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 Set 1.1: A 24 ASN : amide:sc= -5.73! C(o=-12!,f=-27!) USER MOD Set 1.2: A 28 HIS : no HE2:sc= -6.34! C(o=-12!,f=-18!) USER MOD Set 2.1: A 1 GLY N :NH3+ -149:sc= 0.432 (180deg=0) USER MOD Set 2.2: A 6 GLN : amide:sc= -1.86! C(o=-1.4!,f=-4.5!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.151) USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= -0.0554 (180deg=-0.487) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -0.055 (180deg=-0.519) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= 0.193 K(o=0.19,f=-1.5) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.940 20.007 75.395 1.00 0.00 N ATOM 2 CA GLY A 1 11.350 20.027 76.828 1.00 0.00 C ATOM 3 C GLY A 1 12.419 18.968 77.067 1.00 0.00 C ATOM 4 O GLY A 1 12.984 18.418 76.121 1.00 0.00 O ATOM 0 H1 GLY A 1 10.660 20.964 75.101 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.737 19.684 74.810 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.136 19.358 75.273 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.734 21.012 77.094 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.487 19.838 77.467 1.00 0.00 H new ATOM 10 N SER A 2 12.694 18.686 78.336 1.00 0.00 N ATOM 11 CA SER A 2 13.699 17.690 78.687 1.00 0.00 C ATOM 12 C SER A 2 13.280 16.309 78.194 1.00 0.00 C ATOM 13 O SER A 2 14.118 15.430 77.993 1.00 0.00 O ATOM 14 CB SER A 2 13.891 17.654 80.204 1.00 0.00 C ATOM 15 OG SER A 2 12.687 17.215 80.819 1.00 0.00 O ATOM 0 H SER A 2 12.238 19.130 79.134 1.00 0.00 H new ATOM 0 HA SER A 2 14.638 17.965 78.208 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.711 16.984 80.463 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.161 18.644 80.572 1.00 0.00 H new ATOM 0 HG SER A 2 12.807 17.189 81.791 1.00 0.00 H new ATOM 21 N ALA A 3 11.978 16.126 77.998 1.00 0.00 N ATOM 22 CA ALA A 3 11.459 14.848 77.527 1.00 0.00 C ATOM 23 C ALA A 3 12.028 14.512 76.153 1.00 0.00 C ATOM 24 O ALA A 3 12.364 13.361 75.874 1.00 0.00 O ATOM 25 CB ALA A 3 9.931 14.901 77.452 1.00 0.00 C ATOM 0 H ALA A 3 11.268 16.841 78.157 1.00 0.00 H new ATOM 0 HA ALA A 3 11.761 14.072 78.231 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.551 13.942 77.099 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.525 15.110 78.442 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.628 15.688 76.762 1.00 0.00 H new ATOM 31 N GLY A 4 12.134 15.526 75.297 1.00 0.00 N ATOM 32 CA GLY A 4 12.664 15.326 73.953 1.00 0.00 C ATOM 33 C GLY A 4 11.586 14.792 73.015 1.00 0.00 C ATOM 34 O GLY A 4 11.852 14.516 71.845 1.00 0.00 O ATOM 0 H GLY A 4 11.862 16.486 75.509 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.053 16.269 73.567 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.500 14.627 73.988 1.00 0.00 H new ATOM 38 N LEU A 5 10.370 14.651 73.533 1.00 0.00 N ATOM 39 CA LEU A 5 9.261 14.150 72.724 1.00 0.00 C ATOM 40 C LEU A 5 8.956 15.114 71.581 1.00 0.00 C ATOM 41 O LEU A 5 8.668 14.691 70.463 1.00 0.00 O ATOM 42 CB LEU A 5 8.006 13.968 73.590 1.00 0.00 C ATOM 43 CG LEU A 5 8.181 12.782 74.554 1.00 0.00 C ATOM 44 CD1 LEU A 5 7.025 12.787 75.560 1.00 0.00 C ATOM 45 CD2 LEU A 5 8.181 11.446 73.778 1.00 0.00 C ATOM 0 H LEU A 5 10.127 14.873 74.498 1.00 0.00 H new ATOM 0 HA LEU A 5 9.552 13.185 72.309 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.813 14.879 74.157 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.138 13.800 72.952 1.00 0.00 H new ATOM 0 HG LEU A 5 9.134 12.881 75.073 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.139 11.950 76.249 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.034 13.722 76.120 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.079 12.693 75.027 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.306 10.619 74.477 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.235 11.333 73.248 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.002 11.442 73.061 1.00 0.00 H new ATOM 57 N GLN A 6 9.022 16.409 71.871 1.00 0.00 N ATOM 58 CA GLN A 6 8.755 17.427 70.861 1.00 0.00 C ATOM 59 C GLN A 6 9.785 17.359 69.739 1.00 0.00 C ATOM 60 O GLN A 6 9.452 17.523 68.565 1.00 0.00 O ATOM 61 CB GLN A 6 8.789 18.815 71.503 1.00 0.00 C ATOM 62 CG GLN A 6 7.572 18.998 72.415 1.00 0.00 C ATOM 63 CD GLN A 6 7.722 18.137 73.664 1.00 0.00 C ATOM 64 OE1 GLN A 6 8.780 18.137 74.295 1.00 0.00 O ATOM 65 NE2 GLN A 6 6.722 17.399 74.061 1.00 0.00 N ATOM 0 H GLN A 6 9.257 16.778 72.793 1.00 0.00 H new ATOM 0 HA GLN A 6 7.767 17.242 70.439 1.00 0.00 H new ATOM 0 HB2 GLN A 6 9.707 18.937 72.078 1.00 0.00 H new ATOM 0 HB3 GLN A 6 8.793 19.583 70.729 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.472 20.046 72.696 1.00 0.00 H new ATOM 0 HG3 GLN A 6 6.662 18.723 71.881 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.847 17.401 73.537 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.815 16.820 74.896 1.00 0.00 H new ATOM 74 N GLU A 7 11.037 17.114 70.108 1.00 0.00 N ATOM 75 CA GLU A 7 12.112 17.026 69.122 1.00 0.00 C ATOM 76 C GLU A 7 11.875 15.864 68.165 1.00 0.00 C ATOM 77 O GLU A 7 12.144 15.968 66.968 1.00 0.00 O ATOM 78 CB GLU A 7 13.469 16.852 69.817 1.00 0.00 C ATOM 79 CG GLU A 7 13.870 18.152 70.525 1.00 0.00 C ATOM 80 CD GLU A 7 14.206 19.223 69.494 1.00 0.00 C ATOM 81 OE1 GLU A 7 14.426 18.867 68.347 1.00 0.00 O ATOM 82 OE2 GLU A 7 14.239 20.385 69.864 1.00 0.00 O1- ATOM 0 H GLU A 7 11.333 16.974 71.074 1.00 0.00 H new ATOM 0 HA GLU A 7 12.120 17.955 68.553 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.414 16.038 70.539 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.229 16.578 69.085 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.056 18.494 71.165 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.730 17.974 71.171 1.00 0.00 H new ATOM 89 N LYS A 8 11.373 14.755 68.702 1.00 0.00 N ATOM 90 CA LYS A 8 11.107 13.573 67.888 1.00 0.00 C ATOM 91 C LYS A 8 12.374 13.130 67.161 1.00 0.00 C ATOM 92 O LYS A 8 12.316 12.686 66.015 1.00 0.00 O ATOM 93 CB LYS A 8 10.013 13.877 66.859 1.00 0.00 C ATOM 94 CG LYS A 8 8.721 14.263 67.581 1.00 0.00 C ATOM 95 CD LYS A 8 7.628 14.552 66.551 1.00 0.00 C ATOM 96 CE LYS A 8 6.338 14.944 67.275 1.00 0.00 C ATOM 97 NZ LYS A 8 5.275 15.234 66.273 1.00 0.00 N1+ ATOM 0 H LYS A 8 11.144 14.650 69.690 1.00 0.00 H new ATOM 0 HA LYS A 8 10.774 12.771 68.547 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.331 14.688 66.204 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.842 13.005 66.227 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.407 13.456 68.243 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.889 15.141 68.205 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.943 15.356 65.886 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.457 13.673 65.930 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.020 14.138 67.936 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.511 15.819 67.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.398 15.500 66.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.580 16.017 65.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.104 14.387 65.694 1.00 0.00 H new ATOM 111 N GLU A 9 13.519 13.255 67.831 1.00 0.00 N ATOM 112 CA GLU A 9 14.791 12.862 67.233 1.00 0.00 C ATOM 113 C GLU A 9 14.900 13.400 65.807 1.00 0.00 C ATOM 114 O GLU A 9 15.567 12.804 64.959 1.00 0.00 O ATOM 115 CB GLU A 9 14.922 11.335 67.222 1.00 0.00 C ATOM 116 CG GLU A 9 15.010 10.800 68.660 1.00 0.00 C ATOM 117 CD GLU A 9 13.622 10.713 69.289 1.00 0.00 C ATOM 118 OE1 GLU A 9 12.654 10.960 68.590 1.00 0.00 O ATOM 119 OE2 GLU A 9 13.547 10.402 70.467 1.00 0.00 O1- ATOM 0 H GLU A 9 13.591 13.622 68.780 1.00 0.00 H new ATOM 0 HA GLU A 9 15.598 13.285 67.832 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.065 10.893 66.713 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.811 11.043 66.662 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.477 9.815 68.659 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.645 11.453 69.258 1.00 0.00 H new ATOM 126 N ARG A 10 14.250 14.530 65.553 1.00 0.00 N ATOM 127 CA ARG A 10 14.285 15.148 64.232 1.00 0.00 C ATOM 128 C ARG A 10 13.881 14.152 63.147 1.00 0.00 C ATOM 129 O ARG A 10 14.409 14.184 62.036 1.00 0.00 O ATOM 130 CB ARG A 10 15.693 15.673 63.945 1.00 0.00 C ATOM 131 CG ARG A 10 16.039 16.779 64.945 1.00 0.00 C ATOM 132 CD ARG A 10 17.333 17.471 64.518 1.00 0.00 C ATOM 133 NE ARG A 10 18.441 16.520 64.523 1.00 0.00 N ATOM 134 CZ ARG A 10 19.145 16.284 65.626 1.00 0.00 C ATOM 135 NH1 ARG A 10 20.135 15.433 65.597 1.00 0.00 N1+ ATOM 136 NH2 ARG A 10 18.845 16.899 66.737 1.00 0.00 N ATOM 0 H ARG A 10 13.694 15.036 66.242 1.00 0.00 H new ATOM 0 HA ARG A 10 13.573 15.973 64.224 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.417 14.862 64.019 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.749 16.058 62.927 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.227 17.504 64.996 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.153 16.357 65.944 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.214 17.896 63.521 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.551 18.298 65.194 1.00 0.00 H new ATOM 0 HE ARG A 10 18.680 16.027 63.663 1.00 0.00 H new ATOM 0 HH11 ARG A 10 20.367 14.950 64.729 1.00 0.00 H new ATOM 0 HH12 ARG A 10 20.676 15.251 66.442 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.070 17.561 66.760 1.00 0.00 H new ATOM 0 HH22 ARG A 10 19.386 16.717 67.583 1.00 0.00 H new ATOM 150 N GLU A 11 12.935 13.275 63.470 1.00 0.00 N ATOM 151 CA GLU A 11 12.465 12.285 62.503 1.00 0.00 C ATOM 152 C GLU A 11 11.788 12.972 61.319 1.00 0.00 C ATOM 153 O GLU A 11 11.949 12.554 60.172 1.00 0.00 O ATOM 154 CB GLU A 11 11.480 11.315 63.169 1.00 0.00 C ATOM 155 CG GLU A 11 12.244 10.325 64.052 1.00 0.00 C ATOM 156 CD GLU A 11 13.018 9.341 63.182 1.00 0.00 C ATOM 157 OE1 GLU A 11 14.166 9.623 62.881 1.00 0.00 O ATOM 158 OE2 GLU A 11 12.453 8.320 62.830 1.00 0.00 O1- ATOM 0 H GLU A 11 12.482 13.228 64.383 1.00 0.00 H new ATOM 0 HA GLU A 11 13.328 11.726 62.141 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.759 11.870 63.769 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.915 10.777 62.408 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.930 10.863 64.706 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.548 9.786 64.695 1.00 0.00 H new ATOM 165 N LEU A 12 11.032 14.025 61.606 1.00 0.00 N ATOM 166 CA LEU A 12 10.332 14.759 60.558 1.00 0.00 C ATOM 167 C LEU A 12 11.330 15.374 59.579 1.00 0.00 C ATOM 168 O LEU A 12 11.107 15.370 58.368 1.00 0.00 O ATOM 169 CB LEU A 12 9.463 15.868 61.171 1.00 0.00 C ATOM 170 CG LEU A 12 8.203 15.275 61.831 1.00 0.00 C ATOM 171 CD1 LEU A 12 7.268 14.659 60.769 1.00 0.00 C ATOM 172 CD2 LEU A 12 8.603 14.203 62.854 1.00 0.00 C ATOM 0 H LEU A 12 10.888 14.388 62.548 1.00 0.00 H new ATOM 0 HA LEU A 12 9.692 14.059 60.021 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.041 16.421 61.912 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.173 16.579 60.397 1.00 0.00 H new ATOM 0 HG LEU A 12 7.670 16.079 62.339 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.385 14.246 61.257 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.964 15.430 60.061 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.793 13.865 60.238 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.707 13.789 63.316 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.153 13.407 62.351 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.234 14.650 63.622 1.00 0.00 H new ATOM 184 N GLU A 13 12.429 15.901 60.108 1.00 0.00 N ATOM 185 CA GLU A 13 13.448 16.514 59.265 1.00 0.00 C ATOM 186 C GLU A 13 14.039 15.480 58.312 1.00 0.00 C ATOM 187 O GLU A 13 14.260 15.762 57.135 1.00 0.00 O ATOM 188 CB GLU A 13 14.557 17.113 60.135 1.00 0.00 C ATOM 189 CG GLU A 13 15.590 17.812 59.244 1.00 0.00 C ATOM 190 CD GLU A 13 16.655 18.479 60.108 1.00 0.00 C ATOM 191 OE1 GLU A 13 16.557 18.378 61.319 1.00 0.00 O ATOM 192 OE2 GLU A 13 17.555 19.081 59.543 1.00 0.00 O1- ATOM 0 H GLU A 13 12.636 15.916 61.107 1.00 0.00 H new ATOM 0 HA GLU A 13 12.985 17.308 58.679 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.133 17.824 60.844 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.038 16.329 60.720 1.00 0.00 H new ATOM 0 HG2 GLU A 13 16.054 17.088 58.574 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.098 18.557 58.618 1.00 0.00 H new ATOM 199 N ASP A 14 14.295 14.283 58.831 1.00 0.00 N ATOM 200 CA ASP A 14 14.860 13.214 58.016 1.00 0.00 C ATOM 201 C ASP A 14 13.924 12.862 56.865 1.00 0.00 C ATOM 202 O ASP A 14 14.362 12.675 55.730 1.00 0.00 O ATOM 203 CB ASP A 14 15.102 11.973 58.878 1.00 0.00 C ATOM 204 CG ASP A 14 15.771 10.883 58.047 1.00 0.00 C ATOM 205 OD1 ASP A 14 15.885 11.067 56.847 1.00 0.00 O ATOM 206 OD2 ASP A 14 16.160 9.881 58.625 1.00 0.00 O1- ATOM 0 H ASP A 14 14.122 14.030 59.804 1.00 0.00 H new ATOM 0 HA ASP A 14 15.807 13.561 57.603 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.731 12.229 59.731 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.156 11.608 59.278 1.00 0.00 H new ATOM 211 N LEU A 15 12.632 12.773 57.165 1.00 0.00 N ATOM 212 CA LEU A 15 11.642 12.442 56.146 1.00 0.00 C ATOM 213 C LEU A 15 11.607 13.522 55.068 1.00 0.00 C ATOM 214 O LEU A 15 11.481 13.223 53.881 1.00 0.00 O ATOM 215 CB LEU A 15 10.257 12.315 56.783 1.00 0.00 C ATOM 216 CG LEU A 15 10.199 11.071 57.685 1.00 0.00 C ATOM 217 CD1 LEU A 15 8.889 11.093 58.480 1.00 0.00 C ATOM 218 CD2 LEU A 15 10.273 9.782 56.840 1.00 0.00 C ATOM 0 H LEU A 15 12.248 12.924 58.098 1.00 0.00 H new ATOM 0 HA LEU A 15 11.921 11.492 55.690 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.034 13.208 57.368 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.496 12.245 56.006 1.00 0.00 H new ATOM 0 HG LEU A 15 11.050 11.084 58.366 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.839 10.214 59.123 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.850 11.994 59.093 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.045 11.087 57.790 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.230 8.913 57.497 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.433 9.753 56.146 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.208 9.768 56.279 1.00 0.00 H new ATOM 230 N LYS A 16 11.718 14.776 55.490 1.00 0.00 N ATOM 231 CA LYS A 16 11.697 15.893 54.551 1.00 0.00 C ATOM 232 C LYS A 16 12.853 15.778 53.562 1.00 0.00 C ATOM 233 O LYS A 16 12.676 15.974 52.360 1.00 0.00 O ATOM 234 CB LYS A 16 11.788 17.218 55.321 1.00 0.00 C ATOM 235 CG LYS A 16 11.796 18.416 54.357 1.00 0.00 C ATOM 236 CD LYS A 16 10.507 18.440 53.522 1.00 0.00 C ATOM 237 CE LYS A 16 10.284 19.844 52.955 1.00 0.00 C ATOM 238 NZ LYS A 16 11.426 20.208 52.069 1.00 0.00 N1+ ATOM 0 H LYS A 16 11.823 15.045 56.468 1.00 0.00 H new ATOM 0 HA LYS A 16 10.762 15.868 53.992 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.944 17.303 56.006 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.693 17.229 55.928 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.889 19.344 54.921 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.662 18.355 53.698 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.575 17.716 52.710 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.657 18.148 54.139 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.350 19.878 52.395 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.195 20.566 53.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.186 21.063 51.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.270 20.390 52.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.619 19.425 51.412 1.00 0.00 H new ATOM 252 N ASP A 17 14.036 15.459 54.076 1.00 0.00 N ATOM 253 CA ASP A 17 15.214 15.321 53.228 1.00 0.00 C ATOM 254 C ASP A 17 15.012 14.203 52.209 1.00 0.00 C ATOM 255 O ASP A 17 15.408 14.328 51.050 1.00 0.00 O ATOM 256 CB ASP A 17 16.444 15.015 54.086 1.00 0.00 C ATOM 257 CG ASP A 17 16.848 16.253 54.879 1.00 0.00 C ATOM 258 OD1 ASP A 17 16.351 17.322 54.565 1.00 0.00 O ATOM 259 OD2 ASP A 17 17.648 16.115 55.790 1.00 0.00 O1- ATOM 0 H ASP A 17 14.204 15.292 55.068 1.00 0.00 H new ATOM 0 HA ASP A 17 15.367 16.260 52.696 1.00 0.00 H new ATOM 0 HB2 ASP A 17 16.227 14.192 54.767 1.00 0.00 H new ATOM 0 HB3 ASP A 17 17.270 14.694 53.451 1.00 0.00 H new ATOM 264 N ALA A 18 14.394 13.112 52.650 1.00 0.00 N ATOM 265 CA ALA A 18 14.145 11.979 51.766 1.00 0.00 C ATOM 266 C ALA A 18 13.248 12.394 50.603 1.00 0.00 C ATOM 267 O ALA A 18 13.456 11.973 49.466 1.00 0.00 O ATOM 268 CB ALA A 18 13.478 10.844 52.546 1.00 0.00 C ATOM 0 H ALA A 18 14.059 12.989 53.605 1.00 0.00 H new ATOM 0 HA ALA A 18 15.100 11.635 51.370 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.296 10.002 51.878 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.132 10.528 53.359 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.531 11.193 52.957 1.00 0.00 H new ATOM 274 N GLU A 19 12.249 13.219 50.899 1.00 0.00 N ATOM 275 CA GLU A 19 11.326 13.683 49.871 1.00 0.00 C ATOM 276 C GLU A 19 12.064 14.495 48.812 1.00 0.00 C ATOM 277 O GLU A 19 11.780 14.382 47.619 1.00 0.00 O ATOM 278 CB GLU A 19 10.232 14.545 50.505 1.00 0.00 C ATOM 279 CG GLU A 19 9.305 13.661 51.342 1.00 0.00 C ATOM 280 CD GLU A 19 8.322 14.527 52.121 1.00 0.00 C ATOM 281 OE1 GLU A 19 8.535 15.727 52.174 1.00 0.00 O ATOM 282 OE2 GLU A 19 7.372 13.977 52.653 1.00 0.00 O1- ATOM 0 H GLU A 19 12.059 13.577 51.835 1.00 0.00 H new ATOM 0 HA GLU A 19 10.875 12.812 49.395 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.680 15.316 51.132 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.662 15.056 49.729 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.762 12.973 50.694 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.892 13.054 52.031 1.00 0.00 H new ATOM 289 N LEU A 20 13.011 15.315 49.254 1.00 0.00 N ATOM 290 CA LEU A 20 13.783 16.143 48.334 1.00 0.00 C ATOM 291 C LEU A 20 14.558 15.265 47.354 1.00 0.00 C ATOM 292 O LEU A 20 14.591 15.538 46.155 1.00 0.00 O ATOM 293 CB LEU A 20 14.751 17.032 49.124 1.00 0.00 C ATOM 294 CG LEU A 20 15.587 17.904 48.174 1.00 0.00 C ATOM 295 CD1 LEU A 20 14.668 18.814 47.340 1.00 0.00 C ATOM 296 CD2 LEU A 20 16.543 18.765 49.007 1.00 0.00 C ATOM 0 H LEU A 20 13.262 15.424 50.237 1.00 0.00 H new ATOM 0 HA LEU A 20 13.099 16.775 47.768 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.191 17.667 49.810 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.410 16.411 49.730 1.00 0.00 H new ATOM 0 HG LEU A 20 16.152 17.264 47.497 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.272 19.427 46.671 1.00 0.00 H new ATOM 0 HD12 LEU A 20 13.985 18.201 46.752 1.00 0.00 H new ATOM 0 HD13 LEU A 20 14.095 19.460 48.005 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.142 19.389 48.344 1.00 0.00 H new ATOM 0 HD22 LEU A 20 15.968 19.400 49.681 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.200 18.119 49.590 1.00 0.00 H new ATOM 308 N LYS A 21 15.183 14.214 47.876 1.00 0.00 N ATOM 309 CA LYS A 21 15.957 13.306 47.037 1.00 0.00 C ATOM 310 C LYS A 21 15.060 12.665 45.982 1.00 0.00 C ATOM 311 O LYS A 21 15.433 12.564 44.814 1.00 0.00 O ATOM 312 CB LYS A 21 16.600 12.220 47.905 1.00 0.00 C ATOM 313 CG LYS A 21 17.444 11.285 47.031 1.00 0.00 C ATOM 314 CD LYS A 21 18.124 10.237 47.915 1.00 0.00 C ATOM 315 CE LYS A 21 18.919 9.270 47.038 1.00 0.00 C ATOM 316 NZ LYS A 21 19.996 10.014 46.326 1.00 0.00 N1+ ATOM 0 H LYS A 21 15.169 13.972 48.867 1.00 0.00 H new ATOM 0 HA LYS A 21 16.739 13.873 46.533 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.225 12.678 48.672 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.828 11.650 48.422 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.813 10.796 46.288 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.194 11.858 46.485 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.786 10.724 48.631 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.377 9.692 48.492 1.00 0.00 H new ATOM 0 HE2 LYS A 21 19.353 8.480 47.651 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.258 8.789 46.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 20.712 9.343 45.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.588 10.529 45.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 20.441 10.690 46.979 1.00 0.00 H new ATOM 330 N ARG A 22 13.875 12.234 46.403 1.00 0.00 N ATOM 331 CA ARG A 22 12.933 11.603 45.484 1.00 0.00 C ATOM 332 C ARG A 22 12.546 12.570 44.370 1.00 0.00 C ATOM 333 O ARG A 22 12.497 12.195 43.200 1.00 0.00 O ATOM 334 CB ARG A 22 11.677 11.168 46.245 1.00 0.00 C ATOM 335 CG ARG A 22 10.712 10.468 45.284 1.00 0.00 C ATOM 336 CD ARG A 22 9.531 9.900 46.072 1.00 0.00 C ATOM 337 NE ARG A 22 9.981 8.826 46.951 1.00 0.00 N ATOM 338 CZ ARG A 22 9.141 8.231 47.793 1.00 0.00 C ATOM 339 NH1 ARG A 22 9.567 7.274 48.571 1.00 0.00 N1+ ATOM 340 NH2 ARG A 22 7.892 8.605 47.842 1.00 0.00 N ATOM 0 H ARG A 22 13.546 12.309 47.366 1.00 0.00 H new ATOM 0 HA ARG A 22 13.411 10.729 45.042 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.947 10.496 47.059 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.193 12.035 46.695 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.356 11.172 44.532 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.227 9.668 44.753 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.064 10.690 46.660 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.773 9.524 45.385 1.00 0.00 H new ATOM 0 HE ARG A 22 10.956 8.527 46.919 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.544 6.983 48.533 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.923 6.817 49.217 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.560 9.354 47.234 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.248 8.148 48.488 1.00 0.00 H new ATOM 354 N LEU A 23 12.274 13.817 44.743 1.00 0.00 N ATOM 355 CA LEU A 23 11.894 14.836 43.771 1.00 0.00 C ATOM 356 C LEU A 23 13.032 15.090 42.786 1.00 0.00 C ATOM 357 O LEU A 23 12.802 15.295 41.594 1.00 0.00 O ATOM 358 CB LEU A 23 11.541 16.141 44.490 1.00 0.00 C ATOM 359 CG LEU A 23 10.238 15.974 45.286 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.032 17.209 46.169 1.00 0.00 C ATOM 361 CD2 LEU A 23 9.035 15.810 44.332 1.00 0.00 C ATOM 0 H LEU A 23 12.310 14.145 45.708 1.00 0.00 H new ATOM 0 HA LEU A 23 11.024 14.477 43.221 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.351 16.425 45.161 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.431 16.946 43.764 1.00 0.00 H new ATOM 0 HG LEU A 23 10.310 15.080 45.905 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.109 17.099 46.738 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.872 17.309 46.856 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.968 18.098 45.542 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.122 15.693 44.915 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.950 16.693 43.698 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.183 14.928 43.708 1.00 0.00 H new ATOM 373 N ASN A 24 14.260 15.084 43.294 1.00 0.00 N ATOM 374 CA ASN A 24 15.428 15.324 42.455 1.00 0.00 C ATOM 375 C ASN A 24 15.522 14.273 41.352 1.00 0.00 C ATOM 376 O ASN A 24 15.868 14.586 40.213 1.00 0.00 O ATOM 377 CB ASN A 24 16.697 15.283 43.308 1.00 0.00 C ATOM 378 CG ASN A 24 17.886 15.794 42.503 1.00 0.00 C ATOM 379 OD1 ASN A 24 17.738 16.706 41.688 1.00 0.00 O ATOM 380 ND2 ASN A 24 19.063 15.260 42.681 1.00 0.00 N ATOM 0 H ASN A 24 14.472 14.916 44.278 1.00 0.00 H new ATOM 0 HA ASN A 24 15.327 16.308 41.996 1.00 0.00 H new ATOM 0 HB2 ASN A 24 16.564 15.893 44.201 1.00 0.00 H new ATOM 0 HB3 ASN A 24 16.886 14.263 43.643 1.00 0.00 H new ATOM 0 HD21 ASN A 24 19.862 15.598 42.145 1.00 0.00 H new ATOM 0 HD22 ASN A 24 19.184 14.505 43.356 1.00 0.00 H new ATOM 387 N GLU A 25 15.214 13.029 41.701 1.00 0.00 N ATOM 388 CA GLU A 25 15.268 11.933 40.739 1.00 0.00 C ATOM 389 C GLU A 25 16.659 11.844 40.107 1.00 0.00 C ATOM 390 O GLU A 25 17.619 12.412 40.626 1.00 0.00 O ATOM 391 CB GLU A 25 14.222 12.142 39.639 1.00 0.00 C ATOM 392 CG GLU A 25 12.820 12.121 40.253 1.00 0.00 C ATOM 393 CD GLU A 25 11.772 12.325 39.164 1.00 0.00 C ATOM 394 OE1 GLU A 25 12.162 12.550 38.029 1.00 0.00 O ATOM 395 OE2 GLU A 25 10.597 12.254 39.480 1.00 0.00 O1- ATOM 0 H GLU A 25 14.925 12.754 42.640 1.00 0.00 H new ATOM 0 HA GLU A 25 15.056 11.004 41.268 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.395 13.093 39.135 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.311 11.360 38.885 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.650 11.171 40.760 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.732 12.904 41.006 1.00 0.00 H new ATOM 402 N GLU A 26 16.764 11.124 38.984 1.00 0.00 N ATOM 403 CA GLU A 26 18.045 10.967 38.292 1.00 0.00 C ATOM 404 C GLU A 26 18.118 11.882 37.073 1.00 0.00 C ATOM 405 O GLU A 26 19.130 11.914 36.372 1.00 0.00 O ATOM 406 CB GLU A 26 18.215 9.514 37.844 1.00 0.00 C ATOM 407 CG GLU A 26 18.173 8.594 39.066 1.00 0.00 C ATOM 408 CD GLU A 26 19.380 8.860 39.962 1.00 0.00 C ATOM 409 OE1 GLU A 26 20.347 9.415 39.468 1.00 0.00 O ATOM 410 OE2 GLU A 26 19.316 8.507 41.128 1.00 0.00 O1- ATOM 0 H GLU A 26 15.982 10.644 38.539 1.00 0.00 H new ATOM 0 HA GLU A 26 18.844 11.238 38.983 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.424 9.243 37.145 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.162 9.393 37.317 1.00 0.00 H new ATOM 0 HG2 GLU A 26 17.252 8.760 39.624 1.00 0.00 H new ATOM 0 HG3 GLU A 26 18.169 7.552 38.747 1.00 0.00 H new ATOM 417 N ARG A 27 17.041 12.619 36.817 1.00 0.00 N ATOM 418 CA ARG A 27 17.004 13.520 35.670 1.00 0.00 C ATOM 419 C ARG A 27 18.066 14.608 35.795 1.00 0.00 C ATOM 420 O ARG A 27 18.585 15.099 34.793 1.00 0.00 O ATOM 421 CB ARG A 27 15.614 14.155 35.550 1.00 0.00 C ATOM 422 CG ARG A 27 15.353 15.083 36.741 1.00 0.00 C ATOM 423 CD ARG A 27 13.921 15.618 36.664 1.00 0.00 C ATOM 424 NE ARG A 27 13.663 16.527 37.774 1.00 0.00 N ATOM 425 CZ ARG A 27 12.472 17.093 37.935 1.00 0.00 C ATOM 426 NH1 ARG A 27 12.265 17.906 38.936 1.00 0.00 N1+ ATOM 427 NH2 ARG A 27 11.509 16.840 37.093 1.00 0.00 N ATOM 0 H ARG A 27 16.191 12.611 37.381 1.00 0.00 H new ATOM 0 HA ARG A 27 17.215 12.940 34.772 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.542 14.717 34.619 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.852 13.376 35.512 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.502 14.543 37.676 1.00 0.00 H new ATOM 0 HG3 ARG A 27 16.063 15.910 36.734 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.769 16.136 35.717 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.213 14.789 36.691 1.00 0.00 H new ATOM 0 HE ARG A 27 14.409 16.732 38.438 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.018 18.106 39.594 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.350 18.340 39.059 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.670 16.207 36.310 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.595 17.275 37.218 1.00 0.00 H new ATOM 441 N HIS A 28 18.389 14.978 37.030 1.00 0.00 N ATOM 442 CA HIS A 28 19.395 16.005 37.268 1.00 0.00 C ATOM 443 C HIS A 28 20.763 15.535 36.783 1.00 0.00 C ATOM 444 O HIS A 28 21.529 16.311 36.211 1.00 0.00 O ATOM 445 CB HIS A 28 19.462 16.339 38.761 1.00 0.00 C ATOM 446 CG HIS A 28 18.250 17.141 39.152 1.00 0.00 C ATOM 447 ND1 HIS A 28 17.015 16.553 39.382 1.00 0.00 N ATOM 448 CD2 HIS A 28 18.066 18.487 39.354 1.00 0.00 C ATOM 449 CE1 HIS A 28 16.152 17.534 39.704 1.00 0.00 C ATOM 450 NE2 HIS A 28 16.742 18.732 39.704 1.00 0.00 N ATOM 0 H HIS A 28 17.973 14.586 37.874 1.00 0.00 H new ATOM 0 HA HIS A 28 19.114 16.899 36.712 1.00 0.00 H new ATOM 0 HB2 HIS A 28 19.509 15.422 39.348 1.00 0.00 H new ATOM 0 HB3 HIS A 28 20.369 16.903 38.978 1.00 0.00 H new ATOM 0 HD1 HIS A 28 16.800 15.558 39.319 1.00 0.00 H new ATOM 0 HD2 HIS A 28 18.833 19.241 39.256 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.109 17.372 39.934 1.00 0.00 H new ATOM 458 N ASP A 29 21.060 14.261 37.012 1.00 0.00 N ATOM 459 CA ASP A 29 22.337 13.696 36.589 1.00 0.00 C ATOM 460 C ASP A 29 22.486 13.786 35.075 1.00 0.00 C ATOM 461 O ASP A 29 23.554 14.124 34.564 1.00 0.00 O ATOM 462 CB ASP A 29 22.433 12.234 37.029 1.00 0.00 C ATOM 463 CG ASP A 29 23.805 11.673 36.674 1.00 0.00 C ATOM 464 OD1 ASP A 29 24.542 12.357 35.982 1.00 0.00 O ATOM 465 OD2 ASP A 29 24.099 10.567 37.096 1.00 0.00 O1- ATOM 0 H ASP A 29 20.440 13.604 37.485 1.00 0.00 H new ATOM 0 HA ASP A 29 23.139 14.268 37.056 1.00 0.00 H new ATOM 0 HB2 ASP A 29 22.266 12.157 38.103 1.00 0.00 H new ATOM 0 HB3 ASP A 29 21.654 11.647 36.543 1.00 0.00 H new ATOM 470 N HIS A 30 21.406 13.481 34.363 1.00 0.00 N ATOM 471 CA HIS A 30 21.423 13.529 32.905 1.00 0.00 C ATOM 472 C HIS A 30 21.751 14.938 32.418 1.00 0.00 C ATOM 473 O HIS A 30 22.575 15.117 31.519 1.00 0.00 O ATOM 474 CB HIS A 30 20.063 13.097 32.351 1.00 0.00 C ATOM 475 CG HIS A 30 20.079 13.197 30.851 1.00 0.00 C ATOM 476 ND1 HIS A 30 20.787 12.308 30.058 1.00 0.00 N ATOM 477 CD2 HIS A 30 19.478 14.076 29.984 1.00 0.00 C ATOM 478 CE1 HIS A 30 20.596 12.667 28.775 1.00 0.00 C ATOM 479 NE2 HIS A 30 19.806 13.740 28.674 1.00 0.00 N ATOM 0 H HIS A 30 20.513 13.200 34.768 1.00 0.00 H new ATOM 0 HA HIS A 30 22.193 12.846 32.547 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.842 12.074 32.656 1.00 0.00 H new ATOM 0 HB3 HIS A 30 19.274 13.729 32.760 1.00 0.00 H new ATOM 0 HD2 HIS A 30 18.847 14.903 30.275 1.00 0.00 H new ATOM 0 HE1 HIS A 30 21.028 12.151 27.930 1.00 0.00 H new ATOM 0 HE2 HIS A 30 19.508 14.211 27.820 1.00 0.00 H new ATOM 487 N ASP A 31 21.103 15.934 33.013 1.00 0.00 N ATOM 488 CA ASP A 31 21.336 17.322 32.626 1.00 0.00 C ATOM 489 C ASP A 31 22.792 17.707 32.864 1.00 0.00 C ATOM 490 O ASP A 31 23.399 18.409 32.054 1.00 0.00 O ATOM 491 CB ASP A 31 20.423 18.248 33.432 1.00 0.00 C ATOM 492 CG ASP A 31 18.979 18.093 32.965 1.00 0.00 C ATOM 493 OD1 ASP A 31 18.777 17.500 31.918 1.00 0.00 O ATOM 494 OD2 ASP A 31 18.098 18.569 33.661 1.00 0.00 O1- ATOM 0 H ASP A 31 20.418 15.809 33.759 1.00 0.00 H new ATOM 0 HA ASP A 31 21.114 17.426 31.564 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.498 18.012 34.494 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.744 19.283 33.312 1.00 0.00 H new ATOM 499 N LYS A 32 23.352 17.239 33.975 1.00 0.00 N ATOM 500 CA LYS A 32 24.744 17.536 34.301 1.00 0.00 C ATOM 501 C LYS A 32 25.677 16.944 33.250 1.00 0.00 C ATOM 502 O LYS A 32 26.669 17.563 32.866 1.00 0.00 O ATOM 503 CB LYS A 32 25.104 16.982 35.683 1.00 0.00 C ATOM 504 CG LYS A 32 24.406 17.803 36.775 1.00 0.00 C ATOM 505 CD LYS A 32 24.769 17.238 38.150 1.00 0.00 C ATOM 506 CE LYS A 32 24.080 18.063 39.238 1.00 0.00 C ATOM 507 NZ LYS A 32 24.427 17.506 40.577 1.00 0.00 N1+ ATOM 0 H LYS A 32 22.869 16.658 34.660 1.00 0.00 H new ATOM 0 HA LYS A 32 24.865 18.619 34.313 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.804 15.937 35.754 1.00 0.00 H new ATOM 0 HB3 LYS A 32 26.184 17.014 35.827 1.00 0.00 H new ATOM 0 HG2 LYS A 32 24.709 18.848 36.708 1.00 0.00 H new ATOM 0 HG3 LYS A 32 23.326 17.774 36.632 1.00 0.00 H new ATOM 0 HD2 LYS A 32 24.461 16.195 38.219 1.00 0.00 H new ATOM 0 HD3 LYS A 32 25.850 17.261 38.291 1.00 0.00 H new ATOM 0 HE2 LYS A 32 24.394 19.105 39.173 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.000 18.046 39.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.959 18.066 41.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.107 16.518 40.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 25.457 17.545 40.713 1.00 0.00 H new ATOM 521 N ARG A 33 25.351 15.740 32.788 1.00 0.00 N ATOM 522 CA ARG A 33 26.166 15.072 31.780 1.00 0.00 C ATOM 523 C ARG A 33 26.226 15.903 30.502 1.00 0.00 C ATOM 524 O ARG A 33 27.290 16.059 29.901 1.00 0.00 O ATOM 525 CB ARG A 33 25.584 13.691 31.469 1.00 0.00 C ATOM 526 CG ARG A 33 26.463 12.983 30.435 1.00 0.00 C ATOM 527 CD ARG A 33 25.977 11.544 30.250 1.00 0.00 C ATOM 528 NE ARG A 33 26.762 10.875 29.221 1.00 0.00 N ATOM 529 CZ ARG A 33 26.609 9.577 28.974 1.00 0.00 C ATOM 530 NH1 ARG A 33 27.325 9.000 28.048 1.00 0.00 N1+ ATOM 531 NH2 ARG A 33 25.746 8.880 29.659 1.00 0.00 N ATOM 0 H ARG A 33 24.534 15.211 33.093 1.00 0.00 H new ATOM 0 HA ARG A 33 27.177 14.959 32.173 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.527 13.096 32.380 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.567 13.791 31.089 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.425 13.516 29.485 1.00 0.00 H new ATOM 0 HG3 ARG A 33 27.503 12.988 30.762 1.00 0.00 H new ATOM 0 HD2 ARG A 33 26.060 11.001 31.191 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.923 11.541 29.972 1.00 0.00 H new ATOM 0 HE ARG A 33 27.441 11.411 28.681 1.00 0.00 H new ATOM 0 HH11 ARG A 33 28.002 9.544 27.514 1.00 0.00 H new ATOM 0 HH12 ARG A 33 27.208 8.005 27.859 1.00 0.00 H new ATOM 0 HH21 ARG A 33 25.188 9.330 30.385 1.00 0.00 H new ATOM 0 HH22 ARG A 33 25.629 7.885 29.469 1.00 0.00 H new ATOM 545 N GLU A 34 25.078 16.431 30.091 1.00 0.00 N ATOM 546 CA GLU A 34 25.013 17.243 28.882 1.00 0.00 C ATOM 547 C GLU A 34 25.894 18.480 29.029 1.00 0.00 C ATOM 548 O GLU A 34 26.608 18.859 28.100 1.00 0.00 O ATOM 549 CB GLU A 34 23.560 17.662 28.619 1.00 0.00 C ATOM 550 CG GLU A 34 23.465 18.486 27.328 1.00 0.00 C ATOM 551 CD GLU A 34 23.896 17.644 26.133 1.00 0.00 C ATOM 552 OE1 GLU A 34 23.870 16.428 26.248 1.00 0.00 O ATOM 553 OE2 GLU A 34 24.246 18.225 25.119 1.00 0.00 O1- ATOM 0 H GLU A 34 24.187 16.313 30.573 1.00 0.00 H new ATOM 0 HA GLU A 34 25.376 16.655 28.039 1.00 0.00 H new ATOM 0 HB2 GLU A 34 22.928 16.777 28.540 1.00 0.00 H new ATOM 0 HB3 GLU A 34 23.186 18.247 29.459 1.00 0.00 H new ATOM 0 HG2 GLU A 34 22.443 18.836 27.186 1.00 0.00 H new ATOM 0 HG3 GLU A 34 24.097 19.371 27.405 1.00 0.00 H new ATOM 560 N ALA A 35 25.840 19.104 30.201 1.00 0.00 N ATOM 561 CA ALA A 35 26.639 20.297 30.458 1.00 0.00 C ATOM 562 C ALA A 35 28.127 19.979 30.344 1.00 0.00 C ATOM 563 O ALA A 35 28.902 20.772 29.810 1.00 0.00 O ATOM 564 CB ALA A 35 26.336 20.838 31.856 1.00 0.00 C ATOM 0 H ALA A 35 25.256 18.807 30.983 1.00 0.00 H new ATOM 0 HA ALA A 35 26.382 21.051 29.714 1.00 0.00 H new ATOM 0 HB1 ALA A 35 26.937 21.729 32.040 1.00 0.00 H new ATOM 0 HB2 ALA A 35 25.279 21.093 31.926 1.00 0.00 H new ATOM 0 HB3 ALA A 35 26.576 20.079 32.600 1.00 0.00 H new ATOM 570 N GLU A 36 28.518 18.814 30.851 1.00 0.00 N ATOM 571 CA GLU A 36 29.915 18.401 30.801 1.00 0.00 C ATOM 572 C GLU A 36 30.375 18.278 29.350 1.00 0.00 C ATOM 573 O GLU A 36 31.479 18.693 29.002 1.00 0.00 O ATOM 574 CB GLU A 36 30.085 17.057 31.522 1.00 0.00 C ATOM 575 CG GLU A 36 31.558 16.629 31.514 1.00 0.00 C ATOM 576 CD GLU A 36 32.405 17.640 32.281 1.00 0.00 C ATOM 577 OE1 GLU A 36 31.842 18.370 33.080 1.00 0.00 O ATOM 578 OE2 GLU A 36 33.605 17.669 32.059 1.00 0.00 O1- ATOM 0 H GLU A 36 27.892 18.144 31.298 1.00 0.00 H new ATOM 0 HA GLU A 36 30.526 19.153 31.300 1.00 0.00 H new ATOM 0 HB2 GLU A 36 29.729 17.140 32.549 1.00 0.00 H new ATOM 0 HB3 GLU A 36 29.476 16.296 31.035 1.00 0.00 H new ATOM 0 HG2 GLU A 36 31.660 15.642 31.965 1.00 0.00 H new ATOM 0 HG3 GLU A 36 31.915 16.549 30.487 1.00 0.00 H new ATOM 585 N ARG A 37 29.518 17.705 28.511 1.00 0.00 N ATOM 586 CA ARG A 37 29.845 17.533 27.099 1.00 0.00 C ATOM 587 C ARG A 37 30.044 18.890 26.431 1.00 0.00 C ATOM 588 O ARG A 37 30.939 19.058 25.603 1.00 0.00 O ATOM 589 CB ARG A 37 28.714 16.773 26.390 1.00 0.00 C ATOM 590 CG ARG A 37 28.682 15.300 26.839 1.00 0.00 C ATOM 591 CD ARG A 37 29.687 14.466 26.031 1.00 0.00 C ATOM 592 NE ARG A 37 29.293 14.424 24.628 1.00 0.00 N ATOM 593 CZ ARG A 37 30.086 13.886 23.706 1.00 0.00 C ATOM 594 NH1 ARG A 37 29.709 13.858 22.458 1.00 0.00 N1+ ATOM 595 NH2 ARG A 37 31.242 13.387 24.051 1.00 0.00 N ATOM 0 H ARG A 37 28.599 17.354 28.781 1.00 0.00 H new ATOM 0 HA ARG A 37 30.770 16.962 27.023 1.00 0.00 H new ATOM 0 HB2 ARG A 37 27.757 17.246 26.611 1.00 0.00 H new ATOM 0 HB3 ARG A 37 28.855 16.826 25.310 1.00 0.00 H new ATOM 0 HG2 ARG A 37 28.917 15.233 27.901 1.00 0.00 H new ATOM 0 HG3 ARG A 37 27.678 14.896 26.708 1.00 0.00 H new ATOM 0 HD2 ARG A 37 30.685 14.895 26.123 1.00 0.00 H new ATOM 0 HD3 ARG A 37 29.737 13.454 26.433 1.00 0.00 H new ATOM 0 HE ARG A 37 28.393 14.814 24.349 1.00 0.00 H new ATOM 0 HH11 ARG A 37 28.806 14.249 22.189 1.00 0.00 H new ATOM 0 HH12 ARG A 37 30.317 13.445 21.751 1.00 0.00 H new ATOM 0 HH21 ARG A 37 31.536 13.410 25.027 1.00 0.00 H new ATOM 0 HH22 ARG A 37 31.851 12.974 23.344 1.00 0.00 H new ATOM 609 N LYS A 38 29.205 19.854 26.796 1.00 0.00 N ATOM 610 CA LYS A 38 29.303 21.192 26.226 1.00 0.00 C ATOM 611 C LYS A 38 30.664 21.803 26.542 1.00 0.00 C ATOM 612 O LYS A 38 31.303 22.404 25.679 1.00 0.00 O ATOM 613 CB LYS A 38 28.188 22.080 26.789 1.00 0.00 C ATOM 614 CG LYS A 38 28.262 23.477 26.163 1.00 0.00 C ATOM 615 CD LYS A 38 27.124 24.341 26.707 1.00 0.00 C ATOM 616 CE LYS A 38 27.201 25.739 26.087 1.00 0.00 C ATOM 617 NZ LYS A 38 26.086 26.576 26.610 1.00 0.00 N1+ ATOM 0 H LYS A 38 28.456 19.735 27.478 1.00 0.00 H new ATOM 0 HA LYS A 38 29.193 21.122 25.144 1.00 0.00 H new ATOM 0 HB2 LYS A 38 27.216 21.632 26.583 1.00 0.00 H new ATOM 0 HB3 LYS A 38 28.282 22.153 27.872 1.00 0.00 H new ATOM 0 HG2 LYS A 38 29.223 23.938 26.390 1.00 0.00 H new ATOM 0 HG3 LYS A 38 28.191 23.405 25.078 1.00 0.00 H new ATOM 0 HD2 LYS A 38 26.163 23.882 26.476 1.00 0.00 H new ATOM 0 HD3 LYS A 38 27.192 24.409 27.793 1.00 0.00 H new ATOM 0 HE2 LYS A 38 28.159 26.201 26.324 1.00 0.00 H new ATOM 0 HE3 LYS A 38 27.140 25.671 25.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 26.138 27.526 26.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 25.176 26.137 26.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 26.164 26.651 27.644 1.00 0.00 H new ATOM 631 N ALA A 39 31.102 21.643 27.787 1.00 0.00 N ATOM 632 CA ALA A 39 32.389 22.180 28.212 1.00 0.00 C ATOM 633 C ALA A 39 33.525 21.555 27.407 1.00 0.00 C ATOM 634 O ALA A 39 34.482 22.234 27.037 1.00 0.00 O ATOM 635 CB ALA A 39 32.605 21.903 29.701 1.00 0.00 C ATOM 0 H ALA A 39 30.587 21.148 28.516 1.00 0.00 H new ATOM 0 HA ALA A 39 32.386 23.256 28.039 1.00 0.00 H new ATOM 0 HB1 ALA A 39 33.569 22.307 30.010 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.811 22.376 30.278 1.00 0.00 H new ATOM 0 HB3 ALA A 39 32.590 20.827 29.877 1.00 0.00 H new ATOM 641 N LEU A 40 33.412 20.256 27.142 1.00 0.00 N ATOM 642 CA LEU A 40 34.439 19.550 26.385 1.00 0.00 C ATOM 643 C LEU A 40 34.585 20.161 24.994 1.00 0.00 C ATOM 644 O LEU A 40 35.697 20.412 24.528 1.00 0.00 O ATOM 645 CB LEU A 40 34.064 18.066 26.271 1.00 0.00 C ATOM 646 CG LEU A 40 35.118 17.297 25.455 1.00 0.00 C ATOM 647 CD1 LEU A 40 36.489 17.385 26.142 1.00 0.00 C ATOM 648 CD2 LEU A 40 34.689 15.830 25.352 1.00 0.00 C ATOM 0 H LEU A 40 32.627 19.676 27.438 1.00 0.00 H new ATOM 0 HA LEU A 40 35.392 19.642 26.906 1.00 0.00 H new ATOM 0 HB2 LEU A 40 33.979 17.630 27.266 1.00 0.00 H new ATOM 0 HB3 LEU A 40 33.088 17.968 25.796 1.00 0.00 H new ATOM 0 HG LEU A 40 35.197 17.735 24.460 1.00 0.00 H new ATOM 0 HD11 LEU A 40 37.226 16.837 25.555 1.00 0.00 H new ATOM 0 HD12 LEU A 40 36.791 18.430 26.220 1.00 0.00 H new ATOM 0 HD13 LEU A 40 36.425 16.951 27.140 1.00 0.00 H new ATOM 0 HD21 LEU A 40 35.429 15.274 24.775 1.00 0.00 H new ATOM 0 HD22 LEU A 40 34.612 15.402 26.352 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.721 15.768 24.855 1.00 0.00 H new ATOM 660 N GLU A 41 33.455 20.401 24.337 1.00 0.00 N ATOM 661 CA GLU A 41 33.468 20.988 23.001 1.00 0.00 C ATOM 662 C GLU A 41 34.063 22.392 23.040 1.00 0.00 C ATOM 663 O GLU A 41 34.819 22.781 22.150 1.00 0.00 O ATOM 664 CB GLU A 41 32.043 21.044 22.442 1.00 0.00 C ATOM 665 CG GLU A 41 32.071 21.595 21.013 1.00 0.00 C ATOM 666 CD GLU A 41 30.664 21.584 20.424 1.00 0.00 C ATOM 667 OE1 GLU A 41 29.754 21.166 21.121 1.00 0.00 O ATOM 668 OE2 GLU A 41 30.518 21.996 19.286 1.00 0.00 O1- ATOM 0 H GLU A 41 32.525 20.200 24.704 1.00 0.00 H new ATOM 0 HA GLU A 41 34.085 20.365 22.354 1.00 0.00 H new ATOM 0 HB2 GLU A 41 31.600 20.048 22.450 1.00 0.00 H new ATOM 0 HB3 GLU A 41 31.419 21.676 23.074 1.00 0.00 H new ATOM 0 HG2 GLU A 41 32.466 22.611 21.013 1.00 0.00 H new ATOM 0 HG3 GLU A 41 32.738 20.994 20.395 1.00 0.00 H new ATOM 675 N ASP A 42 33.707 23.148 24.073 1.00 0.00 N ATOM 676 CA ASP A 42 34.196 24.516 24.226 1.00 0.00 C ATOM 677 C ASP A 42 35.711 24.543 24.403 1.00 0.00 C ATOM 678 O ASP A 42 36.355 25.565 24.161 1.00 0.00 O ATOM 679 CB ASP A 42 33.529 25.174 25.436 1.00 0.00 C ATOM 680 CG ASP A 42 32.062 25.462 25.134 1.00 0.00 C ATOM 681 OD1 ASP A 42 31.689 25.382 23.974 1.00 0.00 O ATOM 682 OD2 ASP A 42 31.334 25.761 26.065 1.00 0.00 O1- ATOM 0 H ASP A 42 33.082 22.838 24.817 1.00 0.00 H new ATOM 0 HA ASP A 42 33.945 25.068 23.320 1.00 0.00 H new ATOM 0 HB2 ASP A 42 33.608 24.520 26.305 1.00 0.00 H new ATOM 0 HB3 ASP A 42 34.045 26.101 25.686 1.00 0.00 H new ATOM 687 N LYS A 43 36.278 23.425 24.842 1.00 0.00 N ATOM 688 CA LYS A 43 37.718 23.347 25.062 1.00 0.00 C ATOM 689 C LYS A 43 38.490 23.709 23.792 1.00 0.00 C ATOM 690 O LYS A 43 38.226 23.169 22.717 1.00 0.00 O ATOM 691 CB LYS A 43 38.097 21.929 25.500 1.00 0.00 C ATOM 692 CG LYS A 43 39.588 21.884 25.845 1.00 0.00 C ATOM 693 CD LYS A 43 39.944 20.550 26.516 1.00 0.00 C ATOM 694 CE LYS A 43 39.956 19.422 25.478 1.00 0.00 C ATOM 695 NZ LYS A 43 40.450 18.168 26.116 1.00 0.00 N1+ ATOM 0 H LYS A 43 35.768 22.567 25.051 1.00 0.00 H new ATOM 0 HA LYS A 43 37.982 24.061 25.842 1.00 0.00 H new ATOM 0 HB2 LYS A 43 37.503 21.633 26.365 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.875 21.219 24.703 1.00 0.00 H new ATOM 0 HG2 LYS A 43 40.181 22.012 24.939 1.00 0.00 H new ATOM 0 HG3 LYS A 43 39.839 22.711 26.510 1.00 0.00 H new ATOM 0 HD2 LYS A 43 40.921 20.624 26.994 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.221 20.325 27.300 1.00 0.00 H new ATOM 0 HE2 LYS A 43 38.953 19.269 25.079 1.00 0.00 H new ATOM 0 HE3 LYS A 43 40.596 19.692 24.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 40.459 17.401 25.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 41.414 18.318 26.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 39.822 17.909 26.904 1.00 0.00 H new ATOM 709 N LEU A 44 39.452 24.619 23.934 1.00 0.00 N ATOM 710 CA LEU A 44 40.273 25.048 22.802 1.00 0.00 C ATOM 711 C LEU A 44 39.407 25.517 21.638 1.00 0.00 C ATOM 712 O LEU A 44 39.912 25.806 20.554 1.00 0.00 O ATOM 713 CB LEU A 44 41.152 23.888 22.337 1.00 0.00 C ATOM 714 CG LEU A 44 42.245 23.602 23.377 1.00 0.00 C ATOM 715 CD1 LEU A 44 42.896 22.261 23.040 1.00 0.00 C ATOM 716 CD2 LEU A 44 43.317 24.713 23.364 1.00 0.00 C ATOM 0 H LEU A 44 39.682 25.072 24.818 1.00 0.00 H new ATOM 0 HA LEU A 44 40.893 25.882 23.131 1.00 0.00 H new ATOM 0 HB2 LEU A 44 40.542 22.998 22.186 1.00 0.00 H new ATOM 0 HB3 LEU A 44 41.608 24.129 21.377 1.00 0.00 H new ATOM 0 HG LEU A 44 41.797 23.571 24.370 1.00 0.00 H new ATOM 0 HD11 LEU A 44 43.676 22.042 23.769 1.00 0.00 H new ATOM 0 HD12 LEU A 44 42.142 21.474 23.067 1.00 0.00 H new ATOM 0 HD13 LEU A 44 43.335 22.310 22.043 1.00 0.00 H new ATOM 0 HD21 LEU A 44 44.081 24.490 24.108 1.00 0.00 H new ATOM 0 HD22 LEU A 44 43.776 24.764 22.377 1.00 0.00 H new ATOM 0 HD23 LEU A 44 42.852 25.671 23.598 1.00 0.00 H new ATOM 728 N ALA A 45 38.105 25.589 21.867 1.00 0.00 N ATOM 729 CA ALA A 45 37.183 26.026 20.824 1.00 0.00 C ATOM 730 C ALA A 45 37.505 27.448 20.381 1.00 0.00 C ATOM 731 O ALA A 45 37.452 27.765 19.193 1.00 0.00 O ATOM 732 CB ALA A 45 35.744 25.965 21.334 1.00 0.00 C ATOM 0 H ALA A 45 37.664 25.354 22.756 1.00 0.00 H new ATOM 0 HA ALA A 45 37.294 25.357 19.970 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.065 26.293 20.547 1.00 0.00 H new ATOM 0 HB2 ALA A 45 35.502 24.941 21.618 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.637 26.617 22.201 1.00 0.00 H new ATOM 738 N ASP A 46 37.837 28.303 21.344 1.00 0.00 N ATOM 739 CA ASP A 46 38.166 29.695 21.045 1.00 0.00 C ATOM 740 C ASP A 46 39.649 29.837 20.716 1.00 0.00 C ATOM 741 O ASP A 46 40.500 29.782 21.603 1.00 0.00 O ATOM 742 CB ASP A 46 37.824 30.581 22.244 1.00 0.00 C ATOM 743 CG ASP A 46 38.123 32.039 21.917 1.00 0.00 C ATOM 744 OD1 ASP A 46 38.675 32.285 20.858 1.00 0.00 O ATOM 745 OD2 ASP A 46 37.798 32.887 22.731 1.00 0.00 O1- ATOM 0 H ASP A 46 37.886 28.059 22.333 1.00 0.00 H new ATOM 0 HA ASP A 46 37.581 30.008 20.181 1.00 0.00 H new ATOM 0 HB2 ASP A 46 36.771 30.466 22.503 1.00 0.00 H new ATOM 0 HB3 ASP A 46 38.402 30.269 23.114 1.00 0.00 H new ATOM 750 N LYS A 47 39.951 30.020 19.434 1.00 0.00 N ATOM 751 CA LYS A 47 41.335 30.171 18.999 1.00 0.00 C ATOM 752 C LYS A 47 41.967 31.392 19.658 1.00 0.00 C ATOM 753 O LYS A 47 43.101 31.337 20.135 1.00 0.00 O ATOM 754 CB LYS A 47 41.388 30.315 17.474 1.00 0.00 C ATOM 755 CG LYS A 47 42.844 30.432 17.011 1.00 0.00 C ATOM 756 CD LYS A 47 42.886 30.525 15.485 1.00 0.00 C ATOM 757 CE LYS A 47 44.340 30.622 15.020 1.00 0.00 C ATOM 758 NZ LYS A 47 44.947 31.877 15.545 1.00 0.00 N1+ ATOM 0 H LYS A 47 39.262 30.067 18.684 1.00 0.00 H new ATOM 0 HA LYS A 47 41.895 29.284 19.295 1.00 0.00 H new ATOM 0 HB2 LYS A 47 40.915 29.454 17.002 1.00 0.00 H new ATOM 0 HB3 LYS A 47 40.827 31.196 17.164 1.00 0.00 H new ATOM 0 HG2 LYS A 47 43.308 31.314 17.453 1.00 0.00 H new ATOM 0 HG3 LYS A 47 43.415 29.568 17.350 1.00 0.00 H new ATOM 0 HD2 LYS A 47 42.409 29.650 15.043 1.00 0.00 H new ATOM 0 HD3 LYS A 47 42.326 31.397 15.148 1.00 0.00 H new ATOM 0 HE2 LYS A 47 44.904 29.758 15.372 1.00 0.00 H new ATOM 0 HE3 LYS A 47 44.386 30.611 13.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 45.785 32.120 14.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 44.253 32.650 15.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 45.227 31.739 16.537 1.00 0.00 H new ATOM 772 N GLN A 48 41.224 32.495 19.683 1.00 0.00 N ATOM 773 CA GLN A 48 41.715 33.730 20.287 1.00 0.00 C ATOM 774 C GLN A 48 40.550 34.597 20.756 1.00 0.00 C ATOM 775 O GLN A 48 39.426 34.453 20.279 1.00 0.00 O ATOM 776 CB GLN A 48 42.562 34.507 19.274 1.00 0.00 C ATOM 777 CG GLN A 48 41.708 34.870 18.058 1.00 0.00 C ATOM 778 CD GLN A 48 42.569 35.559 17.005 1.00 0.00 C ATOM 779 OE1 GLN A 48 43.184 36.588 17.282 1.00 0.00 O ATOM 780 NE2 GLN A 48 42.651 35.050 15.806 1.00 0.00 N ATOM 0 H GLN A 48 40.283 32.559 19.294 1.00 0.00 H new ATOM 0 HA GLN A 48 42.330 33.472 21.150 1.00 0.00 H new ATOM 0 HB2 GLN A 48 42.959 35.412 19.735 1.00 0.00 H new ATOM 0 HB3 GLN A 48 43.417 33.906 18.964 1.00 0.00 H new ATOM 0 HG2 GLN A 48 41.256 33.971 17.639 1.00 0.00 H new ATOM 0 HG3 GLN A 48 40.892 35.527 18.359 1.00 0.00 H new ATOM 0 HE21 GLN A 48 42.140 34.197 15.578 1.00 0.00 H new ATOM 0 HE22 GLN A 48 43.226 35.505 15.097 1.00 0.00 H new ATOM 789 N GLU A 49 40.829 35.497 21.693 1.00 0.00 N ATOM 790 CA GLU A 49 39.795 36.382 22.219 1.00 0.00 C ATOM 791 C GLU A 49 39.408 37.430 21.180 1.00 0.00 C ATOM 792 O GLU A 49 40.249 37.893 20.410 1.00 0.00 O ATOM 793 CB GLU A 49 40.296 37.076 23.487 1.00 0.00 C ATOM 794 CG GLU A 49 40.646 36.025 24.542 1.00 0.00 C ATOM 795 CD GLU A 49 39.384 35.294 24.988 1.00 0.00 C ATOM 796 OE1 GLU A 49 38.309 35.834 24.791 1.00 0.00 O ATOM 797 OE2 GLU A 49 39.512 34.204 25.522 1.00 0.00 O1- ATOM 0 H GLU A 49 41.754 35.633 22.101 1.00 0.00 H new ATOM 0 HA GLU A 49 38.917 35.782 22.458 1.00 0.00 H new ATOM 0 HB2 GLU A 49 41.172 37.683 23.259 1.00 0.00 H new ATOM 0 HB3 GLU A 49 39.531 37.751 23.871 1.00 0.00 H new ATOM 0 HG2 GLU A 49 41.364 35.313 24.134 1.00 0.00 H new ATOM 0 HG3 GLU A 49 41.122 36.502 25.399 1.00 0.00 H new ATOM 804 N HIS A 50 38.132 37.798 21.165 1.00 0.00 N ATOM 805 CA HIS A 50 37.644 38.793 20.217 1.00 0.00 C ATOM 806 C HIS A 50 38.209 40.171 20.548 1.00 0.00 C ATOM 807 O HIS A 50 38.169 41.084 19.724 1.00 0.00 O ATOM 808 CB HIS A 50 36.115 38.842 20.252 1.00 0.00 C ATOM 809 CG HIS A 50 35.659 39.350 21.592 1.00 0.00 C ATOM 810 ND1 HIS A 50 35.632 38.543 22.718 1.00 0.00 N ATOM 811 CD2 HIS A 50 35.208 40.580 22.002 1.00 0.00 C ATOM 812 CE1 HIS A 50 35.178 39.289 23.742 1.00 0.00 C ATOM 813 NE2 HIS A 50 34.905 40.539 23.360 1.00 0.00 N ATOM 0 H HIS A 50 37.421 37.425 21.794 1.00 0.00 H new ATOM 0 HA HIS A 50 37.974 38.509 19.218 1.00 0.00 H new ATOM 0 HB2 HIS A 50 35.743 39.492 19.459 1.00 0.00 H new ATOM 0 HB3 HIS A 50 35.705 37.849 20.069 1.00 0.00 H new ATOM 0 HD2 HIS A 50 35.104 41.448 21.367 1.00 0.00 H new ATOM 0 HE1 HIS A 50 35.050 38.922 24.749 1.00 0.00 H new ATOM 0 HE2 HIS A 50 34.551 41.300 23.939 1.00 0.00 H new ATOM 821 N LEU A 51 38.736 40.313 21.760 1.00 0.00 N ATOM 822 CA LEU A 51 39.306 41.584 22.191 1.00 0.00 C ATOM 823 C LEU A 51 40.479 41.971 21.294 1.00 0.00 C ATOM 824 O LEU A 51 40.600 43.124 20.879 1.00 0.00 O ATOM 825 CB LEU A 51 39.773 41.472 23.648 1.00 0.00 C ATOM 826 CG LEU A 51 40.394 42.796 24.124 1.00 0.00 C ATOM 827 CD1 LEU A 51 39.359 43.931 24.034 1.00 0.00 C ATOM 828 CD2 LEU A 51 40.852 42.634 25.577 1.00 0.00 C ATOM 0 H LEU A 51 38.780 39.569 22.457 1.00 0.00 H new ATOM 0 HA LEU A 51 38.542 42.358 22.116 1.00 0.00 H new ATOM 0 HB2 LEU A 51 38.929 41.210 24.286 1.00 0.00 H new ATOM 0 HB3 LEU A 51 40.504 40.668 23.740 1.00 0.00 H new ATOM 0 HG LEU A 51 41.244 43.046 23.489 1.00 0.00 H new ATOM 0 HD11 LEU A 51 39.811 44.863 24.374 1.00 0.00 H new ATOM 0 HD12 LEU A 51 39.030 44.043 23.001 1.00 0.00 H new ATOM 0 HD13 LEU A 51 38.502 43.693 24.664 1.00 0.00 H new ATOM 0 HD21 LEU A 51 41.294 43.567 25.925 1.00 0.00 H new ATOM 0 HD22 LEU A 51 39.996 42.383 26.203 1.00 0.00 H new ATOM 0 HD23 LEU A 51 41.593 41.837 25.638 1.00 0.00 H new ATOM 840 N ASP A 52 41.338 41.001 20.999 1.00 0.00 N ATOM 841 CA ASP A 52 42.498 41.252 20.150 1.00 0.00 C ATOM 842 C ASP A 52 43.322 42.415 20.699 1.00 0.00 C ATOM 843 O ASP A 52 43.857 43.220 19.936 1.00 0.00 O ATOM 844 CB ASP A 52 42.040 41.581 18.728 1.00 0.00 C ATOM 845 CG ASP A 52 41.441 40.340 18.073 1.00 0.00 C ATOM 846 OD1 ASP A 52 41.651 39.258 18.598 1.00 0.00 O ATOM 847 OD2 ASP A 52 40.780 40.491 17.059 1.00 0.00 O1- ATOM 0 H ASP A 52 41.255 40.041 21.332 1.00 0.00 H new ATOM 0 HA ASP A 52 43.117 40.355 20.137 1.00 0.00 H new ATOM 0 HB2 ASP A 52 41.302 42.382 18.751 1.00 0.00 H new ATOM 0 HB3 ASP A 52 42.884 41.942 18.140 1.00 0.00 H new ATOM 852 N GLY A 53 43.420 42.502 22.025 1.00 0.00 N ATOM 853 CA GLY A 53 44.182 43.574 22.655 1.00 0.00 C ATOM 854 C GLY A 53 45.677 43.257 22.647 1.00 0.00 C ATOM 855 O GLY A 53 46.088 42.193 22.185 1.00 0.00 O ATOM 0 H GLY A 53 42.985 41.849 22.677 1.00 0.00 H new ATOM 0 HA2 GLY A 53 44.002 44.511 22.129 1.00 0.00 H new ATOM 0 HA3 GLY A 53 43.841 43.714 23.681 1.00 0.00 H new ATOM 859 N ALA A 54 46.489 44.182 23.158 1.00 0.00 N ATOM 860 CA ALA A 54 47.932 43.977 23.198 1.00 0.00 C ATOM 861 C ALA A 54 48.283 42.796 24.096 1.00 0.00 C ATOM 862 O ALA A 54 47.647 42.576 25.127 1.00 0.00 O ATOM 863 CB ALA A 54 48.624 45.238 23.717 1.00 0.00 C ATOM 0 H ALA A 54 46.174 45.071 23.546 1.00 0.00 H new ATOM 0 HA ALA A 54 48.277 43.763 22.186 1.00 0.00 H new ATOM 0 HB1 ALA A 54 49.702 45.077 23.744 1.00 0.00 H new ATOM 0 HB2 ALA A 54 48.399 46.075 23.056 1.00 0.00 H new ATOM 0 HB3 ALA A 54 48.266 45.462 24.722 1.00 0.00 H new ATOM 869 N LEU A 55 49.299 42.035 23.696 1.00 0.00 N ATOM 870 CA LEU A 55 49.731 40.873 24.470 1.00 0.00 C ATOM 871 C LEU A 55 50.681 41.307 25.589 1.00 0.00 C ATOM 872 O LEU A 55 50.817 42.498 25.867 1.00 0.00 O ATOM 873 CB LEU A 55 50.438 39.869 23.558 1.00 0.00 C ATOM 874 CG LEU A 55 49.520 39.479 22.393 1.00 0.00 C ATOM 875 CD1 LEU A 55 50.265 38.508 21.471 1.00 0.00 C ATOM 876 CD2 LEU A 55 48.243 38.806 22.928 1.00 0.00 C ATOM 0 H LEU A 55 49.836 42.200 22.845 1.00 0.00 H new ATOM 0 HA LEU A 55 48.852 40.402 24.911 1.00 0.00 H new ATOM 0 HB2 LEU A 55 51.362 40.302 23.174 1.00 0.00 H new ATOM 0 HB3 LEU A 55 50.714 38.981 24.127 1.00 0.00 H new ATOM 0 HG LEU A 55 49.240 40.375 21.839 1.00 0.00 H new ATOM 0 HD11 LEU A 55 49.618 38.226 20.640 1.00 0.00 H new ATOM 0 HD12 LEU A 55 51.163 38.990 21.084 1.00 0.00 H new ATOM 0 HD13 LEU A 55 50.545 37.616 22.032 1.00 0.00 H new ATOM 0 HD21 LEU A 55 47.598 38.533 22.093 1.00 0.00 H new ATOM 0 HD22 LEU A 55 48.511 37.910 23.487 1.00 0.00 H new ATOM 0 HD23 LEU A 55 47.714 39.498 23.583 1.00 0.00 H new ATOM 888 N ARG A 56 51.338 40.338 26.233 1.00 0.00 N ATOM 889 CA ARG A 56 52.264 40.653 27.315 1.00 0.00 C ATOM 890 C ARG A 56 53.403 41.534 26.807 1.00 0.00 C ATOM 891 O ARG A 56 53.788 42.503 27.461 1.00 0.00 O ATOM 892 CB ARG A 56 52.831 39.362 27.910 1.00 0.00 C ATOM 893 CG ARG A 56 53.785 39.703 29.057 1.00 0.00 C ATOM 894 CD ARG A 56 54.198 38.418 29.776 1.00 0.00 C ATOM 895 NE ARG A 56 54.931 37.540 28.870 1.00 0.00 N ATOM 896 CZ ARG A 56 55.253 36.300 29.225 1.00 0.00 C ATOM 897 NH1 ARG A 56 55.908 35.533 28.396 1.00 0.00 N1+ ATOM 898 NH2 ARG A 56 54.913 35.850 30.401 1.00 0.00 N ATOM 0 H ARG A 56 51.246 39.344 26.025 1.00 0.00 H new ATOM 0 HA ARG A 56 51.721 41.197 28.088 1.00 0.00 H new ATOM 0 HB2 ARG A 56 52.021 38.730 28.273 1.00 0.00 H new ATOM 0 HB3 ARG A 56 53.357 38.796 27.142 1.00 0.00 H new ATOM 0 HG2 ARG A 56 54.666 40.216 28.671 1.00 0.00 H new ATOM 0 HG3 ARG A 56 53.301 40.384 29.757 1.00 0.00 H new ATOM 0 HD2 ARG A 56 54.818 38.660 30.639 1.00 0.00 H new ATOM 0 HD3 ARG A 56 53.314 37.905 30.153 1.00 0.00 H new ATOM 0 HE ARG A 56 55.201 37.884 27.948 1.00 0.00 H new ATOM 0 HH11 ARG A 56 56.173 35.885 27.476 1.00 0.00 H new ATOM 0 HH12 ARG A 56 56.155 34.582 28.668 1.00 0.00 H new ATOM 0 HH21 ARG A 56 54.400 36.449 31.048 1.00 0.00 H new ATOM 0 HH22 ARG A 56 55.160 34.899 30.674 1.00 0.00 H new ATOM 912 N TYR A 57 53.937 41.194 25.635 1.00 0.00 N ATOM 913 CA TYR A 57 55.031 41.965 25.046 1.00 0.00 C ATOM 914 C TYR A 57 54.993 41.865 23.523 1.00 0.00 C ATOM 915 O TYR A 57 55.076 42.897 22.879 1.00 0.00 O ATOM 916 CB TYR A 57 56.377 41.447 25.558 1.00 0.00 C ATOM 917 CG TYR A 57 56.599 40.039 25.061 1.00 0.00 C ATOM 918 CD1 TYR A 57 57.248 39.822 23.839 1.00 0.00 C ATOM 919 CD2 TYR A 57 56.158 38.950 25.821 1.00 0.00 C ATOM 920 CE1 TYR A 57 57.455 38.517 23.377 1.00 0.00 C ATOM 921 CE2 TYR A 57 56.364 37.644 25.359 1.00 0.00 C ATOM 922 CZ TYR A 57 57.013 37.428 24.137 1.00 0.00 C ATOM 923 OH TYR A 57 57.216 36.141 23.682 1.00 0.00 O ATOM 924 OXT TYR A 57 54.884 40.757 23.025 1.00 0.00 O ATOM 0 H TYR A 57 53.633 40.396 25.078 1.00 0.00 H new ATOM 0 HA TYR A 57 54.912 43.008 25.338 1.00 0.00 H new ATOM 0 HB2 TYR A 57 57.183 42.096 25.215 1.00 0.00 H new ATOM 0 HB3 TYR A 57 56.395 41.466 26.648 1.00 0.00 H new ATOM 0 HD1 TYR A 57 57.589 40.662 23.253 1.00 0.00 H new ATOM 0 HD2 TYR A 57 55.659 39.117 26.764 1.00 0.00 H new ATOM 0 HE1 TYR A 57 57.956 38.351 22.435 1.00 0.00 H new ATOM 0 HE2 TYR A 57 56.022 36.804 25.945 1.00 0.00 H new ATOM 0 HH TYR A 57 56.850 35.503 24.330 1.00 0.00 H new TER 934 TYR A 57