USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 602 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= 0.104 USER MOD Set 1.2: A 73 TYR OH : rot -25:sc= 0.108 USER MOD Set 2.1: A 5 ASN : amide:sc= -0.098 X(o=-0.13,f=-0.13) USER MOD Set 2.2: A 6 MET CE :methyl -163:sc= -0.0303 (180deg=-0.477) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= -1.16 (180deg=-1.77!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 153:sc= -0.0182 (180deg=-0.569) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 51 THR OG1 : rot 84:sc= 1.11 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -162:sc= -0.133 (180deg=-0.449) USER MOD Single : A 75 MET CE :methyl -164:sc= -0.0784 (180deg=-0.188) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.872 -7.520 2.301 1.00 0.00 N ATOM 2 CA MET A 1 29.866 -6.718 3.550 1.00 0.00 C ATOM 3 C MET A 1 29.255 -5.399 3.266 1.00 0.00 C ATOM 4 O MET A 1 28.150 -5.131 3.726 1.00 0.00 O ATOM 5 CB MET A 1 31.299 -6.537 4.114 1.00 0.00 C ATOM 6 CG MET A 1 31.861 -7.784 4.830 1.00 0.00 C ATOM 7 SD MET A 1 32.332 -9.168 3.742 1.00 0.00 S ATOM 8 CE MET A 1 32.839 -10.288 5.079 1.00 0.00 C ATOM 0 H1 MET A 1 29.394 -8.428 2.469 1.00 0.00 H new ATOM 0 H2 MET A 1 29.372 -7.000 1.552 1.00 0.00 H new ATOM 0 H3 MET A 1 30.854 -7.695 2.005 1.00 0.00 H new ATOM 0 HA MET A 1 29.284 -7.245 4.306 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.968 -6.270 3.296 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.299 -5.700 4.812 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.735 -7.486 5.409 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.115 -8.141 5.540 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.178 -11.232 4.653 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.651 -9.833 5.646 1.00 0.00 H new ATOM 0 HE3 MET A 1 31.992 -10.472 5.741 1.00 0.00 H new ATOM 20 N GLU A 2 29.948 -4.562 2.460 1.00 0.00 N ATOM 21 CA GLU A 2 29.397 -3.398 1.822 1.00 0.00 C ATOM 22 C GLU A 2 28.441 -3.854 0.744 1.00 0.00 C ATOM 23 O GLU A 2 27.442 -3.200 0.457 1.00 0.00 O ATOM 24 CB GLU A 2 30.496 -2.505 1.197 1.00 0.00 C ATOM 25 CG GLU A 2 29.975 -1.158 0.660 1.00 0.00 C ATOM 26 CD GLU A 2 31.139 -0.325 0.124 1.00 0.00 C ATOM 27 OE1 GLU A 2 32.037 0.029 0.935 1.00 0.00 O ATOM 28 OE2 GLU A 2 31.143 -0.027 -1.099 1.00 0.00 O ATOM 0 H GLU A 2 30.935 -4.704 2.245 1.00 0.00 H new ATOM 0 HA GLU A 2 28.882 -2.800 2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 2 31.264 -2.314 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 2 30.973 -3.050 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.245 -1.330 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 2 29.463 -0.614 1.454 1.00 0.00 H new ATOM 35 N ASN A 3 28.733 -5.037 0.154 1.00 0.00 N ATOM 36 CA ASN A 3 27.938 -5.684 -0.857 1.00 0.00 C ATOM 37 C ASN A 3 26.675 -6.238 -0.259 1.00 0.00 C ATOM 38 O ASN A 3 25.593 -6.011 -0.793 1.00 0.00 O ATOM 39 CB ASN A 3 28.686 -6.858 -1.520 1.00 0.00 C ATOM 40 CG ASN A 3 29.947 -6.335 -2.220 1.00 0.00 C ATOM 41 OD1 ASN A 3 29.853 -5.611 -3.218 1.00 0.00 O ATOM 42 ND2 ASN A 3 31.143 -6.710 -1.672 1.00 0.00 N ATOM 0 H ASN A 3 29.569 -5.570 0.396 1.00 0.00 H new ATOM 0 HA ASN A 3 27.718 -4.923 -1.606 1.00 0.00 H new ATOM 0 HB2 ASN A 3 28.956 -7.601 -0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 3 28.037 -7.355 -2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 3 32.017 -6.390 -2.088 1.00 0.00 H new ATOM 0 HD22 ASN A 3 31.160 -7.310 -0.847 1.00 0.00 H new ATOM 49 N LEU A 4 26.805 -6.984 0.869 1.00 0.00 N ATOM 50 CA LEU A 4 25.740 -7.483 1.713 1.00 0.00 C ATOM 51 C LEU A 4 24.845 -6.398 2.222 1.00 0.00 C ATOM 52 O LEU A 4 23.673 -6.637 2.501 1.00 0.00 O ATOM 53 CB LEU A 4 26.272 -8.273 2.929 1.00 0.00 C ATOM 54 CG LEU A 4 27.010 -9.583 2.567 1.00 0.00 C ATOM 55 CD1 LEU A 4 27.698 -10.176 3.813 1.00 0.00 C ATOM 56 CD2 LEU A 4 26.079 -10.618 1.904 1.00 0.00 C ATOM 0 H LEU A 4 27.724 -7.259 1.216 1.00 0.00 H new ATOM 0 HA LEU A 4 25.167 -8.147 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 4 26.949 -7.633 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 4 25.436 -8.511 3.586 1.00 0.00 H new ATOM 0 HG LEU A 4 27.773 -9.332 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 4 28.213 -11.097 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 4 28.420 -9.460 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 4 26.949 -10.391 4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 4 26.645 -11.519 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 4 25.267 -10.867 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 4 25.666 -10.200 0.986 1.00 0.00 H new ATOM 68 N ASN A 5 25.404 -5.178 2.373 1.00 0.00 N ATOM 69 CA ASN A 5 24.725 -4.034 2.904 1.00 0.00 C ATOM 70 C ASN A 5 23.772 -3.473 1.904 1.00 0.00 C ATOM 71 O ASN A 5 22.638 -3.154 2.244 1.00 0.00 O ATOM 72 CB ASN A 5 25.692 -2.907 3.337 1.00 0.00 C ATOM 73 CG ASN A 5 25.199 -2.234 4.612 1.00 0.00 C ATOM 74 OD1 ASN A 5 24.812 -1.059 4.615 1.00 0.00 O ATOM 75 ND2 ASN A 5 25.224 -3.026 5.719 1.00 0.00 N ATOM 0 H ASN A 5 26.371 -4.983 2.113 1.00 0.00 H new ATOM 0 HA ASN A 5 24.192 -4.389 3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 5 26.688 -3.318 3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 5 25.778 -2.168 2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 5 24.912 -2.657 6.617 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.555 -3.988 5.650 1.00 0.00 H new ATOM 82 N MET A 6 24.228 -3.366 0.637 1.00 0.00 N ATOM 83 CA MET A 6 23.457 -2.927 -0.487 1.00 0.00 C ATOM 84 C MET A 6 22.457 -3.982 -0.866 1.00 0.00 C ATOM 85 O MET A 6 21.424 -3.658 -1.443 1.00 0.00 O ATOM 86 CB MET A 6 24.345 -2.594 -1.709 1.00 0.00 C ATOM 87 CG MET A 6 24.833 -1.128 -1.767 1.00 0.00 C ATOM 88 SD MET A 6 25.878 -0.545 -0.385 1.00 0.00 S ATOM 89 CE MET A 6 24.612 0.226 0.669 1.00 0.00 C ATOM 0 H MET A 6 25.189 -3.600 0.387 1.00 0.00 H new ATOM 0 HA MET A 6 22.942 -2.013 -0.191 1.00 0.00 H new ATOM 0 HB2 MET A 6 25.213 -3.253 -1.701 1.00 0.00 H new ATOM 0 HB3 MET A 6 23.786 -2.814 -2.619 1.00 0.00 H new ATOM 0 HG2 MET A 6 25.391 -0.993 -2.694 1.00 0.00 H new ATOM 0 HG3 MET A 6 23.957 -0.482 -1.825 1.00 0.00 H new ATOM 0 HE1 MET A 6 25.093 0.886 1.391 1.00 0.00 H new ATOM 0 HE2 MET A 6 23.926 0.804 0.050 1.00 0.00 H new ATOM 0 HE3 MET A 6 24.058 -0.549 1.198 1.00 0.00 H new ATOM 99 N ASP A 7 22.737 -5.266 -0.531 1.00 0.00 N ATOM 100 CA ASP A 7 21.835 -6.377 -0.754 1.00 0.00 C ATOM 101 C ASP A 7 20.674 -6.306 0.206 1.00 0.00 C ATOM 102 O ASP A 7 19.530 -6.511 -0.189 1.00 0.00 O ATOM 103 CB ASP A 7 22.559 -7.742 -0.639 1.00 0.00 C ATOM 104 CG ASP A 7 21.690 -8.905 -1.128 1.00 0.00 C ATOM 105 OD1 ASP A 7 21.318 -8.898 -2.332 1.00 0.00 O ATOM 106 OD2 ASP A 7 21.393 -9.811 -0.305 1.00 0.00 O ATOM 0 H ASP A 7 23.615 -5.542 -0.092 1.00 0.00 H new ATOM 0 HA ASP A 7 21.457 -6.298 -1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 7 23.481 -7.712 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 7 22.842 -7.914 0.400 1.00 0.00 H new ATOM 111 N LEU A 8 20.962 -5.993 1.489 1.00 0.00 N ATOM 112 CA LEU A 8 20.002 -5.915 2.565 1.00 0.00 C ATOM 113 C LEU A 8 19.130 -4.701 2.386 1.00 0.00 C ATOM 114 O LEU A 8 17.943 -4.743 2.691 1.00 0.00 O ATOM 115 CB LEU A 8 20.719 -5.828 3.936 1.00 0.00 C ATOM 116 CG LEU A 8 19.805 -5.823 5.188 1.00 0.00 C ATOM 117 CD1 LEU A 8 18.936 -7.092 5.298 1.00 0.00 C ATOM 118 CD2 LEU A 8 20.640 -5.613 6.467 1.00 0.00 C ATOM 0 H LEU A 8 21.912 -5.783 1.795 1.00 0.00 H new ATOM 0 HA LEU A 8 19.390 -6.817 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 8 21.406 -6.670 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 8 21.323 -4.921 3.950 1.00 0.00 H new ATOM 0 HG LEU A 8 19.116 -4.986 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 8 18.317 -7.033 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.296 -7.172 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 8 19.580 -7.970 5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 8 19.981 -5.612 7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.367 -6.419 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 8 21.163 -4.658 6.408 1.00 0.00 H new ATOM 130 N LEU A 9 19.722 -3.603 1.865 1.00 0.00 N ATOM 131 CA LEU A 9 19.082 -2.334 1.591 1.00 0.00 C ATOM 132 C LEU A 9 18.067 -2.421 0.464 1.00 0.00 C ATOM 133 O LEU A 9 16.981 -1.842 0.534 1.00 0.00 O ATOM 134 CB LEU A 9 20.176 -1.312 1.209 1.00 0.00 C ATOM 135 CG LEU A 9 19.749 0.162 1.076 1.00 0.00 C ATOM 136 CD1 LEU A 9 19.272 0.761 2.410 1.00 0.00 C ATOM 137 CD2 LEU A 9 20.924 0.978 0.515 1.00 0.00 C ATOM 0 H LEU A 9 20.712 -3.597 1.618 1.00 0.00 H new ATOM 0 HA LEU A 9 18.542 -2.029 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 9 20.966 -1.368 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 9 20.613 -1.624 0.260 1.00 0.00 H new ATOM 0 HG LEU A 9 18.900 0.204 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 9 18.983 1.801 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 9 18.415 0.196 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 9 20.079 0.711 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 9 20.628 2.023 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 9 21.775 0.903 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 9 21.203 0.588 -0.464 1.00 0.00 H new ATOM 149 N TYR A 10 18.407 -3.173 -0.611 1.00 0.00 N ATOM 150 CA TYR A 10 17.582 -3.373 -1.786 1.00 0.00 C ATOM 151 C TYR A 10 16.394 -4.217 -1.408 1.00 0.00 C ATOM 152 O TYR A 10 15.245 -3.879 -1.692 1.00 0.00 O ATOM 153 CB TYR A 10 18.390 -4.120 -2.881 1.00 0.00 C ATOM 154 CG TYR A 10 18.090 -3.685 -4.293 1.00 0.00 C ATOM 155 CD1 TYR A 10 16.788 -3.667 -4.824 1.00 0.00 C ATOM 156 CD2 TYR A 10 19.165 -3.349 -5.133 1.00 0.00 C ATOM 157 CE1 TYR A 10 16.572 -3.342 -6.170 1.00 0.00 C ATOM 158 CE2 TYR A 10 18.954 -3.015 -6.473 1.00 0.00 C ATOM 159 CZ TYR A 10 17.657 -3.023 -6.999 1.00 0.00 C ATOM 160 OH TYR A 10 17.446 -2.718 -8.361 1.00 0.00 O ATOM 0 H TYR A 10 19.298 -3.666 -0.667 1.00 0.00 H new ATOM 0 HA TYR A 10 17.260 -2.404 -2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 10 19.453 -3.977 -2.690 1.00 0.00 H new ATOM 0 HB3 TYR A 10 18.191 -5.188 -2.795 1.00 0.00 H new ATOM 0 HD1 TYR A 10 15.947 -3.906 -4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 10 20.170 -3.349 -4.737 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.569 -3.337 -6.569 1.00 0.00 H new ATOM 0 HE2 TYR A 10 19.791 -2.751 -7.102 1.00 0.00 H new ATOM 0 HH TYR A 10 18.305 -2.519 -8.789 1.00 0.00 H new ATOM 170 N MET A 11 16.684 -5.339 -0.706 1.00 0.00 N ATOM 171 CA MET A 11 15.698 -6.268 -0.209 1.00 0.00 C ATOM 172 C MET A 11 14.864 -5.672 0.892 1.00 0.00 C ATOM 173 O MET A 11 13.797 -6.199 1.186 1.00 0.00 O ATOM 174 CB MET A 11 16.334 -7.570 0.319 1.00 0.00 C ATOM 175 CG MET A 11 16.943 -8.431 -0.801 1.00 0.00 C ATOM 176 SD MET A 11 17.837 -9.891 -0.187 1.00 0.00 S ATOM 177 CE MET A 11 18.209 -10.561 -1.833 1.00 0.00 C ATOM 0 H MET A 11 17.640 -5.610 -0.476 1.00 0.00 H new ATOM 0 HA MET A 11 15.063 -6.498 -1.065 1.00 0.00 H new ATOM 0 HB2 MET A 11 17.110 -7.323 1.044 1.00 0.00 H new ATOM 0 HB3 MET A 11 15.578 -8.151 0.847 1.00 0.00 H new ATOM 0 HG2 MET A 11 16.148 -8.757 -1.471 1.00 0.00 H new ATOM 0 HG3 MET A 11 17.625 -7.818 -1.390 1.00 0.00 H new ATOM 0 HE1 MET A 11 18.771 -11.489 -1.730 1.00 0.00 H new ATOM 0 HE2 MET A 11 17.278 -10.758 -2.364 1.00 0.00 H new ATOM 0 HE3 MET A 11 18.801 -9.838 -2.395 1.00 0.00 H new ATOM 187 N ALA A 12 15.308 -4.547 1.514 1.00 0.00 N ATOM 188 CA ALA A 12 14.565 -3.822 2.511 1.00 0.00 C ATOM 189 C ALA A 12 13.332 -3.230 1.899 1.00 0.00 C ATOM 190 O ALA A 12 12.248 -3.443 2.426 1.00 0.00 O ATOM 191 CB ALA A 12 15.344 -2.697 3.220 1.00 0.00 C ATOM 0 H ALA A 12 16.217 -4.131 1.312 1.00 0.00 H new ATOM 0 HA ALA A 12 14.328 -4.562 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.698 -2.212 3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.212 -3.119 3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.674 -1.963 2.484 1.00 0.00 H new ATOM 197 N ALA A 13 13.470 -2.497 0.761 1.00 0.00 N ATOM 198 CA ALA A 13 12.379 -1.987 -0.036 1.00 0.00 C ATOM 199 C ALA A 13 11.472 -3.048 -0.548 1.00 0.00 C ATOM 200 O ALA A 13 10.280 -2.808 -0.653 1.00 0.00 O ATOM 201 CB ALA A 13 12.888 -1.163 -1.232 1.00 0.00 C ATOM 0 H ALA A 13 14.384 -2.250 0.382 1.00 0.00 H new ATOM 0 HA ALA A 13 11.811 -1.353 0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.039 -0.796 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.473 -0.318 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.513 -1.791 -1.867 1.00 0.00 H new ATOM 207 N ALA A 14 11.972 -4.257 -0.867 1.00 0.00 N ATOM 208 CA ALA A 14 11.126 -5.237 -1.511 1.00 0.00 C ATOM 209 C ALA A 14 10.301 -5.967 -0.492 1.00 0.00 C ATOM 210 O ALA A 14 9.255 -6.523 -0.809 1.00 0.00 O ATOM 211 CB ALA A 14 11.943 -6.269 -2.311 1.00 0.00 C ATOM 0 H ALA A 14 12.930 -4.558 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 14 10.481 -4.692 -2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.267 -6.985 -2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.519 -5.758 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.622 -6.795 -1.640 1.00 0.00 H new ATOM 217 N VAL A 15 10.751 -5.935 0.775 1.00 0.00 N ATOM 218 CA VAL A 15 10.068 -6.481 1.915 1.00 0.00 C ATOM 219 C VAL A 15 9.140 -5.416 2.450 1.00 0.00 C ATOM 220 O VAL A 15 8.119 -5.733 3.050 1.00 0.00 O ATOM 221 CB VAL A 15 11.110 -6.914 2.939 1.00 0.00 C ATOM 222 CG1 VAL A 15 10.546 -7.074 4.367 1.00 0.00 C ATOM 223 CG2 VAL A 15 11.721 -8.243 2.443 1.00 0.00 C ATOM 0 H VAL A 15 11.642 -5.504 1.021 1.00 0.00 H new ATOM 0 HA VAL A 15 9.472 -7.357 1.660 1.00 0.00 H new ATOM 0 HB VAL A 15 11.863 -6.130 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.345 -7.384 5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.135 -6.123 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.760 -7.829 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.474 -8.585 3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.936 -8.994 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 15 12.185 -8.089 1.469 1.00 0.00 H new ATOM 233 N MET A 16 9.456 -4.120 2.228 1.00 0.00 N ATOM 234 CA MET A 16 8.676 -3.013 2.722 1.00 0.00 C ATOM 235 C MET A 16 7.511 -2.777 1.820 1.00 0.00 C ATOM 236 O MET A 16 6.378 -3.013 2.233 1.00 0.00 O ATOM 237 CB MET A 16 9.492 -1.702 2.845 1.00 0.00 C ATOM 238 CG MET A 16 10.247 -1.571 4.179 1.00 0.00 C ATOM 239 SD MET A 16 9.159 -1.308 5.614 1.00 0.00 S ATOM 240 CE MET A 16 10.498 -1.211 6.837 1.00 0.00 C ATOM 0 H MET A 16 10.275 -3.833 1.691 1.00 0.00 H new ATOM 0 HA MET A 16 8.345 -3.286 3.724 1.00 0.00 H new ATOM 0 HB2 MET A 16 10.208 -1.651 2.025 1.00 0.00 H new ATOM 0 HB3 MET A 16 8.818 -0.852 2.733 1.00 0.00 H new ATOM 0 HG2 MET A 16 10.837 -2.473 4.342 1.00 0.00 H new ATOM 0 HG3 MET A 16 10.948 -0.740 4.109 1.00 0.00 H new ATOM 0 HE1 MET A 16 10.074 -1.048 7.828 1.00 0.00 H new ATOM 0 HE2 MET A 16 11.063 -2.143 6.833 1.00 0.00 H new ATOM 0 HE3 MET A 16 11.161 -0.384 6.585 1.00 0.00 H new ATOM 250 N MET A 17 7.746 -2.300 0.570 1.00 0.00 N ATOM 251 CA MET A 17 6.621 -1.977 -0.297 1.00 0.00 C ATOM 252 C MET A 17 6.059 -3.196 -0.955 1.00 0.00 C ATOM 253 O MET A 17 4.925 -3.152 -1.425 1.00 0.00 O ATOM 254 CB MET A 17 6.915 -0.952 -1.431 1.00 0.00 C ATOM 255 CG MET A 17 8.341 -0.890 -2.008 1.00 0.00 C ATOM 256 SD MET A 17 8.413 -0.067 -3.629 1.00 0.00 S ATOM 257 CE MET A 17 10.184 -0.304 -3.942 1.00 0.00 C ATOM 0 H MET A 17 8.670 -2.141 0.167 1.00 0.00 H new ATOM 0 HA MET A 17 5.914 -1.520 0.395 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.232 -1.162 -2.254 1.00 0.00 H new ATOM 0 HB3 MET A 17 6.665 0.040 -1.055 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.988 -0.361 -1.308 1.00 0.00 H new ATOM 0 HG3 MET A 17 8.734 -1.902 -2.102 1.00 0.00 H new ATOM 0 HE1 MET A 17 10.364 -0.324 -5.017 1.00 0.00 H new ATOM 0 HE2 MET A 17 10.745 0.516 -3.495 1.00 0.00 H new ATOM 0 HE3 MET A 17 10.508 -1.247 -3.502 1.00 0.00 H new ATOM 267 N GLY A 18 6.792 -4.332 -0.979 1.00 0.00 N ATOM 268 CA GLY A 18 6.228 -5.571 -1.462 1.00 0.00 C ATOM 269 C GLY A 18 5.141 -6.025 -0.535 1.00 0.00 C ATOM 270 O GLY A 18 4.018 -6.282 -0.965 1.00 0.00 O ATOM 0 H GLY A 18 7.762 -4.397 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.829 -5.433 -2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.004 -6.333 -1.529 1.00 0.00 H new ATOM 274 N LEU A 19 5.458 -6.096 0.781 1.00 0.00 N ATOM 275 CA LEU A 19 4.541 -6.556 1.791 1.00 0.00 C ATOM 276 C LEU A 19 3.365 -5.633 1.907 1.00 0.00 C ATOM 277 O LEU A 19 2.229 -6.066 1.724 1.00 0.00 O ATOM 278 CB LEU A 19 5.248 -6.708 3.161 1.00 0.00 C ATOM 279 CG LEU A 19 4.544 -7.525 4.276 1.00 0.00 C ATOM 280 CD1 LEU A 19 5.579 -7.883 5.362 1.00 0.00 C ATOM 281 CD2 LEU A 19 3.327 -6.837 4.928 1.00 0.00 C ATOM 0 H LEU A 19 6.371 -5.828 1.149 1.00 0.00 H new ATOM 0 HA LEU A 19 4.179 -7.538 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.222 -7.164 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.432 -5.707 3.551 1.00 0.00 H new ATOM 0 HG LEU A 19 4.142 -8.412 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.094 -8.458 6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.379 -8.476 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.996 -6.968 5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.907 -7.490 5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.641 -5.898 5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.572 -6.637 4.168 1.00 0.00 H new ATOM 293 N ALA A 20 3.615 -4.352 2.279 1.00 0.00 N ATOM 294 CA ALA A 20 2.567 -3.509 2.801 1.00 0.00 C ATOM 295 C ALA A 20 1.657 -2.971 1.739 1.00 0.00 C ATOM 296 O ALA A 20 0.449 -2.927 1.956 1.00 0.00 O ATOM 297 CB ALA A 20 3.076 -2.446 3.780 1.00 0.00 C ATOM 0 H ALA A 20 4.530 -3.906 2.219 1.00 0.00 H new ATOM 0 HA ALA A 20 1.937 -4.163 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.237 -1.847 4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.558 -2.933 4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.795 -1.801 3.275 1.00 0.00 H new ATOM 303 N ALA A 21 2.199 -2.536 0.573 1.00 0.00 N ATOM 304 CA ALA A 21 1.415 -2.165 -0.591 1.00 0.00 C ATOM 305 C ALA A 21 0.483 -3.241 -1.101 1.00 0.00 C ATOM 306 O ALA A 21 -0.582 -2.928 -1.623 1.00 0.00 O ATOM 307 CB ALA A 21 2.243 -1.641 -1.778 1.00 0.00 C ATOM 0 H ALA A 21 3.205 -2.439 0.432 1.00 0.00 H new ATOM 0 HA ALA A 21 0.813 -1.348 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.577 -1.388 -2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.795 -0.753 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.944 -2.411 -2.101 1.00 0.00 H new ATOM 313 N ILE A 22 0.879 -4.538 -1.016 1.00 0.00 N ATOM 314 CA ILE A 22 0.059 -5.638 -1.502 1.00 0.00 C ATOM 315 C ILE A 22 -0.957 -5.990 -0.456 1.00 0.00 C ATOM 316 O ILE A 22 -2.069 -6.386 -0.790 1.00 0.00 O ATOM 317 CB ILE A 22 0.901 -6.831 -1.945 1.00 0.00 C ATOM 318 CG1 ILE A 22 1.510 -6.601 -3.358 1.00 0.00 C ATOM 319 CG2 ILE A 22 0.122 -8.170 -1.944 1.00 0.00 C ATOM 320 CD1 ILE A 22 2.150 -5.232 -3.616 1.00 0.00 C ATOM 0 H ILE A 22 1.768 -4.830 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.472 -5.322 -2.400 1.00 0.00 H new ATOM 0 HB ILE A 22 1.697 -6.909 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.265 -7.368 -3.533 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.723 -6.754 -4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.781 -8.975 -2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.238 -8.381 -0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.726 -8.098 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.537 -5.197 -4.634 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.402 -4.450 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.967 -5.074 -2.912 1.00 0.00 H new ATOM 332 N GLY A 23 -0.623 -5.813 0.845 1.00 0.00 N ATOM 333 CA GLY A 23 -1.553 -6.045 1.925 1.00 0.00 C ATOM 334 C GLY A 23 -2.635 -5.015 1.904 1.00 0.00 C ATOM 335 O GLY A 23 -3.783 -5.292 2.252 1.00 0.00 O ATOM 0 H GLY A 23 0.300 -5.506 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.987 -7.041 1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.028 -6.012 2.880 1.00 0.00 H new ATOM 339 N ALA A 24 -2.264 -3.795 1.452 1.00 0.00 N ATOM 340 CA ALA A 24 -3.170 -2.746 1.071 1.00 0.00 C ATOM 341 C ALA A 24 -4.073 -3.217 -0.021 1.00 0.00 C ATOM 342 O ALA A 24 -5.270 -3.335 0.199 1.00 0.00 O ATOM 343 CB ALA A 24 -2.435 -1.460 0.681 1.00 0.00 C ATOM 0 H ALA A 24 -1.285 -3.529 1.348 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.779 -2.498 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.161 -0.697 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.845 -1.107 1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.775 -1.660 -0.163 1.00 0.00 H new ATOM 349 N ALA A 25 -3.490 -3.538 -1.203 1.00 0.00 N ATOM 350 CA ALA A 25 -4.166 -3.932 -2.434 1.00 0.00 C ATOM 351 C ALA A 25 -5.303 -4.915 -2.260 1.00 0.00 C ATOM 352 O ALA A 25 -6.359 -4.760 -2.875 1.00 0.00 O ATOM 353 CB ALA A 25 -3.193 -4.528 -3.467 1.00 0.00 C ATOM 0 H ALA A 25 -2.476 -3.523 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.588 -2.991 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.743 -4.806 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.433 -3.788 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.713 -5.412 -3.047 1.00 0.00 H new ATOM 359 N ILE A 26 -5.106 -5.930 -1.386 1.00 0.00 N ATOM 360 CA ILE A 26 -6.086 -6.934 -1.025 1.00 0.00 C ATOM 361 C ILE A 26 -7.253 -6.329 -0.313 1.00 0.00 C ATOM 362 O ILE A 26 -8.369 -6.582 -0.737 1.00 0.00 O ATOM 363 CB ILE A 26 -5.494 -8.028 -0.142 1.00 0.00 C ATOM 364 CG1 ILE A 26 -4.364 -8.777 -0.886 1.00 0.00 C ATOM 365 CG2 ILE A 26 -6.578 -9.027 0.341 1.00 0.00 C ATOM 366 CD1 ILE A 26 -3.473 -9.589 0.057 1.00 0.00 C ATOM 0 H ILE A 26 -4.217 -6.061 -0.903 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.417 -7.377 -1.964 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.074 -7.544 0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.803 -9.444 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.751 -8.056 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.116 -9.791 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.334 -8.493 0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.047 -9.500 -0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.698 -10.093 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.009 -8.922 0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.077 -10.331 0.580 1.00 0.00 H new ATOM 378 N GLY A 27 -7.056 -5.557 0.780 1.00 0.00 N ATOM 379 CA GLY A 27 -8.159 -5.130 1.611 1.00 0.00 C ATOM 380 C GLY A 27 -8.888 -3.927 1.120 1.00 0.00 C ATOM 381 O GLY A 27 -10.010 -3.671 1.539 1.00 0.00 O ATOM 0 H GLY A 27 -6.141 -5.229 1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.867 -5.954 1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.781 -4.924 2.612 1.00 0.00 H new ATOM 385 N ILE A 28 -8.285 -3.141 0.206 1.00 0.00 N ATOM 386 CA ILE A 28 -8.988 -2.094 -0.511 1.00 0.00 C ATOM 387 C ILE A 28 -9.856 -2.772 -1.527 1.00 0.00 C ATOM 388 O ILE A 28 -10.909 -2.278 -1.924 1.00 0.00 O ATOM 389 CB ILE A 28 -8.062 -1.195 -1.298 1.00 0.00 C ATOM 390 CG1 ILE A 28 -6.876 -0.729 -0.455 1.00 0.00 C ATOM 391 CG2 ILE A 28 -8.831 0.009 -1.888 1.00 0.00 C ATOM 392 CD1 ILE A 28 -5.701 -0.474 -1.399 1.00 0.00 C ATOM 0 H ILE A 28 -7.300 -3.225 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.526 -1.492 0.221 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.662 -1.781 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.130 0.179 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.614 -1.485 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.143 0.641 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.617 -0.351 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.277 0.588 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.838 -0.139 -0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.451 -1.395 -1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.975 0.294 -2.122 1.00 0.00 H new ATOM 404 N GLY A 29 -9.403 -3.967 -1.958 1.00 0.00 N ATOM 405 CA GLY A 29 -10.083 -4.748 -2.933 1.00 0.00 C ATOM 406 C GLY A 29 -11.279 -5.383 -2.276 1.00 0.00 C ATOM 407 O GLY A 29 -12.380 -5.336 -2.819 1.00 0.00 O ATOM 0 H GLY A 29 -8.542 -4.395 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.396 -4.123 -3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.420 -5.513 -3.337 1.00 0.00 H new ATOM 411 N ILE A 30 -11.071 -6.012 -1.088 1.00 0.00 N ATOM 412 CA ILE A 30 -12.121 -6.601 -0.280 1.00 0.00 C ATOM 413 C ILE A 30 -13.073 -5.574 0.262 1.00 0.00 C ATOM 414 O ILE A 30 -14.202 -5.468 -0.204 1.00 0.00 O ATOM 415 CB ILE A 30 -11.610 -7.560 0.788 1.00 0.00 C ATOM 416 CG1 ILE A 30 -10.886 -8.702 0.037 1.00 0.00 C ATOM 417 CG2 ILE A 30 -12.774 -8.113 1.650 1.00 0.00 C ATOM 418 CD1 ILE A 30 -10.224 -9.744 0.941 1.00 0.00 C ATOM 0 H ILE A 30 -10.143 -6.114 -0.676 1.00 0.00 H new ATOM 0 HA ILE A 30 -12.697 -7.225 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.935 -7.052 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.605 -9.206 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.125 -8.267 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -12.377 -8.794 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -13.287 -7.287 2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.477 -8.648 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.742 -10.505 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.478 -9.259 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.980 -10.212 1.571 1.00 0.00 H new ATOM 430 N LEU A 31 -12.627 -4.841 1.308 1.00 0.00 N ATOM 431 CA LEU A 31 -13.408 -3.938 2.116 1.00 0.00 C ATOM 432 C LEU A 31 -13.896 -2.743 1.366 1.00 0.00 C ATOM 433 O LEU A 31 -15.012 -2.301 1.611 1.00 0.00 O ATOM 434 CB LEU A 31 -12.647 -3.498 3.397 1.00 0.00 C ATOM 435 CG LEU A 31 -13.295 -3.993 4.714 1.00 0.00 C ATOM 436 CD1 LEU A 31 -12.415 -3.626 5.924 1.00 0.00 C ATOM 437 CD2 LEU A 31 -14.744 -3.504 4.923 1.00 0.00 C ATOM 0 H LEU A 31 -11.654 -4.882 1.610 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.288 -4.509 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.624 -3.869 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.590 -2.410 3.418 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.358 -5.078 4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.888 -3.982 6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.436 -4.092 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.298 -2.543 5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.127 -3.893 5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.760 -2.414 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.369 -3.859 4.104 1.00 0.00 H new ATOM 449 N GLY A 32 -13.072 -2.209 0.435 1.00 0.00 N ATOM 450 CA GLY A 32 -13.412 -1.075 -0.387 1.00 0.00 C ATOM 451 C GLY A 32 -14.265 -1.499 -1.548 1.00 0.00 C ATOM 452 O GLY A 32 -14.976 -0.670 -2.115 1.00 0.00 O ATOM 0 H GLY A 32 -12.139 -2.577 0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.943 -0.333 0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.502 -0.598 -0.752 1.00 0.00 H new ATOM 456 N GLY A 33 -14.232 -2.808 -1.923 1.00 0.00 N ATOM 457 CA GLY A 33 -15.089 -3.331 -2.963 1.00 0.00 C ATOM 458 C GLY A 33 -16.467 -3.570 -2.420 1.00 0.00 C ATOM 459 O GLY A 33 -17.457 -3.372 -3.119 1.00 0.00 O ATOM 0 H GLY A 33 -13.612 -3.501 -1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.134 -2.629 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.676 -4.262 -3.352 1.00 0.00 H new ATOM 463 N LYS A 34 -16.537 -3.988 -1.131 1.00 0.00 N ATOM 464 CA LYS A 34 -17.736 -4.280 -0.381 1.00 0.00 C ATOM 465 C LYS A 34 -18.434 -3.001 -0.028 1.00 0.00 C ATOM 466 O LYS A 34 -19.658 -2.949 0.070 1.00 0.00 O ATOM 467 CB LYS A 34 -17.401 -5.011 0.940 1.00 0.00 C ATOM 468 CG LYS A 34 -18.619 -5.558 1.701 1.00 0.00 C ATOM 469 CD LYS A 34 -18.227 -6.350 2.956 1.00 0.00 C ATOM 470 CE LYS A 34 -19.443 -6.888 3.723 1.00 0.00 C ATOM 471 NZ LYS A 34 -19.022 -7.643 4.925 1.00 0.00 N ATOM 0 H LYS A 34 -15.695 -4.132 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 34 -18.369 -4.914 -1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.726 -5.838 0.720 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.861 -4.324 1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.266 -4.729 1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -19.198 -6.200 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.586 -7.184 2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.641 -5.710 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -20.087 -6.059 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -20.032 -7.534 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.863 -7.996 5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.426 -8.446 4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.481 -7.018 5.556 1.00 0.00 H new ATOM 485 N PHE A 35 -17.641 -1.924 0.161 1.00 0.00 N ATOM 486 CA PHE A 35 -18.111 -0.614 0.511 1.00 0.00 C ATOM 487 C PHE A 35 -18.907 0.001 -0.619 1.00 0.00 C ATOM 488 O PHE A 35 -19.921 0.652 -0.371 1.00 0.00 O ATOM 489 CB PHE A 35 -16.893 0.280 0.879 1.00 0.00 C ATOM 490 CG PHE A 35 -16.927 0.868 2.271 1.00 0.00 C ATOM 491 CD1 PHE A 35 -17.484 0.192 3.378 1.00 0.00 C ATOM 492 CD2 PHE A 35 -16.287 2.098 2.498 1.00 0.00 C ATOM 493 CE1 PHE A 35 -17.453 0.762 4.657 1.00 0.00 C ATOM 494 CE2 PHE A 35 -16.246 2.666 3.778 1.00 0.00 C ATOM 495 CZ PHE A 35 -16.840 2.003 4.856 1.00 0.00 C ATOM 0 H PHE A 35 -16.627 -1.970 0.065 1.00 0.00 H new ATOM 0 HA PHE A 35 -18.777 -0.692 1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -15.983 -0.311 0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -16.829 1.095 0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -17.940 -0.777 3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -15.819 2.614 1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -17.903 0.243 5.490 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -15.756 3.616 3.932 1.00 0.00 H new ATOM 0 HZ PHE A 35 -16.825 2.448 5.840 1.00 0.00 H new ATOM 505 N LEU A 36 -18.485 -0.216 -1.895 1.00 0.00 N ATOM 506 CA LEU A 36 -19.228 0.244 -3.053 1.00 0.00 C ATOM 507 C LEU A 36 -20.441 -0.627 -3.332 1.00 0.00 C ATOM 508 O LEU A 36 -21.323 -0.232 -4.086 1.00 0.00 O ATOM 509 CB LEU A 36 -18.383 0.400 -4.343 1.00 0.00 C ATOM 510 CG LEU A 36 -18.727 1.659 -5.202 1.00 0.00 C ATOM 511 CD1 LEU A 36 -17.585 1.962 -6.185 1.00 0.00 C ATOM 512 CD2 LEU A 36 -20.071 1.652 -5.961 1.00 0.00 C ATOM 0 H LEU A 36 -17.625 -0.713 -2.126 1.00 0.00 H new ATOM 0 HA LEU A 36 -19.556 1.246 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -17.329 0.442 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -18.516 -0.490 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.846 2.445 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.838 2.842 -6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.667 2.151 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.439 1.109 -6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -20.181 2.584 -6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.092 0.812 -6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.890 1.554 -5.249 1.00 0.00 H new ATOM 524 N GLU A 37 -20.563 -1.838 -2.726 1.00 0.00 N ATOM 525 CA GLU A 37 -21.742 -2.668 -2.924 1.00 0.00 C ATOM 526 C GLU A 37 -22.947 -2.018 -2.308 1.00 0.00 C ATOM 527 O GLU A 37 -24.020 -2.039 -2.903 1.00 0.00 O ATOM 528 CB GLU A 37 -21.649 -4.106 -2.363 1.00 0.00 C ATOM 529 CG GLU A 37 -20.579 -4.986 -3.033 1.00 0.00 C ATOM 530 CD GLU A 37 -20.873 -5.155 -4.523 1.00 0.00 C ATOM 531 OE1 GLU A 37 -21.943 -5.735 -4.854 1.00 0.00 O ATOM 532 OE2 GLU A 37 -20.032 -4.709 -5.348 1.00 0.00 O ATOM 0 H GLU A 37 -19.860 -2.242 -2.107 1.00 0.00 H new ATOM 0 HA GLU A 37 -21.823 -2.755 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -21.440 -4.052 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -22.620 -4.589 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -19.595 -4.535 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -20.550 -5.963 -2.550 1.00 0.00 H new ATOM 539 N GLY A 38 -22.780 -1.374 -1.129 1.00 0.00 N ATOM 540 CA GLY A 38 -23.831 -0.628 -0.482 1.00 0.00 C ATOM 541 C GLY A 38 -24.105 0.657 -1.214 1.00 0.00 C ATOM 542 O GLY A 38 -25.254 1.079 -1.317 1.00 0.00 O ATOM 0 H GLY A 38 -21.899 -1.371 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -24.739 -1.230 -0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.548 -0.411 0.548 1.00 0.00 H new ATOM 546 N ALA A 39 -23.042 1.301 -1.758 1.00 0.00 N ATOM 547 CA ALA A 39 -23.097 2.572 -2.434 1.00 0.00 C ATOM 548 C ALA A 39 -23.781 2.520 -3.773 1.00 0.00 C ATOM 549 O ALA A 39 -24.192 3.552 -4.302 1.00 0.00 O ATOM 550 CB ALA A 39 -21.695 3.160 -2.651 1.00 0.00 C ATOM 0 H ALA A 39 -22.099 0.914 -1.723 1.00 0.00 H new ATOM 0 HA ALA A 39 -23.685 3.204 -1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -21.778 4.118 -3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -21.208 3.305 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -21.103 2.474 -3.257 1.00 0.00 H new ATOM 556 N ALA A 40 -23.910 1.302 -4.344 1.00 0.00 N ATOM 557 CA ALA A 40 -24.434 1.043 -5.657 1.00 0.00 C ATOM 558 C ALA A 40 -25.922 1.269 -5.709 1.00 0.00 C ATOM 559 O ALA A 40 -26.408 2.024 -6.549 1.00 0.00 O ATOM 560 CB ALA A 40 -24.150 -0.402 -6.112 1.00 0.00 C ATOM 0 H ALA A 40 -23.632 0.448 -3.860 1.00 0.00 H new ATOM 0 HA ALA A 40 -23.930 1.740 -6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -24.562 -0.557 -7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -23.074 -0.572 -6.134 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -24.613 -1.101 -5.415 1.00 0.00 H new ATOM 566 N ARG A 41 -26.675 0.609 -4.792 1.00 0.00 N ATOM 567 CA ARG A 41 -28.124 0.651 -4.756 1.00 0.00 C ATOM 568 C ARG A 41 -28.616 1.916 -4.097 1.00 0.00 C ATOM 569 O ARG A 41 -29.729 2.368 -4.366 1.00 0.00 O ATOM 570 CB ARG A 41 -28.771 -0.575 -4.055 1.00 0.00 C ATOM 571 CG ARG A 41 -28.226 -0.924 -2.659 1.00 0.00 C ATOM 572 CD ARG A 41 -27.162 -2.028 -2.679 1.00 0.00 C ATOM 573 NE ARG A 41 -27.806 -3.336 -3.033 1.00 0.00 N ATOM 574 CZ ARG A 41 -27.114 -4.516 -3.075 1.00 0.00 C ATOM 575 NH1 ARG A 41 -25.784 -4.567 -2.777 1.00 0.00 N ATOM 576 NH2 ARG A 41 -27.769 -5.664 -3.418 1.00 0.00 N ATOM 0 H ARG A 41 -26.269 0.031 -4.056 1.00 0.00 H new ATOM 0 HA ARG A 41 -28.435 0.627 -5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -29.843 -0.395 -3.969 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -28.644 -1.445 -4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -27.800 -0.027 -2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -29.053 -1.238 -2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -26.384 -1.785 -3.403 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -26.679 -2.100 -1.705 1.00 0.00 H new ATOM 0 HE ARG A 41 -28.802 -3.346 -3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -25.287 -3.715 -2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -25.287 -5.457 -2.814 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -28.764 -5.637 -3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -27.263 -6.549 -3.452 1.00 0.00 H new ATOM 590 N GLN A 42 -27.770 2.537 -3.243 1.00 0.00 N ATOM 591 CA GLN A 42 -28.009 3.820 -2.623 1.00 0.00 C ATOM 592 C GLN A 42 -27.616 4.879 -3.635 1.00 0.00 C ATOM 593 O GLN A 42 -26.986 4.522 -4.630 1.00 0.00 O ATOM 594 CB GLN A 42 -27.156 3.954 -1.338 1.00 0.00 C ATOM 595 CG GLN A 42 -27.844 3.519 -0.026 1.00 0.00 C ATOM 596 CD GLN A 42 -28.299 2.052 -0.020 1.00 0.00 C ATOM 597 OE1 GLN A 42 -27.548 1.163 0.394 1.00 0.00 O ATOM 598 NE2 GLN A 42 -29.574 1.809 -0.458 1.00 0.00 N ATOM 0 H GLN A 42 -26.877 2.127 -2.970 1.00 0.00 H new ATOM 0 HA GLN A 42 -29.055 3.931 -2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -26.249 3.363 -1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -26.847 4.994 -1.236 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -27.156 3.679 0.804 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -28.709 4.159 0.149 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -30.154 2.579 -0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -29.943 0.858 -0.452 1.00 0.00 H new ATOM 607 N PRO A 43 -27.937 6.173 -3.489 1.00 0.00 N ATOM 608 CA PRO A 43 -27.443 7.203 -4.388 1.00 0.00 C ATOM 609 C PRO A 43 -25.983 7.387 -4.125 1.00 0.00 C ATOM 610 O PRO A 43 -25.544 7.078 -3.023 1.00 0.00 O ATOM 611 CB PRO A 43 -28.247 8.456 -4.020 1.00 0.00 C ATOM 612 CG PRO A 43 -28.611 8.265 -2.545 1.00 0.00 C ATOM 613 CD PRO A 43 -28.742 6.744 -2.400 1.00 0.00 C ATOM 0 HA PRO A 43 -27.558 6.966 -5.446 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -27.659 9.362 -4.169 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -29.139 8.550 -4.639 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -27.840 8.666 -1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -29.542 8.773 -2.293 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -28.379 6.410 -1.428 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -29.783 6.431 -2.476 1.00 0.00 H new ATOM 621 N ASP A 44 -25.211 7.843 -5.134 1.00 0.00 N ATOM 622 CA ASP A 44 -23.790 8.064 -5.006 1.00 0.00 C ATOM 623 C ASP A 44 -23.530 9.457 -4.480 1.00 0.00 C ATOM 624 O ASP A 44 -22.626 10.156 -4.936 1.00 0.00 O ATOM 625 CB ASP A 44 -23.011 7.769 -6.324 1.00 0.00 C ATOM 626 CG ASP A 44 -23.465 8.617 -7.523 1.00 0.00 C ATOM 627 OD1 ASP A 44 -24.612 8.416 -8.002 1.00 0.00 O ATOM 628 OD2 ASP A 44 -22.656 9.467 -7.982 1.00 0.00 O ATOM 0 H ASP A 44 -25.577 8.064 -6.060 1.00 0.00 H new ATOM 0 HA ASP A 44 -23.403 7.348 -4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -21.949 7.941 -6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -23.127 6.714 -6.574 1.00 0.00 H new ATOM 633 N LEU A 45 -24.325 9.875 -3.472 1.00 0.00 N ATOM 634 CA LEU A 45 -24.155 11.124 -2.774 1.00 0.00 C ATOM 635 C LEU A 45 -23.311 10.883 -1.558 1.00 0.00 C ATOM 636 O LEU A 45 -22.114 11.163 -1.553 1.00 0.00 O ATOM 637 CB LEU A 45 -25.513 11.773 -2.414 1.00 0.00 C ATOM 638 CG LEU A 45 -25.438 13.158 -1.721 1.00 0.00 C ATOM 639 CD1 LEU A 45 -24.774 14.234 -2.602 1.00 0.00 C ATOM 640 CD2 LEU A 45 -26.837 13.610 -1.257 1.00 0.00 C ATOM 0 H LEU A 45 -25.114 9.327 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.649 11.835 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.098 11.877 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -26.058 11.091 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 45 -24.798 13.038 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.750 15.181 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.756 13.929 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -25.345 14.354 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -26.763 14.584 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -27.500 13.682 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -27.238 12.884 -0.550 1.00 0.00 H new ATOM 652 N ILE A 46 -23.945 10.351 -0.497 1.00 0.00 N ATOM 653 CA ILE A 46 -23.362 10.107 0.795 1.00 0.00 C ATOM 654 C ILE A 46 -22.470 8.896 0.770 1.00 0.00 C ATOM 655 O ILE A 46 -21.331 9.062 1.201 1.00 0.00 O ATOM 656 CB ILE A 46 -24.446 9.975 1.856 1.00 0.00 C ATOM 657 CG1 ILE A 46 -25.283 11.281 1.927 1.00 0.00 C ATOM 658 CG2 ILE A 46 -23.841 9.597 3.230 1.00 0.00 C ATOM 659 CD1 ILE A 46 -26.483 11.208 2.877 1.00 0.00 C ATOM 0 H ILE A 46 -24.925 10.073 -0.540 1.00 0.00 H new ATOM 0 HA ILE A 46 -22.740 10.964 1.054 1.00 0.00 H new ATOM 0 HB ILE A 46 -25.116 9.162 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -24.634 12.098 2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -25.640 11.525 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -24.639 9.510 3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -23.318 8.644 3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -23.140 10.370 3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -27.013 12.160 2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -27.156 10.415 2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -26.134 10.997 3.888 1.00 0.00 H new ATOM 671 N PRO A 47 -22.829 7.681 0.340 1.00 0.00 N ATOM 672 CA PRO A 47 -21.964 6.541 0.510 1.00 0.00 C ATOM 673 C PRO A 47 -20.920 6.490 -0.577 1.00 0.00 C ATOM 674 O PRO A 47 -20.149 5.538 -0.579 1.00 0.00 O ATOM 675 CB PRO A 47 -22.900 5.344 0.377 1.00 0.00 C ATOM 676 CG PRO A 47 -23.895 5.826 -0.667 1.00 0.00 C ATOM 677 CD PRO A 47 -24.099 7.286 -0.268 1.00 0.00 C ATOM 0 HA PRO A 47 -21.429 6.569 1.459 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -22.371 4.448 0.052 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -23.387 5.101 1.322 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -23.501 5.732 -1.679 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -24.826 5.261 -0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -24.334 7.905 -1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -24.926 7.394 0.434 1.00 0.00 H new ATOM 685 N LEU A 48 -20.853 7.491 -1.492 1.00 0.00 N ATOM 686 CA LEU A 48 -19.764 7.616 -2.430 1.00 0.00 C ATOM 687 C LEU A 48 -18.594 8.206 -1.695 1.00 0.00 C ATOM 688 O LEU A 48 -17.446 7.937 -2.036 1.00 0.00 O ATOM 689 CB LEU A 48 -20.110 8.544 -3.617 1.00 0.00 C ATOM 690 CG LEU A 48 -19.014 8.701 -4.704 1.00 0.00 C ATOM 691 CD1 LEU A 48 -18.660 7.363 -5.386 1.00 0.00 C ATOM 692 CD2 LEU A 48 -19.409 9.764 -5.748 1.00 0.00 C ATOM 0 H LEU A 48 -21.561 8.220 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 48 -19.546 6.628 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -21.015 8.167 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -20.346 9.532 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 48 -18.115 9.043 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.889 7.531 -6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.292 6.660 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.549 6.952 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.621 9.850 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -20.339 9.469 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -19.547 10.726 -5.254 1.00 0.00 H new ATOM 704 N LEU A 49 -18.877 9.015 -0.644 1.00 0.00 N ATOM 705 CA LEU A 49 -17.884 9.697 0.141 1.00 0.00 C ATOM 706 C LEU A 49 -17.155 8.735 1.038 1.00 0.00 C ATOM 707 O LEU A 49 -15.951 8.862 1.242 1.00 0.00 O ATOM 708 CB LEU A 49 -18.439 10.940 0.866 1.00 0.00 C ATOM 709 CG LEU A 49 -18.687 10.908 2.391 1.00 0.00 C ATOM 710 CD1 LEU A 49 -17.427 11.070 3.269 1.00 0.00 C ATOM 711 CD2 LEU A 49 -19.654 12.053 2.698 1.00 0.00 C ATOM 0 H LEU A 49 -19.831 9.199 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 49 -17.139 10.102 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -17.752 11.762 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -19.386 11.195 0.390 1.00 0.00 H new ATOM 0 HG LEU A 49 -19.076 9.920 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.710 11.034 4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.727 10.263 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -16.954 12.028 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -19.864 12.075 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -19.205 12.999 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -20.583 11.901 2.149 1.00 0.00 H new ATOM 723 N ARG A 50 -17.860 7.722 1.594 1.00 0.00 N ATOM 724 CA ARG A 50 -17.201 6.691 2.377 1.00 0.00 C ATOM 725 C ARG A 50 -16.393 5.748 1.515 1.00 0.00 C ATOM 726 O ARG A 50 -15.345 5.268 1.941 1.00 0.00 O ATOM 727 CB ARG A 50 -18.136 5.950 3.367 1.00 0.00 C ATOM 728 CG ARG A 50 -19.353 5.243 2.754 1.00 0.00 C ATOM 729 CD ARG A 50 -19.138 3.770 2.383 1.00 0.00 C ATOM 730 NE ARG A 50 -20.384 3.256 1.721 1.00 0.00 N ATOM 731 CZ ARG A 50 -21.156 2.240 2.218 1.00 0.00 C ATOM 732 NH1 ARG A 50 -20.789 1.538 3.327 1.00 0.00 N ATOM 733 NH2 ARG A 50 -22.325 1.926 1.584 1.00 0.00 N ATOM 0 H ARG A 50 -18.870 7.611 1.508 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.494 7.222 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -17.545 5.209 3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -18.494 6.670 4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -20.182 5.306 3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.655 5.786 1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -18.284 3.669 1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -18.914 3.184 3.274 1.00 0.00 H new ATOM 0 HE ARG A 50 -20.674 3.691 0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -19.919 1.765 3.809 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -21.384 0.786 3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -22.611 2.446 0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -22.912 1.172 1.941 1.00 0.00 H new ATOM 747 N THR A 51 -16.847 5.488 0.265 1.00 0.00 N ATOM 748 CA THR A 51 -16.148 4.684 -0.719 1.00 0.00 C ATOM 749 C THR A 51 -14.816 5.279 -1.124 1.00 0.00 C ATOM 750 O THR A 51 -13.826 4.552 -1.219 1.00 0.00 O ATOM 751 CB THR A 51 -17.007 4.484 -1.948 1.00 0.00 C ATOM 752 OG1 THR A 51 -18.203 3.806 -1.590 1.00 0.00 O ATOM 753 CG2 THR A 51 -16.307 3.639 -3.030 1.00 0.00 C ATOM 0 H THR A 51 -17.736 5.851 -0.078 1.00 0.00 H new ATOM 0 HA THR A 51 -15.947 3.723 -0.246 1.00 0.00 H new ATOM 0 HB THR A 51 -17.207 5.477 -2.351 1.00 0.00 H new ATOM 0 HG1 THR A 51 -18.858 4.453 -1.255 1.00 0.00 H new ATOM 0 HG21 THR A 51 -16.969 3.527 -3.889 1.00 0.00 H new ATOM 0 HG22 THR A 51 -15.388 4.136 -3.342 1.00 0.00 H new ATOM 0 HG23 THR A 51 -16.068 2.655 -2.626 1.00 0.00 H new ATOM 761 N GLN A 52 -14.760 6.620 -1.362 1.00 0.00 N ATOM 762 CA GLN A 52 -13.544 7.337 -1.729 1.00 0.00 C ATOM 763 C GLN A 52 -12.574 7.267 -0.632 1.00 0.00 C ATOM 764 O GLN A 52 -11.455 6.844 -0.859 1.00 0.00 O ATOM 765 CB GLN A 52 -13.718 8.802 -2.191 1.00 0.00 C ATOM 766 CG GLN A 52 -14.590 9.733 -1.339 1.00 0.00 C ATOM 767 CD GLN A 52 -14.527 11.168 -1.877 1.00 0.00 C ATOM 768 OE1 GLN A 52 -15.487 11.650 -2.489 1.00 0.00 O ATOM 769 NE2 GLN A 52 -13.369 11.851 -1.629 1.00 0.00 N ATOM 0 H GLN A 52 -15.579 7.224 -1.299 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.183 6.819 -2.618 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.726 9.248 -2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -14.134 8.786 -3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -15.622 9.381 -1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -14.251 9.711 -0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.610 11.400 -1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -13.264 12.812 -1.955 1.00 0.00 H new ATOM 778 N PHE A 53 -13.017 7.573 0.593 1.00 0.00 N ATOM 779 CA PHE A 53 -12.248 7.500 1.817 1.00 0.00 C ATOM 780 C PHE A 53 -11.542 6.178 1.970 1.00 0.00 C ATOM 781 O PHE A 53 -10.466 6.143 2.557 1.00 0.00 O ATOM 782 CB PHE A 53 -13.163 7.765 3.048 1.00 0.00 C ATOM 783 CG PHE A 53 -12.400 7.853 4.347 1.00 0.00 C ATOM 784 CD1 PHE A 53 -11.507 8.913 4.581 1.00 0.00 C ATOM 785 CD2 PHE A 53 -12.549 6.857 5.329 1.00 0.00 C ATOM 786 CE1 PHE A 53 -10.773 8.975 5.773 1.00 0.00 C ATOM 787 CE2 PHE A 53 -11.815 6.915 6.520 1.00 0.00 C ATOM 788 CZ PHE A 53 -10.927 7.975 6.742 1.00 0.00 C ATOM 0 H PHE A 53 -13.972 7.893 0.753 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.482 8.273 1.762 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -13.711 8.694 2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.902 6.968 3.122 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -11.386 9.686 3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -13.236 6.040 5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.089 9.793 5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.933 6.143 7.266 1.00 0.00 H new ATOM 0 HZ PHE A 53 -10.361 8.022 7.660 1.00 0.00 H new ATOM 798 N PHE A 54 -12.137 5.076 1.452 1.00 0.00 N ATOM 799 CA PHE A 54 -11.499 3.776 1.391 1.00 0.00 C ATOM 800 C PHE A 54 -10.469 3.464 0.343 1.00 0.00 C ATOM 801 O PHE A 54 -9.540 2.712 0.638 1.00 0.00 O ATOM 802 CB PHE A 54 -12.471 2.576 1.546 1.00 0.00 C ATOM 803 CG PHE A 54 -12.782 2.221 2.985 1.00 0.00 C ATOM 804 CD1 PHE A 54 -12.547 3.064 4.096 1.00 0.00 C ATOM 805 CD2 PHE A 54 -13.365 0.964 3.218 1.00 0.00 C ATOM 806 CE1 PHE A 54 -12.886 2.652 5.391 1.00 0.00 C ATOM 807 CE2 PHE A 54 -13.730 0.565 4.506 1.00 0.00 C ATOM 808 CZ PHE A 54 -13.481 1.403 5.597 1.00 0.00 C ATOM 0 H PHE A 54 -13.081 5.084 1.066 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.888 3.911 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.403 2.806 1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.040 1.705 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.101 4.036 3.944 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.534 0.295 2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.688 3.300 6.232 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.205 -0.393 4.659 1.00 0.00 H new ATOM 0 HZ PHE A 54 -13.747 1.087 6.595 1.00 0.00 H new ATOM 818 N ILE A 55 -10.562 3.986 -0.900 1.00 0.00 N ATOM 819 CA ILE A 55 -9.522 3.735 -1.886 1.00 0.00 C ATOM 820 C ILE A 55 -8.323 4.607 -1.578 1.00 0.00 C ATOM 821 O ILE A 55 -7.196 4.296 -1.951 1.00 0.00 O ATOM 822 CB ILE A 55 -9.980 3.889 -3.333 1.00 0.00 C ATOM 823 CG1 ILE A 55 -10.519 5.300 -3.665 1.00 0.00 C ATOM 824 CG2 ILE A 55 -11.027 2.783 -3.600 1.00 0.00 C ATOM 825 CD1 ILE A 55 -10.902 5.493 -5.137 1.00 0.00 C ATOM 0 H ILE A 55 -11.333 4.569 -1.226 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.246 2.684 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.123 3.775 -3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -11.393 5.499 -3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.763 6.038 -3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.382 2.858 -4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.571 1.805 -3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.867 2.905 -2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.270 6.508 -5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.027 5.328 -5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.682 4.780 -5.407 1.00 0.00 H new ATOM 837 N VAL A 56 -8.602 5.717 -0.867 1.00 0.00 N ATOM 838 CA VAL A 56 -7.753 6.726 -0.290 1.00 0.00 C ATOM 839 C VAL A 56 -7.063 6.242 0.946 1.00 0.00 C ATOM 840 O VAL A 56 -5.881 6.514 1.136 1.00 0.00 O ATOM 841 CB VAL A 56 -8.647 7.908 0.000 1.00 0.00 C ATOM 842 CG1 VAL A 56 -8.008 9.048 0.790 1.00 0.00 C ATOM 843 CG2 VAL A 56 -9.170 8.443 -1.339 1.00 0.00 C ATOM 0 H VAL A 56 -9.578 5.938 -0.668 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.951 6.995 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.440 7.538 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.740 9.842 0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.672 8.676 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.155 9.441 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.820 9.299 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.329 8.750 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.733 7.661 -1.849 1.00 0.00 H new ATOM 853 N MET A 57 -7.785 5.480 1.805 1.00 0.00 N ATOM 854 CA MET A 57 -7.229 4.679 2.885 1.00 0.00 C ATOM 855 C MET A 57 -6.187 3.725 2.356 1.00 0.00 C ATOM 856 O MET A 57 -5.216 3.401 3.036 1.00 0.00 O ATOM 857 CB MET A 57 -8.320 3.856 3.624 1.00 0.00 C ATOM 858 CG MET A 57 -7.816 2.730 4.548 1.00 0.00 C ATOM 859 SD MET A 57 -9.119 2.015 5.596 1.00 0.00 S ATOM 860 CE MET A 57 -8.045 0.770 6.367 1.00 0.00 C ATOM 0 H MET A 57 -8.801 5.415 1.749 1.00 0.00 H new ATOM 0 HA MET A 57 -6.779 5.378 3.590 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.923 4.543 4.219 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.981 3.416 2.877 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.376 1.940 3.939 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.022 3.121 5.185 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.624 0.179 7.076 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.636 0.115 5.597 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.229 1.268 6.891 1.00 0.00 H new ATOM 870 N GLY A 58 -6.379 3.277 1.102 1.00 0.00 N ATOM 871 CA GLY A 58 -5.537 2.328 0.451 1.00 0.00 C ATOM 872 C GLY A 58 -4.395 2.937 -0.291 1.00 0.00 C ATOM 873 O GLY A 58 -3.388 2.280 -0.555 1.00 0.00 O ATOM 0 H GLY A 58 -7.155 3.591 0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.145 1.635 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.138 1.742 -0.245 1.00 0.00 H new ATOM 877 N LEU A 59 -4.546 4.223 -0.655 1.00 0.00 N ATOM 878 CA LEU A 59 -3.607 4.990 -1.423 1.00 0.00 C ATOM 879 C LEU A 59 -2.523 5.451 -0.490 1.00 0.00 C ATOM 880 O LEU A 59 -1.348 5.420 -0.842 1.00 0.00 O ATOM 881 CB LEU A 59 -4.343 6.182 -2.074 1.00 0.00 C ATOM 882 CG LEU A 59 -3.496 7.259 -2.780 1.00 0.00 C ATOM 883 CD1 LEU A 59 -2.541 6.689 -3.848 1.00 0.00 C ATOM 884 CD2 LEU A 59 -4.405 8.351 -3.381 1.00 0.00 C ATOM 0 H LEU A 59 -5.373 4.762 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.162 4.398 -2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.048 5.781 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.931 6.675 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.859 7.701 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.977 7.503 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.851 5.986 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.119 6.174 -4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.791 9.104 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.083 7.901 -4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.984 8.821 -2.586 1.00 0.00 H new ATOM 896 N VAL A 60 -2.923 5.864 0.735 1.00 0.00 N ATOM 897 CA VAL A 60 -2.080 6.343 1.808 1.00 0.00 C ATOM 898 C VAL A 60 -1.379 5.210 2.501 1.00 0.00 C ATOM 899 O VAL A 60 -0.388 5.396 3.200 1.00 0.00 O ATOM 900 CB VAL A 60 -2.881 7.171 2.796 1.00 0.00 C ATOM 901 CG1 VAL A 60 -3.754 6.338 3.757 1.00 0.00 C ATOM 902 CG2 VAL A 60 -1.934 8.121 3.543 1.00 0.00 C ATOM 0 H VAL A 60 -3.909 5.864 0.997 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.316 6.984 1.368 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.603 7.754 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.293 7.005 4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.468 5.748 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.119 5.671 4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.504 8.718 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.183 7.540 4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.442 8.780 2.828 1.00 0.00 H new ATOM 912 N ASP A 61 -1.919 3.994 2.312 1.00 0.00 N ATOM 913 CA ASP A 61 -1.337 2.749 2.780 1.00 0.00 C ATOM 914 C ASP A 61 -0.109 2.412 1.969 1.00 0.00 C ATOM 915 O ASP A 61 0.893 1.950 2.515 1.00 0.00 O ATOM 916 CB ASP A 61 -2.311 1.541 2.692 1.00 0.00 C ATOM 917 CG ASP A 61 -2.006 0.478 3.756 1.00 0.00 C ATOM 918 OD1 ASP A 61 -0.904 -0.130 3.704 1.00 0.00 O ATOM 919 OD2 ASP A 61 -2.884 0.258 4.634 1.00 0.00 O ATOM 0 H ASP A 61 -2.798 3.859 1.813 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.092 2.913 3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.336 1.892 2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.243 1.092 1.701 1.00 0.00 H new ATOM 924 N ALA A 62 -0.189 2.621 0.634 1.00 0.00 N ATOM 925 CA ALA A 62 0.849 2.245 -0.299 1.00 0.00 C ATOM 926 C ALA A 62 1.897 3.301 -0.439 1.00 0.00 C ATOM 927 O ALA A 62 3.057 2.966 -0.645 1.00 0.00 O ATOM 928 CB ALA A 62 0.280 1.936 -1.696 1.00 0.00 C ATOM 0 H ALA A 62 -0.994 3.062 0.189 1.00 0.00 H new ATOM 0 HA ALA A 62 1.302 1.346 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.093 1.658 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.430 1.112 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.226 2.819 -2.086 1.00 0.00 H new ATOM 934 N ILE A 63 1.522 4.593 -0.310 1.00 0.00 N ATOM 935 CA ILE A 63 2.373 5.759 -0.392 1.00 0.00 C ATOM 936 C ILE A 63 3.642 5.760 0.420 1.00 0.00 C ATOM 937 O ILE A 63 4.668 6.093 -0.170 1.00 0.00 O ATOM 938 CB ILE A 63 1.532 7.018 -0.180 1.00 0.00 C ATOM 939 CG1 ILE A 63 1.502 7.861 -1.474 1.00 0.00 C ATOM 940 CG2 ILE A 63 1.850 7.893 1.054 1.00 0.00 C ATOM 941 CD1 ILE A 63 2.856 8.502 -1.810 1.00 0.00 C ATOM 0 H ILE A 63 0.549 4.845 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 63 2.781 5.735 -1.403 1.00 0.00 H new ATOM 0 HB ILE A 63 0.542 6.630 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.191 7.228 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.752 8.645 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.176 8.750 1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.718 7.304 1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.881 8.243 0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.767 9.080 -2.730 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.159 9.160 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.605 7.721 -1.943 1.00 0.00 H new ATOM 953 N PRO A 64 3.708 5.439 1.715 1.00 0.00 N ATOM 954 CA PRO A 64 4.896 5.646 2.499 1.00 0.00 C ATOM 955 C PRO A 64 5.778 4.449 2.300 1.00 0.00 C ATOM 956 O PRO A 64 6.841 4.397 2.907 1.00 0.00 O ATOM 957 CB PRO A 64 4.360 5.673 3.936 1.00 0.00 C ATOM 958 CG PRO A 64 3.195 4.673 3.923 1.00 0.00 C ATOM 959 CD PRO A 64 2.662 4.775 2.491 1.00 0.00 C ATOM 0 HA PRO A 64 5.465 6.541 2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.127 5.381 4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.025 6.671 4.217 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.529 3.662 4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.432 4.934 4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.444 3.787 2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.733 5.345 2.461 1.00 0.00 H new ATOM 967 N MET A 65 5.338 3.471 1.481 1.00 0.00 N ATOM 968 CA MET A 65 6.027 2.254 1.231 1.00 0.00 C ATOM 969 C MET A 65 6.858 2.435 0.001 1.00 0.00 C ATOM 970 O MET A 65 7.988 1.956 -0.026 1.00 0.00 O ATOM 971 CB MET A 65 5.006 1.117 1.083 1.00 0.00 C ATOM 972 CG MET A 65 4.975 0.182 2.294 1.00 0.00 C ATOM 973 SD MET A 65 4.408 0.941 3.851 1.00 0.00 S ATOM 974 CE MET A 65 6.015 0.968 4.701 1.00 0.00 C ATOM 0 H MET A 65 4.457 3.541 0.972 1.00 0.00 H new ATOM 0 HA MET A 65 6.688 1.990 2.057 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.014 1.544 0.934 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.241 0.538 0.190 1.00 0.00 H new ATOM 0 HG2 MET A 65 4.326 -0.663 2.063 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.977 -0.219 2.448 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.858 1.093 5.772 1.00 0.00 H new ATOM 0 HE2 MET A 65 6.539 0.030 4.518 1.00 0.00 H new ATOM 0 HE3 MET A 65 6.613 1.797 4.322 1.00 0.00 H new ATOM 984 N ILE A 66 6.340 3.140 -1.043 1.00 0.00 N ATOM 985 CA ILE A 66 7.104 3.400 -2.249 1.00 0.00 C ATOM 986 C ILE A 66 7.997 4.569 -2.004 1.00 0.00 C ATOM 987 O ILE A 66 9.071 4.613 -2.579 1.00 0.00 O ATOM 988 CB ILE A 66 6.327 3.720 -3.528 1.00 0.00 C ATOM 989 CG1 ILE A 66 4.992 2.969 -3.628 1.00 0.00 C ATOM 990 CG2 ILE A 66 7.202 3.453 -4.776 1.00 0.00 C ATOM 991 CD1 ILE A 66 3.889 3.958 -3.282 1.00 0.00 C ATOM 0 H ILE A 66 5.397 3.528 -1.053 1.00 0.00 H new ATOM 0 HA ILE A 66 7.611 2.453 -2.435 1.00 0.00 H new ATOM 0 HB ILE A 66 6.079 4.781 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.850 2.571 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.976 2.121 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.633 3.686 -5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.092 4.080 -4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.498 2.404 -4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.921 3.460 -3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.041 4.334 -2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.913 4.790 -3.985 1.00 0.00 H new ATOM 1003 N ALA A 67 7.578 5.541 -1.156 1.00 0.00 N ATOM 1004 CA ALA A 67 8.353 6.728 -0.864 1.00 0.00 C ATOM 1005 C ALA A 67 9.492 6.421 0.072 1.00 0.00 C ATOM 1006 O ALA A 67 10.521 7.092 0.028 1.00 0.00 O ATOM 1007 CB ALA A 67 7.493 7.829 -0.218 1.00 0.00 C ATOM 0 H ALA A 67 6.686 5.504 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 67 8.738 7.080 -1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.113 8.702 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.687 8.106 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.070 7.459 0.716 1.00 0.00 H new ATOM 1013 N VAL A 68 9.346 5.368 0.917 1.00 0.00 N ATOM 1014 CA VAL A 68 10.427 4.855 1.733 1.00 0.00 C ATOM 1015 C VAL A 68 11.202 3.896 0.883 1.00 0.00 C ATOM 1016 O VAL A 68 12.400 3.748 1.089 1.00 0.00 O ATOM 1017 CB VAL A 68 9.959 4.214 3.035 1.00 0.00 C ATOM 1018 CG1 VAL A 68 11.033 3.338 3.723 1.00 0.00 C ATOM 1019 CG2 VAL A 68 9.519 5.358 3.975 1.00 0.00 C ATOM 0 H VAL A 68 8.467 4.865 1.037 1.00 0.00 H new ATOM 0 HA VAL A 68 11.056 5.684 2.058 1.00 0.00 H new ATOM 0 HB VAL A 68 9.139 3.533 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.625 2.917 4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.327 2.530 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.904 3.949 3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.176 4.940 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.362 6.024 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.708 5.919 3.511 1.00 0.00 H new ATOM 1029 N GLY A 69 10.573 3.265 -0.141 1.00 0.00 N ATOM 1030 CA GLY A 69 11.288 2.371 -1.024 1.00 0.00 C ATOM 1031 C GLY A 69 12.135 3.135 -1.998 1.00 0.00 C ATOM 1032 O GLY A 69 13.061 2.576 -2.574 1.00 0.00 O ATOM 0 H GLY A 69 9.582 3.371 -0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.917 1.702 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.578 1.747 -1.567 1.00 0.00 H new ATOM 1036 N LEU A 70 11.821 4.438 -2.169 1.00 0.00 N ATOM 1037 CA LEU A 70 12.497 5.425 -2.966 1.00 0.00 C ATOM 1038 C LEU A 70 13.666 5.956 -2.203 1.00 0.00 C ATOM 1039 O LEU A 70 14.710 6.242 -2.775 1.00 0.00 O ATOM 1040 CB LEU A 70 11.551 6.603 -3.303 1.00 0.00 C ATOM 1041 CG LEU A 70 11.561 6.980 -4.795 1.00 0.00 C ATOM 1042 CD1 LEU A 70 10.387 7.916 -5.139 1.00 0.00 C ATOM 1043 CD2 LEU A 70 12.903 7.554 -5.284 1.00 0.00 C ATOM 0 H LEU A 70 11.009 4.839 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 70 12.824 4.955 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.535 6.341 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.840 7.473 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 70 11.430 6.045 -5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.419 8.166 -6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.445 7.417 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.465 8.829 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.831 7.795 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.139 8.457 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.691 6.816 -5.133 1.00 0.00 H new ATOM 1055 N GLY A 71 13.514 6.081 -0.868 1.00 0.00 N ATOM 1056 CA GLY A 71 14.553 6.538 0.025 1.00 0.00 C ATOM 1057 C GLY A 71 15.581 5.459 0.208 1.00 0.00 C ATOM 1058 O GLY A 71 16.754 5.740 0.437 1.00 0.00 O ATOM 0 H GLY A 71 12.641 5.858 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 71 15.023 7.435 -0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.123 6.810 0.989 1.00 0.00 H new ATOM 1062 N LEU A 72 15.135 4.188 0.082 1.00 0.00 N ATOM 1063 CA LEU A 72 15.943 2.997 0.137 1.00 0.00 C ATOM 1064 C LEU A 72 16.646 2.791 -1.186 1.00 0.00 C ATOM 1065 O LEU A 72 17.738 2.225 -1.221 1.00 0.00 O ATOM 1066 CB LEU A 72 15.071 1.759 0.489 1.00 0.00 C ATOM 1067 CG LEU A 72 14.659 1.724 1.987 1.00 0.00 C ATOM 1068 CD1 LEU A 72 13.497 0.750 2.246 1.00 0.00 C ATOM 1069 CD2 LEU A 72 15.836 1.403 2.925 1.00 0.00 C ATOM 0 H LEU A 72 14.148 3.979 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 72 16.692 3.117 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 72 14.174 1.763 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 72 15.622 0.850 0.246 1.00 0.00 H new ATOM 0 HG LEU A 72 14.320 2.734 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 72 13.244 0.759 3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.629 1.056 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 72 13.794 -0.257 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 72 15.486 1.393 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 72 16.247 0.426 2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.609 2.163 2.812 1.00 0.00 H new ATOM 1081 N TYR A 73 16.038 3.260 -2.304 1.00 0.00 N ATOM 1082 CA TYR A 73 16.571 3.105 -3.642 1.00 0.00 C ATOM 1083 C TYR A 73 17.648 4.126 -3.939 1.00 0.00 C ATOM 1084 O TYR A 73 18.608 3.836 -4.649 1.00 0.00 O ATOM 1085 CB TYR A 73 15.473 3.226 -4.722 1.00 0.00 C ATOM 1086 CG TYR A 73 15.837 2.445 -5.951 1.00 0.00 C ATOM 1087 CD1 TYR A 73 15.677 1.048 -5.963 1.00 0.00 C ATOM 1088 CD2 TYR A 73 16.342 3.094 -7.089 1.00 0.00 C ATOM 1089 CE1 TYR A 73 15.993 0.316 -7.114 1.00 0.00 C ATOM 1090 CE2 TYR A 73 16.671 2.359 -8.234 1.00 0.00 C ATOM 1091 CZ TYR A 73 16.493 0.969 -8.250 1.00 0.00 C ATOM 1092 OH TYR A 73 16.814 0.233 -9.413 1.00 0.00 O ATOM 0 H TYR A 73 15.150 3.762 -2.279 1.00 0.00 H new ATOM 0 HA TYR A 73 16.999 2.103 -3.675 1.00 0.00 H new ATOM 0 HB2 TYR A 73 14.525 2.863 -4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 73 15.329 4.274 -4.983 1.00 0.00 H new ATOM 0 HD1 TYR A 73 15.310 0.539 -5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 73 16.477 4.165 -7.081 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.851 -0.755 -7.127 1.00 0.00 H new ATOM 0 HE2 TYR A 73 17.062 2.863 -9.105 1.00 0.00 H new ATOM 0 HH TYR A 73 17.023 -0.692 -9.167 1.00 0.00 H new ATOM 1102 N VAL A 74 17.490 5.359 -3.405 1.00 0.00 N ATOM 1103 CA VAL A 74 18.395 6.477 -3.590 1.00 0.00 C ATOM 1104 C VAL A 74 19.585 6.289 -2.689 1.00 0.00 C ATOM 1105 O VAL A 74 20.683 6.747 -2.993 1.00 0.00 O ATOM 1106 CB VAL A 74 17.703 7.803 -3.297 1.00 0.00 C ATOM 1107 CG1 VAL A 74 18.678 8.998 -3.185 1.00 0.00 C ATOM 1108 CG2 VAL A 74 16.686 8.065 -4.429 1.00 0.00 C ATOM 0 H VAL A 74 16.693 5.594 -2.814 1.00 0.00 H new ATOM 0 HA VAL A 74 18.720 6.506 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 74 17.217 7.720 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.116 9.908 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.386 8.815 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 74 19.220 9.114 -4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.174 9.010 -4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 74 17.209 8.115 -5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 74 15.956 7.256 -4.457 1.00 0.00 H new ATOM 1118 N MET A 75 19.402 5.563 -1.563 1.00 0.00 N ATOM 1119 CA MET A 75 20.465 5.267 -0.630 1.00 0.00 C ATOM 1120 C MET A 75 21.368 4.212 -1.226 1.00 0.00 C ATOM 1121 O MET A 75 22.569 4.174 -0.966 1.00 0.00 O ATOM 1122 CB MET A 75 19.916 4.791 0.731 1.00 0.00 C ATOM 1123 CG MET A 75 20.947 4.620 1.867 1.00 0.00 C ATOM 1124 SD MET A 75 21.666 6.172 2.502 1.00 0.00 S ATOM 1125 CE MET A 75 23.226 6.182 1.568 1.00 0.00 C ATOM 0 H MET A 75 18.499 5.172 -1.292 1.00 0.00 H new ATOM 0 HA MET A 75 21.029 6.182 -0.450 1.00 0.00 H new ATOM 0 HB2 MET A 75 19.159 5.502 1.061 1.00 0.00 H new ATOM 0 HB3 MET A 75 19.412 3.836 0.581 1.00 0.00 H new ATOM 0 HG2 MET A 75 20.469 4.094 2.694 1.00 0.00 H new ATOM 0 HG3 MET A 75 21.756 3.983 1.509 1.00 0.00 H new ATOM 0 HE1 MET A 75 23.918 6.891 2.023 1.00 0.00 H new ATOM 0 HE2 MET A 75 23.666 5.185 1.584 1.00 0.00 H new ATOM 0 HE3 MET A 75 23.031 6.476 0.537 1.00 0.00 H new ATOM 1135 N PHE A 76 20.784 3.351 -2.092 1.00 0.00 N ATOM 1136 CA PHE A 76 21.467 2.341 -2.864 1.00 0.00 C ATOM 1137 C PHE A 76 22.204 2.995 -4.018 1.00 0.00 C ATOM 1138 O PHE A 76 23.234 2.488 -4.462 1.00 0.00 O ATOM 1139 CB PHE A 76 20.446 1.260 -3.331 1.00 0.00 C ATOM 1140 CG PHE A 76 20.973 0.322 -4.383 1.00 0.00 C ATOM 1141 CD1 PHE A 76 21.788 -0.769 -4.043 1.00 0.00 C ATOM 1142 CD2 PHE A 76 20.704 0.584 -5.736 1.00 0.00 C ATOM 1143 CE1 PHE A 76 22.352 -1.570 -5.045 1.00 0.00 C ATOM 1144 CE2 PHE A 76 21.266 -0.214 -6.739 1.00 0.00 C ATOM 1145 CZ PHE A 76 22.095 -1.289 -6.393 1.00 0.00 C ATOM 0 H PHE A 76 19.779 3.359 -2.264 1.00 0.00 H new ATOM 0 HA PHE A 76 22.214 1.833 -2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 76 20.132 0.677 -2.466 1.00 0.00 H new ATOM 0 HB3 PHE A 76 19.558 1.759 -3.718 1.00 0.00 H new ATOM 0 HD1 PHE A 76 21.981 -0.992 -3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 76 20.059 1.407 -6.005 1.00 0.00 H new ATOM 0 HE1 PHE A 76 22.985 -2.404 -4.778 1.00 0.00 H new ATOM 0 HE2 PHE A 76 21.061 -0.001 -7.778 1.00 0.00 H new ATOM 0 HZ PHE A 76 22.536 -1.901 -7.166 1.00 0.00 H new ATOM 1155 N ALA A 77 21.698 4.144 -4.524 1.00 0.00 N ATOM 1156 CA ALA A 77 22.274 4.843 -5.648 1.00 0.00 C ATOM 1157 C ALA A 77 23.498 5.625 -5.238 1.00 0.00 C ATOM 1158 O ALA A 77 24.362 5.901 -6.069 1.00 0.00 O ATOM 1159 CB ALA A 77 21.276 5.825 -6.289 1.00 0.00 C ATOM 0 H ALA A 77 20.868 4.600 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 77 22.544 4.075 -6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 77 21.751 6.329 -7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 77 20.402 5.277 -6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 77 20.968 6.565 -5.550 1.00 0.00 H new