USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -75:sc= 0.145 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.9!) USER MOD Single : A 29 SER OG : rot 180:sc= -0.233 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot -160:sc= -0.955 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 91:sc= 0.444 USER MOD Single : A 56 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.147 -0.771 -2.978 1.00 0.00 N ATOM 2 CA GLY A 1 2.120 -0.165 -1.660 1.00 0.00 C ATOM 3 C GLY A 1 3.412 0.556 -1.328 1.00 0.00 C ATOM 4 O GLY A 1 4.308 -0.015 -0.707 1.00 0.00 O ATOM 0 H1 GLY A 1 1.242 -1.251 -3.158 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.296 -0.034 -3.696 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.922 -1.463 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.290 0.539 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.935 -0.936 -0.912 1.00 0.00 H new ATOM 8 N SER A 2 3.508 1.815 -1.743 1.00 0.00 N ATOM 9 CA SER A 2 4.702 2.614 -1.491 1.00 0.00 C ATOM 10 C SER A 2 4.890 2.852 0.004 1.00 0.00 C ATOM 11 O SER A 2 4.357 3.810 0.563 1.00 0.00 O ATOM 12 CB SER A 2 4.610 3.953 -2.225 1.00 0.00 C ATOM 13 OG SER A 2 3.326 4.134 -2.797 1.00 0.00 O ATOM 0 H SER A 2 2.774 2.304 -2.255 1.00 0.00 H new ATOM 0 HA SER A 2 5.564 2.062 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.820 4.767 -1.531 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.369 3.996 -3.006 1.00 0.00 H new ATOM 0 HG SER A 2 3.241 3.572 -3.595 1.00 0.00 H new ATOM 19 N MET A 3 5.653 1.972 0.646 1.00 0.00 N ATOM 20 CA MET A 3 5.913 2.087 2.076 1.00 0.00 C ATOM 21 C MET A 3 7.252 2.771 2.332 1.00 0.00 C ATOM 22 O MET A 3 7.328 3.744 3.082 1.00 0.00 O ATOM 23 CB MET A 3 5.900 0.704 2.731 1.00 0.00 C ATOM 24 CG MET A 3 5.001 0.620 3.954 1.00 0.00 C ATOM 25 SD MET A 3 3.424 -0.180 3.603 1.00 0.00 S ATOM 26 CE MET A 3 2.279 1.010 4.298 1.00 0.00 C ATOM 0 H MET A 3 6.101 1.173 0.198 1.00 0.00 H new ATOM 0 HA MET A 3 5.124 2.697 2.516 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.572 -0.033 1.998 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.917 0.437 3.019 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.516 0.070 4.741 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.818 1.625 4.335 1.00 0.00 H new ATOM 0 HE1 MET A 3 1.257 0.656 4.159 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.480 1.129 5.363 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.402 1.970 3.796 1.00 0.00 H new ATOM 36 N GLU A 4 8.304 2.256 1.704 1.00 0.00 N ATOM 37 CA GLU A 4 9.640 2.818 1.866 1.00 0.00 C ATOM 38 C GLU A 4 9.661 4.292 1.474 1.00 0.00 C ATOM 39 O GLU A 4 10.192 5.131 2.202 1.00 0.00 O ATOM 40 CB GLU A 4 10.651 2.039 1.021 1.00 0.00 C ATOM 41 CG GLU A 4 10.254 1.914 -0.440 1.00 0.00 C ATOM 42 CD GLU A 4 11.136 0.945 -1.203 1.00 0.00 C ATOM 43 OE1 GLU A 4 11.375 -0.169 -0.693 1.00 0.00 O ATOM 44 OE2 GLU A 4 11.589 1.303 -2.311 1.00 0.00 O ATOM 0 H GLU A 4 8.257 1.451 1.079 1.00 0.00 H new ATOM 0 HA GLU A 4 9.916 2.736 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.621 2.532 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.772 1.041 1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.217 1.583 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.305 2.895 -0.912 1.00 0.00 H new ATOM 51 N ARG A 5 9.081 4.600 0.319 1.00 0.00 N ATOM 52 CA ARG A 5 9.034 5.972 -0.171 1.00 0.00 C ATOM 53 C ARG A 5 8.106 6.825 0.688 1.00 0.00 C ATOM 54 O ARG A 5 8.287 8.038 0.802 1.00 0.00 O ATOM 55 CB ARG A 5 8.568 6.000 -1.628 1.00 0.00 C ATOM 56 CG ARG A 5 8.829 7.325 -2.325 1.00 0.00 C ATOM 57 CD ARG A 5 9.671 7.139 -3.578 1.00 0.00 C ATOM 58 NE ARG A 5 9.264 8.042 -4.651 1.00 0.00 N ATOM 59 CZ ARG A 5 10.036 8.346 -5.688 1.00 0.00 C ATOM 60 NH1 ARG A 5 11.249 7.821 -5.792 1.00 0.00 N ATOM 61 NH2 ARG A 5 9.594 9.176 -6.624 1.00 0.00 N ATOM 0 H ARG A 5 8.637 3.918 -0.295 1.00 0.00 H new ATOM 0 HA ARG A 5 10.040 6.387 -0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.072 5.205 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.500 5.785 -1.663 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.880 7.792 -2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.338 8.003 -1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.720 7.311 -3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.587 6.108 -3.921 1.00 0.00 H new ATOM 0 HE ARG A 5 8.336 8.462 -4.601 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.591 7.182 -5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.840 8.056 -6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.661 9.581 -6.547 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.187 9.409 -7.420 1.00 0.00 H new ATOM 75 N LEU A 6 7.110 6.184 1.290 1.00 0.00 N ATOM 76 CA LEU A 6 6.152 6.883 2.139 1.00 0.00 C ATOM 77 C LEU A 6 6.831 7.431 3.390 1.00 0.00 C ATOM 78 O LEU A 6 6.717 8.616 3.702 1.00 0.00 O ATOM 79 CB LEU A 6 5.011 5.944 2.535 1.00 0.00 C ATOM 80 CG LEU A 6 4.141 6.402 3.706 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.667 6.227 3.376 1.00 0.00 C ATOM 82 CD2 LEU A 6 4.501 5.633 4.969 1.00 0.00 C ATOM 0 H LEU A 6 6.945 5.181 1.206 1.00 0.00 H new ATOM 0 HA LEU A 6 5.745 7.720 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.369 5.798 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.437 4.972 2.783 1.00 0.00 H new ATOM 0 HG LEU A 6 4.330 7.461 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.063 6.558 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.418 6.821 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.462 5.176 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.872 5.971 5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.341 4.567 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.548 5.809 5.216 1.00 0.00 H new ATOM 94 N ARG A 7 7.540 6.560 4.102 1.00 0.00 N ATOM 95 CA ARG A 7 8.239 6.957 5.319 1.00 0.00 C ATOM 96 C ARG A 7 9.428 7.856 4.994 1.00 0.00 C ATOM 97 O ARG A 7 9.769 8.754 5.763 1.00 0.00 O ATOM 98 CB ARG A 7 8.713 5.722 6.086 1.00 0.00 C ATOM 99 CG ARG A 7 9.946 5.067 5.484 1.00 0.00 C ATOM 100 CD ARG A 7 11.223 5.605 6.109 1.00 0.00 C ATOM 101 NE ARG A 7 12.330 4.660 5.991 1.00 0.00 N ATOM 102 CZ ARG A 7 12.400 3.520 6.670 1.00 0.00 C ATOM 103 NH1 ARG A 7 11.432 3.187 7.512 1.00 0.00 N ATOM 104 NH2 ARG A 7 13.440 2.712 6.508 1.00 0.00 N ATOM 0 H ARG A 7 7.645 5.575 3.857 1.00 0.00 H new ATOM 0 HA ARG A 7 7.542 7.517 5.942 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.929 6.005 7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 7 7.904 4.992 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.894 3.988 5.630 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.964 5.242 4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.495 6.544 5.627 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.046 5.827 7.161 1.00 0.00 H new ATOM 0 HE ARG A 7 13.092 4.888 5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.632 3.806 7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.487 2.311 8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.187 2.966 5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.492 1.837 7.030 1.00 0.00 H new ATOM 118 N ASP A 8 10.057 7.606 3.850 1.00 0.00 N ATOM 119 CA ASP A 8 11.208 8.392 3.423 1.00 0.00 C ATOM 120 C ASP A 8 10.786 9.803 3.026 1.00 0.00 C ATOM 121 O ASP A 8 11.316 10.788 3.539 1.00 0.00 O ATOM 122 CB ASP A 8 11.912 7.708 2.250 1.00 0.00 C ATOM 123 CG ASP A 8 12.568 6.401 2.650 1.00 0.00 C ATOM 124 OD1 ASP A 8 12.928 6.258 3.837 1.00 0.00 O ATOM 125 OD2 ASP A 8 12.723 5.522 1.777 1.00 0.00 O ATOM 0 H ASP A 8 9.789 6.865 3.202 1.00 0.00 H new ATOM 0 HA ASP A 8 11.900 8.462 4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.189 7.520 1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.667 8.380 1.842 1.00 0.00 H new ATOM 130 N VAL A 9 9.829 9.893 2.108 1.00 0.00 N ATOM 131 CA VAL A 9 9.335 11.183 1.642 1.00 0.00 C ATOM 132 C VAL A 9 8.685 11.965 2.777 1.00 0.00 C ATOM 133 O VAL A 9 8.898 13.170 2.916 1.00 0.00 O ATOM 134 CB VAL A 9 8.316 11.015 0.499 1.00 0.00 C ATOM 135 CG1 VAL A 9 7.690 12.354 0.141 1.00 0.00 C ATOM 136 CG2 VAL A 9 8.978 10.384 -0.716 1.00 0.00 C ATOM 0 H VAL A 9 9.380 9.087 1.672 1.00 0.00 H new ATOM 0 HA VAL A 9 10.198 11.736 1.271 1.00 0.00 H new ATOM 0 HB VAL A 9 7.522 10.349 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.973 12.216 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.179 12.761 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.469 13.046 -0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.244 10.273 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.792 11.022 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.373 9.404 -0.447 1.00 0.00 H new ATOM 146 N ARG A 10 7.892 11.272 3.587 1.00 0.00 N ATOM 147 CA ARG A 10 7.209 11.902 4.711 1.00 0.00 C ATOM 148 C ARG A 10 8.214 12.424 5.734 1.00 0.00 C ATOM 149 O ARG A 10 8.116 13.563 6.188 1.00 0.00 O ATOM 150 CB ARG A 10 6.255 10.909 5.378 1.00 0.00 C ATOM 151 CG ARG A 10 5.348 11.542 6.420 1.00 0.00 C ATOM 152 CD ARG A 10 5.036 10.573 7.549 1.00 0.00 C ATOM 153 NE ARG A 10 5.939 10.745 8.684 1.00 0.00 N ATOM 154 CZ ARG A 10 6.039 9.875 9.682 1.00 0.00 C ATOM 155 NH1 ARG A 10 5.295 8.778 9.687 1.00 0.00 N ATOM 156 NH2 ARG A 10 6.884 10.102 10.679 1.00 0.00 N ATOM 0 H ARG A 10 7.706 10.274 3.486 1.00 0.00 H new ATOM 0 HA ARG A 10 6.634 12.745 4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.640 10.438 4.611 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.839 10.118 5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.825 12.434 6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.420 11.864 5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.007 10.720 7.879 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.109 9.550 7.179 1.00 0.00 H new ATOM 0 HE ARG A 10 6.525 11.579 8.711 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.643 8.600 8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.374 8.112 10.455 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.458 10.945 10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.960 9.433 11.445 1.00 0.00 H new ATOM 170 N GLU A 11 9.178 11.581 6.092 1.00 0.00 N ATOM 171 CA GLU A 11 10.199 11.958 7.063 1.00 0.00 C ATOM 172 C GLU A 11 11.091 13.067 6.512 1.00 0.00 C ATOM 173 O GLU A 11 11.430 14.015 7.221 1.00 0.00 O ATOM 174 CB GLU A 11 11.050 10.743 7.438 1.00 0.00 C ATOM 175 CG GLU A 11 11.992 10.996 8.603 1.00 0.00 C ATOM 176 CD GLU A 11 11.257 11.185 9.916 1.00 0.00 C ATOM 177 OE1 GLU A 11 10.372 10.361 10.226 1.00 0.00 O ATOM 178 OE2 GLU A 11 11.569 12.158 10.635 1.00 0.00 O ATOM 0 H GLU A 11 9.273 10.634 5.725 1.00 0.00 H new ATOM 0 HA GLU A 11 9.696 12.330 7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.391 9.912 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.633 10.437 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.683 10.158 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.591 11.883 8.395 1.00 0.00 H new ATOM 185 N ARG A 12 11.466 12.941 5.243 1.00 0.00 N ATOM 186 CA ARG A 12 12.320 13.930 4.597 1.00 0.00 C ATOM 187 C ARG A 12 11.655 15.304 4.596 1.00 0.00 C ATOM 188 O ARG A 12 12.285 16.311 4.922 1.00 0.00 O ATOM 189 CB ARG A 12 12.636 13.504 3.162 1.00 0.00 C ATOM 190 CG ARG A 12 13.825 12.564 3.054 1.00 0.00 C ATOM 191 CD ARG A 12 14.407 12.560 1.649 1.00 0.00 C ATOM 192 NE ARG A 12 15.840 12.837 1.650 1.00 0.00 N ATOM 193 CZ ARG A 12 16.752 11.993 2.121 1.00 0.00 C ATOM 194 NH1 ARG A 12 16.380 10.826 2.627 1.00 0.00 N ATOM 195 NH2 ARG A 12 18.038 12.317 2.087 1.00 0.00 N ATOM 0 H ARG A 12 11.192 12.164 4.642 1.00 0.00 H new ATOM 0 HA ARG A 12 13.250 13.995 5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.759 13.018 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.831 14.393 2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.593 12.864 3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.517 11.554 3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.225 11.591 1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.894 13.306 1.042 1.00 0.00 H new ATOM 0 HE ARG A 12 16.159 13.727 1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.392 10.574 2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.082 10.180 2.988 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.328 13.215 1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.737 11.668 2.449 1.00 0.00 H new ATOM 209 N LEU A 13 10.379 15.337 4.227 1.00 0.00 N ATOM 210 CA LEU A 13 9.628 16.587 4.182 1.00 0.00 C ATOM 211 C LEU A 13 9.490 17.189 5.577 1.00 0.00 C ATOM 212 O LEU A 13 9.788 18.364 5.788 1.00 0.00 O ATOM 213 CB LEU A 13 8.243 16.352 3.576 1.00 0.00 C ATOM 214 CG LEU A 13 7.821 17.321 2.472 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.486 16.901 1.875 1.00 0.00 C ATOM 216 CD2 LEU A 13 7.743 18.742 3.010 1.00 0.00 C ATOM 0 H LEU A 13 9.843 14.513 3.955 1.00 0.00 H new ATOM 0 HA LEU A 13 10.177 17.290 3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.211 15.339 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.505 16.401 4.377 1.00 0.00 H new ATOM 0 HG LEU A 13 8.573 17.293 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.201 17.602 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.575 15.900 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.724 16.899 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.441 19.418 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.012 18.786 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.720 19.042 3.389 1.00 0.00 H new ATOM 228 N GLN A 14 9.038 16.375 6.525 1.00 0.00 N ATOM 229 CA GLN A 14 8.862 16.827 7.900 1.00 0.00 C ATOM 230 C GLN A 14 10.135 17.484 8.424 1.00 0.00 C ATOM 231 O GLN A 14 10.150 18.676 8.728 1.00 0.00 O ATOM 232 CB GLN A 14 8.471 15.653 8.800 1.00 0.00 C ATOM 233 CG GLN A 14 7.116 15.053 8.463 1.00 0.00 C ATOM 234 CD GLN A 14 6.006 15.584 9.349 1.00 0.00 C ATOM 235 OE1 GLN A 14 5.224 16.442 8.938 1.00 0.00 O ATOM 236 NE2 GLN A 14 5.932 15.075 10.574 1.00 0.00 N ATOM 0 H GLN A 14 8.787 15.399 6.366 1.00 0.00 H new ATOM 0 HA GLN A 14 8.062 17.567 7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.232 14.877 8.722 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.463 15.988 9.837 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.877 15.266 7.421 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.168 13.969 8.563 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.601 14.366 10.873 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.206 15.394 11.216 1.00 0.00 H new ATOM 245 N ALA A 15 11.200 16.697 8.529 1.00 0.00 N ATOM 246 CA ALA A 15 12.478 17.202 9.015 1.00 0.00 C ATOM 247 C ALA A 15 12.930 18.417 8.211 1.00 0.00 C ATOM 248 O ALA A 15 13.426 19.394 8.772 1.00 0.00 O ATOM 249 CB ALA A 15 13.534 16.108 8.959 1.00 0.00 C ATOM 0 H ALA A 15 11.203 15.707 8.284 1.00 0.00 H new ATOM 0 HA ALA A 15 12.347 17.513 10.052 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.483 16.499 9.325 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.223 15.270 9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.654 15.770 7.930 1.00 0.00 H new ATOM 255 N TRP A 16 12.755 18.349 6.897 1.00 0.00 N ATOM 256 CA TRP A 16 13.145 19.444 6.016 1.00 0.00 C ATOM 257 C TRP A 16 12.544 20.763 6.489 1.00 0.00 C ATOM 258 O TRP A 16 13.241 21.605 7.054 1.00 0.00 O ATOM 259 CB TRP A 16 12.704 19.154 4.581 1.00 0.00 C ATOM 260 CG TRP A 16 12.848 20.332 3.665 1.00 0.00 C ATOM 261 CD1 TRP A 16 11.874 20.887 2.885 1.00 0.00 C ATOM 262 CD2 TRP A 16 14.035 21.098 3.434 1.00 0.00 C ATOM 263 NE1 TRP A 16 12.385 21.952 2.183 1.00 0.00 N ATOM 264 CE2 TRP A 16 13.708 22.102 2.502 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.342 21.034 3.924 1.00 0.00 C ATOM 266 CZ2 TRP A 16 14.642 23.033 2.053 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.268 21.957 3.477 1.00 0.00 C ATOM 268 CH2 TRP A 16 15.914 22.947 2.549 1.00 0.00 C ATOM 0 H TRP A 16 12.346 17.547 6.417 1.00 0.00 H new ATOM 0 HA TRP A 16 14.231 19.530 6.044 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.292 18.324 4.189 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.663 18.833 4.587 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.853 20.540 2.828 1.00 0.00 H new ATOM 0 HE1 TRP A 16 11.863 22.536 1.530 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.624 20.276 4.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.371 23.796 1.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.281 21.915 3.848 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.660 23.655 2.220 1.00 0.00 H new ATOM 279 N GLU A 17 11.247 20.936 6.253 1.00 0.00 N ATOM 280 CA GLU A 17 10.554 22.154 6.655 1.00 0.00 C ATOM 281 C GLU A 17 10.811 22.466 8.127 1.00 0.00 C ATOM 282 O GLU A 17 10.830 23.629 8.532 1.00 0.00 O ATOM 283 CB GLU A 17 9.051 22.018 6.406 1.00 0.00 C ATOM 284 CG GLU A 17 8.379 20.981 7.290 1.00 0.00 C ATOM 285 CD GLU A 17 6.867 21.006 7.174 1.00 0.00 C ATOM 286 OE1 GLU A 17 6.318 22.065 6.803 1.00 0.00 O ATOM 287 OE2 GLU A 17 6.234 19.967 7.454 1.00 0.00 O ATOM 0 H GLU A 17 10.656 20.249 5.786 1.00 0.00 H new ATOM 0 HA GLU A 17 10.941 22.977 6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.575 22.985 6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.887 21.754 5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.744 19.989 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.663 21.155 8.328 1.00 0.00 H new ATOM 294 N ARG A 18 11.007 21.420 8.922 1.00 0.00 N ATOM 295 CA ARG A 18 11.260 21.581 10.348 1.00 0.00 C ATOM 296 C ARG A 18 12.485 22.459 10.587 1.00 0.00 C ATOM 297 O ARG A 18 12.362 23.621 10.971 1.00 0.00 O ATOM 298 CB ARG A 18 11.461 20.216 11.010 1.00 0.00 C ATOM 299 CG ARG A 18 10.254 19.739 11.801 1.00 0.00 C ATOM 300 CD ARG A 18 9.970 20.649 12.986 1.00 0.00 C ATOM 301 NE ARG A 18 9.622 19.892 14.185 1.00 0.00 N ATOM 302 CZ ARG A 18 9.485 20.442 15.387 1.00 0.00 C ATOM 303 NH1 ARG A 18 9.667 21.745 15.548 1.00 0.00 N ATOM 304 NH2 ARG A 18 9.167 19.687 16.431 1.00 0.00 N ATOM 0 H ARG A 18 10.995 20.451 8.602 1.00 0.00 H new ATOM 0 HA ARG A 18 10.392 22.068 10.792 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.695 19.480 10.241 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.323 20.268 11.675 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.381 19.705 11.149 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.428 18.723 12.155 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.846 21.266 13.188 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.154 21.327 12.735 1.00 0.00 H new ATOM 0 HE ARG A 18 9.476 18.886 14.095 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.913 22.328 14.748 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.561 22.164 16.472 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.028 18.684 16.311 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.062 20.110 17.353 1.00 0.00 H new ATOM 318 N ALA A 19 13.666 21.894 10.357 1.00 0.00 N ATOM 319 CA ALA A 19 14.913 22.625 10.546 1.00 0.00 C ATOM 320 C ALA A 19 15.009 23.804 9.583 1.00 0.00 C ATOM 321 O ALA A 19 15.617 24.827 9.898 1.00 0.00 O ATOM 322 CB ALA A 19 16.103 21.695 10.364 1.00 0.00 C ATOM 0 H ALA A 19 13.785 20.932 10.039 1.00 0.00 H new ATOM 0 HA ALA A 19 14.925 23.017 11.563 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.027 22.254 10.508 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.049 20.888 11.095 1.00 0.00 H new ATOM 0 HB3 ALA A 19 16.086 21.275 9.358 1.00 0.00 H new ATOM 328 N PHE A 20 14.405 23.653 8.409 1.00 0.00 N ATOM 329 CA PHE A 20 14.424 24.705 7.399 1.00 0.00 C ATOM 330 C PHE A 20 13.860 26.007 7.960 1.00 0.00 C ATOM 331 O PHE A 20 14.577 26.999 8.098 1.00 0.00 O ATOM 332 CB PHE A 20 13.621 24.276 6.170 1.00 0.00 C ATOM 333 CG PHE A 20 13.318 25.406 5.228 1.00 0.00 C ATOM 334 CD1 PHE A 20 14.254 25.817 4.293 1.00 0.00 C ATOM 335 CD2 PHE A 20 12.096 26.057 5.277 1.00 0.00 C ATOM 336 CE1 PHE A 20 13.978 26.856 3.424 1.00 0.00 C ATOM 337 CE2 PHE A 20 11.814 27.097 4.411 1.00 0.00 C ATOM 338 CZ PHE A 20 12.756 27.497 3.484 1.00 0.00 C ATOM 0 H PHE A 20 13.897 22.813 8.134 1.00 0.00 H new ATOM 0 HA PHE A 20 15.460 24.874 7.106 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.176 23.506 5.634 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.684 23.825 6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.211 25.319 4.242 1.00 0.00 H new ATOM 0 HD2 PHE A 20 11.355 25.748 6.000 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.717 27.166 2.699 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.858 27.596 4.459 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.538 28.310 2.807 1.00 0.00 H new ATOM 348 N ARG A 21 12.570 25.996 8.281 1.00 0.00 N ATOM 349 CA ARG A 21 11.908 27.176 8.826 1.00 0.00 C ATOM 350 C ARG A 21 12.412 27.481 10.233 1.00 0.00 C ATOM 351 O ARG A 21 12.133 28.546 10.786 1.00 0.00 O ATOM 352 CB ARG A 21 10.393 26.972 8.848 1.00 0.00 C ATOM 353 CG ARG A 21 9.637 28.091 9.546 1.00 0.00 C ATOM 354 CD ARG A 21 8.311 28.380 8.860 1.00 0.00 C ATOM 355 NE ARG A 21 7.172 27.978 9.681 1.00 0.00 N ATOM 356 CZ ARG A 21 6.811 28.605 10.795 1.00 0.00 C ATOM 357 NH1 ARG A 21 7.497 29.658 11.219 1.00 0.00 N ATOM 358 NH2 ARG A 21 5.762 28.179 11.488 1.00 0.00 N ATOM 0 H ARG A 21 11.963 25.184 8.173 1.00 0.00 H new ATOM 0 HA ARG A 21 12.144 28.024 8.183 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.032 26.885 7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.169 26.028 9.346 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.458 27.817 10.586 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.248 28.994 9.555 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.241 29.445 8.640 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.274 27.854 7.906 1.00 0.00 H new ATOM 0 HE ARG A 21 6.624 27.171 9.383 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.304 29.988 10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.218 30.138 12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.232 27.369 11.165 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.486 28.661 12.343 1.00 0.00 H new ATOM 372 N ARG A 22 13.154 26.540 10.808 1.00 0.00 N ATOM 373 CA ARG A 22 13.694 26.708 12.151 1.00 0.00 C ATOM 374 C ARG A 22 14.875 27.675 12.146 1.00 0.00 C ATOM 375 O ARG A 22 14.950 28.580 12.975 1.00 0.00 O ATOM 376 CB ARG A 22 14.131 25.356 12.720 1.00 0.00 C ATOM 377 CG ARG A 22 14.741 25.449 14.110 1.00 0.00 C ATOM 378 CD ARG A 22 16.242 25.208 14.076 1.00 0.00 C ATOM 379 NE ARG A 22 16.574 23.796 14.244 1.00 0.00 N ATOM 380 CZ ARG A 22 16.527 23.163 15.411 1.00 0.00 C ATOM 381 NH1 ARG A 22 16.163 23.814 16.507 1.00 0.00 N ATOM 382 NH2 ARG A 22 16.843 21.877 15.483 1.00 0.00 N ATOM 0 H ARG A 22 13.395 25.654 10.364 1.00 0.00 H new ATOM 0 HA ARG A 22 12.909 27.124 12.782 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.269 24.690 12.755 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.856 24.904 12.044 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.539 26.433 14.532 1.00 0.00 H new ATOM 0 HG3 ARG A 22 14.269 24.718 14.766 1.00 0.00 H new ATOM 0 HD2 ARG A 22 16.645 25.565 13.128 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.720 25.789 14.864 1.00 0.00 H new ATOM 0 HE ARG A 22 16.858 23.266 13.420 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.918 24.803 16.455 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.128 23.326 17.402 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.123 21.373 14.642 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.806 21.392 16.380 1.00 0.00 H new ATOM 396 N GLN A 23 15.793 27.475 11.206 1.00 0.00 N ATOM 397 CA GLN A 23 16.969 28.328 11.094 1.00 0.00 C ATOM 398 C GLN A 23 16.753 29.419 10.050 1.00 0.00 C ATOM 399 O GLN A 23 17.153 30.567 10.246 1.00 0.00 O ATOM 400 CB GLN A 23 18.198 27.494 10.729 1.00 0.00 C ATOM 401 CG GLN A 23 18.071 26.774 9.396 1.00 0.00 C ATOM 402 CD GLN A 23 18.759 25.423 9.394 1.00 0.00 C ATOM 403 OE1 GLN A 23 18.899 24.784 10.437 1.00 0.00 O ATOM 404 NE2 GLN A 23 19.193 24.981 8.220 1.00 0.00 N ATOM 0 H GLN A 23 15.745 26.730 10.511 1.00 0.00 H new ATOM 0 HA GLN A 23 17.135 28.803 12.061 1.00 0.00 H new ATOM 0 HB2 GLN A 23 19.072 28.144 10.699 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.374 26.759 11.514 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.016 26.640 9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.498 27.396 8.609 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.056 25.544 7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.664 24.078 8.157 1.00 0.00 H new ATOM 413 N ARG A 24 16.118 29.053 8.941 1.00 0.00 N ATOM 414 CA ARG A 24 15.851 30.000 7.866 1.00 0.00 C ATOM 415 C ARG A 24 14.723 30.954 8.250 1.00 0.00 C ATOM 416 O ARG A 24 14.902 32.171 8.260 1.00 0.00 O ATOM 417 CB ARG A 24 15.487 29.256 6.580 1.00 0.00 C ATOM 418 CG ARG A 24 16.465 28.149 6.220 1.00 0.00 C ATOM 419 CD ARG A 24 17.123 28.403 4.873 1.00 0.00 C ATOM 420 NE ARG A 24 18.507 27.936 4.843 1.00 0.00 N ATOM 421 CZ ARG A 24 19.369 28.254 3.883 1.00 0.00 C ATOM 422 NH1 ARG A 24 18.992 29.035 2.881 1.00 0.00 N ATOM 423 NH2 ARG A 24 20.611 27.789 3.926 1.00 0.00 N ATOM 0 H ARG A 24 15.779 28.107 8.764 1.00 0.00 H new ATOM 0 HA ARG A 24 16.756 30.583 7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.490 28.828 6.687 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.441 29.970 5.758 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.231 28.074 6.992 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.942 27.193 6.196 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.554 27.900 4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.096 29.470 4.652 1.00 0.00 H new ATOM 0 HE ARG A 24 18.829 27.333 5.600 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.038 29.394 2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.656 29.277 2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.904 27.187 4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.273 28.033 3.189 1.00 0.00 H new ATOM 437 N GLY A 25 13.560 30.391 8.565 1.00 0.00 N ATOM 438 CA GLY A 25 12.421 31.206 8.944 1.00 0.00 C ATOM 439 C GLY A 25 11.903 32.049 7.796 1.00 0.00 C ATOM 440 O GLY A 25 11.493 33.193 7.992 1.00 0.00 O ATOM 0 H GLY A 25 13.387 29.386 8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.621 30.560 9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.704 31.858 9.771 1.00 0.00 H new ATOM 444 N ARG A 26 11.921 31.483 6.593 1.00 0.00 N ATOM 445 CA ARG A 26 11.453 32.192 5.408 1.00 0.00 C ATOM 446 C ARG A 26 11.662 31.350 4.153 1.00 0.00 C ATOM 447 O ARG A 26 11.978 30.163 4.235 1.00 0.00 O ATOM 448 CB ARG A 26 12.182 33.529 5.265 1.00 0.00 C ATOM 449 CG ARG A 26 11.249 34.724 5.158 1.00 0.00 C ATOM 450 CD ARG A 26 12.021 36.017 4.951 1.00 0.00 C ATOM 451 NE ARG A 26 11.715 36.638 3.666 1.00 0.00 N ATOM 452 CZ ARG A 26 12.201 37.814 3.283 1.00 0.00 C ATOM 453 NH1 ARG A 26 13.013 38.491 4.083 1.00 0.00 N ATOM 454 NH2 ARG A 26 11.876 38.313 2.097 1.00 0.00 N ATOM 0 H ARG A 26 12.255 30.536 6.414 1.00 0.00 H new ATOM 0 HA ARG A 26 10.386 32.379 5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.840 33.668 6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.817 33.494 4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.558 34.575 4.328 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.647 34.799 6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.784 36.713 5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.090 35.814 5.010 1.00 0.00 H new ATOM 0 HE ARG A 26 11.094 36.142 3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.266 38.109 4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.385 39.393 3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.253 37.794 1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.249 39.216 1.804 1.00 0.00 H new ATOM 468 N ARG A 27 11.482 31.972 2.992 1.00 0.00 N ATOM 469 CA ARG A 27 11.649 31.280 1.720 1.00 0.00 C ATOM 470 C ARG A 27 13.067 30.735 1.580 1.00 0.00 C ATOM 471 O ARG A 27 14.031 31.305 2.091 1.00 0.00 O ATOM 472 CB ARG A 27 11.337 32.223 0.557 1.00 0.00 C ATOM 473 CG ARG A 27 10.169 31.765 -0.301 1.00 0.00 C ATOM 474 CD ARG A 27 10.549 31.706 -1.773 1.00 0.00 C ATOM 475 NE ARG A 27 9.391 31.454 -2.627 1.00 0.00 N ATOM 476 CZ ARG A 27 8.464 32.366 -2.896 1.00 0.00 C ATOM 477 NH1 ARG A 27 8.558 33.584 -2.380 1.00 0.00 N ATOM 478 NH2 ARG A 27 7.440 32.062 -3.682 1.00 0.00 N ATOM 0 H ARG A 27 11.220 32.954 2.906 1.00 0.00 H new ATOM 0 HA ARG A 27 10.952 30.442 1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.119 33.215 0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.223 32.318 -0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.837 30.781 0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.329 32.447 -0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.017 32.646 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.290 30.921 -1.925 1.00 0.00 H new ATOM 0 HE ARG A 27 9.289 30.527 -3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.344 33.822 -1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.845 34.283 -2.588 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.364 31.126 -4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.729 32.764 -3.888 1.00 0.00 H new ATOM 492 N PRO A 28 13.200 29.604 0.871 1.00 0.00 N ATOM 493 CA PRO A 28 14.496 28.957 0.647 1.00 0.00 C ATOM 494 C PRO A 28 15.392 29.762 -0.287 1.00 0.00 C ATOM 495 O PRO A 28 14.940 30.706 -0.935 1.00 0.00 O ATOM 496 CB PRO A 28 14.118 27.620 0.005 1.00 0.00 C ATOM 497 CG PRO A 28 12.798 27.868 -0.639 1.00 0.00 C ATOM 498 CD PRO A 28 12.094 28.870 0.233 1.00 0.00 C ATOM 0 HA PRO A 28 15.066 28.856 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.863 27.308 -0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 28 14.052 26.828 0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.924 28.252 -1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 28 12.222 26.946 -0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.456 29.533 -0.351 1.00 0.00 H new ATOM 0 HD3 PRO A 28 11.457 28.383 0.971 1.00 0.00 H new ATOM 506 N SER A 29 16.665 29.384 -0.350 1.00 0.00 N ATOM 507 CA SER A 29 17.626 30.074 -1.203 1.00 0.00 C ATOM 508 C SER A 29 18.292 29.100 -2.170 1.00 0.00 C ATOM 509 O SER A 29 18.304 27.891 -1.938 1.00 0.00 O ATOM 510 CB SER A 29 18.688 30.771 -0.350 1.00 0.00 C ATOM 511 OG SER A 29 18.236 30.951 0.981 1.00 0.00 O ATOM 0 H SER A 29 17.055 28.604 0.179 1.00 0.00 H new ATOM 0 HA SER A 29 17.087 30.823 -1.784 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.604 30.180 -0.349 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.933 31.739 -0.788 1.00 0.00 H new ATOM 0 HG SER A 29 18.933 31.397 1.506 1.00 0.00 H new ATOM 517 N GLN A 30 18.845 29.636 -3.253 1.00 0.00 N ATOM 518 CA GLN A 30 19.512 28.814 -4.256 1.00 0.00 C ATOM 519 C GLN A 30 20.648 28.011 -3.632 1.00 0.00 C ATOM 520 O GLN A 30 21.082 26.999 -4.184 1.00 0.00 O ATOM 521 CB GLN A 30 20.053 29.691 -5.387 1.00 0.00 C ATOM 522 CG GLN A 30 19.730 29.161 -6.775 1.00 0.00 C ATOM 523 CD GLN A 30 20.091 30.142 -7.872 1.00 0.00 C ATOM 524 OE1 GLN A 30 21.257 30.269 -8.249 1.00 0.00 O ATOM 525 NE2 GLN A 30 19.091 30.843 -8.393 1.00 0.00 N ATOM 0 H GLN A 30 18.844 30.635 -3.458 1.00 0.00 H new ATOM 0 HA GLN A 30 18.780 28.117 -4.665 1.00 0.00 H new ATOM 0 HB2 GLN A 30 19.641 30.695 -5.286 1.00 0.00 H new ATOM 0 HB3 GLN A 30 21.135 29.778 -5.283 1.00 0.00 H new ATOM 0 HG2 GLN A 30 20.267 28.227 -6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.666 28.931 -6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.140 30.706 -8.051 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.274 31.518 -9.135 1.00 0.00 H new ATOM 534 N ASP A 31 21.126 28.467 -2.480 1.00 0.00 N ATOM 535 CA ASP A 31 22.212 27.790 -1.781 1.00 0.00 C ATOM 536 C ASP A 31 21.735 26.469 -1.185 1.00 0.00 C ATOM 537 O ASP A 31 22.381 25.434 -1.350 1.00 0.00 O ATOM 538 CB ASP A 31 22.774 28.688 -0.677 1.00 0.00 C ATOM 539 CG ASP A 31 23.734 29.733 -1.213 1.00 0.00 C ATOM 540 OD1 ASP A 31 24.895 29.378 -1.502 1.00 0.00 O ATOM 541 OD2 ASP A 31 23.323 30.905 -1.342 1.00 0.00 O ATOM 0 H ASP A 31 20.779 29.303 -2.010 1.00 0.00 H new ATOM 0 HA ASP A 31 23.000 27.578 -2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 31 21.951 29.185 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 31 23.287 28.073 0.062 1.00 0.00 H new ATOM 546 N ASP A 32 20.603 26.513 -0.493 1.00 0.00 N ATOM 547 CA ASP A 32 20.039 25.320 0.128 1.00 0.00 C ATOM 548 C ASP A 32 19.258 24.495 -0.891 1.00 0.00 C ATOM 549 O ASP A 32 19.212 23.268 -0.808 1.00 0.00 O ATOM 550 CB ASP A 32 19.129 25.707 1.294 1.00 0.00 C ATOM 551 CG ASP A 32 19.545 25.050 2.596 1.00 0.00 C ATOM 552 OD1 ASP A 32 20.764 24.968 2.856 1.00 0.00 O ATOM 553 OD2 ASP A 32 18.651 24.619 3.354 1.00 0.00 O ATOM 0 H ASP A 32 20.057 27.362 -0.347 1.00 0.00 H new ATOM 0 HA ASP A 32 20.862 24.714 0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.141 26.790 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.103 25.424 1.059 1.00 0.00 H new ATOM 558 N VAL A 33 18.643 25.178 -1.851 1.00 0.00 N ATOM 559 CA VAL A 33 17.864 24.510 -2.886 1.00 0.00 C ATOM 560 C VAL A 33 18.765 23.727 -3.834 1.00 0.00 C ATOM 561 O VAL A 33 18.530 22.549 -4.098 1.00 0.00 O ATOM 562 CB VAL A 33 17.031 25.517 -3.701 1.00 0.00 C ATOM 563 CG1 VAL A 33 16.284 24.810 -4.822 1.00 0.00 C ATOM 564 CG2 VAL A 33 16.066 26.266 -2.796 1.00 0.00 C ATOM 0 H VAL A 33 18.669 26.194 -1.933 1.00 0.00 H new ATOM 0 HA VAL A 33 17.190 23.820 -2.378 1.00 0.00 H new ATOM 0 HB VAL A 33 17.709 26.243 -4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.701 25.538 -5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.999 24.324 -5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.616 24.061 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.486 26.973 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.392 25.556 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.627 26.806 -2.034 1.00 0.00 H new ATOM 574 N GLU A 34 19.799 24.391 -4.342 1.00 0.00 N ATOM 575 CA GLU A 34 20.736 23.757 -5.262 1.00 0.00 C ATOM 576 C GLU A 34 21.683 22.822 -4.514 1.00 0.00 C ATOM 577 O GLU A 34 22.471 22.101 -5.126 1.00 0.00 O ATOM 578 CB GLU A 34 21.540 24.817 -6.018 1.00 0.00 C ATOM 579 CG GLU A 34 21.983 24.373 -7.402 1.00 0.00 C ATOM 580 CD GLU A 34 23.491 24.280 -7.530 1.00 0.00 C ATOM 581 OE1 GLU A 34 24.176 25.271 -7.200 1.00 0.00 O ATOM 582 OE2 GLU A 34 23.986 23.218 -7.959 1.00 0.00 O ATOM 0 H GLU A 34 20.009 25.367 -4.132 1.00 0.00 H new ATOM 0 HA GLU A 34 20.161 23.169 -5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 34 20.937 25.720 -6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.420 25.080 -5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.543 23.401 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.602 25.075 -8.144 1.00 0.00 H new ATOM 589 N ALA A 35 21.599 22.841 -3.188 1.00 0.00 N ATOM 590 CA ALA A 35 22.446 21.995 -2.357 1.00 0.00 C ATOM 591 C ALA A 35 21.990 20.540 -2.410 1.00 0.00 C ATOM 592 O ALA A 35 22.809 19.622 -2.378 1.00 0.00 O ATOM 593 CB ALA A 35 22.447 22.497 -0.921 1.00 0.00 C ATOM 0 H ALA A 35 20.953 23.433 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 35 23.462 22.045 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 35 23.084 21.856 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 35 22.827 23.518 -0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.430 22.478 -0.528 1.00 0.00 H new ATOM 599 N ALA A 36 20.679 20.339 -2.492 1.00 0.00 N ATOM 600 CA ALA A 36 20.115 18.996 -2.551 1.00 0.00 C ATOM 601 C ALA A 36 20.087 18.475 -3.984 1.00 0.00 C ATOM 602 O ALA A 36 20.157 19.236 -4.948 1.00 0.00 O ATOM 603 CB ALA A 36 18.715 18.985 -1.956 1.00 0.00 C ATOM 0 H ALA A 36 19.988 21.089 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 36 20.752 18.335 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.306 17.976 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.759 19.307 -0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.075 19.664 -2.519 1.00 0.00 H new ATOM 609 N PRO A 37 19.984 17.145 -4.129 1.00 0.00 N ATOM 610 CA PRO A 37 19.944 16.493 -5.441 1.00 0.00 C ATOM 611 C PRO A 37 18.646 16.774 -6.190 1.00 0.00 C ATOM 612 O PRO A 37 17.772 17.481 -5.690 1.00 0.00 O ATOM 613 CB PRO A 37 20.053 15.004 -5.100 1.00 0.00 C ATOM 614 CG PRO A 37 19.523 14.894 -3.712 1.00 0.00 C ATOM 615 CD PRO A 37 19.896 16.177 -3.023 1.00 0.00 C ATOM 0 HA PRO A 37 20.735 16.853 -6.099 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.474 14.395 -5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 37 21.085 14.659 -5.158 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.442 14.754 -3.717 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.953 14.035 -3.197 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.146 16.472 -2.289 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.843 16.087 -2.491 1.00 0.00 H new ATOM 623 N GLU A 38 18.528 16.216 -7.390 1.00 0.00 N ATOM 624 CA GLU A 38 17.336 16.408 -8.207 1.00 0.00 C ATOM 625 C GLU A 38 16.090 15.916 -7.476 1.00 0.00 C ATOM 626 O GLU A 38 15.074 16.608 -7.425 1.00 0.00 O ATOM 627 CB GLU A 38 17.481 15.673 -9.542 1.00 0.00 C ATOM 628 CG GLU A 38 17.830 14.202 -9.392 1.00 0.00 C ATOM 629 CD GLU A 38 18.201 13.553 -10.711 1.00 0.00 C ATOM 630 OE1 GLU A 38 17.944 14.169 -11.767 1.00 0.00 O ATOM 631 OE2 GLU A 38 18.748 12.431 -10.688 1.00 0.00 O ATOM 0 H GLU A 38 19.243 15.628 -7.818 1.00 0.00 H new ATOM 0 HA GLU A 38 17.226 17.475 -8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 38 16.548 15.761 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.254 16.163 -10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 38 18.661 14.099 -8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.981 13.674 -8.957 1.00 0.00 H new ATOM 638 N GLU A 39 16.177 14.715 -6.912 1.00 0.00 N ATOM 639 CA GLU A 39 15.057 14.130 -6.185 1.00 0.00 C ATOM 640 C GLU A 39 14.636 15.024 -5.023 1.00 0.00 C ATOM 641 O GLU A 39 13.493 15.479 -4.955 1.00 0.00 O ATOM 642 CB GLU A 39 15.428 12.740 -5.665 1.00 0.00 C ATOM 643 CG GLU A 39 15.352 11.653 -6.724 1.00 0.00 C ATOM 644 CD GLU A 39 14.714 10.378 -6.207 1.00 0.00 C ATOM 645 OE1 GLU A 39 13.474 10.347 -6.070 1.00 0.00 O ATOM 646 OE2 GLU A 39 15.458 9.411 -5.939 1.00 0.00 O ATOM 0 H GLU A 39 17.011 14.129 -6.945 1.00 0.00 H new ATOM 0 HA GLU A 39 14.217 14.040 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.440 12.771 -5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.763 12.480 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.781 12.021 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.356 11.432 -7.085 1.00 0.00 H new ATOM 653 N THR A 40 15.568 15.273 -4.107 1.00 0.00 N ATOM 654 CA THR A 40 15.294 16.111 -2.947 1.00 0.00 C ATOM 655 C THR A 40 14.761 17.476 -3.367 1.00 0.00 C ATOM 656 O THR A 40 13.791 17.976 -2.797 1.00 0.00 O ATOM 657 CB THR A 40 16.557 16.308 -2.086 1.00 0.00 C ATOM 658 OG1 THR A 40 17.192 15.047 -1.852 1.00 0.00 O ATOM 659 CG2 THR A 40 16.209 16.961 -0.757 1.00 0.00 C ATOM 0 H THR A 40 16.519 14.906 -4.147 1.00 0.00 H new ATOM 0 HA THR A 40 14.537 15.595 -2.357 1.00 0.00 H new ATOM 0 HB THR A 40 17.240 16.963 -2.627 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.783 15.118 -1.073 1.00 0.00 H new ATOM 0 HG21 THR A 40 17.116 17.090 -0.166 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.753 17.934 -0.938 1.00 0.00 H new ATOM 0 HG23 THR A 40 15.509 16.328 -0.213 1.00 0.00 H new ATOM 667 N ARG A 41 15.401 18.073 -4.367 1.00 0.00 N ATOM 668 CA ARG A 41 14.990 19.381 -4.863 1.00 0.00 C ATOM 669 C ARG A 41 13.522 19.369 -5.279 1.00 0.00 C ATOM 670 O ARG A 41 12.762 20.275 -4.937 1.00 0.00 O ATOM 671 CB ARG A 41 15.864 19.798 -6.048 1.00 0.00 C ATOM 672 CG ARG A 41 17.116 20.559 -5.644 1.00 0.00 C ATOM 673 CD ARG A 41 18.043 20.774 -6.830 1.00 0.00 C ATOM 674 NE ARG A 41 18.188 22.189 -7.161 1.00 0.00 N ATOM 675 CZ ARG A 41 18.703 22.627 -8.305 1.00 0.00 C ATOM 676 NH1 ARG A 41 19.120 21.764 -9.222 1.00 0.00 N ATOM 677 NH2 ARG A 41 18.802 23.930 -8.533 1.00 0.00 N ATOM 0 H ARG A 41 16.205 17.672 -4.849 1.00 0.00 H new ATOM 0 HA ARG A 41 15.115 20.103 -4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.154 18.907 -6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.274 20.418 -6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.836 21.523 -5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.642 20.008 -4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.023 20.352 -6.606 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.655 20.237 -7.696 1.00 0.00 H new ATOM 0 HE ARG A 41 17.877 22.879 -6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.046 20.761 -9.050 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.515 22.103 -10.099 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.483 24.596 -7.830 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.197 24.265 -9.411 1.00 0.00 H new ATOM 691 N ALA A 42 13.131 18.337 -6.019 1.00 0.00 N ATOM 692 CA ALA A 42 11.754 18.206 -6.480 1.00 0.00 C ATOM 693 C ALA A 42 10.785 18.146 -5.304 1.00 0.00 C ATOM 694 O ALA A 42 9.792 18.874 -5.267 1.00 0.00 O ATOM 695 CB ALA A 42 11.605 16.969 -7.353 1.00 0.00 C ATOM 0 H ALA A 42 13.748 17.580 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 42 11.510 19.087 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.572 16.884 -7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.263 17.053 -8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.873 16.083 -6.777 1.00 0.00 H new ATOM 701 N LEU A 43 11.078 17.274 -4.346 1.00 0.00 N ATOM 702 CA LEU A 43 10.231 17.118 -3.168 1.00 0.00 C ATOM 703 C LEU A 43 10.153 18.420 -2.378 1.00 0.00 C ATOM 704 O LEU A 43 9.066 18.888 -2.039 1.00 0.00 O ATOM 705 CB LEU A 43 10.767 15.997 -2.276 1.00 0.00 C ATOM 706 CG LEU A 43 11.154 14.700 -2.987 1.00 0.00 C ATOM 707 CD1 LEU A 43 12.422 14.117 -2.381 1.00 0.00 C ATOM 708 CD2 LEU A 43 10.016 13.693 -2.916 1.00 0.00 C ATOM 0 H LEU A 43 11.895 16.664 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 43 9.227 16.858 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.642 16.371 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.012 15.765 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 43 11.347 14.927 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.682 13.194 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.237 14.833 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.256 13.905 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.309 12.776 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.791 13.471 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.131 14.110 -3.397 1.00 0.00 H new ATOM 720 N TYR A 44 11.313 19.000 -2.088 1.00 0.00 N ATOM 721 CA TYR A 44 11.376 20.249 -1.338 1.00 0.00 C ATOM 722 C TYR A 44 10.618 21.358 -2.060 1.00 0.00 C ATOM 723 O TYR A 44 9.714 21.975 -1.498 1.00 0.00 O ATOM 724 CB TYR A 44 12.832 20.666 -1.123 1.00 0.00 C ATOM 725 CG TYR A 44 13.557 19.829 -0.094 1.00 0.00 C ATOM 726 CD1 TYR A 44 12.939 18.737 0.503 1.00 0.00 C ATOM 727 CD2 TYR A 44 14.860 20.130 0.283 1.00 0.00 C ATOM 728 CE1 TYR A 44 13.597 17.970 1.444 1.00 0.00 C ATOM 729 CE2 TYR A 44 15.526 19.368 1.223 1.00 0.00 C ATOM 730 CZ TYR A 44 14.890 18.289 1.801 1.00 0.00 C ATOM 731 OH TYR A 44 15.550 17.527 2.738 1.00 0.00 O ATOM 0 H TYR A 44 12.222 18.625 -2.361 1.00 0.00 H new ATOM 0 HA TYR A 44 10.905 20.085 -0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.364 20.600 -2.072 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.860 21.711 -0.814 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.926 18.484 0.226 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.361 20.975 -0.167 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.101 17.125 1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 44 16.539 19.616 1.504 1.00 0.00 H new ATOM 0 HH TYR A 44 16.452 17.885 2.875 1.00 0.00 H new ATOM 741 N ARG A 45 10.995 21.605 -3.311 1.00 0.00 N ATOM 742 CA ARG A 45 10.352 22.640 -4.112 1.00 0.00 C ATOM 743 C ARG A 45 8.867 22.344 -4.293 1.00 0.00 C ATOM 744 O ARG A 45 8.065 23.251 -4.511 1.00 0.00 O ATOM 745 CB ARG A 45 11.031 22.753 -5.478 1.00 0.00 C ATOM 746 CG ARG A 45 11.077 24.172 -6.020 1.00 0.00 C ATOM 747 CD ARG A 45 12.388 24.860 -5.672 1.00 0.00 C ATOM 748 NE ARG A 45 13.428 24.587 -6.660 1.00 0.00 N ATOM 749 CZ ARG A 45 13.466 25.151 -7.862 1.00 0.00 C ATOM 750 NH1 ARG A 45 12.526 26.014 -8.223 1.00 0.00 N ATOM 751 NH2 ARG A 45 14.445 24.852 -8.706 1.00 0.00 N ATOM 0 H ARG A 45 11.742 21.103 -3.791 1.00 0.00 H new ATOM 0 HA ARG A 45 10.454 23.588 -3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.048 22.369 -5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.504 22.118 -6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.951 24.153 -7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.245 24.745 -5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.226 25.936 -5.604 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.724 24.525 -4.690 1.00 0.00 H new ATOM 0 HE ARG A 45 14.166 23.927 -6.414 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.772 26.246 -7.577 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.558 26.446 -9.147 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.170 24.188 -8.432 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.473 25.286 -9.629 1.00 0.00 H new ATOM 765 N GLU A 46 8.508 21.067 -4.202 1.00 0.00 N ATOM 766 CA GLU A 46 7.119 20.651 -4.357 1.00 0.00 C ATOM 767 C GLU A 46 6.271 21.137 -3.185 1.00 0.00 C ATOM 768 O GLU A 46 5.353 21.938 -3.359 1.00 0.00 O ATOM 769 CB GLU A 46 7.029 19.128 -4.470 1.00 0.00 C ATOM 770 CG GLU A 46 6.968 18.626 -5.903 1.00 0.00 C ATOM 771 CD GLU A 46 5.641 18.929 -6.571 1.00 0.00 C ATOM 772 OE1 GLU A 46 5.497 20.036 -7.130 1.00 0.00 O ATOM 773 OE2 GLU A 46 4.747 18.058 -6.535 1.00 0.00 O ATOM 0 H GLU A 46 9.160 20.303 -4.022 1.00 0.00 H new ATOM 0 HA GLU A 46 6.732 21.099 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.893 18.684 -3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.143 18.784 -3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.773 19.083 -6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.139 17.550 -5.915 1.00 0.00 H new ATOM 780 N TYR A 47 6.585 20.645 -1.992 1.00 0.00 N ATOM 781 CA TYR A 47 5.851 21.025 -0.791 1.00 0.00 C ATOM 782 C TYR A 47 6.055 22.503 -0.473 1.00 0.00 C ATOM 783 O TYR A 47 5.208 23.137 0.156 1.00 0.00 O ATOM 784 CB TYR A 47 6.297 20.171 0.397 1.00 0.00 C ATOM 785 CG TYR A 47 5.282 20.113 1.516 1.00 0.00 C ATOM 786 CD1 TYR A 47 4.262 19.170 1.508 1.00 0.00 C ATOM 787 CD2 TYR A 47 5.343 21.003 2.582 1.00 0.00 C ATOM 788 CE1 TYR A 47 3.332 19.114 2.528 1.00 0.00 C ATOM 789 CE2 TYR A 47 4.419 20.953 3.607 1.00 0.00 C ATOM 790 CZ TYR A 47 3.415 20.007 3.576 1.00 0.00 C ATOM 791 OH TYR A 47 2.491 19.955 4.594 1.00 0.00 O ATOM 0 H TYR A 47 7.343 19.982 -1.831 1.00 0.00 H new ATOM 0 HA TYR A 47 4.790 20.854 -0.975 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.500 19.158 0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.234 20.568 0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.195 18.468 0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.126 21.746 2.609 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.544 18.375 2.505 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.482 21.651 4.429 1.00 0.00 H new ATOM 0 HH TYR A 47 2.692 20.651 5.254 1.00 0.00 H new ATOM 801 N ARG A 48 7.185 23.046 -0.915 1.00 0.00 N ATOM 802 CA ARG A 48 7.501 24.450 -0.678 1.00 0.00 C ATOM 803 C ARG A 48 6.652 25.356 -1.565 1.00 0.00 C ATOM 804 O ARG A 48 6.101 26.356 -1.104 1.00 0.00 O ATOM 805 CB ARG A 48 8.986 24.710 -0.938 1.00 0.00 C ATOM 806 CG ARG A 48 9.443 26.099 -0.522 1.00 0.00 C ATOM 807 CD ARG A 48 9.648 26.191 0.982 1.00 0.00 C ATOM 808 NE ARG A 48 8.716 27.128 1.605 1.00 0.00 N ATOM 809 CZ ARG A 48 8.401 27.102 2.895 1.00 0.00 C ATOM 810 NH1 ARG A 48 8.941 26.193 3.695 1.00 0.00 N ATOM 811 NH2 ARG A 48 7.545 27.989 3.388 1.00 0.00 N ATOM 0 H ARG A 48 7.896 22.536 -1.439 1.00 0.00 H new ATOM 0 HA ARG A 48 7.276 24.677 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.576 23.967 -0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.190 24.572 -2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.374 26.345 -1.033 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.703 26.836 -0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.521 25.204 1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.671 26.505 1.190 1.00 0.00 H new ATOM 0 HE ARG A 48 8.284 27.841 1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.600 25.511 3.320 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.697 26.176 4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.129 28.691 2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.303 27.969 4.379 1.00 0.00 H new ATOM 825 N THR A 49 6.551 24.999 -2.842 1.00 0.00 N ATOM 826 CA THR A 49 5.772 25.780 -3.794 1.00 0.00 C ATOM 827 C THR A 49 4.282 25.702 -3.480 1.00 0.00 C ATOM 828 O THR A 49 3.560 26.693 -3.595 1.00 0.00 O ATOM 829 CB THR A 49 6.006 25.301 -5.239 1.00 0.00 C ATOM 830 OG1 THR A 49 7.376 25.502 -5.606 1.00 0.00 O ATOM 831 CG2 THR A 49 5.102 26.045 -6.209 1.00 0.00 C ATOM 0 H THR A 49 6.999 24.174 -3.240 1.00 0.00 H new ATOM 0 HA THR A 49 6.106 26.813 -3.703 1.00 0.00 H new ATOM 0 HB THR A 49 5.769 24.238 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.890 24.691 -5.408 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.285 25.690 -7.223 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.060 25.866 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.312 27.113 -6.156 1.00 0.00 H new ATOM 839 N LEU A 50 3.828 24.518 -3.082 1.00 0.00 N ATOM 840 CA LEU A 50 2.422 24.311 -2.750 1.00 0.00 C ATOM 841 C LEU A 50 2.066 24.998 -1.436 1.00 0.00 C ATOM 842 O LEU A 50 0.999 25.600 -1.307 1.00 0.00 O ATOM 843 CB LEU A 50 2.116 22.815 -2.656 1.00 0.00 C ATOM 844 CG LEU A 50 2.252 22.019 -3.954 1.00 0.00 C ATOM 845 CD1 LEU A 50 2.581 20.564 -3.657 1.00 0.00 C ATOM 846 CD2 LEU A 50 0.976 22.121 -4.778 1.00 0.00 C ATOM 0 H LEU A 50 4.412 23.688 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 50 1.818 24.751 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.780 22.375 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.098 22.695 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 50 3.071 22.444 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.674 20.014 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.521 20.508 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.784 20.126 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.091 21.548 -5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.139 21.722 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.783 23.166 -5.022 1.00 0.00 H new ATOM 858 N LYS A 51 2.966 24.907 -0.464 1.00 0.00 N ATOM 859 CA LYS A 51 2.749 25.523 0.840 1.00 0.00 C ATOM 860 C LYS A 51 2.913 27.037 0.761 1.00 0.00 C ATOM 861 O LYS A 51 2.309 27.778 1.538 1.00 0.00 O ATOM 862 CB LYS A 51 3.726 24.947 1.868 1.00 0.00 C ATOM 863 CG LYS A 51 3.486 25.445 3.282 1.00 0.00 C ATOM 864 CD LYS A 51 4.704 26.166 3.835 1.00 0.00 C ATOM 865 CE LYS A 51 4.463 26.661 5.252 1.00 0.00 C ATOM 866 NZ LYS A 51 5.138 25.800 6.263 1.00 0.00 N ATOM 0 H LYS A 51 3.853 24.412 -0.554 1.00 0.00 H new ATOM 0 HA LYS A 51 1.729 25.302 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.652 23.860 1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.744 25.200 1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.629 26.118 3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.237 24.603 3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.562 25.494 3.824 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.952 27.010 3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.826 27.684 5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.392 26.684 5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.949 26.171 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.773 24.829 6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.163 25.798 6.089 1.00 0.00 H new ATOM 880 N ARG A 52 3.731 27.491 -0.183 1.00 0.00 N ATOM 881 CA ARG A 52 3.973 28.917 -0.364 1.00 0.00 C ATOM 882 C ARG A 52 2.814 29.575 -1.107 1.00 0.00 C ATOM 883 O ARG A 52 2.389 30.679 -0.766 1.00 0.00 O ATOM 884 CB ARG A 52 5.278 29.142 -1.130 1.00 0.00 C ATOM 885 CG ARG A 52 6.516 29.095 -0.250 1.00 0.00 C ATOM 886 CD ARG A 52 6.512 30.216 0.777 1.00 0.00 C ATOM 887 NE ARG A 52 6.221 31.512 0.172 1.00 0.00 N ATOM 888 CZ ARG A 52 5.804 32.568 0.861 1.00 0.00 C ATOM 889 NH1 ARG A 52 5.630 32.481 2.173 1.00 0.00 N ATOM 890 NH2 ARG A 52 5.560 33.715 0.239 1.00 0.00 N ATOM 0 H ARG A 52 4.237 26.891 -0.834 1.00 0.00 H new ATOM 0 HA ARG A 52 4.056 29.374 0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.367 28.385 -1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.234 30.110 -1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.565 28.133 0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.408 29.172 -0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.770 30.000 1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.482 30.257 1.272 1.00 0.00 H new ATOM 0 HE ARG A 52 6.345 31.612 -0.836 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.817 31.602 2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.310 33.293 2.700 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.693 33.786 -0.770 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.240 34.525 0.770 1.00 0.00 H new ATOM 904 N THR A 53 2.306 28.889 -2.127 1.00 0.00 N ATOM 905 CA THR A 53 1.199 29.407 -2.920 1.00 0.00 C ATOM 906 C THR A 53 -0.128 29.233 -2.191 1.00 0.00 C ATOM 907 O THR A 53 -1.038 30.051 -2.330 1.00 0.00 O ATOM 908 CB THR A 53 1.114 28.709 -4.290 1.00 0.00 C ATOM 909 OG1 THR A 53 0.129 29.351 -5.108 1.00 0.00 O ATOM 910 CG2 THR A 53 0.763 27.237 -4.127 1.00 0.00 C ATOM 0 H THR A 53 2.644 27.973 -2.423 1.00 0.00 H new ATOM 0 HA THR A 53 1.390 30.469 -3.073 1.00 0.00 H new ATOM 0 HB THR A 53 2.089 28.783 -4.771 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.083 28.902 -5.978 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.709 26.765 -5.108 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.530 26.744 -3.529 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.201 27.146 -3.627 1.00 0.00 H new ATOM 918 N THR A 54 -0.233 28.162 -1.410 1.00 0.00 N ATOM 919 CA THR A 54 -1.450 27.880 -0.658 1.00 0.00 C ATOM 920 C THR A 54 -1.404 28.524 0.723 1.00 0.00 C ATOM 921 O THR A 54 -2.438 28.732 1.356 1.00 0.00 O ATOM 922 CB THR A 54 -1.673 26.365 -0.499 1.00 0.00 C ATOM 923 OG1 THR A 54 -1.767 25.745 -1.786 1.00 0.00 O ATOM 924 CG2 THR A 54 -2.939 26.085 0.298 1.00 0.00 C ATOM 0 H THR A 54 0.510 27.475 -1.282 1.00 0.00 H new ATOM 0 HA THR A 54 -2.278 28.304 -1.226 1.00 0.00 H new ATOM 0 HB THR A 54 -0.822 25.950 0.042 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.876 25.462 -2.079 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.076 25.008 0.397 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.852 26.533 1.288 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.797 26.513 -0.220 1.00 0.00 H new ATOM 932 N GLY A 55 -0.198 28.838 1.185 1.00 0.00 N ATOM 933 CA GLY A 55 -0.040 29.456 2.488 1.00 0.00 C ATOM 934 C GLY A 55 -0.403 28.518 3.622 1.00 0.00 C ATOM 935 O GLY A 55 -1.049 28.923 4.588 1.00 0.00 O ATOM 0 H GLY A 55 0.673 28.675 0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.992 29.784 2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.666 30.347 2.543 1.00 0.00 H new ATOM 939 N GLN A 56 0.012 27.261 3.504 1.00 0.00 N ATOM 940 CA GLN A 56 -0.276 26.262 4.526 1.00 0.00 C ATOM 941 C GLN A 56 -1.779 26.040 4.663 1.00 0.00 C ATOM 942 O GLN A 56 -2.345 26.204 5.744 1.00 0.00 O ATOM 943 CB GLN A 56 0.312 26.694 5.871 1.00 0.00 C ATOM 944 CG GLN A 56 0.517 25.543 6.843 1.00 0.00 C ATOM 945 CD GLN A 56 -0.584 25.453 7.880 1.00 0.00 C ATOM 946 OE1 GLN A 56 -0.824 26.398 8.632 1.00 0.00 O ATOM 947 NE2 GLN A 56 -1.262 24.312 7.927 1.00 0.00 N ATOM 0 H GLN A 56 0.549 26.910 2.711 1.00 0.00 H new ATOM 0 HA GLN A 56 0.185 25.323 4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.268 27.188 5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.349 27.431 6.327 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.565 24.607 6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.476 25.664 7.346 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.030 23.554 7.285 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.015 24.194 8.605 1.00 0.00 H new TER 956 GLN A 56