USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 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 9 ASN : amide:sc= 1.03 K(o=2.3,f=-8.6!) USER MOD Set 1.2: A 21 LYS NZ :NH3+ 166:sc= 1.25 (180deg=0) USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0194) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.34 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.073) USER MOD Single : A 3 HIS : no HD1:sc= -0.768 X(o=-0.77,f=-0.37) USER MOD Single : A 16 ASN : amide:sc= -0.607 X(o=-0.61,f=-0.17) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 23 THR OG1 : rot -37:sc= 0.104 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -75:sc= 0.633 USER MOD Single : A 33 ASN : amide:sc= 0.402 K(o=0.4,f=-0.37) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.551 K(o=0.55,f=0) USER MOD Single : A 47 THR OG1 : rot 78:sc= 0.484 USER MOD Single : A 52 TYR OH : rot -159:sc= 0.177 USER MOD Single : A 56 SER OG : rot 35:sc= 0.121 USER MOD Single : A 63 SER OG : rot 180:sc= 0.23 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot -73:sc= 0.992 USER MOD Single : A 69 THR OG1 : rot 38:sc= 1.19 USER MOD Single : A 72 SER OG : rot -150:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.803 K(o=-0.8,f=0.22) USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= 0.919 (180deg=0.73) USER MOD Single : A 82 SER OG : rot 80:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.301 -8.282 -5.758 1.00 0.00 N ATOM 2 CA MET A 1 -6.893 -7.979 -5.399 1.00 0.00 C ATOM 3 C MET A 1 -6.278 -9.172 -4.661 1.00 0.00 C ATOM 4 O MET A 1 -6.906 -9.753 -3.779 1.00 0.00 O ATOM 5 CB MET A 1 -6.801 -6.692 -4.528 1.00 0.00 C ATOM 6 CG MET A 1 -7.019 -5.383 -5.295 1.00 0.00 C ATOM 7 SD MET A 1 -8.596 -5.315 -6.184 1.00 0.00 S ATOM 8 CE MET A 1 -9.784 -5.232 -4.842 1.00 0.00 C ATOM 0 H1 MET A 1 -8.816 -7.394 -5.925 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.322 -8.861 -6.621 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.753 -8.803 -4.980 1.00 0.00 H new ATOM 0 HA MET A 1 -6.333 -7.800 -6.317 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.540 -6.757 -3.729 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.820 -6.660 -4.053 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.970 -4.549 -4.595 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.204 -5.249 -6.007 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.787 -5.114 -5.251 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.736 -6.150 -4.256 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.551 -4.381 -4.202 1.00 0.00 H new ATOM 18 N GLN A 2 -5.063 -9.547 -5.072 1.00 0.00 N ATOM 19 CA GLN A 2 -4.263 -10.618 -4.443 1.00 0.00 C ATOM 20 C GLN A 2 -3.218 -10.023 -3.475 1.00 0.00 C ATOM 21 O GLN A 2 -2.943 -10.582 -2.402 1.00 0.00 O ATOM 22 CB GLN A 2 -3.552 -11.457 -5.541 1.00 0.00 C ATOM 23 CG GLN A 2 -2.762 -10.622 -6.592 1.00 0.00 C ATOM 24 CD GLN A 2 -1.642 -11.384 -7.290 1.00 0.00 C ATOM 25 OE1 GLN A 2 -1.361 -11.165 -8.466 1.00 0.00 O ATOM 26 NE2 GLN A 2 -0.935 -12.213 -6.539 1.00 0.00 N ATOM 0 H GLN A 2 -4.594 -9.111 -5.865 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.932 -11.262 -3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.865 -12.152 -5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.299 -12.056 -6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.459 -10.255 -7.345 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.337 -9.748 -6.098 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.198 -12.370 -5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.127 -12.695 -6.933 1.00 0.00 H new ATOM 35 N HIS A 3 -2.666 -8.862 -3.865 1.00 0.00 N ATOM 36 CA HIS A 3 -1.495 -8.251 -3.222 1.00 0.00 C ATOM 37 C HIS A 3 -1.827 -7.590 -1.884 1.00 0.00 C ATOM 38 O HIS A 3 -0.906 -7.262 -1.152 1.00 0.00 O ATOM 39 CB HIS A 3 -0.829 -7.218 -4.162 1.00 0.00 C ATOM 40 CG HIS A 3 -0.174 -7.788 -5.393 1.00 0.00 C ATOM 41 ND1 HIS A 3 0.543 -8.959 -5.387 1.00 0.00 N ATOM 42 CD2 HIS A 3 -0.087 -7.307 -6.657 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.046 -9.174 -6.584 1.00 0.00 C ATOM 44 NE2 HIS A 3 0.678 -8.187 -7.375 1.00 0.00 N ATOM 0 H HIS A 3 -3.027 -8.315 -4.647 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.800 -9.066 -3.020 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.585 -6.497 -4.475 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.079 -6.667 -3.595 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.537 -6.399 -7.029 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.657 -10.017 -6.870 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.923 -8.094 -8.361 1.00 0.00 H new ATOM 53 N LEU A 4 -3.133 -7.414 -1.577 1.00 0.00 N ATOM 54 CA LEU A 4 -3.600 -6.782 -0.305 1.00 0.00 C ATOM 55 C LEU A 4 -3.017 -7.492 0.939 1.00 0.00 C ATOM 56 O LEU A 4 -2.782 -6.861 1.977 1.00 0.00 O ATOM 57 CB LEU A 4 -5.164 -6.751 -0.210 1.00 0.00 C ATOM 58 CG LEU A 4 -5.908 -8.084 0.168 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.422 -7.853 0.344 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.648 -9.215 -0.851 1.00 0.00 C ATOM 0 H LEU A 4 -3.893 -7.701 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.233 -5.756 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.439 -5.995 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.550 -6.414 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.494 -8.406 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.906 -8.794 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.589 -7.127 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.843 -7.475 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.184 -10.113 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.996 -8.904 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.580 -9.428 -0.894 1.00 0.00 H new ATOM 72 N GLU A 5 -2.783 -8.810 0.793 1.00 0.00 N ATOM 73 CA GLU A 5 -2.247 -9.664 1.850 1.00 0.00 C ATOM 74 C GLU A 5 -0.772 -9.315 2.138 1.00 0.00 C ATOM 75 O GLU A 5 -0.362 -9.200 3.299 1.00 0.00 O ATOM 76 CB GLU A 5 -2.393 -11.148 1.436 1.00 0.00 C ATOM 77 CG GLU A 5 -1.817 -12.166 2.441 1.00 0.00 C ATOM 78 CD GLU A 5 -1.949 -13.612 1.953 1.00 0.00 C ATOM 79 OE1 GLU A 5 -1.218 -13.994 1.017 1.00 0.00 O ATOM 80 OE2 GLU A 5 -2.786 -14.371 2.490 1.00 0.00 O ATOM 0 H GLU A 5 -2.966 -9.310 -0.077 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.811 -9.495 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.451 -11.366 1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.900 -11.291 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.765 -11.941 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.332 -12.060 3.396 1.00 0.00 H new ATOM 87 N ALA A 6 0.013 -9.139 1.065 1.00 0.00 N ATOM 88 CA ALA A 6 1.428 -8.759 1.169 1.00 0.00 C ATOM 89 C ALA A 6 1.589 -7.305 1.656 1.00 0.00 C ATOM 90 O ALA A 6 2.538 -7.000 2.372 1.00 0.00 O ATOM 91 CB ALA A 6 2.138 -8.980 -0.164 1.00 0.00 C ATOM 0 H ALA A 6 -0.314 -9.256 0.106 1.00 0.00 H new ATOM 0 HA ALA A 6 1.896 -9.400 1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.186 -8.694 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.073 -10.032 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.663 -8.372 -0.934 1.00 0.00 H new ATOM 97 N VAL A 7 0.630 -6.430 1.294 1.00 0.00 N ATOM 98 CA VAL A 7 0.634 -5.021 1.712 1.00 0.00 C ATOM 99 C VAL A 7 0.396 -4.923 3.234 1.00 0.00 C ATOM 100 O VAL A 7 1.137 -4.231 3.936 1.00 0.00 O ATOM 101 CB VAL A 7 -0.451 -4.160 0.957 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.460 -2.709 1.494 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.242 -4.166 -0.579 1.00 0.00 C ATOM 0 H VAL A 7 -0.164 -6.682 0.706 1.00 0.00 H new ATOM 0 HA VAL A 7 1.613 -4.616 1.454 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.419 -4.620 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.214 -2.129 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.692 -2.717 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.520 -2.258 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.014 -3.560 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.739 -3.754 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.305 -5.189 -0.951 1.00 0.00 H new ATOM 113 N ARG A 8 -0.629 -5.657 3.730 1.00 0.00 N ATOM 114 CA ARG A 8 -0.996 -5.652 5.167 1.00 0.00 C ATOM 115 C ARG A 8 0.106 -6.322 5.991 1.00 0.00 C ATOM 116 O ARG A 8 0.346 -5.938 7.136 1.00 0.00 O ATOM 117 CB ARG A 8 -2.373 -6.326 5.423 1.00 0.00 C ATOM 118 CG ARG A 8 -2.419 -7.850 5.222 1.00 0.00 C ATOM 119 CD ARG A 8 -3.824 -8.442 5.374 1.00 0.00 C ATOM 120 NE ARG A 8 -3.795 -9.909 5.260 1.00 0.00 N ATOM 121 CZ ARG A 8 -4.754 -10.739 5.690 1.00 0.00 C ATOM 122 NH1 ARG A 8 -5.836 -10.280 6.303 1.00 0.00 N ATOM 123 NH2 ARG A 8 -4.616 -12.043 5.517 1.00 0.00 N ATOM 0 H ARG A 8 -1.217 -6.261 3.155 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.093 -4.613 5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.681 -6.104 6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.109 -5.869 4.762 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.037 -8.090 4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.753 -8.324 5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.240 -8.157 6.341 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.481 -8.027 4.610 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.977 -10.328 4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.950 -9.278 6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.555 -10.929 6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.783 -12.411 5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.343 -12.680 5.842 1.00 0.00 H new ATOM 137 N ASN A 9 0.808 -7.287 5.361 1.00 0.00 N ATOM 138 CA ASN A 9 1.979 -7.951 5.948 1.00 0.00 C ATOM 139 C ASN A 9 3.088 -6.914 6.232 1.00 0.00 C ATOM 140 O ASN A 9 3.673 -6.889 7.326 1.00 0.00 O ATOM 141 CB ASN A 9 2.485 -9.056 4.981 1.00 0.00 C ATOM 142 CG ASN A 9 3.791 -9.730 5.407 1.00 0.00 C ATOM 143 OD1 ASN A 9 4.088 -9.870 6.589 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.590 -10.131 4.439 1.00 0.00 N ATOM 0 H ASN A 9 0.573 -7.625 4.428 1.00 0.00 H new ATOM 0 HA ASN A 9 1.701 -8.416 6.894 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.712 -9.819 4.887 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.623 -8.619 3.992 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.482 -10.571 4.664 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.316 -10.001 3.465 1.00 0.00 H new ATOM 151 N ILE A 10 3.330 -6.055 5.229 1.00 0.00 N ATOM 152 CA ILE A 10 4.299 -4.944 5.304 1.00 0.00 C ATOM 153 C ILE A 10 3.927 -3.947 6.419 1.00 0.00 C ATOM 154 O ILE A 10 4.789 -3.517 7.183 1.00 0.00 O ATOM 155 CB ILE A 10 4.382 -4.201 3.918 1.00 0.00 C ATOM 156 CG1 ILE A 10 4.986 -5.143 2.834 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.168 -2.875 4.005 1.00 0.00 C ATOM 158 CD1 ILE A 10 4.995 -4.572 1.433 1.00 0.00 C ATOM 0 H ILE A 10 2.853 -6.111 4.329 1.00 0.00 H new ATOM 0 HA ILE A 10 5.275 -5.367 5.544 1.00 0.00 H new ATOM 0 HB ILE A 10 3.365 -3.939 3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.009 -5.391 3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.422 -6.076 2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.195 -2.403 3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.679 -2.208 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.186 -3.077 4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.433 -5.297 0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.973 -4.351 1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.585 -3.656 1.417 1.00 0.00 H new ATOM 170 N LEU A 11 2.635 -3.593 6.492 1.00 0.00 N ATOM 171 CA LEU A 11 2.111 -2.662 7.512 1.00 0.00 C ATOM 172 C LEU A 11 2.307 -3.228 8.931 1.00 0.00 C ATOM 173 O LEU A 11 2.639 -2.494 9.861 1.00 0.00 O ATOM 174 CB LEU A 11 0.613 -2.371 7.243 1.00 0.00 C ATOM 175 CG LEU A 11 0.281 -1.764 5.843 1.00 0.00 C ATOM 176 CD1 LEU A 11 -1.231 -1.836 5.554 1.00 0.00 C ATOM 177 CD2 LEU A 11 0.814 -0.315 5.702 1.00 0.00 C ATOM 0 H LEU A 11 1.923 -3.941 5.849 1.00 0.00 H new ATOM 0 HA LEU A 11 2.670 -1.728 7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.055 -3.301 7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.252 -1.686 8.010 1.00 0.00 H new ATOM 0 HG LEU A 11 0.795 -2.368 5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.435 -1.407 4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.555 -2.877 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.774 -1.276 6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.562 0.071 4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.358 0.316 6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.897 -0.312 5.828 1.00 0.00 H new ATOM 189 N GLY A 12 2.123 -4.550 9.071 1.00 0.00 N ATOM 190 CA GLY A 12 2.344 -5.227 10.342 1.00 0.00 C ATOM 191 C GLY A 12 3.810 -5.373 10.702 1.00 0.00 C ATOM 192 O GLY A 12 4.152 -5.475 11.889 1.00 0.00 O ATOM 0 H GLY A 12 1.822 -5.165 8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.837 -4.674 11.132 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.887 -6.216 10.302 1.00 0.00 H new ATOM 196 N ASP A 13 4.670 -5.389 9.668 1.00 0.00 N ATOM 197 CA ASP A 13 6.133 -5.470 9.824 1.00 0.00 C ATOM 198 C ASP A 13 6.696 -4.134 10.329 1.00 0.00 C ATOM 199 O ASP A 13 7.416 -4.089 11.332 1.00 0.00 O ATOM 200 CB ASP A 13 6.774 -5.874 8.458 1.00 0.00 C ATOM 201 CG ASP A 13 8.320 -5.836 8.437 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.960 -6.848 8.806 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.903 -4.802 8.040 1.00 0.00 O ATOM 0 H ASP A 13 4.367 -5.346 8.695 1.00 0.00 H new ATOM 0 HA ASP A 13 6.379 -6.229 10.566 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.445 -6.881 8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.397 -5.207 7.683 1.00 0.00 H new ATOM 208 N VAL A 14 6.324 -3.048 9.639 1.00 0.00 N ATOM 209 CA VAL A 14 6.875 -1.710 9.889 1.00 0.00 C ATOM 210 C VAL A 14 6.246 -1.091 11.145 1.00 0.00 C ATOM 211 O VAL A 14 6.948 -0.714 12.089 1.00 0.00 O ATOM 212 CB VAL A 14 6.634 -0.765 8.656 1.00 0.00 C ATOM 213 CG1 VAL A 14 7.191 0.652 8.915 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.226 -1.378 7.367 1.00 0.00 C ATOM 0 H VAL A 14 5.631 -3.073 8.891 1.00 0.00 H new ATOM 0 HA VAL A 14 7.948 -1.817 10.045 1.00 0.00 H new ATOM 0 HB VAL A 14 5.558 -0.669 8.515 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.008 1.280 8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.695 1.085 9.784 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.263 0.593 9.101 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.046 -0.705 6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.299 -1.523 7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.751 -2.339 7.170 1.00 0.00 H new ATOM 224 N LEU A 15 4.907 -1.025 11.143 1.00 0.00 N ATOM 225 CA LEU A 15 4.125 -0.309 12.176 1.00 0.00 C ATOM 226 C LEU A 15 3.900 -1.202 13.417 1.00 0.00 C ATOM 227 O LEU A 15 3.296 -0.756 14.401 1.00 0.00 O ATOM 228 CB LEU A 15 2.774 0.161 11.573 1.00 0.00 C ATOM 229 CG LEU A 15 2.848 0.926 10.215 1.00 0.00 C ATOM 230 CD1 LEU A 15 1.435 1.195 9.643 1.00 0.00 C ATOM 231 CD2 LEU A 15 3.669 2.226 10.354 1.00 0.00 C ATOM 0 H LEU A 15 4.330 -1.465 10.427 1.00 0.00 H new ATOM 0 HA LEU A 15 4.687 0.566 12.503 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.138 -0.714 11.438 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.281 0.805 12.301 1.00 0.00 H new ATOM 0 HG LEU A 15 3.367 0.289 9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.521 1.729 8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.922 0.247 9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.865 1.798 10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.704 2.739 9.393 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.201 2.875 11.094 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.683 1.984 10.673 1.00 0.00 H new ATOM 243 N ASN A 16 4.362 -2.477 13.320 1.00 0.00 N ATOM 244 CA ASN A 16 4.424 -3.436 14.441 1.00 0.00 C ATOM 245 C ASN A 16 3.013 -3.857 14.903 1.00 0.00 C ATOM 246 O ASN A 16 2.716 -3.913 16.099 1.00 0.00 O ATOM 247 CB ASN A 16 5.312 -2.863 15.601 1.00 0.00 C ATOM 248 CG ASN A 16 5.598 -3.840 16.759 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.725 -3.428 17.912 1.00 0.00 O ATOM 250 ND2 ASN A 16 5.758 -5.127 16.462 1.00 0.00 N ATOM 0 H ASN A 16 4.706 -2.868 12.443 1.00 0.00 H new ATOM 0 HA ASN A 16 4.906 -4.351 14.096 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.263 -2.536 15.180 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.822 -1.978 16.007 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.991 -5.795 17.197 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.648 -5.446 15.499 1.00 0.00 H new ATOM 257 N LEU A 17 2.134 -4.152 13.928 1.00 0.00 N ATOM 258 CA LEU A 17 0.782 -4.694 14.207 1.00 0.00 C ATOM 259 C LEU A 17 0.877 -6.170 14.644 1.00 0.00 C ATOM 260 O LEU A 17 0.108 -6.617 15.503 1.00 0.00 O ATOM 261 CB LEU A 17 -0.165 -4.550 12.970 1.00 0.00 C ATOM 262 CG LEU A 17 -0.795 -3.135 12.721 1.00 0.00 C ATOM 263 CD1 LEU A 17 0.266 -2.053 12.510 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.785 -3.166 11.532 1.00 0.00 C ATOM 0 H LEU A 17 2.332 -4.025 12.936 1.00 0.00 H new ATOM 0 HA LEU A 17 0.352 -4.110 15.020 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.395 -4.834 12.079 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.977 -5.269 13.079 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.346 -2.875 13.625 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.222 -1.093 12.342 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.900 -1.988 13.394 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.877 -2.306 11.643 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.206 -2.172 11.383 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.259 -3.477 10.629 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.588 -3.872 11.745 1.00 0.00 H new ATOM 276 N GLY A 18 1.831 -6.908 14.029 1.00 0.00 N ATOM 277 CA GLY A 18 2.042 -8.331 14.306 1.00 0.00 C ATOM 278 C GLY A 18 0.857 -9.197 13.876 1.00 0.00 C ATOM 279 O GLY A 18 0.830 -9.694 12.752 1.00 0.00 O ATOM 0 H GLY A 18 2.469 -6.526 13.331 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.940 -8.669 13.789 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.218 -8.467 15.373 1.00 0.00 H new ATOM 283 N GLU A 19 -0.132 -9.347 14.778 1.00 0.00 N ATOM 284 CA GLU A 19 -1.373 -10.116 14.513 1.00 0.00 C ATOM 285 C GLU A 19 -2.473 -9.210 13.923 1.00 0.00 C ATOM 286 O GLU A 19 -3.341 -9.674 13.166 1.00 0.00 O ATOM 287 CB GLU A 19 -1.893 -10.773 15.821 1.00 0.00 C ATOM 288 CG GLU A 19 -2.232 -9.774 16.954 1.00 0.00 C ATOM 289 CD GLU A 19 -2.958 -10.421 18.147 1.00 0.00 C ATOM 290 OE1 GLU A 19 -2.294 -11.051 18.988 1.00 0.00 O ATOM 291 OE2 GLU A 19 -4.195 -10.304 18.246 1.00 0.00 O ATOM 0 H GLU A 19 -0.097 -8.940 15.713 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.132 -10.893 13.787 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.785 -11.356 15.590 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.140 -11.473 16.185 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.310 -9.311 17.307 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.855 -8.976 16.550 1.00 0.00 H new ATOM 298 N ARG A 20 -2.408 -7.910 14.277 1.00 0.00 N ATOM 299 CA ARG A 20 -3.444 -6.907 13.936 1.00 0.00 C ATOM 300 C ARG A 20 -3.473 -6.658 12.404 1.00 0.00 C ATOM 301 O ARG A 20 -4.491 -6.248 11.847 1.00 0.00 O ATOM 302 CB ARG A 20 -3.194 -5.598 14.764 1.00 0.00 C ATOM 303 CG ARG A 20 -4.436 -4.711 15.077 1.00 0.00 C ATOM 304 CD ARG A 20 -4.961 -3.912 13.878 1.00 0.00 C ATOM 305 NE ARG A 20 -6.152 -3.130 14.227 1.00 0.00 N ATOM 306 CZ ARG A 20 -7.057 -2.666 13.359 1.00 0.00 C ATOM 307 NH1 ARG A 20 -6.911 -2.842 12.047 1.00 0.00 N ATOM 308 NH2 ARG A 20 -8.115 -2.024 13.818 1.00 0.00 N ATOM 0 H ARG A 20 -1.631 -7.522 14.811 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.432 -7.281 14.205 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.731 -5.879 15.710 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.470 -4.988 14.224 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.237 -5.348 15.453 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.179 -4.016 15.877 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.180 -3.243 13.516 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.200 -4.594 13.062 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.302 -2.923 15.214 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.097 -3.339 11.687 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.614 -2.480 11.403 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.233 -1.888 14.822 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.814 -1.664 13.169 1.00 0.00 H new ATOM 322 N LYS A 21 -2.353 -6.953 11.733 1.00 0.00 N ATOM 323 CA LYS A 21 -2.243 -6.846 10.268 1.00 0.00 C ATOM 324 C LYS A 21 -3.136 -7.893 9.564 1.00 0.00 C ATOM 325 O LYS A 21 -3.621 -7.665 8.464 1.00 0.00 O ATOM 326 CB LYS A 21 -0.778 -7.027 9.835 1.00 0.00 C ATOM 327 CG LYS A 21 -0.260 -8.459 9.986 1.00 0.00 C ATOM 328 CD LYS A 21 1.195 -8.637 9.539 1.00 0.00 C ATOM 329 CE LYS A 21 1.544 -10.110 9.388 1.00 0.00 C ATOM 330 NZ LYS A 21 2.965 -10.323 9.034 1.00 0.00 N ATOM 0 H LYS A 21 -1.497 -7.272 12.187 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.586 -5.854 9.973 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.677 -6.722 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.150 -6.360 10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.350 -8.761 11.030 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.894 -9.129 9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.353 -8.123 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.862 -8.175 10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.324 -10.630 10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.911 -10.553 8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.211 -11.324 9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.117 -10.064 8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.567 -9.731 9.641 1.00 0.00 H new ATOM 344 N HIS A 22 -3.351 -9.037 10.235 1.00 0.00 N ATOM 345 CA HIS A 22 -4.053 -10.198 9.658 1.00 0.00 C ATOM 346 C HIS A 22 -5.547 -10.173 10.036 1.00 0.00 C ATOM 347 O HIS A 22 -6.368 -10.831 9.383 1.00 0.00 O ATOM 348 CB HIS A 22 -3.364 -11.504 10.133 1.00 0.00 C ATOM 349 CG HIS A 22 -3.895 -12.764 9.496 1.00 0.00 C ATOM 350 ND1 HIS A 22 -4.954 -13.482 10.004 1.00 0.00 N ATOM 351 CD2 HIS A 22 -3.499 -13.426 8.387 1.00 0.00 C ATOM 352 CE1 HIS A 22 -5.183 -14.526 9.240 1.00 0.00 C ATOM 353 NE2 HIS A 22 -4.316 -14.520 8.248 1.00 0.00 N ATOM 0 H HIS A 22 -3.042 -9.184 11.196 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.996 -10.154 8.570 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.296 -11.431 9.927 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.475 -11.585 11.214 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.689 -13.146 7.730 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.954 -15.266 9.399 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.261 -15.213 7.501 1.00 0.00 H new ATOM 362 N THR A 23 -5.897 -9.401 11.095 1.00 0.00 N ATOM 363 CA THR A 23 -7.303 -9.221 11.525 1.00 0.00 C ATOM 364 C THR A 23 -8.016 -8.153 10.665 1.00 0.00 C ATOM 365 O THR A 23 -9.244 -7.998 10.748 1.00 0.00 O ATOM 366 CB THR A 23 -7.423 -8.849 13.052 1.00 0.00 C ATOM 367 OG1 THR A 23 -8.770 -9.047 13.515 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.028 -7.394 13.353 1.00 0.00 C ATOM 0 H THR A 23 -5.222 -8.893 11.667 1.00 0.00 H new ATOM 0 HA THR A 23 -7.795 -10.183 11.379 1.00 0.00 H new ATOM 0 HB THR A 23 -6.728 -9.509 13.571 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.400 -8.786 12.811 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.133 -7.202 14.421 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.993 -7.229 13.054 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.678 -6.718 12.798 1.00 0.00 H new ATOM 376 N LEU A 24 -7.239 -7.406 9.850 1.00 0.00 N ATOM 377 CA LEU A 24 -7.782 -6.360 8.969 1.00 0.00 C ATOM 378 C LEU A 24 -7.854 -6.862 7.512 1.00 0.00 C ATOM 379 O LEU A 24 -7.077 -7.736 7.103 1.00 0.00 O ATOM 380 CB LEU A 24 -6.994 -5.019 9.140 1.00 0.00 C ATOM 381 CG LEU A 24 -5.456 -4.966 8.825 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.148 -4.976 7.311 1.00 0.00 C ATOM 383 CD2 LEU A 24 -4.797 -3.734 9.489 1.00 0.00 C ATOM 0 H LEU A 24 -6.227 -7.513 9.788 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.808 -6.137 9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.480 -4.275 8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.125 -4.696 10.173 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.030 -5.876 9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.069 -4.938 7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.545 -5.888 6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.612 -4.109 6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.732 -3.721 9.255 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.263 -2.824 9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.931 -3.788 10.569 1.00 0.00 H new ATOM 395 N THR A 25 -8.803 -6.287 6.748 1.00 0.00 N ATOM 396 CA THR A 25 -9.124 -6.695 5.362 1.00 0.00 C ATOM 397 C THR A 25 -8.975 -5.489 4.405 1.00 0.00 C ATOM 398 O THR A 25 -8.491 -4.435 4.813 1.00 0.00 O ATOM 399 CB THR A 25 -10.590 -7.257 5.282 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.533 -6.230 5.651 1.00 0.00 O ATOM 401 CG2 THR A 25 -10.803 -8.491 6.182 1.00 0.00 C ATOM 0 H THR A 25 -9.379 -5.513 7.080 1.00 0.00 H new ATOM 0 HA THR A 25 -8.428 -7.479 5.062 1.00 0.00 H new ATOM 0 HB THR A 25 -10.753 -7.569 4.250 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.444 -6.588 5.597 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.832 -8.837 6.087 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.123 -9.286 5.876 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.604 -8.223 7.220 1.00 0.00 H new ATOM 409 N ALA A 26 -9.398 -5.649 3.133 1.00 0.00 N ATOM 410 CA ALA A 26 -9.324 -4.578 2.109 1.00 0.00 C ATOM 411 C ALA A 26 -10.125 -3.322 2.514 1.00 0.00 C ATOM 412 O ALA A 26 -9.783 -2.206 2.116 1.00 0.00 O ATOM 413 CB ALA A 26 -9.823 -5.103 0.758 1.00 0.00 C ATOM 0 H ALA A 26 -9.799 -6.520 2.785 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.278 -4.285 2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.764 -4.308 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.203 -5.942 0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.857 -5.433 0.855 1.00 0.00 H new ATOM 419 N SER A 27 -11.188 -3.527 3.314 1.00 0.00 N ATOM 420 CA SER A 27 -12.083 -2.452 3.771 1.00 0.00 C ATOM 421 C SER A 27 -11.437 -1.585 4.871 1.00 0.00 C ATOM 422 O SER A 27 -11.776 -0.399 5.005 1.00 0.00 O ATOM 423 CB SER A 27 -13.415 -3.049 4.274 1.00 0.00 C ATOM 424 OG SER A 27 -14.084 -3.765 3.244 1.00 0.00 O ATOM 0 H SER A 27 -11.450 -4.449 3.662 1.00 0.00 H new ATOM 0 HA SER A 27 -12.275 -1.802 2.918 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.222 -3.714 5.116 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.059 -2.249 4.640 1.00 0.00 H new ATOM 0 HG SER A 27 -14.923 -4.133 3.593 1.00 0.00 H new ATOM 430 N SER A 28 -10.493 -2.177 5.636 1.00 0.00 N ATOM 431 CA SER A 28 -9.896 -1.528 6.819 1.00 0.00 C ATOM 432 C SER A 28 -9.125 -0.263 6.431 1.00 0.00 C ATOM 433 O SER A 28 -8.301 -0.281 5.505 1.00 0.00 O ATOM 434 CB SER A 28 -8.955 -2.488 7.566 1.00 0.00 C ATOM 435 OG SER A 28 -7.795 -2.790 6.809 1.00 0.00 O ATOM 0 H SER A 28 -10.127 -3.111 5.451 1.00 0.00 H new ATOM 0 HA SER A 28 -10.719 -1.252 7.478 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.662 -2.042 8.516 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.487 -3.411 7.798 1.00 0.00 H new ATOM 0 HG SER A 28 -8.026 -3.418 6.093 1.00 0.00 H new ATOM 441 N VAL A 29 -9.398 0.821 7.163 1.00 0.00 N ATOM 442 CA VAL A 29 -8.762 2.121 6.961 1.00 0.00 C ATOM 443 C VAL A 29 -7.344 2.071 7.564 1.00 0.00 C ATOM 444 O VAL A 29 -7.098 1.321 8.521 1.00 0.00 O ATOM 445 CB VAL A 29 -9.625 3.263 7.627 1.00 0.00 C ATOM 446 CG1 VAL A 29 -9.031 4.669 7.368 1.00 0.00 C ATOM 447 CG2 VAL A 29 -11.105 3.182 7.161 1.00 0.00 C ATOM 0 H VAL A 29 -10.078 0.817 7.923 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.692 2.343 5.896 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.598 3.102 8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.658 5.422 7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.024 4.720 7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.992 4.856 6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.679 3.979 7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.152 3.294 6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.523 2.216 7.444 1.00 0.00 H new ATOM 457 N LEU A 30 -6.405 2.827 6.989 1.00 0.00 N ATOM 458 CA LEU A 30 -5.020 2.875 7.476 1.00 0.00 C ATOM 459 C LEU A 30 -4.731 4.248 8.086 1.00 0.00 C ATOM 460 O LEU A 30 -4.522 4.355 9.300 1.00 0.00 O ATOM 461 CB LEU A 30 -4.034 2.536 6.339 1.00 0.00 C ATOM 462 CG LEU A 30 -4.265 1.163 5.632 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.183 0.919 4.576 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.356 -0.017 6.643 1.00 0.00 C ATOM 0 H LEU A 30 -6.580 3.420 6.178 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.886 2.125 8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.088 3.324 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.022 2.550 6.744 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.232 1.209 5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.357 -0.042 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.217 1.713 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.203 0.912 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.517 -0.949 6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.427 -0.083 7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.187 0.153 7.327 1.00 0.00 H new ATOM 476 N LEU A 31 -4.702 5.297 7.236 1.00 0.00 N ATOM 477 CA LEU A 31 -4.585 6.688 7.698 1.00 0.00 C ATOM 478 C LEU A 31 -5.744 7.034 8.655 1.00 0.00 C ATOM 479 O LEU A 31 -6.907 7.058 8.253 1.00 0.00 O ATOM 480 CB LEU A 31 -4.558 7.667 6.489 1.00 0.00 C ATOM 481 CG LEU A 31 -3.251 7.699 5.639 1.00 0.00 C ATOM 482 CD1 LEU A 31 -3.395 8.671 4.448 1.00 0.00 C ATOM 483 CD2 LEU A 31 -2.019 8.061 6.504 1.00 0.00 C ATOM 0 H LEU A 31 -4.759 5.201 6.222 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.646 6.795 8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.387 7.413 5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.745 8.674 6.863 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.090 6.696 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.471 8.677 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.219 8.348 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.596 9.675 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.126 8.074 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.164 9.045 6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.898 7.319 7.293 1.00 0.00 H new ATOM 495 N GLY A 32 -5.393 7.244 9.932 1.00 0.00 N ATOM 496 CA GLY A 32 -6.344 7.638 10.974 1.00 0.00 C ATOM 497 C GLY A 32 -6.815 6.476 11.840 1.00 0.00 C ATOM 498 O GLY A 32 -7.168 6.678 13.008 1.00 0.00 O ATOM 0 H GLY A 32 -4.436 7.144 10.270 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.881 8.391 11.611 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.210 8.106 10.506 1.00 0.00 H new ATOM 502 N ASN A 33 -6.844 5.254 11.271 1.00 0.00 N ATOM 503 CA ASN A 33 -7.288 4.044 11.999 1.00 0.00 C ATOM 504 C ASN A 33 -6.107 3.387 12.727 1.00 0.00 C ATOM 505 O ASN A 33 -6.213 3.052 13.908 1.00 0.00 O ATOM 506 CB ASN A 33 -7.950 3.037 11.031 1.00 0.00 C ATOM 507 CG ASN A 33 -8.574 1.813 11.728 1.00 0.00 C ATOM 508 OD1 ASN A 33 -9.078 1.908 12.846 1.00 0.00 O ATOM 509 ND2 ASN A 33 -8.543 0.659 11.075 1.00 0.00 N ATOM 0 H ASN A 33 -6.564 5.077 10.306 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.027 4.346 12.741 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.724 3.552 10.462 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.204 2.693 10.315 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.943 -0.178 11.499 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.119 0.608 10.149 1.00 0.00 H new ATOM 516 N ILE A 34 -4.972 3.211 12.017 1.00 0.00 N ATOM 517 CA ILE A 34 -3.750 2.638 12.604 1.00 0.00 C ATOM 518 C ILE A 34 -3.082 3.723 13.471 1.00 0.00 C ATOM 519 O ILE A 34 -2.628 4.735 12.922 1.00 0.00 O ATOM 520 CB ILE A 34 -2.713 2.140 11.522 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.399 1.255 10.423 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.526 1.395 12.191 1.00 0.00 C ATOM 523 CD1 ILE A 34 -4.138 0.017 10.926 1.00 0.00 C ATOM 0 H ILE A 34 -4.881 3.460 11.032 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.041 1.765 13.189 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.314 3.021 11.019 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.105 1.877 9.873 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.636 0.935 9.714 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.826 1.062 11.424 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.016 2.068 12.880 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.901 0.531 12.739 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.571 -0.517 10.080 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.439 -0.637 11.448 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.931 0.320 11.609 1.00 0.00 H new ATOM 535 N PRO A 35 -2.979 3.527 14.824 1.00 0.00 N ATOM 536 CA PRO A 35 -2.469 4.571 15.739 1.00 0.00 C ATOM 537 C PRO A 35 -0.936 4.745 15.656 1.00 0.00 C ATOM 538 O PRO A 35 -0.379 5.655 16.280 1.00 0.00 O ATOM 539 CB PRO A 35 -2.924 4.059 17.131 1.00 0.00 C ATOM 540 CG PRO A 35 -2.919 2.566 16.995 1.00 0.00 C ATOM 541 CD PRO A 35 -3.316 2.272 15.559 1.00 0.00 C ATOM 0 HA PRO A 35 -2.850 5.563 15.497 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.246 4.389 17.918 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.916 4.432 17.388 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.933 2.158 17.218 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.619 2.109 17.694 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.768 1.418 15.161 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.377 2.036 15.479 1.00 0.00 H new ATOM 549 N GLU A 36 -0.267 3.876 14.867 1.00 0.00 N ATOM 550 CA GLU A 36 1.201 3.888 14.704 1.00 0.00 C ATOM 551 C GLU A 36 1.595 4.429 13.320 1.00 0.00 C ATOM 552 O GLU A 36 2.786 4.519 13.005 1.00 0.00 O ATOM 553 CB GLU A 36 1.772 2.451 14.898 1.00 0.00 C ATOM 554 CG GLU A 36 1.270 1.717 16.163 1.00 0.00 C ATOM 555 CD GLU A 36 1.489 2.496 17.479 1.00 0.00 C ATOM 556 OE1 GLU A 36 2.644 2.639 17.918 1.00 0.00 O ATOM 557 OE2 GLU A 36 0.496 2.946 18.096 1.00 0.00 O ATOM 0 H GLU A 36 -0.731 3.147 14.326 1.00 0.00 H new ATOM 0 HA GLU A 36 1.624 4.547 15.462 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.517 1.853 14.023 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.860 2.510 14.937 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.206 1.509 16.050 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.777 0.755 16.236 1.00 0.00 H new ATOM 564 N LEU A 37 0.589 4.792 12.493 1.00 0.00 N ATOM 565 CA LEU A 37 0.830 5.312 11.140 1.00 0.00 C ATOM 566 C LEU A 37 0.849 6.853 11.176 1.00 0.00 C ATOM 567 O LEU A 37 -0.161 7.520 10.901 1.00 0.00 O ATOM 568 CB LEU A 37 -0.228 4.760 10.144 1.00 0.00 C ATOM 569 CG LEU A 37 0.002 5.117 8.638 1.00 0.00 C ATOM 570 CD1 LEU A 37 1.365 4.590 8.124 1.00 0.00 C ATOM 571 CD2 LEU A 37 -1.162 4.603 7.761 1.00 0.00 C ATOM 0 H LEU A 37 -0.397 4.732 12.745 1.00 0.00 H new ATOM 0 HA LEU A 37 1.803 4.972 10.785 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.258 3.675 10.240 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.208 5.133 10.441 1.00 0.00 H new ATOM 0 HG LEU A 37 0.027 6.204 8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.487 4.858 7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.171 5.035 8.708 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.398 3.505 8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.976 4.865 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.237 3.520 7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.095 5.061 8.089 1.00 0.00 H new ATOM 583 N ASP A 38 2.001 7.403 11.594 1.00 0.00 N ATOM 584 CA ASP A 38 2.261 8.856 11.638 1.00 0.00 C ATOM 585 C ASP A 38 3.009 9.307 10.357 1.00 0.00 C ATOM 586 O ASP A 38 3.060 8.575 9.368 1.00 0.00 O ATOM 587 CB ASP A 38 3.077 9.207 12.928 1.00 0.00 C ATOM 588 CG ASP A 38 4.454 8.512 12.992 1.00 0.00 C ATOM 589 OD1 ASP A 38 5.437 9.028 12.397 1.00 0.00 O ATOM 590 OD2 ASP A 38 4.560 7.438 13.623 1.00 0.00 O ATOM 0 H ASP A 38 2.791 6.844 11.916 1.00 0.00 H new ATOM 0 HA ASP A 38 1.313 9.393 11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.221 10.286 12.975 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.495 8.924 13.805 1.00 0.00 H new ATOM 595 N SER A 39 3.557 10.529 10.409 1.00 0.00 N ATOM 596 CA SER A 39 4.299 11.179 9.314 1.00 0.00 C ATOM 597 C SER A 39 5.456 10.300 8.756 1.00 0.00 C ATOM 598 O SER A 39 5.382 9.766 7.634 1.00 0.00 O ATOM 599 CB SER A 39 4.838 12.515 9.870 1.00 0.00 C ATOM 600 OG SER A 39 5.522 13.262 8.882 1.00 0.00 O ATOM 0 H SER A 39 3.495 11.114 11.242 1.00 0.00 H new ATOM 0 HA SER A 39 3.630 11.339 8.468 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.010 13.105 10.262 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.511 12.316 10.704 1.00 0.00 H new ATOM 0 HG SER A 39 5.846 14.101 9.272 1.00 0.00 H new ATOM 605 N MET A 40 6.512 10.112 9.559 1.00 0.00 N ATOM 606 CA MET A 40 7.675 9.316 9.139 1.00 0.00 C ATOM 607 C MET A 40 7.302 7.832 8.950 1.00 0.00 C ATOM 608 O MET A 40 7.960 7.115 8.194 1.00 0.00 O ATOM 609 CB MET A 40 8.847 9.470 10.128 1.00 0.00 C ATOM 610 CG MET A 40 9.373 10.906 10.254 1.00 0.00 C ATOM 611 SD MET A 40 9.749 11.633 8.646 1.00 0.00 S ATOM 612 CE MET A 40 10.658 13.109 9.101 1.00 0.00 C ATOM 0 H MET A 40 6.586 10.498 10.500 1.00 0.00 H new ATOM 0 HA MET A 40 8.002 9.702 8.173 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.527 9.124 11.111 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.664 8.821 9.811 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.631 11.520 10.765 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.271 10.910 10.872 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.949 13.649 8.200 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.028 13.748 9.720 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.551 12.829 9.660 1.00 0.00 H new ATOM 622 N ALA A 41 6.225 7.394 9.629 1.00 0.00 N ATOM 623 CA ALA A 41 5.691 6.033 9.490 1.00 0.00 C ATOM 624 C ALA A 41 5.115 5.766 8.082 1.00 0.00 C ATOM 625 O ALA A 41 5.268 4.646 7.567 1.00 0.00 O ATOM 626 CB ALA A 41 4.652 5.763 10.568 1.00 0.00 C ATOM 0 H ALA A 41 5.704 7.975 10.287 1.00 0.00 H new ATOM 0 HA ALA A 41 6.523 5.341 9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.264 4.751 10.454 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.112 5.867 11.551 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.835 6.478 10.473 1.00 0.00 H new ATOM 632 N VAL A 42 4.459 6.789 7.446 1.00 0.00 N ATOM 633 CA VAL A 42 3.969 6.641 6.050 1.00 0.00 C ATOM 634 C VAL A 42 5.161 6.524 5.098 1.00 0.00 C ATOM 635 O VAL A 42 5.110 5.769 4.132 1.00 0.00 O ATOM 636 CB VAL A 42 2.984 7.776 5.527 1.00 0.00 C ATOM 637 CG1 VAL A 42 1.776 7.961 6.467 1.00 0.00 C ATOM 638 CG2 VAL A 42 3.690 9.131 5.241 1.00 0.00 C ATOM 0 H VAL A 42 4.266 7.696 7.870 1.00 0.00 H new ATOM 0 HA VAL A 42 3.366 5.733 6.065 1.00 0.00 H new ATOM 0 HB VAL A 42 2.615 7.421 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.127 8.744 6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.219 7.027 6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.127 8.243 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.957 9.856 4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.154 9.500 6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.455 8.989 4.478 1.00 0.00 H new ATOM 648 N VAL A 43 6.249 7.256 5.408 1.00 0.00 N ATOM 649 CA VAL A 43 7.486 7.216 4.583 1.00 0.00 C ATOM 650 C VAL A 43 8.131 5.814 4.634 1.00 0.00 C ATOM 651 O VAL A 43 8.590 5.273 3.614 1.00 0.00 O ATOM 652 CB VAL A 43 8.529 8.286 5.045 1.00 0.00 C ATOM 653 CG1 VAL A 43 9.657 8.474 4.002 1.00 0.00 C ATOM 654 CG2 VAL A 43 7.825 9.610 5.369 1.00 0.00 C ATOM 0 H VAL A 43 6.303 7.878 6.214 1.00 0.00 H new ATOM 0 HA VAL A 43 7.193 7.445 3.558 1.00 0.00 H new ATOM 0 HB VAL A 43 9.006 7.925 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.361 9.225 4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.178 7.528 3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.227 8.801 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.563 10.346 5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.310 9.975 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.101 9.451 6.168 1.00 0.00 H new ATOM 664 N ASN A 44 8.129 5.246 5.849 1.00 0.00 N ATOM 665 CA ASN A 44 8.671 3.909 6.128 1.00 0.00 C ATOM 666 C ASN A 44 7.925 2.809 5.353 1.00 0.00 C ATOM 667 O ASN A 44 8.563 1.941 4.751 1.00 0.00 O ATOM 668 CB ASN A 44 8.651 3.614 7.656 1.00 0.00 C ATOM 669 CG ASN A 44 9.928 4.035 8.384 1.00 0.00 C ATOM 670 OD1 ASN A 44 10.931 3.330 8.341 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.888 5.146 9.094 1.00 0.00 N ATOM 0 H ASN A 44 7.747 5.708 6.674 1.00 0.00 H new ATOM 0 HA ASN A 44 9.705 3.903 5.784 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.802 4.129 8.105 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.493 2.546 7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.706 5.440 9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.039 5.711 9.110 1.00 0.00 H new ATOM 678 N VAL A 45 6.579 2.844 5.373 1.00 0.00 N ATOM 679 CA VAL A 45 5.759 1.834 4.667 1.00 0.00 C ATOM 680 C VAL A 45 5.852 1.994 3.137 1.00 0.00 C ATOM 681 O VAL A 45 5.738 1.003 2.424 1.00 0.00 O ATOM 682 CB VAL A 45 4.257 1.811 5.132 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.142 1.321 6.593 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.576 3.177 4.952 1.00 0.00 C ATOM 0 H VAL A 45 6.037 3.554 5.866 1.00 0.00 H new ATOM 0 HA VAL A 45 6.185 0.869 4.942 1.00 0.00 H new ATOM 0 HB VAL A 45 3.730 1.105 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.094 1.313 6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.549 0.313 6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.701 1.990 7.246 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.540 3.114 5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.103 3.927 5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.601 3.460 3.900 1.00 0.00 H new ATOM 694 N ILE A 46 6.086 3.238 2.653 1.00 0.00 N ATOM 695 CA ILE A 46 6.365 3.498 1.217 1.00 0.00 C ATOM 696 C ILE A 46 7.618 2.707 0.789 1.00 0.00 C ATOM 697 O ILE A 46 7.558 1.867 -0.120 1.00 0.00 O ATOM 698 CB ILE A 46 6.563 5.048 0.923 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.210 5.811 1.077 1.00 0.00 C ATOM 700 CG2 ILE A 46 7.200 5.318 -0.474 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.316 7.332 1.060 1.00 0.00 C ATOM 0 H ILE A 46 6.087 4.076 3.234 1.00 0.00 H new ATOM 0 HA ILE A 46 5.503 3.168 0.637 1.00 0.00 H new ATOM 0 HB ILE A 46 7.268 5.426 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.543 5.500 0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.744 5.506 2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.312 6.392 -0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.179 4.841 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.555 4.910 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.323 7.767 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.953 7.662 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.748 7.656 0.113 1.00 0.00 H new ATOM 713 N THR A 47 8.717 2.951 1.533 1.00 0.00 N ATOM 714 CA THR A 47 10.033 2.330 1.300 1.00 0.00 C ATOM 715 C THR A 47 9.934 0.790 1.358 1.00 0.00 C ATOM 716 O THR A 47 10.484 0.083 0.516 1.00 0.00 O ATOM 717 CB THR A 47 11.063 2.845 2.360 1.00 0.00 C ATOM 718 OG1 THR A 47 11.096 4.279 2.318 1.00 0.00 O ATOM 719 CG2 THR A 47 12.489 2.295 2.139 1.00 0.00 C ATOM 0 H THR A 47 8.712 3.595 2.324 1.00 0.00 H new ATOM 0 HA THR A 47 10.374 2.612 0.304 1.00 0.00 H new ATOM 0 HB THR A 47 10.732 2.485 3.334 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.317 4.638 2.791 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.154 2.690 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.472 1.207 2.198 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.848 2.600 1.156 1.00 0.00 H new ATOM 727 N ALA A 48 9.173 0.307 2.347 1.00 0.00 N ATOM 728 CA ALA A 48 8.949 -1.126 2.577 1.00 0.00 C ATOM 729 C ALA A 48 8.167 -1.781 1.418 1.00 0.00 C ATOM 730 O ALA A 48 8.478 -2.905 1.031 1.00 0.00 O ATOM 731 CB ALA A 48 8.232 -1.320 3.907 1.00 0.00 C ATOM 0 H ALA A 48 8.690 0.906 3.017 1.00 0.00 H new ATOM 0 HA ALA A 48 9.918 -1.624 2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.065 -2.383 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.844 -0.914 4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.273 -0.802 3.883 1.00 0.00 H new ATOM 737 N LEU A 49 7.165 -1.061 0.857 1.00 0.00 N ATOM 738 CA LEU A 49 6.418 -1.518 -0.346 1.00 0.00 C ATOM 739 C LEU A 49 7.408 -1.770 -1.507 1.00 0.00 C ATOM 740 O LEU A 49 7.388 -2.856 -2.131 1.00 0.00 O ATOM 741 CB LEU A 49 5.296 -0.489 -0.763 1.00 0.00 C ATOM 742 CG LEU A 49 3.815 -0.834 -0.363 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.351 -2.140 -1.036 1.00 0.00 C ATOM 744 CD2 LEU A 49 3.623 -0.897 1.166 1.00 0.00 C ATOM 0 H LEU A 49 6.853 -0.159 1.218 1.00 0.00 H new ATOM 0 HA LEU A 49 5.912 -2.452 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.546 0.478 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.334 -0.370 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 49 3.188 -0.021 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.324 -2.355 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.403 -2.030 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.997 -2.960 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.584 -1.138 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.273 -1.666 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.875 0.069 1.604 1.00 0.00 H new ATOM 756 N GLU A 50 8.302 -0.769 -1.731 1.00 0.00 N ATOM 757 CA GLU A 50 9.376 -0.832 -2.753 1.00 0.00 C ATOM 758 C GLU A 50 10.206 -2.127 -2.593 1.00 0.00 C ATOM 759 O GLU A 50 10.384 -2.889 -3.547 1.00 0.00 O ATOM 760 CB GLU A 50 10.344 0.398 -2.646 1.00 0.00 C ATOM 761 CG GLU A 50 9.688 1.781 -2.455 1.00 0.00 C ATOM 762 CD GLU A 50 8.838 2.261 -3.638 1.00 0.00 C ATOM 763 OE1 GLU A 50 7.685 1.801 -3.786 1.00 0.00 O ATOM 764 OE2 GLU A 50 9.315 3.123 -4.418 1.00 0.00 O ATOM 0 H GLU A 50 8.296 0.105 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 50 8.889 -0.820 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.023 0.225 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.952 0.432 -3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.060 1.749 -1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.471 2.516 -2.267 1.00 0.00 H new ATOM 771 N GLU A 51 10.662 -2.365 -1.348 1.00 0.00 N ATOM 772 CA GLU A 51 11.565 -3.480 -0.999 1.00 0.00 C ATOM 773 C GLU A 51 10.921 -4.862 -1.235 1.00 0.00 C ATOM 774 O GLU A 51 11.436 -5.670 -2.020 1.00 0.00 O ATOM 775 CB GLU A 51 12.018 -3.353 0.487 1.00 0.00 C ATOM 776 CG GLU A 51 12.829 -2.084 0.816 1.00 0.00 C ATOM 777 CD GLU A 51 14.055 -1.894 -0.089 1.00 0.00 C ATOM 778 OE1 GLU A 51 14.950 -2.764 -0.082 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.135 -0.878 -0.816 1.00 0.00 O ATOM 0 H GLU A 51 10.412 -1.783 -0.548 1.00 0.00 H new ATOM 0 HA GLU A 51 12.429 -3.411 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.134 -3.376 1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.618 -4.226 0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.180 -1.213 0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.157 -2.130 1.855 1.00 0.00 H new ATOM 786 N TYR A 52 9.780 -5.103 -0.573 1.00 0.00 N ATOM 787 CA TYR A 52 9.144 -6.434 -0.515 1.00 0.00 C ATOM 788 C TYR A 52 8.556 -6.877 -1.866 1.00 0.00 C ATOM 789 O TYR A 52 8.585 -8.074 -2.184 1.00 0.00 O ATOM 790 CB TYR A 52 8.075 -6.478 0.605 1.00 0.00 C ATOM 791 CG TYR A 52 8.678 -6.448 2.021 1.00 0.00 C ATOM 792 CD1 TYR A 52 9.330 -7.569 2.540 1.00 0.00 C ATOM 793 CD2 TYR A 52 8.607 -5.314 2.832 1.00 0.00 C ATOM 794 CE1 TYR A 52 9.888 -7.551 3.801 1.00 0.00 C ATOM 795 CE2 TYR A 52 9.162 -5.294 4.091 1.00 0.00 C ATOM 796 CZ TYR A 52 9.799 -6.413 4.573 1.00 0.00 C ATOM 797 OH TYR A 52 10.353 -6.395 5.830 1.00 0.00 O ATOM 0 H TYR A 52 9.270 -4.383 -0.062 1.00 0.00 H new ATOM 0 HA TYR A 52 9.930 -7.151 -0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.399 -5.631 0.487 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.476 -7.382 0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.398 -8.466 1.943 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.105 -4.432 2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.393 -8.426 4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.097 -4.403 4.698 1.00 0.00 H new ATOM 0 HH TYR A 52 9.936 -5.685 6.361 1.00 0.00 H new ATOM 807 N PHE A 53 8.009 -5.926 -2.651 1.00 0.00 N ATOM 808 CA PHE A 53 7.487 -6.232 -4.006 1.00 0.00 C ATOM 809 C PHE A 53 8.574 -6.075 -5.100 1.00 0.00 C ATOM 810 O PHE A 53 8.353 -6.508 -6.245 1.00 0.00 O ATOM 811 CB PHE A 53 6.269 -5.350 -4.348 1.00 0.00 C ATOM 812 CG PHE A 53 4.967 -5.682 -3.625 1.00 0.00 C ATOM 813 CD1 PHE A 53 4.798 -5.400 -2.271 1.00 0.00 C ATOM 814 CD2 PHE A 53 3.900 -6.259 -4.310 1.00 0.00 C ATOM 815 CE1 PHE A 53 3.602 -5.684 -1.634 1.00 0.00 C ATOM 816 CE2 PHE A 53 2.716 -6.534 -3.674 1.00 0.00 C ATOM 817 CZ PHE A 53 2.564 -6.249 -2.338 1.00 0.00 C ATOM 0 H PHE A 53 7.916 -4.948 -2.377 1.00 0.00 H new ATOM 0 HA PHE A 53 7.175 -7.276 -3.989 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.526 -4.313 -4.130 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.090 -5.416 -5.421 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.608 -4.955 -1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.007 -6.494 -5.359 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.484 -5.462 -0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.900 -6.976 -4.226 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.630 -6.468 -1.841 1.00 0.00 H new ATOM 827 N ASP A 54 9.711 -5.431 -4.746 1.00 0.00 N ATOM 828 CA ASP A 54 10.885 -5.258 -5.643 1.00 0.00 C ATOM 829 C ASP A 54 10.532 -4.390 -6.870 1.00 0.00 C ATOM 830 O ASP A 54 10.837 -4.736 -8.018 1.00 0.00 O ATOM 831 CB ASP A 54 11.505 -6.633 -6.047 1.00 0.00 C ATOM 832 CG ASP A 54 12.203 -7.348 -4.875 1.00 0.00 C ATOM 833 OD1 ASP A 54 11.514 -8.004 -4.064 1.00 0.00 O ATOM 834 OD2 ASP A 54 13.449 -7.261 -4.765 1.00 0.00 O ATOM 0 H ASP A 54 9.843 -5.013 -3.825 1.00 0.00 H new ATOM 0 HA ASP A 54 11.653 -4.721 -5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.719 -7.277 -6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.225 -6.478 -6.851 1.00 0.00 H new ATOM 839 N PHE A 55 9.903 -3.242 -6.593 1.00 0.00 N ATOM 840 CA PHE A 55 9.502 -2.257 -7.619 1.00 0.00 C ATOM 841 C PHE A 55 9.680 -0.838 -7.051 1.00 0.00 C ATOM 842 O PHE A 55 10.289 -0.660 -5.985 1.00 0.00 O ATOM 843 CB PHE A 55 8.025 -2.505 -8.079 1.00 0.00 C ATOM 844 CG PHE A 55 6.937 -2.021 -7.102 1.00 0.00 C ATOM 845 CD1 PHE A 55 6.958 -2.389 -5.761 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.894 -1.202 -7.530 1.00 0.00 C ATOM 847 CE1 PHE A 55 5.980 -1.962 -4.886 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.923 -0.784 -6.650 1.00 0.00 C ATOM 849 CZ PHE A 55 4.964 -1.166 -5.331 1.00 0.00 C ATOM 0 H PHE A 55 9.653 -2.963 -5.644 1.00 0.00 H new ATOM 0 HA PHE A 55 10.137 -2.368 -8.498 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.874 -2.010 -9.038 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.889 -3.573 -8.246 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.755 -3.021 -5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.848 -0.892 -8.564 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.018 -2.258 -3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.121 -0.150 -6.999 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.195 -0.838 -4.648 1.00 0.00 H new ATOM 859 N SER A 56 9.160 0.164 -7.768 1.00 0.00 N ATOM 860 CA SER A 56 9.110 1.541 -7.288 1.00 0.00 C ATOM 861 C SER A 56 7.754 2.187 -7.630 1.00 0.00 C ATOM 862 O SER A 56 7.269 2.078 -8.764 1.00 0.00 O ATOM 863 CB SER A 56 10.278 2.355 -7.887 1.00 0.00 C ATOM 864 OG SER A 56 10.311 3.677 -7.373 1.00 0.00 O ATOM 0 H SER A 56 8.762 0.038 -8.699 1.00 0.00 H new ATOM 0 HA SER A 56 9.214 1.538 -6.203 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.221 1.855 -7.667 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.180 2.388 -8.972 1.00 0.00 H new ATOM 0 HG SER A 56 10.019 3.672 -6.438 1.00 0.00 H new ATOM 870 N VAL A 57 7.136 2.822 -6.621 1.00 0.00 N ATOM 871 CA VAL A 57 5.976 3.703 -6.799 1.00 0.00 C ATOM 872 C VAL A 57 6.514 5.128 -7.004 1.00 0.00 C ATOM 873 O VAL A 57 7.363 5.589 -6.227 1.00 0.00 O ATOM 874 CB VAL A 57 5.008 3.674 -5.547 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.749 4.532 -5.773 1.00 0.00 C ATOM 876 CG2 VAL A 57 4.603 2.238 -5.179 1.00 0.00 C ATOM 0 H VAL A 57 7.433 2.736 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 57 5.394 3.364 -7.656 1.00 0.00 H new ATOM 0 HB VAL A 57 5.567 4.102 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.112 4.484 -4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.041 5.566 -5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.201 4.154 -6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.938 2.257 -4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.088 1.778 -6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.494 1.659 -4.938 1.00 0.00 H new ATOM 886 N ASP A 58 6.042 5.811 -8.051 1.00 0.00 N ATOM 887 CA ASP A 58 6.478 7.190 -8.355 1.00 0.00 C ATOM 888 C ASP A 58 5.827 8.183 -7.364 1.00 0.00 C ATOM 889 O ASP A 58 4.712 7.952 -6.912 1.00 0.00 O ATOM 890 CB ASP A 58 6.125 7.548 -9.816 1.00 0.00 C ATOM 891 CG ASP A 58 6.669 8.915 -10.242 1.00 0.00 C ATOM 892 OD1 ASP A 58 7.906 9.067 -10.332 1.00 0.00 O ATOM 893 OD2 ASP A 58 5.875 9.843 -10.458 1.00 0.00 O ATOM 0 H ASP A 58 5.357 5.437 -8.707 1.00 0.00 H new ATOM 0 HA ASP A 58 7.560 7.258 -8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.524 6.781 -10.479 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.042 7.540 -9.935 1.00 0.00 H new ATOM 898 N ASP A 59 6.519 9.284 -7.035 1.00 0.00 N ATOM 899 CA ASP A 59 6.050 10.246 -6.006 1.00 0.00 C ATOM 900 C ASP A 59 4.746 10.969 -6.444 1.00 0.00 C ATOM 901 O ASP A 59 3.909 11.330 -5.601 1.00 0.00 O ATOM 902 CB ASP A 59 7.174 11.260 -5.688 1.00 0.00 C ATOM 903 CG ASP A 59 6.817 12.217 -4.537 1.00 0.00 C ATOM 904 OD1 ASP A 59 6.969 11.825 -3.360 1.00 0.00 O ATOM 905 OD2 ASP A 59 6.357 13.356 -4.801 1.00 0.00 O ATOM 0 H ASP A 59 7.409 9.538 -7.464 1.00 0.00 H new ATOM 0 HA ASP A 59 5.810 9.689 -5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.083 10.716 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.393 11.843 -6.583 1.00 0.00 H new ATOM 910 N ASP A 60 4.565 11.117 -7.774 1.00 0.00 N ATOM 911 CA ASP A 60 3.387 11.785 -8.374 1.00 0.00 C ATOM 912 C ASP A 60 2.111 10.931 -8.194 1.00 0.00 C ATOM 913 O ASP A 60 1.012 11.478 -8.086 1.00 0.00 O ATOM 914 CB ASP A 60 3.648 12.090 -9.880 1.00 0.00 C ATOM 915 CG ASP A 60 2.454 12.748 -10.603 1.00 0.00 C ATOM 916 OD1 ASP A 60 2.256 13.967 -10.448 1.00 0.00 O ATOM 917 OD2 ASP A 60 1.699 12.046 -11.317 1.00 0.00 O ATOM 0 H ASP A 60 5.233 10.776 -8.465 1.00 0.00 H new ATOM 0 HA ASP A 60 3.226 12.729 -7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.515 12.745 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.901 11.160 -10.390 1.00 0.00 H new ATOM 922 N GLU A 61 2.271 9.594 -8.131 1.00 0.00 N ATOM 923 CA GLU A 61 1.126 8.655 -7.975 1.00 0.00 C ATOM 924 C GLU A 61 0.895 8.309 -6.485 1.00 0.00 C ATOM 925 O GLU A 61 -0.151 7.746 -6.134 1.00 0.00 O ATOM 926 CB GLU A 61 1.324 7.368 -8.828 1.00 0.00 C ATOM 927 CG GLU A 61 2.517 6.512 -8.407 1.00 0.00 C ATOM 928 CD GLU A 61 2.712 5.233 -9.230 1.00 0.00 C ATOM 929 OE1 GLU A 61 1.968 4.255 -9.007 1.00 0.00 O ATOM 930 OE2 GLU A 61 3.617 5.194 -10.093 1.00 0.00 O ATOM 0 H GLU A 61 3.180 9.133 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 61 0.233 9.157 -8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.419 6.764 -8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.448 7.654 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.422 7.115 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.398 6.238 -7.359 1.00 0.00 H new ATOM 937 N ILE A 62 1.877 8.644 -5.613 1.00 0.00 N ATOM 938 CA ILE A 62 1.716 8.515 -4.149 1.00 0.00 C ATOM 939 C ILE A 62 0.826 9.657 -3.624 1.00 0.00 C ATOM 940 O ILE A 62 1.241 10.820 -3.606 1.00 0.00 O ATOM 941 CB ILE A 62 3.091 8.533 -3.369 1.00 0.00 C ATOM 942 CG1 ILE A 62 4.021 7.388 -3.850 1.00 0.00 C ATOM 943 CG2 ILE A 62 2.865 8.421 -1.840 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.375 7.324 -3.170 1.00 0.00 C ATOM 0 H ILE A 62 2.787 9.005 -5.900 1.00 0.00 H new ATOM 0 HA ILE A 62 1.253 7.545 -3.969 1.00 0.00 H new ATOM 0 HB ILE A 62 3.574 9.487 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.510 6.438 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.177 7.495 -4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.827 8.436 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.260 9.261 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.349 7.487 -1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.947 6.490 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.915 8.255 -3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.237 7.181 -2.098 1.00 0.00 H new ATOM 956 N SER A 63 -0.405 9.318 -3.241 1.00 0.00 N ATOM 957 CA SER A 63 -1.343 10.239 -2.594 1.00 0.00 C ATOM 958 C SER A 63 -1.642 9.753 -1.164 1.00 0.00 C ATOM 959 O SER A 63 -1.305 8.619 -0.792 1.00 0.00 O ATOM 960 CB SER A 63 -2.650 10.311 -3.429 1.00 0.00 C ATOM 961 OG SER A 63 -3.594 11.218 -2.875 1.00 0.00 O ATOM 0 H SER A 63 -0.786 8.381 -3.373 1.00 0.00 H new ATOM 0 HA SER A 63 -0.904 11.235 -2.538 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.411 10.616 -4.448 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.095 9.318 -3.489 1.00 0.00 H new ATOM 0 HG SER A 63 -4.400 11.233 -3.433 1.00 0.00 H new ATOM 967 N ALA A 64 -2.270 10.624 -0.363 1.00 0.00 N ATOM 968 CA ALA A 64 -2.907 10.221 0.906 1.00 0.00 C ATOM 969 C ALA A 64 -4.089 9.277 0.600 1.00 0.00 C ATOM 970 O ALA A 64 -4.376 8.341 1.348 1.00 0.00 O ATOM 971 CB ALA A 64 -3.381 11.455 1.690 1.00 0.00 C ATOM 0 H ALA A 64 -2.353 11.619 -0.570 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.180 9.696 1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.848 11.137 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.527 12.095 1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.105 12.010 1.093 1.00 0.00 H new ATOM 977 N GLN A 65 -4.718 9.522 -0.569 1.00 0.00 N ATOM 978 CA GLN A 65 -5.831 8.716 -1.097 1.00 0.00 C ATOM 979 C GLN A 65 -5.347 7.329 -1.575 1.00 0.00 C ATOM 980 O GLN A 65 -6.161 6.459 -1.885 1.00 0.00 O ATOM 981 CB GLN A 65 -6.547 9.472 -2.253 1.00 0.00 C ATOM 982 CG GLN A 65 -7.000 10.908 -1.912 1.00 0.00 C ATOM 983 CD GLN A 65 -7.890 10.989 -0.666 1.00 0.00 C ATOM 984 OE1 GLN A 65 -9.114 10.870 -0.746 1.00 0.00 O ATOM 985 NE2 GLN A 65 -7.278 11.197 0.493 1.00 0.00 N ATOM 0 H GLN A 65 -4.460 10.298 -1.179 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.543 8.558 -0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.876 9.513 -3.111 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.420 8.895 -2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.119 11.532 -1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.541 11.321 -2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.263 11.291 0.524 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.823 11.263 1.353 1.00 0.00 H new ATOM 994 N THR A 66 -4.019 7.140 -1.663 1.00 0.00 N ATOM 995 CA THR A 66 -3.418 5.828 -1.916 1.00 0.00 C ATOM 996 C THR A 66 -3.401 5.018 -0.601 1.00 0.00 C ATOM 997 O THR A 66 -3.720 3.834 -0.598 1.00 0.00 O ATOM 998 CB THR A 66 -1.962 5.978 -2.484 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.989 6.823 -3.645 1.00 0.00 O ATOM 1000 CG2 THR A 66 -1.310 4.626 -2.845 1.00 0.00 C ATOM 0 H THR A 66 -3.338 7.892 -1.561 1.00 0.00 H new ATOM 0 HA THR A 66 -4.013 5.302 -2.662 1.00 0.00 H new ATOM 0 HB THR A 66 -1.355 6.422 -1.695 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.394 6.337 -4.394 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.306 4.798 -3.232 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.254 4.000 -1.955 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.910 4.124 -3.604 1.00 0.00 H new ATOM 1008 N PHE A 67 -3.062 5.698 0.521 1.00 0.00 N ATOM 1009 CA PHE A 67 -2.875 5.056 1.852 1.00 0.00 C ATOM 1010 C PHE A 67 -4.108 5.195 2.768 1.00 0.00 C ATOM 1011 O PHE A 67 -4.027 4.901 3.971 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.608 5.630 2.546 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.293 5.166 1.913 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.143 5.678 0.689 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.489 4.186 2.531 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.327 5.245 0.117 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.671 3.754 1.955 1.00 0.00 C ATOM 1018 CZ PHE A 67 2.084 4.275 0.747 1.00 0.00 C ATOM 0 H PHE A 67 -2.910 6.707 0.532 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.743 3.988 1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.651 6.719 2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.617 5.339 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.452 6.423 0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.167 3.761 3.470 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.659 5.665 -0.821 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.271 3.007 2.453 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.999 3.925 0.293 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.238 5.630 2.195 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.513 5.783 2.928 1.00 0.00 C ATOM 1030 C GLU A 68 -7.010 4.435 3.501 1.00 0.00 C ATOM 1031 O GLU A 68 -7.427 4.365 4.654 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.590 6.421 2.007 1.00 0.00 C ATOM 1033 CG GLU A 68 -7.828 5.661 0.690 1.00 0.00 C ATOM 1034 CD GLU A 68 -8.988 6.200 -0.165 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -9.023 7.417 -0.449 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -9.878 5.406 -0.556 1.00 0.00 O ATOM 0 H GLU A 68 -5.300 5.887 1.210 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.334 6.448 3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.531 6.479 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.293 7.443 1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.913 5.693 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.022 4.614 0.921 1.00 0.00 H new ATOM 1043 N THR A 69 -6.947 3.375 2.684 1.00 0.00 N ATOM 1044 CA THR A 69 -7.394 2.023 3.064 1.00 0.00 C ATOM 1045 C THR A 69 -6.537 0.960 2.354 1.00 0.00 C ATOM 1046 O THR A 69 -5.922 1.243 1.310 1.00 0.00 O ATOM 1047 CB THR A 69 -8.916 1.829 2.722 1.00 0.00 C ATOM 1048 OG1 THR A 69 -9.362 0.509 3.073 1.00 0.00 O ATOM 1049 CG2 THR A 69 -9.216 2.078 1.237 1.00 0.00 C ATOM 0 H THR A 69 -6.582 3.429 1.733 1.00 0.00 H new ATOM 0 HA THR A 69 -7.270 1.904 4.140 1.00 0.00 H new ATOM 0 HB THR A 69 -9.456 2.569 3.313 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.936 0.232 3.911 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.280 1.932 1.051 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.939 3.100 0.976 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.642 1.380 0.628 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.522 -0.270 2.925 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.728 -1.404 2.404 1.00 0.00 C ATOM 1059 C LEU A 70 -6.092 -1.721 0.939 1.00 0.00 C ATOM 1060 O LEU A 70 -5.221 -2.092 0.135 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.942 -2.671 3.282 1.00 0.00 C ATOM 1062 CG LEU A 70 -5.076 -3.912 2.889 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.580 -3.632 3.117 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.530 -5.195 3.621 1.00 0.00 C ATOM 0 H LEU A 70 -7.061 -0.501 3.760 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.678 -1.112 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.729 -2.414 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.994 -2.953 3.233 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.228 -4.089 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.999 -4.510 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.272 -2.783 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.409 -3.405 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.899 -6.030 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.444 -5.049 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.567 -5.412 3.366 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.394 -1.560 0.623 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.920 -1.789 -0.721 1.00 0.00 C ATOM 1078 C GLY A 71 -7.253 -0.905 -1.766 1.00 0.00 C ATOM 1079 O GLY A 71 -6.900 -1.379 -2.847 1.00 0.00 O ATOM 0 H GLY A 71 -8.101 -1.268 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.777 -2.836 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.994 -1.603 -0.724 1.00 0.00 H new ATOM 1083 N SER A 72 -7.043 0.376 -1.413 1.00 0.00 N ATOM 1084 CA SER A 72 -6.418 1.369 -2.305 1.00 0.00 C ATOM 1085 C SER A 72 -4.959 0.992 -2.634 1.00 0.00 C ATOM 1086 O SER A 72 -4.575 0.997 -3.811 1.00 0.00 O ATOM 1087 CB SER A 72 -6.500 2.775 -1.682 1.00 0.00 C ATOM 1088 OG SER A 72 -7.847 3.142 -1.452 1.00 0.00 O ATOM 0 H SER A 72 -7.302 0.752 -0.501 1.00 0.00 H new ATOM 0 HA SER A 72 -6.971 1.375 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.947 2.795 -0.743 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.028 3.500 -2.345 1.00 0.00 H new ATOM 0 HG SER A 72 -7.938 4.115 -1.523 1.00 0.00 H new ATOM 1094 N LEU A 73 -4.161 0.628 -1.594 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.758 0.174 -1.790 1.00 0.00 C ATOM 1096 C LEU A 73 -2.719 -1.032 -2.723 1.00 0.00 C ATOM 1097 O LEU A 73 -1.890 -1.093 -3.636 1.00 0.00 O ATOM 1098 CB LEU A 73 -2.061 -0.243 -0.462 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.620 0.884 0.508 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.761 1.942 -0.209 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.822 1.496 1.226 1.00 0.00 C ATOM 0 H LEU A 73 -4.463 0.640 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.226 1.027 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.738 -0.904 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.179 -0.830 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.986 0.438 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.470 2.716 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.132 1.470 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.337 2.390 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.482 2.283 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.508 1.918 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.335 0.724 1.800 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.640 -1.973 -2.459 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.760 -3.214 -3.207 1.00 0.00 C ATOM 1115 C ALA A 74 -4.004 -2.935 -4.692 1.00 0.00 C ATOM 1116 O ALA A 74 -3.330 -3.521 -5.516 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.854 -4.099 -2.614 1.00 0.00 C ATOM 0 H ALA A 74 -4.326 -1.883 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.818 -3.756 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.927 -5.022 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.610 -4.335 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.808 -3.573 -2.651 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.918 -1.982 -5.000 1.00 0.00 N ATOM 1124 CA LEU A 75 -5.228 -1.569 -6.396 1.00 0.00 C ATOM 1125 C LEU A 75 -3.959 -1.048 -7.104 1.00 0.00 C ATOM 1126 O LEU A 75 -3.617 -1.509 -8.207 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.367 -0.479 -6.449 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.823 -0.982 -6.733 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.891 -1.809 -8.037 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.405 -1.759 -5.541 1.00 0.00 C ATOM 0 H LEU A 75 -5.459 -1.480 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.591 -2.453 -6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.372 0.052 -5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.104 0.248 -7.218 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.446 -0.098 -6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.915 -2.142 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.569 -1.192 -8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.237 -2.677 -7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.416 -2.089 -5.781 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.779 -2.627 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.433 -1.112 -4.664 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.256 -0.102 -6.444 1.00 0.00 N ATOM 1143 CA PHE A 76 -2.029 0.513 -6.990 1.00 0.00 C ATOM 1144 C PHE A 76 -0.980 -0.558 -7.334 1.00 0.00 C ATOM 1145 O PHE A 76 -0.563 -0.665 -8.488 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.451 1.577 -6.008 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.116 2.954 -6.137 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -3.406 3.183 -5.660 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -1.452 4.013 -6.759 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -4.005 4.423 -5.792 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -2.055 5.248 -6.892 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.330 5.453 -6.409 1.00 0.00 C ATOM 0 H PHE A 76 -3.521 0.254 -5.525 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.294 1.026 -7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.570 1.219 -4.985 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.381 1.681 -6.186 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.946 2.380 -5.180 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.453 3.864 -7.141 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.003 4.584 -5.411 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.526 6.056 -7.376 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.799 6.420 -6.514 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.632 -1.390 -6.342 1.00 0.00 N ATOM 1163 CA VAL A 77 0.391 -2.440 -6.495 1.00 0.00 C ATOM 1164 C VAL A 77 -0.072 -3.556 -7.462 1.00 0.00 C ATOM 1165 O VAL A 77 0.775 -4.240 -8.045 1.00 0.00 O ATOM 1166 CB VAL A 77 0.866 -3.024 -5.114 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.438 -1.902 -4.214 1.00 0.00 C ATOM 1168 CG2 VAL A 77 -0.256 -3.788 -4.397 1.00 0.00 C ATOM 0 H VAL A 77 -1.049 -1.356 -5.412 1.00 0.00 H new ATOM 0 HA VAL A 77 1.261 -1.962 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 77 1.661 -3.741 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.761 -2.327 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.289 -1.435 -4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.668 -1.152 -4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.116 -4.174 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.094 -3.115 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.588 -4.618 -5.021 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.412 -3.755 -7.627 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.943 -4.643 -8.690 1.00 0.00 C ATOM 1180 C GLU A 78 -1.419 -4.159 -10.042 1.00 0.00 C ATOM 1181 O GLU A 78 -0.712 -4.891 -10.726 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.506 -4.697 -8.767 1.00 0.00 C ATOM 1183 CG GLU A 78 -4.224 -5.468 -7.648 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.702 -6.889 -7.400 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -3.521 -7.655 -8.368 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.486 -7.250 -6.232 1.00 0.00 O ATOM 0 H GLU A 78 -2.128 -3.319 -7.046 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.603 -5.649 -8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.882 -3.674 -8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.785 -5.143 -9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.138 -4.899 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.285 -5.524 -7.890 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.706 -2.876 -10.351 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.376 -2.273 -11.654 1.00 0.00 C ATOM 1195 C HIS A 79 0.139 -2.315 -11.922 1.00 0.00 C ATOM 1196 O HIS A 79 0.571 -2.758 -12.993 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.917 -0.818 -11.737 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.409 -0.714 -11.943 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -3.970 -0.209 -13.096 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.453 -1.032 -11.139 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.280 -0.222 -12.992 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.602 -0.715 -11.814 1.00 0.00 N ATOM 0 H HIS A 79 -2.170 -2.235 -9.707 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.863 -2.863 -12.430 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.653 -0.293 -10.819 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.414 -0.303 -12.555 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.390 -1.457 -10.148 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.976 0.115 -13.746 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.551 -0.840 -11.462 1.00 0.00 H new ATOM 1211 N LYS A 80 0.917 -1.924 -10.899 1.00 0.00 N ATOM 1212 CA LYS A 80 2.388 -1.821 -10.963 1.00 0.00 C ATOM 1213 C LYS A 80 3.045 -3.161 -11.343 1.00 0.00 C ATOM 1214 O LYS A 80 3.788 -3.251 -12.328 1.00 0.00 O ATOM 1215 CB LYS A 80 2.940 -1.339 -9.594 1.00 0.00 C ATOM 1216 CG LYS A 80 2.400 0.022 -9.110 1.00 0.00 C ATOM 1217 CD LYS A 80 2.741 1.175 -10.067 1.00 0.00 C ATOM 1218 CE LYS A 80 4.226 1.560 -10.033 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.539 2.599 -11.035 1.00 0.00 N ATOM 0 H LYS A 80 0.537 -1.666 -9.988 1.00 0.00 H new ATOM 0 HA LYS A 80 2.634 -1.099 -11.741 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.708 -2.092 -8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.026 -1.278 -9.660 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.318 -0.042 -8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.811 0.241 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.468 0.890 -11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.139 2.046 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.486 1.922 -9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.836 0.677 -10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.568 2.644 -11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.074 2.365 -11.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.196 3.521 -10.698 1.00 0.00 H new ATOM 1233 N LEU A 81 2.737 -4.197 -10.554 1.00 0.00 N ATOM 1234 CA LEU A 81 3.341 -5.536 -10.709 1.00 0.00 C ATOM 1235 C LEU A 81 2.700 -6.327 -11.878 1.00 0.00 C ATOM 1236 O LEU A 81 3.257 -7.344 -12.307 1.00 0.00 O ATOM 1237 CB LEU A 81 3.286 -6.340 -9.366 1.00 0.00 C ATOM 1238 CG LEU A 81 4.261 -5.883 -8.214 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.730 -5.809 -8.698 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.816 -4.557 -7.559 1.00 0.00 C ATOM 0 H LEU A 81 2.064 -4.136 -9.790 1.00 0.00 H new ATOM 0 HA LEU A 81 4.391 -5.393 -10.964 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.266 -6.292 -8.985 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.494 -7.386 -9.590 1.00 0.00 H new ATOM 0 HG LEU A 81 4.208 -6.651 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.369 -5.490 -7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.049 -6.792 -9.045 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.808 -5.092 -9.516 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.520 -4.286 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.792 -3.769 -8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.822 -4.679 -7.130 1.00 0.00 H new ATOM 1252 N SER A 82 1.542 -5.862 -12.398 1.00 0.00 N ATOM 1253 CA SER A 82 0.918 -6.451 -13.606 1.00 0.00 C ATOM 1254 C SER A 82 1.618 -5.970 -14.894 1.00 0.00 C ATOM 1255 O SER A 82 1.495 -6.618 -15.935 1.00 0.00 O ATOM 1256 CB SER A 82 -0.591 -6.128 -13.664 1.00 0.00 C ATOM 1257 OG SER A 82 -1.283 -6.747 -12.594 1.00 0.00 O ATOM 0 H SER A 82 1.020 -5.081 -12.001 1.00 0.00 H new ATOM 0 HA SER A 82 1.038 -7.532 -13.539 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.738 -5.049 -13.621 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.003 -6.468 -14.614 1.00 0.00 H new ATOM 0 HG SER A 82 -1.163 -6.218 -11.778 1.00 0.00 H new