USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0268 (180deg=-0.271) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0737 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 61:sc= -5.29! USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 24 THR OG1 : rot -160:sc= -0.815 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0499 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 84:sc= 0.0159 USER MOD Single : A 54 SER OG : rot 180:sc= 0.00603 USER MOD Single : A 56 TYR OH : rot -155:sc= 1.29 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -174:sc= -0.663 USER MOD Single : A 79 ASN : amide:sc= -2.81 K(o=-2.8,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.826 14.697 7.023 1.00 0.00 N ATOM 2 CA MET A 1 -4.052 13.431 6.268 1.00 0.00 C ATOM 3 C MET A 1 -2.858 13.163 5.357 1.00 0.00 C ATOM 4 O MET A 1 -2.261 14.085 4.802 1.00 0.00 O ATOM 5 CB MET A 1 -5.323 13.557 5.424 1.00 0.00 C ATOM 6 CG MET A 1 -5.256 14.827 4.574 1.00 0.00 C ATOM 7 SD MET A 1 -6.300 14.630 3.108 1.00 0.00 S ATOM 8 CE MET A 1 -5.237 15.526 1.951 1.00 0.00 C ATOM 0 H1 MET A 1 -4.727 15.207 7.122 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.448 14.476 7.966 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.146 15.292 6.508 1.00 0.00 H new ATOM 0 HA MET A 1 -4.166 12.605 6.970 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.432 12.683 4.781 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.199 13.588 6.072 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.589 15.686 5.157 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.226 15.024 4.276 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.697 15.529 0.963 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.109 16.552 2.295 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.264 15.037 1.897 1.00 0.00 H new ATOM 20 N ALA A 2 -2.514 11.886 5.213 1.00 0.00 N ATOM 21 CA ALA A 2 -1.387 11.501 4.369 1.00 0.00 C ATOM 22 C ALA A 2 -1.613 10.112 3.775 1.00 0.00 C ATOM 23 O ALA A 2 -0.673 9.340 3.586 1.00 0.00 O ATOM 24 CB ALA A 2 -0.090 11.491 5.181 1.00 0.00 C ATOM 0 H ALA A 2 -2.994 11.107 5.665 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.306 12.231 3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.740 11.202 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.094 12.486 5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.179 10.778 6.000 1.00 0.00 H new ATOM 30 N THR A 3 -2.874 9.805 3.482 1.00 0.00 N ATOM 31 CA THR A 3 -3.219 8.507 2.909 1.00 0.00 C ATOM 32 C THR A 3 -4.157 8.682 1.719 1.00 0.00 C ATOM 33 O THR A 3 -5.348 8.946 1.884 1.00 0.00 O ATOM 34 CB THR A 3 -3.900 7.624 3.956 1.00 0.00 C ATOM 35 OG1 THR A 3 -3.403 7.954 5.246 1.00 0.00 O ATOM 36 CG2 THR A 3 -3.608 6.152 3.655 1.00 0.00 C ATOM 0 H THR A 3 -3.666 10.430 3.630 1.00 0.00 H new ATOM 0 HA THR A 3 -2.297 8.030 2.577 1.00 0.00 H new ATOM 0 HB THR A 3 -4.977 7.790 3.927 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.839 7.391 5.919 1.00 0.00 H new ATOM 0 HG21 THR A 3 -4.094 5.525 4.402 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.990 5.900 2.666 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.532 5.982 3.683 1.00 0.00 H new ATOM 44 N LEU A 4 -3.606 8.536 0.519 1.00 0.00 N ATOM 45 CA LEU A 4 -4.402 8.683 -0.698 1.00 0.00 C ATOM 46 C LEU A 4 -4.539 7.347 -1.429 1.00 0.00 C ATOM 47 O LEU A 4 -5.504 7.125 -2.162 1.00 0.00 O ATOM 48 CB LEU A 4 -3.758 9.705 -1.639 1.00 0.00 C ATOM 49 CG LEU A 4 -2.293 9.330 -1.883 1.00 0.00 C ATOM 50 CD1 LEU A 4 -1.918 9.651 -3.333 1.00 0.00 C ATOM 51 CD2 LEU A 4 -1.392 10.130 -0.934 1.00 0.00 C ATOM 0 H LEU A 4 -2.622 8.318 0.361 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.393 9.030 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.299 9.734 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.821 10.703 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.157 8.264 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.876 9.384 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.556 9.081 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.055 10.717 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.350 9.862 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.528 11.196 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.657 9.901 0.098 1.00 0.00 H new ATOM 63 N LEU A 5 -3.568 6.457 -1.226 1.00 0.00 N ATOM 64 CA LEU A 5 -3.601 5.148 -1.877 1.00 0.00 C ATOM 65 C LEU A 5 -4.346 4.144 -0.999 1.00 0.00 C ATOM 66 O LEU A 5 -3.775 3.553 -0.084 1.00 0.00 O ATOM 67 CB LEU A 5 -2.169 4.645 -2.135 1.00 0.00 C ATOM 68 CG LEU A 5 -1.929 4.443 -3.640 1.00 0.00 C ATOM 69 CD1 LEU A 5 -2.897 3.389 -4.188 1.00 0.00 C ATOM 70 CD2 LEU A 5 -2.135 5.768 -4.383 1.00 0.00 C ATOM 0 H LEU A 5 -2.759 6.615 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.121 5.247 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.449 5.362 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.007 3.706 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.905 4.101 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.720 3.252 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.737 2.444 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.923 3.720 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.963 5.618 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.155 6.119 -4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.433 6.511 -4.004 1.00 0.00 H new ATOM 82 N THR A 6 -5.628 3.961 -1.286 1.00 0.00 N ATOM 83 CA THR A 6 -6.442 3.028 -0.512 1.00 0.00 C ATOM 84 C THR A 6 -6.389 1.631 -1.121 1.00 0.00 C ATOM 85 O THR A 6 -6.002 1.451 -2.277 1.00 0.00 O ATOM 86 CB THR A 6 -7.899 3.499 -0.470 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.232 4.113 -1.706 1.00 0.00 O ATOM 88 CG2 THR A 6 -8.078 4.507 0.668 1.00 0.00 C ATOM 0 H THR A 6 -6.124 4.439 -2.039 1.00 0.00 H new ATOM 0 HA THR A 6 -6.039 2.994 0.500 1.00 0.00 H new ATOM 0 HB THR A 6 -8.553 2.644 -0.301 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.165 4.413 -1.681 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.115 4.842 0.698 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.822 4.034 1.616 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.425 5.363 0.502 1.00 0.00 H new ATOM 96 N THR A 7 -6.790 0.641 -0.323 1.00 0.00 N ATOM 97 CA THR A 7 -6.798 -0.756 -0.771 1.00 0.00 C ATOM 98 C THR A 7 -7.550 -0.897 -2.095 1.00 0.00 C ATOM 99 O THR A 7 -7.153 -1.662 -2.972 1.00 0.00 O ATOM 100 CB THR A 7 -7.471 -1.642 0.284 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.825 -1.457 1.535 1.00 0.00 O ATOM 102 CG2 THR A 7 -7.368 -3.110 -0.132 1.00 0.00 C ATOM 0 H THR A 7 -7.113 0.778 0.635 1.00 0.00 H new ATOM 0 HA THR A 7 -5.764 -1.071 -0.914 1.00 0.00 H new ATOM 0 HB THR A 7 -8.522 -1.367 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.255 -2.021 2.212 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.848 -3.736 0.621 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.865 -3.252 -1.092 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.318 -3.390 -0.222 1.00 0.00 H new ATOM 110 N ASP A 8 -8.638 -0.141 -2.225 1.00 0.00 N ATOM 111 CA ASP A 8 -9.447 -0.172 -3.447 1.00 0.00 C ATOM 112 C ASP A 8 -8.576 0.118 -4.668 1.00 0.00 C ATOM 113 O ASP A 8 -8.647 -0.578 -5.683 1.00 0.00 O ATOM 114 CB ASP A 8 -10.567 0.869 -3.376 1.00 0.00 C ATOM 115 CG ASP A 8 -11.562 0.473 -2.290 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.232 0.630 -1.126 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.639 0.019 -2.639 1.00 0.00 O ATOM 0 H ASP A 8 -8.980 0.497 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.883 -1.167 -3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.150 1.853 -3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.073 0.941 -4.339 1.00 0.00 H new ATOM 122 N ASP A 9 -7.738 1.147 -4.549 1.00 0.00 N ATOM 123 CA ASP A 9 -6.838 1.513 -5.639 1.00 0.00 C ATOM 124 C ASP A 9 -5.879 0.361 -5.922 1.00 0.00 C ATOM 125 O ASP A 9 -5.483 0.126 -7.063 1.00 0.00 O ATOM 126 CB ASP A 9 -6.030 2.761 -5.278 1.00 0.00 C ATOM 127 CG ASP A 9 -5.488 3.404 -6.550 1.00 0.00 C ATOM 128 OD1 ASP A 9 -5.021 2.672 -7.407 1.00 0.00 O ATOM 129 OD2 ASP A 9 -5.549 4.618 -6.649 1.00 0.00 O ATOM 0 H ASP A 9 -7.664 1.735 -3.719 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.438 1.724 -6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.658 3.470 -4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.208 2.495 -4.614 1.00 0.00 H new ATOM 134 N LEU A 10 -5.522 -0.363 -4.859 1.00 0.00 N ATOM 135 CA LEU A 10 -4.618 -1.506 -4.980 1.00 0.00 C ATOM 136 C LEU A 10 -5.168 -2.525 -5.976 1.00 0.00 C ATOM 137 O LEU A 10 -4.475 -2.953 -6.899 1.00 0.00 O ATOM 138 CB LEU A 10 -4.460 -2.195 -3.620 1.00 0.00 C ATOM 139 CG LEU A 10 -3.080 -2.850 -3.508 1.00 0.00 C ATOM 140 CD1 LEU A 10 -2.951 -3.513 -2.137 1.00 0.00 C ATOM 141 CD2 LEU A 10 -2.915 -3.917 -4.596 1.00 0.00 C ATOM 0 H LEU A 10 -5.844 -0.178 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.654 -1.137 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.589 -1.467 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.238 -2.948 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.311 -2.088 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.971 -3.982 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.064 -2.760 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.726 -4.271 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.931 -4.377 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.684 -4.680 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.013 -3.454 -5.578 1.00 0.00 H new ATOM 153 N ARG A 11 -6.425 -2.911 -5.770 1.00 0.00 N ATOM 154 CA ARG A 11 -7.074 -3.887 -6.643 1.00 0.00 C ATOM 155 C ARG A 11 -7.088 -3.396 -8.088 1.00 0.00 C ATOM 156 O ARG A 11 -6.684 -4.109 -9.002 1.00 0.00 O ATOM 157 CB ARG A 11 -8.515 -4.138 -6.184 1.00 0.00 C ATOM 158 CG ARG A 11 -8.858 -5.621 -6.345 1.00 0.00 C ATOM 159 CD ARG A 11 -10.372 -5.783 -6.489 1.00 0.00 C ATOM 160 NE ARG A 11 -11.056 -5.339 -5.278 1.00 0.00 N ATOM 161 CZ ARG A 11 -11.857 -6.159 -4.604 1.00 0.00 C ATOM 162 NH1 ARG A 11 -12.705 -6.915 -5.245 1.00 0.00 N ATOM 163 NH2 ARG A 11 -11.795 -6.208 -3.301 1.00 0.00 N ATOM 0 H ARG A 11 -7.012 -2.565 -5.011 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.506 -4.816 -6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.632 -3.839 -5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.204 -3.530 -6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.353 -6.029 -7.221 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.502 -6.183 -5.482 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.725 -5.206 -7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.614 -6.827 -6.687 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.917 -4.385 -4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.754 -6.877 -6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.319 -7.544 -4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.132 -5.617 -2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.410 -6.837 -2.784 1.00 0.00 H new ATOM 177 N ARG A 12 -7.565 -2.170 -8.278 1.00 0.00 N ATOM 178 CA ARG A 12 -7.636 -1.587 -9.619 1.00 0.00 C ATOM 179 C ARG A 12 -6.255 -1.526 -10.274 1.00 0.00 C ATOM 180 O ARG A 12 -6.142 -1.461 -11.499 1.00 0.00 O ATOM 181 CB ARG A 12 -8.213 -0.172 -9.555 1.00 0.00 C ATOM 182 CG ARG A 12 -9.701 -0.242 -9.201 1.00 0.00 C ATOM 183 CD ARG A 12 -10.372 1.087 -9.553 1.00 0.00 C ATOM 184 NE ARG A 12 -10.725 1.127 -10.969 1.00 0.00 N ATOM 185 CZ ARG A 12 -11.049 2.273 -11.562 1.00 0.00 C ATOM 186 NH1 ARG A 12 -10.176 3.240 -11.632 1.00 0.00 N ATOM 187 NH2 ARG A 12 -12.239 2.428 -12.075 1.00 0.00 N ATOM 0 H ARG A 12 -7.905 -1.564 -7.531 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.284 -2.227 -10.217 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.678 0.417 -8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.080 0.330 -10.513 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.177 -1.057 -9.745 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.824 -0.453 -8.139 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.267 1.220 -8.946 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.701 1.913 -9.317 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.723 0.263 -11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.246 3.117 -11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.424 4.119 -12.087 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.920 1.671 -12.021 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.488 3.306 -12.530 1.00 0.00 H new ATOM 201 N ALA A 13 -5.204 -1.543 -9.456 1.00 0.00 N ATOM 202 CA ALA A 13 -3.843 -1.482 -9.983 1.00 0.00 C ATOM 203 C ALA A 13 -3.384 -2.857 -10.461 1.00 0.00 C ATOM 204 O ALA A 13 -2.634 -2.973 -11.430 1.00 0.00 O ATOM 205 CB ALA A 13 -2.876 -0.981 -8.908 1.00 0.00 C ATOM 0 H ALA A 13 -5.267 -1.598 -8.439 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.844 -0.791 -10.826 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.866 -0.941 -9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.176 0.016 -8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.896 -1.660 -8.056 1.00 0.00 H new ATOM 211 N LEU A 14 -3.837 -3.896 -9.767 1.00 0.00 N ATOM 212 CA LEU A 14 -3.462 -5.263 -10.127 1.00 0.00 C ATOM 213 C LEU A 14 -4.352 -5.811 -11.248 1.00 0.00 C ATOM 214 O LEU A 14 -4.017 -6.813 -11.880 1.00 0.00 O ATOM 215 CB LEU A 14 -3.565 -6.185 -8.907 1.00 0.00 C ATOM 216 CG LEU A 14 -2.200 -6.279 -8.220 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.392 -6.472 -6.715 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.425 -7.469 -8.792 1.00 0.00 C ATOM 0 H LEU A 14 -4.457 -3.822 -8.961 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.431 -5.235 -10.481 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.309 -5.801 -8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.898 -7.176 -9.214 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.642 -5.359 -8.397 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.418 -6.538 -6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.944 -5.625 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.951 -7.390 -6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.453 -7.538 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.986 -8.387 -8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.284 -7.330 -9.864 1.00 0.00 H new ATOM 230 N VAL A 15 -5.485 -5.150 -11.498 1.00 0.00 N ATOM 231 CA VAL A 15 -6.392 -5.597 -12.552 1.00 0.00 C ATOM 232 C VAL A 15 -5.833 -5.212 -13.915 1.00 0.00 C ATOM 233 O VAL A 15 -5.983 -5.943 -14.895 1.00 0.00 O ATOM 234 CB VAL A 15 -7.775 -4.961 -12.379 1.00 0.00 C ATOM 235 CG1 VAL A 15 -8.752 -5.585 -13.380 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.282 -5.198 -10.946 1.00 0.00 C ATOM 0 H VAL A 15 -5.791 -4.318 -10.994 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.487 -6.681 -12.485 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.704 -3.889 -12.560 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.736 -5.133 -13.258 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.395 -5.409 -14.395 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.821 -6.658 -13.201 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.266 -4.744 -10.828 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.352 -6.269 -10.757 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.588 -4.749 -10.236 1.00 0.00 H new ATOM 246 N GLU A 16 -5.181 -4.054 -13.963 1.00 0.00 N ATOM 247 CA GLU A 16 -4.591 -3.571 -15.209 1.00 0.00 C ATOM 248 C GLU A 16 -3.555 -4.564 -15.734 1.00 0.00 C ATOM 249 O GLU A 16 -3.341 -4.679 -16.941 1.00 0.00 O ATOM 250 CB GLU A 16 -3.916 -2.215 -14.989 1.00 0.00 C ATOM 251 CG GLU A 16 -4.963 -1.103 -15.080 1.00 0.00 C ATOM 252 CD GLU A 16 -4.396 0.179 -14.479 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.452 0.316 -13.267 1.00 0.00 O ATOM 254 OE2 GLU A 16 -3.914 1.004 -15.237 1.00 0.00 O ATOM 0 H GLU A 16 -5.048 -3.437 -13.162 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.392 -3.465 -15.941 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.430 -2.193 -14.014 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.138 -2.059 -15.736 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.243 -0.937 -16.120 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.868 -1.397 -14.549 1.00 0.00 H new ATOM 261 N CYS A 17 -2.916 -5.280 -14.811 1.00 0.00 N ATOM 262 CA CYS A 17 -1.905 -6.265 -15.189 1.00 0.00 C ATOM 263 C CYS A 17 -2.534 -7.374 -16.026 1.00 0.00 C ATOM 264 O CYS A 17 -2.232 -7.526 -17.210 1.00 0.00 O ATOM 265 CB CYS A 17 -1.263 -6.885 -13.945 1.00 0.00 C ATOM 266 SG CYS A 17 -0.614 -5.577 -12.875 1.00 0.00 S ATOM 0 H CYS A 17 -3.078 -5.198 -13.807 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.140 -5.753 -15.773 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.998 -7.480 -13.403 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.459 -7.561 -14.237 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.587 -4.802 -12.498 1.00 0.00 H new ATOM 272 N ALA A 18 -3.415 -8.148 -15.396 1.00 0.00 N ATOM 273 CA ALA A 18 -4.086 -9.244 -16.090 1.00 0.00 C ATOM 274 C ALA A 18 -5.132 -8.698 -17.055 1.00 0.00 C ATOM 275 O ALA A 18 -4.981 -8.788 -18.274 1.00 0.00 O ATOM 276 CB ALA A 18 -4.771 -10.174 -15.087 1.00 0.00 C ATOM 0 H ALA A 18 -3.679 -8.039 -14.417 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.333 -9.803 -16.646 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.266 -10.985 -15.622 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.026 -10.589 -14.408 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.510 -9.612 -14.516 1.00 0.00 H new ATOM 282 N GLY A 19 -6.194 -8.127 -16.495 1.00 0.00 N ATOM 283 CA GLY A 19 -7.263 -7.563 -17.313 1.00 0.00 C ATOM 284 C GLY A 19 -8.532 -8.401 -17.206 1.00 0.00 C ATOM 285 O GLY A 19 -9.276 -8.298 -16.231 1.00 0.00 O ATOM 0 H GLY A 19 -6.337 -8.043 -15.489 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.469 -6.541 -16.994 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.942 -7.513 -18.354 1.00 0.00 H new ATOM 289 N GLU A 20 -8.766 -9.231 -18.229 1.00 0.00 N ATOM 290 CA GLU A 20 -9.950 -10.106 -18.286 1.00 0.00 C ATOM 291 C GLU A 20 -11.168 -9.325 -18.779 1.00 0.00 C ATOM 292 O GLU A 20 -11.615 -9.507 -19.912 1.00 0.00 O ATOM 293 CB GLU A 20 -10.265 -10.743 -16.921 1.00 0.00 C ATOM 294 CG GLU A 20 -10.751 -12.183 -17.124 1.00 0.00 C ATOM 295 CD GLU A 20 -10.196 -13.072 -16.015 1.00 0.00 C ATOM 296 OE1 GLU A 20 -10.759 -13.057 -14.933 1.00 0.00 O ATOM 297 OE2 GLU A 20 -9.217 -13.757 -16.265 1.00 0.00 O ATOM 0 H GLU A 20 -8.148 -9.317 -19.036 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.720 -10.909 -18.987 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.376 -10.734 -16.291 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.028 -10.161 -16.404 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.841 -12.214 -17.118 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.427 -12.553 -18.097 1.00 0.00 H new ATOM 304 N THR A 21 -11.703 -8.450 -17.928 1.00 0.00 N ATOM 305 CA THR A 21 -12.853 -7.656 -18.295 1.00 0.00 C ATOM 306 C THR A 21 -12.667 -6.236 -17.737 1.00 0.00 C ATOM 307 O THR A 21 -11.538 -5.772 -17.574 1.00 0.00 O ATOM 308 CB THR A 21 -14.139 -8.345 -17.776 1.00 0.00 C ATOM 309 OG1 THR A 21 -15.271 -7.833 -18.466 1.00 0.00 O ATOM 310 CG2 THR A 21 -14.312 -8.134 -16.265 1.00 0.00 C ATOM 0 H THR A 21 -11.353 -8.280 -16.985 1.00 0.00 H new ATOM 0 HA THR A 21 -12.951 -7.576 -19.378 1.00 0.00 H new ATOM 0 HB THR A 21 -14.050 -9.415 -17.962 1.00 0.00 H new ATOM 0 HG1 THR A 21 -16.082 -8.273 -18.136 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.223 -8.629 -15.930 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.456 -8.555 -15.738 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.380 -7.067 -16.052 1.00 0.00 H new ATOM 318 N ASP A 22 -13.762 -5.561 -17.441 1.00 0.00 N ATOM 319 CA ASP A 22 -13.688 -4.210 -16.898 1.00 0.00 C ATOM 320 C ASP A 22 -14.030 -4.221 -15.413 1.00 0.00 C ATOM 321 O ASP A 22 -14.546 -3.243 -14.873 1.00 0.00 O ATOM 322 CB ASP A 22 -14.660 -3.281 -17.628 1.00 0.00 C ATOM 323 CG ASP A 22 -16.058 -3.887 -17.610 1.00 0.00 C ATOM 324 OD1 ASP A 22 -16.792 -3.607 -16.676 1.00 0.00 O ATOM 325 OD2 ASP A 22 -16.375 -4.624 -18.529 1.00 0.00 O ATOM 0 H ASP A 22 -14.709 -5.919 -17.565 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.670 -3.845 -17.038 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.671 -2.302 -17.150 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.331 -3.130 -18.656 1.00 0.00 H new ATOM 330 N GLY A 23 -13.743 -5.344 -14.757 1.00 0.00 N ATOM 331 CA GLY A 23 -14.032 -5.470 -13.333 1.00 0.00 C ATOM 332 C GLY A 23 -12.865 -6.109 -12.589 1.00 0.00 C ATOM 333 O GLY A 23 -11.713 -5.701 -12.737 1.00 0.00 O ATOM 0 H GLY A 23 -13.317 -6.167 -15.182 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.240 -4.486 -12.913 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.930 -6.072 -13.193 1.00 0.00 H new ATOM 337 N THR A 24 -13.183 -7.121 -11.788 1.00 0.00 N ATOM 338 CA THR A 24 -12.170 -7.825 -11.013 1.00 0.00 C ATOM 339 C THR A 24 -12.710 -9.175 -10.557 1.00 0.00 C ATOM 340 O THR A 24 -13.812 -9.269 -10.016 1.00 0.00 O ATOM 341 CB THR A 24 -11.768 -7.016 -9.777 1.00 0.00 C ATOM 342 OG1 THR A 24 -11.916 -5.625 -10.047 1.00 0.00 O ATOM 343 CG2 THR A 24 -10.313 -7.324 -9.411 1.00 0.00 C ATOM 0 H THR A 24 -14.133 -7.471 -11.659 1.00 0.00 H new ATOM 0 HA THR A 24 -11.297 -7.964 -11.650 1.00 0.00 H new ATOM 0 HB THR A 24 -12.412 -7.288 -8.941 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.379 -5.109 -9.410 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.029 -6.747 -8.531 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.209 -8.388 -9.197 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.664 -7.057 -10.245 1.00 0.00 H new ATOM 351 N ASP A 25 -11.922 -10.214 -10.782 1.00 0.00 N ATOM 352 CA ASP A 25 -12.323 -11.562 -10.391 1.00 0.00 C ATOM 353 C ASP A 25 -11.870 -11.855 -8.961 1.00 0.00 C ATOM 354 O ASP A 25 -10.968 -12.660 -8.726 1.00 0.00 O ATOM 355 CB ASP A 25 -11.715 -12.599 -11.341 1.00 0.00 C ATOM 356 CG ASP A 25 -12.288 -12.404 -12.740 1.00 0.00 C ATOM 357 OD1 ASP A 25 -12.167 -11.307 -13.261 1.00 0.00 O ATOM 358 OD2 ASP A 25 -12.840 -13.354 -13.271 1.00 0.00 O ATOM 0 H ASP A 25 -11.007 -10.155 -11.230 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.410 -11.624 -10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.630 -12.496 -11.363 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.932 -13.606 -10.985 1.00 0.00 H new ATOM 363 N LEU A 26 -12.513 -11.185 -8.008 1.00 0.00 N ATOM 364 CA LEU A 26 -12.182 -11.369 -6.599 1.00 0.00 C ATOM 365 C LEU A 26 -13.432 -11.202 -5.740 1.00 0.00 C ATOM 366 O LEU A 26 -14.030 -10.128 -5.689 1.00 0.00 O ATOM 367 CB LEU A 26 -11.132 -10.348 -6.155 1.00 0.00 C ATOM 368 CG LEU A 26 -9.749 -10.793 -6.633 1.00 0.00 C ATOM 369 CD1 LEU A 26 -8.749 -9.651 -6.440 1.00 0.00 C ATOM 370 CD2 LEU A 26 -9.296 -12.008 -5.819 1.00 0.00 C ATOM 0 H LEU A 26 -13.261 -10.514 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.781 -12.375 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.370 -9.366 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.139 -10.253 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.798 -11.058 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.764 -9.969 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.071 -8.784 -7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.699 -9.385 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.310 -12.326 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.247 -11.741 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.007 -12.823 -5.955 1.00 0.00 H new ATOM 382 N SER A 27 -13.821 -12.284 -5.070 1.00 0.00 N ATOM 383 CA SER A 27 -15.009 -12.259 -4.214 1.00 0.00 C ATOM 384 C SER A 27 -14.914 -11.167 -3.149 1.00 0.00 C ATOM 385 O SER A 27 -15.927 -10.713 -2.618 1.00 0.00 O ATOM 386 CB SER A 27 -15.200 -13.609 -3.524 1.00 0.00 C ATOM 387 OG SER A 27 -14.162 -13.801 -2.571 1.00 0.00 O ATOM 0 H SER A 27 -13.338 -13.182 -5.101 1.00 0.00 H new ATOM 0 HA SER A 27 -15.863 -12.047 -4.857 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.172 -13.645 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.186 -14.412 -4.261 1.00 0.00 H new ATOM 0 HG SER A 27 -14.283 -14.665 -2.125 1.00 0.00 H new ATOM 393 N GLY A 28 -13.692 -10.751 -2.844 1.00 0.00 N ATOM 394 CA GLY A 28 -13.484 -9.710 -1.841 1.00 0.00 C ATOM 395 C GLY A 28 -12.055 -9.744 -1.310 1.00 0.00 C ATOM 396 O GLY A 28 -11.327 -8.755 -1.386 1.00 0.00 O ATOM 0 H GLY A 28 -12.838 -11.112 -3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.691 -8.733 -2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.185 -9.847 -1.018 1.00 0.00 H new ATOM 400 N ASP A 29 -11.664 -10.893 -0.767 1.00 0.00 N ATOM 401 CA ASP A 29 -10.318 -11.050 -0.222 1.00 0.00 C ATOM 402 C ASP A 29 -9.302 -11.179 -1.351 1.00 0.00 C ATOM 403 O ASP A 29 -9.433 -12.029 -2.231 1.00 0.00 O ATOM 404 CB ASP A 29 -10.240 -12.295 0.663 1.00 0.00 C ATOM 405 CG ASP A 29 -11.273 -12.192 1.780 1.00 0.00 C ATOM 406 OD1 ASP A 29 -12.391 -12.633 1.569 1.00 0.00 O ATOM 407 OD2 ASP A 29 -10.932 -11.671 2.829 1.00 0.00 O ATOM 0 H ASP A 29 -12.253 -11.722 -0.692 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.090 -10.167 0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.421 -13.189 0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.240 -12.391 1.086 1.00 0.00 H new ATOM 412 N PHE A 30 -8.284 -10.323 -1.316 1.00 0.00 N ATOM 413 CA PHE A 30 -7.247 -10.348 -2.346 1.00 0.00 C ATOM 414 C PHE A 30 -5.918 -9.820 -1.798 1.00 0.00 C ATOM 415 O PHE A 30 -5.085 -9.314 -2.550 1.00 0.00 O ATOM 416 CB PHE A 30 -7.683 -9.502 -3.556 1.00 0.00 C ATOM 417 CG PHE A 30 -7.677 -8.021 -3.213 1.00 0.00 C ATOM 418 CD1 PHE A 30 -8.524 -7.522 -2.215 1.00 0.00 C ATOM 419 CD2 PHE A 30 -6.816 -7.152 -3.895 1.00 0.00 C ATOM 420 CE1 PHE A 30 -8.509 -6.157 -1.901 1.00 0.00 C ATOM 421 CE2 PHE A 30 -6.800 -5.788 -3.581 1.00 0.00 C ATOM 422 CZ PHE A 30 -7.648 -5.291 -2.583 1.00 0.00 C ATOM 0 H PHE A 30 -8.154 -9.612 -0.596 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.105 -11.382 -2.660 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.013 -9.688 -4.395 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.682 -9.802 -3.873 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.189 -8.190 -1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.163 -7.535 -4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.163 -5.773 -1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.135 -5.120 -4.107 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.637 -4.239 -2.340 1.00 0.00 H new ATOM 432 N LEU A 31 -5.736 -9.923 -0.486 1.00 0.00 N ATOM 433 CA LEU A 31 -4.510 -9.427 0.131 1.00 0.00 C ATOM 434 C LEU A 31 -3.925 -10.454 1.095 1.00 0.00 C ATOM 435 O LEU A 31 -3.933 -10.272 2.313 1.00 0.00 O ATOM 436 CB LEU A 31 -4.789 -8.117 0.866 1.00 0.00 C ATOM 437 CG LEU A 31 -5.415 -7.127 -0.119 1.00 0.00 C ATOM 438 CD1 LEU A 31 -5.962 -5.911 0.637 1.00 0.00 C ATOM 439 CD2 LEU A 31 -4.351 -6.679 -1.127 1.00 0.00 C ATOM 0 H LEU A 31 -6.407 -10.337 0.161 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.779 -9.249 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.461 -8.291 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.865 -7.709 1.276 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.237 -7.610 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.406 -5.211 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.720 -6.236 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.149 -5.419 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.791 -5.973 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.528 -6.198 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.975 -7.547 -1.669 1.00 0.00 H new ATOM 451 N ASP A 32 -3.405 -11.528 0.517 1.00 0.00 N ATOM 452 CA ASP A 32 -2.789 -12.599 1.291 1.00 0.00 C ATOM 453 C ASP A 32 -1.837 -13.370 0.388 1.00 0.00 C ATOM 454 O ASP A 32 -2.163 -14.448 -0.109 1.00 0.00 O ATOM 455 CB ASP A 32 -3.853 -13.553 1.842 1.00 0.00 C ATOM 456 CG ASP A 32 -4.663 -12.845 2.923 1.00 0.00 C ATOM 457 OD1 ASP A 32 -4.099 -12.560 3.967 1.00 0.00 O ATOM 458 OD2 ASP A 32 -5.835 -12.599 2.692 1.00 0.00 O ATOM 0 H ASP A 32 -3.397 -11.682 -0.491 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.248 -12.165 2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.511 -13.884 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.379 -14.444 2.253 1.00 0.00 H new ATOM 463 N LEU A 33 -0.664 -12.782 0.152 1.00 0.00 N ATOM 464 CA LEU A 33 0.328 -13.398 -0.729 1.00 0.00 C ATOM 465 C LEU A 33 -0.255 -13.517 -2.134 1.00 0.00 C ATOM 466 O LEU A 33 -0.046 -14.507 -2.833 1.00 0.00 O ATOM 467 CB LEU A 33 0.733 -14.786 -0.220 1.00 0.00 C ATOM 468 CG LEU A 33 1.526 -14.640 1.079 1.00 0.00 C ATOM 469 CD1 LEU A 33 1.569 -15.986 1.805 1.00 0.00 C ATOM 470 CD2 LEU A 33 2.953 -14.189 0.758 1.00 0.00 C ATOM 0 H LEU A 33 -0.379 -11.889 0.554 1.00 0.00 H new ATOM 0 HA LEU A 33 1.218 -12.769 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.154 -15.396 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.334 -15.299 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 33 1.045 -13.898 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.134 -15.882 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.553 -16.308 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.050 -16.728 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.519 -14.085 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.434 -14.931 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.924 -13.230 0.241 1.00 0.00 H new ATOM 482 N ARG A 34 -1.006 -12.488 -2.521 1.00 0.00 N ATOM 483 CA ARG A 34 -1.650 -12.458 -3.834 1.00 0.00 C ATOM 484 C ARG A 34 -0.614 -12.475 -4.956 1.00 0.00 C ATOM 485 O ARG A 34 -0.836 -13.073 -6.009 1.00 0.00 O ATOM 486 CB ARG A 34 -2.523 -11.203 -3.964 1.00 0.00 C ATOM 487 CG ARG A 34 -3.324 -11.259 -5.267 1.00 0.00 C ATOM 488 CD ARG A 34 -4.588 -12.095 -5.055 1.00 0.00 C ATOM 489 NE ARG A 34 -5.307 -12.270 -6.313 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.801 -13.011 -7.295 1.00 0.00 C ATOM 491 NH1 ARG A 34 -4.706 -14.305 -7.152 1.00 0.00 N ATOM 492 NH2 ARG A 34 -4.401 -12.446 -8.400 1.00 0.00 N ATOM 0 H ARG A 34 -1.184 -11.665 -1.946 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.272 -13.348 -3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.200 -11.131 -3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.897 -10.311 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.591 -10.251 -5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.717 -11.694 -6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.321 -13.069 -4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.235 -11.607 -4.325 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.212 -11.817 -6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.020 -14.747 -6.288 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.318 -14.874 -7.904 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.476 -11.435 -8.512 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.013 -13.015 -9.152 1.00 0.00 H new ATOM 506 N PHE A 35 0.520 -11.817 -4.726 1.00 0.00 N ATOM 507 CA PHE A 35 1.578 -11.773 -5.738 1.00 0.00 C ATOM 508 C PHE A 35 2.072 -13.183 -6.053 1.00 0.00 C ATOM 509 O PHE A 35 1.811 -13.722 -7.130 1.00 0.00 O ATOM 510 CB PHE A 35 2.758 -10.920 -5.252 1.00 0.00 C ATOM 511 CG PHE A 35 2.547 -9.474 -5.648 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.338 -8.831 -5.343 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.559 -8.769 -6.319 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.143 -7.495 -5.707 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.360 -7.433 -6.682 1.00 0.00 C ATOM 516 CZ PHE A 35 2.154 -6.796 -6.377 1.00 0.00 C ATOM 0 H PHE A 35 0.730 -11.314 -3.864 1.00 0.00 H new ATOM 0 HA PHE A 35 1.161 -11.325 -6.640 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.853 -10.999 -4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.688 -11.292 -5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.557 -9.369 -4.826 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.492 -9.259 -6.555 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.212 -7.002 -5.471 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.139 -6.893 -7.199 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.002 -5.764 -6.658 1.00 0.00 H new ATOM 526 N GLU A 36 2.783 -13.776 -5.098 1.00 0.00 N ATOM 527 CA GLU A 36 3.315 -15.129 -5.274 1.00 0.00 C ATOM 528 C GLU A 36 2.204 -16.141 -5.576 1.00 0.00 C ATOM 529 O GLU A 36 2.470 -17.232 -6.080 1.00 0.00 O ATOM 530 CB GLU A 36 4.059 -15.575 -4.014 1.00 0.00 C ATOM 531 CG GLU A 36 3.144 -15.420 -2.797 1.00 0.00 C ATOM 532 CD GLU A 36 3.666 -16.285 -1.655 1.00 0.00 C ATOM 533 OE1 GLU A 36 4.767 -16.026 -1.199 1.00 0.00 O ATOM 534 OE2 GLU A 36 2.957 -17.192 -1.254 1.00 0.00 O ATOM 0 H GLU A 36 3.004 -13.347 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 36 3.999 -15.097 -6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.375 -16.613 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.962 -14.978 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.106 -14.375 -2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.126 -15.714 -3.054 1.00 0.00 H new ATOM 541 N ASP A 37 0.956 -15.781 -5.259 1.00 0.00 N ATOM 542 CA ASP A 37 -0.185 -16.676 -5.497 1.00 0.00 C ATOM 543 C ASP A 37 -0.167 -17.247 -6.916 1.00 0.00 C ATOM 544 O ASP A 37 -0.019 -18.453 -7.112 1.00 0.00 O ATOM 545 CB ASP A 37 -1.501 -15.926 -5.286 1.00 0.00 C ATOM 546 CG ASP A 37 -2.638 -16.930 -5.126 1.00 0.00 C ATOM 547 OD1 ASP A 37 -2.692 -17.864 -5.909 1.00 0.00 O ATOM 548 OD2 ASP A 37 -3.438 -16.750 -4.223 1.00 0.00 O ATOM 0 H ASP A 37 0.710 -14.884 -4.840 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.103 -17.498 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.433 -15.293 -4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.698 -15.269 -6.134 1.00 0.00 H new ATOM 553 N ILE A 38 -0.324 -16.368 -7.903 1.00 0.00 N ATOM 554 CA ILE A 38 -0.329 -16.805 -9.298 1.00 0.00 C ATOM 555 C ILE A 38 1.063 -17.273 -9.732 1.00 0.00 C ATOM 556 O ILE A 38 1.200 -18.074 -10.656 1.00 0.00 O ATOM 557 CB ILE A 38 -0.806 -15.674 -10.222 1.00 0.00 C ATOM 558 CG1 ILE A 38 0.163 -14.478 -10.150 1.00 0.00 C ATOM 559 CG2 ILE A 38 -2.204 -15.221 -9.791 1.00 0.00 C ATOM 560 CD1 ILE A 38 0.512 -14.014 -11.567 1.00 0.00 C ATOM 0 H ILE A 38 -0.448 -15.365 -7.768 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.021 -17.643 -9.378 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.835 -16.044 -11.247 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.293 -13.661 -9.591 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.070 -14.763 -9.616 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.544 -14.418 -10.445 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.895 -16.061 -9.857 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.169 -14.861 -8.763 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.197 -13.168 -11.514 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.985 -14.831 -12.111 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.398 -13.712 -12.085 1.00 0.00 H new ATOM 572 N GLY A 39 2.094 -16.765 -9.057 1.00 0.00 N ATOM 573 CA GLY A 39 3.465 -17.142 -9.387 1.00 0.00 C ATOM 574 C GLY A 39 4.270 -15.928 -9.845 1.00 0.00 C ATOM 575 O GLY A 39 5.079 -16.016 -10.769 1.00 0.00 O ATOM 0 H GLY A 39 2.007 -16.100 -8.288 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.942 -17.592 -8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.459 -17.897 -10.173 1.00 0.00 H new ATOM 579 N TYR A 40 4.042 -14.793 -9.187 1.00 0.00 N ATOM 580 CA TYR A 40 4.759 -13.568 -9.534 1.00 0.00 C ATOM 581 C TYR A 40 6.221 -13.679 -9.116 1.00 0.00 C ATOM 582 O TYR A 40 6.551 -14.330 -8.124 1.00 0.00 O ATOM 583 CB TYR A 40 4.134 -12.354 -8.830 1.00 0.00 C ATOM 584 CG TYR A 40 3.206 -11.626 -9.773 1.00 0.00 C ATOM 585 CD1 TYR A 40 3.721 -10.677 -10.664 1.00 0.00 C ATOM 586 CD2 TYR A 40 1.831 -11.894 -9.754 1.00 0.00 C ATOM 587 CE1 TYR A 40 2.863 -9.996 -11.536 1.00 0.00 C ATOM 588 CE2 TYR A 40 0.974 -11.214 -10.627 1.00 0.00 C ATOM 589 CZ TYR A 40 1.490 -10.265 -11.518 1.00 0.00 C ATOM 590 OH TYR A 40 0.644 -9.594 -12.378 1.00 0.00 O ATOM 0 H TYR A 40 3.376 -14.696 -8.421 1.00 0.00 H new ATOM 0 HA TYR A 40 4.691 -13.433 -10.613 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.585 -12.680 -7.947 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.918 -11.679 -8.487 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.781 -10.470 -10.679 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.433 -12.625 -9.066 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.261 -9.263 -12.222 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.086 -11.421 -10.613 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.276 -9.900 -12.237 1.00 0.00 H new ATOM 600 N ASP A 41 7.091 -13.025 -9.876 1.00 0.00 N ATOM 601 CA ASP A 41 8.519 -13.041 -9.570 1.00 0.00 C ATOM 602 C ASP A 41 9.007 -11.623 -9.303 1.00 0.00 C ATOM 603 O ASP A 41 9.597 -11.341 -8.260 1.00 0.00 O ATOM 604 CB ASP A 41 9.338 -13.657 -10.719 1.00 0.00 C ATOM 605 CG ASP A 41 8.814 -13.180 -12.074 1.00 0.00 C ATOM 606 OD1 ASP A 41 7.714 -13.568 -12.432 1.00 0.00 O ATOM 607 OD2 ASP A 41 9.523 -12.434 -12.731 1.00 0.00 O ATOM 0 H ASP A 41 6.838 -12.481 -10.701 1.00 0.00 H new ATOM 0 HA ASP A 41 8.662 -13.657 -8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.387 -13.382 -10.612 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.287 -14.745 -10.666 1.00 0.00 H new ATOM 612 N SER A 42 8.740 -10.728 -10.258 1.00 0.00 N ATOM 613 CA SER A 42 9.135 -9.318 -10.142 1.00 0.00 C ATOM 614 C SER A 42 9.072 -8.645 -11.507 1.00 0.00 C ATOM 615 O SER A 42 8.508 -7.565 -11.653 1.00 0.00 O ATOM 616 CB SER A 42 10.562 -9.166 -9.596 1.00 0.00 C ATOM 617 OG SER A 42 11.410 -10.114 -10.229 1.00 0.00 O ATOM 0 H SER A 42 8.250 -10.954 -11.124 1.00 0.00 H new ATOM 0 HA SER A 42 8.440 -8.848 -9.447 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.928 -8.155 -9.778 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.569 -9.318 -8.517 1.00 0.00 H new ATOM 0 HG SER A 42 12.322 -10.019 -9.884 1.00 0.00 H new ATOM 623 N LEU A 43 9.663 -9.297 -12.505 1.00 0.00 N ATOM 624 CA LEU A 43 9.674 -8.751 -13.860 1.00 0.00 C ATOM 625 C LEU A 43 8.252 -8.571 -14.382 1.00 0.00 C ATOM 626 O LEU A 43 7.972 -7.662 -15.163 1.00 0.00 O ATOM 627 CB LEU A 43 10.437 -9.681 -14.807 1.00 0.00 C ATOM 628 CG LEU A 43 10.941 -8.883 -16.009 1.00 0.00 C ATOM 629 CD1 LEU A 43 12.172 -8.069 -15.602 1.00 0.00 C ATOM 630 CD2 LEU A 43 11.319 -9.845 -17.138 1.00 0.00 C ATOM 0 H LEU A 43 10.136 -10.195 -12.404 1.00 0.00 H new ATOM 0 HA LEU A 43 10.170 -7.781 -13.823 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.276 -10.141 -14.285 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.787 -10.490 -15.141 1.00 0.00 H new ATOM 0 HG LEU A 43 10.156 -8.209 -16.352 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.532 -7.500 -16.459 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.905 -7.384 -14.797 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.957 -8.743 -15.259 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.679 -9.276 -17.996 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.104 -10.519 -16.794 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.444 -10.426 -17.429 1.00 0.00 H new ATOM 642 N ALA A 44 7.355 -9.449 -13.940 1.00 0.00 N ATOM 643 CA ALA A 44 5.962 -9.378 -14.369 1.00 0.00 C ATOM 644 C ALA A 44 5.308 -8.101 -13.853 1.00 0.00 C ATOM 645 O ALA A 44 4.639 -7.384 -14.597 1.00 0.00 O ATOM 646 CB ALA A 44 5.178 -10.584 -13.847 1.00 0.00 C ATOM 0 H ALA A 44 7.564 -10.209 -13.293 1.00 0.00 H new ATOM 0 HA ALA A 44 5.947 -9.379 -15.459 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.141 -10.514 -14.177 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.621 -11.501 -14.234 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.212 -10.596 -12.758 1.00 0.00 H new ATOM 652 N LEU A 45 5.506 -7.825 -12.567 1.00 0.00 N ATOM 653 CA LEU A 45 4.928 -6.630 -11.954 1.00 0.00 C ATOM 654 C LEU A 45 5.867 -5.420 -12.058 1.00 0.00 C ATOM 655 O LEU A 45 5.551 -4.336 -11.565 1.00 0.00 O ATOM 656 CB LEU A 45 4.601 -6.897 -10.483 1.00 0.00 C ATOM 657 CG LEU A 45 5.875 -7.261 -9.703 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.288 -6.087 -8.813 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.603 -8.485 -8.820 1.00 0.00 C ATOM 0 H LEU A 45 6.056 -8.405 -11.934 1.00 0.00 H new ATOM 0 HA LEU A 45 4.014 -6.396 -12.500 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.138 -6.014 -10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.877 -7.709 -10.407 1.00 0.00 H new ATOM 0 HG LEU A 45 6.675 -7.485 -10.409 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.191 -6.349 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.482 -5.211 -9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.486 -5.864 -8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.506 -8.743 -8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.801 -8.256 -8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.308 -9.327 -9.446 1.00 0.00 H new ATOM 671 N MET A 46 7.016 -5.607 -12.708 1.00 0.00 N ATOM 672 CA MET A 46 7.976 -4.515 -12.869 1.00 0.00 C ATOM 673 C MET A 46 7.639 -3.693 -14.109 1.00 0.00 C ATOM 674 O MET A 46 7.841 -2.480 -14.142 1.00 0.00 O ATOM 675 CB MET A 46 9.401 -5.063 -13.007 1.00 0.00 C ATOM 676 CG MET A 46 10.406 -3.906 -13.007 1.00 0.00 C ATOM 677 SD MET A 46 11.828 -4.338 -14.041 1.00 0.00 S ATOM 678 CE MET A 46 11.240 -3.568 -15.571 1.00 0.00 C ATOM 0 H MET A 46 7.302 -6.492 -13.127 1.00 0.00 H new ATOM 0 HA MET A 46 7.917 -3.883 -11.983 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.619 -5.746 -12.186 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.492 -5.636 -13.930 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.932 -2.999 -13.383 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.734 -3.696 -11.989 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.978 -3.716 -16.360 1.00 0.00 H new ATOM 0 HE2 MET A 46 10.295 -4.023 -15.868 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.093 -2.500 -15.408 1.00 0.00 H new ATOM 688 N GLU A 47 7.122 -4.371 -15.130 1.00 0.00 N ATOM 689 CA GLU A 47 6.758 -3.695 -16.372 1.00 0.00 C ATOM 690 C GLU A 47 5.447 -2.939 -16.196 1.00 0.00 C ATOM 691 O GLU A 47 5.274 -1.834 -16.711 1.00 0.00 O ATOM 692 CB GLU A 47 6.603 -4.707 -17.509 1.00 0.00 C ATOM 693 CG GLU A 47 7.972 -4.995 -18.128 1.00 0.00 C ATOM 694 CD GLU A 47 7.807 -5.284 -19.616 1.00 0.00 C ATOM 695 OE1 GLU A 47 6.936 -6.070 -19.954 1.00 0.00 O ATOM 696 OE2 GLU A 47 8.552 -4.715 -20.396 1.00 0.00 O ATOM 0 H GLU A 47 6.947 -5.376 -15.124 1.00 0.00 H new ATOM 0 HA GLU A 47 7.554 -2.993 -16.621 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.162 -5.629 -17.131 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.924 -4.316 -18.267 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.635 -4.142 -17.984 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.436 -5.847 -17.631 1.00 0.00 H new ATOM 703 N THR A 48 4.524 -3.549 -15.458 1.00 0.00 N ATOM 704 CA THR A 48 3.226 -2.928 -15.215 1.00 0.00 C ATOM 705 C THR A 48 3.374 -1.746 -14.264 1.00 0.00 C ATOM 706 O THR A 48 2.887 -0.648 -14.536 1.00 0.00 O ATOM 707 CB THR A 48 2.250 -3.938 -14.607 1.00 0.00 C ATOM 708 OG1 THR A 48 2.331 -5.163 -15.325 1.00 0.00 O ATOM 709 CG2 THR A 48 0.822 -3.392 -14.685 1.00 0.00 C ATOM 0 H THR A 48 4.648 -4.463 -15.022 1.00 0.00 H new ATOM 0 HA THR A 48 2.835 -2.581 -16.172 1.00 0.00 H new ATOM 0 HB THR A 48 2.511 -4.108 -13.562 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.074 -5.698 -14.976 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.132 -4.115 -14.251 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.760 -2.454 -14.133 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.556 -3.217 -15.727 1.00 0.00 H new ATOM 717 N ALA A 49 4.054 -1.980 -13.146 1.00 0.00 N ATOM 718 CA ALA A 49 4.263 -0.923 -12.158 1.00 0.00 C ATOM 719 C ALA A 49 5.106 0.203 -12.752 1.00 0.00 C ATOM 720 O ALA A 49 4.946 1.372 -12.398 1.00 0.00 O ATOM 721 CB ALA A 49 4.974 -1.477 -10.922 1.00 0.00 C ATOM 0 H ALA A 49 4.466 -2.880 -12.902 1.00 0.00 H new ATOM 0 HA ALA A 49 3.286 -0.534 -11.871 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.121 -0.676 -10.197 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.366 -2.264 -10.475 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.942 -1.886 -11.212 1.00 0.00 H new ATOM 727 N ALA A 50 6.007 -0.163 -13.659 1.00 0.00 N ATOM 728 CA ALA A 50 6.876 0.821 -14.298 1.00 0.00 C ATOM 729 C ALA A 50 6.056 1.799 -15.133 1.00 0.00 C ATOM 730 O ALA A 50 6.281 3.009 -15.096 1.00 0.00 O ATOM 731 CB ALA A 50 7.896 0.128 -15.204 1.00 0.00 C ATOM 0 H ALA A 50 6.154 -1.124 -13.966 1.00 0.00 H new ATOM 0 HA ALA A 50 7.399 1.365 -13.511 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.535 0.877 -15.672 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.508 -0.551 -14.610 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.373 -0.436 -15.976 1.00 0.00 H new ATOM 737 N ARG A 51 5.103 1.262 -15.888 1.00 0.00 N ATOM 738 CA ARG A 51 4.253 2.099 -16.732 1.00 0.00 C ATOM 739 C ARG A 51 3.425 3.051 -15.875 1.00 0.00 C ATOM 740 O ARG A 51 3.266 4.226 -16.203 1.00 0.00 O ATOM 741 CB ARG A 51 3.310 1.233 -17.571 1.00 0.00 C ATOM 742 CG ARG A 51 4.076 0.644 -18.757 1.00 0.00 C ATOM 743 CD ARG A 51 4.309 1.731 -19.807 1.00 0.00 C ATOM 744 NE ARG A 51 4.958 1.175 -20.990 1.00 0.00 N ATOM 745 CZ ARG A 51 6.033 1.755 -21.518 1.00 0.00 C ATOM 746 NH1 ARG A 51 7.214 1.520 -21.015 1.00 0.00 N ATOM 747 NH2 ARG A 51 5.905 2.560 -22.537 1.00 0.00 N ATOM 0 H ARG A 51 4.900 0.263 -15.934 1.00 0.00 H new ATOM 0 HA ARG A 51 4.899 2.675 -17.394 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.894 0.432 -16.959 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.471 1.831 -17.927 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.030 0.238 -18.421 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.514 -0.182 -19.192 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.358 2.183 -20.087 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.927 2.524 -19.386 1.00 0.00 H new ATOM 0 HE ARG A 51 4.582 0.329 -21.419 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.313 0.892 -20.217 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.038 1.964 -21.419 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.981 2.744 -22.928 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.729 3.005 -22.942 1.00 0.00 H new ATOM 761 N LEU A 52 2.899 2.527 -14.771 1.00 0.00 N ATOM 762 CA LEU A 52 2.084 3.338 -13.868 1.00 0.00 C ATOM 763 C LEU A 52 2.937 4.013 -12.785 1.00 0.00 C ATOM 764 O LEU A 52 2.404 4.667 -11.890 1.00 0.00 O ATOM 765 CB LEU A 52 1.022 2.470 -13.190 1.00 0.00 C ATOM 766 CG LEU A 52 -0.230 2.419 -14.067 1.00 0.00 C ATOM 767 CD1 LEU A 52 0.085 1.674 -15.364 1.00 0.00 C ATOM 768 CD2 LEU A 52 -1.346 1.688 -13.318 1.00 0.00 C ATOM 0 H LEU A 52 3.020 1.556 -14.481 1.00 0.00 H new ATOM 0 HA LEU A 52 1.609 4.112 -14.470 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.408 1.463 -13.029 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.776 2.877 -12.209 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.552 3.434 -14.301 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.807 1.638 -15.989 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.881 2.193 -15.898 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.407 0.659 -15.132 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.239 1.651 -13.942 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.024 0.673 -13.085 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.571 2.219 -12.393 1.00 0.00 H new ATOM 780 N GLU A 53 4.261 3.855 -12.867 1.00 0.00 N ATOM 781 CA GLU A 53 5.147 4.464 -11.879 1.00 0.00 C ATOM 782 C GLU A 53 5.100 5.986 -11.985 1.00 0.00 C ATOM 783 O GLU A 53 5.217 6.697 -10.988 1.00 0.00 O ATOM 784 CB GLU A 53 6.588 3.996 -12.087 1.00 0.00 C ATOM 785 CG GLU A 53 7.451 4.460 -10.913 1.00 0.00 C ATOM 786 CD GLU A 53 8.864 4.758 -11.405 1.00 0.00 C ATOM 787 OE1 GLU A 53 8.994 5.534 -12.337 1.00 0.00 O ATOM 788 OE2 GLU A 53 9.794 4.207 -10.841 1.00 0.00 O ATOM 0 H GLU A 53 4.734 3.320 -13.595 1.00 0.00 H new ATOM 0 HA GLU A 53 4.806 4.157 -10.890 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.620 2.910 -12.168 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.980 4.397 -13.021 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.017 5.351 -10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.478 3.690 -10.142 1.00 0.00 H new ATOM 795 N SER A 54 4.926 6.476 -13.210 1.00 0.00 N ATOM 796 CA SER A 54 4.865 7.916 -13.443 1.00 0.00 C ATOM 797 C SER A 54 3.429 8.415 -13.312 1.00 0.00 C ATOM 798 O SER A 54 3.184 9.540 -12.875 1.00 0.00 O ATOM 799 CB SER A 54 5.384 8.255 -14.840 1.00 0.00 C ATOM 800 OG SER A 54 4.688 7.474 -15.802 1.00 0.00 O ATOM 0 H SER A 54 4.826 5.904 -14.048 1.00 0.00 H new ATOM 0 HA SER A 54 5.490 8.405 -12.696 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.243 9.316 -15.045 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.454 8.058 -14.900 1.00 0.00 H new ATOM 0 HG SER A 54 5.017 7.690 -16.699 1.00 0.00 H new ATOM 806 N ARG A 55 2.482 7.563 -13.695 1.00 0.00 N ATOM 807 CA ARG A 55 1.069 7.923 -13.617 1.00 0.00 C ATOM 808 C ARG A 55 0.670 8.204 -12.171 1.00 0.00 C ATOM 809 O ARG A 55 -0.187 9.046 -11.900 1.00 0.00 O ATOM 810 CB ARG A 55 0.199 6.789 -14.164 1.00 0.00 C ATOM 811 CG ARG A 55 -1.253 7.259 -14.265 1.00 0.00 C ATOM 812 CD ARG A 55 -2.067 6.233 -15.055 1.00 0.00 C ATOM 813 NE ARG A 55 -3.463 6.245 -14.629 1.00 0.00 N ATOM 814 CZ ARG A 55 -4.429 5.814 -15.437 1.00 0.00 C ATOM 815 NH1 ARG A 55 -4.536 6.302 -16.642 1.00 0.00 N ATOM 816 NH2 ARG A 55 -5.265 4.901 -15.026 1.00 0.00 N ATOM 0 H ARG A 55 2.664 6.628 -14.059 1.00 0.00 H new ATOM 0 HA ARG A 55 0.915 8.820 -14.216 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.561 6.480 -15.145 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.266 5.919 -13.511 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.676 7.385 -13.268 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.299 8.231 -14.756 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.005 6.454 -16.121 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.646 5.238 -14.911 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.702 6.589 -13.699 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.880 7.013 -16.964 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.276 5.972 -17.262 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.179 4.517 -14.085 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.005 4.571 -15.646 1.00 0.00 H new ATOM 830 N TYR A 56 1.303 7.491 -11.246 1.00 0.00 N ATOM 831 CA TYR A 56 1.011 7.668 -9.827 1.00 0.00 C ATOM 832 C TYR A 56 1.845 8.807 -9.250 1.00 0.00 C ATOM 833 O TYR A 56 1.413 9.509 -8.335 1.00 0.00 O ATOM 834 CB TYR A 56 1.314 6.385 -9.052 1.00 0.00 C ATOM 835 CG TYR A 56 0.104 5.483 -9.077 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.353 4.961 -10.293 1.00 0.00 C ATOM 837 CD2 TYR A 56 -0.560 5.171 -7.886 1.00 0.00 C ATOM 838 CE1 TYR A 56 -1.476 4.124 -10.317 1.00 0.00 C ATOM 839 CE2 TYR A 56 -1.683 4.334 -7.910 1.00 0.00 C ATOM 840 CZ TYR A 56 -2.141 3.811 -9.125 1.00 0.00 C ATOM 841 OH TYR A 56 -3.247 2.987 -9.150 1.00 0.00 O ATOM 0 H TYR A 56 2.016 6.791 -11.450 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.048 7.907 -9.729 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.170 5.875 -9.493 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.581 6.624 -8.023 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.160 5.203 -11.212 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.207 5.575 -6.949 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.829 3.720 -11.254 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.196 4.092 -6.991 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.809 3.169 -8.368 1.00 0.00 H new ATOM 851 N GLY A 57 3.047 8.981 -9.792 1.00 0.00 N ATOM 852 CA GLY A 57 3.938 10.039 -9.321 1.00 0.00 C ATOM 853 C GLY A 57 5.103 9.462 -8.520 1.00 0.00 C ATOM 854 O GLY A 57 6.170 10.071 -8.428 1.00 0.00 O ATOM 0 H GLY A 57 3.424 8.411 -10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.321 10.601 -10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.379 10.740 -8.702 1.00 0.00 H new ATOM 858 N VAL A 58 4.892 8.281 -7.939 1.00 0.00 N ATOM 859 CA VAL A 58 5.928 7.633 -7.145 1.00 0.00 C ATOM 860 C VAL A 58 7.173 7.368 -7.996 1.00 0.00 C ATOM 861 O VAL A 58 7.112 7.329 -9.225 1.00 0.00 O ATOM 862 CB VAL A 58 5.390 6.314 -6.570 1.00 0.00 C ATOM 863 CG1 VAL A 58 4.989 5.372 -7.708 1.00 0.00 C ATOM 864 CG2 VAL A 58 6.459 5.643 -5.706 1.00 0.00 C ATOM 0 H VAL A 58 4.018 7.759 -8.004 1.00 0.00 H new ATOM 0 HA VAL A 58 6.208 8.295 -6.326 1.00 0.00 H new ATOM 0 HB VAL A 58 4.516 6.531 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.609 4.439 -7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.214 5.842 -8.313 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.859 5.163 -8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.068 4.709 -5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.340 5.435 -6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.732 6.306 -4.885 1.00 0.00 H new ATOM 874 N SER A 59 8.300 7.188 -7.316 1.00 0.00 N ATOM 875 CA SER A 59 9.565 6.925 -7.999 1.00 0.00 C ATOM 876 C SER A 59 10.401 5.934 -7.189 1.00 0.00 C ATOM 877 O SER A 59 11.551 6.200 -6.833 1.00 0.00 O ATOM 878 CB SER A 59 10.351 8.225 -8.184 1.00 0.00 C ATOM 879 OG SER A 59 10.290 8.986 -6.985 1.00 0.00 O ATOM 0 H SER A 59 8.366 7.219 -6.299 1.00 0.00 H new ATOM 0 HA SER A 59 9.347 6.499 -8.978 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.388 8.004 -8.435 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.937 8.798 -9.014 1.00 0.00 H new ATOM 0 HG SER A 59 10.794 9.819 -7.100 1.00 0.00 H new ATOM 885 N ILE A 60 9.801 4.784 -6.902 1.00 0.00 N ATOM 886 CA ILE A 60 10.479 3.746 -6.133 1.00 0.00 C ATOM 887 C ILE A 60 11.433 2.956 -7.056 1.00 0.00 C ATOM 888 O ILE A 60 11.223 2.913 -8.268 1.00 0.00 O ATOM 889 CB ILE A 60 9.412 2.840 -5.448 1.00 0.00 C ATOM 890 CG1 ILE A 60 9.838 2.544 -3.996 1.00 0.00 C ATOM 891 CG2 ILE A 60 9.187 1.514 -6.201 1.00 0.00 C ATOM 892 CD1 ILE A 60 8.778 3.072 -3.024 1.00 0.00 C ATOM 0 H ILE A 60 8.851 4.547 -7.188 1.00 0.00 H new ATOM 0 HA ILE A 60 11.091 4.185 -5.345 1.00 0.00 H new ATOM 0 HB ILE A 60 8.468 3.385 -5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.968 1.471 -3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.800 3.012 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.434 0.923 -5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.845 1.725 -7.214 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.122 0.956 -6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.085 2.860 -2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.669 4.149 -3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.824 2.584 -3.225 1.00 0.00 H new ATOM 904 N PRO A 61 12.490 2.333 -6.506 1.00 0.00 N ATOM 905 CA PRO A 61 13.448 1.569 -7.324 1.00 0.00 C ATOM 906 C PRO A 61 12.962 0.157 -7.641 1.00 0.00 C ATOM 907 O PRO A 61 11.791 -0.172 -7.448 1.00 0.00 O ATOM 908 CB PRO A 61 14.685 1.539 -6.434 1.00 0.00 C ATOM 909 CG PRO A 61 14.210 1.737 -4.999 1.00 0.00 C ATOM 910 CD PRO A 61 12.802 2.341 -5.058 1.00 0.00 C ATOM 0 HA PRO A 61 13.613 2.017 -8.304 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.211 0.590 -6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.384 2.325 -6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.197 0.787 -4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.888 2.397 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.086 1.749 -4.489 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.779 3.350 -4.647 1.00 0.00 H new ATOM 918 N ASP A 62 13.875 -0.670 -8.140 1.00 0.00 N ATOM 919 CA ASP A 62 13.537 -2.046 -8.496 1.00 0.00 C ATOM 920 C ASP A 62 13.912 -3.031 -7.382 1.00 0.00 C ATOM 921 O ASP A 62 13.542 -4.201 -7.433 1.00 0.00 O ATOM 922 CB ASP A 62 14.268 -2.451 -9.782 1.00 0.00 C ATOM 923 CG ASP A 62 13.348 -2.252 -10.982 1.00 0.00 C ATOM 924 OD1 ASP A 62 12.708 -1.216 -11.047 1.00 0.00 O ATOM 925 OD2 ASP A 62 13.297 -3.139 -11.817 1.00 0.00 O ATOM 0 H ASP A 62 14.848 -0.415 -8.307 1.00 0.00 H new ATOM 0 HA ASP A 62 12.458 -2.086 -8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.172 -1.853 -9.902 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.581 -3.493 -9.721 1.00 0.00 H new ATOM 930 N ASP A 63 14.659 -2.561 -6.384 1.00 0.00 N ATOM 931 CA ASP A 63 15.070 -3.434 -5.288 1.00 0.00 C ATOM 932 C ASP A 63 13.909 -3.699 -4.331 1.00 0.00 C ATOM 933 O ASP A 63 13.560 -4.848 -4.058 1.00 0.00 O ATOM 934 CB ASP A 63 16.222 -2.800 -4.505 1.00 0.00 C ATOM 935 CG ASP A 63 17.118 -3.897 -3.940 1.00 0.00 C ATOM 936 OD1 ASP A 63 16.715 -4.527 -2.977 1.00 0.00 O ATOM 937 OD2 ASP A 63 18.196 -4.089 -4.479 1.00 0.00 O ATOM 0 H ASP A 63 14.987 -1.598 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 63 15.395 -4.378 -5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.800 -2.143 -5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.830 -2.183 -3.696 1.00 0.00 H new ATOM 942 N VAL A 64 13.322 -2.622 -3.815 1.00 0.00 N ATOM 943 CA VAL A 64 12.210 -2.747 -2.873 1.00 0.00 C ATOM 944 C VAL A 64 10.935 -3.221 -3.579 1.00 0.00 C ATOM 945 O VAL A 64 10.224 -4.095 -3.081 1.00 0.00 O ATOM 946 CB VAL A 64 11.954 -1.402 -2.173 1.00 0.00 C ATOM 947 CG1 VAL A 64 11.519 -0.345 -3.192 1.00 0.00 C ATOM 948 CG2 VAL A 64 10.860 -1.568 -1.111 1.00 0.00 C ATOM 0 H VAL A 64 13.593 -1.662 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 64 12.483 -3.494 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 64 12.879 -1.076 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.342 0.601 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.303 -0.214 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.602 -0.669 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.683 -0.612 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.940 -1.907 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.179 -2.303 -0.372 1.00 0.00 H new ATOM 958 N ALA A 65 10.650 -2.628 -4.732 1.00 0.00 N ATOM 959 CA ALA A 65 9.450 -2.991 -5.487 1.00 0.00 C ATOM 960 C ALA A 65 9.626 -4.343 -6.175 1.00 0.00 C ATOM 961 O ALA A 65 8.659 -5.071 -6.392 1.00 0.00 O ATOM 962 CB ALA A 65 9.143 -1.930 -6.546 1.00 0.00 C ATOM 0 H ALA A 65 11.223 -1.903 -5.163 1.00 0.00 H new ATOM 0 HA ALA A 65 8.622 -3.054 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.248 -2.216 -7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.978 -0.968 -6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.984 -1.849 -7.235 1.00 0.00 H new ATOM 968 N GLY A 66 10.868 -4.670 -6.520 1.00 0.00 N ATOM 969 CA GLY A 66 11.147 -5.941 -7.186 1.00 0.00 C ATOM 970 C GLY A 66 11.001 -7.104 -6.211 1.00 0.00 C ATOM 971 O GLY A 66 10.611 -8.207 -6.592 1.00 0.00 O ATOM 0 H GLY A 66 11.686 -4.084 -6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.464 -6.075 -8.025 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.157 -5.928 -7.596 1.00 0.00 H new ATOM 975 N ARG A 67 11.317 -6.844 -4.946 1.00 0.00 N ATOM 976 CA ARG A 67 11.217 -7.878 -3.919 1.00 0.00 C ATOM 977 C ARG A 67 9.893 -7.754 -3.165 1.00 0.00 C ATOM 978 O ARG A 67 9.838 -7.904 -1.944 1.00 0.00 O ATOM 979 CB ARG A 67 12.377 -7.759 -2.927 1.00 0.00 C ATOM 980 CG ARG A 67 12.730 -9.147 -2.384 1.00 0.00 C ATOM 981 CD ARG A 67 11.972 -9.396 -1.077 1.00 0.00 C ATOM 982 NE ARG A 67 12.799 -10.150 -0.139 1.00 0.00 N ATOM 983 CZ ARG A 67 13.236 -11.371 -0.437 1.00 0.00 C ATOM 984 NH1 ARG A 67 12.430 -12.392 -0.348 1.00 0.00 N ATOM 985 NH2 ARG A 67 14.472 -11.546 -0.820 1.00 0.00 N ATOM 0 H ARG A 67 11.641 -5.937 -4.609 1.00 0.00 H new ATOM 0 HA ARG A 67 11.262 -8.850 -4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.245 -7.317 -3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.102 -7.095 -2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.472 -9.912 -3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.804 -9.219 -2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.682 -8.444 -0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.053 -9.945 -1.282 1.00 0.00 H new ATOM 0 HE ARG A 67 13.046 -9.734 0.759 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.464 -12.255 -0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.765 -13.328 -0.577 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.102 -10.747 -0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.807 -12.482 -1.049 1.00 0.00 H new ATOM 999 N VAL A 68 8.823 -7.479 -3.909 1.00 0.00 N ATOM 1000 CA VAL A 68 7.504 -7.338 -3.297 1.00 0.00 C ATOM 1001 C VAL A 68 6.689 -8.623 -3.483 1.00 0.00 C ATOM 1002 O VAL A 68 6.113 -8.874 -4.542 1.00 0.00 O ATOM 1003 CB VAL A 68 6.754 -6.129 -3.892 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.455 -6.344 -5.380 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.440 -5.924 -3.138 1.00 0.00 C ATOM 0 H VAL A 68 8.842 -7.351 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 68 7.637 -7.164 -2.229 1.00 0.00 H new ATOM 0 HB VAL A 68 7.388 -5.248 -3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.926 -5.476 -5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.390 -6.476 -5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.836 -7.233 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.909 -5.070 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.823 -6.817 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.650 -5.739 -2.085 1.00 0.00 H new ATOM 1015 N ASP A 69 6.655 -9.440 -2.435 1.00 0.00 N ATOM 1016 CA ASP A 69 5.914 -10.699 -2.491 1.00 0.00 C ATOM 1017 C ASP A 69 4.534 -10.561 -1.843 1.00 0.00 C ATOM 1018 O ASP A 69 3.884 -11.559 -1.534 1.00 0.00 O ATOM 1019 CB ASP A 69 6.688 -11.803 -1.771 1.00 0.00 C ATOM 1020 CG ASP A 69 7.015 -11.353 -0.351 1.00 0.00 C ATOM 1021 OD1 ASP A 69 8.023 -10.690 -0.178 1.00 0.00 O ATOM 1022 OD2 ASP A 69 6.251 -11.679 0.544 1.00 0.00 O ATOM 0 H ASP A 69 7.124 -9.259 -1.548 1.00 0.00 H new ATOM 0 HA ASP A 69 5.788 -10.957 -3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.098 -12.719 -1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.606 -12.030 -2.312 1.00 0.00 H new ATOM 1027 N THR A 70 4.088 -9.321 -1.640 1.00 0.00 N ATOM 1028 CA THR A 70 2.783 -9.086 -1.030 1.00 0.00 C ATOM 1029 C THR A 70 2.080 -7.909 -1.712 1.00 0.00 C ATOM 1030 O THR A 70 2.740 -7.014 -2.241 1.00 0.00 O ATOM 1031 CB THR A 70 2.936 -8.783 0.462 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.199 -8.175 0.693 1.00 0.00 O ATOM 1033 CG2 THR A 70 2.841 -10.084 1.261 1.00 0.00 C ATOM 0 H THR A 70 4.604 -8.476 -1.886 1.00 0.00 H new ATOM 0 HA THR A 70 2.184 -9.988 -1.155 1.00 0.00 H new ATOM 0 HB THR A 70 2.143 -8.106 0.779 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.338 -8.066 1.657 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.950 -9.867 2.324 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.872 -10.550 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.633 -10.763 0.946 1.00 0.00 H new ATOM 1041 N PRO A 71 0.738 -7.886 -1.709 1.00 0.00 N ATOM 1042 CA PRO A 71 -0.022 -6.790 -2.337 1.00 0.00 C ATOM 1043 C PRO A 71 -0.119 -5.563 -1.437 1.00 0.00 C ATOM 1044 O PRO A 71 0.187 -4.444 -1.850 1.00 0.00 O ATOM 1045 CB PRO A 71 -1.393 -7.418 -2.541 1.00 0.00 C ATOM 1046 CG PRO A 71 -1.523 -8.546 -1.524 1.00 0.00 C ATOM 1047 CD PRO A 71 -0.106 -8.934 -1.088 1.00 0.00 C ATOM 0 HA PRO A 71 0.444 -6.425 -3.252 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.181 -6.678 -2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.494 -7.801 -3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.114 -8.224 -0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.038 -9.401 -1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.006 -8.941 -0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.165 -9.930 -1.439 1.00 0.00 H new ATOM 1055 N ARG A 72 -0.547 -5.790 -0.196 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.686 -4.703 0.774 1.00 0.00 C ATOM 1057 C ARG A 72 0.636 -3.957 0.951 1.00 0.00 C ATOM 1058 O ARG A 72 0.654 -2.771 1.278 1.00 0.00 O ATOM 1059 CB ARG A 72 -1.129 -5.255 2.131 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.970 -4.206 2.863 1.00 0.00 C ATOM 1061 CD ARG A 72 -3.456 -4.484 2.627 1.00 0.00 C ATOM 1062 NE ARG A 72 -4.245 -4.071 3.785 1.00 0.00 N ATOM 1063 CZ ARG A 72 -5.393 -4.672 4.082 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -5.436 -5.970 4.216 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -6.478 -3.965 4.240 1.00 0.00 N ATOM 0 H ARG A 72 -0.802 -6.711 0.161 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.438 -4.013 0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.708 -6.168 1.992 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.257 -5.519 2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.750 -4.229 3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.715 -3.208 2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.795 -3.950 1.739 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.607 -5.547 2.437 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.910 -3.309 4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.588 -6.524 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.317 -6.430 4.444 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.446 -2.951 4.136 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.359 -4.426 4.468 1.00 0.00 H new ATOM 1079 N GLU A 73 1.742 -4.664 0.731 1.00 0.00 N ATOM 1080 CA GLU A 73 3.063 -4.055 0.869 1.00 0.00 C ATOM 1081 C GLU A 73 3.273 -2.989 -0.201 1.00 0.00 C ATOM 1082 O GLU A 73 3.829 -1.923 0.064 1.00 0.00 O ATOM 1083 CB GLU A 73 4.156 -5.117 0.737 1.00 0.00 C ATOM 1084 CG GLU A 73 5.494 -4.532 1.196 1.00 0.00 C ATOM 1085 CD GLU A 73 5.671 -4.779 2.690 1.00 0.00 C ATOM 1086 OE1 GLU A 73 5.463 -5.904 3.114 1.00 0.00 O ATOM 1087 OE2 GLU A 73 6.014 -3.839 3.388 1.00 0.00 O ATOM 0 H GLU A 73 1.751 -5.647 0.460 1.00 0.00 H new ATOM 0 HA GLU A 73 3.121 -3.595 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.904 -5.991 1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.229 -5.452 -0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.313 -4.990 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.526 -3.463 0.987 1.00 0.00 H new ATOM 1094 N LEU A 74 2.824 -3.291 -1.416 1.00 0.00 N ATOM 1095 CA LEU A 74 2.968 -2.355 -2.528 1.00 0.00 C ATOM 1096 C LEU A 74 2.111 -1.111 -2.294 1.00 0.00 C ATOM 1097 O LEU A 74 2.519 0.008 -2.606 1.00 0.00 O ATOM 1098 CB LEU A 74 2.550 -3.019 -3.844 1.00 0.00 C ATOM 1099 CG LEU A 74 3.454 -2.532 -4.979 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.726 -3.382 -5.018 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.713 -2.665 -6.312 1.00 0.00 C ATOM 0 H LEU A 74 2.361 -4.168 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 74 4.016 -2.062 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.617 -4.103 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.510 -2.782 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 74 3.719 -1.488 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.370 -3.036 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.254 -3.291 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.461 -4.426 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.355 -2.319 -7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.450 -3.709 -6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.805 -2.062 -6.286 1.00 0.00 H new ATOM 1113 N LEU A 75 0.919 -1.317 -1.731 1.00 0.00 N ATOM 1114 CA LEU A 75 0.009 -0.202 -1.450 1.00 0.00 C ATOM 1115 C LEU A 75 0.682 0.807 -0.523 1.00 0.00 C ATOM 1116 O LEU A 75 0.739 1.997 -0.822 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.282 -0.724 -0.795 1.00 0.00 C ATOM 1118 CG LEU A 75 -2.261 0.430 -0.517 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -3.142 0.675 -1.742 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -3.149 0.060 0.672 1.00 0.00 C ATOM 0 H LEU A 75 0.563 -2.234 -1.463 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.240 0.289 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.755 -1.458 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.041 -1.235 0.137 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.695 1.334 -0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.832 1.493 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.515 0.935 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.708 -0.228 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.845 0.874 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.708 -0.846 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.527 -0.112 1.551 1.00 0.00 H new ATOM 1132 N ASP A 76 1.186 0.318 0.604 1.00 0.00 N ATOM 1133 CA ASP A 76 1.853 1.185 1.573 1.00 0.00 C ATOM 1134 C ASP A 76 3.121 1.798 0.976 1.00 0.00 C ATOM 1135 O ASP A 76 3.580 2.852 1.417 1.00 0.00 O ATOM 1136 CB ASP A 76 2.227 0.393 2.827 1.00 0.00 C ATOM 1137 CG ASP A 76 2.366 1.347 4.008 1.00 0.00 C ATOM 1138 OD1 ASP A 76 1.419 2.068 4.276 1.00 0.00 O ATOM 1139 OD2 ASP A 76 3.417 1.342 4.629 1.00 0.00 O ATOM 0 H ASP A 76 1.147 -0.666 0.870 1.00 0.00 H new ATOM 0 HA ASP A 76 1.159 1.984 1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.463 -0.356 3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.163 -0.143 2.666 1.00 0.00 H new ATOM 1144 N LEU A 77 3.691 1.125 -0.023 1.00 0.00 N ATOM 1145 CA LEU A 77 4.912 1.614 -0.660 1.00 0.00 C ATOM 1146 C LEU A 77 4.672 2.954 -1.355 1.00 0.00 C ATOM 1147 O LEU A 77 5.256 3.974 -0.987 1.00 0.00 O ATOM 1148 CB LEU A 77 5.415 0.602 -1.691 1.00 0.00 C ATOM 1149 CG LEU A 77 6.944 0.626 -1.730 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.498 -0.207 -0.573 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.428 0.039 -3.057 1.00 0.00 C ATOM 0 H LEU A 77 3.332 0.250 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 77 5.660 1.749 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.063 -0.398 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.012 0.840 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 77 7.294 1.654 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.587 -0.190 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.153 0.210 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.149 -1.235 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.517 0.055 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.078 -0.989 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.034 0.632 -3.882 1.00 0.00 H new ATOM 1163 N ILE A 78 3.810 2.939 -2.369 1.00 0.00 N ATOM 1164 CA ILE A 78 3.504 4.159 -3.118 1.00 0.00 C ATOM 1165 C ILE A 78 2.887 5.213 -2.195 1.00 0.00 C ATOM 1166 O ILE A 78 3.084 6.414 -2.378 1.00 0.00 O ATOM 1167 CB ILE A 78 2.531 3.841 -4.266 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.197 2.860 -5.240 1.00 0.00 C ATOM 1169 CG2 ILE A 78 2.160 5.126 -5.018 1.00 0.00 C ATOM 1170 CD1 ILE A 78 2.730 1.432 -4.941 1.00 0.00 C ATOM 0 H ILE A 78 3.315 2.107 -2.690 1.00 0.00 H new ATOM 0 HA ILE A 78 4.432 4.554 -3.531 1.00 0.00 H new ATOM 0 HB ILE A 78 1.626 3.397 -3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.946 3.127 -6.267 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.281 2.924 -5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.471 4.887 -5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.684 5.825 -4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.061 5.579 -5.430 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.206 0.740 -5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.003 1.166 -3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.648 1.372 -5.054 1.00 0.00 H new ATOM 1182 N ASN A 79 2.128 4.744 -1.213 1.00 0.00 N ATOM 1183 CA ASN A 79 1.460 5.635 -0.262 1.00 0.00 C ATOM 1184 C ASN A 79 2.455 6.589 0.403 1.00 0.00 C ATOM 1185 O ASN A 79 2.271 7.806 0.390 1.00 0.00 O ATOM 1186 CB ASN A 79 0.759 4.813 0.827 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.599 5.427 1.147 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.679 6.509 1.727 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -1.682 4.790 0.797 1.00 0.00 N ATOM 0 H ASN A 79 1.957 3.752 -1.051 1.00 0.00 H new ATOM 0 HA ASN A 79 0.729 6.221 -0.819 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.633 3.783 0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.375 4.783 1.726 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.598 5.189 1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.613 3.893 0.316 1.00 0.00 H new ATOM 1196 N GLY A 80 3.503 6.020 0.990 1.00 0.00 N ATOM 1197 CA GLY A 80 4.518 6.824 1.669 1.00 0.00 C ATOM 1198 C GLY A 80 5.276 7.704 0.681 1.00 0.00 C ATOM 1199 O GLY A 80 5.540 8.877 0.947 1.00 0.00 O ATOM 0 H GLY A 80 3.673 5.014 1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.044 7.448 2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.218 6.169 2.188 1.00 0.00 H new ATOM 1203 N ALA A 81 5.630 7.124 -0.463 1.00 0.00 N ATOM 1204 CA ALA A 81 6.367 7.864 -1.488 1.00 0.00 C ATOM 1205 C ALA A 81 5.598 9.108 -1.935 1.00 0.00 C ATOM 1206 O ALA A 81 6.188 10.079 -2.409 1.00 0.00 O ATOM 1207 CB ALA A 81 6.624 6.977 -2.707 1.00 0.00 C ATOM 0 H ALA A 81 5.422 6.155 -0.704 1.00 0.00 H new ATOM 0 HA ALA A 81 7.316 8.172 -1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.173 7.543 -3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.210 6.108 -2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.672 6.647 -3.124 1.00 0.00 H new ATOM 1213 N LEU A 82 4.275 9.070 -1.783 1.00 0.00 N ATOM 1214 CA LEU A 82 3.442 10.203 -2.180 1.00 0.00 C ATOM 1215 C LEU A 82 3.282 11.188 -1.025 1.00 0.00 C ATOM 1216 O LEU A 82 3.123 12.390 -1.235 1.00 0.00 O ATOM 1217 CB LEU A 82 2.058 9.719 -2.619 1.00 0.00 C ATOM 1218 CG LEU A 82 2.141 9.154 -4.038 1.00 0.00 C ATOM 1219 CD1 LEU A 82 1.121 8.024 -4.199 1.00 0.00 C ATOM 1220 CD2 LEU A 82 1.832 10.264 -5.045 1.00 0.00 C ATOM 0 H LEU A 82 3.763 8.279 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 82 3.935 10.704 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.694 8.955 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.345 10.543 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 82 3.144 8.766 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.180 7.622 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.337 7.233 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.118 8.411 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.891 9.864 -6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.829 10.650 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.556 11.070 -4.931 1.00 0.00 H new ATOM 1232 N ALA A 83 3.323 10.666 0.199 1.00 0.00 N ATOM 1233 CA ALA A 83 3.178 11.510 1.382 1.00 0.00 C ATOM 1234 C ALA A 83 4.303 12.540 1.447 1.00 0.00 C ATOM 1235 O ALA A 83 4.119 13.651 1.944 1.00 0.00 O ATOM 1236 CB ALA A 83 3.207 10.660 2.653 1.00 0.00 C ATOM 0 H ALA A 83 3.454 9.674 0.396 1.00 0.00 H new ATOM 0 HA ALA A 83 2.220 12.024 1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.098 11.305 3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.388 9.941 2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.156 10.127 2.713 1.00 0.00 H new ATOM 1242 N GLU A 84 5.472 12.156 0.939 1.00 0.00 N ATOM 1243 CA GLU A 84 6.623 13.054 0.945 1.00 0.00 C ATOM 1244 C GLU A 84 6.412 14.198 -0.044 1.00 0.00 C ATOM 1245 O GLU A 84 6.311 15.362 0.343 1.00 0.00 O ATOM 1246 CB GLU A 84 7.898 12.296 0.566 1.00 0.00 C ATOM 1247 CG GLU A 84 9.114 13.017 1.151 1.00 0.00 C ATOM 1248 CD GLU A 84 9.626 14.045 0.147 1.00 0.00 C ATOM 1249 OE1 GLU A 84 9.076 15.133 0.111 1.00 0.00 O ATOM 1250 OE2 GLU A 84 10.561 13.728 -0.571 1.00 0.00 O ATOM 0 H GLU A 84 5.646 11.241 0.523 1.00 0.00 H new ATOM 0 HA GLU A 84 6.728 13.458 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.852 11.274 0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.987 12.232 -0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.844 13.509 2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.899 12.298 1.384 1.00 0.00 H new ATOM 1257 N ALA A 85 6.346 13.851 -1.327 1.00 0.00 N ATOM 1258 CA ALA A 85 6.146 14.857 -2.367 1.00 0.00 C ATOM 1259 C ALA A 85 4.697 15.336 -2.372 1.00 0.00 C ATOM 1260 O ALA A 85 4.412 16.497 -2.080 1.00 0.00 O ATOM 1261 CB ALA A 85 6.485 14.281 -3.743 1.00 0.00 C ATOM 0 H ALA A 85 6.427 12.893 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 85 6.807 15.697 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.330 15.045 -4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.527 13.961 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.840 13.427 -3.949 1.00 0.00 H new ATOM 1267 N ALA A 86 3.784 14.426 -2.706 1.00 0.00 N ATOM 1268 CA ALA A 86 2.362 14.761 -2.747 1.00 0.00 C ATOM 1269 C ALA A 86 2.102 15.870 -3.763 1.00 0.00 C ATOM 1270 O ALA A 86 3.045 16.278 -4.420 1.00 0.00 O ATOM 1271 CB ALA A 86 1.878 15.223 -1.371 1.00 0.00 C ATOM 1272 OXT ALA A 86 0.964 16.295 -3.868 1.00 0.00 O ATOM 0 H ALA A 86 4.000 13.460 -2.950 1.00 0.00 H new ATOM 0 HA ALA A 86 1.816 13.864 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.817 15.468 -1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.032 14.425 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.440 16.106 -1.065 1.00 0.00 H new TER 1278 ALA A 86