USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 460 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 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.23) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= -0.0533 (180deg=-0.476) USER MOD Single : A 21 LYS NZ :NH3+ -150:sc= -0.195 (180deg=-1.14!) USER MOD Single : A 24 ASN : amide:sc= -0.0293 K(o=-0.029,f=-1.1!) USER MOD Single : A 28 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.56) USER MOD Single : A 30 HIS : no HD1:sc= -0.5 K(o=-0.5,f=-4.2!) USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= -0.204 (180deg=-1.03) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.044 (180deg=-0.529) USER MOD Single : A 43 LYS NZ :NH3+ 145:sc= -0.0584 (180deg=-2) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.23) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.608 -13.550 65.127 1.00 0.00 N ATOM 2 CA GLY A 1 13.772 -13.098 64.315 1.00 0.00 C ATOM 3 C GLY A 1 14.219 -11.719 64.791 1.00 0.00 C ATOM 4 O GLY A 1 13.755 -10.697 64.285 1.00 0.00 O ATOM 0 H1 GLY A 1 12.303 -14.490 64.803 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.883 -13.601 66.129 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.825 -12.875 65.017 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.592 -13.810 64.408 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.500 -13.060 63.260 1.00 0.00 H new ATOM 10 N SER A 2 15.123 -11.698 65.764 1.00 0.00 N ATOM 11 CA SER A 2 15.626 -10.439 66.301 1.00 0.00 C ATOM 12 C SER A 2 16.377 -9.660 65.225 1.00 0.00 C ATOM 13 O SER A 2 16.509 -8.440 65.306 1.00 0.00 O ATOM 14 CB SER A 2 16.559 -10.710 67.481 1.00 0.00 C ATOM 15 OG SER A 2 17.704 -11.418 67.022 1.00 0.00 O ATOM 0 H SER A 2 15.521 -12.533 66.195 1.00 0.00 H new ATOM 0 HA SER A 2 14.777 -9.845 66.639 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.860 -9.771 67.945 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.040 -11.290 68.244 1.00 0.00 H new ATOM 0 HG SER A 2 18.305 -11.592 67.776 1.00 0.00 H new ATOM 21 N ALA A 3 16.866 -10.375 64.216 1.00 0.00 N ATOM 22 CA ALA A 3 17.601 -9.740 63.129 1.00 0.00 C ATOM 23 C ALA A 3 16.714 -8.738 62.396 1.00 0.00 C ATOM 24 O ALA A 3 17.164 -7.657 62.019 1.00 0.00 O ATOM 25 CB ALA A 3 18.096 -10.801 62.146 1.00 0.00 C ATOM 0 H ALA A 3 16.767 -11.386 64.129 1.00 0.00 H new ATOM 0 HA ALA A 3 18.454 -9.210 63.552 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.644 -10.319 61.336 1.00 0.00 H new ATOM 0 HB2 ALA A 3 18.753 -11.499 62.665 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.244 -11.342 61.735 1.00 0.00 H new ATOM 31 N GLY A 4 15.452 -9.106 62.202 1.00 0.00 N ATOM 32 CA GLY A 4 14.508 -8.232 61.512 1.00 0.00 C ATOM 33 C GLY A 4 14.655 -8.354 59.999 1.00 0.00 C ATOM 34 O GLY A 4 13.968 -7.666 59.243 1.00 0.00 O ATOM 0 H GLY A 4 15.061 -9.996 62.510 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.490 -8.488 61.804 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.676 -7.198 61.815 1.00 0.00 H new ATOM 38 N LEU A 5 15.553 -9.237 59.561 1.00 0.00 N ATOM 39 CA LEU A 5 15.779 -9.445 58.130 1.00 0.00 C ATOM 40 C LEU A 5 14.849 -10.531 57.600 1.00 0.00 C ATOM 41 O LEU A 5 14.791 -10.779 56.397 1.00 0.00 O ATOM 42 CB LEU A 5 17.235 -9.856 57.880 1.00 0.00 C ATOM 43 CG LEU A 5 18.193 -8.752 58.355 1.00 0.00 C ATOM 44 CD1 LEU A 5 19.635 -9.232 58.174 1.00 0.00 C ATOM 45 CD2 LEU A 5 17.967 -7.466 57.536 1.00 0.00 C ATOM 0 H LEU A 5 16.131 -9.815 60.170 1.00 0.00 H new ATOM 0 HA LEU A 5 15.572 -8.510 57.609 1.00 0.00 H new ATOM 0 HB2 LEU A 5 17.452 -10.786 58.406 1.00 0.00 H new ATOM 0 HB3 LEU A 5 17.388 -10.047 56.818 1.00 0.00 H new ATOM 0 HG LEU A 5 18.004 -8.535 59.406 1.00 0.00 H new ATOM 0 HD11 LEU A 5 20.322 -8.455 58.509 1.00 0.00 H new ATOM 0 HD12 LEU A 5 19.794 -10.135 58.763 1.00 0.00 H new ATOM 0 HD13 LEU A 5 19.817 -9.448 57.121 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.651 -6.690 57.881 1.00 0.00 H new ATOM 0 HD22 LEU A 5 18.151 -7.669 56.481 1.00 0.00 H new ATOM 0 HD23 LEU A 5 16.939 -7.128 57.666 1.00 0.00 H new ATOM 57 N GLN A 6 14.123 -11.174 58.508 1.00 0.00 N ATOM 58 CA GLN A 6 13.197 -12.233 58.121 1.00 0.00 C ATOM 59 C GLN A 6 12.105 -11.680 57.210 1.00 0.00 C ATOM 60 O GLN A 6 11.710 -12.323 56.238 1.00 0.00 O ATOM 61 CB GLN A 6 12.561 -12.852 59.372 1.00 0.00 C ATOM 62 CG GLN A 6 11.706 -14.065 58.986 1.00 0.00 C ATOM 63 CD GLN A 6 12.577 -15.159 58.375 1.00 0.00 C ATOM 64 OE1 GLN A 6 13.541 -15.606 58.997 1.00 0.00 O ATOM 65 NE2 GLN A 6 12.294 -15.616 57.186 1.00 0.00 N ATOM 0 H GLN A 6 14.157 -10.983 59.509 1.00 0.00 H new ATOM 0 HA GLN A 6 13.752 -12.999 57.580 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.339 -13.155 60.073 1.00 0.00 H new ATOM 0 HB3 GLN A 6 11.945 -12.110 59.881 1.00 0.00 H new ATOM 0 HG2 GLN A 6 11.192 -14.450 59.867 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.937 -13.764 58.274 1.00 0.00 H new ATOM 0 HE21 GLN A 6 11.495 -15.244 56.673 1.00 0.00 H new ATOM 0 HE22 GLN A 6 12.872 -16.346 56.769 1.00 0.00 H new ATOM 74 N GLU A 7 11.621 -10.485 57.532 1.00 0.00 N ATOM 75 CA GLU A 7 10.574 -9.856 56.737 1.00 0.00 C ATOM 76 C GLU A 7 11.129 -9.400 55.390 1.00 0.00 C ATOM 77 O GLU A 7 12.270 -8.949 55.299 1.00 0.00 O ATOM 78 CB GLU A 7 9.996 -8.650 57.486 1.00 0.00 C ATOM 79 CG GLU A 7 9.281 -9.116 58.765 1.00 0.00 C ATOM 80 CD GLU A 7 10.292 -9.355 59.885 1.00 0.00 C ATOM 81 OE1 GLU A 7 11.469 -9.136 59.657 1.00 0.00 O ATOM 82 OE2 GLU A 7 9.870 -9.756 60.958 1.00 0.00 O1- ATOM 0 H GLU A 7 11.935 -9.936 58.332 1.00 0.00 H new ATOM 0 HA GLU A 7 9.785 -10.588 56.567 1.00 0.00 H new ATOM 0 HB2 GLU A 7 10.794 -7.953 57.740 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.297 -8.114 56.844 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.554 -8.366 59.077 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.727 -10.033 58.565 1.00 0.00 H new ATOM 89 N LYS A 8 10.310 -9.517 54.350 1.00 0.00 N ATOM 90 CA LYS A 8 10.726 -9.111 53.011 1.00 0.00 C ATOM 91 C LYS A 8 10.805 -7.591 52.903 1.00 0.00 C ATOM 92 O LYS A 8 11.503 -7.060 52.040 1.00 0.00 O ATOM 93 CB LYS A 8 9.758 -9.660 51.959 1.00 0.00 C ATOM 94 CG LYS A 8 9.924 -11.181 51.854 1.00 0.00 C ATOM 95 CD LYS A 8 8.961 -11.729 50.800 1.00 0.00 C ATOM 96 CE LYS A 8 9.136 -13.245 50.689 1.00 0.00 C ATOM 97 NZ LYS A 8 8.190 -13.779 49.669 1.00 0.00 N1+ ATOM 0 H LYS A 8 9.361 -9.887 54.407 1.00 0.00 H new ATOM 0 HA LYS A 8 11.718 -9.523 52.828 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.731 -9.414 52.230 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.953 -9.195 50.993 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.951 -11.427 51.586 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.726 -11.646 52.820 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.933 -11.490 51.072 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.154 -11.258 49.836 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.162 -13.484 50.410 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.950 -13.715 51.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.308 -14.809 49.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.214 -13.562 49.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.388 -13.338 48.748 1.00 0.00 H new ATOM 111 N GLU A 9 10.083 -6.895 53.780 1.00 0.00 N ATOM 112 CA GLU A 9 10.083 -5.433 53.769 1.00 0.00 C ATOM 113 C GLU A 9 9.609 -4.904 52.414 1.00 0.00 C ATOM 114 O GLU A 9 10.205 -3.978 51.862 1.00 0.00 O ATOM 115 CB GLU A 9 11.492 -4.907 54.056 1.00 0.00 C ATOM 116 CG GLU A 9 12.026 -5.548 55.339 1.00 0.00 C ATOM 117 CD GLU A 9 11.197 -5.095 56.536 1.00 0.00 C ATOM 118 OE1 GLU A 9 10.230 -5.770 56.850 1.00 0.00 O ATOM 119 OE2 GLU A 9 11.543 -4.084 57.124 1.00 0.00 O1- ATOM 0 H GLU A 9 9.496 -7.315 54.501 1.00 0.00 H new ATOM 0 HA GLU A 9 9.399 -5.085 54.543 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.154 -5.135 53.220 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.472 -3.822 54.160 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.992 -6.634 55.253 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.070 -5.272 55.485 1.00 0.00 H new ATOM 126 N ARG A 10 8.545 -5.500 51.875 1.00 0.00 N ATOM 127 CA ARG A 10 8.018 -5.080 50.582 1.00 0.00 C ATOM 128 C ARG A 10 7.549 -3.627 50.624 1.00 0.00 C ATOM 129 O ARG A 10 7.735 -2.879 49.665 1.00 0.00 O ATOM 130 CB ARG A 10 6.837 -5.968 50.183 1.00 0.00 C ATOM 131 CG ARG A 10 7.328 -7.381 49.868 1.00 0.00 C ATOM 132 CD ARG A 10 6.190 -8.178 49.225 1.00 0.00 C ATOM 133 NE ARG A 10 5.066 -8.293 50.152 1.00 0.00 N ATOM 134 CZ ARG A 10 4.999 -9.278 51.043 1.00 0.00 C ATOM 135 NH1 ARG A 10 3.981 -9.354 51.855 1.00 0.00 N1+ ATOM 136 NH2 ARG A 10 5.950 -10.169 51.107 1.00 0.00 N ATOM 0 H ARG A 10 8.036 -6.269 52.312 1.00 0.00 H new ATOM 0 HA ARG A 10 8.821 -5.173 49.851 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.106 -6.000 50.991 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.333 -5.547 49.313 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.184 -7.340 49.195 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.663 -7.874 50.780 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.865 -7.686 48.308 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.544 -9.171 48.947 1.00 0.00 H new ATOM 0 HE ARG A 10 4.316 -7.602 50.115 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.237 -8.658 51.806 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.929 -10.109 52.539 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.747 -10.111 50.473 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.897 -10.924 51.791 1.00 0.00 H new ATOM 150 N GLU A 11 6.926 -3.236 51.733 1.00 0.00 N ATOM 151 CA GLU A 11 6.421 -1.873 51.867 1.00 0.00 C ATOM 152 C GLU A 11 7.559 -0.861 51.754 1.00 0.00 C ATOM 153 O GLU A 11 7.440 0.138 51.046 1.00 0.00 O ATOM 154 CB GLU A 11 5.711 -1.718 53.221 1.00 0.00 C ATOM 155 CG GLU A 11 5.150 -0.297 53.371 1.00 0.00 C ATOM 156 CD GLU A 11 4.106 -0.025 52.293 1.00 0.00 C ATOM 157 OE1 GLU A 11 3.573 -0.983 51.757 1.00 0.00 O ATOM 158 OE2 GLU A 11 3.855 1.136 52.018 1.00 0.00 O1- ATOM 0 H GLU A 11 6.760 -3.835 52.542 1.00 0.00 H new ATOM 0 HA GLU A 11 5.712 -1.681 51.061 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.903 -2.445 53.301 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.409 -1.928 54.031 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.704 -0.177 54.358 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.958 0.430 53.296 1.00 0.00 H new ATOM 165 N LEU A 12 8.664 -1.124 52.447 1.00 0.00 N ATOM 166 CA LEU A 12 9.808 -0.221 52.396 1.00 0.00 C ATOM 167 C LEU A 12 10.392 -0.181 50.987 1.00 0.00 C ATOM 168 O LEU A 12 10.785 0.878 50.496 1.00 0.00 O ATOM 169 CB LEU A 12 10.884 -0.667 53.390 1.00 0.00 C ATOM 170 CG LEU A 12 10.396 -0.445 54.832 1.00 0.00 C ATOM 171 CD1 LEU A 12 11.389 -1.092 55.804 1.00 0.00 C ATOM 172 CD2 LEU A 12 10.274 1.064 55.139 1.00 0.00 C ATOM 0 H LEU A 12 8.790 -1.943 53.042 1.00 0.00 H new ATOM 0 HA LEU A 12 9.468 0.779 52.667 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.119 -1.720 53.235 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.803 -0.107 53.219 1.00 0.00 H new ATOM 0 HG LEU A 12 9.413 -0.901 54.948 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.049 -0.938 56.828 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.454 -2.161 55.600 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.372 -0.638 55.676 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.928 1.200 56.163 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.247 1.540 55.019 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.561 1.519 54.451 1.00 0.00 H new ATOM 184 N GLU A 13 10.439 -1.340 50.340 1.00 0.00 N ATOM 185 CA GLU A 13 10.969 -1.426 48.982 1.00 0.00 C ATOM 186 C GLU A 13 10.102 -0.621 48.018 1.00 0.00 C ATOM 187 O GLU A 13 10.611 0.039 47.112 1.00 0.00 O ATOM 188 CB GLU A 13 11.033 -2.886 48.521 1.00 0.00 C ATOM 189 CG GLU A 13 12.153 -3.621 49.266 1.00 0.00 C ATOM 190 CD GLU A 13 12.088 -5.114 48.960 1.00 0.00 C ATOM 191 OE1 GLU A 13 11.079 -5.545 48.425 1.00 0.00 O ATOM 192 OE2 GLU A 13 13.047 -5.803 49.263 1.00 0.00 O1- ATOM 0 H GLU A 13 10.120 -2.227 50.729 1.00 0.00 H new ATOM 0 HA GLU A 13 11.977 -1.011 48.985 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.078 -3.377 48.707 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.210 -2.929 47.446 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.123 -3.222 48.968 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.057 -3.456 50.339 1.00 0.00 H new ATOM 199 N ASP A 14 8.790 -0.683 48.219 1.00 0.00 N ATOM 200 CA ASP A 14 7.859 0.041 47.362 1.00 0.00 C ATOM 201 C ASP A 14 8.122 1.541 47.430 1.00 0.00 C ATOM 202 O ASP A 14 8.117 2.229 46.408 1.00 0.00 O ATOM 203 CB ASP A 14 6.420 -0.247 47.792 1.00 0.00 C ATOM 204 CG ASP A 14 5.444 0.440 46.843 1.00 0.00 C ATOM 205 OD1 ASP A 14 5.900 1.207 46.011 1.00 0.00 O ATOM 206 OD2 ASP A 14 4.257 0.189 46.962 1.00 0.00 O1- ATOM 0 H ASP A 14 8.349 -1.224 48.963 1.00 0.00 H new ATOM 0 HA ASP A 14 8.005 -0.295 46.335 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.241 -1.322 47.795 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.259 0.106 48.811 1.00 0.00 H new ATOM 211 N LEU A 15 8.349 2.045 48.639 1.00 0.00 N ATOM 212 CA LEU A 15 8.611 3.467 48.823 1.00 0.00 C ATOM 213 C LEU A 15 9.888 3.871 48.096 1.00 0.00 C ATOM 214 O LEU A 15 9.957 4.940 47.487 1.00 0.00 O ATOM 215 CB LEU A 15 8.752 3.785 50.316 1.00 0.00 C ATOM 216 CG LEU A 15 7.399 3.624 51.025 1.00 0.00 C ATOM 217 CD1 LEU A 15 7.615 3.725 52.537 1.00 0.00 C ATOM 218 CD2 LEU A 15 6.411 4.720 50.567 1.00 0.00 C ATOM 0 H LEU A 15 8.357 1.495 49.498 1.00 0.00 H new ATOM 0 HA LEU A 15 7.773 4.029 48.409 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.489 3.121 50.768 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.119 4.803 50.445 1.00 0.00 H new ATOM 0 HG LEU A 15 6.976 2.652 50.771 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.660 3.612 53.049 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.296 2.938 52.861 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.044 4.697 52.779 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.458 4.589 51.080 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.820 5.702 50.806 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.256 4.644 49.491 1.00 0.00 H new ATOM 230 N LYS A 16 10.897 3.009 48.159 1.00 0.00 N ATOM 231 CA LYS A 16 12.168 3.285 47.499 1.00 0.00 C ATOM 232 C LYS A 16 11.976 3.388 45.989 1.00 0.00 C ATOM 233 O LYS A 16 12.580 4.234 45.332 1.00 0.00 O ATOM 234 CB LYS A 16 13.174 2.175 47.813 1.00 0.00 C ATOM 235 CG LYS A 16 13.580 2.257 49.286 1.00 0.00 C ATOM 236 CD LYS A 16 14.586 1.148 49.600 1.00 0.00 C ATOM 237 CE LYS A 16 14.975 1.215 51.079 1.00 0.00 C ATOM 238 NZ LYS A 16 15.651 2.513 51.356 1.00 0.00 N1+ ATOM 0 H LYS A 16 10.861 2.119 48.657 1.00 0.00 H new ATOM 0 HA LYS A 16 12.550 4.236 47.872 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.735 1.200 47.599 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.053 2.275 47.176 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.019 3.232 49.500 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.701 2.156 49.923 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.153 0.174 49.371 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.472 1.258 48.975 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.088 1.114 51.704 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.638 0.387 51.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.206 2.435 52.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.284 2.751 50.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.936 3.261 51.464 1.00 0.00 H new ATOM 252 N ASP A 17 11.130 2.518 45.447 1.00 0.00 N ATOM 253 CA ASP A 17 10.865 2.518 44.012 1.00 0.00 C ATOM 254 C ASP A 17 10.264 3.850 43.577 1.00 0.00 C ATOM 255 O ASP A 17 10.645 4.406 42.546 1.00 0.00 O ATOM 256 CB ASP A 17 9.899 1.383 43.661 1.00 0.00 C ATOM 257 CG ASP A 17 9.690 1.326 42.150 1.00 0.00 C ATOM 258 OD1 ASP A 17 10.159 2.227 41.473 1.00 0.00 O ATOM 259 OD2 ASP A 17 9.064 0.384 41.695 1.00 0.00 O1- ATOM 0 H ASP A 17 10.620 1.809 45.974 1.00 0.00 H new ATOM 0 HA ASP A 17 11.809 2.370 43.487 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.296 0.433 44.018 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.944 1.538 44.163 1.00 0.00 H new ATOM 264 N ALA A 18 9.324 4.358 44.368 1.00 0.00 N ATOM 265 CA ALA A 18 8.678 5.626 44.053 1.00 0.00 C ATOM 266 C ALA A 18 9.700 6.759 44.024 1.00 0.00 C ATOM 267 O ALA A 18 9.637 7.643 43.169 1.00 0.00 O ATOM 268 CB ALA A 18 7.601 5.935 45.095 1.00 0.00 C ATOM 0 H ALA A 18 8.995 3.914 45.226 1.00 0.00 H new ATOM 0 HA ALA A 18 8.219 5.543 43.068 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.122 6.884 44.853 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.854 5.141 45.093 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.058 6.000 46.082 1.00 0.00 H new ATOM 274 N GLU A 19 10.639 6.727 44.963 1.00 0.00 N ATOM 275 CA GLU A 19 11.669 7.757 45.035 1.00 0.00 C ATOM 276 C GLU A 19 12.527 7.748 43.773 1.00 0.00 C ATOM 277 O GLU A 19 12.899 8.802 43.256 1.00 0.00 O ATOM 278 CB GLU A 19 12.557 7.527 46.260 1.00 0.00 C ATOM 279 CG GLU A 19 11.759 7.829 47.531 1.00 0.00 C ATOM 280 CD GLU A 19 12.572 7.438 48.760 1.00 0.00 C ATOM 281 OE1 GLU A 19 13.577 6.766 48.592 1.00 0.00 O ATOM 282 OE2 GLU A 19 12.179 7.816 49.851 1.00 0.00 O1- ATOM 0 H GLU A 19 10.709 6.005 45.680 1.00 0.00 H new ATOM 0 HA GLU A 19 11.179 8.727 45.120 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.912 6.497 46.277 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.438 8.167 46.210 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.510 8.889 47.571 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.817 7.281 47.518 1.00 0.00 H new ATOM 289 N LEU A 20 12.839 6.552 43.283 1.00 0.00 N ATOM 290 CA LEU A 20 13.655 6.420 42.082 1.00 0.00 C ATOM 291 C LEU A 20 12.939 7.036 40.884 1.00 0.00 C ATOM 292 O LEU A 20 13.562 7.683 40.041 1.00 0.00 O ATOM 293 CB LEU A 20 13.942 4.942 41.801 1.00 0.00 C ATOM 294 CG LEU A 20 14.879 4.369 42.875 1.00 0.00 C ATOM 295 CD1 LEU A 20 14.974 2.850 42.697 1.00 0.00 C ATOM 296 CD2 LEU A 20 16.285 4.996 42.759 1.00 0.00 C ATOM 0 H LEU A 20 12.542 5.668 43.695 1.00 0.00 H new ATOM 0 HA LEU A 20 14.596 6.946 42.244 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.008 4.380 41.785 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.396 4.833 40.816 1.00 0.00 H new ATOM 0 HG LEU A 20 14.477 4.604 43.861 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.638 2.436 43.456 1.00 0.00 H new ATOM 0 HD12 LEU A 20 13.983 2.409 42.802 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.369 2.624 41.707 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.934 4.578 43.528 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.701 4.778 41.775 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.214 6.076 42.892 1.00 0.00 H new ATOM 308 N LYS A 21 11.628 6.831 40.814 1.00 0.00 N ATOM 309 CA LYS A 21 10.837 7.372 39.713 1.00 0.00 C ATOM 310 C LYS A 21 10.935 8.894 39.689 1.00 0.00 C ATOM 311 O LYS A 21 11.115 9.497 38.631 1.00 0.00 O ATOM 312 CB LYS A 21 9.372 6.938 39.868 1.00 0.00 C ATOM 313 CG LYS A 21 8.497 7.520 38.743 1.00 0.00 C ATOM 314 CD LYS A 21 8.970 7.009 37.377 1.00 0.00 C ATOM 315 CE LYS A 21 7.867 7.227 36.338 1.00 0.00 C ATOM 316 NZ LYS A 21 6.665 6.431 36.716 1.00 0.00 N1+ ATOM 0 H LYS A 21 11.093 6.299 41.500 1.00 0.00 H new ATOM 0 HA LYS A 21 11.227 6.986 38.771 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.309 5.850 39.855 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.993 7.268 40.835 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.456 7.240 38.902 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.541 8.609 38.766 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.877 7.533 37.075 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.220 5.950 37.440 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.612 8.285 36.279 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.219 6.928 35.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.148 6.154 35.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.962 5.578 37.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.046 7.005 37.323 1.00 0.00 H new ATOM 330 N ARG A 22 10.818 9.510 40.861 1.00 0.00 N ATOM 331 CA ARG A 22 10.896 10.962 40.962 1.00 0.00 C ATOM 332 C ARG A 22 12.255 11.454 40.471 1.00 0.00 C ATOM 333 O ARG A 22 12.342 12.441 39.740 1.00 0.00 O ATOM 334 CB ARG A 22 10.680 11.397 42.414 1.00 0.00 C ATOM 335 CG ARG A 22 10.704 12.926 42.506 1.00 0.00 C ATOM 336 CD ARG A 22 10.409 13.354 43.945 1.00 0.00 C ATOM 337 NE ARG A 22 10.419 14.809 44.050 1.00 0.00 N ATOM 338 CZ ARG A 22 11.557 15.482 44.203 1.00 0.00 C ATOM 339 NH1 ARG A 22 11.538 16.783 44.296 1.00 0.00 N1+ ATOM 340 NH2 ARG A 22 12.691 14.839 44.260 1.00 0.00 N ATOM 0 H ARG A 22 10.670 9.030 41.749 1.00 0.00 H new ATOM 0 HA ARG A 22 10.117 11.399 40.338 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.726 11.016 42.779 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.457 10.973 43.050 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.678 13.305 42.195 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.964 13.354 41.829 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.439 12.966 44.256 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.153 12.928 44.618 1.00 0.00 H new ATOM 0 HE ARG A 22 9.537 15.320 44.005 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.651 17.285 44.251 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.410 17.299 44.413 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.705 13.822 44.187 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.564 15.354 44.377 1.00 0.00 H new ATOM 354 N LEU A 23 13.311 10.759 40.880 1.00 0.00 N ATOM 355 CA LEU A 23 14.662 11.132 40.477 1.00 0.00 C ATOM 356 C LEU A 23 14.802 11.053 38.959 1.00 0.00 C ATOM 357 O LEU A 23 15.379 11.942 38.334 1.00 0.00 O ATOM 358 CB LEU A 23 15.678 10.199 41.149 1.00 0.00 C ATOM 359 CG LEU A 23 17.111 10.563 40.729 1.00 0.00 C ATOM 360 CD1 LEU A 23 17.435 12.007 41.147 1.00 0.00 C ATOM 361 CD2 LEU A 23 18.086 9.599 41.416 1.00 0.00 C ATOM 0 H LEU A 23 13.259 9.940 41.486 1.00 0.00 H new ATOM 0 HA LEU A 23 14.855 12.158 40.791 1.00 0.00 H new ATOM 0 HB2 LEU A 23 15.582 10.269 42.233 1.00 0.00 H new ATOM 0 HB3 LEU A 23 15.465 9.165 40.877 1.00 0.00 H new ATOM 0 HG LEU A 23 17.205 10.483 39.646 1.00 0.00 H new ATOM 0 HD11 LEU A 23 18.453 12.254 40.844 1.00 0.00 H new ATOM 0 HD12 LEU A 23 16.737 12.691 40.664 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.345 12.101 42.229 1.00 0.00 H new ATOM 0 HD21 LEU A 23 19.107 9.847 41.126 1.00 0.00 H new ATOM 0 HD22 LEU A 23 17.984 9.688 42.498 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.861 8.576 41.113 1.00 0.00 H new ATOM 373 N ASN A 24 14.272 9.983 38.375 1.00 0.00 N ATOM 374 CA ASN A 24 14.348 9.800 36.931 1.00 0.00 C ATOM 375 C ASN A 24 13.640 10.941 36.205 1.00 0.00 C ATOM 376 O ASN A 24 14.126 11.438 35.190 1.00 0.00 O ATOM 377 CB ASN A 24 13.703 8.468 36.540 1.00 0.00 C ATOM 378 CG ASN A 24 13.998 8.154 35.077 1.00 0.00 C ATOM 379 OD1 ASN A 24 15.075 8.479 34.577 1.00 0.00 O ATOM 380 ND2 ASN A 24 13.101 7.538 34.357 1.00 0.00 N ATOM 0 H ASN A 24 13.789 9.236 38.875 1.00 0.00 H new ATOM 0 HA ASN A 24 15.398 9.797 36.640 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.085 7.669 37.176 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.626 8.515 36.700 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.291 7.325 33.378 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.209 7.270 34.773 1.00 0.00 H new ATOM 387 N GLU A 25 12.492 11.350 36.735 1.00 0.00 N ATOM 388 CA GLU A 25 11.728 12.435 36.130 1.00 0.00 C ATOM 389 C GLU A 25 12.528 13.733 36.151 1.00 0.00 C ATOM 390 O GLU A 25 12.501 14.507 35.193 1.00 0.00 O ATOM 391 CB GLU A 25 10.411 12.632 36.884 1.00 0.00 C ATOM 392 CG GLU A 25 9.483 11.447 36.613 1.00 0.00 C ATOM 393 CD GLU A 25 8.246 11.539 37.499 1.00 0.00 C ATOM 394 OE1 GLU A 25 8.258 12.341 38.418 1.00 0.00 O ATOM 395 OE2 GLU A 25 7.304 10.805 37.245 1.00 0.00 O1- ATOM 0 H GLU A 25 12.073 10.951 37.575 1.00 0.00 H new ATOM 0 HA GLU A 25 11.517 12.170 35.094 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.602 12.720 37.953 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.934 13.560 36.568 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.189 11.438 35.564 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.009 10.512 36.805 1.00 0.00 H new ATOM 402 N GLU A 26 13.241 13.965 37.249 1.00 0.00 N ATOM 403 CA GLU A 26 14.046 15.173 37.386 1.00 0.00 C ATOM 404 C GLU A 26 15.138 15.214 36.320 1.00 0.00 C ATOM 405 O GLU A 26 15.436 16.272 35.764 1.00 0.00 O ATOM 406 CB GLU A 26 14.684 15.219 38.775 1.00 0.00 C ATOM 407 CG GLU A 26 13.603 15.476 39.827 1.00 0.00 C ATOM 408 CD GLU A 26 14.195 15.349 41.226 1.00 0.00 C ATOM 409 OE1 GLU A 26 15.309 14.861 41.334 1.00 0.00 O ATOM 410 OE2 GLU A 26 13.527 15.741 42.168 1.00 0.00 O1- ATOM 0 H GLU A 26 13.278 13.337 38.052 1.00 0.00 H new ATOM 0 HA GLU A 26 13.395 16.038 37.256 1.00 0.00 H new ATOM 0 HB2 GLU A 26 15.193 14.278 38.984 1.00 0.00 H new ATOM 0 HB3 GLU A 26 15.438 16.005 38.814 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.181 16.472 39.691 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.787 14.764 39.703 1.00 0.00 H new ATOM 417 N ARG A 27 15.731 14.057 36.044 1.00 0.00 N ATOM 418 CA ARG A 27 16.790 13.967 35.045 1.00 0.00 C ATOM 419 C ARG A 27 17.928 14.928 35.383 1.00 0.00 C ATOM 420 O ARG A 27 18.613 15.431 34.492 1.00 0.00 O ATOM 421 CB ARG A 27 16.231 14.303 33.659 1.00 0.00 C ATOM 422 CG ARG A 27 15.100 13.332 33.315 1.00 0.00 C ATOM 423 CD ARG A 27 14.609 13.605 31.893 1.00 0.00 C ATOM 424 NE ARG A 27 15.637 13.241 30.924 1.00 0.00 N ATOM 425 CZ ARG A 27 15.811 11.979 30.548 1.00 0.00 C ATOM 426 NH1 ARG A 27 16.737 11.678 29.679 1.00 0.00 N1+ ATOM 427 NH2 ARG A 27 15.055 11.038 31.046 1.00 0.00 N ATOM 0 H ARG A 27 15.498 13.173 36.496 1.00 0.00 H new ATOM 0 HA ARG A 27 17.177 12.948 35.043 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.862 15.328 33.643 1.00 0.00 H new ATOM 0 HB3 ARG A 27 17.021 14.237 32.911 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.451 12.304 33.399 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.279 13.447 34.023 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.700 13.036 31.700 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.355 14.659 31.785 1.00 0.00 H new ATOM 0 HE ARG A 27 16.233 13.968 30.528 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.328 12.412 29.288 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.870 10.709 29.391 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.330 11.272 31.724 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.189 10.069 30.757 1.00 0.00 H new ATOM 441 N HIS A 28 18.124 15.176 36.675 1.00 0.00 N ATOM 442 CA HIS A 28 19.182 16.077 37.121 1.00 0.00 C ATOM 443 C HIS A 28 20.554 15.559 36.698 1.00 0.00 C ATOM 444 O HIS A 28 21.388 16.316 36.204 1.00 0.00 O ATOM 445 CB HIS A 28 19.135 16.224 38.644 1.00 0.00 C ATOM 446 CG HIS A 28 20.204 17.184 39.088 1.00 0.00 C ATOM 447 ND1 HIS A 28 21.483 16.763 39.419 1.00 0.00 N ATOM 448 CD2 HIS A 28 20.202 18.547 39.259 1.00 0.00 C ATOM 449 CE1 HIS A 28 22.191 17.853 39.771 1.00 0.00 C ATOM 450 NE2 HIS A 28 21.458 18.966 39.690 1.00 0.00 N ATOM 0 H HIS A 28 17.568 14.769 37.427 1.00 0.00 H new ATOM 0 HA HIS A 28 19.020 17.049 36.655 1.00 0.00 H new ATOM 0 HB2 HIS A 28 18.155 16.585 38.955 1.00 0.00 H new ATOM 0 HB3 HIS A 28 19.283 15.254 39.118 1.00 0.00 H new ATOM 0 HD2 HIS A 28 19.355 19.195 39.086 1.00 0.00 H new ATOM 0 HE1 HIS A 28 23.225 17.830 40.081 1.00 0.00 H new ATOM 0 HE2 HIS A 28 21.755 19.919 39.899 1.00 0.00 H new ATOM 458 N ASP A 29 20.785 14.265 36.904 1.00 0.00 N ATOM 459 CA ASP A 29 22.064 13.658 36.550 1.00 0.00 C ATOM 460 C ASP A 29 22.327 13.778 35.053 1.00 0.00 C ATOM 461 O ASP A 29 23.456 14.033 34.632 1.00 0.00 O ATOM 462 CB ASP A 29 22.069 12.182 36.952 1.00 0.00 C ATOM 463 CG ASP A 29 22.139 12.054 38.469 1.00 0.00 C ATOM 464 OD1 ASP A 29 22.426 13.048 39.117 1.00 0.00 O ATOM 465 OD2 ASP A 29 21.904 10.963 38.964 1.00 0.00 O1- ATOM 0 H ASP A 29 20.108 13.620 37.312 1.00 0.00 H new ATOM 0 HA ASP A 29 22.852 14.187 37.086 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.170 11.692 36.579 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.920 11.676 36.497 1.00 0.00 H new ATOM 470 N HIS A 30 21.285 13.593 34.252 1.00 0.00 N ATOM 471 CA HIS A 30 21.425 13.684 32.802 1.00 0.00 C ATOM 472 C HIS A 30 21.841 15.092 32.393 1.00 0.00 C ATOM 473 O HIS A 30 22.663 15.271 31.496 1.00 0.00 O ATOM 474 CB HIS A 30 20.102 13.327 32.122 1.00 0.00 C ATOM 475 CG HIS A 30 19.815 11.857 32.289 1.00 0.00 C ATOM 476 ND1 HIS A 30 18.625 11.289 31.861 1.00 0.00 N ATOM 477 CD2 HIS A 30 20.544 10.827 32.837 1.00 0.00 C ATOM 478 CE1 HIS A 30 18.672 9.976 32.154 1.00 0.00 C ATOM 479 NE2 HIS A 30 19.818 9.641 32.750 1.00 0.00 N ATOM 0 H HIS A 30 20.342 13.381 34.577 1.00 0.00 H new ATOM 0 HA HIS A 30 22.196 12.980 32.488 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.292 13.915 32.553 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.149 13.578 31.062 1.00 0.00 H new ATOM 0 HD2 HIS A 30 21.529 10.923 33.269 1.00 0.00 H new ATOM 0 HE1 HIS A 30 17.878 9.278 31.933 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.101 8.716 33.072 1.00 0.00 H new ATOM 487 N ASP A 31 21.268 16.090 33.058 1.00 0.00 N ATOM 488 CA ASP A 31 21.587 17.480 32.754 1.00 0.00 C ATOM 489 C ASP A 31 23.069 17.754 32.994 1.00 0.00 C ATOM 490 O ASP A 31 23.726 18.412 32.189 1.00 0.00 O ATOM 491 CB ASP A 31 20.747 18.414 33.629 1.00 0.00 C ATOM 492 CG ASP A 31 21.016 19.865 33.251 1.00 0.00 C ATOM 493 OD1 ASP A 31 21.921 20.094 32.465 1.00 0.00 O ATOM 494 OD2 ASP A 31 20.314 20.728 33.753 1.00 0.00 O1- ATOM 0 H ASP A 31 20.585 15.964 33.805 1.00 0.00 H new ATOM 0 HA ASP A 31 21.359 17.663 31.704 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.688 18.188 33.504 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.986 18.253 34.680 1.00 0.00 H new ATOM 499 N LYS A 32 23.588 17.241 34.105 1.00 0.00 N ATOM 500 CA LYS A 32 24.994 17.436 34.439 1.00 0.00 C ATOM 501 C LYS A 32 25.890 16.837 33.360 1.00 0.00 C ATOM 502 O LYS A 32 26.869 17.452 32.939 1.00 0.00 O ATOM 503 CB LYS A 32 25.306 16.781 35.786 1.00 0.00 C ATOM 504 CG LYS A 32 26.783 17.010 36.132 1.00 0.00 C ATOM 505 CD LYS A 32 27.063 16.631 37.593 1.00 0.00 C ATOM 506 CE LYS A 32 27.092 15.107 37.756 1.00 0.00 C ATOM 507 NZ LYS A 32 28.175 14.536 36.905 1.00 0.00 N1+ ATOM 0 H LYS A 32 23.061 16.692 34.784 1.00 0.00 H new ATOM 0 HA LYS A 32 25.188 18.507 34.502 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.669 17.202 36.564 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.092 15.713 35.742 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.413 16.416 35.470 1.00 0.00 H new ATOM 0 HG3 LYS A 32 27.043 18.056 35.966 1.00 0.00 H new ATOM 0 HD2 LYS A 32 28.016 17.055 37.908 1.00 0.00 H new ATOM 0 HD3 LYS A 32 26.295 17.057 38.239 1.00 0.00 H new ATOM 0 HE2 LYS A 32 27.260 14.846 38.801 1.00 0.00 H new ATOM 0 HE3 LYS A 32 26.129 14.682 37.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 28.495 13.633 37.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 27.812 14.375 35.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 28.974 15.201 36.867 1.00 0.00 H new ATOM 521 N ARG A 33 25.547 15.631 32.916 1.00 0.00 N ATOM 522 CA ARG A 33 26.329 14.958 31.885 1.00 0.00 C ATOM 523 C ARG A 33 26.340 15.780 30.600 1.00 0.00 C ATOM 524 O ARG A 33 27.382 15.940 29.963 1.00 0.00 O ATOM 525 CB ARG A 33 25.738 13.573 31.603 1.00 0.00 C ATOM 526 CG ARG A 33 26.586 12.858 30.548 1.00 0.00 C ATOM 527 CD ARG A 33 26.094 11.419 30.389 1.00 0.00 C ATOM 528 NE ARG A 33 26.357 10.659 31.605 1.00 0.00 N ATOM 529 CZ ARG A 33 25.950 9.399 31.730 1.00 0.00 C ATOM 530 NH1 ARG A 33 26.198 8.739 32.829 1.00 0.00 N1+ ATOM 531 NH2 ARG A 33 25.304 8.823 30.754 1.00 0.00 N ATOM 0 H ARG A 33 24.740 15.104 33.251 1.00 0.00 H new ATOM 0 HA ARG A 33 27.353 14.850 32.243 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.709 12.985 32.520 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.710 13.669 31.254 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.520 13.384 29.595 1.00 0.00 H new ATOM 0 HG3 ARG A 33 27.635 12.864 30.844 1.00 0.00 H new ATOM 0 HD2 ARG A 33 25.026 11.414 30.173 1.00 0.00 H new ATOM 0 HD3 ARG A 33 26.593 10.948 29.542 1.00 0.00 H new ATOM 0 HE ARG A 33 26.862 11.101 32.373 1.00 0.00 H new ATOM 0 HH11 ARG A 33 26.704 9.190 33.591 1.00 0.00 H new ATOM 0 HH12 ARG A 33 25.886 7.773 32.925 1.00 0.00 H new ATOM 0 HH21 ARG A 33 25.111 9.339 29.895 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.992 7.857 30.849 1.00 0.00 H new ATOM 545 N GLU A 34 25.176 16.301 30.225 1.00 0.00 N ATOM 546 CA GLU A 34 25.064 17.106 29.014 1.00 0.00 C ATOM 547 C GLU A 34 25.927 18.358 29.124 1.00 0.00 C ATOM 548 O GLU A 34 26.590 18.754 28.165 1.00 0.00 O ATOM 549 CB GLU A 34 23.602 17.507 28.788 1.00 0.00 C ATOM 550 CG GLU A 34 23.458 18.228 27.440 1.00 0.00 C ATOM 551 CD GLU A 34 23.907 19.683 27.560 1.00 0.00 C ATOM 552 OE1 GLU A 34 23.812 20.229 28.648 1.00 0.00 O ATOM 553 OE2 GLU A 34 24.342 20.231 26.561 1.00 0.00 O1- ATOM 0 H GLU A 34 24.303 16.181 30.738 1.00 0.00 H new ATOM 0 HA GLU A 34 25.412 16.512 28.169 1.00 0.00 H new ATOM 0 HB2 GLU A 34 22.966 16.622 28.806 1.00 0.00 H new ATOM 0 HB3 GLU A 34 23.266 18.157 29.595 1.00 0.00 H new ATOM 0 HG2 GLU A 34 24.054 17.719 26.683 1.00 0.00 H new ATOM 0 HG3 GLU A 34 22.420 18.188 27.109 1.00 0.00 H new ATOM 560 N ALA A 35 25.914 18.980 30.299 1.00 0.00 N ATOM 561 CA ALA A 35 26.699 20.188 30.522 1.00 0.00 C ATOM 562 C ALA A 35 28.186 19.903 30.340 1.00 0.00 C ATOM 563 O ALA A 35 28.919 20.715 29.774 1.00 0.00 O ATOM 564 CB ALA A 35 26.449 20.719 31.936 1.00 0.00 C ATOM 0 H ALA A 35 25.372 18.670 31.106 1.00 0.00 H new ATOM 0 HA ALA A 35 26.393 20.937 29.792 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.039 21.622 32.095 1.00 0.00 H new ATOM 0 HB2 ALA A 35 25.391 20.951 32.056 1.00 0.00 H new ATOM 0 HB3 ALA A 35 26.739 19.963 32.665 1.00 0.00 H new ATOM 570 N GLU A 36 28.625 18.744 30.822 1.00 0.00 N ATOM 571 CA GLU A 36 30.028 18.364 30.705 1.00 0.00 C ATOM 572 C GLU A 36 30.431 18.261 29.237 1.00 0.00 C ATOM 573 O GLU A 36 31.508 18.708 28.845 1.00 0.00 O ATOM 574 CB GLU A 36 30.264 17.022 31.404 1.00 0.00 C ATOM 575 CG GLU A 36 31.749 16.654 31.335 1.00 0.00 C ATOM 576 CD GLU A 36 31.999 15.353 32.091 1.00 0.00 C ATOM 577 OE1 GLU A 36 31.045 14.806 32.619 1.00 0.00 O ATOM 578 OE2 GLU A 36 33.139 14.925 32.131 1.00 0.00 O1- ATOM 0 H GLU A 36 28.035 18.058 31.293 1.00 0.00 H new ATOM 0 HA GLU A 36 30.638 19.131 31.182 1.00 0.00 H new ATOM 0 HB2 GLU A 36 29.943 17.082 32.444 1.00 0.00 H new ATOM 0 HB3 GLU A 36 29.665 16.244 30.930 1.00 0.00 H new ATOM 0 HG2 GLU A 36 32.057 16.545 30.295 1.00 0.00 H new ATOM 0 HG3 GLU A 36 32.351 17.455 31.764 1.00 0.00 H new ATOM 585 N ARG A 37 29.557 17.666 28.430 1.00 0.00 N ATOM 586 CA ARG A 37 29.832 17.509 27.007 1.00 0.00 C ATOM 587 C ARG A 37 30.007 18.872 26.342 1.00 0.00 C ATOM 588 O ARG A 37 30.922 19.071 25.543 1.00 0.00 O ATOM 589 CB ARG A 37 28.684 16.752 26.334 1.00 0.00 C ATOM 590 CG ARG A 37 28.998 16.560 24.848 1.00 0.00 C ATOM 591 CD ARG A 37 27.935 15.660 24.215 1.00 0.00 C ATOM 592 NE ARG A 37 28.029 14.309 24.756 1.00 0.00 N ATOM 593 CZ ARG A 37 27.159 13.368 24.410 1.00 0.00 C ATOM 594 NH1 ARG A 37 27.265 12.166 24.908 1.00 0.00 N1+ ATOM 595 NH2 ARG A 37 26.198 13.644 23.570 1.00 0.00 N ATOM 0 H ARG A 37 28.660 17.288 28.735 1.00 0.00 H new ATOM 0 HA ARG A 37 30.756 16.942 26.894 1.00 0.00 H new ATOM 0 HB2 ARG A 37 28.542 15.784 26.814 1.00 0.00 H new ATOM 0 HB3 ARG A 37 27.752 17.305 26.451 1.00 0.00 H new ATOM 0 HG2 ARG A 37 29.021 17.525 24.342 1.00 0.00 H new ATOM 0 HG3 ARG A 37 29.985 16.114 24.728 1.00 0.00 H new ATOM 0 HD2 ARG A 37 26.942 16.068 24.407 1.00 0.00 H new ATOM 0 HD3 ARG A 37 28.066 15.636 23.133 1.00 0.00 H new ATOM 0 HE ARG A 37 28.777 14.083 25.412 1.00 0.00 H new ATOM 0 HH11 ARG A 37 28.016 11.950 25.563 1.00 0.00 H new ATOM 0 HH12 ARG A 37 26.596 11.443 24.642 1.00 0.00 H new ATOM 0 HH21 ARG A 37 26.116 14.583 23.180 1.00 0.00 H new ATOM 0 HH22 ARG A 37 25.530 12.921 23.304 1.00 0.00 H new ATOM 609 N LYS A 38 29.125 19.807 26.682 1.00 0.00 N ATOM 610 CA LYS A 38 29.193 21.148 26.112 1.00 0.00 C ATOM 611 C LYS A 38 30.520 21.808 26.471 1.00 0.00 C ATOM 612 O LYS A 38 31.163 22.432 25.627 1.00 0.00 O ATOM 613 CB LYS A 38 28.030 21.995 26.640 1.00 0.00 C ATOM 614 CG LYS A 38 28.075 23.392 26.011 1.00 0.00 C ATOM 615 CD LYS A 38 26.880 24.212 26.506 1.00 0.00 C ATOM 616 CE LYS A 38 26.909 25.598 25.860 1.00 0.00 C ATOM 617 NZ LYS A 38 28.138 26.321 26.294 1.00 0.00 N1+ ATOM 0 H LYS A 38 28.362 19.663 27.343 1.00 0.00 H new ATOM 0 HA LYS A 38 29.121 21.074 25.027 1.00 0.00 H new ATOM 0 HB2 LYS A 38 27.081 21.512 26.406 1.00 0.00 H new ATOM 0 HB3 LYS A 38 28.089 22.073 27.726 1.00 0.00 H new ATOM 0 HG2 LYS A 38 29.007 23.892 26.275 1.00 0.00 H new ATOM 0 HG3 LYS A 38 28.051 23.314 24.924 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.949 23.703 26.258 1.00 0.00 H new ATOM 0 HD3 LYS A 38 26.914 24.304 27.592 1.00 0.00 H new ATOM 0 HE2 LYS A 38 26.893 25.506 24.774 1.00 0.00 H new ATOM 0 HE3 LYS A 38 26.022 26.163 26.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 28.009 27.343 26.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 28.314 26.132 27.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 28.950 25.993 25.733 1.00 0.00 H new ATOM 631 N ALA A 39 30.924 21.666 27.730 1.00 0.00 N ATOM 632 CA ALA A 39 32.177 22.251 28.190 1.00 0.00 C ATOM 633 C ALA A 39 33.357 21.669 27.418 1.00 0.00 C ATOM 634 O ALA A 39 34.294 22.384 27.066 1.00 0.00 O ATOM 635 CB ALA A 39 32.361 21.983 29.686 1.00 0.00 C ATOM 0 H ALA A 39 30.406 21.155 28.444 1.00 0.00 H new ATOM 0 HA ALA A 39 32.139 23.326 28.015 1.00 0.00 H new ATOM 0 HB1 ALA A 39 33.300 22.423 30.022 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.533 22.427 30.240 1.00 0.00 H new ATOM 0 HB3 ALA A 39 32.381 20.908 29.863 1.00 0.00 H new ATOM 641 N LEU A 40 33.301 20.367 27.161 1.00 0.00 N ATOM 642 CA LEU A 40 34.372 19.697 26.431 1.00 0.00 C ATOM 643 C LEU A 40 34.514 20.293 25.032 1.00 0.00 C ATOM 644 O LEU A 40 35.624 20.556 24.569 1.00 0.00 O ATOM 645 CB LEU A 40 34.073 18.195 26.336 1.00 0.00 C ATOM 646 CG LEU A 40 35.182 17.467 25.558 1.00 0.00 C ATOM 647 CD1 LEU A 40 36.534 17.644 26.269 1.00 0.00 C ATOM 648 CD2 LEU A 40 34.834 15.976 25.481 1.00 0.00 C ATOM 0 H LEU A 40 32.533 19.758 27.444 1.00 0.00 H new ATOM 0 HA LEU A 40 35.310 19.842 26.967 1.00 0.00 H new ATOM 0 HB2 LEU A 40 33.987 17.772 27.337 1.00 0.00 H new ATOM 0 HB3 LEU A 40 33.114 18.041 25.841 1.00 0.00 H new ATOM 0 HG LEU A 40 35.257 17.887 24.555 1.00 0.00 H new ATOM 0 HD11 LEU A 40 37.311 17.124 25.708 1.00 0.00 H new ATOM 0 HD12 LEU A 40 36.778 18.705 26.328 1.00 0.00 H new ATOM 0 HD13 LEU A 40 36.473 17.229 27.275 1.00 0.00 H new ATOM 0 HD21 LEU A 40 35.613 15.448 24.931 1.00 0.00 H new ATOM 0 HD22 LEU A 40 34.760 15.567 26.489 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.880 15.851 24.968 1.00 0.00 H new ATOM 660 N GLU A 41 33.384 20.502 24.365 1.00 0.00 N ATOM 661 CA GLU A 41 33.397 21.066 23.019 1.00 0.00 C ATOM 662 C GLU A 41 33.978 22.476 23.037 1.00 0.00 C ATOM 663 O GLU A 41 34.731 22.860 22.143 1.00 0.00 O ATOM 664 CB GLU A 41 31.976 21.105 22.454 1.00 0.00 C ATOM 665 CG GLU A 41 31.478 19.677 22.219 1.00 0.00 C ATOM 666 CD GLU A 41 32.251 19.036 21.070 1.00 0.00 C ATOM 667 OE1 GLU A 41 32.867 19.770 20.313 1.00 0.00 O ATOM 668 OE2 GLU A 41 32.216 17.821 20.964 1.00 0.00 O1- ATOM 0 H GLU A 41 32.455 20.292 24.730 1.00 0.00 H new ATOM 0 HA GLU A 41 34.021 20.435 22.386 1.00 0.00 H new ATOM 0 HB2 GLU A 41 31.313 21.623 23.146 1.00 0.00 H new ATOM 0 HB3 GLU A 41 31.961 21.665 21.519 1.00 0.00 H new ATOM 0 HG2 GLU A 41 31.603 19.086 23.126 1.00 0.00 H new ATOM 0 HG3 GLU A 41 30.412 19.688 21.990 1.00 0.00 H new ATOM 675 N ASP A 42 33.623 23.245 24.065 1.00 0.00 N ATOM 676 CA ASP A 42 34.113 24.616 24.199 1.00 0.00 C ATOM 677 C ASP A 42 35.423 24.637 24.985 1.00 0.00 C ATOM 678 O ASP A 42 36.073 23.603 25.137 1.00 0.00 O ATOM 679 CB ASP A 42 33.063 25.478 24.911 1.00 0.00 C ATOM 680 CG ASP A 42 33.326 26.961 24.655 1.00 0.00 C ATOM 681 OD1 ASP A 42 34.244 27.261 23.911 1.00 0.00 O ATOM 682 OD2 ASP A 42 32.602 27.773 25.206 1.00 0.00 O1- ATOM 0 H ASP A 42 33.000 22.944 24.815 1.00 0.00 H new ATOM 0 HA ASP A 42 34.295 25.022 23.204 1.00 0.00 H new ATOM 0 HB2 ASP A 42 32.066 25.213 24.558 1.00 0.00 H new ATOM 0 HB3 ASP A 42 33.085 25.278 25.982 1.00 0.00 H new ATOM 687 N LYS A 43 35.813 25.821 25.465 1.00 0.00 N ATOM 688 CA LYS A 43 37.054 25.978 26.223 1.00 0.00 C ATOM 689 C LYS A 43 38.271 25.597 25.378 1.00 0.00 C ATOM 690 O LYS A 43 39.403 25.935 25.728 1.00 0.00 O ATOM 691 CB LYS A 43 37.018 25.133 27.501 1.00 0.00 C ATOM 692 CG LYS A 43 35.910 25.649 28.422 1.00 0.00 C ATOM 693 CD LYS A 43 35.879 24.811 29.701 1.00 0.00 C ATOM 694 CE LYS A 43 34.795 25.350 30.637 1.00 0.00 C ATOM 695 NZ LYS A 43 33.462 25.209 29.987 1.00 0.00 N1+ ATOM 0 H LYS A 43 35.285 26.685 25.341 1.00 0.00 H new ATOM 0 HA LYS A 43 37.143 27.029 26.497 1.00 0.00 H new ATOM 0 HB2 LYS A 43 36.842 24.086 27.253 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.981 25.182 28.010 1.00 0.00 H new ATOM 0 HG2 LYS A 43 36.083 26.697 28.665 1.00 0.00 H new ATOM 0 HG3 LYS A 43 34.946 25.595 27.915 1.00 0.00 H new ATOM 0 HD2 LYS A 43 35.680 23.767 29.460 1.00 0.00 H new ATOM 0 HD3 LYS A 43 36.850 24.845 30.194 1.00 0.00 H new ATOM 0 HE2 LYS A 43 34.811 24.805 31.581 1.00 0.00 H new ATOM 0 HE3 LYS A 43 34.989 26.397 30.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 32.745 24.992 30.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 33.213 26.098 29.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 33.496 24.438 29.290 1.00 0.00 H new ATOM 709 N LEU A 44 38.039 24.911 24.261 1.00 0.00 N ATOM 710 CA LEU A 44 39.132 24.521 23.381 1.00 0.00 C ATOM 711 C LEU A 44 39.767 25.763 22.772 1.00 0.00 C ATOM 712 O LEU A 44 40.985 25.841 22.615 1.00 0.00 O ATOM 713 CB LEU A 44 38.616 23.610 22.263 1.00 0.00 C ATOM 714 CG LEU A 44 38.174 22.255 22.842 1.00 0.00 C ATOM 715 CD1 LEU A 44 37.486 21.439 21.741 1.00 0.00 C ATOM 716 CD2 LEU A 44 39.390 21.476 23.383 1.00 0.00 C ATOM 0 H LEU A 44 37.114 24.617 23.948 1.00 0.00 H new ATOM 0 HA LEU A 44 39.876 23.978 23.965 1.00 0.00 H new ATOM 0 HB2 LEU A 44 37.778 24.086 21.753 1.00 0.00 H new ATOM 0 HB3 LEU A 44 39.397 23.458 21.518 1.00 0.00 H new ATOM 0 HG LEU A 44 37.480 22.428 23.665 1.00 0.00 H new ATOM 0 HD11 LEU A 44 37.170 20.477 22.145 1.00 0.00 H new ATOM 0 HD12 LEU A 44 36.615 21.983 21.375 1.00 0.00 H new ATOM 0 HD13 LEU A 44 38.183 21.276 20.919 1.00 0.00 H new ATOM 0 HD21 LEU A 44 39.059 20.520 23.789 1.00 0.00 H new ATOM 0 HD22 LEU A 44 40.099 21.301 22.574 1.00 0.00 H new ATOM 0 HD23 LEU A 44 39.873 22.056 24.169 1.00 0.00 H new ATOM 728 N ALA A 45 38.924 26.733 22.432 1.00 0.00 N ATOM 729 CA ALA A 45 39.403 27.975 21.838 1.00 0.00 C ATOM 730 C ALA A 45 40.347 28.699 22.793 1.00 0.00 C ATOM 731 O ALA A 45 41.358 29.261 22.375 1.00 0.00 O ATOM 732 CB ALA A 45 38.220 28.885 21.501 1.00 0.00 C ATOM 0 H ALA A 45 37.913 26.684 22.557 1.00 0.00 H new ATOM 0 HA ALA A 45 39.945 27.731 20.925 1.00 0.00 H new ATOM 0 HB1 ALA A 45 38.588 29.810 21.058 1.00 0.00 H new ATOM 0 HB2 ALA A 45 37.562 28.380 20.793 1.00 0.00 H new ATOM 0 HB3 ALA A 45 37.666 29.114 22.411 1.00 0.00 H new ATOM 738 N ASP A 46 40.010 28.680 24.080 1.00 0.00 N ATOM 739 CA ASP A 46 40.835 29.339 25.090 1.00 0.00 C ATOM 740 C ASP A 46 41.959 28.415 25.550 1.00 0.00 C ATOM 741 O ASP A 46 41.727 27.454 26.283 1.00 0.00 O ATOM 742 CB ASP A 46 39.972 29.729 26.293 1.00 0.00 C ATOM 743 CG ASP A 46 40.821 30.457 27.330 1.00 0.00 C ATOM 744 OD1 ASP A 46 42.025 30.522 27.140 1.00 0.00 O ATOM 745 OD2 ASP A 46 40.256 30.935 28.299 1.00 0.00 O1- ATOM 0 H ASP A 46 39.177 28.219 24.447 1.00 0.00 H new ATOM 0 HA ASP A 46 41.272 30.234 24.648 1.00 0.00 H new ATOM 0 HB2 ASP A 46 39.151 30.368 25.970 1.00 0.00 H new ATOM 0 HB3 ASP A 46 39.527 28.838 26.736 1.00 0.00 H new ATOM 750 N LYS A 47 43.178 28.715 25.113 1.00 0.00 N ATOM 751 CA LYS A 47 44.334 27.907 25.484 1.00 0.00 C ATOM 752 C LYS A 47 44.561 27.959 26.992 1.00 0.00 C ATOM 753 O LYS A 47 44.563 29.034 27.592 1.00 0.00 O ATOM 754 CB LYS A 47 45.580 28.414 24.754 1.00 0.00 C ATOM 755 CG LYS A 47 46.779 27.522 25.086 1.00 0.00 C ATOM 756 CD LYS A 47 48.010 28.015 24.322 1.00 0.00 C ATOM 757 CE LYS A 47 49.210 27.126 24.656 1.00 0.00 C ATOM 758 NZ LYS A 47 50.405 27.601 23.903 1.00 0.00 N1+ ATOM 0 H LYS A 47 43.390 29.506 24.506 1.00 0.00 H new ATOM 0 HA LYS A 47 44.143 26.874 25.195 1.00 0.00 H new ATOM 0 HB2 LYS A 47 45.405 28.417 23.678 1.00 0.00 H new ATOM 0 HB3 LYS A 47 45.790 29.443 25.046 1.00 0.00 H new ATOM 0 HG2 LYS A 47 46.973 27.539 26.159 1.00 0.00 H new ATOM 0 HG3 LYS A 47 46.562 26.488 24.818 1.00 0.00 H new ATOM 0 HD2 LYS A 47 47.817 27.995 23.249 1.00 0.00 H new ATOM 0 HD3 LYS A 47 48.226 29.050 24.588 1.00 0.00 H new ATOM 0 HE2 LYS A 47 49.408 27.152 25.728 1.00 0.00 H new ATOM 0 HE3 LYS A 47 48.992 26.090 24.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 51.221 26.997 24.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 50.213 27.555 22.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 50.616 28.583 24.171 1.00 0.00 H new ATOM 772 N GLN A 48 44.752 26.789 27.598 1.00 0.00 N ATOM 773 CA GLN A 48 44.982 26.703 29.041 1.00 0.00 C ATOM 774 C GLN A 48 45.929 25.549 29.356 1.00 0.00 C ATOM 775 O GLN A 48 45.821 24.467 28.779 1.00 0.00 O ATOM 776 CB GLN A 48 43.649 26.489 29.769 1.00 0.00 C ATOM 777 CG GLN A 48 43.855 26.571 31.286 1.00 0.00 C ATOM 778 CD GLN A 48 44.327 27.967 31.686 1.00 0.00 C ATOM 779 OE1 GLN A 48 43.664 28.959 31.378 1.00 0.00 O ATOM 780 NE2 GLN A 48 45.436 28.103 32.358 1.00 0.00 N ATOM 0 H GLN A 48 44.752 25.890 27.116 1.00 0.00 H new ATOM 0 HA GLN A 48 45.434 27.635 29.380 1.00 0.00 H new ATOM 0 HB2 GLN A 48 42.928 27.242 29.451 1.00 0.00 H new ATOM 0 HB3 GLN A 48 43.233 25.517 29.503 1.00 0.00 H new ATOM 0 HG2 GLN A 48 42.923 26.335 31.799 1.00 0.00 H new ATOM 0 HG3 GLN A 48 44.589 25.829 31.600 1.00 0.00 H new ATOM 0 HE21 GLN A 48 45.983 27.280 32.612 1.00 0.00 H new ATOM 0 HE22 GLN A 48 45.757 29.032 32.630 1.00 0.00 H new ATOM 789 N GLU A 49 46.864 25.787 30.272 1.00 0.00 N ATOM 790 CA GLU A 49 47.830 24.760 30.650 1.00 0.00 C ATOM 791 C GLU A 49 47.122 23.553 31.259 1.00 0.00 C ATOM 792 O GLU A 49 47.494 22.409 31.003 1.00 0.00 O ATOM 793 CB GLU A 49 48.827 25.331 31.659 1.00 0.00 C ATOM 794 CG GLU A 49 49.742 26.339 30.962 1.00 0.00 C ATOM 795 CD GLU A 49 50.623 27.041 31.990 1.00 0.00 C ATOM 796 OE1 GLU A 49 50.350 26.898 33.170 1.00 0.00 O ATOM 797 OE2 GLU A 49 51.557 27.712 31.582 1.00 0.00 O1- ATOM 0 H GLU A 49 46.973 26.675 30.763 1.00 0.00 H new ATOM 0 HA GLU A 49 48.361 24.439 29.754 1.00 0.00 H new ATOM 0 HB2 GLU A 49 48.294 25.814 32.478 1.00 0.00 H new ATOM 0 HB3 GLU A 49 49.420 24.527 32.094 1.00 0.00 H new ATOM 0 HG2 GLU A 49 50.363 25.830 30.225 1.00 0.00 H new ATOM 0 HG3 GLU A 49 49.144 27.073 30.422 1.00 0.00 H new ATOM 804 N HIS A 50 46.105 23.818 32.073 1.00 0.00 N ATOM 805 CA HIS A 50 45.357 22.744 32.717 1.00 0.00 C ATOM 806 C HIS A 50 44.717 21.829 31.675 1.00 0.00 C ATOM 807 O HIS A 50 44.820 20.606 31.766 1.00 0.00 O ATOM 808 CB HIS A 50 44.269 23.335 33.616 1.00 0.00 C ATOM 809 CG HIS A 50 43.466 22.223 34.233 1.00 0.00 C ATOM 810 ND1 HIS A 50 43.977 21.406 35.229 1.00 0.00 N ATOM 811 CD2 HIS A 50 42.185 21.781 34.006 1.00 0.00 C ATOM 812 CE1 HIS A 50 43.017 20.522 35.562 1.00 0.00 C ATOM 813 NE2 HIS A 50 41.905 20.707 34.846 1.00 0.00 N ATOM 0 H HIS A 50 45.782 24.758 32.301 1.00 0.00 H new ATOM 0 HA HIS A 50 46.050 22.156 33.319 1.00 0.00 H new ATOM 0 HB2 HIS A 50 44.721 23.947 34.396 1.00 0.00 H new ATOM 0 HB3 HIS A 50 43.618 23.988 33.035 1.00 0.00 H new ATOM 0 HD2 HIS A 50 41.500 22.203 33.286 1.00 0.00 H new ATOM 0 HE1 HIS A 50 43.132 19.757 36.316 1.00 0.00 H new ATOM 0 HE2 HIS A 50 41.036 20.175 34.903 1.00 0.00 H new ATOM 821 N LEU A 51 44.063 22.428 30.685 1.00 0.00 N ATOM 822 CA LEU A 51 43.418 21.647 29.632 1.00 0.00 C ATOM 823 C LEU A 51 44.458 20.872 28.830 1.00 0.00 C ATOM 824 O LEU A 51 44.236 19.720 28.458 1.00 0.00 O ATOM 825 CB LEU A 51 42.620 22.561 28.692 1.00 0.00 C ATOM 826 CG LEU A 51 41.376 23.121 29.407 1.00 0.00 C ATOM 827 CD1 LEU A 51 40.719 24.185 28.517 1.00 0.00 C ATOM 828 CD2 LEU A 51 40.362 21.990 29.692 1.00 0.00 C ATOM 0 H LEU A 51 43.965 23.439 30.588 1.00 0.00 H new ATOM 0 HA LEU A 51 42.734 20.942 30.105 1.00 0.00 H new ATOM 0 HB2 LEU A 51 43.251 23.382 28.352 1.00 0.00 H new ATOM 0 HB3 LEU A 51 42.317 22.004 27.805 1.00 0.00 H new ATOM 0 HG LEU A 51 41.681 23.564 30.355 1.00 0.00 H new ATOM 0 HD11 LEU A 51 39.838 24.585 29.018 1.00 0.00 H new ATOM 0 HD12 LEU A 51 41.428 24.992 28.331 1.00 0.00 H new ATOM 0 HD13 LEU A 51 40.424 23.735 27.569 1.00 0.00 H new ATOM 0 HD21 LEU A 51 39.489 22.403 30.198 1.00 0.00 H new ATOM 0 HD22 LEU A 51 40.054 21.532 28.752 1.00 0.00 H new ATOM 0 HD23 LEU A 51 40.827 21.236 30.328 1.00 0.00 H new ATOM 840 N ASP A 52 45.593 21.511 28.566 1.00 0.00 N ATOM 841 CA ASP A 52 46.660 20.867 27.807 1.00 0.00 C ATOM 842 C ASP A 52 47.163 19.626 28.538 1.00 0.00 C ATOM 843 O ASP A 52 47.380 18.580 27.928 1.00 0.00 O ATOM 844 CB ASP A 52 47.818 21.845 27.601 1.00 0.00 C ATOM 845 CG ASP A 52 48.896 21.202 26.735 1.00 0.00 C ATOM 846 OD1 ASP A 52 48.779 20.018 26.462 1.00 0.00 O ATOM 847 OD2 ASP A 52 49.821 21.902 26.359 1.00 0.00 O1- ATOM 0 H ASP A 52 45.797 22.465 28.863 1.00 0.00 H new ATOM 0 HA ASP A 52 46.261 20.567 26.838 1.00 0.00 H new ATOM 0 HB2 ASP A 52 47.455 22.757 27.127 1.00 0.00 H new ATOM 0 HB3 ASP A 52 48.238 22.133 28.565 1.00 0.00 H new ATOM 852 N GLY A 53 47.345 19.752 29.848 1.00 0.00 N ATOM 853 CA GLY A 53 47.822 18.636 30.657 1.00 0.00 C ATOM 854 C GLY A 53 49.339 18.510 30.571 1.00 0.00 C ATOM 855 O GLY A 53 49.932 17.614 31.172 1.00 0.00 O ATOM 0 H GLY A 53 47.171 20.611 30.370 1.00 0.00 H new ATOM 0 HA2 GLY A 53 47.524 18.781 31.695 1.00 0.00 H new ATOM 0 HA3 GLY A 53 47.357 17.711 30.318 1.00 0.00 H new ATOM 859 N ALA A 54 49.961 19.416 29.823 1.00 0.00 N ATOM 860 CA ALA A 54 51.412 19.396 29.668 1.00 0.00 C ATOM 861 C ALA A 54 52.095 19.715 30.994 1.00 0.00 C ATOM 862 O ALA A 54 51.630 20.564 31.752 1.00 0.00 O ATOM 863 CB ALA A 54 51.839 20.418 28.612 1.00 0.00 C ATOM 0 H ALA A 54 49.489 20.167 29.319 1.00 0.00 H new ATOM 0 HA ALA A 54 51.712 18.398 29.348 1.00 0.00 H new ATOM 0 HB1 ALA A 54 52.923 20.397 28.503 1.00 0.00 H new ATOM 0 HB2 ALA A 54 51.373 20.172 27.658 1.00 0.00 H new ATOM 0 HB3 ALA A 54 51.525 21.415 28.922 1.00 0.00 H new ATOM 869 N LEU A 55 53.204 19.028 31.265 1.00 0.00 N ATOM 870 CA LEU A 55 53.957 19.241 32.507 1.00 0.00 C ATOM 871 C LEU A 55 55.253 20.003 32.211 1.00 0.00 C ATOM 872 O LEU A 55 55.481 20.425 31.078 1.00 0.00 O ATOM 873 CB LEU A 55 54.295 17.893 33.149 1.00 0.00 C ATOM 874 CG LEU A 55 53.012 17.081 33.373 1.00 0.00 C ATOM 875 CD1 LEU A 55 53.378 15.720 33.973 1.00 0.00 C ATOM 876 CD2 LEU A 55 52.071 17.832 34.332 1.00 0.00 C ATOM 0 H LEU A 55 53.602 18.322 30.646 1.00 0.00 H new ATOM 0 HA LEU A 55 53.344 19.826 33.193 1.00 0.00 H new ATOM 0 HB2 LEU A 55 54.979 17.337 32.508 1.00 0.00 H new ATOM 0 HB3 LEU A 55 54.805 18.051 34.099 1.00 0.00 H new ATOM 0 HG LEU A 55 52.503 16.940 32.419 1.00 0.00 H new ATOM 0 HD11 LEU A 55 52.471 15.138 34.135 1.00 0.00 H new ATOM 0 HD12 LEU A 55 54.035 15.185 33.287 1.00 0.00 H new ATOM 0 HD13 LEU A 55 53.889 15.867 34.924 1.00 0.00 H new ATOM 0 HD21 LEU A 55 51.164 17.247 34.484 1.00 0.00 H new ATOM 0 HD22 LEU A 55 52.571 17.982 35.289 1.00 0.00 H new ATOM 0 HD23 LEU A 55 51.811 18.800 33.903 1.00 0.00 H new ATOM 888 N ARG A 56 56.103 20.177 33.228 1.00 0.00 N ATOM 889 CA ARG A 56 57.362 20.887 33.037 1.00 0.00 C ATOM 890 C ARG A 56 57.108 22.251 32.403 1.00 0.00 C ATOM 891 O ARG A 56 57.878 22.705 31.557 1.00 0.00 O ATOM 892 CB ARG A 56 58.291 20.072 32.128 1.00 0.00 C ATOM 893 CG ARG A 56 58.533 18.666 32.704 1.00 0.00 C ATOM 894 CD ARG A 56 59.441 18.726 33.940 1.00 0.00 C ATOM 895 NE ARG A 56 59.775 17.373 34.378 1.00 0.00 N ATOM 896 CZ ARG A 56 58.970 16.689 35.190 1.00 0.00 C ATOM 897 NH1 ARG A 56 59.295 15.481 35.564 1.00 0.00 N1+ ATOM 898 NH2 ARG A 56 57.858 17.226 35.609 1.00 0.00 N ATOM 0 H ARG A 56 55.942 19.840 34.177 1.00 0.00 H new ATOM 0 HA ARG A 56 57.833 21.025 34.010 1.00 0.00 H new ATOM 0 HB2 ARG A 56 57.853 19.991 31.133 1.00 0.00 H new ATOM 0 HB3 ARG A 56 59.243 20.591 32.015 1.00 0.00 H new ATOM 0 HG2 ARG A 56 57.580 18.209 32.971 1.00 0.00 H new ATOM 0 HG3 ARG A 56 58.989 18.031 31.944 1.00 0.00 H new ATOM 0 HD2 ARG A 56 60.352 19.277 33.706 1.00 0.00 H new ATOM 0 HD3 ARG A 56 58.940 19.265 34.744 1.00 0.00 H new ATOM 0 HE ARG A 56 60.642 16.943 34.056 1.00 0.00 H new ATOM 0 HH11 ARG A 56 60.165 15.062 35.235 1.00 0.00 H new ATOM 0 HH12 ARG A 56 58.679 14.957 36.186 1.00 0.00 H new ATOM 0 HH21 ARG A 56 57.605 18.169 35.315 1.00 0.00 H new ATOM 0 HH22 ARG A 56 57.241 16.703 36.231 1.00 0.00 H new ATOM 912 N TYR A 57 56.025 22.900 32.817 1.00 0.00 N ATOM 913 CA TYR A 57 55.680 24.212 32.281 1.00 0.00 C ATOM 914 C TYR A 57 54.480 24.794 33.023 1.00 0.00 C ATOM 915 O TYR A 57 53.740 24.020 33.610 1.00 0.00 O ATOM 916 CB TYR A 57 55.358 24.100 30.789 1.00 0.00 C ATOM 917 CG TYR A 57 54.913 25.444 30.261 1.00 0.00 C ATOM 918 CD1 TYR A 57 55.863 26.442 30.002 1.00 0.00 C ATOM 919 CD2 TYR A 57 53.555 25.695 30.029 1.00 0.00 C ATOM 920 CE1 TYR A 57 55.454 27.688 29.513 1.00 0.00 C ATOM 921 CE2 TYR A 57 53.146 26.942 29.539 1.00 0.00 C ATOM 922 CZ TYR A 57 54.096 27.938 29.281 1.00 0.00 C ATOM 923 OH TYR A 57 53.693 29.166 28.798 1.00 0.00 O ATOM 924 OXT TYR A 57 54.318 26.002 32.994 1.00 0.00 O ATOM 0 H TYR A 57 55.375 22.542 33.517 1.00 0.00 H new ATOM 0 HA TYR A 57 56.534 24.876 32.417 1.00 0.00 H new ATOM 0 HB2 TYR A 57 56.236 23.757 30.242 1.00 0.00 H new ATOM 0 HB3 TYR A 57 54.574 23.359 30.631 1.00 0.00 H new ATOM 0 HD1 TYR A 57 56.911 26.249 30.180 1.00 0.00 H new ATOM 0 HD2 TYR A 57 52.823 24.927 30.228 1.00 0.00 H new ATOM 0 HE1 TYR A 57 56.186 28.457 29.315 1.00 0.00 H new ATOM 0 HE2 TYR A 57 52.099 27.135 29.360 1.00 0.00 H new ATOM 0 HH TYR A 57 52.719 29.172 28.692 1.00 0.00 H new TER 934 TYR A 57