USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 642 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 94 GLN : amide:sc= -0.197 X(o=-2.4,f=-2.4) USER MOD Set 1.2: A 95 ASN : amide:sc= -2.24! C(o=-2.4!,f=-8.1!) USER MOD Set 2.1: A 2 SER OG : rot -166:sc= -2.73! USER MOD Set 2.2: A 91 ASN :FLIP amide:sc=-0.000504 F(o=-4!,f=-2.7) USER MOD Set 3.1: A 54 ASN :FLIP amide:sc= 0.6 F(o=-1.4!,f=1.1) USER MOD Set 3.2: A 57 HIS :FLIP no HD1:sc= 0.488 F(o=-1.4,f=1.1) USER MOD Set 4.1: A 14 ASN : amide:sc= 1.24 K(o=3.4,f=0.76) USER MOD Set 4.2: A 18 THR OG1 : rot -97:sc= 2.14 USER MOD Single : A 3 TYR OH : rot -134:sc= -1.61 USER MOD Single : A 6 SER OG : rot 46:sc= 0.148 USER MOD Single : A 7 SER OG : rot -70:sc= -2.8! USER MOD Single : A 9 ASN : amide:sc= 1.15 K(o=1.2,f=-1.1) USER MOD Single : A 13 THR OG1 : rot 161:sc= -0.0277 USER MOD Single : A 23 CYS SG : rot -92:sc= -2.81! USER MOD Single : A 25 ASN : amide:sc= 0.322 K(o=0.32,f=-9.3!) USER MOD Single : A 29 ASN : amide:sc= 0.383 X(o=0.38,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 131:sc= 1.26 USER MOD Single : A 39 THR OG1 : rot -27:sc= 0.0931 USER MOD Single : A 40 CYS SG : rot -30:sc= -1.85! USER MOD Single : A 43 ASN :FLIP amide:sc= -7.52! C(o=-10!,f=-7.5!) USER MOD Single : A 45 ASN : amide:sc= -0.0137 K(o=-0.014,f=-1.1) USER MOD Single : A 52 MET CE :methyl -154:sc= -0.235 (180deg=-1.17) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 56 SER OG : rot 79:sc= 0.771 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -83:sc= 0.901 USER MOD Single : A 63 LYS NZ :NH3+ -171:sc=-0.00757 (180deg=-0.103) USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 1.25 (180deg=1.09) USER MOD Single : A 72 THR OG1 : rot 31:sc= 0.512 USER MOD Single : A 73 CYS SG : rot 180:sc= -1.24 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.356 F(o=-2.8!,f=-0.36) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 1.892 12.231 -0.922 1.00 0.00 N ATOM 17 CA SER A 2 2.325 10.952 -0.387 1.00 0.00 C ATOM 18 C SER A 2 3.848 10.849 -0.391 1.00 0.00 C ATOM 19 O SER A 2 4.535 11.726 -0.916 1.00 0.00 O ATOM 20 CB SER A 2 1.734 9.807 -1.204 1.00 0.00 C ATOM 21 OG SER A 2 0.363 10.023 -1.472 1.00 0.00 O ATOM 0 HA SER A 2 1.971 10.881 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.279 9.708 -2.143 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.858 8.869 -0.663 1.00 0.00 H new ATOM 0 HG SER A 2 -0.042 9.191 -1.796 1.00 0.00 H new ATOM 26 N TYR A 3 4.362 9.771 0.175 1.00 0.00 N ATOM 27 CA TYR A 3 5.802 9.538 0.252 1.00 0.00 C ATOM 28 C TYR A 3 6.450 9.479 -1.136 1.00 0.00 C ATOM 29 O TYR A 3 7.593 9.904 -1.313 1.00 0.00 O ATOM 30 CB TYR A 3 6.073 8.224 0.992 1.00 0.00 C ATOM 31 CG TYR A 3 5.738 6.983 0.186 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.432 6.712 -0.204 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.735 6.095 -0.198 1.00 0.00 C ATOM 34 CE1 TYR A 3 4.130 5.594 -0.951 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.441 4.973 -0.942 1.00 0.00 C ATOM 36 CZ TYR A 3 5.140 4.727 -1.318 1.00 0.00 C ATOM 37 OH TYR A 3 4.848 3.610 -2.064 1.00 0.00 O ATOM 0 H TYR A 3 3.798 9.032 0.595 1.00 0.00 H new ATOM 0 HA TYR A 3 6.241 10.376 0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.125 8.188 1.275 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.494 8.213 1.915 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.641 7.389 0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.758 6.287 0.091 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.110 5.397 -1.247 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.227 4.290 -1.229 1.00 0.00 H new ATOM 0 HH TYR A 3 5.304 2.832 -1.680 1.00 0.00 H new ATOM 46 N ALA A 4 5.703 8.965 -2.115 1.00 0.00 N ATOM 47 CA ALA A 4 6.192 8.804 -3.487 1.00 0.00 C ATOM 48 C ALA A 4 6.713 10.106 -4.086 1.00 0.00 C ATOM 49 O ALA A 4 7.453 10.083 -5.069 1.00 0.00 O ATOM 50 CB ALA A 4 5.102 8.215 -4.363 1.00 0.00 C ATOM 0 H ALA A 4 4.743 8.649 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 4 7.038 8.118 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.476 8.099 -5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.807 7.241 -3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.239 8.881 -4.367 1.00 0.00 H new ATOM 56 N ASP A 5 6.330 11.230 -3.496 1.00 0.00 N ATOM 57 CA ASP A 5 6.769 12.534 -3.976 1.00 0.00 C ATOM 58 C ASP A 5 8.294 12.640 -3.969 1.00 0.00 C ATOM 59 O ASP A 5 8.900 13.125 -4.925 1.00 0.00 O ATOM 60 CB ASP A 5 6.178 13.647 -3.107 1.00 0.00 C ATOM 61 CG ASP A 5 6.733 15.015 -3.457 1.00 0.00 C ATOM 62 OD1 ASP A 5 6.238 15.627 -4.426 1.00 0.00 O ATOM 63 OD2 ASP A 5 7.660 15.485 -2.761 1.00 0.00 O ATOM 0 H ASP A 5 5.715 11.265 -2.683 1.00 0.00 H new ATOM 0 HA ASP A 5 6.416 12.646 -5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.094 13.658 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.384 13.433 -2.058 1.00 0.00 H new ATOM 67 N SER A 6 8.913 12.152 -2.897 1.00 0.00 N ATOM 68 CA SER A 6 10.357 12.201 -2.762 1.00 0.00 C ATOM 69 C SER A 6 10.933 10.801 -2.555 1.00 0.00 C ATOM 70 O SER A 6 11.862 10.606 -1.770 1.00 0.00 O ATOM 71 CB SER A 6 10.743 13.109 -1.591 1.00 0.00 C ATOM 72 OG SER A 6 10.185 14.406 -1.732 1.00 0.00 O ATOM 0 H SER A 6 8.431 11.718 -2.110 1.00 0.00 H new ATOM 0 HA SER A 6 10.775 12.608 -3.683 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.401 12.664 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.829 13.184 -1.530 1.00 0.00 H new ATOM 0 HG SER A 6 9.240 14.330 -1.982 1.00 0.00 H new ATOM 77 N SER A 7 10.369 9.826 -3.250 1.00 0.00 N ATOM 78 CA SER A 7 10.841 8.456 -3.152 1.00 0.00 C ATOM 79 C SER A 7 10.805 7.789 -4.518 1.00 0.00 C ATOM 80 O SER A 7 10.219 8.321 -5.465 1.00 0.00 O ATOM 81 CB SER A 7 10.021 7.660 -2.132 1.00 0.00 C ATOM 82 OG SER A 7 8.646 7.718 -2.428 1.00 0.00 O ATOM 0 H SER A 7 9.584 9.959 -3.888 1.00 0.00 H new ATOM 0 HA SER A 7 11.873 8.474 -2.802 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.351 6.621 -2.127 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.197 8.055 -1.132 1.00 0.00 H new ATOM 0 HG SER A 7 8.311 8.621 -2.249 1.00 0.00 H new ATOM 87 N ARG A 8 11.429 6.631 -4.617 1.00 0.00 N ATOM 88 CA ARG A 8 11.498 5.902 -5.873 1.00 0.00 C ATOM 89 C ARG A 8 11.564 4.403 -5.630 1.00 0.00 C ATOM 90 O ARG A 8 11.786 3.959 -4.498 1.00 0.00 O ATOM 91 CB ARG A 8 12.747 6.324 -6.645 1.00 0.00 C ATOM 92 CG ARG A 8 14.028 5.932 -5.936 1.00 0.00 C ATOM 93 CD ARG A 8 15.256 6.236 -6.767 1.00 0.00 C ATOM 94 NE ARG A 8 16.448 5.656 -6.164 1.00 0.00 N ATOM 95 CZ ARG A 8 17.687 5.853 -6.601 1.00 0.00 C ATOM 96 NH1 ARG A 8 17.919 6.670 -7.621 1.00 0.00 N ATOM 97 NH2 ARG A 8 18.693 5.240 -5.992 1.00 0.00 N ATOM 0 H ARG A 8 11.899 6.171 -3.838 1.00 0.00 H new ATOM 0 HA ARG A 8 10.600 6.132 -6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.729 5.868 -7.635 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.732 7.404 -6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.093 6.463 -4.986 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.002 4.867 -5.705 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.125 5.842 -7.775 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.379 7.315 -6.860 1.00 0.00 H new ATOM 0 HE ARG A 8 16.323 5.056 -5.349 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.143 7.152 -8.075 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.873 6.816 -7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.511 4.626 -5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.649 5.383 -6.317 1.00 0.00 H new ATOM 108 N ASN A 9 11.384 3.643 -6.707 1.00 0.00 N ATOM 109 CA ASN A 9 11.454 2.183 -6.673 1.00 0.00 C ATOM 110 C ASN A 9 10.501 1.585 -5.647 1.00 0.00 C ATOM 111 O ASN A 9 10.868 0.668 -4.911 1.00 0.00 O ATOM 112 CB ASN A 9 12.891 1.718 -6.396 1.00 0.00 C ATOM 113 CG ASN A 9 13.830 1.985 -7.561 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.428 1.950 -8.724 1.00 0.00 O ATOM 115 ND2 ASN A 9 15.090 2.263 -7.265 1.00 0.00 N ATOM 0 H ASN A 9 11.185 4.023 -7.632 1.00 0.00 H new ATOM 0 HA ASN A 9 11.144 1.825 -7.655 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.268 2.225 -5.508 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.887 0.651 -6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.758 2.456 -8.011 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.392 2.284 -6.291 1.00 0.00 H new ATOM 121 N ALA A 10 9.280 2.105 -5.596 1.00 0.00 N ATOM 122 CA ALA A 10 8.289 1.595 -4.663 1.00 0.00 C ATOM 123 C ALA A 10 7.804 0.226 -5.120 1.00 0.00 C ATOM 124 O ALA A 10 7.217 0.087 -6.197 1.00 0.00 O ATOM 125 CB ALA A 10 7.121 2.558 -4.537 1.00 0.00 C ATOM 0 H ALA A 10 8.957 2.872 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 10 8.753 1.497 -3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.392 2.156 -3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.481 3.521 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.651 2.689 -5.512 1.00 0.00 H new ATOM 131 N VAL A 11 8.060 -0.780 -4.301 1.00 0.00 N ATOM 132 CA VAL A 11 7.667 -2.144 -4.613 1.00 0.00 C ATOM 133 C VAL A 11 6.802 -2.722 -3.503 1.00 0.00 C ATOM 134 O VAL A 11 6.646 -2.115 -2.439 1.00 0.00 O ATOM 135 CB VAL A 11 8.898 -3.054 -4.831 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.690 -2.606 -6.051 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.785 -3.071 -3.596 1.00 0.00 C ATOM 0 H VAL A 11 8.542 -0.676 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 11 7.093 -2.109 -5.539 1.00 0.00 H new ATOM 0 HB VAL A 11 8.540 -4.068 -5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.552 -3.260 -6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.055 -2.656 -6.935 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.032 -1.581 -5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.644 -3.718 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.130 -2.060 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.217 -3.448 -2.745 1.00 0.00 H new ATOM 147 N LEU A 12 6.263 -3.906 -3.749 1.00 0.00 N ATOM 148 CA LEU A 12 5.402 -4.571 -2.784 1.00 0.00 C ATOM 149 C LEU A 12 6.139 -5.710 -2.099 1.00 0.00 C ATOM 150 O LEU A 12 6.536 -6.686 -2.742 1.00 0.00 O ATOM 151 CB LEU A 12 4.143 -5.123 -3.474 1.00 0.00 C ATOM 152 CG LEU A 12 3.059 -4.101 -3.842 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.687 -3.253 -2.636 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.499 -3.225 -5.005 1.00 0.00 C ATOM 0 H LEU A 12 6.408 -4.428 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 12 5.110 -3.834 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.451 -5.637 -4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.697 -5.873 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 12 2.174 -4.652 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.917 -2.535 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.309 -3.896 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.568 -2.719 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.710 -2.511 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.406 -2.686 -4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.697 -3.849 -5.876 1.00 0.00 H new ATOM 165 N THR A 13 6.331 -5.577 -0.796 1.00 0.00 N ATOM 166 CA THR A 13 7.008 -6.596 -0.020 1.00 0.00 C ATOM 167 C THR A 13 6.039 -7.267 0.950 1.00 0.00 C ATOM 168 O THR A 13 4.958 -6.733 1.230 1.00 0.00 O ATOM 169 CB THR A 13 8.211 -6.011 0.753 1.00 0.00 C ATOM 170 OG1 THR A 13 7.815 -4.849 1.494 1.00 0.00 O ATOM 171 CG2 THR A 13 9.332 -5.643 -0.203 1.00 0.00 C ATOM 0 H THR A 13 6.025 -4.769 -0.255 1.00 0.00 H new ATOM 0 HA THR A 13 7.384 -7.344 -0.718 1.00 0.00 H new ATOM 0 HB THR A 13 8.569 -6.773 1.446 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.477 -4.666 2.193 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.170 -5.233 0.360 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.658 -6.533 -0.742 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.974 -4.899 -0.914 1.00 0.00 H new ATOM 179 N ASN A 14 6.416 -8.451 1.428 1.00 0.00 N ATOM 180 CA ASN A 14 5.598 -9.211 2.374 1.00 0.00 C ATOM 181 C ASN A 14 4.227 -9.526 1.787 1.00 0.00 C ATOM 182 O ASN A 14 3.201 -9.369 2.449 1.00 0.00 O ATOM 183 CB ASN A 14 5.439 -8.441 3.690 1.00 0.00 C ATOM 184 CG ASN A 14 6.728 -8.353 4.475 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.563 -9.257 4.428 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.909 -7.257 5.190 1.00 0.00 N ATOM 0 H ASN A 14 7.291 -8.909 1.173 1.00 0.00 H new ATOM 0 HA ASN A 14 6.111 -10.152 2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.080 -7.434 3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.679 -8.928 4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.766 -7.136 5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.192 -6.532 5.202 1.00 0.00 H new ATOM 192 N GLY A 15 4.216 -9.956 0.533 1.00 0.00 N ATOM 193 CA GLY A 15 2.971 -10.281 -0.133 1.00 0.00 C ATOM 194 C GLY A 15 2.343 -9.072 -0.795 1.00 0.00 C ATOM 195 O GLY A 15 1.566 -9.204 -1.742 1.00 0.00 O ATOM 0 H GLY A 15 5.052 -10.086 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.153 -11.050 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.272 -10.700 0.591 1.00 0.00 H new ATOM 199 N GLY A 16 2.691 -7.892 -0.300 1.00 0.00 N ATOM 200 CA GLY A 16 2.154 -6.662 -0.848 1.00 0.00 C ATOM 201 C GLY A 16 1.493 -5.815 0.212 1.00 0.00 C ATOM 202 O GLY A 16 0.723 -4.906 -0.091 1.00 0.00 O ATOM 0 H GLY A 16 3.340 -7.764 0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.956 -6.094 -1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.430 -6.898 -1.628 1.00 0.00 H new ATOM 206 N ARG A 17 1.798 -6.116 1.463 1.00 0.00 N ATOM 207 CA ARG A 17 1.227 -5.387 2.582 1.00 0.00 C ATOM 208 C ARG A 17 2.174 -4.290 3.037 1.00 0.00 C ATOM 209 O ARG A 17 1.765 -3.315 3.673 1.00 0.00 O ATOM 210 CB ARG A 17 0.945 -6.341 3.742 1.00 0.00 C ATOM 211 CG ARG A 17 2.189 -6.854 4.442 1.00 0.00 C ATOM 212 CD ARG A 17 1.860 -7.968 5.419 1.00 0.00 C ATOM 213 NE ARG A 17 0.747 -7.631 6.311 1.00 0.00 N ATOM 214 CZ ARG A 17 0.681 -7.988 7.595 1.00 0.00 C ATOM 215 NH1 ARG A 17 1.679 -8.657 8.158 1.00 0.00 N ATOM 216 NH2 ARG A 17 -0.394 -7.686 8.313 1.00 0.00 N ATOM 0 H ARG A 17 2.440 -6.863 1.729 1.00 0.00 H new ATOM 0 HA ARG A 17 0.291 -4.932 2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.315 -5.832 4.471 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.375 -7.192 3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.901 -7.218 3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.673 -6.034 4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.613 -8.872 4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.743 -8.193 6.017 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.026 -7.089 5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.503 -8.901 7.609 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.622 -8.927 9.140 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.169 -7.181 7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.445 -7.959 9.295 1.00 0.00 H new ATOM 227 N THR A 18 3.443 -4.460 2.707 1.00 0.00 N ATOM 228 CA THR A 18 4.464 -3.513 3.088 1.00 0.00 C ATOM 229 C THR A 18 5.002 -2.774 1.864 1.00 0.00 C ATOM 230 O THR A 18 5.243 -3.379 0.816 1.00 0.00 O ATOM 231 CB THR A 18 5.618 -4.243 3.796 1.00 0.00 C ATOM 232 OG1 THR A 18 5.092 -5.271 4.653 1.00 0.00 O ATOM 233 CG2 THR A 18 6.445 -3.273 4.620 1.00 0.00 C ATOM 0 H THR A 18 3.788 -5.256 2.170 1.00 0.00 H new ATOM 0 HA THR A 18 4.020 -2.786 3.768 1.00 0.00 H new ATOM 0 HB THR A 18 6.258 -4.690 3.035 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.029 -4.932 5.570 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.255 -3.812 5.111 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.863 -2.506 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.812 -2.804 5.373 1.00 0.00 H new ATOM 241 N LEU A 19 5.164 -1.464 1.994 1.00 0.00 N ATOM 242 CA LEU A 19 5.682 -0.651 0.905 1.00 0.00 C ATOM 243 C LEU A 19 7.167 -0.409 1.075 1.00 0.00 C ATOM 244 O LEU A 19 7.582 0.277 2.010 1.00 0.00 O ATOM 245 CB LEU A 19 4.980 0.707 0.835 1.00 0.00 C ATOM 246 CG LEU A 19 3.519 0.682 0.410 1.00 0.00 C ATOM 247 CD1 LEU A 19 2.999 2.102 0.247 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.354 -0.100 -0.880 1.00 0.00 C ATOM 0 H LEU A 19 4.944 -0.943 2.843 1.00 0.00 H new ATOM 0 HA LEU A 19 5.495 -1.203 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.044 1.178 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.529 1.342 0.140 1.00 0.00 H new ATOM 0 HG LEU A 19 2.936 0.185 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.953 2.074 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.087 2.633 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.584 2.619 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.303 -0.108 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.944 0.369 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.697 -1.124 -0.731 1.00 0.00 H new ATOM 259 N ARG A 20 7.962 -0.974 0.187 1.00 0.00 N ATOM 260 CA ARG A 20 9.399 -0.778 0.239 1.00 0.00 C ATOM 261 C ARG A 20 9.816 0.184 -0.860 1.00 0.00 C ATOM 262 O ARG A 20 9.581 -0.074 -2.039 1.00 0.00 O ATOM 263 CB ARG A 20 10.131 -2.107 0.076 1.00 0.00 C ATOM 264 CG ARG A 20 11.640 -1.986 0.236 1.00 0.00 C ATOM 265 CD ARG A 20 12.339 -3.324 0.060 1.00 0.00 C ATOM 266 NE ARG A 20 12.082 -3.913 -1.255 1.00 0.00 N ATOM 267 CZ ARG A 20 12.891 -4.786 -1.859 1.00 0.00 C ATOM 268 NH1 ARG A 20 14.055 -5.114 -1.312 1.00 0.00 N ATOM 269 NH2 ARG A 20 12.545 -5.314 -3.027 1.00 0.00 N ATOM 0 H ARG A 20 7.640 -1.570 -0.576 1.00 0.00 H new ATOM 0 HA ARG A 20 9.664 -0.360 1.210 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.750 -2.816 0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.909 -2.518 -0.909 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.027 -1.276 -0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.869 -1.584 1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.413 -3.191 0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.004 -4.012 0.836 1.00 0.00 H new ATOM 0 HE ARG A 20 11.229 -3.638 -1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.336 -4.698 -0.424 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.668 -5.782 -1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.661 -5.052 -3.463 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.163 -5.981 -3.488 1.00 0.00 H new ATOM 280 N ALA A 21 10.423 1.293 -0.472 1.00 0.00 N ATOM 281 CA ALA A 21 10.865 2.289 -1.436 1.00 0.00 C ATOM 282 C ALA A 21 12.046 3.080 -0.901 1.00 0.00 C ATOM 283 O ALA A 21 12.310 3.088 0.306 1.00 0.00 O ATOM 284 CB ALA A 21 9.721 3.235 -1.774 1.00 0.00 C ATOM 0 H ALA A 21 10.621 1.527 0.501 1.00 0.00 H new ATOM 0 HA ALA A 21 11.181 1.768 -2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.063 3.976 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.894 2.668 -2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.386 3.739 -0.868 1.00 0.00 H new ATOM 290 N GLU A 22 12.749 3.745 -1.804 1.00 0.00 N ATOM 291 CA GLU A 22 13.884 4.570 -1.432 1.00 0.00 C ATOM 292 C GLU A 22 13.390 5.977 -1.176 1.00 0.00 C ATOM 293 O GLU A 22 13.041 6.695 -2.110 1.00 0.00 O ATOM 294 CB GLU A 22 14.944 4.581 -2.540 1.00 0.00 C ATOM 295 CG GLU A 22 15.624 3.240 -2.740 1.00 0.00 C ATOM 296 CD GLU A 22 16.569 3.243 -3.920 1.00 0.00 C ATOM 297 OE1 GLU A 22 17.619 3.912 -3.852 1.00 0.00 O ATOM 298 OE2 GLU A 22 16.264 2.583 -4.929 1.00 0.00 O ATOM 0 H GLU A 22 12.551 3.728 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 22 14.347 4.161 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.476 4.886 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.699 5.330 -2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.175 2.977 -1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.867 2.470 -2.887 1.00 0.00 H new ATOM 303 N CYS A 23 13.327 6.357 0.085 1.00 0.00 N ATOM 304 CA CYS A 23 12.858 7.677 0.446 1.00 0.00 C ATOM 305 C CYS A 23 14.035 8.620 0.593 1.00 0.00 C ATOM 306 O CYS A 23 15.035 8.281 1.222 1.00 0.00 O ATOM 307 CB CYS A 23 12.060 7.608 1.744 1.00 0.00 C ATOM 308 SG CYS A 23 10.736 6.378 1.718 1.00 0.00 S ATOM 0 H CYS A 23 13.595 5.770 0.875 1.00 0.00 H new ATOM 0 HA CYS A 23 12.206 8.055 -0.342 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.739 7.381 2.566 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.629 8.588 1.948 1.00 0.00 H new ATOM 0 HG CYS A 23 9.631 6.938 1.322 1.00 0.00 H new ATOM 313 N ARG A 24 13.937 9.786 -0.015 1.00 0.00 N ATOM 314 CA ARG A 24 14.999 10.751 0.060 1.00 0.00 C ATOM 315 C ARG A 24 14.885 11.580 1.330 1.00 0.00 C ATOM 316 O ARG A 24 13.898 12.288 1.534 1.00 0.00 O ATOM 317 CB ARG A 24 14.957 11.641 -1.172 1.00 0.00 C ATOM 318 CG ARG A 24 16.287 12.288 -1.472 1.00 0.00 C ATOM 319 CD ARG A 24 16.447 12.530 -2.954 1.00 0.00 C ATOM 320 NE ARG A 24 15.820 13.774 -3.394 1.00 0.00 N ATOM 321 CZ ARG A 24 16.258 14.494 -4.422 1.00 0.00 C ATOM 322 NH1 ARG A 24 17.337 14.112 -5.095 1.00 0.00 N ATOM 323 NH2 ARG A 24 15.636 15.610 -4.775 1.00 0.00 N ATOM 0 H ARG A 24 13.130 10.081 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 24 15.956 10.229 0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.644 11.049 -2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.205 12.417 -1.029 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.365 13.233 -0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.095 11.650 -1.114 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.508 12.556 -3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.012 11.695 -3.503 1.00 0.00 H new ATOM 0 HE ARG A 24 15.002 14.108 -2.885 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.833 13.263 -4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.670 14.667 -5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.815 15.922 -4.257 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.979 16.157 -5.565 1.00 0.00 H new ATOM 334 N ASN A 25 15.879 11.464 2.196 1.00 0.00 N ATOM 335 CA ASN A 25 15.889 12.222 3.435 1.00 0.00 C ATOM 336 C ASN A 25 16.411 13.625 3.164 1.00 0.00 C ATOM 337 O ASN A 25 17.046 13.865 2.129 1.00 0.00 O ATOM 338 CB ASN A 25 16.717 11.520 4.529 1.00 0.00 C ATOM 339 CG ASN A 25 18.161 11.240 4.139 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.776 11.981 3.376 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.706 10.156 4.668 1.00 0.00 N ATOM 0 H ASN A 25 16.686 10.854 2.064 1.00 0.00 H new ATOM 0 HA ASN A 25 14.868 12.286 3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.709 12.138 5.427 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.233 10.578 4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.671 9.910 4.446 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.161 9.567 5.298 1.00 0.00 H new ATOM 347 N ALA A 26 16.142 14.538 4.094 1.00 0.00 N ATOM 348 CA ALA A 26 16.548 15.940 3.973 1.00 0.00 C ATOM 349 C ALA A 26 18.048 16.105 3.748 1.00 0.00 C ATOM 350 O ALA A 26 18.495 17.131 3.234 1.00 0.00 O ATOM 351 CB ALA A 26 16.121 16.707 5.210 1.00 0.00 C ATOM 0 H ALA A 26 15.636 14.329 4.954 1.00 0.00 H new ATOM 0 HA ALA A 26 16.050 16.343 3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.425 17.749 5.115 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.037 16.654 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.593 16.270 6.090 1.00 0.00 H new ATOM 357 N ASP A 27 18.823 15.097 4.123 1.00 0.00 N ATOM 358 CA ASP A 27 20.269 15.148 3.949 1.00 0.00 C ATOM 359 C ASP A 27 20.631 14.944 2.478 1.00 0.00 C ATOM 360 O ASP A 27 21.751 15.220 2.051 1.00 0.00 O ATOM 361 CB ASP A 27 20.952 14.093 4.821 1.00 0.00 C ATOM 362 CG ASP A 27 22.462 14.173 4.748 1.00 0.00 C ATOM 363 OD1 ASP A 27 23.042 15.108 5.343 1.00 0.00 O ATOM 364 OD2 ASP A 27 23.078 13.295 4.111 1.00 0.00 O ATOM 0 H ASP A 27 18.477 14.237 4.548 1.00 0.00 H new ATOM 0 HA ASP A 27 20.623 16.131 4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.634 14.220 5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.628 13.101 4.507 1.00 0.00 H new ATOM 368 N GLY A 28 19.656 14.486 1.704 1.00 0.00 N ATOM 369 CA GLY A 28 19.867 14.249 0.290 1.00 0.00 C ATOM 370 C GLY A 28 20.352 12.841 0.019 1.00 0.00 C ATOM 371 O GLY A 28 21.127 12.605 -0.913 1.00 0.00 O ATOM 0 H GLY A 28 18.715 14.273 2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.936 14.422 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.595 14.964 -0.093 1.00 0.00 H new ATOM 375 N ASN A 29 19.911 11.903 0.846 1.00 0.00 N ATOM 376 CA ASN A 29 20.307 10.513 0.705 1.00 0.00 C ATOM 377 C ASN A 29 19.094 9.600 0.585 1.00 0.00 C ATOM 378 O ASN A 29 18.016 9.912 1.094 1.00 0.00 O ATOM 379 CB ASN A 29 21.146 10.096 1.907 1.00 0.00 C ATOM 380 CG ASN A 29 22.631 10.221 1.655 1.00 0.00 C ATOM 381 OD1 ASN A 29 23.256 9.326 1.086 1.00 0.00 O ATOM 382 ND2 ASN A 29 23.211 11.317 2.103 1.00 0.00 N ATOM 0 H ASN A 29 19.276 12.083 1.624 1.00 0.00 H new ATOM 0 HA ASN A 29 20.894 10.418 -0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 29 20.874 10.711 2.765 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.912 9.064 2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 29 24.215 11.448 1.983 1.00 0.00 H new ATOM 0 HD22 ASN A 29 22.655 12.034 2.569 1.00 0.00 H new ATOM 388 N TRP A 30 19.274 8.479 -0.101 1.00 0.00 N ATOM 389 CA TRP A 30 18.201 7.513 -0.280 1.00 0.00 C ATOM 390 C TRP A 30 18.222 6.479 0.834 1.00 0.00 C ATOM 391 O TRP A 30 19.219 5.777 1.025 1.00 0.00 O ATOM 392 CB TRP A 30 18.329 6.780 -1.618 1.00 0.00 C ATOM 393 CG TRP A 30 18.151 7.642 -2.829 1.00 0.00 C ATOM 394 CD1 TRP A 30 19.117 7.999 -3.722 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.934 8.238 -3.294 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.576 8.775 -4.714 1.00 0.00 N ATOM 397 CE2 TRP A 30 17.241 8.940 -4.473 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.618 8.249 -2.831 1.00 0.00 C ATOM 399 CZ2 TRP A 30 16.279 9.639 -5.195 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.665 8.947 -3.549 1.00 0.00 C ATOM 401 CH2 TRP A 30 15.000 9.633 -4.720 1.00 0.00 C ATOM 0 H TRP A 30 20.155 8.217 -0.543 1.00 0.00 H new ATOM 0 HA TRP A 30 17.264 8.069 -0.260 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.311 6.310 -1.666 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.591 5.979 -1.649 1.00 0.00 H new ATOM 0 HD1 TRP A 30 20.156 7.712 -3.657 1.00 0.00 H new ATOM 0 HE1 TRP A 30 19.088 9.166 -5.505 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.349 7.722 -1.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.536 10.168 -6.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.643 8.963 -3.199 1.00 0.00 H new ATOM 0 HH2 TRP A 30 14.232 10.168 -5.259 1.00 0.00 H new ATOM 411 N VAL A 31 17.133 6.395 1.572 1.00 0.00 N ATOM 412 CA VAL A 31 17.012 5.419 2.641 1.00 0.00 C ATOM 413 C VAL A 31 15.856 4.475 2.352 1.00 0.00 C ATOM 414 O VAL A 31 14.739 4.910 2.063 1.00 0.00 O ATOM 415 CB VAL A 31 16.821 6.070 4.029 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.159 6.471 4.623 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.908 7.279 3.947 1.00 0.00 C ATOM 0 H VAL A 31 16.315 6.993 1.452 1.00 0.00 H new ATOM 0 HA VAL A 31 17.950 4.865 2.673 1.00 0.00 H new ATOM 0 HB VAL A 31 16.354 5.330 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.001 6.927 5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.788 5.588 4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.650 7.187 3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.793 7.716 4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.342 8.018 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.932 6.973 3.570 1.00 0.00 H new ATOM 427 N THR A 32 16.136 3.185 2.393 1.00 0.00 N ATOM 428 CA THR A 32 15.124 2.179 2.138 1.00 0.00 C ATOM 429 C THR A 32 14.214 2.029 3.351 1.00 0.00 C ATOM 430 O THR A 32 14.645 1.562 4.406 1.00 0.00 O ATOM 431 CB THR A 32 15.774 0.823 1.802 1.00 0.00 C ATOM 432 OG1 THR A 32 16.746 1.002 0.762 1.00 0.00 O ATOM 433 CG2 THR A 32 14.731 -0.191 1.356 1.00 0.00 C ATOM 0 H THR A 32 17.061 2.809 2.602 1.00 0.00 H new ATOM 0 HA THR A 32 14.531 2.502 1.282 1.00 0.00 H new ATOM 0 HB THR A 32 16.257 0.442 2.702 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.160 0.140 0.550 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.219 -1.138 1.126 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.005 -0.342 2.155 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.220 0.179 0.467 1.00 0.00 H new ATOM 441 N SER A 33 12.966 2.441 3.206 1.00 0.00 N ATOM 442 CA SER A 33 12.014 2.359 4.299 1.00 0.00 C ATOM 443 C SER A 33 10.792 1.547 3.895 1.00 0.00 C ATOM 444 O SER A 33 10.376 1.572 2.734 1.00 0.00 O ATOM 445 CB SER A 33 11.602 3.763 4.745 1.00 0.00 C ATOM 446 OG SER A 33 12.714 4.480 5.259 1.00 0.00 O ATOM 0 H SER A 33 12.590 2.835 2.344 1.00 0.00 H new ATOM 0 HA SER A 33 12.494 1.851 5.136 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.173 4.305 3.902 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.826 3.693 5.507 1.00 0.00 H new ATOM 0 HG SER A 33 12.754 5.366 4.841 1.00 0.00 H new ATOM 451 N GLU A 34 10.240 0.819 4.857 1.00 0.00 N ATOM 452 CA GLU A 34 9.065 -0.003 4.625 1.00 0.00 C ATOM 453 C GLU A 34 7.952 0.351 5.605 1.00 0.00 C ATOM 454 O GLU A 34 8.189 0.489 6.807 1.00 0.00 O ATOM 455 CB GLU A 34 9.421 -1.488 4.750 1.00 0.00 C ATOM 456 CG GLU A 34 10.304 -2.003 3.626 1.00 0.00 C ATOM 457 CD GLU A 34 10.574 -3.491 3.722 1.00 0.00 C ATOM 458 OE1 GLU A 34 9.646 -4.288 3.471 1.00 0.00 O ATOM 459 OE2 GLU A 34 11.722 -3.872 4.036 1.00 0.00 O ATOM 0 H GLU A 34 10.593 0.783 5.813 1.00 0.00 H new ATOM 0 HA GLU A 34 8.709 0.193 3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.927 -1.652 5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.501 -2.072 4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.829 -1.786 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.252 -1.465 3.640 1.00 0.00 H new ATOM 464 N LEU A 35 6.743 0.515 5.083 1.00 0.00 N ATOM 465 CA LEU A 35 5.581 0.838 5.904 1.00 0.00 C ATOM 466 C LEU A 35 4.499 -0.198 5.633 1.00 0.00 C ATOM 467 O LEU A 35 4.201 -0.496 4.474 1.00 0.00 O ATOM 468 CB LEU A 35 5.069 2.254 5.574 1.00 0.00 C ATOM 469 CG LEU A 35 4.212 2.954 6.648 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.844 2.308 6.783 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.935 2.954 7.983 1.00 0.00 C ATOM 0 H LEU A 35 6.540 0.429 4.087 1.00 0.00 H new ATOM 0 HA LEU A 35 5.853 0.820 6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.932 2.886 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.483 2.198 4.656 1.00 0.00 H new ATOM 0 HG LEU A 35 4.058 3.985 6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.270 2.829 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.317 2.369 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.962 1.262 7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.318 3.451 8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.125 1.927 8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.882 3.484 7.884 1.00 0.00 H new ATOM 482 N ASP A 36 3.923 -0.747 6.691 1.00 0.00 N ATOM 483 CA ASP A 36 2.879 -1.753 6.550 1.00 0.00 C ATOM 484 C ASP A 36 1.515 -1.090 6.495 1.00 0.00 C ATOM 485 O ASP A 36 1.030 -0.560 7.488 1.00 0.00 O ATOM 486 CB ASP A 36 2.916 -2.755 7.707 1.00 0.00 C ATOM 487 CG ASP A 36 4.164 -3.610 7.699 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.181 -4.634 6.987 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.133 -3.266 8.410 1.00 0.00 O ATOM 0 H ASP A 36 4.159 -0.514 7.656 1.00 0.00 H new ATOM 0 HA ASP A 36 3.059 -2.292 5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.857 -2.215 8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.039 -3.399 7.652 1.00 0.00 H new ATOM 493 N LEU A 37 0.895 -1.132 5.331 1.00 0.00 N ATOM 494 CA LEU A 37 -0.416 -0.528 5.147 1.00 0.00 C ATOM 495 C LEU A 37 -1.521 -1.474 5.595 1.00 0.00 C ATOM 496 O LEU A 37 -2.614 -1.038 5.952 1.00 0.00 O ATOM 497 CB LEU A 37 -0.639 -0.171 3.680 1.00 0.00 C ATOM 498 CG LEU A 37 0.619 0.151 2.880 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.251 0.437 1.442 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.360 1.332 3.483 1.00 0.00 C ATOM 0 H LEU A 37 1.276 -1.578 4.497 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.448 0.376 5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.152 -1.002 3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.308 0.688 3.632 1.00 0.00 H new ATOM 0 HG LEU A 37 1.283 -0.713 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.153 0.667 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.237 -0.437 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.429 1.288 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.253 1.541 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.711 2.208 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.648 1.096 4.507 1.00 0.00 H new ATOM 511 N ASP A 38 -1.221 -2.770 5.593 1.00 0.00 N ATOM 512 CA ASP A 38 -2.196 -3.796 5.972 1.00 0.00 C ATOM 513 C ASP A 38 -2.687 -3.621 7.404 1.00 0.00 C ATOM 514 O ASP A 38 -3.703 -4.185 7.792 1.00 0.00 O ATOM 515 CB ASP A 38 -1.562 -5.169 5.801 1.00 0.00 C ATOM 516 CG ASP A 38 -2.518 -6.313 5.969 1.00 0.00 C ATOM 517 OD1 ASP A 38 -3.198 -6.665 4.987 1.00 0.00 O ATOM 518 OD2 ASP A 38 -2.551 -6.892 7.066 1.00 0.00 O ATOM 0 H ASP A 38 -0.306 -3.139 5.332 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.065 -3.696 5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.113 -5.228 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.754 -5.276 6.524 1.00 0.00 H new ATOM 522 N THR A 39 -1.980 -2.818 8.181 1.00 0.00 N ATOM 523 CA THR A 39 -2.352 -2.585 9.562 1.00 0.00 C ATOM 524 C THR A 39 -3.531 -1.606 9.667 1.00 0.00 C ATOM 525 O THR A 39 -4.166 -1.509 10.718 1.00 0.00 O ATOM 526 CB THR A 39 -1.147 -2.066 10.385 1.00 0.00 C ATOM 527 OG1 THR A 39 -1.445 -2.100 11.787 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.771 -0.647 9.985 1.00 0.00 C ATOM 0 H THR A 39 -1.145 -2.317 7.877 1.00 0.00 H new ATOM 0 HA THR A 39 -2.667 -3.542 9.978 1.00 0.00 H new ATOM 0 HB THR A 39 -0.302 -2.722 10.175 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.413 -2.020 11.918 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.078 -0.314 10.582 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.503 -0.626 8.929 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.619 0.016 10.158 1.00 0.00 H new ATOM 536 N CYS A 40 -3.845 -0.897 8.581 1.00 0.00 N ATOM 537 CA CYS A 40 -4.948 0.057 8.614 1.00 0.00 C ATOM 538 C CYS A 40 -5.860 -0.061 7.388 1.00 0.00 C ATOM 539 O CYS A 40 -6.851 0.662 7.275 1.00 0.00 O ATOM 540 CB CYS A 40 -4.410 1.485 8.744 1.00 0.00 C ATOM 541 SG CYS A 40 -5.696 2.734 9.001 1.00 0.00 S ATOM 0 H CYS A 40 -3.361 -0.964 7.686 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.555 -0.182 9.488 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.708 1.524 9.577 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.850 1.735 7.843 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.798 2.345 8.432 1.00 0.00 H new ATOM 546 N ILE A 41 -5.541 -0.967 6.474 1.00 0.00 N ATOM 547 CA ILE A 41 -6.377 -1.161 5.293 1.00 0.00 C ATOM 548 C ILE A 41 -7.112 -2.490 5.396 1.00 0.00 C ATOM 549 O ILE A 41 -6.517 -3.505 5.763 1.00 0.00 O ATOM 550 CB ILE A 41 -5.567 -1.133 3.977 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.811 0.188 3.833 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.490 -1.341 2.778 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.987 0.282 2.567 1.00 0.00 C ATOM 0 H ILE A 41 -4.722 -1.573 6.524 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.083 -0.331 5.264 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.841 -1.946 4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.527 1.010 3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.155 0.317 4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.904 -1.319 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.989 -2.306 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.237 -0.547 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.479 1.246 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.247 -0.518 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.640 0.186 1.700 1.00 0.00 H new ATOM 564 N GLY A 42 -8.401 -2.481 5.078 1.00 0.00 N ATOM 565 CA GLY A 42 -9.190 -3.694 5.147 1.00 0.00 C ATOM 566 C GLY A 42 -10.129 -3.828 3.973 1.00 0.00 C ATOM 567 O GLY A 42 -10.484 -2.827 3.347 1.00 0.00 O ATOM 0 H GLY A 42 -8.914 -1.653 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.525 -4.557 5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.765 -3.700 6.073 1.00 0.00 H new ATOM 571 N ASN A 43 -10.530 -5.059 3.669 1.00 0.00 N ATOM 572 CA ASN A 43 -11.428 -5.311 2.545 1.00 0.00 C ATOM 573 C ASN A 43 -12.063 -6.716 2.581 1.00 0.00 C ATOM 574 O ASN A 43 -12.180 -7.362 1.539 1.00 0.00 O ATOM 575 CB ASN A 43 -10.652 -5.134 1.231 1.00 0.00 C ATOM 576 CG ASN A 43 -9.556 -6.172 1.038 1.00 0.00 C ATOM 577 OD1 ASN A 43 -9.116 -6.345 -0.195 1.00 0.00 O flip ATOM 578 ND2 ASN A 43 -9.087 -6.791 1.990 1.00 0.00 N flip ATOM 0 H ASN A 43 -10.249 -5.895 4.182 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.244 -4.592 2.617 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.349 -5.191 0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.209 -4.138 1.210 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.450 -6.633 2.930 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.334 -7.463 1.840 1.00 0.00 H new ATOM 584 N PRO A 44 -12.544 -7.202 3.750 1.00 0.00 N ATOM 585 CA PRO A 44 -13.137 -8.544 3.842 1.00 0.00 C ATOM 586 C PRO A 44 -14.517 -8.614 3.195 1.00 0.00 C ATOM 587 O PRO A 44 -14.981 -9.684 2.802 1.00 0.00 O ATOM 588 CB PRO A 44 -13.239 -8.781 5.348 1.00 0.00 C ATOM 589 CG PRO A 44 -13.389 -7.421 5.929 1.00 0.00 C ATOM 590 CD PRO A 44 -12.586 -6.499 5.050 1.00 0.00 C ATOM 0 HA PRO A 44 -12.541 -9.291 3.318 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.092 -9.414 5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.350 -9.281 5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.437 -7.121 5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.026 -7.394 6.956 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.057 -5.520 4.961 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.585 -6.336 5.450 1.00 0.00 H new ATOM 595 N ASN A 45 -15.164 -7.460 3.084 1.00 0.00 N ATOM 596 CA ASN A 45 -16.491 -7.373 2.485 1.00 0.00 C ATOM 597 C ASN A 45 -16.395 -7.271 0.973 1.00 0.00 C ATOM 598 O ASN A 45 -17.378 -7.465 0.258 1.00 0.00 O ATOM 599 CB ASN A 45 -17.250 -6.158 3.029 1.00 0.00 C ATOM 600 CG ASN A 45 -17.643 -6.315 4.482 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.848 -7.429 4.964 1.00 0.00 O ATOM 602 ND2 ASN A 45 -17.770 -5.201 5.186 1.00 0.00 N ATOM 0 H ASN A 45 -14.789 -6.567 3.403 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.033 -8.282 2.746 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.630 -5.269 2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.146 -5.997 2.430 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.047 -5.246 6.167 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.590 -4.298 4.748 1.00 0.00 H new ATOM 608 N GLY A 46 -15.198 -6.987 0.485 1.00 0.00 N ATOM 609 CA GLY A 46 -15.007 -6.844 -0.939 1.00 0.00 C ATOM 610 C GLY A 46 -14.799 -5.399 -1.341 1.00 0.00 C ATOM 611 O GLY A 46 -14.794 -5.074 -2.524 1.00 0.00 O ATOM 0 H GLY A 46 -14.359 -6.854 1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.145 -7.435 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.874 -7.245 -1.463 1.00 0.00 H new ATOM 615 N PHE A 47 -14.654 -4.528 -0.348 1.00 0.00 N ATOM 616 CA PHE A 47 -14.443 -3.106 -0.594 1.00 0.00 C ATOM 617 C PHE A 47 -13.191 -2.623 0.126 1.00 0.00 C ATOM 618 O PHE A 47 -12.942 -3.004 1.265 1.00 0.00 O ATOM 619 CB PHE A 47 -15.663 -2.301 -0.146 1.00 0.00 C ATOM 620 CG PHE A 47 -16.919 -2.674 -0.882 1.00 0.00 C ATOM 621 CD1 PHE A 47 -17.055 -2.383 -2.230 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.955 -3.325 -0.231 1.00 0.00 C ATOM 623 CE1 PHE A 47 -18.205 -2.732 -2.915 1.00 0.00 C ATOM 624 CE2 PHE A 47 -19.105 -3.676 -0.912 1.00 0.00 C ATOM 625 CZ PHE A 47 -19.230 -3.379 -2.254 1.00 0.00 C ATOM 0 H PHE A 47 -14.679 -4.784 0.639 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.305 -2.956 -1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.817 -2.451 0.923 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.464 -1.239 -0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -16.255 -1.878 -2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.863 -3.560 0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -18.301 -2.499 -3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.906 -4.183 -0.394 1.00 0.00 H new ATOM 0 HZ PHE A 47 -20.129 -3.652 -2.787 1.00 0.00 H new ATOM 634 N LEU A 48 -12.419 -1.780 -0.546 1.00 0.00 N ATOM 635 CA LEU A 48 -11.174 -1.251 0.009 1.00 0.00 C ATOM 636 C LEU A 48 -11.398 0.042 0.779 1.00 0.00 C ATOM 637 O LEU A 48 -12.313 0.812 0.482 1.00 0.00 O ATOM 638 CB LEU A 48 -10.171 -0.986 -1.118 1.00 0.00 C ATOM 639 CG LEU A 48 -9.166 -2.105 -1.398 1.00 0.00 C ATOM 640 CD1 LEU A 48 -9.876 -3.396 -1.738 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.233 -1.705 -2.527 1.00 0.00 C ATOM 0 H LEU A 48 -12.633 -1.444 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.785 -2.000 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.728 -0.787 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.617 -0.078 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.577 -2.267 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.140 -4.176 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.508 -3.695 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.493 -3.249 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.523 -2.511 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.814 -1.515 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.691 -0.802 -2.248 1.00 0.00 H new ATOM 652 N GLY A 49 -10.548 0.274 1.767 1.00 0.00 N ATOM 653 CA GLY A 49 -10.629 1.481 2.556 1.00 0.00 C ATOM 654 C GLY A 49 -9.779 1.403 3.806 1.00 0.00 C ATOM 655 O GLY A 49 -9.247 0.340 4.138 1.00 0.00 O ATOM 0 H GLY A 49 -9.797 -0.361 2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.308 2.330 1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.667 1.662 2.835 1.00 0.00 H new ATOM 659 N TRP A 50 -9.647 2.528 4.491 1.00 0.00 N ATOM 660 CA TRP A 50 -8.860 2.599 5.711 1.00 0.00 C ATOM 661 C TRP A 50 -9.767 2.433 6.926 1.00 0.00 C ATOM 662 O TRP A 50 -10.823 3.065 7.012 1.00 0.00 O ATOM 663 CB TRP A 50 -8.117 3.939 5.803 1.00 0.00 C ATOM 664 CG TRP A 50 -7.101 4.165 4.716 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.313 4.748 3.497 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.708 3.828 4.760 1.00 0.00 C ATOM 667 NE1 TRP A 50 -6.132 4.797 2.786 1.00 0.00 N ATOM 668 CE2 TRP A 50 -5.137 4.233 3.537 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.888 3.219 5.710 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.788 4.050 3.246 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.548 3.040 5.421 1.00 0.00 C ATOM 672 CH2 TRP A 50 -3.011 3.454 4.197 1.00 0.00 C ATOM 0 H TRP A 50 -10.079 3.411 4.219 1.00 0.00 H new ATOM 0 HA TRP A 50 -8.126 1.794 5.692 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.847 4.748 5.774 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.616 3.997 6.769 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.265 5.116 3.143 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.019 5.190 1.852 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.294 2.893 6.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.371 4.368 2.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.905 2.573 6.152 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.960 3.299 4.001 1.00 0.00 H new ATOM 682 N GLY A 51 -9.363 1.573 7.847 1.00 0.00 N ATOM 683 CA GLY A 51 -10.142 1.333 9.047 1.00 0.00 C ATOM 684 C GLY A 51 -9.838 -0.020 9.645 1.00 0.00 C ATOM 685 O GLY A 51 -9.329 -0.121 10.761 1.00 0.00 O ATOM 0 H GLY A 51 -8.501 1.031 7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.931 2.111 9.780 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.204 1.397 8.811 1.00 0.00 H new ATOM 689 N MET A 52 -10.141 -1.059 8.887 1.00 0.00 N ATOM 690 CA MET A 52 -9.896 -2.426 9.315 1.00 0.00 C ATOM 691 C MET A 52 -8.482 -2.813 8.889 1.00 0.00 C ATOM 692 O MET A 52 -7.807 -2.021 8.250 1.00 0.00 O ATOM 693 CB MET A 52 -10.943 -3.353 8.686 1.00 0.00 C ATOM 694 CG MET A 52 -11.020 -4.735 9.320 1.00 0.00 C ATOM 695 SD MET A 52 -12.417 -5.699 8.714 1.00 0.00 S ATOM 696 CE MET A 52 -13.789 -4.657 9.206 1.00 0.00 C ATOM 0 H MET A 52 -10.562 -0.980 7.961 1.00 0.00 H new ATOM 0 HA MET A 52 -9.978 -2.517 10.398 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.921 -2.878 8.758 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.721 -3.465 7.625 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.095 -5.275 9.118 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.098 -4.630 10.402 1.00 0.00 H new ATOM 0 HE1 MET A 52 -14.682 -5.268 9.335 1.00 0.00 H new ATOM 0 HE2 MET A 52 -13.550 -4.160 10.146 1.00 0.00 H new ATOM 0 HE3 MET A 52 -13.971 -3.907 8.436 1.00 0.00 H new ATOM 704 N GLN A 53 -8.025 -4.003 9.241 1.00 0.00 N ATOM 705 CA GLN A 53 -6.678 -4.423 8.877 1.00 0.00 C ATOM 706 C GLN A 53 -6.673 -5.813 8.242 1.00 0.00 C ATOM 707 O GLN A 53 -7.704 -6.494 8.221 1.00 0.00 O ATOM 708 CB GLN A 53 -5.781 -4.420 10.114 1.00 0.00 C ATOM 709 CG GLN A 53 -6.306 -5.283 11.245 1.00 0.00 C ATOM 710 CD GLN A 53 -5.323 -5.411 12.392 1.00 0.00 C ATOM 711 OE1 GLN A 53 -4.521 -4.380 12.618 1.00 0.00 O flip ATOM 712 NE2 GLN A 53 -5.284 -6.435 13.070 1.00 0.00 N flip ATOM 0 H GLN A 53 -8.559 -4.691 9.773 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.296 -3.715 8.141 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.787 -4.769 9.833 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.671 -3.396 10.470 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.238 -4.858 11.617 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.539 -6.276 10.860 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.918 -7.207 12.865 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.618 -6.513 13.838 1.00 0.00 H new ATOM 719 N ASN A 54 -5.502 -6.214 7.733 1.00 0.00 N ATOM 720 CA ASN A 54 -5.307 -7.521 7.104 1.00 0.00 C ATOM 721 C ASN A 54 -6.061 -7.629 5.783 1.00 0.00 C ATOM 722 O ASN A 54 -6.725 -8.634 5.515 1.00 0.00 O ATOM 723 CB ASN A 54 -5.711 -8.660 8.053 1.00 0.00 C ATOM 724 CG ASN A 54 -4.666 -8.945 9.121 1.00 0.00 C ATOM 725 OD1 ASN A 54 -4.797 -8.303 10.270 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -3.759 -9.751 8.921 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.661 -5.637 7.747 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.243 -7.618 6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.655 -8.406 8.535 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.884 -9.566 7.471 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.689 -10.228 8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.076 -9.943 9.654 1.00 0.00 H new ATOM 732 N PHE A 55 -5.933 -6.603 4.948 1.00 0.00 N ATOM 733 CA PHE A 55 -6.596 -6.579 3.650 1.00 0.00 C ATOM 734 C PHE A 55 -5.862 -7.476 2.658 1.00 0.00 C ATOM 735 O PHE A 55 -6.458 -8.002 1.721 1.00 0.00 O ATOM 736 CB PHE A 55 -6.664 -5.150 3.093 1.00 0.00 C ATOM 737 CG PHE A 55 -5.384 -4.662 2.469 1.00 0.00 C ATOM 738 CD1 PHE A 55 -4.323 -4.246 3.255 1.00 0.00 C ATOM 739 CD2 PHE A 55 -5.244 -4.620 1.089 1.00 0.00 C ATOM 740 CE1 PHE A 55 -3.149 -3.799 2.681 1.00 0.00 C ATOM 741 CE2 PHE A 55 -4.072 -4.173 0.511 1.00 0.00 C ATOM 742 CZ PHE A 55 -3.023 -3.762 1.308 1.00 0.00 C ATOM 0 H PHE A 55 -5.374 -5.774 5.149 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.611 -6.951 3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.458 -5.101 2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.942 -4.472 3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.414 -4.271 4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.061 -4.941 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.330 -3.478 3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.976 -4.145 -0.564 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.106 -3.412 0.858 1.00 0.00 H new ATOM 751 N SER A 56 -4.566 -7.656 2.880 1.00 0.00 N ATOM 752 CA SER A 56 -3.738 -8.466 1.995 1.00 0.00 C ATOM 753 C SER A 56 -4.209 -9.914 1.982 1.00 0.00 C ATOM 754 O SER A 56 -4.096 -10.612 0.975 1.00 0.00 O ATOM 755 CB SER A 56 -2.281 -8.397 2.442 1.00 0.00 C ATOM 756 OG SER A 56 -1.900 -7.057 2.689 1.00 0.00 O ATOM 0 H SER A 56 -4.064 -7.250 3.669 1.00 0.00 H new ATOM 0 HA SER A 56 -3.826 -8.069 0.984 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.143 -8.992 3.344 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.638 -8.828 1.674 1.00 0.00 H new ATOM 0 HG SER A 56 -2.242 -6.776 3.563 1.00 0.00 H new ATOM 761 N HIS A 57 -4.764 -10.351 3.102 1.00 0.00 N ATOM 762 CA HIS A 57 -5.249 -11.717 3.232 1.00 0.00 C ATOM 763 C HIS A 57 -6.642 -11.856 2.626 1.00 0.00 C ATOM 764 O HIS A 57 -7.206 -12.947 2.583 1.00 0.00 O ATOM 765 CB HIS A 57 -5.253 -12.144 4.700 1.00 0.00 C ATOM 766 CG HIS A 57 -3.898 -12.115 5.342 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.521 -11.814 6.608 1.00 0.00 N flip ATOM 768 CD2 HIS A 57 -2.733 -12.396 4.660 1.00 0.00 C flip ATOM 769 CE1 HIS A 57 -2.154 -11.923 6.664 1.00 0.00 C flip ATOM 770 NE2 HIS A 57 -1.704 -12.278 5.478 1.00 0.00 N flip ATOM 0 H HIS A 57 -4.890 -9.778 3.936 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.575 -12.375 2.684 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.923 -11.489 5.257 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.659 -13.153 4.774 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.672 -12.670 3.617 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.546 -11.746 7.539 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.726 -12.435 5.233 1.00 0.00 H new ATOM 778 N SER A 58 -7.192 -10.746 2.168 1.00 0.00 N ATOM 779 CA SER A 58 -8.506 -10.742 1.555 1.00 0.00 C ATOM 780 C SER A 58 -8.456 -10.048 0.196 1.00 0.00 C ATOM 781 O SER A 58 -9.440 -9.470 -0.258 1.00 0.00 O ATOM 782 CB SER A 58 -9.512 -10.052 2.477 1.00 0.00 C ATOM 783 OG SER A 58 -9.550 -10.689 3.745 1.00 0.00 O ATOM 0 H SER A 58 -6.745 -9.830 2.210 1.00 0.00 H new ATOM 0 HA SER A 58 -8.827 -11.772 1.400 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.241 -9.003 2.599 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.503 -10.074 2.024 1.00 0.00 H new ATOM 0 HG SER A 58 -10.198 -10.232 4.321 1.00 0.00 H new ATOM 788 N SER A 59 -7.301 -10.107 -0.453 1.00 0.00 N ATOM 789 CA SER A 59 -7.137 -9.485 -1.758 1.00 0.00 C ATOM 790 C SER A 59 -6.234 -10.322 -2.655 1.00 0.00 C ATOM 791 O SER A 59 -5.454 -11.147 -2.175 1.00 0.00 O ATOM 792 CB SER A 59 -6.577 -8.070 -1.605 1.00 0.00 C ATOM 793 OG SER A 59 -5.452 -8.059 -0.750 1.00 0.00 O ATOM 0 H SER A 59 -6.468 -10.577 -0.099 1.00 0.00 H new ATOM 0 HA SER A 59 -8.117 -9.425 -2.231 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.298 -7.678 -2.583 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.348 -7.411 -1.205 1.00 0.00 H new ATOM 0 HG SER A 59 -5.750 -8.021 0.183 1.00 0.00 H new ATOM 798 N GLU A 60 -6.369 -10.124 -3.958 1.00 0.00 N ATOM 799 CA GLU A 60 -5.570 -10.845 -4.938 1.00 0.00 C ATOM 800 C GLU A 60 -4.890 -9.859 -5.884 1.00 0.00 C ATOM 801 O GLU A 60 -5.512 -8.887 -6.319 1.00 0.00 O ATOM 802 CB GLU A 60 -6.456 -11.804 -5.737 1.00 0.00 C ATOM 803 CG GLU A 60 -7.316 -12.714 -4.871 1.00 0.00 C ATOM 804 CD GLU A 60 -8.217 -13.610 -5.691 1.00 0.00 C ATOM 805 OE1 GLU A 60 -8.855 -13.111 -6.637 1.00 0.00 O ATOM 806 OE2 GLU A 60 -8.284 -14.825 -5.403 1.00 0.00 O ATOM 0 H GLU A 60 -7.031 -9.463 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.807 -11.421 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.105 -11.223 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.824 -12.419 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.671 -13.329 -4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.925 -12.105 -4.203 1.00 0.00 H new ATOM 811 N ASP A 61 -3.615 -10.109 -6.176 1.00 0.00 N ATOM 812 CA ASP A 61 -2.820 -9.267 -7.076 1.00 0.00 C ATOM 813 C ASP A 61 -2.715 -7.836 -6.562 1.00 0.00 C ATOM 814 O ASP A 61 -3.486 -6.958 -6.953 1.00 0.00 O ATOM 815 CB ASP A 61 -3.386 -9.275 -8.500 1.00 0.00 C ATOM 816 CG ASP A 61 -2.560 -8.428 -9.450 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.362 -8.737 -9.639 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.099 -7.452 -10.013 1.00 0.00 O ATOM 0 H ASP A 61 -3.100 -10.903 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.818 -9.695 -7.102 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.423 -10.300 -8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.411 -8.905 -8.484 1.00 0.00 H new ATOM 822 N ILE A 62 -1.759 -7.612 -5.680 1.00 0.00 N ATOM 823 CA ILE A 62 -1.539 -6.292 -5.114 1.00 0.00 C ATOM 824 C ILE A 62 -0.407 -5.584 -5.857 1.00 0.00 C ATOM 825 O ILE A 62 0.715 -6.087 -5.919 1.00 0.00 O ATOM 826 CB ILE A 62 -1.207 -6.384 -3.609 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.355 -7.071 -2.858 1.00 0.00 C ATOM 828 CG2 ILE A 62 -0.938 -5.000 -3.034 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.076 -7.305 -1.389 1.00 0.00 C ATOM 0 H ILE A 62 -1.120 -8.329 -5.338 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.457 -5.716 -5.227 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.304 -6.982 -3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.254 -6.462 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.566 -8.028 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.706 -5.086 -1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.094 -4.548 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.821 -4.374 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.935 -7.794 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.196 -7.940 -1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.896 -6.350 -0.896 1.00 0.00 H new ATOM 840 N LYS A 63 -0.714 -4.436 -6.446 1.00 0.00 N ATOM 841 CA LYS A 63 0.278 -3.669 -7.189 1.00 0.00 C ATOM 842 C LYS A 63 -0.010 -2.173 -7.061 1.00 0.00 C ATOM 843 O LYS A 63 -1.166 -1.769 -6.945 1.00 0.00 O ATOM 844 CB LYS A 63 0.264 -4.086 -8.664 1.00 0.00 C ATOM 845 CG LYS A 63 1.483 -3.627 -9.449 1.00 0.00 C ATOM 846 CD LYS A 63 2.749 -4.319 -8.971 1.00 0.00 C ATOM 847 CE LYS A 63 3.982 -3.818 -9.711 1.00 0.00 C ATOM 848 NZ LYS A 63 3.912 -4.076 -11.175 1.00 0.00 N ATOM 0 H LYS A 63 -1.643 -4.015 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 63 1.265 -3.872 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.195 -5.172 -8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.632 -3.683 -9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.333 -3.833 -10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.597 -2.548 -9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.874 -4.150 -7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.651 -5.395 -9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.095 -2.748 -9.539 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.869 -4.302 -9.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.831 -3.858 -11.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.679 -5.076 -11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.177 -3.475 -11.599 1.00 0.00 H new ATOM 858 N LEU A 64 1.041 -1.361 -7.080 1.00 0.00 N ATOM 859 CA LEU A 64 0.905 0.089 -6.955 1.00 0.00 C ATOM 860 C LEU A 64 0.707 0.736 -8.322 1.00 0.00 C ATOM 861 O LEU A 64 1.273 0.283 -9.316 1.00 0.00 O ATOM 862 CB LEU A 64 2.147 0.667 -6.277 1.00 0.00 C ATOM 863 CG LEU A 64 2.380 0.184 -4.849 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.813 0.455 -4.421 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.410 0.860 -3.898 1.00 0.00 C ATOM 0 H LEU A 64 2.003 -1.683 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 64 0.027 0.304 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.021 0.416 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.067 1.754 -6.269 1.00 0.00 H new ATOM 0 HG LEU A 64 2.208 -0.892 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.960 0.104 -3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.497 -0.070 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.011 1.526 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.589 0.505 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.556 1.940 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.388 0.622 -4.191 1.00 0.00 H new ATOM 876 N GLU A 65 -0.092 1.797 -8.355 1.00 0.00 N ATOM 877 CA GLU A 65 -0.394 2.511 -9.597 1.00 0.00 C ATOM 878 C GLU A 65 0.343 3.843 -9.687 1.00 0.00 C ATOM 879 O GLU A 65 1.156 4.060 -10.583 1.00 0.00 O ATOM 880 CB GLU A 65 -1.897 2.773 -9.692 1.00 0.00 C ATOM 881 CG GLU A 65 -2.734 1.514 -9.783 1.00 0.00 C ATOM 882 CD GLU A 65 -2.652 0.847 -11.143 1.00 0.00 C ATOM 883 OE1 GLU A 65 -1.586 0.298 -11.484 1.00 0.00 O ATOM 884 OE2 GLU A 65 -3.651 0.887 -11.890 1.00 0.00 O ATOM 0 H GLU A 65 -0.547 2.187 -7.530 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.061 1.880 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.212 3.345 -8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.093 3.392 -10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.406 0.810 -9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.774 1.759 -9.566 1.00 0.00 H new ATOM 889 N GLU A 66 0.047 4.736 -8.751 1.00 0.00 N ATOM 890 CA GLU A 66 0.650 6.068 -8.727 1.00 0.00 C ATOM 891 C GLU A 66 2.055 6.042 -8.148 1.00 0.00 C ATOM 892 O GLU A 66 2.417 6.884 -7.325 1.00 0.00 O ATOM 893 CB GLU A 66 -0.216 7.008 -7.905 1.00 0.00 C ATOM 894 CG GLU A 66 -1.679 6.920 -8.258 1.00 0.00 C ATOM 895 CD GLU A 66 -1.991 7.399 -9.659 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.350 8.364 -10.119 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.891 6.815 -10.296 1.00 0.00 O ATOM 0 H GLU A 66 -0.612 4.562 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 66 0.716 6.420 -9.757 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.089 6.779 -6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.127 8.032 -8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.008 5.886 -8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.253 7.511 -7.544 1.00 0.00 H new ATOM 902 N GLY A 67 2.820 5.050 -8.553 1.00 0.00 N ATOM 903 CA GLY A 67 4.191 4.912 -8.090 1.00 0.00 C ATOM 904 C GLY A 67 4.281 4.699 -6.594 1.00 0.00 C ATOM 905 O GLY A 67 5.320 4.948 -5.986 1.00 0.00 O ATOM 0 H GLY A 67 2.518 4.324 -9.203 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.661 4.072 -8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.754 5.805 -8.361 1.00 0.00 H new ATOM 909 N GLY A 68 3.180 4.255 -5.999 1.00 0.00 N ATOM 910 CA GLY A 68 3.157 4.018 -4.575 1.00 0.00 C ATOM 911 C GLY A 68 2.097 4.836 -3.872 1.00 0.00 C ATOM 912 O GLY A 68 1.742 4.556 -2.733 1.00 0.00 O ATOM 0 H GLY A 68 2.304 4.056 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.978 2.959 -4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.134 4.255 -4.154 1.00 0.00 H new ATOM 916 N ARG A 69 1.568 5.844 -4.558 1.00 0.00 N ATOM 917 CA ARG A 69 0.543 6.697 -3.968 1.00 0.00 C ATOM 918 C ARG A 69 -0.839 6.068 -4.120 1.00 0.00 C ATOM 919 O ARG A 69 -1.850 6.647 -3.719 1.00 0.00 O ATOM 920 CB ARG A 69 0.565 8.088 -4.600 1.00 0.00 C ATOM 921 CG ARG A 69 1.882 8.810 -4.399 1.00 0.00 C ATOM 922 CD ARG A 69 1.839 10.230 -4.931 1.00 0.00 C ATOM 923 NE ARG A 69 1.768 10.279 -6.391 1.00 0.00 N ATOM 924 CZ ARG A 69 0.723 10.754 -7.075 1.00 0.00 C ATOM 925 NH1 ARG A 69 -0.344 11.219 -6.435 1.00 0.00 N ATOM 926 NH2 ARG A 69 0.752 10.768 -8.398 1.00 0.00 N ATOM 0 H ARG A 69 1.829 6.089 -5.513 1.00 0.00 H new ATOM 0 HA ARG A 69 0.761 6.798 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.365 7.999 -5.668 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.240 8.687 -4.174 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.127 8.828 -3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.678 8.259 -4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.976 10.746 -4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.726 10.767 -4.595 1.00 0.00 H new ATOM 0 HE ARG A 69 2.566 9.929 -6.920 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.369 11.215 -5.415 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.138 11.580 -6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.571 10.417 -8.894 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.045 11.130 -8.922 1.00 0.00 H new ATOM 937 N LYS A 70 -0.874 4.877 -4.696 1.00 0.00 N ATOM 938 CA LYS A 70 -2.120 4.158 -4.905 1.00 0.00 C ATOM 939 C LYS A 70 -1.850 2.669 -4.994 1.00 0.00 C ATOM 940 O LYS A 70 -0.934 2.243 -5.696 1.00 0.00 O ATOM 941 CB LYS A 70 -2.802 4.624 -6.185 1.00 0.00 C ATOM 942 CG LYS A 70 -4.146 3.957 -6.443 1.00 0.00 C ATOM 943 CD LYS A 70 -4.722 4.377 -7.782 1.00 0.00 C ATOM 944 CE LYS A 70 -5.062 5.856 -7.794 1.00 0.00 C ATOM 945 NZ LYS A 70 -5.355 6.346 -9.166 1.00 0.00 N ATOM 0 H LYS A 70 -0.046 4.384 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.778 4.361 -4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.946 5.703 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.142 4.428 -7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.027 2.874 -6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.843 4.219 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.005 4.160 -8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.618 3.794 -7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.925 6.035 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.230 6.423 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.792 7.288 -9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.471 6.405 -9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.008 5.688 -9.637 1.00 0.00 H new ATOM 955 N LEU A 71 -2.657 1.893 -4.299 1.00 0.00 N ATOM 956 CA LEU A 71 -2.515 0.449 -4.284 1.00 0.00 C ATOM 957 C LEU A 71 -3.753 -0.201 -4.888 1.00 0.00 C ATOM 958 O LEU A 71 -4.872 0.068 -4.464 1.00 0.00 O ATOM 959 CB LEU A 71 -2.304 -0.017 -2.840 1.00 0.00 C ATOM 960 CG LEU A 71 -2.123 -1.526 -2.622 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.281 -1.772 -1.381 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.470 -2.224 -2.477 1.00 0.00 C ATOM 0 H LEU A 71 -3.428 2.243 -3.730 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.653 0.154 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.426 0.492 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.158 0.312 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.616 -1.937 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.157 -2.845 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.303 -1.307 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.779 -1.341 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.312 -3.292 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.004 -1.810 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.059 -2.071 -3.382 1.00 0.00 H new ATOM 973 N THR A 72 -3.549 -1.043 -5.881 1.00 0.00 N ATOM 974 CA THR A 72 -4.648 -1.739 -6.528 1.00 0.00 C ATOM 975 C THR A 72 -4.565 -3.236 -6.270 1.00 0.00 C ATOM 976 O THR A 72 -3.486 -3.829 -6.338 1.00 0.00 O ATOM 977 CB THR A 72 -4.676 -1.480 -8.047 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.341 -1.420 -8.568 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.417 -0.193 -8.365 1.00 0.00 C ATOM 0 H THR A 72 -2.628 -1.264 -6.260 1.00 0.00 H new ATOM 0 HA THR A 72 -5.569 -1.347 -6.097 1.00 0.00 H new ATOM 0 HB THR A 72 -5.205 -2.307 -8.521 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.757 -2.004 -8.040 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.422 -0.033 -9.443 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.443 -0.265 -8.004 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.918 0.644 -7.877 1.00 0.00 H new ATOM 987 N CYS A 73 -5.706 -3.828 -5.960 1.00 0.00 N ATOM 988 CA CYS A 73 -5.797 -5.252 -5.688 1.00 0.00 C ATOM 989 C CYS A 73 -7.247 -5.692 -5.801 1.00 0.00 C ATOM 990 O CYS A 73 -8.150 -4.855 -5.843 1.00 0.00 O ATOM 991 CB CYS A 73 -5.256 -5.566 -4.289 1.00 0.00 C ATOM 992 SG CYS A 73 -6.100 -4.688 -2.950 1.00 0.00 S ATOM 0 H CYS A 73 -6.596 -3.334 -5.890 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.195 -5.795 -6.416 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.338 -6.639 -4.113 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.195 -5.318 -4.258 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.571 -5.023 -1.811 1.00 0.00 H new ATOM 997 N ARG A 74 -7.480 -6.988 -5.875 1.00 0.00 N ATOM 998 CA ARG A 74 -8.838 -7.492 -5.974 1.00 0.00 C ATOM 999 C ARG A 74 -9.337 -7.964 -4.618 1.00 0.00 C ATOM 1000 O ARG A 74 -8.941 -9.027 -4.141 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.929 -8.628 -6.991 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.329 -9.208 -7.121 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.336 -10.518 -7.887 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.700 -10.971 -8.169 1.00 0.00 N ATOM 1005 CZ ARG A 74 -12.126 -12.228 -8.024 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.326 -13.160 -7.516 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.366 -12.550 -8.372 1.00 0.00 N ATOM 0 H ARG A 74 -6.755 -7.706 -5.869 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.472 -6.673 -6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.603 -8.262 -7.965 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.240 -9.421 -6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.748 -9.367 -6.128 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.973 -8.489 -7.627 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.792 -10.395 -8.824 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.811 -11.280 -7.311 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.371 -10.278 -8.499 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.377 -12.918 -7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.662 -14.117 -7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.991 -11.838 -8.749 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.694 -13.510 -8.262 1.00 0.00 H new ATOM 1018 N PRO A 75 -10.188 -7.163 -3.971 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.766 -7.512 -2.675 1.00 0.00 C ATOM 1020 C PRO A 75 -11.709 -8.685 -2.824 1.00 0.00 C ATOM 1021 O PRO A 75 -12.676 -8.599 -3.569 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.541 -6.256 -2.277 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.843 -5.576 -3.565 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.672 -5.864 -4.459 1.00 0.00 C ATOM 0 HA PRO A 75 -10.018 -7.802 -1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.454 -6.508 -1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.950 -5.617 -1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.769 -5.953 -3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.971 -4.503 -3.421 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.968 -5.912 -5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.906 -5.093 -4.379 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.419 -9.775 -2.141 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.241 -10.969 -2.229 1.00 0.00 C ATOM 1031 C LYS A 76 -12.816 -11.356 -0.876 1.00 0.00 C ATOM 1032 O LYS A 76 -12.141 -11.252 0.148 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.416 -12.122 -2.805 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.043 -12.267 -2.155 1.00 0.00 C ATOM 1035 CD LYS A 76 -9.953 -13.471 -1.228 1.00 0.00 C ATOM 1036 CE LYS A 76 -9.482 -14.709 -1.975 1.00 0.00 C ATOM 1037 NZ LYS A 76 -9.108 -15.809 -1.049 1.00 0.00 N ATOM 0 H LYS A 76 -10.617 -9.860 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.080 -10.755 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.969 -13.053 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.288 -11.968 -3.877 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.285 -12.356 -2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.816 -11.362 -1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.265 -13.253 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.929 -13.662 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.272 -15.051 -2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.625 -14.452 -2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.793 -16.634 -1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.337 -15.492 -0.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.932 -16.072 -0.472 1.00 0.00 H new ATOM 1047 N THR A 77 -14.070 -11.799 -0.875 1.00 0.00 N ATOM 1048 CA THR A 77 -14.709 -12.222 0.354 1.00 0.00 C ATOM 1049 C THR A 77 -14.112 -13.548 0.779 1.00 0.00 C ATOM 1050 O THR A 77 -13.934 -14.447 -0.051 1.00 0.00 O ATOM 1051 CB THR A 77 -16.243 -12.370 0.213 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.821 -12.653 1.492 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.614 -13.486 -0.755 1.00 0.00 C ATOM 0 H THR A 77 -14.655 -11.872 -1.707 1.00 0.00 H new ATOM 0 HA THR A 77 -14.532 -11.450 1.103 1.00 0.00 H new ATOM 0 HB THR A 77 -16.630 -11.430 -0.180 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.792 -12.744 1.399 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.699 -13.559 -0.827 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.199 -13.267 -1.739 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.210 -14.431 -0.393 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.806 -13.656 2.064 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.204 -14.859 2.622 1.00 0.00 C ATOM 1063 C VAL A 78 -14.205 -16.005 2.726 1.00 0.00 C ATOM 1064 O VAL A 78 -13.846 -17.116 3.112 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.597 -14.587 4.013 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -11.461 -13.582 3.905 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -13.662 -14.086 4.979 1.00 0.00 C ATOM 0 H VAL A 78 -13.967 -12.916 2.747 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.412 -15.153 1.934 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.199 -15.524 4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.042 -13.399 4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.685 -13.979 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.840 -12.647 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.211 -13.901 5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.093 -13.161 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.445 -14.837 5.079 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.460 -15.732 2.393 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.493 -16.759 2.443 1.00 0.00 C ATOM 1079 C ASP A 79 -16.247 -17.796 1.353 1.00 0.00 C ATOM 1080 O ASP A 79 -16.527 -18.982 1.528 1.00 0.00 O ATOM 1081 CB ASP A 79 -17.882 -16.140 2.276 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.994 -17.159 2.444 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.348 -17.471 3.601 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -19.513 -17.656 1.426 1.00 0.00 O ATOM 0 H ASP A 79 -15.786 -14.815 2.087 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.450 -17.246 3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.011 -15.342 3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.957 -15.684 1.289 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.703 -17.342 0.231 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.421 -18.241 -0.872 1.00 0.00 C ATOM 1090 C GLY A 80 -14.256 -17.774 -1.724 1.00 0.00 C ATOM 1091 O GLY A 80 -13.649 -18.565 -2.442 1.00 0.00 O ATOM 0 H GLY A 80 -15.452 -16.367 0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.204 -19.234 -0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.309 -18.333 -1.497 1.00 0.00 H new ATOM 1095 N GLY A 81 -13.937 -16.490 -1.639 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.841 -15.946 -2.415 1.00 0.00 C ATOM 1097 C GLY A 81 -13.321 -15.289 -3.685 1.00 0.00 C ATOM 1098 O GLY A 81 -12.557 -15.107 -4.631 1.00 0.00 O ATOM 0 H GLY A 81 -14.419 -15.814 -1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.297 -15.218 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.140 -16.744 -2.662 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.590 -14.928 -3.699 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.197 -14.303 -4.871 1.00 0.00 C ATOM 1104 C PHE A 82 -15.540 -12.858 -4.561 1.00 0.00 C ATOM 1105 O PHE A 82 -15.935 -12.566 -3.439 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.450 -15.080 -5.303 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.420 -15.356 -4.185 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -17.286 -16.491 -3.400 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.462 -14.482 -3.917 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -18.170 -16.747 -2.369 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.348 -14.734 -2.887 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.200 -15.868 -2.111 1.00 0.00 C ATOM 0 H PHE A 82 -15.227 -15.055 -2.912 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.485 -14.324 -5.696 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.962 -14.517 -6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.142 -16.028 -5.744 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.481 -17.184 -3.597 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.583 -13.594 -4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.054 -17.635 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -20.156 -14.045 -2.688 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.890 -16.065 -1.304 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.381 -11.961 -5.535 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.689 -10.547 -5.327 1.00 0.00 C ATOM 1123 C ARG A 83 -15.313 -9.701 -6.545 1.00 0.00 C ATOM 1124 O ARG A 83 -15.237 -10.208 -7.667 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.940 -10.032 -4.112 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.748 -9.149 -3.183 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.657 -9.976 -2.295 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.929 -10.271 -2.941 1.00 0.00 N ATOM 1129 CZ ARG A 83 -19.121 -10.067 -2.380 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.215 -9.461 -1.195 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.223 -10.437 -3.018 1.00 0.00 N ATOM 0 H ARG A 83 -15.043 -12.187 -6.470 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.764 -10.462 -5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.569 -10.886 -3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.069 -9.473 -4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.075 -8.554 -2.566 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.345 -8.450 -3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.158 -10.909 -2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.839 -9.440 -1.363 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.906 -10.659 -3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.372 -9.151 -0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -20.130 -9.308 -0.772 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.158 -10.877 -3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.136 -10.282 -2.591 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.045 -8.419 -6.295 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.696 -7.462 -7.342 1.00 0.00 C ATOM 1144 C GLU A 84 -13.256 -6.990 -7.175 1.00 0.00 C ATOM 1145 O GLU A 84 -12.582 -7.372 -6.226 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.629 -6.251 -7.255 1.00 0.00 C ATOM 1147 CG GLU A 84 -17.090 -6.577 -7.491 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.389 -6.876 -8.945 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.155 -8.017 -9.393 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -17.864 -5.966 -9.652 1.00 0.00 O ATOM 0 H GLU A 84 -15.064 -8.015 -5.358 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.802 -7.950 -8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.524 -5.795 -6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.311 -5.508 -7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.370 -7.436 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.704 -5.739 -7.162 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.795 -6.159 -8.100 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.443 -5.611 -8.045 1.00 0.00 C ATOM 1157 C ARG A 85 -11.536 -4.122 -7.734 1.00 0.00 C ATOM 1158 O ARG A 85 -12.521 -3.481 -8.099 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.727 -5.832 -9.378 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.221 -5.636 -9.337 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.624 -5.851 -10.719 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.167 -5.929 -10.703 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.441 -6.278 -11.769 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -7.037 -6.548 -12.925 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.123 -6.374 -11.679 1.00 0.00 N ATOM 0 H ARG A 85 -13.340 -5.847 -8.903 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.870 -6.115 -7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.937 -6.844 -9.723 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.147 -5.150 -10.117 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.987 -4.631 -8.985 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.776 -6.334 -8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.027 -6.770 -11.144 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.932 -5.035 -11.373 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.679 -5.706 -9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.052 -6.489 -13.001 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.479 -6.814 -13.736 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.657 -6.181 -10.792 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.574 -6.641 -12.496 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.522 -3.571 -7.077 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.539 -2.152 -6.697 1.00 0.00 C ATOM 1178 C GLN A 86 -9.141 -1.580 -6.479 1.00 0.00 C ATOM 1179 O GLN A 86 -8.130 -2.246 -6.706 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.355 -1.960 -5.414 1.00 0.00 C ATOM 1181 CG GLN A 86 -12.830 -1.690 -5.648 1.00 0.00 C ATOM 1182 CD GLN A 86 -13.632 -1.730 -4.366 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -14.158 -2.896 -4.047 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -13.780 -0.724 -3.672 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.681 -4.075 -6.795 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.995 -1.615 -7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.254 -2.852 -4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.931 -1.131 -4.848 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.948 -0.713 -6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.226 -2.429 -6.345 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.355 0.159 -3.956 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.327 -0.773 -2.813 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.114 -0.327 -6.038 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.873 0.368 -5.758 1.00 0.00 C ATOM 1193 C GLY A 87 -8.059 1.397 -4.658 1.00 0.00 C ATOM 1194 O GLY A 87 -9.095 2.058 -4.593 1.00 0.00 O ATOM 0 H GLY A 87 -9.951 0.230 -5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.109 -0.351 -5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.515 0.859 -6.663 1.00 0.00 H new ATOM 1198 N ILE A 88 -7.058 1.547 -3.806 1.00 0.00 N ATOM 1199 CA ILE A 88 -7.128 2.481 -2.693 1.00 0.00 C ATOM 1200 C ILE A 88 -5.961 3.466 -2.742 1.00 0.00 C ATOM 1201 O ILE A 88 -4.845 3.111 -3.127 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.131 1.731 -1.336 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -7.199 2.716 -0.167 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.907 0.832 -1.211 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.308 2.041 1.182 1.00 0.00 C ATOM 0 H ILE A 88 -6.181 1.030 -3.865 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.062 3.036 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.021 1.102 -1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.309 3.345 -0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.056 3.374 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.931 0.316 -0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.910 0.098 -2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.003 1.437 -1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.352 2.798 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.213 1.434 1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.438 1.404 1.341 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.239 4.706 -2.376 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.229 5.750 -2.368 1.00 0.00 C ATOM 1218 C ASP A 89 -4.355 5.640 -1.129 1.00 0.00 C ATOM 1219 O ASP A 89 -4.855 5.482 -0.014 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.882 7.135 -2.413 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.459 7.485 -3.771 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -7.380 6.780 -4.238 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -6.016 8.490 -4.366 1.00 0.00 O ATOM 0 H ASP A 89 -7.164 5.016 -2.078 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.608 5.622 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.676 7.179 -1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.142 7.886 -2.136 1.00 0.00 H new ATOM 1227 N LEU A 90 -3.051 5.732 -1.331 1.00 0.00 N ATOM 1228 CA LEU A 90 -2.097 5.632 -0.237 1.00 0.00 C ATOM 1229 C LEU A 90 -1.505 6.985 0.102 1.00 0.00 C ATOM 1230 O LEU A 90 -0.315 7.109 0.387 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.984 4.676 -0.601 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.439 3.284 -0.986 1.00 0.00 C ATOM 1233 CD1 LEU A 90 -0.229 2.450 -1.306 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.265 2.658 0.126 1.00 0.00 C ATOM 0 H LEU A 90 -2.626 5.877 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.632 5.258 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.418 5.100 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.301 4.598 0.245 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.079 3.338 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.544 1.444 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.316 2.903 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.419 2.398 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.580 1.659 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.664 2.592 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.144 3.274 0.317 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.351 7.990 0.101 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.926 9.351 0.418 1.00 0.00 C ATOM 1247 C ASN A 91 -1.724 9.502 1.918 1.00 0.00 C ATOM 1248 O ASN A 91 -1.400 10.578 2.418 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.945 10.374 -0.092 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.767 10.692 -1.566 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.420 9.925 -2.424 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -2.051 11.628 -1.931 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.343 7.898 -0.116 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.977 9.540 -0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.952 9.992 0.074 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.853 11.293 0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.563 12.197 -1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.947 11.833 -2.925 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.920 8.404 2.629 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.756 8.375 4.069 1.00 0.00 C ATOM 1260 C ARG A 92 -0.356 7.919 4.443 1.00 0.00 C ATOM 1261 O ARG A 92 0.021 7.937 5.611 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.782 7.444 4.703 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.205 7.950 4.615 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.087 7.250 5.631 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.809 7.697 6.995 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.736 7.815 7.945 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -7.012 7.586 7.671 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.383 8.188 9.163 1.00 0.00 N ATOM 0 H ARG A 92 -2.197 7.510 2.223 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.909 9.387 4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.723 6.470 4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.524 7.295 5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.225 9.026 4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.594 7.782 3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.134 7.438 5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.934 6.173 5.564 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.846 7.933 7.234 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.291 7.317 6.727 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.716 7.678 8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.404 8.384 9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.089 8.280 9.893 1.00 0.00 H new ATOM 1279 N ILE A 93 0.411 7.497 3.453 1.00 0.00 N ATOM 1280 CA ILE A 93 1.768 7.032 3.691 1.00 0.00 C ATOM 1281 C ILE A 93 2.753 8.129 3.297 1.00 0.00 C ATOM 1282 O ILE A 93 2.955 8.401 2.113 1.00 0.00 O ATOM 1283 CB ILE A 93 2.063 5.727 2.907 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.902 4.739 3.060 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.353 5.081 3.396 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.523 4.459 4.504 1.00 0.00 C ATOM 0 H ILE A 93 0.118 7.466 2.476 1.00 0.00 H new ATOM 0 HA ILE A 93 1.880 6.807 4.752 1.00 0.00 H new ATOM 0 HB ILE A 93 2.178 5.985 1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.031 5.132 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.170 3.800 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.539 4.167 2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.183 5.772 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.261 4.841 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.306 3.751 4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.379 4.036 5.029 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.223 5.388 4.988 1.00 0.00 H new ATOM 1297 N GLN A 94 3.343 8.770 4.296 1.00 0.00 N ATOM 1298 CA GLN A 94 4.273 9.868 4.067 1.00 0.00 C ATOM 1299 C GLN A 94 5.656 9.538 4.622 1.00 0.00 C ATOM 1300 O GLN A 94 5.786 8.801 5.597 1.00 0.00 O ATOM 1301 CB GLN A 94 3.734 11.134 4.742 1.00 0.00 C ATOM 1302 CG GLN A 94 4.539 12.402 4.471 1.00 0.00 C ATOM 1303 CD GLN A 94 4.257 13.008 3.110 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.338 13.809 2.962 1.00 0.00 O ATOM 1305 NE2 GLN A 94 5.059 12.665 2.112 1.00 0.00 N ATOM 0 H GLN A 94 3.193 8.547 5.280 1.00 0.00 H new ATOM 0 HA GLN A 94 4.367 10.029 2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.708 11.295 4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.699 10.967 5.819 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.316 13.138 5.243 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.602 12.173 4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.813 11.996 2.270 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.922 13.070 1.186 1.00 0.00 H new ATOM 1312 N ASN A 95 6.682 10.080 3.985 1.00 0.00 N ATOM 1313 CA ASN A 95 8.058 9.877 4.411 1.00 0.00 C ATOM 1314 C ASN A 95 8.548 11.076 5.221 1.00 0.00 C ATOM 1315 O ASN A 95 8.588 12.204 4.732 1.00 0.00 O ATOM 1316 CB ASN A 95 8.985 9.640 3.203 1.00 0.00 C ATOM 1317 CG ASN A 95 8.907 10.734 2.144 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.842 11.305 1.890 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.036 11.037 1.518 1.00 0.00 N ATOM 0 H ASN A 95 6.585 10.672 3.160 1.00 0.00 H new ATOM 0 HA ASN A 95 8.085 8.988 5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 95 10.013 9.561 3.556 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.731 8.684 2.744 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.043 11.762 0.801 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.898 10.545 1.753 1.00 0.00 H new ATOM 1325 N VAL A 96 8.888 10.824 6.474 1.00 0.00 N ATOM 1326 CA VAL A 96 9.389 11.861 7.363 1.00 0.00 C ATOM 1327 C VAL A 96 10.898 11.716 7.514 1.00 0.00 C ATOM 1328 O VAL A 96 11.381 10.859 8.263 1.00 0.00 O ATOM 1329 CB VAL A 96 8.719 11.794 8.754 1.00 0.00 C ATOM 1330 CG1 VAL A 96 9.204 12.928 9.646 1.00 0.00 C ATOM 1331 CG2 VAL A 96 7.202 11.825 8.622 1.00 0.00 C ATOM 0 H VAL A 96 8.825 9.901 6.903 1.00 0.00 H new ATOM 0 HA VAL A 96 9.147 12.828 6.922 1.00 0.00 H new ATOM 0 HB VAL A 96 9.003 10.851 9.221 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.718 12.859 10.619 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.284 12.854 9.774 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.958 13.884 9.185 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.750 11.777 9.612 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.898 12.748 8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.871 10.972 8.030 1.00 0.00 H new ATOM 1341 N ASN A 97 11.632 12.546 6.780 1.00 0.00 N ATOM 1342 CA ASN A 97 13.095 12.534 6.788 1.00 0.00 C ATOM 1343 C ASN A 97 13.627 11.174 6.370 1.00 0.00 C ATOM 1344 O ASN A 97 14.554 10.637 6.974 1.00 0.00 O ATOM 1345 CB ASN A 97 13.653 12.939 8.157 1.00 0.00 C ATOM 1346 CG ASN A 97 13.929 14.426 8.249 1.00 0.00 C ATOM 1347 OD1 ASN A 97 15.040 14.879 7.974 1.00 0.00 O ATOM 1348 ND2 ASN A 97 12.920 15.196 8.621 1.00 0.00 N ATOM 0 H ASN A 97 11.230 13.249 6.160 1.00 0.00 H new ATOM 0 HA ASN A 97 13.434 13.273 6.062 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.944 12.655 8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.574 12.388 8.349 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.047 16.206 8.689 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.015 14.780 8.840 1.00 0.00 H new ATOM 1354 N GLY A 98 13.022 10.620 5.333 1.00 0.00 N ATOM 1355 CA GLY A 98 13.438 9.333 4.827 1.00 0.00 C ATOM 1356 C GLY A 98 12.715 8.166 5.474 1.00 0.00 C ATOM 1357 O GLY A 98 12.623 7.092 4.884 1.00 0.00 O ATOM 0 H GLY A 98 12.243 11.044 4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.269 9.303 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.510 9.219 4.985 1.00 0.00 H new ATOM 1361 N ARG A 99 12.195 8.369 6.676 1.00 0.00 N ATOM 1362 CA ARG A 99 11.495 7.304 7.386 1.00 0.00 C ATOM 1363 C ARG A 99 10.029 7.270 6.987 1.00 0.00 C ATOM 1364 O ARG A 99 9.320 8.263 7.118 1.00 0.00 O ATOM 1365 CB ARG A 99 11.613 7.473 8.907 1.00 0.00 C ATOM 1366 CG ARG A 99 13.024 7.286 9.451 1.00 0.00 C ATOM 1367 CD ARG A 99 13.896 8.510 9.213 1.00 0.00 C ATOM 1368 NE ARG A 99 15.264 8.306 9.689 1.00 0.00 N ATOM 1369 CZ ARG A 99 15.898 9.130 10.521 1.00 0.00 C ATOM 1370 NH1 ARG A 99 15.277 10.200 11.001 1.00 0.00 N ATOM 1371 NH2 ARG A 99 17.151 8.874 10.883 1.00 0.00 N ATOM 0 H ARG A 99 12.243 9.255 7.179 1.00 0.00 H new ATOM 0 HA ARG A 99 11.965 6.361 7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.260 8.468 9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.951 6.756 9.393 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.975 7.078 10.520 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.482 6.417 8.978 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.913 8.742 8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.460 9.371 9.720 1.00 0.00 H new ATOM 0 HE ARG A 99 15.765 7.479 9.363 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.312 10.393 10.733 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.765 10.830 11.638 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.627 8.046 10.523 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.637 9.505 11.520 1.00 0.00 H new ATOM 1382 N LEU A 100 9.576 6.126 6.503 1.00 0.00 N ATOM 1383 CA LEU A 100 8.193 5.979 6.076 1.00 0.00 C ATOM 1384 C LEU A 100 7.280 5.853 7.288 1.00 0.00 C ATOM 1385 O LEU A 100 7.463 4.968 8.123 1.00 0.00 O ATOM 1386 CB LEU A 100 8.047 4.759 5.168 1.00 0.00 C ATOM 1387 CG LEU A 100 7.125 4.967 3.968 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.613 6.135 3.136 1.00 0.00 C ATOM 1389 CD2 LEU A 100 7.057 3.707 3.121 1.00 0.00 C ATOM 0 H LEU A 100 10.144 5.286 6.396 1.00 0.00 H new ATOM 0 HA LEU A 100 7.903 6.866 5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.034 4.472 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.669 3.925 5.760 1.00 0.00 H new ATOM 0 HG LEU A 100 6.122 5.188 4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.950 6.276 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.618 7.039 3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.623 5.932 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.395 3.875 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.055 3.457 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.672 2.884 3.723 1.00 0.00 H new ATOM 1400 N VAL A 101 6.314 6.756 7.392 1.00 0.00 N ATOM 1401 CA VAL A 101 5.383 6.760 8.511 1.00 0.00 C ATOM 1402 C VAL A 101 3.939 6.823 8.019 1.00 0.00 C ATOM 1403 O VAL A 101 3.627 7.540 7.067 1.00 0.00 O ATOM 1404 CB VAL A 101 5.626 7.971 9.447 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.767 7.870 10.697 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.096 8.099 9.821 1.00 0.00 C ATOM 0 H VAL A 101 6.155 7.498 6.711 1.00 0.00 H new ATOM 0 HA VAL A 101 5.552 5.834 9.061 1.00 0.00 H new ATOM 0 HB VAL A 101 5.339 8.870 8.901 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.955 8.731 11.338 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.714 7.851 10.415 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.015 6.955 11.236 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.231 8.958 10.478 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.421 7.194 10.335 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.691 8.236 8.918 1.00 0.00 H new ATOM 1416 N PHE A 102 3.068 6.058 8.656 1.00 0.00 N ATOM 1417 CA PHE A 102 1.660 6.068 8.302 1.00 0.00 C ATOM 1418 C PHE A 102 0.967 7.197 9.046 1.00 0.00 C ATOM 1419 O PHE A 102 1.157 7.367 10.253 1.00 0.00 O ATOM 1420 CB PHE A 102 0.992 4.727 8.631 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.506 4.814 8.778 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.317 5.124 7.695 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.098 4.604 10.012 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.685 5.217 7.846 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.465 4.699 10.167 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.260 5.005 9.081 1.00 0.00 C ATOM 0 H PHE A 102 3.311 5.425 9.418 1.00 0.00 H new ATOM 0 HA PHE A 102 1.571 6.225 7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.230 4.011 7.845 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.417 4.337 9.556 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.873 5.294 6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.481 4.363 10.865 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.306 5.456 6.996 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.913 4.534 11.136 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.331 5.078 9.199 1.00 0.00 H new ATOM 1435 N GLN A 103 0.189 7.976 8.326 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.524 9.086 8.922 1.00 0.00 C ATOM 1437 C GLN A 103 -1.973 9.096 8.460 1.00 0.00 C ATOM 1438 O GLN A 103 -2.798 8.435 9.114 1.00 0.00 O ATOM 1439 CB GLN A 103 0.165 10.396 8.561 1.00 0.00 C ATOM 1440 CG GLN A 103 -0.136 11.524 9.528 1.00 0.00 C ATOM 1441 CD GLN A 103 0.821 12.684 9.364 1.00 0.00 C ATOM 1442 OE1 GLN A 103 0.545 13.642 8.639 1.00 0.00 O ATOM 1443 NE2 GLN A 103 1.968 12.585 10.014 1.00 0.00 N ATOM 1444 OXT GLN A 103 -2.278 9.747 7.438 1.00 0.00 O ATOM 0 H GLN A 103 0.034 7.861 7.324 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.515 8.973 10.006 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.242 10.234 8.528 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.143 10.695 7.559 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.157 11.872 9.372 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.080 11.150 10.550 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.152 11.773 10.603 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.669 13.321 9.927 1.00 0.00 H new