 1.565 1.00 0.00 C ATOM 493 CE1 PHE A 35 -17.501 1.210 4.148 1.00 0.00 C ATOM 494 CE2 PHE A 35 -16.649 2.868 2.601 1.00 0.00 C ATOM 495 CZ PHE A 35 -17.044 2.508 3.894 1.00 0.00 C ATOM 0 H PHE A 35 -16.733 -2.675 0.515 1.00 0.00 H new ATOM 0 HA PHE A 35 -18.917 -1.301 1.558 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -16.222 -0.846 0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -17.230 0.251 -0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -17.905 -0.730 3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -16.409 2.224 0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -17.803 0.929 5.146 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -16.288 3.867 2.406 1.00 0.00 H new ATOM 0 HZ PHE A 35 -16.996 3.231 4.695 1.00 0.00 H new ATOM 505 N LEU A 36 -18.726 -1.490 -1.761 1.00 0.00 N ATOM 506 CA LEU A 36 -19.423 -1.245 -3.002 1.00 0.00 C ATOM 507 C LEU A 36 -20.609 -2.177 -3.177 1.00 0.00 C ATOM 508 O LEU A 36 -21.447 -1.970 -4.047 1.00 0.00 O ATOM 509 CB LEU A 36 -18.506 -1.275 -4.248 1.00 0.00 C ATOM 510 CG LEU A 36 -18.787 -0.130 -5.266 1.00 0.00 C ATOM 511 CD1 LEU A 36 -17.551 0.130 -6.143 1.00 0.00 C ATOM 512 CD2 LEU A 36 -20.044 -0.300 -6.145 1.00 0.00 C ATOM 0 H LEU A 36 -17.850 -1.998 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 36 -19.797 -0.224 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -17.467 -1.213 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -18.626 -2.234 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.005 0.737 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.767 0.933 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.711 0.418 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.298 -0.777 -6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -20.139 0.555 -6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -19.956 -1.213 -6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.927 -0.363 -5.509 1.00 0.00 H new ATOM 524 N GLU A 37 -20.750 -3.228 -2.330 1.00 0.00 N ATOM 525 CA GLU A 37 -21.931 -4.070 -2.317 1.00 0.00 C ATOM 526 C GLU A 37 -23.078 -3.305 -1.725 1.00 0.00 C ATOM 527 O GLU A 37 -24.202 -3.413 -2.207 1.00 0.00 O ATOM 528 CB GLU A 37 -21.749 -5.385 -1.530 1.00 0.00 C ATOM 529 CG GLU A 37 -20.666 -6.314 -2.109 1.00 0.00 C ATOM 530 CD GLU A 37 -21.035 -6.763 -3.523 1.00 0.00 C ATOM 531 OE1 GLU A 37 -22.081 -7.448 -3.673 1.00 0.00 O ATOM 532 OE2 GLU A 37 -20.273 -6.426 -4.469 1.00 0.00 O ATOM 0 H GLU A 37 -20.042 -3.499 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 37 -22.125 -4.346 -3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -21.495 -5.147 -0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -22.699 -5.919 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -19.707 -5.796 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -20.546 -7.186 -1.465 1.00 0.00 H new ATOM 539 N GLY A 38 -22.790 -2.467 -0.701 1.00 0.00 N ATOM 540 CA GLY A 38 -23.747 -1.570 -0.106 1.00 0.00 C ATOM 541 C GLY A 38 -24.023 -0.400 -1.008 1.00 0.00 C ATOM 542 O GLY A 38 -25.145 0.100 -1.034 1.00 0.00 O ATOM 0 H GLY A 38 -21.865 -2.412 -0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -24.675 -2.105 0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.369 -1.214 0.852 1.00 0.00 H new ATOM 546 N ALA A 39 -22.997 0.060 -1.771 1.00 0.00 N ATOM 547 CA ALA A 39 -23.047 1.230 -2.611 1.00 0.00 C ATOM 548 C ALA A 39 -23.901 1.042 -3.831 1.00 0.00 C ATOM 549 O ALA A 39 -24.575 1.974 -4.262 1.00 0.00 O ATOM 550 CB ALA A 39 -21.664 1.686 -3.096 1.00 0.00 C ATOM 0 H ALA A 39 -22.091 -0.408 -1.801 1.00 0.00 H new ATOM 0 HA ALA A 39 -23.483 1.990 -1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -21.772 2.571 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -21.038 1.925 -2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -21.199 0.887 -3.673 1.00 0.00 H new ATOM 556 N ALA A 40 -23.857 -0.174 -4.421 1.00 0.00 N ATOM 557 CA ALA A 40 -24.466 -0.508 -5.679 1.00 0.00 C ATOM 558 C ALA A 40 -25.966 -0.580 -5.595 1.00 0.00 C ATOM 559 O ALA A 40 -26.664 -0.122 -6.497 1.00 0.00 O ATOM 560 CB ALA A 40 -23.963 -1.862 -6.216 1.00 0.00 C ATOM 0 H ALA A 40 -23.371 -0.964 -3.997 1.00 0.00 H new ATOM 0 HA ALA A 40 -24.179 0.297 -6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -24.447 -2.078 -7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -22.883 -1.818 -6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -24.202 -2.649 -5.501 1.00 0.00 H new ATOM 566 N ARG A 41 -26.486 -1.173 -4.495 1.00 0.00 N ATOM 567 CA ARG A 41 -27.893 -1.442 -4.296 1.00 0.00 C ATOM 568 C ARG A 41 -28.650 -0.186 -3.938 1.00 0.00 C ATOM 569 O ARG A 41 -29.774 0.010 -4.397 1.00 0.00 O ATOM 570 CB ARG A 41 -28.128 -2.560 -3.257 1.00 0.00 C ATOM 571 CG ARG A 41 -27.425 -2.367 -1.904 1.00 0.00 C ATOM 572 CD ARG A 41 -27.172 -3.699 -1.185 1.00 0.00 C ATOM 573 NE ARG A 41 -28.480 -4.285 -0.747 1.00 0.00 N ATOM 574 CZ ARG A 41 -28.558 -5.461 -0.052 1.00 0.00 C ATOM 575 NH1 ARG A 41 -27.432 -6.164 0.270 1.00 0.00 N ATOM 576 NH2 ARG A 41 -29.781 -5.938 0.323 1.00 0.00 N ATOM 0 H ARG A 41 -25.907 -1.478 -3.713 1.00 0.00 H new ATOM 0 HA ARG A 41 -28.286 -1.804 -5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -29.200 -2.648 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -27.798 -3.506 -3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -26.476 -1.855 -2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -28.034 -1.724 -1.269 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -26.655 -4.391 -1.850 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -26.524 -3.542 -0.322 1.00 0.00 H new ATOM 0 HE ARG A 41 -29.342 -3.790 -0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -26.515 -5.814 -0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -27.508 -7.039 0.789 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -30.626 -5.419 0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -29.850 -6.814 0.841 1.00 0.00 H new ATOM 590 N GLN A 42 -28.023 0.715 -3.139 1.00 0.00 N ATOM 591 CA GLN A 42 -28.506 2.059 -2.888 1.00 0.00 C ATOM 592 C GLN A 42 -28.003 2.917 -4.039 1.00 0.00 C ATOM 593 O GLN A 42 -27.301 2.361 -4.883 1.00 0.00 O ATOM 594 CB GLN A 42 -28.105 2.524 -1.463 1.00 0.00 C ATOM 595 CG GLN A 42 -26.665 3.029 -1.311 1.00 0.00 C ATOM 596 CD GLN A 42 -26.366 3.287 0.172 1.00 0.00 C ATOM 597 OE1 GLN A 42 -25.644 2.514 0.814 1.00 0.00 O ATOM 598 NE2 GLN A 42 -26.934 4.409 0.711 1.00 0.00 N ATOM 0 H GLN A 42 -27.152 0.504 -2.651 1.00 0.00 H new ATOM 0 HA GLN A 42 -29.593 2.133 -2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -28.784 3.319 -1.155 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -28.254 1.693 -0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -25.967 2.294 -1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -26.527 3.945 -1.885 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -27.521 5.011 0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -26.770 4.644 1.690 1.00 0.00 H new ATOM 607 N PRO A 43 -28.283 4.207 -4.226 1.00 0.00 N ATOM 608 CA PRO A 43 -27.733 4.959 -5.342 1.00 0.00 C ATOM 609 C PRO A 43 -26.277 5.221 -5.101 1.00 0.00 C ATOM 610 O PRO A 43 -25.852 5.231 -3.949 1.00 0.00 O ATOM 611 CB PRO A 43 -28.538 6.266 -5.349 1.00 0.00 C ATOM 612 CG PRO A 43 -28.970 6.465 -3.894 1.00 0.00 C ATOM 613 CD PRO A 43 -29.144 5.032 -3.381 1.00 0.00 C ATOM 0 HA PRO A 43 -27.804 4.434 -6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -27.933 7.102 -5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -29.400 6.196 -6.012 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -28.219 7.009 -3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -29.897 7.033 -3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -28.857 4.953 -2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -30.184 4.714 -3.451 1.00 0.00 H new ATOM 621 N ASP A 44 -25.500 5.433 -6.188 1.00 0.00 N ATOM 622 CA ASP A 44 -24.139 5.908 -6.115 1.00 0.00 C ATOM 623 C ASP A 44 -24.197 7.413 -6.091 1.00 0.00 C ATOM 624 O ASP A 44 -23.579 8.099 -6.904 1.00 0.00 O ATOM 625 CB ASP A 44 -23.263 5.414 -7.293 1.00 0.00 C ATOM 626 CG ASP A 44 -23.119 3.893 -7.209 1.00 0.00 C ATOM 627 OD1 ASP A 44 -22.510 3.412 -6.215 1.00 0.00 O ATOM 628 OD2 ASP A 44 -23.612 3.194 -8.133 1.00 0.00 O ATOM 0 H ASP A 44 -25.824 5.271 -7.142 1.00 0.00 H new ATOM 0 HA ASP A 44 -23.669 5.511 -5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -23.717 5.696 -8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -22.282 5.887 -7.256 1.00 0.00 H new ATOM 633 N LEU A 45 -24.978 7.947 -5.125 1.00 0.00 N ATOM 634 CA LEU A 45 -25.073 9.344 -4.807 1.00 0.00 C ATOM 635 C LEU A 45 -24.107 9.618 -3.712 1.00 0.00 C ATOM 636 O LEU A 45 -23.039 10.184 -3.941 1.00 0.00 O ATOM 637 CB LEU A 45 -26.514 9.759 -4.430 1.00 0.00 C ATOM 638 CG LEU A 45 -26.724 11.257 -4.091 1.00 0.00 C ATOM 639 CD1 LEU A 45 -26.389 12.189 -5.272 1.00 0.00 C ATOM 640 CD2 LEU A 45 -28.157 11.503 -3.581 1.00 0.00 C ATOM 0 H LEU A 45 -25.576 7.370 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.824 9.944 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -27.174 9.498 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -26.829 9.165 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.021 11.503 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -26.555 13.225 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -25.345 12.055 -5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -27.030 11.947 -6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -28.284 12.560 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -28.872 11.212 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -28.330 10.911 -2.682 1.00 0.00 H new ATOM 652 N ILE A 46 -24.473 9.205 -2.486 1.00 0.00 N ATOM 653 CA ILE A 46 -23.667 9.401 -1.314 1.00 0.00 C ATOM 654 C ILE A 46 -22.531 8.406 -1.330 1.00 0.00 C ATOM 655 O ILE A 46 -21.402 8.887 -1.232 1.00 0.00 O ATOM 656 CB ILE A 46 -24.482 9.305 -0.041 1.00 0.00 C ATOM 657 CG1 ILE A 46 -25.666 10.309 -0.069 1.00 0.00 C ATOM 658 CG2 ILE A 46 -23.576 9.495 1.200 1.00 0.00 C ATOM 659 CD1 ILE A 46 -26.623 10.185 1.121 1.00 0.00 C ATOM 0 H ILE A 46 -25.352 8.722 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 46 -23.258 10.411 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 46 -24.914 8.307 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -25.267 11.323 -0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -26.229 10.163 -0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -24.179 9.423 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -22.809 8.721 1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -23.101 10.475 1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -27.421 10.921 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -27.054 9.184 1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -26.076 10.361 2.047 1.00 0.00 H new ATOM 671 N PRO A 47 -22.671 7.072 -1.449 1.00 0.00 N ATOM 672 CA PRO A 47 -21.525 6.193 -1.456 1.00 0.00 C ATOM 673 C PRO A 47 -20.979 6.044 -2.862 1.00 0.00 C ATOM 674 O PRO A 47 -20.622 4.939 -3.254 1.00 0.00 O ATOM 675 CB PRO A 47 -22.089 4.860 -0.961 1.00 0.00 C ATOM 676 CG PRO A 47 -23.486 4.839 -1.568 1.00 0.00 C ATOM 677 CD PRO A 47 -23.918 6.296 -1.410 1.00 0.00 C ATOM 0 HA PRO A 47 -20.704 6.563 -0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -21.488 4.016 -1.299 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -22.120 4.813 0.128 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -23.473 4.527 -2.612 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -24.151 4.156 -1.040 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -24.594 6.596 -2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -24.449 6.450 -0.471 1.00 0.00 H new ATOM 685 N LEU A 48 -20.859 7.142 -3.637 1.00 0.00 N ATOM 686 CA LEU A 48 -19.877 7.229 -4.688 1.00 0.00 C ATOM 687 C LEU A 48 -18.683 7.812 -4.001 1.00 0.00 C ATOM 688 O LEU A 48 -17.570 7.309 -4.142 1.00 0.00 O ATOM 689 CB LEU A 48 -20.347 8.137 -5.849 1.00 0.00 C ATOM 690 CG LEU A 48 -19.445 8.175 -7.110 1.00 0.00 C ATOM 691 CD1 LEU A 48 -20.289 8.497 -8.359 1.00 0.00 C ATOM 692 CD2 LEU A 48 -18.259 9.156 -7.006 1.00 0.00 C ATOM 0 H LEU A 48 -21.442 7.973 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 48 -19.680 6.262 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -21.343 7.814 -6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -20.444 9.154 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.008 7.180 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -19.644 8.521 -9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -21.052 7.730 -8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -20.768 9.468 -8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.678 9.123 -7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.636 10.167 -6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.625 8.872 -6.166 1.00 0.00 H new ATOM 704 N LEU A 49 -18.936 8.882 -3.210 1.00 0.00 N ATOM 705 CA LEU A 49 -17.953 9.672 -2.515 1.00 0.00 C ATOM 706 C LEU A 49 -17.380 8.942 -1.332 1.00 0.00 C ATOM 707 O LEU A 49 -16.210 9.092 -0.991 1.00 0.00 O ATOM 708 CB LEU A 49 -18.518 11.060 -2.149 1.00 0.00 C ATOM 709 CG LEU A 49 -18.886 11.417 -0.690 1.00 0.00 C ATOM 710 CD1 LEU A 49 -17.706 11.691 0.268 1.00 0.00 C ATOM 711 CD2 LEU A 49 -19.743 12.682 -0.778 1.00 0.00 C ATOM 0 H LEU A 49 -19.886 9.215 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 49 -17.116 9.840 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -17.789 11.798 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -19.417 11.206 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 49 -19.384 10.547 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -18.090 11.930 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -17.073 10.806 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.121 12.531 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -20.039 12.991 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -19.168 13.479 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -20.633 12.478 -1.373 1.00 0.00 H new ATOM 723 N ARG A 50 -18.209 8.130 -0.652 1.00 0.00 N ATOM 724 CA ARG A 50 -17.824 7.397 0.526 1.00 0.00 C ATOM 725 C ARG A 50 -16.906 6.254 0.141 1.00 0.00 C ATOM 726 O ARG A 50 -15.885 5.999 0.775 1.00 0.00 O ATOM 727 CB ARG A 50 -19.106 6.930 1.258 1.00 0.00 C ATOM 728 CG ARG A 50 -19.030 6.934 2.788 1.00 0.00 C ATOM 729 CD ARG A 50 -18.104 5.847 3.320 1.00 0.00 C ATOM 730 NE ARG A 50 -18.138 5.839 4.822 1.00 0.00 N ATOM 731 CZ ARG A 50 -19.047 5.120 5.549 1.00 0.00 C ATOM 732 NH1 ARG A 50 -20.003 4.358 4.940 1.00 0.00 N ATOM 733 NH2 ARG A 50 -18.992 5.161 6.913 1.00 0.00 N ATOM 0 H ARG A 50 -19.179 7.975 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.261 8.026 1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.933 7.571 0.951 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -19.345 5.920 0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -18.679 7.908 3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -20.029 6.792 3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -18.411 4.875 2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.086 6.021 2.971 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.449 6.398 5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -20.050 4.316 3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -20.670 3.831 5.503 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.279 5.723 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.664 4.630 7.467 1.00 0.00 H new ATOM 747 N THR A 51 -17.271 5.561 -0.955 1.00 0.00 N ATOM 748 CA THR A 51 -16.568 4.457 -1.565 1.00 0.00 C ATOM 749 C THR A 51 -15.197 4.824 -2.088 1.00 0.00 C ATOM 750 O THR A 51 -14.262 4.031 -1.966 1.00 0.00 O ATOM 751 CB THR A 51 -17.442 3.893 -2.659 1.00 0.00 C ATOM 752 OG1 THR A 51 -18.648 3.425 -2.067 1.00 0.00 O ATOM 753 CG2 THR A 51 -16.820 2.702 -3.410 1.00 0.00 C ATOM 0 H THR A 51 -18.128 5.788 -1.460 1.00 0.00 H new ATOM 0 HA THR A 51 -16.379 3.707 -0.797 1.00 0.00 H new ATOM 0 HB THR A 51 -17.591 4.697 -3.379 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.415 3.826 -2.526 1.00 0.00 H new ATOM 0 HG21 THR A 51 -17.511 2.356 -4.179 1.00 0.00 H new ATOM 0 HG22 THR A 51 -15.885 3.014 -3.876 1.00 0.00 H new ATOM 0 HG23 THR A 51 -16.623 1.892 -2.708 1.00 0.00 H new ATOM 761 N GLN A 52 -15.038 6.047 -2.664 1.00 0.00 N ATOM 762 CA GLN A 52 -13.758 6.540 -3.150 1.00 0.00 C ATOM 763 C GLN A 52 -12.848 6.739 -2.014 1.00 0.00 C ATOM 764 O GLN A 52 -11.768 6.175 -2.025 1.00 0.00 O ATOM 765 CB GLN A 52 -13.788 7.800 -4.046 1.00 0.00 C ATOM 766 CG GLN A 52 -14.633 8.992 -3.587 1.00 0.00 C ATOM 767 CD GLN A 52 -14.338 10.226 -4.448 1.00 0.00 C ATOM 768 OE1 GLN A 52 -13.698 11.177 -3.982 1.00 0.00 O ATOM 769 NE2 GLN A 52 -14.828 10.198 -5.725 1.00 0.00 N ATOM 0 H GLN A 52 -15.806 6.705 -2.796 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.402 5.760 -3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.762 8.146 -4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -14.143 7.500 -5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -15.692 8.741 -3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -14.422 9.213 -2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -15.349 9.385 -6.054 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -14.672 10.990 -6.349 1.00 0.00 H new ATOM 778 N PHE A 53 -13.309 7.447 -0.974 1.00 0.00 N ATOM 779 CA PHE A 53 -12.602 7.737 0.259 1.00 0.00 C ATOM 780 C PHE A 53 -11.981 6.512 0.874 1.00 0.00 C ATOM 781 O PHE A 53 -10.957 6.625 1.543 1.00 0.00 O ATOM 782 CB PHE A 53 -13.552 8.414 1.288 1.00 0.00 C ATOM 783 CG PHE A 53 -12.818 8.973 2.482 1.00 0.00 C ATOM 784 CD1 PHE A 53 -11.930 10.053 2.328 1.00 0.00 C ATOM 785 CD2 PHE A 53 -12.991 8.409 3.758 1.00 0.00 C ATOM 786 CE1 PHE A 53 -11.224 10.555 3.429 1.00 0.00 C ATOM 787 CE2 PHE A 53 -12.285 8.909 4.859 1.00 0.00 C ATOM 788 CZ PHE A 53 -11.403 9.984 4.694 1.00 0.00 C ATOM 0 H PHE A 53 -14.245 7.853 -0.982 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.793 8.420 -0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -14.100 9.217 0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.289 7.687 1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -11.791 10.498 1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -13.674 7.583 3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.542 11.382 3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.421 8.466 5.835 1.00 0.00 H new ATOM 0 HZ PHE A 53 -10.861 10.373 5.543 1.00 0.00 H new ATOM 798 N PHE A 54 -12.583 5.323 0.643 1.00 0.00 N ATOM 799 CA PHE A 54 -11.991 4.064 1.037 1.00 0.00 C ATOM 800 C PHE A 54 -10.872 3.488 0.217 1.00 0.00 C ATOM 801 O PHE A 54 -9.921 2.987 0.808 1.00 0.00 O ATOM 802 CB PHE A 54 -13.021 2.957 1.386 1.00 0.00 C ATOM 803 CG PHE A 54 -13.371 2.944 2.859 1.00 0.00 C ATOM 804 CD1 PHE A 54 -13.500 4.120 3.629 1.00 0.00 C ATOM 805 CD2 PHE A 54 -13.604 1.705 3.486 1.00 0.00 C ATOM 806 CE1 PHE A 54 -13.827 4.052 4.989 1.00 0.00 C ATOM 807 CE2 PHE A 54 -13.947 1.639 4.840 1.00 0.00 C ATOM 808 CZ PHE A 54 -14.050 2.812 5.595 1.00 0.00 C ATOM 0 H PHE A 54 -13.487 5.230 0.180 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.491 4.409 1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.928 3.109 0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.617 1.985 1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.345 5.083 3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.517 0.793 2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.907 4.959 5.570 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.133 0.681 5.303 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.301 2.760 6.644 1.00 0.00 H new ATOM 818 N ILE A 55 -10.896 3.514 -1.134 1.00 0.00 N ATOM 819 CA ILE A 55 -9.758 3.022 -1.902 1.00 0.00 C ATOM 820 C ILE A 55 -8.590 3.992 -1.798 1.00 0.00 C ATOM 821 O ILE A 55 -7.430 3.619 -1.957 1.00 0.00 O ATOM 822 CB ILE A 55 -10.087 2.700 -3.356 1.00 0.00 C ATOM 823 CG1 ILE A 55 -10.652 3.908 -4.139 1.00 0.00 C ATOM 824 CG2 ILE A 55 -11.058 1.498 -3.349 1.00 0.00 C ATOM 825 CD1 ILE A 55 -10.888 3.630 -5.626 1.00 0.00 C ATOM 0 H ILE A 55 -11.675 3.863 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.473 2.070 -1.455 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.170 2.447 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -11.593 4.215 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.962 4.746 -4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.319 1.235 -4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.579 0.646 -2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.962 1.764 -2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.285 4.525 -6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.946 3.353 -6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.602 2.814 -5.735 1.00 0.00 H new ATOM 837 N VAL A 56 -8.927 5.260 -1.489 1.00 0.00 N ATOM 838 CA VAL A 56 -8.120 6.427 -1.238 1.00 0.00 C ATOM 839 C VAL A 56 -7.471 6.369 0.110 1.00 0.00 C ATOM 840 O VAL A 56 -6.333 6.800 0.263 1.00 0.00 O ATOM 841 CB VAL A 56 -9.046 7.615 -1.346 1.00 0.00 C ATOM 842 CG1 VAL A 56 -8.461 8.961 -0.916 1.00 0.00 C ATOM 843 CG2 VAL A 56 -9.526 7.711 -2.799 1.00 0.00 C ATOM 0 H VAL A 56 -9.915 5.500 -1.403 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.305 6.495 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.856 7.430 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.214 9.740 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.157 8.908 0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.595 9.195 -1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.198 8.563 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.668 7.842 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.054 6.797 -3.069 1.00 0.00 H new ATOM 853 N MET A 57 -8.167 5.800 1.120 1.00 0.00 N ATOM 854 CA MET A 57 -7.564 5.345 2.366 1.00 0.00 C ATOM 855 C MET A 57 -6.436 4.361 2.105 1.00 0.00 C ATOM 856 O MET A 57 -5.426 4.361 2.807 1.00 0.00 O ATOM 857 CB MET A 57 -8.610 4.713 3.325 1.00 0.00 C ATOM 858 CG MET A 57 -8.054 3.804 4.441 1.00 0.00 C ATOM 859 SD MET A 57 -9.310 3.223 5.627 1.00 0.00 S ATOM 860 CE MET A 57 -10.121 2.028 4.523 1.00 0.00 C ATOM 0 H MET A 57 -9.175 5.648 1.079 1.00 0.00 H new ATOM 0 HA MET A 57 -7.153 6.229 2.854 1.00 0.00 H new ATOM 0 HB2 MET A 57 -9.177 5.519 3.791 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.313 4.131 2.729 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.574 2.938 3.984 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.281 4.347 4.985 1.00 0.00 H new ATOM 0 HE1 MET A 57 -10.832 1.430 5.093 1.00 0.00 H new ATOM 0 HE2 MET A 57 -10.648 2.562 3.733 1.00 0.00 H new ATOM 0 HE3 MET A 57 -9.370 1.374 4.080 1.00 0.00 H new ATOM 870 N GLY A 58 -6.575 3.522 1.053 1.00 0.00 N ATOM 871 CA GLY A 58 -5.581 2.563 0.651 1.00 0.00 C ATOM 872 C GLY A 58 -4.490 3.174 -0.190 1.00 0.00 C ATOM 873 O GLY A 58 -3.448 2.557 -0.396 1.00 0.00 O ATOM 0 H GLY A 58 -7.407 3.511 0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.139 2.110 1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.061 1.762 0.089 1.00 0.00 H new ATOM 877 N LEU A 59 -4.694 4.419 -0.682 1.00 0.00 N ATOM 878 CA LEU A 59 -3.676 5.209 -1.341 1.00 0.00 C ATOM 879 C LEU A 59 -2.796 5.899 -0.317 1.00 0.00 C ATOM 880 O LEU A 59 -1.685 6.314 -0.638 1.00 0.00 O ATOM 881 CB LEU A 59 -4.265 6.260 -2.310 1.00 0.00 C ATOM 882 CG LEU A 59 -4.995 5.671 -3.544 1.00 0.00 C ATOM 883 CD1 LEU A 59 -5.646 6.789 -4.382 1.00 0.00 C ATOM 884 CD2 LEU A 59 -4.088 4.787 -4.426 1.00 0.00 C ATOM 0 H LEU A 59 -5.595 4.894 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.082 4.515 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.963 6.890 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.458 6.906 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.775 5.018 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.152 6.351 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.370 7.327 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.877 7.480 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.661 4.407 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.249 5.378 -4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.712 3.950 -3.837 1.00 0.00 H new ATOM 896 N VAL A 60 -3.260 6.007 0.957 1.00 0.00 N ATOM 897 CA VAL A 60 -2.456 6.440 2.088 1.00 0.00 C ATOM 898 C VAL A 60 -1.558 5.295 2.510 1.00 0.00 C ATOM 899 O VAL A 60 -0.489 5.496 3.080 1.00 0.00 O ATOM 900 CB VAL A 60 -3.286 6.928 3.273 1.00 0.00 C ATOM 901 CG1 VAL A 60 -2.390 7.477 4.405 1.00 0.00 C ATOM 902 CG2 VAL A 60 -4.261 8.020 2.785 1.00 0.00 C ATOM 0 H VAL A 60 -4.223 5.787 1.211 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.867 7.298 1.765 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.844 6.085 3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.015 7.815 5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.721 6.690 4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.801 8.314 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.859 8.375 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.695 8.851 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.919 7.606 2.021 1.00 0.00 H new ATOM 912 N ASP A 61 -1.971 4.042 2.206 1.00 0.00 N ATOM 913 CA ASP A 61 -1.200 2.850 2.480 1.00 0.00 C ATOM 914 C ASP A 61 -0.092 2.664 1.461 1.00 0.00 C ATOM 915 O ASP A 61 0.807 1.847 1.661 1.00 0.00 O ATOM 916 CB ASP A 61 -2.097 1.590 2.480 1.00 0.00 C ATOM 917 CG ASP A 61 -1.575 0.556 3.480 1.00 0.00 C ATOM 918 OD1 ASP A 61 -1.654 0.832 4.706 1.00 0.00 O ATOM 919 OD2 ASP A 61 -1.089 -0.517 3.036 1.00 0.00 O ATOM 0 H ASP A 61 -2.866 3.850 1.757 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.761 2.980 3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.120 1.866 2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.123 1.156 1.480 1.00 0.00 H new ATOM 924 N ALA A 62 -0.149 3.422 0.340 1.00 0.00 N ATOM 925 CA ALA A 62 0.861 3.451 -0.693 1.00 0.00 C ATOM 926 C ALA A 62 1.962 4.443 -0.377 1.00 0.00 C ATOM 927 O ALA A 62 3.040 4.392 -0.962 1.00 0.00 O ATOM 928 CB ALA A 62 0.264 3.824 -2.063 1.00 0.00 C ATOM 0 H ALA A 62 -0.934 4.043 0.143 1.00 0.00 H new ATOM 0 HA ALA A 62 1.275 2.443 -0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.054 3.835 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.491 3.090 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.194 4.811 -2.004 1.00 0.00 H new ATOM 934 N ILE A 63 1.712 5.417 0.523 1.00 0.00 N ATOM 935 CA ILE A 63 2.688 6.323 1.089 1.00 0.00 C ATOM 936 C ILE A 63 3.961 5.749 1.674 1.00 0.00 C ATOM 937 O ILE A 63 5.024 6.157 1.210 1.00 0.00 O ATOM 938 CB ILE A 63 1.993 7.371 1.950 1.00 0.00 C ATOM 939 CG1 ILE A 63 2.099 8.764 1.288 1.00 0.00 C ATOM 940 CG2 ILE A 63 2.374 7.432 3.445 1.00 0.00 C ATOM 941 CD1 ILE A 63 3.525 9.339 1.301 1.00 0.00 C ATOM 0 H ILE A 63 0.772 5.587 0.881 1.00 0.00 H new ATOM 0 HA ILE A 63 3.135 6.813 0.224 1.00 0.00 H new ATOM 0 HB ILE A 63 0.958 7.032 1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.752 8.695 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.432 9.455 1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.804 8.222 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.148 6.476 3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.439 7.641 3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.527 10.318 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.867 9.439 2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.193 8.668 0.760 1.00 0.00 H new ATOM 953 N PRO A 64 3.968 4.860 2.677 1.00 0.00 N ATOM 954 CA PRO A 64 5.173 4.472 3.378 1.00 0.00 C ATOM 955 C PRO A 64 5.897 3.433 2.562 1.00 0.00 C ATOM 956 O PRO A 64 6.997 3.036 2.924 1.00 0.00 O ATOM 957 CB PRO A 64 4.625 3.833 4.658 1.00 0.00 C ATOM 958 CG PRO A 64 3.329 3.137 4.212 1.00 0.00 C ATOM 959 CD PRO A 64 2.838 4.007 3.049 1.00 0.00 C ATOM 0 HA PRO A 64 5.867 5.292 3.564 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.333 3.121 5.081 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.430 4.583 5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.513 2.110 3.895 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.597 3.095 5.019 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.521 3.391 2.208 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.978 4.607 3.347 1.00 0.00 H new ATOM 967 N MET A 65 5.276 2.982 1.455 1.00 0.00 N ATOM 968 CA MET A 65 5.781 2.032 0.521 1.00 0.00 C ATOM 969 C MET A 65 6.776 2.781 -0.305 1.00 0.00 C ATOM 970 O MET A 65 7.935 2.395 -0.394 1.00 0.00 O ATOM 971 CB MET A 65 4.591 1.513 -0.316 1.00 0.00 C ATOM 972 CG MET A 65 4.909 0.581 -1.491 1.00 0.00 C ATOM 973 SD MET A 65 5.136 1.352 -3.127 1.00 0.00 S ATOM 974 CE MET A 65 3.443 1.912 -3.474 1.00 0.00 C ATOM 0 H MET A 65 4.346 3.312 1.198 1.00 0.00 H new ATOM 0 HA MET A 65 6.259 1.166 0.978 1.00 0.00 H new ATOM 0 HB2 MET A 65 3.910 0.989 0.355 1.00 0.00 H new ATOM 0 HB3 MET A 65 4.052 2.376 -0.707 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.817 0.029 -1.248 1.00 0.00 H new ATOM 0 HG3 MET A 65 4.104 -0.149 -1.570 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.173 1.643 -4.495 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.752 1.436 -2.778 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.387 2.994 -3.357 1.00 0.00 H new ATOM 984 N ILE A 66 6.344 3.912 -0.901 1.00 0.00 N ATOM 985 CA ILE A 66 7.118 4.614 -1.889 1.00 0.00 C ATOM 986 C ILE A 66 8.121 5.544 -1.281 1.00 0.00 C ATOM 987 O ILE A 66 9.174 5.734 -1.877 1.00 0.00 O ATOM 988 CB ILE A 66 6.197 5.281 -2.922 1.00 0.00 C ATOM 989 CG1 ILE A 66 6.473 4.750 -4.353 1.00 0.00 C ATOM 990 CG2 ILE A 66 6.156 6.828 -2.842 1.00 0.00 C ATOM 991 CD1 ILE A 66 7.859 5.081 -4.918 1.00 0.00 C ATOM 0 H ILE A 66 5.445 4.347 -0.695 1.00 0.00 H new ATOM 0 HA ILE A 66 7.720 3.884 -2.430 1.00 0.00 H new ATOM 0 HB ILE A 66 5.184 4.982 -2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.349 3.667 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.718 5.157 -5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.482 7.214 -3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.800 7.132 -1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.157 7.227 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.951 4.666 -5.922 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.986 6.163 -4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.626 4.650 -4.275 1.00 0.00 H new ATOM 1003 N ALA A 67 7.847 6.119 -0.087 1.00 0.00 N ATOM 1004 CA ALA A 67 8.751 7.035 0.575 1.00 0.00 C ATOM 1005 C ALA A 67 9.851 6.292 1.280 1.00 0.00 C ATOM 1006 O ALA A 67 10.962 6.809 1.396 1.00 0.00 O ATOM 1007 CB ALA A 67 8.014 7.898 1.616 1.00 0.00 C ATOM 0 H ALA A 67 6.985 5.948 0.430 1.00 0.00 H new ATOM 0 HA ALA A 67 9.170 7.675 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.722 8.575 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.235 8.478 1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.563 7.253 2.370 1.00 0.00 H new ATOM 1013 N VAL A 68 9.585 5.043 1.743 1.00 0.00 N ATOM 1014 CA VAL A 68 10.612 4.238 2.371 1.00 0.00 C ATOM 1015 C VAL A 68 11.401 3.579 1.281 1.00 0.00 C ATOM 1016 O VAL A 68 12.599 3.374 1.443 1.00 0.00 O ATOM 1017 CB VAL A 68 10.082 3.223 3.368 1.00 0.00 C ATOM 1018 CG1 VAL A 68 11.208 2.332 3.932 1.00 0.00 C ATOM 1019 CG2 VAL A 68 9.386 3.996 4.510 1.00 0.00 C ATOM 0 H VAL A 68 8.671 4.594 1.684 1.00 0.00 H new ATOM 0 HA VAL A 68 11.243 4.894 2.970 1.00 0.00 H new ATOM 0 HB VAL A 68 9.378 2.560 2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.787 1.619 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.688 1.791 3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.946 2.955 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.995 3.289 5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.105 4.658 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.566 4.587 4.102 1.00 0.00 H new ATOM 1029 N GLY A 69 10.782 3.287 0.107 1.00 0.00 N ATOM 1030 CA GLY A 69 11.512 2.696 -0.984 1.00 0.00 C ATOM 1031 C GLY A 69 12.389 3.698 -1.660 1.00 0.00 C ATOM 1032 O GLY A 69 13.338 3.325 -2.334 1.00 0.00 O ATOM 0 H GLY A 69 9.794 3.458 -0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.119 1.871 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.812 2.276 -1.707 1.00 0.00 H new ATOM 1036 N LEU A 70 12.097 4.997 -1.463 1.00 0.00 N ATOM 1037 CA LEU A 70 12.871 6.122 -1.913 1.00 0.00 C ATOM 1038 C LEU A 70 14.135 6.258 -1.116 1.00 0.00 C ATOM 1039 O LEU A 70 15.191 6.550 -1.664 1.00 0.00 O ATOM 1040 CB LEU A 70 12.039 7.418 -1.778 1.00 0.00 C ATOM 1041 CG LEU A 70 12.131 8.344 -3.002 1.00 0.00 C ATOM 1042 CD1 LEU A 70 11.040 9.431 -2.958 1.00 0.00 C ATOM 1043 CD2 LEU A 70 13.524 8.961 -3.229 1.00 0.00 C ATOM 0 H LEU A 70 11.261 5.284 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 70 13.134 5.958 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.995 7.153 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.373 7.963 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 70 11.957 7.702 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.129 10.071 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.057 8.960 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.161 10.032 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.500 9.600 -4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.805 9.555 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.255 8.166 -3.377 1.00 0.00 H new ATOM 1055 N GLY A 71 14.053 6.026 0.209 1.00 0.00 N ATOM 1056 CA GLY A 71 15.152 6.212 1.130 1.00 0.00 C ATOM 1057 C GLY A 71 16.139 5.095 0.977 1.00 0.00 C ATOM 1058 O GLY A 71 17.349 5.313 0.953 1.00 0.00 O ATOM 0 H GLY A 71 13.199 5.699 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 71 15.639 7.168 0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.779 6.242 2.154 1.00 0.00 H new ATOM 1062 N LEU A 72 15.603 3.864 0.850 1.00 0.00 N ATOM 1063 CA LEU A 72 16.299 2.629 0.631 1.00 0.00 C ATOM 1064 C LEU A 72 16.974 2.576 -0.711 1.00 0.00 C ATOM 1065 O LEU A 72 18.065 2.019 -0.829 1.00 0.00 O ATOM 1066 CB LEU A 72 15.277 1.476 0.739 1.00 0.00 C ATOM 1067 CG LEU A 72 15.221 0.901 2.173 1.00 0.00 C ATOM 1068 CD1 LEU A 72 14.938 1.906 3.310 1.00 0.00 C ATOM 1069 CD2 LEU A 72 14.264 -0.297 2.255 1.00 0.00 C ATOM 0 H LEU A 72 14.594 3.723 0.906 1.00 0.00 H new ATOM 0 HA LEU A 72 17.083 2.540 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 72 14.289 1.836 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 72 15.544 0.685 0.039 1.00 0.00 H new ATOM 0 HG LEU A 72 16.246 0.578 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 72 14.924 1.381 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.718 2.667 3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 72 13.971 2.381 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 72 14.246 -0.679 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 72 13.261 0.018 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 72 14.605 -1.082 1.580 1.00 0.00 H new ATOM 1081 N TYR A 73 16.334 3.156 -1.751 1.00 0.00 N ATOM 1082 CA TYR A 73 16.850 3.088 -3.108 1.00 0.00 C ATOM 1083 C TYR A 73 17.951 4.105 -3.315 1.00 0.00 C ATOM 1084 O TYR A 73 18.890 3.853 -4.066 1.00 0.00 O ATOM 1085 CB TYR A 73 15.778 3.280 -4.205 1.00 0.00 C ATOM 1086 CG TYR A 73 16.264 2.731 -5.517 1.00 0.00 C ATOM 1087 CD1 TYR A 73 16.304 1.340 -5.714 1.00 0.00 C ATOM 1088 CD2 TYR A 73 16.735 3.584 -6.528 1.00 0.00 C ATOM 1089 CE1 TYR A 73 16.808 0.813 -6.907 1.00 0.00 C ATOM 1090 CE2 TYR A 73 17.241 3.057 -7.722 1.00 0.00 C ATOM 1091 CZ TYR A 73 17.277 1.668 -7.914 1.00 0.00 C ATOM 1092 OH TYR A 73 17.796 1.127 -9.112 1.00 0.00 O ATOM 0 H TYR A 73 15.460 3.673 -1.661 1.00 0.00 H new ATOM 0 HA TYR A 73 17.236 2.074 -3.213 1.00 0.00 H new ATOM 0 HB2 TYR A 73 14.856 2.777 -3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 73 15.544 4.339 -4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 73 15.944 0.676 -4.942 1.00 0.00 H new ATOM 0 HD2 TYR A 73 16.707 4.654 -6.383 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.836 -0.257 -7.053 1.00 0.00 H new ATOM 0 HE2 TYR A 73 17.603 3.719 -8.495 1.00 0.00 H new ATOM 0 HH TYR A 73 18.077 1.855 -9.705 1.00 0.00 H new ATOM 1102 N VAL A 74 17.864 5.278 -2.640 1.00 0.00 N ATOM 1103 CA VAL A 74 18.888 6.308 -2.662 1.00 0.00 C ATOM 1104 C VAL A 74 20.114 5.824 -1.926 1.00 0.00 C ATOM 1105 O VAL A 74 21.232 6.191 -2.274 1.00 0.00 O ATOM 1106 CB VAL A 74 18.384 7.618 -2.065 1.00 0.00 C ATOM 1107 CG1 VAL A 74 19.510 8.632 -1.749 1.00 0.00 C ATOM 1108 CG2 VAL A 74 17.393 8.239 -3.073 1.00 0.00 C ATOM 0 H VAL A 74 17.060 5.522 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 74 19.148 6.507 -3.702 1.00 0.00 H new ATOM 0 HB VAL A 74 17.911 7.392 -1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 74 19.076 9.539 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.203 8.194 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 74 20.045 8.879 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 74 17.012 9.180 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 74 17.903 8.424 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 74 16.563 7.552 -3.237 1.00 0.00 H new ATOM 1118 N MET A 75 19.937 4.952 -0.907 1.00 0.00 N ATOM 1119 CA MET A 75 21.033 4.425 -0.124 1.00 0.00 C ATOM 1120 C MET A 75 21.823 3.417 -0.933 1.00 0.00 C ATOM 1121 O MET A 75 23.040 3.308 -0.799 1.00 0.00 O ATOM 1122 CB MET A 75 20.541 3.788 1.193 1.00 0.00 C ATOM 1123 CG MET A 75 21.663 3.473 2.196 1.00 0.00 C ATOM 1124 SD MET A 75 21.052 2.862 3.797 1.00 0.00 S ATOM 1125 CE MET A 75 22.698 2.508 4.479 1.00 0.00 C ATOM 0 H MET A 75 19.022 4.605 -0.619 1.00 0.00 H new ATOM 0 HA MET A 75 21.683 5.261 0.136 1.00 0.00 H new ATOM 0 HB2 MET A 75 19.825 4.461 1.665 1.00 0.00 H new ATOM 0 HB3 MET A 75 20.007 2.867 0.961 1.00 0.00 H new ATOM 0 HG2 MET A 75 22.330 2.728 1.762 1.00 0.00 H new ATOM 0 HG3 MET A 75 22.255 4.373 2.361 1.00 0.00 H new ATOM 0 HE1 MET A 75 22.596 2.109 5.488 1.00 0.00 H new ATOM 0 HE2 MET A 75 23.203 1.776 3.849 1.00 0.00 H new ATOM 0 HE3 MET A 75 23.284 3.426 4.510 1.00 0.00 H new ATOM 1135 N PHE A 76 21.118 2.698 -1.841 1.00 0.00 N ATOM 1136 CA PHE A 76 21.666 1.786 -2.817 1.00 0.00 C ATOM 1137 C PHE A 76 22.384 2.559 -3.909 1.00 0.00 C ATOM 1138 O PHE A 76 23.350 2.063 -4.487 1.00 0.00 O ATOM 1139 CB PHE A 76 20.524 0.878 -3.375 1.00 0.00 C ATOM 1140 CG PHE A 76 20.872 0.149 -4.648 1.00 0.00 C ATOM 1141 CD1 PHE A 76 21.724 -0.965 -4.634 1.00 0.00 C ATOM 1142 CD2 PHE A 76 20.421 0.653 -5.881 1.00 0.00 C ATOM 1143 CE1 PHE A 76 22.149 -1.546 -5.837 1.00 0.00 C ATOM 1144 CE2 PHE A 76 20.840 0.071 -7.082 1.00 0.00 C ATOM 1145 CZ PHE A 76 21.712 -1.023 -7.061 1.00 0.00 C ATOM 0 H PHE A 76 20.101 2.758 -1.897 1.00 0.00 H new ATOM 0 HA PHE A 76 22.407 1.136 -2.352 1.00 0.00 H new ATOM 0 HB2 PHE A 76 20.254 0.146 -2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 76 19.642 1.493 -3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.054 -1.377 -3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.746 1.496 -5.901 1.00 0.00 H new ATOM 0 HE1 PHE A 76 22.814 -2.397 -5.820 1.00 0.00 H new ATOM 0 HE2 PHE A 76 20.491 0.466 -8.025 1.00 0.00 H new ATOM 0 HZ PHE A 76 22.048 -1.464 -7.988 1.00 0.00 H new ATOM 1155 N ALA A 77 21.925 3.793 -4.214 1.00 0.00 N ATOM 1156 CA ALA A 77 22.430 4.592 -5.306 1.00 0.00 C ATOM 1157 C ALA A 77 23.726 5.272 -4.945 1.00 0.00 C ATOM 1158 O ALA A 77 24.493 5.645 -5.831 1.00 0.00 O ATOM 1159 CB ALA A 77 21.431 5.691 -5.713 1.00 0.00 C ATOM 0 H ALA A 77 21.181 4.251 -3.688 1.00 0.00 H new ATOM 0 HA ALA A 77 22.587 3.900 -6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 77 21.845 6.272 -6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 77 20.494 5.232 -6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 77 21.246 6.348 -4.863 1.00 0.00 H new ATOM 1165 N VAL A 78 23.994 5.445 -3.629 1.00 0.00 N ATOM 1166 CA VAL A 78 25.167 6.145 -3.143 1.00 0.00 C ATOM 1167 C VAL A 78 26.237 5.107 -2.954 1.00 0.00 C ATOM 1168 O VAL A 78 27.262 5.136 -3.634 1.00 0.00 O ATOM 1169 CB VAL A 78 24.918 6.929 -1.857 1.00 0.00 C ATOM 1170 CG1 VAL A 78 26.236 7.468 -1.252 1.00 0.00 C ATOM 1171 CG2 VAL A 78 23.970 8.103 -2.180 1.00 0.00 C ATOM 0 H VAL A 78 23.389 5.095 -2.886 1.00 0.00 H new ATOM 0 HA VAL A 78 25.465 6.902 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 78 24.470 6.264 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 78 26.018 8.020 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 78 26.899 6.634 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 78 26.721 8.130 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 78 23.779 8.677 -1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.432 8.748 -2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 78 23.029 7.714 -2.568 1.00 0.00 H new ATOM 1181 N ALA A 79 26.004 4.158 -2.020 1.00 0.00 N ATOM 1182 CA ALA A 79 26.949 3.127 -1.683 1.00 0.00 C ATOM 1183 C ALA A 79 26.905 2.034 -2.759 1.00 0.00 C ATOM 1184 O ALA A 79 27.983 1.726 -3.334 1.00 0.00 O ATOM 1185 CB ALA A 79 26.631 2.489 -0.319 1.00 0.00 C ATOM 1186 OXT ALA A 79 25.796 1.500 -3.019 1.00 0.00 O ATOM 0 H ALA A 79 25.137 4.106 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 79 27.938 3.582 -1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 79 27.366 1.715 -0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 79 26.666 3.253 0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 79 25.635 2.046 -0.348 1.00 0.00 H new TER 1192 ALA A 79