USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 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 13 TYR OH : rot -167:sc= -7.29! USER MOD Set 1.2: A 34 THR OG1 : rot 120:sc= 1.08! USER MOD Set 2.1: A 0 MET N :NH3+ -164:sc= 0.311! (180deg=-0.575) USER MOD Set 2.2: A 74 SER OG : rot 150:sc= -0.521 USER MOD Single : A 0 MET CE :methyl -164:sc= -0.636 (180deg=-0.669) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 170:sc= -1.24! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.121) USER MOD Single : A 21 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.7e-05) USER MOD Single : A 22 GLN : amide:sc= -2.24 X(o=-2.2,f=-2.4!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.586 USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -1.24 (180deg=-1.42) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 38 SER OG : rot -34:sc= 0.796 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 120:sc= -1.88! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.68 K(o=-1.7,f=-0.55) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 8.286 14.132 4.681 1.00 0.00 N ATOM 2 CA MET A 0 7.625 13.024 3.934 1.00 0.00 C ATOM 3 C MET A 0 8.521 11.784 3.968 1.00 0.00 C ATOM 4 O MET A 0 9.719 11.872 3.790 1.00 0.00 O ATOM 5 CB MET A 0 7.397 13.444 2.478 1.00 0.00 C ATOM 6 CG MET A 0 7.246 14.965 2.395 1.00 0.00 C ATOM 7 SD MET A 0 5.976 15.509 3.565 1.00 0.00 S ATOM 8 CE MET A 0 6.796 17.031 4.098 1.00 0.00 C ATOM 0 H1 MET A 0 7.587 14.872 4.894 1.00 0.00 H new ATOM 0 H2 MET A 0 8.683 13.764 5.569 1.00 0.00 H new ATOM 0 H3 MET A 0 9.050 14.534 4.101 1.00 0.00 H new ATOM 0 HA MET A 0 6.665 12.798 4.399 1.00 0.00 H new ATOM 0 HB2 MET A 0 8.234 13.118 1.861 1.00 0.00 H new ATOM 0 HB3 MET A 0 6.503 12.959 2.085 1.00 0.00 H new ATOM 0 HG2 MET A 0 8.196 15.449 2.622 1.00 0.00 H new ATOM 0 HG3 MET A 0 6.973 15.259 1.382 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.336 17.389 5.019 1.00 0.00 H new ATOM 0 HE2 MET A 0 7.853 16.832 4.274 1.00 0.00 H new ATOM 0 HE3 MET A 0 6.693 17.790 3.323 1.00 0.00 H new ATOM 18 N LYS A 1 7.954 10.630 4.196 1.00 0.00 N ATOM 19 CA LYS A 1 8.780 9.393 4.242 1.00 0.00 C ATOM 20 C LYS A 1 9.789 9.510 5.385 1.00 0.00 C ATOM 21 O LYS A 1 10.151 10.594 5.794 1.00 0.00 O ATOM 22 CB LYS A 1 9.484 9.221 2.886 1.00 0.00 C ATOM 23 CG LYS A 1 10.999 9.459 2.996 1.00 0.00 C ATOM 24 CD LYS A 1 11.638 9.376 1.606 1.00 0.00 C ATOM 25 CE LYS A 1 11.271 10.619 0.794 1.00 0.00 C ATOM 26 NZ LYS A 1 11.223 10.269 -0.654 1.00 0.00 N ATOM 0 H LYS A 1 6.955 10.492 4.352 1.00 0.00 H new ATOM 0 HA LYS A 1 8.160 8.516 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 1 9.300 8.216 2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 1 9.058 9.918 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 1 11.192 10.437 3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 1 11.446 8.717 3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 1 12.721 9.297 1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 1 11.295 8.479 1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 1 10.305 11.006 1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 1 12.004 11.408 0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 10.974 11.114 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 12.154 9.919 -0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 10.508 9.530 -0.809 1.00 0.00 H new ATOM 40 N SER A 2 10.250 8.409 5.904 1.00 0.00 N ATOM 41 CA SER A 2 11.227 8.491 7.014 1.00 0.00 C ATOM 42 C SER A 2 12.542 7.848 6.558 1.00 0.00 C ATOM 43 O SER A 2 12.612 7.303 5.474 1.00 0.00 O ATOM 44 CB SER A 2 10.651 7.763 8.234 1.00 0.00 C ATOM 45 OG SER A 2 11.240 6.476 8.343 1.00 0.00 O ATOM 0 H SER A 2 9.994 7.466 5.610 1.00 0.00 H new ATOM 0 HA SER A 2 11.421 9.528 7.288 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.844 8.340 9.139 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.569 7.672 8.138 1.00 0.00 H new ATOM 0 HG SER A 2 10.996 6.077 9.204 1.00 0.00 H new ATOM 51 N PRO A 3 13.548 7.933 7.391 1.00 0.00 N ATOM 52 CA PRO A 3 14.877 7.368 7.081 1.00 0.00 C ATOM 53 C PRO A 3 14.785 5.868 6.766 1.00 0.00 C ATOM 54 O PRO A 3 15.747 5.262 6.341 1.00 0.00 O ATOM 55 CB PRO A 3 15.709 7.604 8.349 1.00 0.00 C ATOM 56 CG PRO A 3 14.830 8.399 9.348 1.00 0.00 C ATOM 57 CD PRO A 3 13.449 8.595 8.706 1.00 0.00 C ATOM 0 HA PRO A 3 15.319 7.835 6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.020 6.654 8.785 1.00 0.00 H new ATOM 0 HB3 PRO A 3 16.617 8.159 8.113 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.740 7.859 10.291 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.286 9.363 9.575 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.663 8.149 9.315 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.209 9.653 8.599 1.00 0.00 H new ATOM 65 N GLU A 4 13.647 5.261 6.971 1.00 0.00 N ATOM 66 CA GLU A 4 13.520 3.811 6.680 1.00 0.00 C ATOM 67 C GLU A 4 12.167 3.308 7.187 1.00 0.00 C ATOM 68 O GLU A 4 12.096 2.365 7.947 1.00 0.00 O ATOM 69 CB GLU A 4 14.645 3.052 7.390 1.00 0.00 C ATOM 70 CG GLU A 4 14.811 3.601 8.809 1.00 0.00 C ATOM 71 CD GLU A 4 16.076 3.016 9.444 1.00 0.00 C ATOM 72 OE1 GLU A 4 16.848 2.402 8.727 1.00 0.00 O ATOM 73 OE2 GLU A 4 16.250 3.194 10.639 1.00 0.00 O ATOM 0 H GLU A 4 12.803 5.709 7.327 1.00 0.00 H new ATOM 0 HA GLU A 4 13.590 3.646 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.415 1.987 7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.577 3.159 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.875 4.689 8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.939 3.347 9.412 1.00 0.00 H new ATOM 80 N GLU A 5 11.090 3.922 6.772 1.00 0.00 N ATOM 81 CA GLU A 5 9.757 3.456 7.238 1.00 0.00 C ATOM 82 C GLU A 5 9.017 2.812 6.071 1.00 0.00 C ATOM 83 O GLU A 5 8.148 1.983 6.252 1.00 0.00 O ATOM 84 CB GLU A 5 8.957 4.627 7.778 1.00 0.00 C ATOM 85 CG GLU A 5 8.715 4.429 9.276 1.00 0.00 C ATOM 86 CD GLU A 5 7.790 3.228 9.489 1.00 0.00 C ATOM 87 OE1 GLU A 5 8.008 2.216 8.844 1.00 0.00 O ATOM 88 OE2 GLU A 5 6.880 3.343 10.294 1.00 0.00 O ATOM 0 H GLU A 5 11.078 4.719 6.136 1.00 0.00 H new ATOM 0 HA GLU A 5 9.885 2.725 8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.494 5.559 7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.006 4.705 7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.662 4.268 9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.268 5.326 9.705 1.00 0.00 H new ATOM 95 N LEU A 6 9.355 3.195 4.872 1.00 0.00 N ATOM 96 CA LEU A 6 8.677 2.613 3.686 1.00 0.00 C ATOM 97 C LEU A 6 8.893 1.105 3.674 1.00 0.00 C ATOM 98 O LEU A 6 8.010 0.341 3.344 1.00 0.00 O ATOM 99 CB LEU A 6 9.278 3.170 2.396 1.00 0.00 C ATOM 100 CG LEU A 6 8.180 3.555 1.414 1.00 0.00 C ATOM 101 CD1 LEU A 6 8.710 3.419 -0.019 1.00 0.00 C ATOM 102 CD2 LEU A 6 6.952 2.653 1.562 1.00 0.00 C ATOM 0 H LEU A 6 10.074 3.888 4.664 1.00 0.00 H new ATOM 0 HA LEU A 6 7.617 2.862 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.893 4.041 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.933 2.426 1.943 1.00 0.00 H new ATOM 0 HG LEU A 6 7.888 4.583 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.926 3.694 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.567 4.078 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.014 2.388 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.189 2.957 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.236 1.618 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.556 2.741 2.574 1.00 0.00 H new ATOM 114 N LYS A 7 10.074 0.672 4.014 1.00 0.00 N ATOM 115 CA LYS A 7 10.358 -0.789 3.999 1.00 0.00 C ATOM 116 C LYS A 7 9.595 -1.474 5.131 1.00 0.00 C ATOM 117 O LYS A 7 9.440 -2.676 5.145 1.00 0.00 O ATOM 118 CB LYS A 7 11.859 -1.019 4.184 1.00 0.00 C ATOM 119 CG LYS A 7 12.317 -2.153 3.265 1.00 0.00 C ATOM 120 CD LYS A 7 13.777 -2.502 3.565 1.00 0.00 C ATOM 121 CE LYS A 7 14.531 -2.719 2.251 1.00 0.00 C ATOM 122 NZ LYS A 7 15.964 -3.015 2.537 1.00 0.00 N ATOM 0 H LYS A 7 10.853 1.265 4.301 1.00 0.00 H new ATOM 0 HA LYS A 7 10.040 -1.208 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.409 -0.106 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.074 -1.269 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.686 -3.030 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.211 -1.854 2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.244 -1.699 4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.828 -3.401 4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.083 -3.543 1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.451 -1.831 1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.473 -3.162 1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.388 -2.216 3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.032 -3.874 3.119 1.00 0.00 H new ATOM 136 N GLY A 8 9.126 -0.721 6.083 1.00 0.00 N ATOM 137 CA GLY A 8 8.384 -1.336 7.220 1.00 0.00 C ATOM 138 C GLY A 8 7.051 -1.917 6.740 1.00 0.00 C ATOM 139 O GLY A 8 6.723 -3.051 7.024 1.00 0.00 O ATOM 0 H GLY A 8 9.223 0.293 6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.988 -2.122 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.204 -0.588 7.992 1.00 0.00 H new ATOM 143 N ILE A 9 6.273 -1.151 6.029 1.00 0.00 N ATOM 144 CA ILE A 9 4.958 -1.672 5.556 1.00 0.00 C ATOM 145 C ILE A 9 5.178 -2.857 4.630 1.00 0.00 C ATOM 146 O ILE A 9 4.650 -3.922 4.829 1.00 0.00 O ATOM 147 CB ILE A 9 4.188 -0.560 4.828 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.124 -1.148 3.889 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.130 0.376 4.070 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.757 -1.648 2.602 1.00 0.00 C ATOM 0 H ILE A 9 6.487 -0.192 5.755 1.00 0.00 H new ATOM 0 HA ILE A 9 4.370 -2.001 6.413 1.00 0.00 H new ATOM 0 HB ILE A 9 3.679 0.033 5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.606 -1.968 4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.375 -0.390 3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.548 1.149 3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.823 0.841 4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.691 -0.194 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.984 -2.060 1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.254 -0.820 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.488 -2.423 2.833 1.00 0.00 H new ATOM 162 N PHE A 10 5.938 -2.674 3.610 1.00 0.00 N ATOM 163 CA PHE A 10 6.178 -3.792 2.666 1.00 0.00 C ATOM 164 C PHE A 10 6.443 -5.127 3.382 1.00 0.00 C ATOM 165 O PHE A 10 5.585 -5.978 3.462 1.00 0.00 O ATOM 166 CB PHE A 10 7.335 -3.448 1.729 1.00 0.00 C ATOM 167 CG PHE A 10 6.864 -3.319 0.307 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.560 -2.930 -0.017 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.757 -3.679 -0.701 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.160 -2.910 -1.363 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.365 -3.645 -2.030 1.00 0.00 C ATOM 172 CZ PHE A 10 6.075 -3.267 -2.368 1.00 0.00 C ATOM 0 H PHE A 10 6.409 -1.799 3.381 1.00 0.00 H new ATOM 0 HA PHE A 10 5.265 -3.924 2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.799 -2.514 2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.100 -4.222 1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.867 -2.647 0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.760 -3.986 -0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.153 -2.621 -1.625 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.067 -3.914 -2.805 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.773 -3.247 -3.405 1.00 0.00 H new ATOM 182 N GLU A 11 7.612 -5.339 3.898 1.00 0.00 N ATOM 183 CA GLU A 11 7.888 -6.642 4.586 1.00 0.00 C ATOM 184 C GLU A 11 6.750 -6.965 5.559 1.00 0.00 C ATOM 185 O GLU A 11 6.584 -8.087 5.990 1.00 0.00 O ATOM 186 CB GLU A 11 9.211 -6.571 5.354 1.00 0.00 C ATOM 187 CG GLU A 11 9.335 -5.221 6.062 1.00 0.00 C ATOM 188 CD GLU A 11 9.827 -5.435 7.494 1.00 0.00 C ATOM 189 OE1 GLU A 11 10.330 -6.512 7.772 1.00 0.00 O ATOM 190 OE2 GLU A 11 9.695 -4.519 8.288 1.00 0.00 O ATOM 0 H GLU A 11 8.390 -4.679 3.879 1.00 0.00 H new ATOM 0 HA GLU A 11 7.958 -7.426 3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.261 -7.379 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.047 -6.709 4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.029 -4.578 5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.370 -4.714 6.070 1.00 0.00 H new ATOM 197 N LYS A 12 5.973 -5.984 5.901 1.00 0.00 N ATOM 198 CA LYS A 12 4.831 -6.205 6.839 1.00 0.00 C ATOM 199 C LYS A 12 3.621 -6.731 6.057 1.00 0.00 C ATOM 200 O LYS A 12 3.368 -7.914 6.016 1.00 0.00 O ATOM 201 CB LYS A 12 4.476 -4.890 7.545 1.00 0.00 C ATOM 202 CG LYS A 12 3.418 -5.153 8.621 1.00 0.00 C ATOM 203 CD LYS A 12 4.109 -5.454 9.953 1.00 0.00 C ATOM 204 CE LYS A 12 3.201 -5.029 11.110 1.00 0.00 C ATOM 205 NZ LYS A 12 2.409 -6.202 11.579 1.00 0.00 N ATOM 0 H LYS A 12 6.076 -5.025 5.570 1.00 0.00 H new ATOM 0 HA LYS A 12 5.115 -6.940 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.368 -4.456 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.101 -4.167 6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.766 -4.286 8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.787 -5.992 8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.333 -6.518 10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.059 -4.923 10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.800 -4.631 11.929 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.532 -4.231 10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.792 -5.913 12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.826 -6.563 10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.055 -6.950 11.903 1.00 0.00 H new ATOM 219 N TYR A 13 2.868 -5.860 5.436 1.00 0.00 N ATOM 220 CA TYR A 13 1.680 -6.310 4.662 1.00 0.00 C ATOM 221 C TYR A 13 2.115 -6.843 3.296 1.00 0.00 C ATOM 222 O TYR A 13 1.499 -7.740 2.755 1.00 0.00 O ATOM 223 CB TYR A 13 0.729 -5.132 4.467 1.00 0.00 C ATOM 224 CG TYR A 13 0.492 -4.480 5.801 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.387 -3.515 6.267 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.607 -4.854 6.581 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.189 -2.923 7.514 1.00 0.00 C ATOM 228 CE2 TYR A 13 -0.808 -4.259 7.829 1.00 0.00 C ATOM 229 CZ TYR A 13 0.092 -3.293 8.296 1.00 0.00 C ATOM 230 OH TYR A 13 -0.097 -2.716 9.528 1.00 0.00 O ATOM 0 H TYR A 13 3.028 -4.853 5.434 1.00 0.00 H new ATOM 0 HA TYR A 13 1.176 -7.105 5.211 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.155 -4.414 3.766 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.214 -5.474 4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.233 -3.227 5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.298 -5.601 6.220 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.883 -2.179 7.875 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.657 -4.544 8.433 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.779 -3.217 10.022 1.00 0.00 H new ATOM 240 N ALA A 14 3.167 -6.317 2.725 1.00 0.00 N ATOM 241 CA ALA A 14 3.597 -6.845 1.397 1.00 0.00 C ATOM 242 C ALA A 14 3.990 -8.318 1.570 1.00 0.00 C ATOM 243 O ALA A 14 4.087 -9.060 0.612 1.00 0.00 O ATOM 244 CB ALA A 14 4.798 -6.040 0.848 1.00 0.00 C ATOM 0 H ALA A 14 3.735 -5.562 3.110 1.00 0.00 H new ATOM 0 HA ALA A 14 2.778 -6.751 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.094 -6.443 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.513 -4.994 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.634 -6.115 1.543 1.00 0.00 H new ATOM 250 N ASP A 15 4.245 -8.741 2.791 1.00 0.00 N ATOM 251 CA ASP A 15 4.659 -10.151 3.032 1.00 0.00 C ATOM 252 C ASP A 15 3.421 -11.040 3.228 1.00 0.00 C ATOM 253 O ASP A 15 3.491 -12.249 3.147 1.00 0.00 O ATOM 254 CB ASP A 15 5.546 -10.212 4.289 1.00 0.00 C ATOM 255 CG ASP A 15 4.719 -10.487 5.556 1.00 0.00 C ATOM 256 OD1 ASP A 15 3.552 -10.137 5.575 1.00 0.00 O ATOM 257 OD2 ASP A 15 5.275 -11.047 6.487 1.00 0.00 O ATOM 0 H ASP A 15 4.182 -8.162 3.628 1.00 0.00 H new ATOM 0 HA ASP A 15 5.219 -10.513 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.296 -10.993 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.082 -9.270 4.402 1.00 0.00 H new ATOM 262 N LYS A 16 2.299 -10.438 3.515 1.00 0.00 N ATOM 263 CA LYS A 16 1.054 -11.215 3.750 1.00 0.00 C ATOM 264 C LYS A 16 0.663 -11.944 2.470 1.00 0.00 C ATOM 265 O LYS A 16 0.096 -13.018 2.497 1.00 0.00 O ATOM 266 CB LYS A 16 -0.034 -10.228 4.170 1.00 0.00 C ATOM 267 CG LYS A 16 -1.421 -10.751 3.804 1.00 0.00 C ATOM 268 CD LYS A 16 -1.866 -10.078 2.511 1.00 0.00 C ATOM 269 CE LYS A 16 -3.391 -9.942 2.501 1.00 0.00 C ATOM 270 NZ LYS A 16 -4.014 -11.296 2.539 1.00 0.00 N ATOM 0 H LYS A 16 2.193 -9.427 3.597 1.00 0.00 H new ATOM 0 HA LYS A 16 1.196 -11.961 4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.021 -10.056 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.135 -9.267 3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.397 -11.833 3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.129 -10.539 4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.403 -9.095 2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.537 -10.664 1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.720 -9.355 3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.713 -9.408 1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.026 -11.219 2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.549 -11.912 1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.902 -11.703 3.490 1.00 0.00 H new ATOM 284 N GLU A 17 0.972 -11.370 1.349 1.00 0.00 N ATOM 285 CA GLU A 17 0.628 -12.037 0.059 1.00 0.00 C ATOM 286 C GLU A 17 1.642 -13.152 -0.201 1.00 0.00 C ATOM 287 O GLU A 17 1.435 -14.015 -1.031 1.00 0.00 O ATOM 288 CB GLU A 17 0.682 -11.026 -1.093 1.00 0.00 C ATOM 289 CG GLU A 17 2.013 -10.273 -1.055 1.00 0.00 C ATOM 290 CD GLU A 17 2.292 -9.660 -2.429 1.00 0.00 C ATOM 291 OE1 GLU A 17 1.587 -8.734 -2.797 1.00 0.00 O ATOM 292 OE2 GLU A 17 3.204 -10.128 -3.091 1.00 0.00 O ATOM 0 H GLU A 17 1.446 -10.471 1.263 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.380 -12.446 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.571 -11.541 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.147 -10.323 -1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.979 -9.491 -0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.819 -10.952 -0.777 1.00 0.00 H new ATOM 299 N GLY A 18 2.736 -13.147 0.513 1.00 0.00 N ATOM 300 CA GLY A 18 3.762 -14.210 0.321 1.00 0.00 C ATOM 301 C GLY A 18 5.074 -13.581 -0.149 1.00 0.00 C ATOM 302 O GLY A 18 5.645 -13.991 -1.141 1.00 0.00 O ATOM 0 H GLY A 18 2.963 -12.450 1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.920 -14.749 1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.413 -14.937 -0.412 1.00 0.00 H new ATOM 306 N ASP A 19 5.567 -12.594 0.555 1.00 0.00 N ATOM 307 CA ASP A 19 6.848 -11.959 0.127 1.00 0.00 C ATOM 308 C ASP A 19 7.197 -10.749 0.997 1.00 0.00 C ATOM 309 O ASP A 19 8.004 -10.836 1.903 1.00 0.00 O ATOM 310 CB ASP A 19 6.739 -11.518 -1.335 1.00 0.00 C ATOM 311 CG ASP A 19 8.054 -11.820 -2.057 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.282 -12.975 -2.375 1.00 0.00 O ATOM 313 OD2 ASP A 19 8.813 -10.890 -2.278 1.00 0.00 O ATOM 0 H ASP A 19 5.144 -12.205 1.397 1.00 0.00 H new ATOM 0 HA ASP A 19 7.641 -12.698 0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.915 -12.039 -1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.518 -10.452 -1.389 1.00 0.00 H new ATOM 318 N GLY A 20 6.634 -9.613 0.702 1.00 0.00 N ATOM 319 CA GLY A 20 6.969 -8.380 1.471 1.00 0.00 C ATOM 320 C GLY A 20 7.560 -7.373 0.488 1.00 0.00 C ATOM 321 O GLY A 20 7.722 -6.207 0.794 1.00 0.00 O ATOM 0 H GLY A 20 5.951 -9.483 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.078 -7.972 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.682 -8.605 2.265 1.00 0.00 H new ATOM 325 N ASN A 21 7.891 -7.820 -0.699 1.00 0.00 N ATOM 326 CA ASN A 21 8.474 -6.909 -1.697 1.00 0.00 C ATOM 327 C ASN A 21 7.408 -6.429 -2.708 1.00 0.00 C ATOM 328 O ASN A 21 7.706 -5.684 -3.616 1.00 0.00 O ATOM 329 CB ASN A 21 9.600 -7.650 -2.418 1.00 0.00 C ATOM 330 CG ASN A 21 10.912 -7.427 -1.671 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.966 -7.350 -2.272 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.892 -7.322 -0.371 1.00 0.00 N ATOM 0 H ASN A 21 7.776 -8.785 -1.009 1.00 0.00 H new ATOM 0 HA ASN A 21 8.864 -6.023 -1.197 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.375 -8.715 -2.470 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.687 -7.292 -3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.761 -7.175 0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.007 -7.387 0.132 1.00 0.00 H new ATOM 339 N GLN A 22 6.169 -6.829 -2.553 1.00 0.00 N ATOM 340 CA GLN A 22 5.093 -6.353 -3.491 1.00 0.00 C ATOM 341 C GLN A 22 3.788 -6.224 -2.702 1.00 0.00 C ATOM 342 O GLN A 22 3.621 -6.829 -1.663 1.00 0.00 O ATOM 343 CB GLN A 22 4.887 -7.315 -4.669 1.00 0.00 C ATOM 344 CG GLN A 22 6.222 -7.881 -5.158 1.00 0.00 C ATOM 345 CD GLN A 22 6.359 -9.325 -4.681 1.00 0.00 C ATOM 346 OE1 GLN A 22 5.381 -10.039 -4.586 1.00 0.00 O ATOM 347 NE2 GLN A 22 7.537 -9.792 -4.382 1.00 0.00 N ATOM 0 H GLN A 22 5.852 -7.464 -1.820 1.00 0.00 H new ATOM 0 HA GLN A 22 5.397 -5.392 -3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.232 -8.131 -4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.389 -6.793 -5.486 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.272 -7.838 -6.246 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.047 -7.280 -4.777 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.358 -9.193 -4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.638 -10.757 -4.068 1.00 0.00 H new ATOM 356 N LEU A 23 2.880 -5.403 -3.157 1.00 0.00 N ATOM 357 CA LEU A 23 1.616 -5.201 -2.393 1.00 0.00 C ATOM 358 C LEU A 23 0.374 -5.604 -3.205 1.00 0.00 C ATOM 359 O LEU A 23 0.458 -6.201 -4.254 1.00 0.00 O ATOM 360 CB LEU A 23 1.538 -3.715 -2.047 1.00 0.00 C ATOM 361 CG LEU A 23 2.052 -3.518 -0.628 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.147 -2.024 -0.317 1.00 0.00 C ATOM 363 CD2 LEU A 23 1.099 -4.187 0.362 1.00 0.00 C ATOM 0 H LEU A 23 2.958 -4.866 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 23 1.628 -5.830 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.133 -3.132 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.510 -3.361 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 23 3.040 -3.969 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.515 -1.887 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.833 -1.549 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.161 -1.570 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.470 -4.044 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.108 -3.741 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.038 -5.253 0.145 1.00 0.00 H new ATOM 375 N SER A 24 -0.782 -5.276 -2.693 1.00 0.00 N ATOM 376 CA SER A 24 -2.046 -5.579 -3.354 1.00 0.00 C ATOM 377 C SER A 24 -3.082 -4.640 -2.730 1.00 0.00 C ATOM 378 O SER A 24 -2.765 -3.863 -1.852 1.00 0.00 O ATOM 379 CB SER A 24 -2.421 -7.031 -3.093 1.00 0.00 C ATOM 380 OG SER A 24 -1.260 -7.756 -2.702 1.00 0.00 O ATOM 0 H SER A 24 -0.886 -4.789 -1.803 1.00 0.00 H new ATOM 0 HA SER A 24 -1.987 -5.440 -4.434 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.179 -7.088 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.854 -7.473 -3.990 1.00 0.00 H new ATOM 0 HG SER A 24 -1.500 -8.691 -2.532 1.00 0.00 H new ATOM 386 N LYS A 25 -4.300 -4.690 -3.155 1.00 0.00 N ATOM 387 CA LYS A 25 -5.320 -3.785 -2.559 1.00 0.00 C ATOM 388 C LYS A 25 -5.774 -4.341 -1.206 1.00 0.00 C ATOM 389 O LYS A 25 -6.269 -3.618 -0.364 1.00 0.00 O ATOM 390 CB LYS A 25 -6.511 -3.658 -3.498 1.00 0.00 C ATOM 391 CG LYS A 25 -6.994 -2.208 -3.477 1.00 0.00 C ATOM 392 CD LYS A 25 -6.547 -1.490 -4.753 1.00 0.00 C ATOM 393 CE LYS A 25 -5.647 -0.309 -4.385 1.00 0.00 C ATOM 394 NZ LYS A 25 -6.476 0.789 -3.811 1.00 0.00 N ATOM 0 H LYS A 25 -4.641 -5.314 -3.887 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.882 -2.798 -2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.228 -3.948 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.312 -4.328 -3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.081 -2.179 -3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.594 -1.695 -2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.010 -2.181 -5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.416 -1.139 -5.309 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.892 -0.624 -3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.116 0.046 -5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.930 1.674 -3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.335 0.911 -4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.743 0.549 -2.835 1.00 0.00 H new ATOM 408 N GLU A 26 -5.605 -5.615 -0.986 1.00 0.00 N ATOM 409 CA GLU A 26 -6.020 -6.206 0.313 1.00 0.00 C ATOM 410 C GLU A 26 -4.935 -5.951 1.364 1.00 0.00 C ATOM 411 O GLU A 26 -5.062 -6.351 2.502 1.00 0.00 O ATOM 412 CB GLU A 26 -6.234 -7.711 0.143 1.00 0.00 C ATOM 413 CG GLU A 26 -7.580 -7.963 -0.538 1.00 0.00 C ATOM 414 CD GLU A 26 -8.711 -7.608 0.428 1.00 0.00 C ATOM 415 OE1 GLU A 26 -9.080 -8.463 1.216 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.189 -6.487 0.366 1.00 0.00 O ATOM 0 H GLU A 26 -5.197 -6.272 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.951 -5.745 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.428 -8.138 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.208 -8.204 1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.659 -7.363 -1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.658 -9.008 -0.839 1.00 0.00 H new ATOM 423 N GLU A 27 -3.860 -5.299 0.996 1.00 0.00 N ATOM 424 CA GLU A 27 -2.780 -5.045 1.997 1.00 0.00 C ATOM 425 C GLU A 27 -2.399 -3.561 2.023 1.00 0.00 C ATOM 426 O GLU A 27 -1.512 -3.158 2.751 1.00 0.00 O ATOM 427 CB GLU A 27 -1.540 -5.878 1.652 1.00 0.00 C ATOM 428 CG GLU A 27 -1.948 -7.123 0.862 1.00 0.00 C ATOM 429 CD GLU A 27 -0.694 -7.828 0.340 1.00 0.00 C ATOM 430 OE1 GLU A 27 0.135 -7.160 -0.254 1.00 0.00 O ATOM 431 OE2 GLU A 27 -0.584 -9.024 0.546 1.00 0.00 O ATOM 0 H GLU A 27 -3.685 -4.936 0.059 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.155 -5.331 2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.841 -5.280 1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.023 -6.171 2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.521 -7.799 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.594 -6.844 0.030 1.00 0.00 H new ATOM 438 N LEU A 28 -3.073 -2.737 1.275 1.00 0.00 N ATOM 439 CA LEU A 28 -2.762 -1.295 1.304 1.00 0.00 C ATOM 440 C LEU A 28 -3.651 -0.715 2.398 1.00 0.00 C ATOM 441 O LEU A 28 -3.227 0.045 3.245 1.00 0.00 O ATOM 442 CB LEU A 28 -3.064 -0.723 -0.092 1.00 0.00 C ATOM 443 CG LEU A 28 -3.794 0.622 -0.017 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.804 1.731 0.350 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.420 0.938 -1.381 1.00 0.00 C ATOM 0 H LEU A 28 -3.828 -3.007 0.644 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.721 -1.058 1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.131 -0.599 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.672 -1.434 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.572 0.565 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.329 2.685 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.354 1.511 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.023 1.787 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.940 1.895 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.637 0.991 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.129 0.154 -1.647 1.00 0.00 H new ATOM 457 N LYS A 29 -4.877 -1.145 2.398 1.00 0.00 N ATOM 458 CA LYS A 29 -5.852 -0.752 3.399 1.00 0.00 C ATOM 459 C LYS A 29 -5.349 -1.109 4.807 1.00 0.00 C ATOM 460 O LYS A 29 -5.288 -0.272 5.683 1.00 0.00 O ATOM 461 CB LYS A 29 -7.076 -1.569 3.096 1.00 0.00 C ATOM 462 CG LYS A 29 -8.111 -1.196 4.112 1.00 0.00 C ATOM 463 CD LYS A 29 -9.496 -1.533 3.581 1.00 0.00 C ATOM 464 CE LYS A 29 -10.247 -2.409 4.610 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.711 -2.337 4.347 1.00 0.00 N ATOM 0 H LYS A 29 -5.244 -1.789 1.697 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.041 0.321 3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.435 -1.367 2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.851 -2.634 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.928 -1.731 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.046 -0.131 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.056 -0.618 3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.414 -2.060 2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.905 -3.442 4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.031 -2.066 5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.217 -2.926 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.031 -1.351 4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.909 -2.684 3.387 1.00 0.00 H new ATOM 479 N LEU A 30 -5.011 -2.360 5.035 1.00 0.00 N ATOM 480 CA LEU A 30 -4.539 -2.766 6.404 1.00 0.00 C ATOM 481 C LEU A 30 -3.362 -1.889 6.825 1.00 0.00 C ATOM 482 O LEU A 30 -3.056 -1.762 7.991 1.00 0.00 O ATOM 483 CB LEU A 30 -4.111 -4.247 6.464 1.00 0.00 C ATOM 484 CG LEU A 30 -4.159 -4.907 5.085 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.355 -6.208 5.113 1.00 0.00 C ATOM 486 CD2 LEU A 30 -5.614 -5.223 4.723 1.00 0.00 C ATOM 0 H LEU A 30 -5.040 -3.109 4.343 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.379 -2.634 7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.100 -4.318 6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.765 -4.787 7.149 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.734 -4.230 4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.389 -6.678 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.320 -5.990 5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.782 -6.884 5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.651 -5.693 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.035 -5.901 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.193 -4.300 4.705 1.00 0.00 H new ATOM 498 N LEU A 31 -2.714 -1.264 5.891 1.00 0.00 N ATOM 499 CA LEU A 31 -1.580 -0.372 6.241 1.00 0.00 C ATOM 500 C LEU A 31 -2.152 0.844 6.937 1.00 0.00 C ATOM 501 O LEU A 31 -1.921 1.093 8.103 1.00 0.00 O ATOM 502 CB LEU A 31 -0.895 0.092 4.961 1.00 0.00 C ATOM 503 CG LEU A 31 0.547 0.527 5.256 1.00 0.00 C ATOM 504 CD1 LEU A 31 1.042 1.434 4.129 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.598 1.300 6.580 1.00 0.00 C ATOM 0 H LEU A 31 -2.921 -1.332 4.894 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.866 -0.895 6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.896 -0.714 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.450 0.922 4.524 1.00 0.00 H new ATOM 0 HG LEU A 31 1.180 -0.357 5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.066 1.745 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.011 0.891 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.402 2.314 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.624 1.606 6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.037 2.183 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.243 0.661 7.388 1.00 0.00 H new ATOM 517 N LEU A 32 -2.921 1.590 6.207 1.00 0.00 N ATOM 518 CA LEU A 32 -3.560 2.790 6.768 1.00 0.00 C ATOM 519 C LEU A 32 -4.243 2.427 8.070 1.00 0.00 C ATOM 520 O LEU A 32 -3.926 2.894 9.117 1.00 0.00 O ATOM 521 CB LEU A 32 -4.632 3.253 5.810 1.00 0.00 C ATOM 522 CG LEU A 32 -4.016 3.630 4.477 1.00 0.00 C ATOM 523 CD1 LEU A 32 -4.048 2.435 3.525 1.00 0.00 C ATOM 524 CD2 LEU A 32 -4.845 4.746 3.893 1.00 0.00 C ATOM 0 H LEU A 32 -3.135 1.411 5.226 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.810 3.564 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.369 2.462 5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.160 4.109 6.230 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.980 3.938 4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.603 2.718 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.483 1.609 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.081 2.124 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.429 5.043 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.871 4.404 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.836 5.599 4.571 1.00 0.00 H new ATOM 536 N GLN A 33 -5.212 1.607 7.989 1.00 0.00 N ATOM 537 CA GLN A 33 -5.967 1.233 9.234 1.00 0.00 C ATOM 538 C GLN A 33 -5.032 0.724 10.328 1.00 0.00 C ATOM 539 O GLN A 33 -5.277 0.945 11.498 1.00 0.00 O ATOM 540 CB GLN A 33 -7.021 0.165 8.913 1.00 0.00 C ATOM 541 CG GLN A 33 -8.072 0.733 7.953 1.00 0.00 C ATOM 542 CD GLN A 33 -9.371 -0.065 8.088 1.00 0.00 C ATOM 543 OE1 GLN A 33 -10.433 0.503 8.254 1.00 0.00 O ATOM 544 NE2 GLN A 33 -9.332 -1.369 8.023 1.00 0.00 N ATOM 0 H GLN A 33 -5.536 1.164 7.129 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.460 2.132 9.603 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.542 -0.706 8.466 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.501 -0.171 9.832 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.254 1.784 8.176 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.707 0.684 6.927 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.441 -1.846 7.884 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.192 -1.910 8.111 1.00 0.00 H new ATOM 553 N THR A 34 -3.971 0.062 9.996 1.00 0.00 N ATOM 554 CA THR A 34 -3.071 -0.415 11.079 1.00 0.00 C ATOM 555 C THR A 34 -2.544 0.802 11.841 1.00 0.00 C ATOM 556 O THR A 34 -2.351 0.763 13.041 1.00 0.00 O ATOM 557 CB THR A 34 -1.900 -1.203 10.494 1.00 0.00 C ATOM 558 OG1 THR A 34 -2.355 -2.484 10.075 1.00 0.00 O ATOM 559 CG2 THR A 34 -0.815 -1.373 11.561 1.00 0.00 C ATOM 0 H THR A 34 -3.687 -0.169 9.044 1.00 0.00 H new ATOM 0 HA THR A 34 -3.624 -1.072 11.750 1.00 0.00 H new ATOM 0 HB THR A 34 -1.489 -0.664 9.640 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.191 -2.591 9.115 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.021 -1.935 11.144 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.467 -0.392 11.885 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.225 -1.913 12.414 1.00 0.00 H new ATOM 567 N GLU A 35 -2.312 1.886 11.151 1.00 0.00 N ATOM 568 CA GLU A 35 -1.802 3.110 11.829 1.00 0.00 C ATOM 569 C GLU A 35 -2.863 4.219 11.768 1.00 0.00 C ATOM 570 O GLU A 35 -3.264 4.757 12.780 1.00 0.00 O ATOM 571 CB GLU A 35 -0.517 3.580 11.139 1.00 0.00 C ATOM 572 CG GLU A 35 0.612 2.589 11.431 1.00 0.00 C ATOM 573 CD GLU A 35 1.288 2.958 12.753 1.00 0.00 C ATOM 574 OE1 GLU A 35 0.752 2.598 13.789 1.00 0.00 O ATOM 575 OE2 GLU A 35 2.329 3.594 12.708 1.00 0.00 O ATOM 0 H GLU A 35 -2.454 1.976 10.145 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.587 2.882 12.873 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.677 3.659 10.064 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.244 4.574 11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.215 1.575 11.484 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.341 2.604 10.621 1.00 0.00 H new ATOM 582 N PHE A 36 -3.312 4.578 10.591 1.00 0.00 N ATOM 583 CA PHE A 36 -4.321 5.648 10.468 1.00 0.00 C ATOM 584 C PHE A 36 -5.642 5.089 9.929 1.00 0.00 C ATOM 585 O PHE A 36 -5.956 5.350 8.790 1.00 0.00 O ATOM 586 CB PHE A 36 -3.816 6.722 9.485 1.00 0.00 C ATOM 587 CG PHE A 36 -2.321 6.589 9.264 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.429 6.735 10.334 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.829 6.311 7.980 1.00 0.00 C ATOM 590 CE1 PHE A 36 -0.049 6.604 10.119 1.00 0.00 C ATOM 591 CE2 PHE A 36 -0.451 6.180 7.766 1.00 0.00 C ATOM 592 CZ PHE A 36 0.439 6.326 8.835 1.00 0.00 C ATOM 0 H PHE A 36 -3.013 4.165 9.708 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.484 6.077 11.457 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.339 6.625 8.534 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.044 7.714 9.875 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.804 6.948 11.324 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.515 6.198 7.154 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.638 6.718 10.944 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.076 5.966 6.776 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.502 6.225 8.671 1.00 0.00 H new ATOM 602 N PRO A 37 -6.398 4.408 10.796 1.00 0.00 N ATOM 603 CA PRO A 37 -7.724 3.854 10.528 1.00 0.00 C ATOM 604 C PRO A 37 -8.233 4.438 9.267 1.00 0.00 C ATOM 605 O PRO A 37 -9.075 5.305 9.196 1.00 0.00 O ATOM 606 CB PRO A 37 -8.469 4.199 11.793 1.00 0.00 C ATOM 607 CG PRO A 37 -7.364 4.131 12.879 1.00 0.00 C ATOM 608 CD PRO A 37 -6.007 4.164 12.138 1.00 0.00 C ATOM 0 HA PRO A 37 -7.798 2.782 10.346 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.920 5.190 11.738 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.275 3.492 11.992 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.448 4.970 13.569 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.459 3.221 13.471 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.355 4.949 12.520 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.466 3.223 12.239 1.00 0.00 H new ATOM 616 N SER A 38 -7.570 3.966 8.291 1.00 0.00 N ATOM 617 CA SER A 38 -7.736 4.420 6.895 1.00 0.00 C ATOM 618 C SER A 38 -9.122 4.984 6.678 1.00 0.00 C ATOM 619 O SER A 38 -10.118 4.293 6.597 1.00 0.00 O ATOM 620 CB SER A 38 -7.519 3.225 5.968 1.00 0.00 C ATOM 621 OG SER A 38 -8.777 2.718 5.541 1.00 0.00 O ATOM 0 H SER A 38 -6.869 3.233 8.399 1.00 0.00 H new ATOM 0 HA SER A 38 -7.010 5.205 6.682 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.924 3.525 5.105 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.959 2.447 6.486 1.00 0.00 H new ATOM 0 HG SER A 38 -9.432 2.817 6.263 1.00 0.00 H new ATOM 627 N LEU A 39 -9.145 6.280 6.578 1.00 0.00 N ATOM 628 CA LEU A 39 -10.400 7.018 6.350 1.00 0.00 C ATOM 629 C LEU A 39 -10.874 6.703 4.929 1.00 0.00 C ATOM 630 O LEU A 39 -11.964 7.061 4.529 1.00 0.00 O ATOM 631 CB LEU A 39 -10.152 8.535 6.506 1.00 0.00 C ATOM 632 CG LEU A 39 -9.095 8.841 7.602 1.00 0.00 C ATOM 633 CD1 LEU A 39 -9.124 7.788 8.711 1.00 0.00 C ATOM 634 CD2 LEU A 39 -7.684 8.880 6.993 1.00 0.00 C ATOM 0 H LEU A 39 -8.316 6.871 6.648 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.158 6.721 7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.817 8.948 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.089 9.032 6.757 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.342 9.813 8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.373 8.030 9.463 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.110 7.775 9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.910 6.807 8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.956 9.096 7.775 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.456 7.915 6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.638 9.657 6.230 1.00 0.00 H new ATOM 646 N LEU A 40 -10.050 6.011 4.175 1.00 0.00 N ATOM 647 CA LEU A 40 -10.412 5.626 2.783 1.00 0.00 C ATOM 648 C LEU A 40 -11.891 5.255 2.740 1.00 0.00 C ATOM 649 O LEU A 40 -12.560 5.423 1.740 1.00 0.00 O ATOM 650 CB LEU A 40 -9.575 4.403 2.364 1.00 0.00 C ATOM 651 CG LEU A 40 -8.087 4.584 2.721 1.00 0.00 C ATOM 652 CD1 LEU A 40 -7.229 3.827 1.703 1.00 0.00 C ATOM 653 CD2 LEU A 40 -7.695 6.067 2.691 1.00 0.00 C ATOM 0 H LEU A 40 -9.128 5.695 4.476 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.217 6.457 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.962 3.511 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.675 4.243 1.290 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.923 4.195 3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.175 3.952 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.485 2.768 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.416 4.222 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.640 6.170 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.868 6.469 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.298 6.617 3.413 1.00 0.00 H new ATOM 665 N LYS A 41 -12.400 4.747 3.827 1.00 0.00 N ATOM 666 CA LYS A 41 -13.835 4.356 3.879 1.00 0.00 C ATOM 667 C LYS A 41 -14.685 5.585 4.212 1.00 0.00 C ATOM 668 O LYS A 41 -15.566 5.534 5.048 1.00 0.00 O ATOM 669 CB LYS A 41 -14.029 3.291 4.962 1.00 0.00 C ATOM 670 CG LYS A 41 -13.176 3.638 6.189 1.00 0.00 C ATOM 671 CD LYS A 41 -13.990 3.402 7.463 1.00 0.00 C ATOM 672 CE LYS A 41 -13.101 3.626 8.688 1.00 0.00 C ATOM 673 NZ LYS A 41 -13.918 4.191 9.800 1.00 0.00 N ATOM 0 H LYS A 41 -11.879 4.585 4.688 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.141 3.954 2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.080 3.232 5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.747 2.311 4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.274 3.026 6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.854 4.678 6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.844 4.079 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.387 2.387 7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.647 2.685 8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.286 4.306 8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.313 4.343 10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.331 5.098 9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.681 3.527 10.043 1.00 0.00 H new ATOM 687 N GLY A 42 -14.429 6.691 3.567 1.00 0.00 N ATOM 688 CA GLY A 42 -15.221 7.921 3.849 1.00 0.00 C ATOM 689 C GLY A 42 -14.973 8.950 2.745 1.00 0.00 C ATOM 690 O GLY A 42 -14.700 10.104 3.014 1.00 0.00 O ATOM 0 H GLY A 42 -13.705 6.795 2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -16.282 7.679 3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.938 8.335 4.817 1.00 0.00 H new ATOM 694 N MET A 43 -15.063 8.536 1.504 1.00 0.00 N ATOM 695 CA MET A 43 -14.838 9.456 0.346 1.00 0.00 C ATOM 696 C MET A 43 -13.352 9.747 0.169 1.00 0.00 C ATOM 697 O MET A 43 -12.898 10.053 -0.915 1.00 0.00 O ATOM 698 CB MET A 43 -15.527 10.793 0.569 1.00 0.00 C ATOM 699 CG MET A 43 -16.709 10.650 1.521 1.00 0.00 C ATOM 700 SD MET A 43 -18.146 11.518 0.845 1.00 0.00 S ATOM 701 CE MET A 43 -19.235 10.081 0.697 1.00 0.00 C ATOM 0 H MET A 43 -15.288 7.577 1.240 1.00 0.00 H new ATOM 0 HA MET A 43 -15.244 8.958 -0.534 1.00 0.00 H new ATOM 0 HB2 MET A 43 -14.814 11.510 0.975 1.00 0.00 H new ATOM 0 HB3 MET A 43 -15.871 11.192 -0.385 1.00 0.00 H new ATOM 0 HG2 MET A 43 -16.945 9.596 1.668 1.00 0.00 H new ATOM 0 HG3 MET A 43 -16.452 11.058 2.499 1.00 0.00 H new ATOM 0 HE1 MET A 43 -20.197 10.394 0.291 1.00 0.00 H new ATOM 0 HE2 MET A 43 -18.781 9.348 0.031 1.00 0.00 H new ATOM 0 HE3 MET A 43 -19.384 9.635 1.680 1.00 0.00 H new ATOM 711 N SER A 44 -12.597 9.709 1.225 1.00 0.00 N ATOM 712 CA SER A 44 -11.169 10.040 1.110 1.00 0.00 C ATOM 713 C SER A 44 -10.507 9.159 0.047 1.00 0.00 C ATOM 714 O SER A 44 -11.169 8.476 -0.708 1.00 0.00 O ATOM 715 CB SER A 44 -10.480 9.831 2.459 1.00 0.00 C ATOM 716 OG SER A 44 -9.935 8.519 2.511 1.00 0.00 O ATOM 0 H SER A 44 -12.914 9.462 2.162 1.00 0.00 H new ATOM 0 HA SER A 44 -11.071 11.084 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.691 10.570 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.194 9.973 3.271 1.00 0.00 H new ATOM 0 HG SER A 44 -8.965 8.573 2.639 1.00 0.00 H new ATOM 722 N THR A 45 -9.203 9.168 -0.014 1.00 0.00 N ATOM 723 CA THR A 45 -8.496 8.330 -1.023 1.00 0.00 C ATOM 724 C THR A 45 -8.987 6.886 -0.913 1.00 0.00 C ATOM 725 O THR A 45 -9.739 6.554 -0.022 1.00 0.00 O ATOM 726 CB THR A 45 -6.987 8.372 -0.766 1.00 0.00 C ATOM 727 OG1 THR A 45 -6.693 9.366 0.206 1.00 0.00 O ATOM 728 CG2 THR A 45 -6.257 8.702 -2.068 1.00 0.00 C ATOM 0 H THR A 45 -8.597 9.720 0.592 1.00 0.00 H new ATOM 0 HA THR A 45 -8.703 8.716 -2.021 1.00 0.00 H new ATOM 0 HB THR A 45 -6.658 7.400 -0.399 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.727 9.389 0.369 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.183 8.732 -1.885 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.477 7.937 -2.813 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.590 9.673 -2.436 1.00 0.00 H new ATOM 736 N LEU A 46 -8.552 6.036 -1.812 1.00 0.00 N ATOM 737 CA LEU A 46 -8.969 4.594 -1.791 1.00 0.00 C ATOM 738 C LEU A 46 -8.921 4.030 -3.212 1.00 0.00 C ATOM 739 O LEU A 46 -8.750 2.845 -3.416 1.00 0.00 O ATOM 740 CB LEU A 46 -10.405 4.444 -1.273 1.00 0.00 C ATOM 741 CG LEU A 46 -10.849 2.991 -1.442 1.00 0.00 C ATOM 742 CD1 LEU A 46 -9.940 2.083 -0.612 1.00 0.00 C ATOM 743 CD2 LEU A 46 -12.294 2.836 -0.960 1.00 0.00 C ATOM 0 H LEU A 46 -7.917 6.282 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.287 4.056 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.458 4.734 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.074 5.108 -1.821 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.785 2.713 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.255 1.046 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.910 2.191 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.007 2.364 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.609 1.800 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.358 3.114 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.945 3.484 -1.547 1.00 0.00 H new ATOM 755 N ASP A 47 -9.107 4.867 -4.194 1.00 0.00 N ATOM 756 CA ASP A 47 -9.115 4.386 -5.604 1.00 0.00 C ATOM 757 C ASP A 47 -8.000 5.023 -6.435 1.00 0.00 C ATOM 758 O ASP A 47 -7.318 4.350 -7.182 1.00 0.00 O ATOM 759 CB ASP A 47 -10.433 4.766 -6.232 1.00 0.00 C ATOM 760 CG ASP A 47 -11.351 3.546 -6.302 1.00 0.00 C ATOM 761 OD1 ASP A 47 -10.989 2.595 -6.975 1.00 0.00 O ATOM 762 OD2 ASP A 47 -12.402 3.583 -5.683 1.00 0.00 O ATOM 0 H ASP A 47 -9.255 5.870 -4.080 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.963 3.307 -5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.908 5.556 -5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.267 5.164 -7.233 1.00 0.00 H new ATOM 767 N GLU A 48 -7.815 6.310 -6.335 1.00 0.00 N ATOM 768 CA GLU A 48 -6.750 6.959 -7.140 1.00 0.00 C ATOM 769 C GLU A 48 -5.403 6.547 -6.582 1.00 0.00 C ATOM 770 O GLU A 48 -4.367 6.794 -7.166 1.00 0.00 O ATOM 771 CB GLU A 48 -6.886 8.472 -7.070 1.00 0.00 C ATOM 772 CG GLU A 48 -6.733 9.034 -8.479 1.00 0.00 C ATOM 773 CD GLU A 48 -6.792 10.562 -8.441 1.00 0.00 C ATOM 774 OE1 GLU A 48 -7.560 11.086 -7.652 1.00 0.00 O ATOM 775 OE2 GLU A 48 -6.067 11.182 -9.203 1.00 0.00 O ATOM 0 H GLU A 48 -8.353 6.935 -5.734 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.839 6.648 -8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.856 8.747 -6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.127 8.891 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.785 8.709 -8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.524 8.647 -9.122 1.00 0.00 H new ATOM 782 N LEU A 49 -5.418 5.890 -5.467 1.00 0.00 N ATOM 783 CA LEU A 49 -4.150 5.422 -4.876 1.00 0.00 C ATOM 784 C LEU A 49 -3.762 4.147 -5.613 1.00 0.00 C ATOM 785 O LEU A 49 -2.611 3.764 -5.688 1.00 0.00 O ATOM 786 CB LEU A 49 -4.380 5.136 -3.401 1.00 0.00 C ATOM 787 CG LEU A 49 -3.060 5.320 -2.641 1.00 0.00 C ATOM 788 CD1 LEU A 49 -2.983 6.738 -2.071 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.974 4.308 -1.499 1.00 0.00 C ATOM 0 H LEU A 49 -6.258 5.656 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.357 6.165 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.140 5.808 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.751 4.120 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.230 5.161 -3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.044 6.863 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.033 7.461 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.817 6.902 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.035 4.443 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.808 4.461 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.018 3.297 -1.905 1.00 0.00 H new ATOM 801 N PHE A 50 -4.744 3.510 -6.179 1.00 0.00 N ATOM 802 CA PHE A 50 -4.514 2.265 -6.955 1.00 0.00 C ATOM 803 C PHE A 50 -4.021 2.636 -8.358 1.00 0.00 C ATOM 804 O PHE A 50 -3.143 1.999 -8.906 1.00 0.00 O ATOM 805 CB PHE A 50 -5.837 1.507 -7.064 1.00 0.00 C ATOM 806 CG PHE A 50 -5.619 0.184 -7.760 1.00 0.00 C ATOM 807 CD1 PHE A 50 -4.458 -0.559 -7.513 1.00 0.00 C ATOM 808 CD2 PHE A 50 -6.583 -0.301 -8.654 1.00 0.00 C ATOM 809 CE1 PHE A 50 -4.262 -1.785 -8.159 1.00 0.00 C ATOM 810 CE2 PHE A 50 -6.386 -1.527 -9.300 1.00 0.00 C ATOM 811 CZ PHE A 50 -5.225 -2.269 -9.052 1.00 0.00 C ATOM 0 H PHE A 50 -5.719 3.807 -6.135 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.769 1.642 -6.460 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -6.253 1.340 -6.070 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.563 2.103 -7.617 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.714 -0.186 -6.824 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.479 0.272 -8.845 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.367 -2.358 -7.968 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.129 -1.900 -9.989 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.072 -3.215 -9.550 1.00 0.00 H new ATOM 821 N GLU A 51 -4.582 3.663 -8.942 1.00 0.00 N ATOM 822 CA GLU A 51 -4.150 4.077 -10.307 1.00 0.00 C ATOM 823 C GLU A 51 -2.732 4.643 -10.239 1.00 0.00 C ATOM 824 O GLU A 51 -1.915 4.406 -11.107 1.00 0.00 O ATOM 825 CB GLU A 51 -5.096 5.154 -10.842 1.00 0.00 C ATOM 826 CG GLU A 51 -5.513 4.801 -12.271 1.00 0.00 C ATOM 827 CD GLU A 51 -6.879 4.113 -12.248 1.00 0.00 C ATOM 828 OE1 GLU A 51 -7.129 3.370 -11.314 1.00 0.00 O ATOM 829 OE2 GLU A 51 -7.650 4.340 -13.165 1.00 0.00 O ATOM 0 H GLU A 51 -5.321 4.233 -8.531 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.171 3.212 -10.970 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.976 5.230 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.604 6.127 -10.825 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.558 5.703 -12.881 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.771 4.145 -12.726 1.00 0.00 H new ATOM 836 N GLU A 52 -2.433 5.386 -9.211 1.00 0.00 N ATOM 837 CA GLU A 52 -1.067 5.964 -9.082 1.00 0.00 C ATOM 838 C GLU A 52 -0.058 4.831 -8.886 1.00 0.00 C ATOM 839 O GLU A 52 1.127 4.999 -9.092 1.00 0.00 O ATOM 840 CB GLU A 52 -1.025 6.901 -7.872 1.00 0.00 C ATOM 841 CG GLU A 52 -0.655 8.314 -8.330 1.00 0.00 C ATOM 842 CD GLU A 52 0.852 8.390 -8.579 1.00 0.00 C ATOM 843 OE1 GLU A 52 1.350 7.567 -9.329 1.00 0.00 O ATOM 844 OE2 GLU A 52 1.482 9.270 -8.016 1.00 0.00 O ATOM 0 H GLU A 52 -3.076 5.618 -8.454 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.817 6.524 -9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.994 6.911 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.297 6.541 -7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.198 8.567 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.947 9.042 -7.573 1.00 0.00 H new ATOM 851 N LEU A 53 -0.520 3.676 -8.491 1.00 0.00 N ATOM 852 CA LEU A 53 0.412 2.533 -8.280 1.00 0.00 C ATOM 853 C LEU A 53 -0.037 1.344 -9.129 1.00 0.00 C ATOM 854 O LEU A 53 0.423 0.233 -8.950 1.00 0.00 O ATOM 855 CB LEU A 53 0.397 2.135 -6.804 1.00 0.00 C ATOM 856 CG LEU A 53 0.365 3.395 -5.938 1.00 0.00 C ATOM 857 CD1 LEU A 53 0.445 3.004 -4.460 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.558 4.284 -6.297 1.00 0.00 C ATOM 0 H LEU A 53 -1.503 3.475 -8.305 1.00 0.00 H new ATOM 0 HA LEU A 53 1.420 2.827 -8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.473 1.513 -6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.279 1.540 -6.567 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.563 3.938 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.422 3.903 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.403 2.368 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.373 2.462 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.539 5.184 -5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.485 3.740 -6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.501 4.563 -7.349 1.00 0.00 H new ATOM 870 N ASP A 54 -0.934 1.564 -10.048 1.00 0.00 N ATOM 871 CA ASP A 54 -1.411 0.440 -10.902 1.00 0.00 C ATOM 872 C ASP A 54 -0.327 0.090 -11.926 1.00 0.00 C ATOM 873 O ASP A 54 0.305 0.959 -12.494 1.00 0.00 O ATOM 874 CB ASP A 54 -2.690 0.858 -11.630 1.00 0.00 C ATOM 875 CG ASP A 54 -3.650 -0.331 -11.701 1.00 0.00 C ATOM 876 OD1 ASP A 54 -3.287 -1.325 -12.307 1.00 0.00 O ATOM 877 OD2 ASP A 54 -4.735 -0.228 -11.150 1.00 0.00 O ATOM 0 H ASP A 54 -1.357 2.471 -10.245 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.620 -0.430 -10.280 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.163 1.690 -11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.452 1.207 -12.635 1.00 0.00 H new ATOM 882 N LYS A 55 -0.102 -1.174 -12.166 1.00 0.00 N ATOM 883 CA LYS A 55 0.945 -1.566 -13.151 1.00 0.00 C ATOM 884 C LYS A 55 0.278 -2.118 -14.411 1.00 0.00 C ATOM 885 O LYS A 55 0.422 -1.577 -15.489 1.00 0.00 O ATOM 886 CB LYS A 55 1.843 -2.639 -12.536 1.00 0.00 C ATOM 887 CG LYS A 55 2.798 -1.987 -11.536 1.00 0.00 C ATOM 888 CD LYS A 55 4.155 -2.695 -11.590 1.00 0.00 C ATOM 889 CE LYS A 55 3.949 -4.225 -11.475 1.00 0.00 C ATOM 890 NZ LYS A 55 5.278 -4.901 -11.495 1.00 0.00 N ATOM 0 H LYS A 55 -0.596 -1.949 -11.724 1.00 0.00 H new ATOM 0 HA LYS A 55 1.546 -0.695 -13.412 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.236 -3.395 -12.037 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.408 -3.148 -13.317 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.918 -0.929 -11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.384 -2.047 -10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.664 -2.456 -12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.793 -2.342 -10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.420 -4.465 -10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.332 -4.584 -12.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.145 -5.930 -11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.766 -4.681 -12.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.851 -4.565 -10.694 1.00 0.00 H new ATOM 904 N ASN A 56 -0.449 -3.189 -14.281 1.00 0.00 N ATOM 905 CA ASN A 56 -1.130 -3.777 -15.472 1.00 0.00 C ATOM 906 C ASN A 56 -2.574 -4.124 -15.110 1.00 0.00 C ATOM 907 O ASN A 56 -3.475 -4.003 -15.916 1.00 0.00 O ATOM 908 CB ASN A 56 -0.397 -5.048 -15.923 1.00 0.00 C ATOM 909 CG ASN A 56 0.438 -5.614 -14.773 1.00 0.00 C ATOM 910 OD1 ASN A 56 1.645 -5.480 -14.756 1.00 0.00 O ATOM 911 ND2 ASN A 56 -0.163 -6.249 -13.810 1.00 0.00 N ATOM 0 H ASN A 56 -0.603 -3.685 -13.403 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.118 -3.051 -16.285 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.119 -5.793 -16.259 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.247 -4.823 -16.773 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.380 -6.636 -13.038 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.177 -6.360 -13.827 1.00 0.00 H new ATOM 918 N GLY A 57 -2.800 -4.557 -13.899 1.00 0.00 N ATOM 919 CA GLY A 57 -4.182 -4.915 -13.479 1.00 0.00 C ATOM 920 C GLY A 57 -4.215 -6.382 -13.056 1.00 0.00 C ATOM 921 O GLY A 57 -4.924 -7.187 -13.627 1.00 0.00 O ATOM 0 H GLY A 57 -2.084 -4.678 -13.182 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.500 -4.279 -12.653 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.880 -4.745 -14.299 1.00 0.00 H new ATOM 925 N ASP A 58 -3.453 -6.738 -12.058 1.00 0.00 N ATOM 926 CA ASP A 58 -3.439 -8.152 -11.600 1.00 0.00 C ATOM 927 C ASP A 58 -3.744 -8.198 -10.103 1.00 0.00 C ATOM 928 O ASP A 58 -3.749 -9.250 -9.496 1.00 0.00 O ATOM 929 CB ASP A 58 -2.058 -8.757 -11.857 1.00 0.00 C ATOM 930 CG ASP A 58 -1.022 -8.055 -10.979 1.00 0.00 C ATOM 931 OD1 ASP A 58 -1.286 -6.940 -10.564 1.00 0.00 O ATOM 932 OD2 ASP A 58 0.017 -8.645 -10.735 1.00 0.00 O ATOM 0 H ASP A 58 -2.840 -6.108 -11.541 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.191 -8.722 -12.146 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.071 -9.825 -11.639 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.792 -8.649 -12.909 1.00 0.00 H new ATOM 937 N GLY A 59 -3.998 -7.068 -9.503 1.00 0.00 N ATOM 938 CA GLY A 59 -4.303 -7.061 -8.047 1.00 0.00 C ATOM 939 C GLY A 59 -2.999 -7.023 -7.249 1.00 0.00 C ATOM 940 O GLY A 59 -2.941 -7.464 -6.118 1.00 0.00 O ATOM 0 H GLY A 59 -4.007 -6.154 -9.956 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.918 -6.196 -7.798 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.878 -7.948 -7.781 1.00 0.00 H new ATOM 944 N GLU A 60 -1.948 -6.504 -7.825 1.00 0.00 N ATOM 945 CA GLU A 60 -0.654 -6.447 -7.092 1.00 0.00 C ATOM 946 C GLU A 60 0.090 -5.168 -7.466 1.00 0.00 C ATOM 947 O GLU A 60 -0.090 -4.614 -8.532 1.00 0.00 O ATOM 948 CB GLU A 60 0.199 -7.658 -7.466 1.00 0.00 C ATOM 949 CG GLU A 60 1.622 -7.457 -6.949 1.00 0.00 C ATOM 950 CD GLU A 60 2.357 -8.797 -6.946 1.00 0.00 C ATOM 951 OE1 GLU A 60 2.624 -9.307 -8.022 1.00 0.00 O ATOM 952 OE2 GLU A 60 2.642 -9.292 -5.868 1.00 0.00 O ATOM 0 H GLU A 60 -1.931 -6.118 -8.769 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.847 -6.455 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.230 -8.564 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.209 -7.789 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.151 -6.741 -7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.599 -7.040 -5.942 1.00 0.00 H new ATOM 959 N VAL A 61 0.937 -4.709 -6.595 1.00 0.00 N ATOM 960 CA VAL A 61 1.718 -3.490 -6.865 1.00 0.00 C ATOM 961 C VAL A 61 3.171 -3.816 -6.524 1.00 0.00 C ATOM 962 O VAL A 61 3.483 -4.900 -6.073 1.00 0.00 O ATOM 963 CB VAL A 61 1.159 -2.333 -6.006 1.00 0.00 C ATOM 964 CG1 VAL A 61 2.271 -1.580 -5.263 1.00 0.00 C ATOM 965 CG2 VAL A 61 0.424 -1.350 -6.918 1.00 0.00 C ATOM 0 H VAL A 61 1.121 -5.141 -5.689 1.00 0.00 H new ATOM 0 HA VAL A 61 1.654 -3.173 -7.906 1.00 0.00 H new ATOM 0 HB VAL A 61 0.486 -2.761 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.833 -0.776 -4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.799 -2.269 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.971 -1.160 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.025 -0.529 -6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.117 -0.956 -7.661 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.395 -1.864 -7.422 1.00 0.00 H new ATOM 975 N SER A 62 4.054 -2.907 -6.747 1.00 0.00 N ATOM 976 CA SER A 62 5.483 -3.182 -6.450 1.00 0.00 C ATOM 977 C SER A 62 6.028 -2.098 -5.512 1.00 0.00 C ATOM 978 O SER A 62 5.345 -1.151 -5.182 1.00 0.00 O ATOM 979 CB SER A 62 6.267 -3.174 -7.767 1.00 0.00 C ATOM 980 OG SER A 62 6.449 -1.828 -8.203 1.00 0.00 O ATOM 0 H SER A 62 3.857 -1.980 -7.123 1.00 0.00 H new ATOM 0 HA SER A 62 5.586 -4.153 -5.966 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.234 -3.657 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.731 -3.744 -8.526 1.00 0.00 H new ATOM 0 HG SER A 62 6.952 -1.822 -9.044 1.00 0.00 H new ATOM 986 N PHE A 63 7.251 -2.236 -5.085 1.00 0.00 N ATOM 987 CA PHE A 63 7.862 -1.230 -4.172 1.00 0.00 C ATOM 988 C PHE A 63 8.112 0.067 -4.954 1.00 0.00 C ATOM 989 O PHE A 63 7.954 1.150 -4.434 1.00 0.00 O ATOM 990 CB PHE A 63 9.193 -1.804 -3.685 1.00 0.00 C ATOM 991 CG PHE A 63 9.678 -1.164 -2.393 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.837 -1.055 -1.273 1.00 0.00 C ATOM 993 CD2 PHE A 63 11.001 -0.714 -2.310 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.323 -0.501 -0.081 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.483 -0.154 -1.121 1.00 0.00 C ATOM 996 CZ PHE A 63 10.645 -0.049 -0.005 1.00 0.00 C ATOM 0 H PHE A 63 7.862 -3.014 -5.333 1.00 0.00 H new ATOM 0 HA PHE A 63 7.207 -1.014 -3.328 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.086 -2.878 -3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.948 -1.664 -4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.815 -1.399 -1.331 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.653 -0.799 -3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.676 -0.423 0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.503 0.197 -1.065 1.00 0.00 H new ATOM 0 HZ PHE A 63 11.018 0.380 0.913 1.00 0.00 H new ATOM 1006 N GLU A 64 8.507 -0.043 -6.201 1.00 0.00 N ATOM 1007 CA GLU A 64 8.775 1.179 -7.022 1.00 0.00 C ATOM 1008 C GLU A 64 7.524 2.064 -7.069 1.00 0.00 C ATOM 1009 O GLU A 64 7.603 3.275 -6.998 1.00 0.00 O ATOM 1010 CB GLU A 64 9.166 0.767 -8.445 1.00 0.00 C ATOM 1011 CG GLU A 64 10.584 0.194 -8.436 1.00 0.00 C ATOM 1012 CD GLU A 64 11.569 1.277 -7.994 1.00 0.00 C ATOM 1013 OE1 GLU A 64 11.968 2.066 -8.835 1.00 0.00 O ATOM 1014 OE2 GLU A 64 11.909 1.299 -6.823 1.00 0.00 O ATOM 0 H GLU A 64 8.655 -0.928 -6.685 1.00 0.00 H new ATOM 0 HA GLU A 64 9.592 1.740 -6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.464 0.025 -8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.114 1.628 -9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.638 -0.660 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.847 -0.169 -9.430 1.00 0.00 H new ATOM 1021 N GLU A 65 6.372 1.463 -7.169 1.00 0.00 N ATOM 1022 CA GLU A 65 5.101 2.249 -7.200 1.00 0.00 C ATOM 1023 C GLU A 65 4.803 2.699 -5.791 1.00 0.00 C ATOM 1024 O GLU A 65 4.402 3.812 -5.517 1.00 0.00 O ATOM 1025 CB GLU A 65 3.979 1.329 -7.654 1.00 0.00 C ATOM 1026 CG GLU A 65 3.850 1.436 -9.152 1.00 0.00 C ATOM 1027 CD GLU A 65 4.344 0.148 -9.808 1.00 0.00 C ATOM 1028 OE1 GLU A 65 3.843 -0.905 -9.452 1.00 0.00 O ATOM 1029 OE2 GLU A 65 5.218 0.236 -10.656 1.00 0.00 O ATOM 0 H GLU A 65 6.252 0.452 -7.231 1.00 0.00 H new ATOM 0 HA GLU A 65 5.188 3.103 -7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.192 0.300 -7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.042 1.608 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.810 1.618 -9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.428 2.285 -9.516 1.00 0.00 H new ATOM 1036 N PHE A 66 5.018 1.791 -4.914 1.00 0.00 N ATOM 1037 CA PHE A 66 4.797 2.008 -3.452 1.00 0.00 C ATOM 1038 C PHE A 66 5.664 3.172 -2.914 1.00 0.00 C ATOM 1039 O PHE A 66 5.641 3.469 -1.736 1.00 0.00 O ATOM 1040 CB PHE A 66 5.174 0.704 -2.738 1.00 0.00 C ATOM 1041 CG PHE A 66 4.626 0.702 -1.335 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.242 0.695 -1.133 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.493 0.732 -0.236 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.719 0.726 0.160 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.968 0.754 1.056 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.581 0.757 1.256 1.00 0.00 C ATOM 0 H PHE A 66 5.354 0.856 -5.146 1.00 0.00 H new ATOM 0 HA PHE A 66 3.755 2.274 -3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.781 -0.149 -3.291 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.258 0.595 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.575 0.665 -1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.562 0.738 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.650 0.726 0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.634 0.769 1.906 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.180 0.783 2.258 1.00 0.00 H new ATOM 1056 N GLN A 67 6.418 3.833 -3.757 1.00 0.00 N ATOM 1057 CA GLN A 67 7.272 4.976 -3.284 1.00 0.00 C ATOM 1058 C GLN A 67 6.437 6.228 -3.185 1.00 0.00 C ATOM 1059 O GLN A 67 6.603 7.031 -2.296 1.00 0.00 O ATOM 1060 CB GLN A 67 8.436 5.230 -4.241 1.00 0.00 C ATOM 1061 CG GLN A 67 9.223 3.943 -4.457 1.00 0.00 C ATOM 1062 CD GLN A 67 10.238 3.750 -3.314 1.00 0.00 C ATOM 1063 OE1 GLN A 67 11.176 4.515 -3.199 1.00 0.00 O ATOM 1064 NE2 GLN A 67 10.106 2.761 -2.455 1.00 0.00 N ATOM 0 H GLN A 67 6.482 3.633 -4.755 1.00 0.00 H new ATOM 0 HA GLN A 67 7.674 4.712 -2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.060 5.600 -5.195 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.090 6.002 -3.835 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.542 3.093 -4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.743 3.981 -5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.324 2.112 -2.540 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.786 2.644 -1.704 1.00 0.00 H new ATOM 1073 N VAL A 68 5.540 6.400 -4.087 1.00 0.00 N ATOM 1074 CA VAL A 68 4.670 7.600 -4.029 1.00 0.00 C ATOM 1075 C VAL A 68 4.201 7.761 -2.574 1.00 0.00 C ATOM 1076 O VAL A 68 4.214 8.832 -2.001 1.00 0.00 O ATOM 1077 CB VAL A 68 3.488 7.369 -4.976 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.196 7.101 -4.196 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.325 8.600 -5.859 1.00 0.00 C ATOM 0 H VAL A 68 5.363 5.767 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 68 5.190 8.507 -4.336 1.00 0.00 H new ATOM 0 HB VAL A 68 3.688 6.491 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.375 6.941 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.323 6.213 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.970 7.958 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.487 8.451 -6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.135 9.473 -5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.237 8.758 -6.435 1.00 0.00 H new ATOM 1089 N LEU A 69 3.813 6.665 -1.990 1.00 0.00 N ATOM 1090 CA LEU A 69 3.354 6.649 -0.568 1.00 0.00 C ATOM 1091 C LEU A 69 4.528 6.952 0.348 1.00 0.00 C ATOM 1092 O LEU A 69 4.358 7.539 1.383 1.00 0.00 O ATOM 1093 CB LEU A 69 2.885 5.226 -0.242 1.00 0.00 C ATOM 1094 CG LEU A 69 1.458 5.157 0.355 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.547 4.641 1.789 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.762 6.524 0.366 1.00 0.00 C ATOM 0 H LEU A 69 3.793 5.754 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 69 2.561 7.384 -0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.917 4.626 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.585 4.776 0.462 1.00 0.00 H new ATOM 0 HG LEU A 69 0.869 4.488 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.547 4.588 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.996 3.648 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.162 5.318 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.235 6.421 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.344 7.224 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.682 6.900 -0.654 1.00 0.00 H new ATOM 1108 N VAL A 70 5.703 6.507 0.001 1.00 0.00 N ATOM 1109 CA VAL A 70 6.873 6.742 0.886 1.00 0.00 C ATOM 1110 C VAL A 70 6.841 8.172 1.403 1.00 0.00 C ATOM 1111 O VAL A 70 7.141 8.422 2.547 1.00 0.00 O ATOM 1112 CB VAL A 70 8.197 6.488 0.146 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.545 7.665 -0.771 1.00 0.00 C ATOM 1114 CG2 VAL A 70 9.320 6.331 1.176 1.00 0.00 C ATOM 0 H VAL A 70 5.902 5.992 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 70 6.814 6.043 1.721 1.00 0.00 H new ATOM 0 HB VAL A 70 8.089 5.586 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.485 7.462 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.753 7.799 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.645 8.573 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.263 6.150 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.399 7.242 1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.097 5.489 1.831 1.00 0.00 H new ATOM 1124 N LYS A 71 6.439 9.111 0.589 1.00 0.00 N ATOM 1125 CA LYS A 71 6.358 10.519 1.067 1.00 0.00 C ATOM 1126 C LYS A 71 5.039 10.690 1.820 1.00 0.00 C ATOM 1127 O LYS A 71 4.415 11.732 1.784 1.00 0.00 O ATOM 1128 CB LYS A 71 6.393 11.470 -0.132 1.00 0.00 C ATOM 1129 CG LYS A 71 5.410 10.983 -1.198 1.00 0.00 C ATOM 1130 CD LYS A 71 5.135 12.111 -2.193 1.00 0.00 C ATOM 1131 CE LYS A 71 3.667 12.071 -2.616 1.00 0.00 C ATOM 1132 NZ LYS A 71 3.482 12.900 -3.839 1.00 0.00 N ATOM 0 H LYS A 71 6.164 8.964 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 71 7.199 10.746 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.132 12.480 0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.401 11.515 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.821 10.117 -1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.479 10.662 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.368 13.075 -1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.779 12.005 -3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.361 11.043 -2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.035 12.445 -1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.483 12.874 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.759 13.882 -3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.075 12.524 -4.606 1.00 0.00 H new ATOM 1146 N LYS A 72 4.610 9.658 2.496 1.00 0.00 N ATOM 1147 CA LYS A 72 3.340 9.717 3.247 1.00 0.00 C ATOM 1148 C LYS A 72 3.530 9.046 4.611 1.00 0.00 C ATOM 1149 O LYS A 72 2.570 8.712 5.279 1.00 0.00 O ATOM 1150 CB LYS A 72 2.251 8.977 2.464 1.00 0.00 C ATOM 1151 CG LYS A 72 2.169 9.527 1.035 1.00 0.00 C ATOM 1152 CD LYS A 72 1.943 11.041 1.072 1.00 0.00 C ATOM 1153 CE LYS A 72 0.494 11.354 0.689 1.00 0.00 C ATOM 1154 NZ LYS A 72 0.455 11.956 -0.674 1.00 0.00 N ATOM 0 H LYS A 72 5.100 8.765 2.555 1.00 0.00 H new ATOM 0 HA LYS A 72 3.044 10.757 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.470 7.910 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.289 9.094 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.089 9.301 0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.356 9.042 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.158 11.427 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.627 11.538 0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.104 10.443 0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.056 12.041 1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.530 12.168 -0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.011 12.835 -0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.856 11.286 -1.361 1.00 0.00 H new ATOM 1168 N ILE A 73 4.754 8.801 5.023 1.00 0.00 N ATOM 1169 CA ILE A 73 4.953 8.101 6.333 1.00 0.00 C ATOM 1170 C ILE A 73 5.619 8.950 7.370 1.00 0.00 C ATOM 1171 O ILE A 73 5.281 8.897 8.535 1.00 0.00 O ATOM 1172 CB ILE A 73 5.942 6.967 6.175 1.00 0.00 C ATOM 1173 CG1 ILE A 73 5.813 6.359 4.812 1.00 0.00 C ATOM 1174 CG2 ILE A 73 5.721 5.937 7.271 1.00 0.00 C ATOM 1175 CD1 ILE A 73 4.567 5.470 4.759 1.00 0.00 C ATOM 0 H ILE A 73 5.606 9.050 4.521 1.00 0.00 H new ATOM 0 HA ILE A 73 3.947 7.804 6.630 1.00 0.00 H new ATOM 0 HB ILE A 73 6.958 7.350 6.272 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.744 7.143 4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.701 5.771 4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.435 5.122 7.154 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.862 6.406 8.245 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.707 5.544 7.201 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.476 5.029 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.654 4.677 5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.682 6.070 4.972 1.00 0.00 H new ATOM 1187 N SER A 74 6.672 9.592 6.978 1.00 0.00 N ATOM 1188 CA SER A 74 7.498 10.298 7.960 1.00 0.00 C ATOM 1189 C SER A 74 6.658 10.849 9.117 1.00 0.00 C ATOM 1190 O SER A 74 6.909 10.559 10.271 1.00 0.00 O ATOM 1191 CB SER A 74 8.282 11.434 7.305 1.00 0.00 C ATOM 1192 OG SER A 74 7.726 12.684 7.701 1.00 0.00 O ATOM 0 H SER A 74 6.993 9.655 6.012 1.00 0.00 H new ATOM 0 HA SER A 74 8.201 9.569 8.364 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.331 11.382 7.597 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.247 11.336 6.220 1.00 0.00 H new ATOM 0 HG SER A 74 8.430 13.366 7.714 1.00 0.00 H new ATOM 1198 N GLN A 75 5.666 11.642 8.819 1.00 0.00 N ATOM 1199 CA GLN A 75 4.816 12.208 9.903 1.00 0.00 C ATOM 1200 C GLN A 75 4.005 13.383 9.357 1.00 0.00 C ATOM 1201 O GLN A 75 4.482 14.031 8.439 1.00 0.00 O ATOM 1202 CB GLN A 75 5.712 12.688 11.048 1.00 0.00 C ATOM 1203 CG GLN A 75 5.497 11.799 12.273 1.00 0.00 C ATOM 1204 CD GLN A 75 5.769 12.607 13.542 1.00 0.00 C ATOM 1205 OE1 GLN A 75 4.857 13.124 14.154 1.00 0.00 O ATOM 1206 NE2 GLN A 75 6.996 12.739 13.966 1.00 0.00 N ATOM 1207 OXT GLN A 75 2.921 13.616 9.865 1.00 0.00 O ATOM 0 H GLN A 75 5.408 11.922 7.873 1.00 0.00 H new ATOM 0 HA GLN A 75 4.134 11.442 10.271 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.758 12.657 10.743 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.482 13.725 11.293 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.476 11.417 12.284 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.160 10.935 12.230 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.763 12.305 13.452 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.188 13.276 14.811 1.00 0.00 H new TER 1216 GLN A 75