USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 481 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 ALA N :NH3+ -113:sc= 0.088 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00351 USER MOD Single : A 3 MET CE :methyl 165:sc= -0.0593 (180deg=-0.408) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= -0.0469 (180deg=-0.303) USER MOD Single : A 10 SER OG : rot 65:sc= 0.446 USER MOD Single : A 11 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.26) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-8.9!) USER MOD Single : A 22 LYS NZ :NH3+ -168:sc=-0.00894 (180deg=-0.186) USER MOD Single : A 23 SER OG : rot 69:sc= 1.01 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.00234 USER MOD Single : A 31 SER OG : rot 72:sc= 1.23 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 170:sc=-0.00776 (180deg=-0.114) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= -0.0286 (180deg=-0.198) USER MOD Single : A 50 HIS :FLIP no HE2:sc= 0.136 F(o=-0.59,f=0.14) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 76:sc= 0.147 USER MOD Single : A 54 THR OG1 : rot -64:sc= 0.956 USER MOD Single : A 55 GLN : amide:sc= 0.624 X(o=0.62,f=0.35) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 HIS : no HD1:sc=-0.000772 X(o=-0.00077,f=-0.0049) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 49.857 -3.633 -31.380 1.00 0.00 N ATOM 2 CA ALA A 1 51.050 -3.295 -30.593 1.00 0.00 C ATOM 3 C ALA A 1 51.157 -4.199 -29.373 1.00 0.00 C ATOM 4 O ALA A 1 50.175 -4.828 -28.969 1.00 0.00 O ATOM 5 CB ALA A 1 51.006 -1.835 -30.172 1.00 0.00 C ATOM 0 H1 ALA A 1 50.147 -4.028 -32.297 1.00 0.00 H new ATOM 0 H2 ALA A 1 49.289 -4.335 -30.865 1.00 0.00 H new ATOM 0 H3 ALA A 1 49.290 -2.775 -31.536 1.00 0.00 H new ATOM 0 HA ALA A 1 51.932 -3.451 -31.214 1.00 0.00 H new ATOM 0 HB1 ALA A 1 51.896 -1.597 -29.589 1.00 0.00 H new ATOM 0 HB2 ALA A 1 50.973 -1.202 -31.058 1.00 0.00 H new ATOM 0 HB3 ALA A 1 50.118 -1.658 -29.566 1.00 0.00 H new ATOM 13 N SER A 2 52.340 -4.266 -28.791 1.00 0.00 N ATOM 14 CA SER A 2 52.563 -5.094 -27.628 1.00 0.00 C ATOM 15 C SER A 2 52.381 -4.281 -26.352 1.00 0.00 C ATOM 16 O SER A 2 52.485 -3.048 -26.368 1.00 0.00 O ATOM 17 CB SER A 2 53.961 -5.722 -27.684 1.00 0.00 C ATOM 18 OG SER A 2 54.953 -4.744 -27.959 1.00 0.00 O ATOM 0 H SER A 2 53.162 -3.753 -29.109 1.00 0.00 H new ATOM 0 HA SER A 2 51.827 -5.898 -27.623 1.00 0.00 H new ATOM 0 HB2 SER A 2 54.181 -6.210 -26.735 1.00 0.00 H new ATOM 0 HB3 SER A 2 53.985 -6.494 -28.453 1.00 0.00 H new ATOM 0 HG SER A 2 55.835 -5.171 -27.987 1.00 0.00 H new ATOM 24 N MET A 3 52.092 -4.960 -25.262 1.00 0.00 N ATOM 25 CA MET A 3 51.882 -4.298 -23.992 1.00 0.00 C ATOM 26 C MET A 3 53.113 -4.400 -23.112 1.00 0.00 C ATOM 27 O MET A 3 53.570 -5.498 -22.787 1.00 0.00 O ATOM 28 CB MET A 3 50.668 -4.889 -23.269 1.00 0.00 C ATOM 29 CG MET A 3 50.479 -4.362 -21.854 1.00 0.00 C ATOM 30 SD MET A 3 48.938 -4.917 -21.095 1.00 0.00 S ATOM 31 CE MET A 3 49.163 -6.694 -21.112 1.00 0.00 C ATOM 0 H MET A 3 51.997 -5.975 -25.230 1.00 0.00 H new ATOM 0 HA MET A 3 51.692 -3.244 -24.194 1.00 0.00 H new ATOM 0 HB2 MET A 3 49.771 -4.674 -23.850 1.00 0.00 H new ATOM 0 HB3 MET A 3 50.771 -5.973 -23.232 1.00 0.00 H new ATOM 0 HG2 MET A 3 51.318 -4.684 -21.237 1.00 0.00 H new ATOM 0 HG3 MET A 3 50.497 -3.272 -21.873 1.00 0.00 H new ATOM 0 HE1 MET A 3 48.434 -7.159 -20.448 1.00 0.00 H new ATOM 0 HE2 MET A 3 49.022 -7.069 -22.126 1.00 0.00 H new ATOM 0 HE3 MET A 3 50.170 -6.937 -20.772 1.00 0.00 H new ATOM 41 N GLY A 4 53.642 -3.259 -22.733 1.00 0.00 N ATOM 42 CA GLY A 4 54.788 -3.229 -21.865 1.00 0.00 C ATOM 43 C GLY A 4 54.374 -3.020 -20.434 1.00 0.00 C ATOM 44 O GLY A 4 54.338 -1.885 -19.949 1.00 0.00 O ATOM 0 H GLY A 4 53.295 -2.342 -23.014 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.341 -4.164 -21.955 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.461 -2.429 -22.173 1.00 0.00 H new ATOM 48 N LYS A 5 54.045 -4.110 -19.754 1.00 0.00 N ATOM 49 CA LYS A 5 53.587 -4.036 -18.378 1.00 0.00 C ATOM 50 C LYS A 5 54.686 -3.544 -17.458 1.00 0.00 C ATOM 51 O LYS A 5 55.839 -3.972 -17.555 1.00 0.00 O ATOM 52 CB LYS A 5 53.050 -5.385 -17.885 1.00 0.00 C ATOM 53 CG LYS A 5 54.036 -6.540 -17.992 1.00 0.00 C ATOM 54 CD LYS A 5 53.619 -7.708 -17.108 1.00 0.00 C ATOM 55 CE LYS A 5 52.192 -8.148 -17.388 1.00 0.00 C ATOM 56 NZ LYS A 5 51.772 -9.264 -16.504 1.00 0.00 N ATOM 0 H LYS A 5 54.088 -5.055 -20.135 1.00 0.00 H new ATOM 0 HA LYS A 5 52.768 -3.317 -18.356 1.00 0.00 H new ATOM 0 HB2 LYS A 5 52.745 -5.281 -16.844 1.00 0.00 H new ATOM 0 HB3 LYS A 5 52.155 -5.635 -18.455 1.00 0.00 H new ATOM 0 HG2 LYS A 5 54.101 -6.871 -19.029 1.00 0.00 H new ATOM 0 HG3 LYS A 5 55.031 -6.200 -17.703 1.00 0.00 H new ATOM 0 HD2 LYS A 5 54.296 -8.546 -17.271 1.00 0.00 H new ATOM 0 HD3 LYS A 5 53.712 -7.422 -16.060 1.00 0.00 H new ATOM 0 HE2 LYS A 5 51.518 -7.303 -17.250 1.00 0.00 H new ATOM 0 HE3 LYS A 5 52.106 -8.458 -18.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 50.793 -9.534 -16.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 52.399 -10.080 -16.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 51.830 -8.961 -15.511 1.00 0.00 H new ATOM 70 N SER A 6 54.324 -2.645 -16.580 1.00 0.00 N ATOM 71 CA SER A 6 55.244 -2.078 -15.637 1.00 0.00 C ATOM 72 C SER A 6 54.468 -1.484 -14.479 1.00 0.00 C ATOM 73 O SER A 6 53.783 -0.472 -14.636 1.00 0.00 O ATOM 74 CB SER A 6 56.100 -1.001 -16.320 1.00 0.00 C ATOM 75 OG SER A 6 57.114 -0.516 -15.456 1.00 0.00 O ATOM 0 H SER A 6 53.373 -2.285 -16.501 1.00 0.00 H new ATOM 0 HA SER A 6 55.908 -2.856 -15.260 1.00 0.00 H new ATOM 0 HB2 SER A 6 56.555 -1.414 -17.220 1.00 0.00 H new ATOM 0 HB3 SER A 6 55.463 -0.174 -16.635 1.00 0.00 H new ATOM 0 HG SER A 6 57.642 0.166 -15.921 1.00 0.00 H new ATOM 81 N LYS A 7 54.541 -2.129 -13.334 1.00 0.00 N ATOM 82 CA LYS A 7 53.845 -1.655 -12.155 1.00 0.00 C ATOM 83 C LYS A 7 54.561 -0.456 -11.560 1.00 0.00 C ATOM 84 O LYS A 7 55.780 -0.480 -11.361 1.00 0.00 O ATOM 85 CB LYS A 7 53.694 -2.774 -11.109 1.00 0.00 C ATOM 86 CG LYS A 7 52.531 -3.736 -11.375 1.00 0.00 C ATOM 87 CD LYS A 7 52.693 -4.489 -12.691 1.00 0.00 C ATOM 88 CE LYS A 7 51.483 -5.364 -12.992 1.00 0.00 C ATOM 89 NZ LYS A 7 50.240 -4.564 -13.144 1.00 0.00 N ATOM 0 H LYS A 7 55.077 -2.986 -13.194 1.00 0.00 H new ATOM 0 HA LYS A 7 52.845 -1.345 -12.457 1.00 0.00 H new ATOM 0 HB2 LYS A 7 54.621 -3.346 -11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 7 53.558 -2.321 -10.127 1.00 0.00 H new ATOM 0 HG2 LYS A 7 52.460 -4.452 -10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 7 51.596 -3.176 -11.392 1.00 0.00 H new ATOM 0 HD2 LYS A 7 52.838 -3.776 -13.503 1.00 0.00 H new ATOM 0 HD3 LYS A 7 53.589 -5.109 -12.648 1.00 0.00 H new ATOM 0 HE2 LYS A 7 51.664 -5.930 -13.906 1.00 0.00 H new ATOM 0 HE3 LYS A 7 51.351 -6.089 -12.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 49.504 -5.147 -13.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 49.912 -4.250 -12.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 50.432 -3.733 -13.740 1.00 0.00 H new ATOM 103 N GLU A 8 53.806 0.596 -11.303 1.00 0.00 N ATOM 104 CA GLU A 8 54.351 1.817 -10.745 1.00 0.00 C ATOM 105 C GLU A 8 54.852 1.573 -9.329 1.00 0.00 C ATOM 106 O GLU A 8 54.254 0.795 -8.577 1.00 0.00 O ATOM 107 CB GLU A 8 53.287 2.923 -10.758 1.00 0.00 C ATOM 108 CG GLU A 8 53.795 4.287 -10.316 1.00 0.00 C ATOM 109 CD GLU A 8 54.998 4.741 -11.113 1.00 0.00 C ATOM 110 OE1 GLU A 8 54.835 5.111 -12.295 1.00 0.00 O ATOM 111 OE2 GLU A 8 56.115 4.733 -10.562 1.00 0.00 O ATOM 0 H GLU A 8 52.801 0.627 -11.475 1.00 0.00 H new ATOM 0 HA GLU A 8 55.194 2.139 -11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 8 52.881 3.009 -11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 8 52.464 2.627 -10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 8 52.996 5.021 -10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 8 54.057 4.249 -9.259 1.00 0.00 H new ATOM 118 N ILE A 9 55.950 2.231 -8.972 1.00 0.00 N ATOM 119 CA ILE A 9 56.535 2.081 -7.651 1.00 0.00 C ATOM 120 C ILE A 9 55.596 2.643 -6.597 1.00 0.00 C ATOM 121 O ILE A 9 55.592 3.842 -6.316 1.00 0.00 O ATOM 122 CB ILE A 9 57.917 2.779 -7.549 1.00 0.00 C ATOM 123 CG1 ILE A 9 58.862 2.266 -8.646 1.00 0.00 C ATOM 124 CG2 ILE A 9 58.533 2.560 -6.167 1.00 0.00 C ATOM 125 CD1 ILE A 9 59.145 0.776 -8.576 1.00 0.00 C ATOM 0 H ILE A 9 56.452 2.875 -9.584 1.00 0.00 H new ATOM 0 HA ILE A 9 56.685 1.015 -7.478 1.00 0.00 H new ATOM 0 HB ILE A 9 57.770 3.849 -7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 9 58.430 2.497 -9.620 1.00 0.00 H new ATOM 0 HG13 ILE A 9 59.806 2.807 -8.579 1.00 0.00 H new ATOM 0 HG21 ILE A 9 59.501 3.058 -6.117 1.00 0.00 H new ATOM 0 HG22 ILE A 9 57.873 2.974 -5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 9 58.665 1.492 -5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 9 59.820 0.495 -9.385 1.00 0.00 H new ATOM 0 HD12 ILE A 9 59.608 0.538 -7.618 1.00 0.00 H new ATOM 0 HD13 ILE A 9 58.211 0.223 -8.675 1.00 0.00 H new ATOM 137 N SER A 10 54.780 1.779 -6.052 1.00 0.00 N ATOM 138 CA SER A 10 53.810 2.156 -5.060 1.00 0.00 C ATOM 139 C SER A 10 54.295 1.784 -3.667 1.00 0.00 C ATOM 140 O SER A 10 53.513 1.723 -2.733 1.00 0.00 O ATOM 141 CB SER A 10 52.485 1.467 -5.368 1.00 0.00 C ATOM 142 OG SER A 10 52.120 1.676 -6.727 1.00 0.00 O ATOM 0 H SER A 10 54.771 0.786 -6.287 1.00 0.00 H new ATOM 0 HA SER A 10 53.670 3.237 -5.087 1.00 0.00 H new ATOM 0 HB2 SER A 10 52.568 0.399 -5.168 1.00 0.00 H new ATOM 0 HB3 SER A 10 51.705 1.854 -4.712 1.00 0.00 H new ATOM 0 HG SER A 10 52.771 1.234 -7.312 1.00 0.00 H new ATOM 148 N GLN A 11 55.598 1.553 -3.542 1.00 0.00 N ATOM 149 CA GLN A 11 56.200 1.149 -2.274 1.00 0.00 C ATOM 150 C GLN A 11 55.902 2.161 -1.164 1.00 0.00 C ATOM 151 O GLN A 11 55.386 1.798 -0.102 1.00 0.00 O ATOM 152 CB GLN A 11 57.712 0.980 -2.433 1.00 0.00 C ATOM 153 CG GLN A 11 58.388 0.366 -1.219 1.00 0.00 C ATOM 154 CD GLN A 11 57.927 -1.053 -0.959 1.00 0.00 C ATOM 155 OE1 GLN A 11 56.954 -1.286 -0.242 1.00 0.00 O ATOM 156 NE2 GLN A 11 58.620 -2.010 -1.539 1.00 0.00 N ATOM 0 H GLN A 11 56.263 1.639 -4.310 1.00 0.00 H new ATOM 0 HA GLN A 11 55.759 0.194 -1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 11 57.909 0.354 -3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 11 58.159 1.954 -2.633 1.00 0.00 H new ATOM 0 HG2 GLN A 11 59.468 0.373 -1.365 1.00 0.00 H new ATOM 0 HG3 GLN A 11 58.181 0.979 -0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 11 59.420 -1.776 -2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 11 58.357 -2.986 -1.401 1.00 0.00 H new ATOM 165 N ASP A 12 56.214 3.428 -1.421 1.00 0.00 N ATOM 166 CA ASP A 12 55.997 4.488 -0.436 1.00 0.00 C ATOM 167 C ASP A 12 54.523 4.646 -0.128 1.00 0.00 C ATOM 168 O ASP A 12 54.130 4.744 1.034 1.00 0.00 O ATOM 169 CB ASP A 12 56.570 5.824 -0.919 1.00 0.00 C ATOM 170 CG ASP A 12 58.077 5.817 -1.025 1.00 0.00 C ATOM 171 OD1 ASP A 12 58.752 6.055 -0.005 1.00 0.00 O ATOM 172 OD2 ASP A 12 58.599 5.580 -2.128 1.00 0.00 O ATOM 0 H ASP A 12 56.618 3.748 -2.302 1.00 0.00 H new ATOM 0 HA ASP A 12 56.520 4.196 0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 12 56.144 6.065 -1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 12 56.263 6.614 -0.233 1.00 0.00 H new ATOM 177 N LEU A 13 53.712 4.657 -1.172 1.00 0.00 N ATOM 178 CA LEU A 13 52.276 4.813 -1.024 1.00 0.00 C ATOM 179 C LEU A 13 51.676 3.641 -0.254 1.00 0.00 C ATOM 180 O LEU A 13 50.812 3.828 0.598 1.00 0.00 O ATOM 181 CB LEU A 13 51.605 4.938 -2.398 1.00 0.00 C ATOM 182 CG LEU A 13 50.084 5.138 -2.382 1.00 0.00 C ATOM 183 CD1 LEU A 13 49.718 6.463 -1.729 1.00 0.00 C ATOM 184 CD2 LEU A 13 49.521 5.063 -3.792 1.00 0.00 C ATOM 0 H LEU A 13 54.027 4.559 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 13 52.094 5.726 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 13 52.057 5.777 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 13 51.828 4.040 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 13 49.642 4.336 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 13 48.635 6.582 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 13 50.084 6.476 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 13 50.173 7.281 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 13 48.441 5.207 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 13 49.973 5.842 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 13 49.744 4.086 -4.222 1.00 0.00 H new ATOM 196 N ARG A 14 52.152 2.438 -0.550 1.00 0.00 N ATOM 197 CA ARG A 14 51.643 1.236 0.090 1.00 0.00 C ATOM 198 C ARG A 14 51.939 1.223 1.583 1.00 0.00 C ATOM 199 O ARG A 14 51.033 1.057 2.389 1.00 0.00 O ATOM 200 CB ARG A 14 52.204 -0.026 -0.569 1.00 0.00 C ATOM 201 CG ARG A 14 51.699 -1.308 0.068 1.00 0.00 C ATOM 202 CD ARG A 14 52.185 -2.541 -0.669 1.00 0.00 C ATOM 203 NE ARG A 14 51.715 -3.761 -0.017 1.00 0.00 N ATOM 204 CZ ARG A 14 51.316 -4.863 -0.654 1.00 0.00 C ATOM 205 NH1 ARG A 14 51.367 -4.930 -1.984 1.00 0.00 N ATOM 206 NH2 ARG A 14 50.873 -5.901 0.046 1.00 0.00 N ATOM 0 H ARG A 14 52.892 2.271 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 14 50.561 1.244 -0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 14 51.939 -0.024 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 14 53.292 -0.004 -0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 14 52.031 -1.352 1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 14 50.609 -1.301 0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 14 51.831 -2.516 -1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 14 53.274 -2.541 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 14 51.690 -3.771 1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 14 51.713 -4.135 -2.522 1.00 0.00 H new ATOM 0 HH12 ARG A 14 51.060 -5.776 -2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 14 50.839 -5.852 1.064 1.00 0.00 H new ATOM 0 HH22 ARG A 14 50.566 -6.747 -0.435 1.00 0.00 H new ATOM 220 N LYS A 15 53.200 1.409 1.953 1.00 0.00 N ATOM 221 CA LYS A 15 53.568 1.380 3.366 1.00 0.00 C ATOM 222 C LYS A 15 52.862 2.496 4.137 1.00 0.00 C ATOM 223 O LYS A 15 52.521 2.338 5.315 1.00 0.00 O ATOM 224 CB LYS A 15 55.094 1.447 3.557 1.00 0.00 C ATOM 225 CG LYS A 15 55.745 2.750 3.120 1.00 0.00 C ATOM 226 CD LYS A 15 57.253 2.692 3.313 1.00 0.00 C ATOM 227 CE LYS A 15 57.916 4.026 3.007 1.00 0.00 C ATOM 228 NZ LYS A 15 59.392 3.949 3.142 1.00 0.00 N ATOM 0 H LYS A 15 53.973 1.579 1.310 1.00 0.00 H new ATOM 0 HA LYS A 15 53.234 0.426 3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 15 55.320 1.282 4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 15 55.550 0.628 3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 15 55.515 2.943 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 15 55.332 3.579 3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 15 57.477 2.403 4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 15 57.672 1.921 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 15 57.659 4.336 1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 15 57.528 4.789 3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 59.809 4.877 2.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 59.638 3.677 4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 59.765 3.239 2.480 1.00 0.00 H new ATOM 242 N LYS A 16 52.618 3.612 3.459 1.00 0.00 N ATOM 243 CA LYS A 16 51.927 4.725 4.070 1.00 0.00 C ATOM 244 C LYS A 16 50.441 4.415 4.229 1.00 0.00 C ATOM 245 O LYS A 16 49.873 4.607 5.303 1.00 0.00 O ATOM 246 CB LYS A 16 52.105 6.005 3.248 1.00 0.00 C ATOM 247 CG LYS A 16 51.415 7.214 3.861 1.00 0.00 C ATOM 248 CD LYS A 16 51.464 8.421 2.945 1.00 0.00 C ATOM 249 CE LYS A 16 50.675 9.581 3.534 1.00 0.00 C ATOM 250 NZ LYS A 16 50.572 10.719 2.591 1.00 0.00 N ATOM 0 H LYS A 16 52.891 3.763 2.488 1.00 0.00 H new ATOM 0 HA LYS A 16 52.364 4.883 5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 16 53.169 6.217 3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 16 51.713 5.842 2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 16 50.376 6.967 4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 16 51.890 7.460 4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 16 52.500 8.722 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 16 51.058 8.158 1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 16 49.675 9.240 3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 16 51.154 9.915 4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 50.027 11.487 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 51.525 11.062 2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 50.091 10.408 1.723 1.00 0.00 H new ATOM 264 N ILE A 17 49.816 3.910 3.162 1.00 0.00 N ATOM 265 CA ILE A 17 48.388 3.614 3.192 1.00 0.00 C ATOM 266 C ILE A 17 48.070 2.550 4.248 1.00 0.00 C ATOM 267 O ILE A 17 46.959 2.505 4.779 1.00 0.00 O ATOM 268 CB ILE A 17 47.831 3.188 1.795 1.00 0.00 C ATOM 269 CG1 ILE A 17 46.304 3.307 1.774 1.00 0.00 C ATOM 270 CG2 ILE A 17 48.253 1.767 1.442 1.00 0.00 C ATOM 271 CD1 ILE A 17 45.681 2.992 0.428 1.00 0.00 C ATOM 0 H ILE A 17 50.275 3.700 2.275 1.00 0.00 H new ATOM 0 HA ILE A 17 47.884 4.541 3.465 1.00 0.00 H new ATOM 0 HB ILE A 17 48.251 3.860 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 17 45.887 2.634 2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 17 46.024 4.320 2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 17 47.850 1.500 0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 17 49.341 1.707 1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 17 47.870 1.076 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 17 44.598 3.098 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 17 46.068 3.681 -0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 17 45.928 1.969 0.143 1.00 0.00 H new ATOM 283 N VAL A 18 49.050 1.699 4.553 1.00 0.00 N ATOM 284 CA VAL A 18 48.887 0.694 5.593 1.00 0.00 C ATOM 285 C VAL A 18 48.664 1.373 6.944 1.00 0.00 C ATOM 286 O VAL A 18 47.737 1.026 7.681 1.00 0.00 O ATOM 287 CB VAL A 18 50.112 -0.258 5.676 1.00 0.00 C ATOM 288 CG1 VAL A 18 50.002 -1.181 6.878 1.00 0.00 C ATOM 289 CG2 VAL A 18 50.236 -1.079 4.402 1.00 0.00 C ATOM 0 H VAL A 18 49.961 1.689 4.094 1.00 0.00 H new ATOM 0 HA VAL A 18 48.016 0.091 5.336 1.00 0.00 H new ATOM 0 HB VAL A 18 51.006 0.355 5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 18 50.872 -1.837 6.914 1.00 0.00 H new ATOM 0 HG12 VAL A 18 49.959 -0.586 7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 18 49.097 -1.782 6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 18 51.099 -1.740 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 18 49.334 -1.675 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 18 50.364 -0.411 3.550 1.00 0.00 H new ATOM 299 N ASP A 19 49.496 2.367 7.245 1.00 0.00 N ATOM 300 CA ASP A 19 49.368 3.124 8.492 1.00 0.00 C ATOM 301 C ASP A 19 48.048 3.886 8.511 1.00 0.00 C ATOM 302 O ASP A 19 47.360 3.947 9.534 1.00 0.00 O ATOM 303 CB ASP A 19 50.534 4.102 8.654 1.00 0.00 C ATOM 304 CG ASP A 19 50.457 4.889 9.949 1.00 0.00 C ATOM 305 OD1 ASP A 19 50.922 4.374 10.988 1.00 0.00 O ATOM 306 OD2 ASP A 19 49.941 6.021 9.932 1.00 0.00 O ATOM 0 H ASP A 19 50.265 2.668 6.646 1.00 0.00 H new ATOM 0 HA ASP A 19 49.387 2.419 9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 19 51.474 3.550 8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 19 50.543 4.794 7.812 1.00 0.00 H new ATOM 311 N LEU A 20 47.689 4.445 7.362 1.00 0.00 N ATOM 312 CA LEU A 20 46.437 5.185 7.210 1.00 0.00 C ATOM 313 C LEU A 20 45.230 4.287 7.487 1.00 0.00 C ATOM 314 O LEU A 20 44.215 4.741 8.018 1.00 0.00 O ATOM 315 CB LEU A 20 46.342 5.802 5.808 1.00 0.00 C ATOM 316 CG LEU A 20 47.004 7.182 5.621 1.00 0.00 C ATOM 317 CD1 LEU A 20 48.437 7.190 6.120 1.00 0.00 C ATOM 318 CD2 LEU A 20 46.952 7.601 4.167 1.00 0.00 C ATOM 0 H LEU A 20 48.252 4.400 6.513 1.00 0.00 H new ATOM 0 HA LEU A 20 46.431 5.991 7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 20 46.792 5.108 5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 20 45.288 5.890 5.544 1.00 0.00 H new ATOM 0 HG LEU A 20 46.441 7.900 6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 20 48.869 8.180 5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 20 48.454 6.943 7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 20 49.019 6.453 5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 20 47.423 8.577 4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 20 47.482 6.868 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 20 45.913 7.660 3.842 1.00 0.00 H new ATOM 330 N HIS A 21 45.355 3.011 7.137 1.00 0.00 N ATOM 331 CA HIS A 21 44.296 2.031 7.393 1.00 0.00 C ATOM 332 C HIS A 21 44.119 1.820 8.877 1.00 0.00 C ATOM 333 O HIS A 21 43.002 1.729 9.376 1.00 0.00 O ATOM 334 CB HIS A 21 44.620 0.693 6.729 1.00 0.00 C ATOM 335 CG HIS A 21 44.108 0.579 5.331 1.00 0.00 C ATOM 336 ND1 HIS A 21 44.750 1.127 4.244 1.00 0.00 N ATOM 337 CD2 HIS A 21 42.996 -0.012 4.847 1.00 0.00 C ATOM 338 CE1 HIS A 21 44.055 0.881 3.154 1.00 0.00 C ATOM 339 NE2 HIS A 21 42.987 0.193 3.492 1.00 0.00 N ATOM 0 H HIS A 21 46.179 2.627 6.674 1.00 0.00 H new ATOM 0 HA HIS A 21 43.371 2.423 6.970 1.00 0.00 H new ATOM 0 HB2 HIS A 21 45.701 0.552 6.724 1.00 0.00 H new ATOM 0 HB3 HIS A 21 44.196 -0.113 7.329 1.00 0.00 H new ATOM 0 HD1 HIS A 21 45.629 1.644 4.278 1.00 0.00 H new ATOM 0 HD2 HIS A 21 42.253 -0.546 5.420 1.00 0.00 H new ATOM 0 HE1 HIS A 21 44.317 1.191 2.153 1.00 0.00 H new ATOM 347 N LYS A 22 45.231 1.760 9.573 1.00 0.00 N ATOM 348 CA LYS A 22 45.235 1.548 11.007 1.00 0.00 C ATOM 349 C LYS A 22 44.763 2.802 11.745 1.00 0.00 C ATOM 350 O LYS A 22 44.389 2.742 12.915 1.00 0.00 O ATOM 351 CB LYS A 22 46.638 1.150 11.452 1.00 0.00 C ATOM 352 CG LYS A 22 47.126 -0.145 10.814 1.00 0.00 C ATOM 353 CD LYS A 22 48.637 -0.268 10.891 1.00 0.00 C ATOM 354 CE LYS A 22 49.126 -1.592 10.316 1.00 0.00 C ATOM 355 NZ LYS A 22 48.639 -2.758 11.093 1.00 0.00 N ATOM 0 H LYS A 22 46.160 1.857 9.163 1.00 0.00 H new ATOM 0 HA LYS A 22 44.541 0.744 11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 22 47.332 1.953 11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 22 46.651 1.040 12.536 1.00 0.00 H new ATOM 0 HG2 LYS A 22 46.665 -0.996 11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 22 46.810 -0.180 9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 22 49.097 0.557 10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 22 48.956 -0.182 11.930 1.00 0.00 H new ATOM 0 HE2 LYS A 22 48.792 -1.682 9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 22 50.216 -1.598 10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 49.153 -3.612 10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 48.801 -2.592 12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 47.622 -2.889 10.922 1.00 0.00 H new ATOM 369 N SER A 23 44.779 3.928 11.047 1.00 0.00 N ATOM 370 CA SER A 23 44.333 5.192 11.613 1.00 0.00 C ATOM 371 C SER A 23 42.833 5.395 11.364 1.00 0.00 C ATOM 372 O SER A 23 42.142 6.049 12.148 1.00 0.00 O ATOM 373 CB SER A 23 45.135 6.342 11.008 1.00 0.00 C ATOM 374 OG SER A 23 46.531 6.111 11.146 1.00 0.00 O ATOM 0 H SER A 23 45.099 3.991 10.080 1.00 0.00 H new ATOM 0 HA SER A 23 44.499 5.173 12.690 1.00 0.00 H new ATOM 0 HB2 SER A 23 44.883 6.452 9.953 1.00 0.00 H new ATOM 0 HB3 SER A 23 44.866 7.277 11.499 1.00 0.00 H new ATOM 0 HG SER A 23 46.798 5.366 10.568 1.00 0.00 H new ATOM 380 N GLY A 24 42.340 4.839 10.262 1.00 0.00 N ATOM 381 CA GLY A 24 40.925 4.923 9.950 1.00 0.00 C ATOM 382 C GLY A 24 40.550 6.191 9.207 1.00 0.00 C ATOM 383 O GLY A 24 40.244 6.153 8.017 1.00 0.00 O ATOM 0 H GLY A 24 42.898 4.330 9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 24 40.641 4.060 9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 24 40.352 4.869 10.876 1.00 0.00 H new ATOM 387 N SER A 25 40.589 7.315 9.906 1.00 0.00 N ATOM 388 CA SER A 25 40.211 8.599 9.328 1.00 0.00 C ATOM 389 C SER A 25 41.122 8.973 8.156 1.00 0.00 C ATOM 390 O SER A 25 40.665 9.522 7.148 1.00 0.00 O ATOM 391 CB SER A 25 40.251 9.694 10.403 1.00 0.00 C ATOM 392 OG SER A 25 39.694 10.909 9.923 1.00 0.00 O ATOM 0 H SER A 25 40.881 7.365 10.882 1.00 0.00 H new ATOM 0 HA SER A 25 39.194 8.510 8.946 1.00 0.00 H new ATOM 0 HB2 SER A 25 39.701 9.362 11.284 1.00 0.00 H new ATOM 0 HB3 SER A 25 41.282 9.862 10.715 1.00 0.00 H new ATOM 0 HG SER A 25 39.731 11.588 10.629 1.00 0.00 H new ATOM 398 N SER A 26 42.400 8.650 8.281 1.00 0.00 N ATOM 399 CA SER A 26 43.379 8.975 7.259 1.00 0.00 C ATOM 400 C SER A 26 43.127 8.184 5.966 1.00 0.00 C ATOM 401 O SER A 26 43.607 8.557 4.894 1.00 0.00 O ATOM 402 CB SER A 26 44.775 8.706 7.794 1.00 0.00 C ATOM 403 OG SER A 26 44.896 9.186 9.123 1.00 0.00 O ATOM 0 H SER A 26 42.784 8.159 9.088 1.00 0.00 H new ATOM 0 HA SER A 26 43.286 10.032 7.011 1.00 0.00 H new ATOM 0 HB2 SER A 26 44.982 7.636 7.767 1.00 0.00 H new ATOM 0 HB3 SER A 26 45.515 9.190 7.157 1.00 0.00 H new ATOM 0 HG SER A 26 45.800 9.004 9.455 1.00 0.00 H new ATOM 409 N LEU A 27 42.361 7.101 6.075 1.00 0.00 N ATOM 410 CA LEU A 27 42.012 6.291 4.920 1.00 0.00 C ATOM 411 C LEU A 27 41.071 7.090 4.026 1.00 0.00 C ATOM 412 O LEU A 27 41.290 7.216 2.818 1.00 0.00 O ATOM 413 CB LEU A 27 41.336 4.979 5.392 1.00 0.00 C ATOM 414 CG LEU A 27 41.177 3.840 4.359 1.00 0.00 C ATOM 415 CD1 LEU A 27 40.740 2.569 5.062 1.00 0.00 C ATOM 416 CD2 LEU A 27 40.164 4.197 3.278 1.00 0.00 C ATOM 0 H LEU A 27 41.971 6.767 6.956 1.00 0.00 H new ATOM 0 HA LEU A 27 42.908 6.032 4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 27 41.909 4.591 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 27 40.345 5.230 5.770 1.00 0.00 H new ATOM 0 HG LEU A 27 42.144 3.689 3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 27 40.629 1.768 4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 27 41.490 2.285 5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 27 39.786 2.739 5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 27 40.080 3.372 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 27 39.193 4.382 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 27 40.494 5.093 2.752 1.00 0.00 H new ATOM 428 N GLY A 28 40.040 7.652 4.638 1.00 0.00 N ATOM 429 CA GLY A 28 39.070 8.429 3.903 1.00 0.00 C ATOM 430 C GLY A 28 39.654 9.707 3.351 1.00 0.00 C ATOM 431 O GLY A 28 39.238 10.175 2.292 1.00 0.00 O ATOM 0 H GLY A 28 39.859 7.581 5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 28 38.675 7.830 3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 28 38.231 8.669 4.556 1.00 0.00 H new ATOM 435 N ALA A 29 40.629 10.260 4.064 1.00 0.00 N ATOM 436 CA ALA A 29 41.285 11.493 3.658 1.00 0.00 C ATOM 437 C ALA A 29 41.862 11.378 2.250 1.00 0.00 C ATOM 438 O ALA A 29 41.532 12.173 1.367 1.00 0.00 O ATOM 439 CB ALA A 29 42.377 11.865 4.652 1.00 0.00 C ATOM 0 H ALA A 29 40.984 9.867 4.936 1.00 0.00 H new ATOM 0 HA ALA A 29 40.535 12.284 3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 29 42.859 12.790 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 29 41.938 12.005 5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 29 43.118 11.066 4.695 1.00 0.00 H new ATOM 445 N ILE A 30 42.701 10.378 2.030 1.00 0.00 N ATOM 446 CA ILE A 30 43.317 10.193 0.725 1.00 0.00 C ATOM 447 C ILE A 30 42.304 9.703 -0.306 1.00 0.00 C ATOM 448 O ILE A 30 42.390 10.054 -1.483 1.00 0.00 O ATOM 449 CB ILE A 30 44.521 9.228 0.769 1.00 0.00 C ATOM 450 CG1 ILE A 30 44.095 7.845 1.273 1.00 0.00 C ATOM 451 CG2 ILE A 30 45.623 9.809 1.643 1.00 0.00 C ATOM 452 CD1 ILE A 30 45.165 6.787 1.132 1.00 0.00 C ATOM 0 H ILE A 30 42.969 9.687 2.731 1.00 0.00 H new ATOM 0 HA ILE A 30 43.685 11.174 0.426 1.00 0.00 H new ATOM 0 HB ILE A 30 44.907 9.107 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 30 43.811 7.923 2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 30 43.208 7.527 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 30 46.468 9.121 1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 30 45.946 10.766 1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 30 45.245 9.957 2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 30 44.789 5.836 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 30 45.434 6.679 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 30 46.045 7.082 1.703 1.00 0.00 H new ATOM 464 N SER A 31 41.333 8.912 0.144 1.00 0.00 N ATOM 465 CA SER A 31 40.304 8.384 -0.744 1.00 0.00 C ATOM 466 C SER A 31 39.492 9.514 -1.364 1.00 0.00 C ATOM 467 O SER A 31 39.073 9.434 -2.519 1.00 0.00 O ATOM 468 CB SER A 31 39.387 7.422 0.011 1.00 0.00 C ATOM 469 OG SER A 31 40.126 6.338 0.549 1.00 0.00 O ATOM 0 H SER A 31 41.238 8.624 1.118 1.00 0.00 H new ATOM 0 HA SER A 31 40.797 7.836 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 31 38.877 7.954 0.814 1.00 0.00 H new ATOM 0 HB3 SER A 31 38.616 7.044 -0.661 1.00 0.00 H new ATOM 0 HG SER A 31 40.667 6.653 1.303 1.00 0.00 H new ATOM 475 N LYS A 32 39.283 10.563 -0.594 1.00 0.00 N ATOM 476 CA LYS A 32 38.554 11.721 -1.062 1.00 0.00 C ATOM 477 C LYS A 32 39.480 12.610 -1.898 1.00 0.00 C ATOM 478 O LYS A 32 39.083 13.138 -2.939 1.00 0.00 O ATOM 479 CB LYS A 32 37.995 12.502 0.154 1.00 0.00 C ATOM 480 CG LYS A 32 36.908 13.537 -0.167 1.00 0.00 C ATOM 481 CD LYS A 32 37.459 14.746 -0.904 1.00 0.00 C ATOM 482 CE LYS A 32 36.367 15.745 -1.228 1.00 0.00 C ATOM 483 NZ LYS A 32 36.854 16.817 -2.131 1.00 0.00 N ATOM 0 H LYS A 32 39.612 10.635 0.369 1.00 0.00 H new ATOM 0 HA LYS A 32 37.720 11.405 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 32 37.590 11.785 0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 32 38.822 13.011 0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 32 36.132 13.069 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 32 36.436 13.864 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 32 38.224 15.227 -0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 32 37.942 14.422 -1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 32 35.528 15.229 -1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 32 35.994 16.188 -0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 36.079 17.482 -2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 37.638 17.326 -1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 37.187 16.396 -3.022 1.00 0.00 H new ATOM 497 N ARG A 33 40.719 12.740 -1.448 1.00 0.00 N ATOM 498 CA ARG A 33 41.687 13.626 -2.088 1.00 0.00 C ATOM 499 C ARG A 33 42.122 13.127 -3.472 1.00 0.00 C ATOM 500 O ARG A 33 41.869 13.785 -4.481 1.00 0.00 O ATOM 501 CB ARG A 33 42.917 13.806 -1.200 1.00 0.00 C ATOM 502 CG ARG A 33 43.748 15.029 -1.551 1.00 0.00 C ATOM 503 CD ARG A 33 45.074 15.031 -0.814 1.00 0.00 C ATOM 504 NE ARG A 33 46.026 14.085 -1.396 1.00 0.00 N ATOM 505 CZ ARG A 33 47.026 13.508 -0.728 1.00 0.00 C ATOM 506 NH1 ARG A 33 47.180 13.727 0.573 1.00 0.00 N ATOM 507 NH2 ARG A 33 47.873 12.707 -1.366 1.00 0.00 N ATOM 0 H ARG A 33 41.082 12.240 -0.636 1.00 0.00 H new ATOM 0 HA ARG A 33 41.186 14.584 -2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 33 42.597 13.881 -0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 33 43.543 12.917 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 33 43.928 15.051 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 33 43.191 15.932 -1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 33 45.500 16.034 -0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 33 44.907 14.779 0.233 1.00 0.00 H new ATOM 0 HE ARG A 33 45.917 13.850 -2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 33 46.531 14.340 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 33 47.947 13.283 1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 33 47.758 12.534 -2.365 1.00 0.00 H new ATOM 0 HH22 ARG A 33 48.638 12.265 -0.857 1.00 0.00 H new ATOM 521 N LEU A 34 42.762 11.962 -3.516 1.00 0.00 N ATOM 522 CA LEU A 34 43.313 11.445 -4.773 1.00 0.00 C ATOM 523 C LEU A 34 42.373 10.466 -5.466 1.00 0.00 C ATOM 524 O LEU A 34 42.657 10.009 -6.576 1.00 0.00 O ATOM 525 CB LEU A 34 44.713 10.824 -4.547 1.00 0.00 C ATOM 526 CG LEU A 34 44.858 9.827 -3.382 1.00 0.00 C ATOM 527 CD1 LEU A 34 44.270 8.470 -3.733 1.00 0.00 C ATOM 528 CD2 LEU A 34 46.317 9.689 -2.979 1.00 0.00 C ATOM 0 H LEU A 34 42.913 11.360 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 34 43.421 12.295 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 34 45.011 10.317 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 34 45.422 11.637 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 34 44.296 10.221 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 34 44.390 7.792 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 34 43.210 8.581 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 34 44.788 8.063 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 34 46.401 8.981 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 34 46.897 9.328 -3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 34 46.701 10.659 -2.664 1.00 0.00 H new ATOM 540 N LYS A 35 41.256 10.156 -4.811 1.00 0.00 N ATOM 541 CA LYS A 35 40.249 9.238 -5.357 1.00 0.00 C ATOM 542 C LYS A 35 40.846 7.868 -5.670 1.00 0.00 C ATOM 543 O LYS A 35 41.142 7.553 -6.823 1.00 0.00 O ATOM 544 CB LYS A 35 39.583 9.823 -6.614 1.00 0.00 C ATOM 545 CG LYS A 35 38.795 11.101 -6.371 1.00 0.00 C ATOM 546 CD LYS A 35 37.564 10.848 -5.517 1.00 0.00 C ATOM 547 CE LYS A 35 36.765 12.122 -5.316 1.00 0.00 C ATOM 548 NZ LYS A 35 35.521 11.889 -4.541 1.00 0.00 N ATOM 0 H LYS A 35 41.021 10.530 -3.892 1.00 0.00 H new ATOM 0 HA LYS A 35 39.487 9.110 -4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 35 40.353 10.022 -7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 35 38.915 9.074 -7.038 1.00 0.00 H new ATOM 0 HG2 LYS A 35 39.434 11.835 -5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 35 38.493 11.530 -7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 35 36.937 10.094 -5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 35 37.866 10.448 -4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 35 37.381 12.857 -4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 35 36.511 12.547 -6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 35.008 12.787 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 34.919 11.208 -5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 35.762 11.509 -3.604 1.00 0.00 H new ATOM 562 N VAL A 36 41.046 7.074 -4.643 1.00 0.00 N ATOM 563 CA VAL A 36 41.578 5.738 -4.820 1.00 0.00 C ATOM 564 C VAL A 36 40.424 4.742 -4.984 1.00 0.00 C ATOM 565 O VAL A 36 39.403 4.856 -4.297 1.00 0.00 O ATOM 566 CB VAL A 36 42.492 5.323 -3.617 1.00 0.00 C ATOM 567 CG1 VAL A 36 41.693 5.159 -2.333 1.00 0.00 C ATOM 568 CG2 VAL A 36 43.279 4.055 -3.928 1.00 0.00 C ATOM 0 H VAL A 36 40.849 7.328 -3.675 1.00 0.00 H new ATOM 0 HA VAL A 36 42.194 5.729 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 36 43.204 6.134 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 36 42.362 4.871 -1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 36 41.207 6.102 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 36 40.937 4.386 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 36 43.903 3.795 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 36 42.587 3.239 -4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 36 43.911 4.224 -4.800 1.00 0.00 H new ATOM 578 N PRO A 37 40.538 3.795 -5.940 1.00 0.00 N ATOM 579 CA PRO A 37 39.518 2.760 -6.155 1.00 0.00 C ATOM 580 C PRO A 37 39.324 1.902 -4.903 1.00 0.00 C ATOM 581 O PRO A 37 40.066 0.943 -4.668 1.00 0.00 O ATOM 582 CB PRO A 37 40.093 1.914 -7.307 1.00 0.00 C ATOM 583 CG PRO A 37 41.544 2.254 -7.352 1.00 0.00 C ATOM 584 CD PRO A 37 41.649 3.675 -6.897 1.00 0.00 C ATOM 0 HA PRO A 37 38.539 3.182 -6.381 1.00 0.00 H new ATOM 0 HB2 PRO A 37 39.943 0.849 -7.127 1.00 0.00 H new ATOM 0 HB3 PRO A 37 39.603 2.150 -8.252 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.120 1.593 -6.704 1.00 0.00 H new ATOM 0 HG3 PRO A 37 41.941 2.137 -8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 37 42.611 3.879 -6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.545 4.374 -7.727 1.00 0.00 H new ATOM 592 N ARG A 38 38.325 2.252 -4.102 1.00 0.00 N ATOM 593 CA ARG A 38 38.089 1.584 -2.832 1.00 0.00 C ATOM 594 C ARG A 38 37.672 0.128 -3.019 1.00 0.00 C ATOM 595 O ARG A 38 37.912 -0.703 -2.144 1.00 0.00 O ATOM 596 CB ARG A 38 37.062 2.351 -1.996 1.00 0.00 C ATOM 597 CG ARG A 38 36.956 1.863 -0.561 1.00 0.00 C ATOM 598 CD ARG A 38 36.170 2.834 0.296 1.00 0.00 C ATOM 599 NE ARG A 38 36.155 2.432 1.701 1.00 0.00 N ATOM 600 CZ ARG A 38 36.316 3.272 2.725 1.00 0.00 C ATOM 601 NH1 ARG A 38 36.469 4.580 2.506 1.00 0.00 N ATOM 602 NH2 ARG A 38 36.315 2.805 3.969 1.00 0.00 N ATOM 0 H ARG A 38 37.663 2.999 -4.313 1.00 0.00 H new ATOM 0 HA ARG A 38 39.034 1.576 -2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 38 37.326 3.408 -1.992 1.00 0.00 H new ATOM 0 HB3 ARG A 38 36.085 2.268 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 38 36.474 0.886 -0.542 1.00 0.00 H new ATOM 0 HG3 ARG A 38 37.955 1.734 -0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 38 36.604 3.830 0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 38 35.147 2.899 -0.074 1.00 0.00 H new ATOM 0 HE ARG A 38 36.012 1.444 1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 38 36.463 4.942 1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 38 36.592 5.218 3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 38 36.191 1.807 4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 38 36.438 3.445 4.754 1.00 0.00 H new ATOM 616 N SER A 39 37.070 -0.190 -4.159 1.00 0.00 N ATOM 617 CA SER A 39 36.685 -1.564 -4.443 1.00 0.00 C ATOM 618 C SER A 39 37.937 -2.433 -4.570 1.00 0.00 C ATOM 619 O SER A 39 37.946 -3.602 -4.180 1.00 0.00 O ATOM 620 CB SER A 39 35.849 -1.632 -5.720 1.00 0.00 C ATOM 621 OG SER A 39 34.754 -0.729 -5.653 1.00 0.00 O ATOM 0 H SER A 39 36.840 0.479 -4.894 1.00 0.00 H new ATOM 0 HA SER A 39 36.076 -1.941 -3.621 1.00 0.00 H new ATOM 0 HB2 SER A 39 36.472 -1.392 -6.582 1.00 0.00 H new ATOM 0 HB3 SER A 39 35.481 -2.648 -5.866 1.00 0.00 H new ATOM 0 HG SER A 39 34.232 -0.786 -6.480 1.00 0.00 H new ATOM 627 N SER A 40 39.000 -1.835 -5.088 1.00 0.00 N ATOM 628 CA SER A 40 40.266 -2.518 -5.222 1.00 0.00 C ATOM 629 C SER A 40 40.958 -2.569 -3.862 1.00 0.00 C ATOM 630 O SER A 40 41.560 -3.576 -3.493 1.00 0.00 O ATOM 631 CB SER A 40 41.150 -1.801 -6.256 1.00 0.00 C ATOM 632 OG SER A 40 42.323 -2.545 -6.543 1.00 0.00 O ATOM 0 H SER A 40 39.004 -0.871 -5.423 1.00 0.00 H new ATOM 0 HA SER A 40 40.095 -3.536 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 40 40.584 -1.644 -7.174 1.00 0.00 H new ATOM 0 HB3 SER A 40 41.426 -0.816 -5.880 1.00 0.00 H new ATOM 0 HG SER A 40 42.862 -2.063 -7.204 1.00 0.00 H new ATOM 638 N VAL A 41 40.837 -1.482 -3.110 1.00 0.00 N ATOM 639 CA VAL A 41 41.432 -1.394 -1.786 1.00 0.00 C ATOM 640 C VAL A 41 40.851 -2.455 -0.851 1.00 0.00 C ATOM 641 O VAL A 41 41.589 -3.212 -0.231 1.00 0.00 O ATOM 642 CB VAL A 41 41.225 0.011 -1.162 1.00 0.00 C ATOM 643 CG1 VAL A 41 41.798 0.070 0.246 1.00 0.00 C ATOM 644 CG2 VAL A 41 41.861 1.081 -2.035 1.00 0.00 C ATOM 0 H VAL A 41 40.329 -0.646 -3.398 1.00 0.00 H new ATOM 0 HA VAL A 41 42.501 -1.569 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 41 40.153 0.199 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 41 41.640 1.065 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 41 41.299 -0.668 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 41 42.866 -0.144 0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 41 41.706 2.060 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 41 42.930 0.888 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 41 41.404 1.063 -3.024 1.00 0.00 H new ATOM 654 N GLN A 42 39.528 -2.530 -0.786 1.00 0.00 N ATOM 655 CA GLN A 42 38.860 -3.468 0.116 1.00 0.00 C ATOM 656 C GLN A 42 39.193 -4.925 -0.219 1.00 0.00 C ATOM 657 O GLN A 42 39.196 -5.781 0.659 1.00 0.00 O ATOM 658 CB GLN A 42 37.343 -3.253 0.109 1.00 0.00 C ATOM 659 CG GLN A 42 36.682 -3.521 -1.232 1.00 0.00 C ATOM 660 CD GLN A 42 35.189 -3.281 -1.205 1.00 0.00 C ATOM 661 OE1 GLN A 42 34.692 -2.441 -0.448 1.00 0.00 O ATOM 662 NE2 GLN A 42 34.465 -4.015 -2.020 1.00 0.00 N ATOM 0 H GLN A 42 38.895 -1.956 -1.344 1.00 0.00 H new ATOM 0 HA GLN A 42 39.237 -3.265 1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 42 36.892 -3.902 0.860 1.00 0.00 H new ATOM 0 HB3 GLN A 42 37.132 -2.226 0.407 1.00 0.00 H new ATOM 0 HG2 GLN A 42 37.135 -2.882 -1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 42 36.875 -4.552 -1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 42 34.917 -4.698 -2.629 1.00 0.00 H new ATOM 0 HE22 GLN A 42 33.452 -3.902 -2.044 1.00 0.00 H new ATOM 671 N THR A 43 39.485 -5.207 -1.476 1.00 0.00 N ATOM 672 CA THR A 43 39.789 -6.564 -1.861 1.00 0.00 C ATOM 673 C THR A 43 41.257 -6.915 -1.548 1.00 0.00 C ATOM 674 O THR A 43 41.563 -8.047 -1.157 1.00 0.00 O ATOM 675 CB THR A 43 39.440 -6.845 -3.359 1.00 0.00 C ATOM 676 OG1 THR A 43 39.271 -8.255 -3.568 1.00 0.00 O ATOM 677 CG2 THR A 43 40.517 -6.330 -4.302 1.00 0.00 C ATOM 0 H THR A 43 39.517 -4.524 -2.233 1.00 0.00 H new ATOM 0 HA THR A 43 39.154 -7.217 -1.263 1.00 0.00 H new ATOM 0 HB THR A 43 38.513 -6.316 -3.579 1.00 0.00 H new ATOM 0 HG1 THR A 43 39.051 -8.422 -4.508 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.233 -6.547 -5.332 1.00 0.00 H new ATOM 0 HG22 THR A 43 40.627 -5.253 -4.175 1.00 0.00 H new ATOM 0 HG23 THR A 43 41.464 -6.821 -4.076 1.00 0.00 H new ATOM 685 N ILE A 44 42.157 -5.936 -1.674 1.00 0.00 N ATOM 686 CA ILE A 44 43.566 -6.190 -1.404 1.00 0.00 C ATOM 687 C ILE A 44 43.856 -6.178 0.089 1.00 0.00 C ATOM 688 O ILE A 44 44.749 -6.882 0.554 1.00 0.00 O ATOM 689 CB ILE A 44 44.518 -5.195 -2.123 1.00 0.00 C ATOM 690 CG1 ILE A 44 44.268 -3.759 -1.654 1.00 0.00 C ATOM 691 CG2 ILE A 44 44.363 -5.306 -3.635 1.00 0.00 C ATOM 692 CD1 ILE A 44 45.306 -2.767 -2.133 1.00 0.00 C ATOM 0 H ILE A 44 41.938 -4.981 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 44 43.764 -7.183 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 44 45.543 -5.457 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 44 43.286 -3.439 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 44 44.240 -3.743 -0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 44 45.037 -4.602 -4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 44 44.606 -6.320 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 44 43.335 -5.075 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 44 45.059 -1.773 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 44 46.288 -3.060 -1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 44 45.319 -2.752 -3.223 1.00 0.00 H new ATOM 704 N VAL A 45 43.096 -5.386 0.850 1.00 0.00 N ATOM 705 CA VAL A 45 43.297 -5.326 2.290 1.00 0.00 C ATOM 706 C VAL A 45 42.925 -6.637 2.947 1.00 0.00 C ATOM 707 O VAL A 45 43.569 -7.051 3.893 1.00 0.00 O ATOM 708 CB VAL A 45 42.548 -4.155 2.970 1.00 0.00 C ATOM 709 CG1 VAL A 45 43.071 -2.829 2.462 1.00 0.00 C ATOM 710 CG2 VAL A 45 41.046 -4.258 2.767 1.00 0.00 C ATOM 0 H VAL A 45 42.349 -4.789 0.496 1.00 0.00 H new ATOM 0 HA VAL A 45 44.362 -5.141 2.432 1.00 0.00 H new ATOM 0 HB VAL A 45 42.736 -4.216 4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 45 42.534 -2.015 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 45 44.135 -2.748 2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 45 42.921 -2.768 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 45 40.554 -3.419 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 45 40.821 -4.237 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 45 40.684 -5.192 3.196 1.00 0.00 H new ATOM 720 N ARG A 46 41.895 -7.303 2.427 1.00 0.00 N ATOM 721 CA ARG A 46 41.498 -8.606 2.955 1.00 0.00 C ATOM 722 C ARG A 46 42.629 -9.602 2.753 1.00 0.00 C ATOM 723 O ARG A 46 42.921 -10.423 3.625 1.00 0.00 O ATOM 724 CB ARG A 46 40.223 -9.106 2.273 1.00 0.00 C ATOM 725 CG ARG A 46 39.013 -8.225 2.523 1.00 0.00 C ATOM 726 CD ARG A 46 37.787 -8.734 1.787 1.00 0.00 C ATOM 727 NE ARG A 46 37.337 -10.032 2.292 1.00 0.00 N ATOM 728 CZ ARG A 46 36.401 -10.784 1.707 1.00 0.00 C ATOM 729 NH1 ARG A 46 35.832 -10.386 0.572 1.00 0.00 N ATOM 730 NH2 ARG A 46 36.042 -11.938 2.250 1.00 0.00 N ATOM 0 H ARG A 46 41.327 -6.966 1.650 1.00 0.00 H new ATOM 0 HA ARG A 46 41.291 -8.504 4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 46 40.398 -9.172 1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 46 40.006 -10.115 2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 46 38.806 -8.186 3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 46 39.232 -7.206 2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 46 36.980 -8.008 1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 46 38.013 -8.818 0.724 1.00 0.00 H new ATOM 0 HE ARG A 46 37.766 -10.386 3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 46 36.110 -9.503 0.144 1.00 0.00 H new ATOM 0 HH12 ARG A 46 35.118 -10.964 0.129 1.00 0.00 H new ATOM 0 HH21 ARG A 46 36.481 -12.253 3.115 1.00 0.00 H new ATOM 0 HH22 ARG A 46 35.327 -12.512 1.803 1.00 0.00 H new ATOM 744 N LYS A 47 43.284 -9.493 1.605 1.00 0.00 N ATOM 745 CA LYS A 47 44.412 -10.343 1.275 1.00 0.00 C ATOM 746 C LYS A 47 45.591 -10.001 2.185 1.00 0.00 C ATOM 747 O LYS A 47 46.300 -10.883 2.680 1.00 0.00 O ATOM 748 CB LYS A 47 44.803 -10.128 -0.192 1.00 0.00 C ATOM 749 CG LYS A 47 45.730 -11.190 -0.757 1.00 0.00 C ATOM 750 CD LYS A 47 45.010 -12.518 -0.912 1.00 0.00 C ATOM 751 CE LYS A 47 45.905 -13.568 -1.544 1.00 0.00 C ATOM 752 NZ LYS A 47 47.075 -13.889 -0.691 1.00 0.00 N ATOM 0 H LYS A 47 43.047 -8.815 0.881 1.00 0.00 H new ATOM 0 HA LYS A 47 44.138 -11.388 1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 47 43.896 -10.096 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 47 45.284 -9.155 -0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 47 46.113 -10.865 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 47 46.590 -11.314 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 47 44.673 -12.866 0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 47 44.120 -12.381 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 47 45.328 -14.475 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 47 46.251 -13.213 -2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 47.565 -14.723 -1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 47.728 -13.079 -0.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 46.754 -14.090 0.278 1.00 0.00 H new ATOM 766 N TYR A 48 45.772 -8.707 2.418 1.00 0.00 N ATOM 767 CA TYR A 48 46.838 -8.203 3.254 1.00 0.00 C ATOM 768 C TYR A 48 46.620 -8.578 4.725 1.00 0.00 C ATOM 769 O TYR A 48 47.577 -8.818 5.449 1.00 0.00 O ATOM 770 CB TYR A 48 46.972 -6.678 3.056 1.00 0.00 C ATOM 771 CG TYR A 48 47.267 -5.890 4.311 1.00 0.00 C ATOM 772 CD1 TYR A 48 48.553 -5.813 4.830 1.00 0.00 C ATOM 773 CD2 TYR A 48 46.250 -5.223 4.974 1.00 0.00 C ATOM 774 CE1 TYR A 48 48.812 -5.093 5.978 1.00 0.00 C ATOM 775 CE2 TYR A 48 46.498 -4.503 6.117 1.00 0.00 C ATOM 776 CZ TYR A 48 47.780 -4.440 6.619 1.00 0.00 C ATOM 777 OH TYR A 48 48.030 -3.722 7.763 1.00 0.00 O ATOM 0 H TYR A 48 45.175 -7.978 2.026 1.00 0.00 H new ATOM 0 HA TYR A 48 47.776 -8.670 2.955 1.00 0.00 H new ATOM 0 HB2 TYR A 48 47.766 -6.490 2.333 1.00 0.00 H new ATOM 0 HB3 TYR A 48 46.047 -6.302 2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 48 49.361 -6.324 4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 48 45.244 -5.270 4.585 1.00 0.00 H new ATOM 0 HE1 TYR A 48 49.816 -5.041 6.372 1.00 0.00 H new ATOM 0 HE2 TYR A 48 45.692 -3.989 6.620 1.00 0.00 H new ATOM 0 HH TYR A 48 47.196 -3.323 8.088 1.00 0.00 H new ATOM 787 N LYS A 49 45.360 -8.639 5.157 1.00 0.00 N ATOM 788 CA LYS A 49 45.044 -9.026 6.535 1.00 0.00 C ATOM 789 C LYS A 49 45.572 -10.423 6.825 1.00 0.00 C ATOM 790 O LYS A 49 46.032 -10.710 7.932 1.00 0.00 O ATOM 791 CB LYS A 49 43.533 -8.973 6.799 1.00 0.00 C ATOM 792 CG LYS A 49 42.930 -7.576 6.731 1.00 0.00 C ATOM 793 CD LYS A 49 43.529 -6.648 7.778 1.00 0.00 C ATOM 794 CE LYS A 49 42.915 -5.254 7.708 1.00 0.00 C ATOM 795 NZ LYS A 49 41.450 -5.275 7.960 1.00 0.00 N ATOM 0 H LYS A 49 44.547 -8.428 4.579 1.00 0.00 H new ATOM 0 HA LYS A 49 45.530 -8.312 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.027 -9.609 6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 49 43.334 -9.394 7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 49 43.095 -7.157 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 49 41.851 -7.639 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 49 43.369 -7.067 8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 49 44.607 -6.580 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 49 43.399 -4.608 8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 49 43.107 -4.823 6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 41.109 -4.303 8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 40.963 -5.695 7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 41.252 -5.842 8.809 1.00 0.00 H new ATOM 809 N HIS A 50 45.515 -11.282 5.819 1.00 0.00 N ATOM 810 CA HIS A 50 46.020 -12.638 5.945 1.00 0.00 C ATOM 811 C HIS A 50 47.539 -12.643 5.934 1.00 0.00 C ATOM 812 O HIS A 50 48.176 -13.272 6.784 1.00 0.00 O ATOM 813 CB HIS A 50 45.491 -13.527 4.815 1.00 0.00 C ATOM 814 CG HIS A 50 44.068 -13.960 4.990 1.00 0.00 C ATOM 815 ND1 HIS A 50 42.915 -13.254 4.967 1.00 0.00 N flip ATOM 816 CD2 HIS A 50 43.705 -15.271 5.207 1.00 0.00 C flip ATOM 817 CE1 HIS A 50 41.888 -14.147 5.167 1.00 0.00 C flip ATOM 818 NE2 HIS A 50 42.396 -15.356 5.308 1.00 0.00 N flip ATOM 0 H HIS A 50 45.122 -11.062 4.904 1.00 0.00 H new ATOM 0 HA HIS A 50 45.669 -13.038 6.896 1.00 0.00 H new ATOM 0 HB2 HIS A 50 45.582 -12.989 3.872 1.00 0.00 H new ATOM 0 HB3 HIS A 50 46.122 -14.413 4.739 1.00 0.00 H new ATOM 0 HD1 HIS A 50 42.824 -12.248 4.827 1.00 0.00 H new ATOM 0 HD2 HIS A 50 44.390 -16.102 5.283 1.00 0.00 H new ATOM 0 HE1 HIS A 50 40.838 -13.899 5.203 1.00 0.00 H new ATOM 826 N HIS A 51 48.120 -11.918 4.982 1.00 0.00 N ATOM 827 CA HIS A 51 49.571 -11.862 4.839 1.00 0.00 C ATOM 828 C HIS A 51 50.221 -11.131 6.013 1.00 0.00 C ATOM 829 O HIS A 51 51.376 -11.362 6.318 1.00 0.00 O ATOM 830 CB HIS A 51 49.967 -11.207 3.506 1.00 0.00 C ATOM 831 CG HIS A 51 51.443 -11.277 3.210 1.00 0.00 C ATOM 832 ND1 HIS A 51 52.051 -12.386 2.654 1.00 0.00 N ATOM 833 CD2 HIS A 51 52.433 -10.368 3.402 1.00 0.00 C ATOM 834 CE1 HIS A 51 53.343 -12.161 2.518 1.00 0.00 C ATOM 835 NE2 HIS A 51 53.604 -10.944 2.964 1.00 0.00 N ATOM 0 H HIS A 51 47.608 -11.361 4.298 1.00 0.00 H new ATOM 0 HA HIS A 51 49.940 -12.888 4.840 1.00 0.00 H new ATOM 0 HB2 HIS A 51 49.420 -11.691 2.697 1.00 0.00 H new ATOM 0 HB3 HIS A 51 49.657 -10.162 3.519 1.00 0.00 H new ATOM 0 HD2 HIS A 51 52.322 -9.378 3.820 1.00 0.00 H new ATOM 0 HE1 HIS A 51 54.065 -12.853 2.111 1.00 0.00 H new ATOM 0 HE2 HIS A 51 54.524 -10.503 2.981 1.00 0.00 H new ATOM 843 N GLY A 52 49.474 -10.253 6.658 1.00 0.00 N ATOM 844 CA GLY A 52 49.997 -9.541 7.812 1.00 0.00 C ATOM 845 C GLY A 52 50.211 -10.465 8.993 1.00 0.00 C ATOM 846 O GLY A 52 51.046 -10.207 9.858 1.00 0.00 O ATOM 0 H GLY A 52 48.514 -10.017 6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 52 50.941 -9.064 7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 52 49.306 -8.746 8.093 1.00 0.00 H new ATOM 850 N THR A 53 49.456 -11.547 9.022 1.00 0.00 N ATOM 851 CA THR A 53 49.565 -12.526 10.078 1.00 0.00 C ATOM 852 C THR A 53 50.590 -13.604 9.705 1.00 0.00 C ATOM 853 O THR A 53 51.260 -14.172 10.568 1.00 0.00 O ATOM 854 CB THR A 53 48.195 -13.189 10.336 1.00 0.00 C ATOM 855 OG1 THR A 53 47.189 -12.171 10.457 1.00 0.00 O ATOM 856 CG2 THR A 53 48.225 -14.021 11.611 1.00 0.00 C ATOM 0 H THR A 53 48.754 -11.768 8.316 1.00 0.00 H new ATOM 0 HA THR A 53 49.895 -12.016 10.983 1.00 0.00 H new ATOM 0 HB THR A 53 47.965 -13.847 9.498 1.00 0.00 H new ATOM 0 HG1 THR A 53 46.968 -11.822 9.568 1.00 0.00 H new ATOM 0 HG21 THR A 53 47.248 -14.478 11.771 1.00 0.00 H new ATOM 0 HG22 THR A 53 48.980 -14.802 11.518 1.00 0.00 H new ATOM 0 HG23 THR A 53 48.469 -13.380 12.458 1.00 0.00 H new ATOM 864 N THR A 54 50.725 -13.853 8.414 1.00 0.00 N ATOM 865 CA THR A 54 51.622 -14.886 7.919 1.00 0.00 C ATOM 866 C THR A 54 52.799 -14.289 7.138 1.00 0.00 C ATOM 867 O THR A 54 53.330 -14.916 6.216 1.00 0.00 O ATOM 868 CB THR A 54 50.854 -15.869 7.014 1.00 0.00 C ATOM 869 OG1 THR A 54 50.032 -15.136 6.091 1.00 0.00 O ATOM 870 CG2 THR A 54 49.979 -16.797 7.844 1.00 0.00 C ATOM 0 H THR A 54 50.221 -13.350 7.684 1.00 0.00 H new ATOM 0 HA THR A 54 52.020 -15.415 8.785 1.00 0.00 H new ATOM 0 HB THR A 54 51.579 -16.471 6.466 1.00 0.00 H new ATOM 0 HG1 THR A 54 49.349 -14.637 6.586 1.00 0.00 H new ATOM 0 HG21 THR A 54 49.447 -17.482 7.184 1.00 0.00 H new ATOM 0 HG22 THR A 54 50.603 -17.368 8.532 1.00 0.00 H new ATOM 0 HG23 THR A 54 49.259 -16.207 8.412 1.00 0.00 H new ATOM 878 N GLN A 55 53.217 -13.087 7.517 1.00 0.00 N ATOM 879 CA GLN A 55 54.323 -12.421 6.836 1.00 0.00 C ATOM 880 C GLN A 55 55.648 -13.097 7.170 1.00 0.00 C ATOM 881 O GLN A 55 55.761 -13.811 8.171 1.00 0.00 O ATOM 882 CB GLN A 55 54.378 -10.926 7.195 1.00 0.00 C ATOM 883 CG GLN A 55 54.662 -10.641 8.661 1.00 0.00 C ATOM 884 CD GLN A 55 54.660 -9.158 8.979 1.00 0.00 C ATOM 885 OE1 GLN A 55 53.627 -8.588 9.324 1.00 0.00 O ATOM 886 NE2 GLN A 55 55.809 -8.521 8.860 1.00 0.00 N ATOM 0 H GLN A 55 52.811 -12.556 8.287 1.00 0.00 H new ATOM 0 HA GLN A 55 54.151 -12.505 5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 55 55.147 -10.448 6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 55 53.428 -10.465 6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 55 53.914 -11.141 9.276 1.00 0.00 H new ATOM 0 HG3 GLN A 55 55.630 -11.065 8.929 1.00 0.00 H new ATOM 0 HE21 GLN A 55 56.646 -9.028 8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 55 55.861 -7.522 9.057 1.00 0.00 H new ATOM 895 N HIS A 56 56.642 -12.869 6.338 1.00 0.00 N ATOM 896 CA HIS A 56 57.957 -13.465 6.537 1.00 0.00 C ATOM 897 C HIS A 56 58.882 -12.471 7.221 1.00 0.00 C ATOM 898 O HIS A 56 60.029 -12.283 6.805 1.00 0.00 O ATOM 899 CB HIS A 56 58.551 -13.926 5.196 1.00 0.00 C ATOM 900 CG HIS A 56 57.744 -14.990 4.506 1.00 0.00 C ATOM 901 ND1 HIS A 56 57.934 -16.340 4.714 1.00 0.00 N ATOM 902 CD2 HIS A 56 56.732 -14.893 3.610 1.00 0.00 C ATOM 903 CE1 HIS A 56 57.080 -17.024 3.980 1.00 0.00 C ATOM 904 NE2 HIS A 56 56.338 -16.171 3.302 1.00 0.00 N ATOM 0 H HIS A 56 56.569 -12.274 5.513 1.00 0.00 H new ATOM 0 HA HIS A 56 57.851 -14.340 7.178 1.00 0.00 H new ATOM 0 HB2 HIS A 56 58.640 -13.065 4.534 1.00 0.00 H new ATOM 0 HB3 HIS A 56 59.560 -14.302 5.367 1.00 0.00 H new ATOM 0 HD2 HIS A 56 56.314 -13.980 3.212 1.00 0.00 H new ATOM 0 HE1 HIS A 56 57.001 -18.100 3.941 1.00 0.00 H new ATOM 0 HE2 HIS A 56 55.592 -16.421 2.653 1.00 0.00 H new ATOM 912 N HIS A 57 58.367 -11.852 8.288 1.00 0.00 N ATOM 913 CA HIS A 57 59.088 -10.838 9.063 1.00 0.00 C ATOM 914 C HIS A 57 59.382 -9.608 8.227 1.00 0.00 C ATOM 915 O HIS A 57 58.549 -8.692 8.231 1.00 0.00 O ATOM 916 CB HIS A 57 60.373 -11.395 9.688 1.00 0.00 C ATOM 917 CG HIS A 57 60.126 -12.398 10.770 1.00 0.00 C ATOM 918 ND1 HIS A 57 60.650 -13.667 10.753 1.00 0.00 N ATOM 919 CD2 HIS A 57 59.403 -12.309 11.913 1.00 0.00 C ATOM 920 CE1 HIS A 57 60.264 -14.321 11.827 1.00 0.00 C ATOM 921 NE2 HIS A 57 59.507 -13.521 12.553 1.00 0.00 N ATOM 0 H HIS A 57 57.429 -12.043 8.641 1.00 0.00 H new ATOM 0 HA HIS A 57 58.431 -10.542 9.881 1.00 0.00 H new ATOM 0 HB2 HIS A 57 60.977 -11.857 8.907 1.00 0.00 H new ATOM 0 HB3 HIS A 57 60.957 -10.569 10.096 1.00 0.00 H new ATOM 0 HD2 HIS A 57 58.849 -11.448 12.256 1.00 0.00 H new ATOM 0 HE1 HIS A 57 60.523 -15.340 12.073 1.00 0.00 H new ATOM 0 HE2 HIS A 57 59.071 -13.762 13.443 1.00 0.00 H new TER 929 HIS A 57