USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 657 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 72 CYS SG : rot 88:sc= -5.45! USER MOD Set 1.2: A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0878 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.0279 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 146:sc= -0.018 (180deg=-0.311) USER MOD Single : A 70 LYS NZ :NH3+ 161:sc=-0.00984 (180deg=-0.485) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 70:sc= -1.01! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0757 USER MOD Single : A 100 LYS NZ :NH3+ 159:sc= -0.0387 (180deg=-0.462) USER MOD Single : A 102 MET CE :methyl 138:sc= -0.0676 (180deg=-0.636) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 29 -14.415 18.390 7.017 1.00 0.00 N ATOM 2 CA LYS A 29 -14.522 17.632 5.738 1.00 0.00 C ATOM 3 C LYS A 29 -13.842 16.270 5.895 1.00 0.00 C ATOM 4 O LYS A 29 -14.486 15.267 6.126 1.00 0.00 O ATOM 5 CB LYS A 29 -13.836 18.419 4.619 1.00 0.00 C ATOM 6 CG LYS A 29 -14.618 19.704 4.345 1.00 0.00 C ATOM 7 CD LYS A 29 -13.946 20.479 3.210 1.00 0.00 C ATOM 8 CE LYS A 29 -14.776 21.721 2.877 1.00 0.00 C ATOM 9 NZ LYS A 29 -14.181 22.415 1.700 1.00 0.00 N ATOM 0 HA LYS A 29 -15.573 17.487 5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.811 18.658 4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.782 17.813 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.647 19.466 4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.657 20.317 5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.937 20.771 3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.852 19.845 2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.806 21.436 2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.803 22.394 3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.745 23.259 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.205 22.699 1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.177 21.772 0.883 1.00 0.00 H new ATOM 22 N GLY A 30 -12.543 16.227 5.770 1.00 0.00 N ATOM 23 CA GLY A 30 -11.824 14.930 5.912 1.00 0.00 C ATOM 24 C GLY A 30 -10.536 14.967 5.087 1.00 0.00 C ATOM 25 O GLY A 30 -10.174 15.983 4.529 1.00 0.00 O ATOM 0 H GLY A 30 -11.950 17.034 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.591 14.744 6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.460 14.111 5.576 1.00 0.00 H new ATOM 29 N ASP A 31 -9.840 13.865 5.007 1.00 0.00 N ATOM 30 CA ASP A 31 -8.576 13.839 4.218 1.00 0.00 C ATOM 31 C ASP A 31 -7.994 12.424 4.235 1.00 0.00 C ATOM 32 O ASP A 31 -8.067 11.724 5.225 1.00 0.00 O ATOM 33 CB ASP A 31 -7.570 14.812 4.836 1.00 0.00 C ATOM 34 CG ASP A 31 -7.398 16.022 3.916 1.00 0.00 C ATOM 35 OD1 ASP A 31 -7.334 15.823 2.714 1.00 0.00 O ATOM 36 OD2 ASP A 31 -7.334 17.127 4.429 1.00 0.00 O ATOM 0 H ASP A 31 -10.092 12.983 5.453 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.783 14.135 3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.916 15.135 5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.611 14.315 4.984 1.00 0.00 H new ATOM 41 N GLY A 32 -7.417 11.997 3.145 1.00 0.00 N ATOM 42 CA GLY A 32 -6.830 10.628 3.100 1.00 0.00 C ATOM 43 C GLY A 32 -5.375 10.710 2.635 1.00 0.00 C ATOM 44 O GLY A 32 -5.086 11.158 1.543 1.00 0.00 O ATOM 0 H GLY A 32 -7.327 12.537 2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.882 10.166 4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.404 9.997 2.422 1.00 0.00 H new ATOM 48 N VAL A 33 -4.456 10.281 3.456 1.00 0.00 N ATOM 49 CA VAL A 33 -3.020 10.335 3.060 1.00 0.00 C ATOM 50 C VAL A 33 -2.400 8.943 3.201 1.00 0.00 C ATOM 51 O VAL A 33 -1.891 8.583 4.244 1.00 0.00 O ATOM 52 CB VAL A 33 -2.278 11.318 3.967 1.00 0.00 C ATOM 53 CG1 VAL A 33 -2.632 12.751 3.563 1.00 0.00 C ATOM 54 CG2 VAL A 33 -2.693 11.082 5.421 1.00 0.00 C ATOM 0 H VAL A 33 -4.637 9.896 4.383 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.940 10.665 2.024 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.203 11.166 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.104 13.452 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.338 12.920 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.707 12.903 3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.165 11.782 6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.768 11.234 5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.443 10.061 5.710 1.00 0.00 H new ATOM 64 N VAL A 34 -2.437 8.158 2.160 1.00 0.00 N ATOM 65 CA VAL A 34 -1.849 6.791 2.235 1.00 0.00 C ATOM 66 C VAL A 34 -0.438 6.810 1.644 1.00 0.00 C ATOM 67 O VAL A 34 -0.061 7.726 0.941 1.00 0.00 O ATOM 68 CB VAL A 34 -2.721 5.816 1.443 1.00 0.00 C ATOM 69 CG1 VAL A 34 -2.171 4.397 1.596 1.00 0.00 C ATOM 70 CG2 VAL A 34 -4.155 5.866 1.976 1.00 0.00 C ATOM 0 H VAL A 34 -2.849 8.404 1.260 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.803 6.472 3.276 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.713 6.097 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.793 3.703 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.150 4.360 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.178 4.116 2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.777 5.171 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.162 5.586 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.549 6.877 1.867 1.00 0.00 H new ATOM 80 N ARG A 35 0.346 5.804 1.924 1.00 0.00 N ATOM 81 CA ARG A 35 1.731 5.766 1.377 1.00 0.00 C ATOM 82 C ARG A 35 2.141 4.313 1.128 1.00 0.00 C ATOM 83 O ARG A 35 2.147 3.497 2.028 1.00 0.00 O ATOM 84 CB ARG A 35 2.694 6.402 2.383 1.00 0.00 C ATOM 85 CG ARG A 35 2.040 7.638 3.004 1.00 0.00 C ATOM 86 CD ARG A 35 3.025 8.310 3.962 1.00 0.00 C ATOM 87 NE ARG A 35 2.366 9.478 4.613 1.00 0.00 N ATOM 88 CZ ARG A 35 3.056 10.264 5.393 1.00 0.00 C ATOM 89 NH1 ARG A 35 4.118 9.812 6.002 1.00 0.00 N ATOM 90 NH2 ARG A 35 2.683 11.503 5.566 1.00 0.00 N ATOM 0 H ARG A 35 0.087 5.008 2.507 1.00 0.00 H new ATOM 0 HA ARG A 35 1.767 6.320 0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.951 5.683 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.624 6.680 1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.743 8.337 2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.134 7.353 3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.357 7.598 4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.912 8.635 3.419 1.00 0.00 H new ATOM 0 HE ARG A 35 1.376 9.663 4.449 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.409 8.844 5.868 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.657 10.427 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.852 11.856 5.091 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.222 12.118 6.176 1.00 0.00 H new ATOM 104 N ILE A 36 2.484 3.983 -0.087 1.00 0.00 N ATOM 105 CA ILE A 36 2.893 2.584 -0.392 1.00 0.00 C ATOM 106 C ILE A 36 4.356 2.566 -0.841 1.00 0.00 C ATOM 107 O ILE A 36 4.662 2.767 -1.999 1.00 0.00 O ATOM 108 CB ILE A 36 2.010 2.026 -1.509 1.00 0.00 C ATOM 109 CG1 ILE A 36 0.569 2.498 -1.302 1.00 0.00 C ATOM 110 CG2 ILE A 36 2.054 0.497 -1.481 1.00 0.00 C ATOM 111 CD1 ILE A 36 0.166 3.429 -2.447 1.00 0.00 C ATOM 0 H ILE A 36 2.498 4.622 -0.882 1.00 0.00 H new ATOM 0 HA ILE A 36 2.780 1.970 0.501 1.00 0.00 H new ATOM 0 HB ILE A 36 2.376 2.381 -2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.103 1.641 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.479 3.018 -0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.424 0.100 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.080 0.160 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.689 0.140 -0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.860 3.765 -2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.831 4.292 -2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.240 2.894 -3.394 1.00 0.00 H new ATOM 123 N GLN A 37 5.262 2.327 0.067 1.00 0.00 N ATOM 124 CA GLN A 37 6.704 2.297 -0.309 1.00 0.00 C ATOM 125 C GLN A 37 7.204 0.851 -0.298 1.00 0.00 C ATOM 126 O GLN A 37 6.447 -0.075 -0.083 1.00 0.00 O ATOM 127 CB GLN A 37 7.510 3.123 0.695 1.00 0.00 C ATOM 128 CG GLN A 37 7.318 2.550 2.100 1.00 0.00 C ATOM 129 CD GLN A 37 8.437 3.052 3.015 1.00 0.00 C ATOM 130 OE1 GLN A 37 8.234 3.954 3.804 1.00 0.00 O ATOM 131 NE2 GLN A 37 9.619 2.503 2.942 1.00 0.00 N ATOM 0 H GLN A 37 5.066 2.151 1.053 1.00 0.00 H new ATOM 0 HA GLN A 37 6.828 2.717 -1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.566 3.110 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.187 4.164 0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.348 2.850 2.497 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.325 1.461 2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.790 1.746 2.280 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.372 2.831 3.547 1.00 0.00 H new ATOM 140 N ARG A 38 8.472 0.650 -0.528 1.00 0.00 N ATOM 141 CA ARG A 38 9.018 -0.736 -0.531 1.00 0.00 C ATOM 142 C ARG A 38 10.133 -0.847 0.511 1.00 0.00 C ATOM 143 O ARG A 38 10.914 0.065 0.699 1.00 0.00 O ATOM 144 CB ARG A 38 9.581 -1.060 -1.916 1.00 0.00 C ATOM 145 CG ARG A 38 8.540 -1.842 -2.720 1.00 0.00 C ATOM 146 CD ARG A 38 9.183 -2.384 -3.998 1.00 0.00 C ATOM 147 NE ARG A 38 10.183 -3.431 -3.645 1.00 0.00 N ATOM 148 CZ ARG A 38 11.271 -3.560 -4.355 1.00 0.00 C ATOM 149 NH1 ARG A 38 12.281 -2.759 -4.153 1.00 0.00 N ATOM 150 NH2 ARG A 38 11.348 -4.491 -5.266 1.00 0.00 N ATOM 0 H ARG A 38 9.154 1.386 -0.714 1.00 0.00 H new ATOM 0 HA ARG A 38 8.222 -1.440 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.843 -0.140 -2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.496 -1.644 -1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.146 -2.664 -2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.698 -1.196 -2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.419 -2.802 -4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.666 -1.575 -4.546 1.00 0.00 H new ATOM 0 HE ARG A 38 10.017 -4.047 -2.849 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.221 -2.032 -3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.131 -2.860 -4.708 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.558 -5.117 -5.423 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.198 -4.592 -5.821 1.00 0.00 H new ATOM 164 N GLN A 39 10.215 -1.958 1.191 1.00 0.00 N ATOM 165 CA GLN A 39 11.279 -2.126 2.219 1.00 0.00 C ATOM 166 C GLN A 39 12.360 -3.068 1.685 1.00 0.00 C ATOM 167 O GLN A 39 12.191 -4.271 1.659 1.00 0.00 O ATOM 168 CB GLN A 39 10.670 -2.719 3.492 1.00 0.00 C ATOM 169 CG GLN A 39 11.729 -2.757 4.595 1.00 0.00 C ATOM 170 CD GLN A 39 11.066 -3.110 5.928 1.00 0.00 C ATOM 171 OE1 GLN A 39 10.121 -3.872 5.966 1.00 0.00 O ATOM 172 NE2 GLN A 39 11.525 -2.584 7.031 1.00 0.00 N ATOM 0 H GLN A 39 9.590 -2.757 1.078 1.00 0.00 H new ATOM 0 HA GLN A 39 11.721 -1.156 2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.817 -2.121 3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.298 -3.725 3.296 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.496 -3.493 4.352 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.227 -1.790 4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.319 -1.944 6.999 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.090 -2.813 7.925 1.00 0.00 H new ATOM 181 N THR A 40 13.470 -2.531 1.258 1.00 0.00 N ATOM 182 CA THR A 40 14.560 -3.397 0.725 1.00 0.00 C ATOM 183 C THR A 40 15.863 -3.089 1.465 1.00 0.00 C ATOM 184 O THR A 40 16.177 -1.949 1.743 1.00 0.00 O ATOM 185 CB THR A 40 14.745 -3.123 -0.769 1.00 0.00 C ATOM 186 OG1 THR A 40 15.896 -3.813 -1.236 1.00 0.00 O ATOM 187 CG2 THR A 40 14.920 -1.621 -0.997 1.00 0.00 C ATOM 0 H THR A 40 13.669 -1.531 1.255 1.00 0.00 H new ATOM 0 HA THR A 40 14.297 -4.444 0.872 1.00 0.00 H new ATOM 0 HB THR A 40 13.867 -3.470 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 40 16.015 -3.640 -2.193 1.00 0.00 H new ATOM 0 HG21 THR A 40 15.052 -1.427 -2.062 1.00 0.00 H new ATOM 0 HG22 THR A 40 14.036 -1.093 -0.639 1.00 0.00 H new ATOM 0 HG23 THR A 40 15.797 -1.270 -0.453 1.00 0.00 H new ATOM 195 N SER A 41 16.626 -4.098 1.787 1.00 0.00 N ATOM 196 CA SER A 41 17.908 -3.863 2.508 1.00 0.00 C ATOM 197 C SER A 41 18.704 -5.168 2.571 1.00 0.00 C ATOM 198 O SER A 41 18.149 -6.238 2.723 1.00 0.00 O ATOM 199 CB SER A 41 17.613 -3.377 3.927 1.00 0.00 C ATOM 200 OG SER A 41 16.304 -3.785 4.300 1.00 0.00 O ATOM 0 H SER A 41 16.416 -5.075 1.582 1.00 0.00 H new ATOM 0 HA SER A 41 18.489 -3.108 1.979 1.00 0.00 H new ATOM 0 HB2 SER A 41 18.346 -3.785 4.623 1.00 0.00 H new ATOM 0 HB3 SER A 41 17.696 -2.291 3.977 1.00 0.00 H new ATOM 0 HG SER A 41 16.112 -3.476 5.210 1.00 0.00 H new ATOM 206 N GLY A 42 20.002 -5.089 2.454 1.00 0.00 N ATOM 207 CA GLY A 42 20.831 -6.327 2.507 1.00 0.00 C ATOM 208 C GLY A 42 20.590 -7.158 1.247 1.00 0.00 C ATOM 209 O GLY A 42 19.887 -6.746 0.345 1.00 0.00 O ATOM 0 H GLY A 42 20.523 -4.222 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 42 21.887 -6.067 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 42 20.578 -6.909 3.393 1.00 0.00 H new ATOM 213 N ARG A 43 21.167 -8.327 1.176 1.00 0.00 N ATOM 214 CA ARG A 43 20.969 -9.183 -0.027 1.00 0.00 C ATOM 215 C ARG A 43 20.001 -10.319 0.308 1.00 0.00 C ATOM 216 O ARG A 43 19.539 -10.444 1.425 1.00 0.00 O ATOM 217 CB ARG A 43 22.314 -9.771 -0.461 1.00 0.00 C ATOM 218 CG ARG A 43 22.831 -10.717 0.624 1.00 0.00 C ATOM 219 CD ARG A 43 24.178 -11.301 0.192 1.00 0.00 C ATOM 220 NE ARG A 43 24.690 -12.209 1.257 1.00 0.00 N ATOM 221 CZ ARG A 43 25.800 -12.870 1.073 1.00 0.00 C ATOM 222 NH1 ARG A 43 26.708 -12.406 0.259 1.00 0.00 N ATOM 223 NH2 ARG A 43 26.002 -13.995 1.703 1.00 0.00 N ATOM 0 H ARG A 43 21.766 -8.725 1.899 1.00 0.00 H new ATOM 0 HA ARG A 43 20.556 -8.581 -0.837 1.00 0.00 H new ATOM 0 HB2 ARG A 43 22.201 -10.308 -1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 43 23.034 -8.971 -0.634 1.00 0.00 H new ATOM 0 HG2 ARG A 43 22.940 -10.181 1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 43 22.113 -11.519 0.795 1.00 0.00 H new ATOM 0 HD2 ARG A 43 24.066 -11.848 -0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 43 24.893 -10.498 0.009 1.00 0.00 H new ATOM 0 HE ARG A 43 24.173 -12.314 2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 43 26.550 -11.527 -0.233 1.00 0.00 H new ATOM 0 HH12 ARG A 43 27.576 -12.922 0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 43 25.292 -14.358 2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 43 26.870 -14.511 1.559 1.00 0.00 H new ATOM 237 N LYS A 44 19.690 -11.149 -0.650 1.00 0.00 N ATOM 238 CA LYS A 44 18.752 -12.275 -0.384 1.00 0.00 C ATOM 239 C LYS A 44 17.345 -11.722 -0.144 1.00 0.00 C ATOM 240 O LYS A 44 16.814 -11.804 0.946 1.00 0.00 O ATOM 241 CB LYS A 44 19.216 -13.044 0.855 1.00 0.00 C ATOM 242 CG LYS A 44 18.746 -14.497 0.761 1.00 0.00 C ATOM 243 CD LYS A 44 19.164 -15.252 2.024 1.00 0.00 C ATOM 244 CE LYS A 44 18.988 -16.755 1.804 1.00 0.00 C ATOM 245 NZ LYS A 44 19.560 -17.498 2.962 1.00 0.00 N ATOM 0 H LYS A 44 20.045 -11.096 -1.605 1.00 0.00 H new ATOM 0 HA LYS A 44 18.737 -12.945 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.303 -13.007 0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.815 -12.579 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.663 -14.533 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 44 19.177 -14.973 -0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 44 20.203 -15.029 2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.562 -14.925 2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.931 -16.995 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.484 -17.059 0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.440 -18.520 2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 20.572 -17.277 3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.067 -17.216 3.833 1.00 0.00 H new ATOM 259 N GLY A 45 16.738 -11.159 -1.153 1.00 0.00 N ATOM 260 CA GLY A 45 15.367 -10.602 -0.980 1.00 0.00 C ATOM 261 C GLY A 45 14.892 -9.990 -2.299 1.00 0.00 C ATOM 262 O GLY A 45 15.670 -9.453 -3.062 1.00 0.00 O ATOM 0 H GLY A 45 17.132 -11.061 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.681 -11.388 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.367 -9.845 -0.195 1.00 0.00 H new ATOM 266 N LYS A 46 13.618 -10.068 -2.575 1.00 0.00 N ATOM 267 CA LYS A 46 13.093 -9.491 -3.844 1.00 0.00 C ATOM 268 C LYS A 46 12.477 -8.119 -3.564 1.00 0.00 C ATOM 269 O LYS A 46 12.420 -7.265 -4.426 1.00 0.00 O ATOM 270 CB LYS A 46 12.023 -10.419 -4.422 1.00 0.00 C ATOM 271 CG LYS A 46 12.693 -11.614 -5.103 1.00 0.00 C ATOM 272 CD LYS A 46 11.622 -12.519 -5.713 1.00 0.00 C ATOM 273 CE LYS A 46 12.290 -13.698 -6.423 1.00 0.00 C ATOM 274 NZ LYS A 46 11.248 -14.669 -6.862 1.00 0.00 N ATOM 0 H LYS A 46 12.919 -10.507 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 46 13.909 -9.385 -4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.360 -10.764 -3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.407 -9.877 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.377 -11.268 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.287 -12.172 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.952 -12.883 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.013 -11.954 -6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.858 -13.344 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.998 -14.186 -5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.702 -15.471 -7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.725 -15.015 -6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.589 -14.199 -7.515 1.00 0.00 H new ATOM 288 N GLY A 47 12.011 -7.903 -2.364 1.00 0.00 N ATOM 289 CA GLY A 47 11.395 -6.588 -2.029 1.00 0.00 C ATOM 290 C GLY A 47 9.909 -6.787 -1.725 1.00 0.00 C ATOM 291 O GLY A 47 9.257 -7.634 -2.302 1.00 0.00 O ATOM 0 H GLY A 47 12.030 -8.580 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.898 -6.147 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.518 -5.894 -2.860 1.00 0.00 H new ATOM 295 N VAL A 48 9.368 -6.014 -0.824 1.00 0.00 N ATOM 296 CA VAL A 48 7.925 -6.165 -0.486 1.00 0.00 C ATOM 297 C VAL A 48 7.289 -4.783 -0.324 1.00 0.00 C ATOM 298 O VAL A 48 7.970 -3.791 -0.157 1.00 0.00 O ATOM 299 CB VAL A 48 7.787 -6.946 0.822 1.00 0.00 C ATOM 300 CG1 VAL A 48 8.078 -8.426 0.566 1.00 0.00 C ATOM 301 CG2 VAL A 48 8.784 -6.401 1.847 1.00 0.00 C ATOM 0 H VAL A 48 9.862 -5.286 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 48 7.420 -6.704 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 48 6.773 -6.836 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.980 -8.983 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.370 -8.815 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.092 -8.536 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.687 -6.956 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.798 -6.511 1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.578 -5.346 2.030 1.00 0.00 H new ATOM 311 N CYS A 49 5.987 -4.711 -0.370 1.00 0.00 N ATOM 312 CA CYS A 49 5.306 -3.394 -0.218 1.00 0.00 C ATOM 313 C CYS A 49 4.529 -3.373 1.100 1.00 0.00 C ATOM 314 O CYS A 49 3.890 -4.338 1.470 1.00 0.00 O ATOM 315 CB CYS A 49 4.337 -3.183 -1.383 1.00 0.00 C ATOM 316 SG CYS A 49 5.276 -2.962 -2.915 1.00 0.00 S ATOM 0 H CYS A 49 5.365 -5.508 -0.506 1.00 0.00 H new ATOM 0 HA CYS A 49 6.050 -2.598 -0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.668 -4.039 -1.474 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.713 -2.309 -1.197 1.00 0.00 H new ATOM 0 HG CYS A 49 4.454 -2.785 -3.906 1.00 0.00 H new ATOM 322 N LEU A 50 4.580 -2.281 1.813 1.00 0.00 N ATOM 323 CA LEU A 50 3.844 -2.202 3.106 1.00 0.00 C ATOM 324 C LEU A 50 3.053 -0.894 3.164 1.00 0.00 C ATOM 325 O LEU A 50 3.615 0.182 3.212 1.00 0.00 O ATOM 326 CB LEU A 50 4.843 -2.245 4.264 1.00 0.00 C ATOM 327 CG LEU A 50 6.055 -1.375 3.926 1.00 0.00 C ATOM 328 CD1 LEU A 50 6.589 -0.724 5.203 1.00 0.00 C ATOM 329 CD2 LEU A 50 7.148 -2.246 3.303 1.00 0.00 C ATOM 0 H LEU A 50 5.099 -1.441 1.556 1.00 0.00 H new ATOM 0 HA LEU A 50 3.158 -3.045 3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.370 -1.889 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.159 -3.272 4.447 1.00 0.00 H new ATOM 0 HG LEU A 50 5.760 -0.599 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.453 -0.104 4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.811 -0.104 5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.885 -1.499 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.012 -1.628 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.443 -3.021 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.768 -2.710 2.393 1.00 0.00 H new ATOM 341 N ILE A 51 1.750 -0.977 3.158 1.00 0.00 N ATOM 342 CA ILE A 51 0.924 0.262 3.213 1.00 0.00 C ATOM 343 C ILE A 51 0.724 0.678 4.671 1.00 0.00 C ATOM 344 O ILE A 51 0.360 -0.122 5.511 1.00 0.00 O ATOM 345 CB ILE A 51 -0.437 -0.004 2.567 1.00 0.00 C ATOM 346 CG1 ILE A 51 -0.257 -0.191 1.059 1.00 0.00 C ATOM 347 CG2 ILE A 51 -1.366 1.183 2.826 1.00 0.00 C ATOM 348 CD1 ILE A 51 -0.120 -1.681 0.741 1.00 0.00 C ATOM 0 H ILE A 51 1.222 -1.849 3.117 1.00 0.00 H new ATOM 0 HA ILE A 51 1.432 1.062 2.674 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.873 -0.906 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.110 0.228 0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.628 0.347 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.336 0.993 2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.494 1.317 3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.931 2.086 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.008 -1.813 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.747 -2.086 1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.018 -2.207 1.067 1.00 0.00 H new ATOM 360 N THR A 52 0.959 1.924 4.980 1.00 0.00 N ATOM 361 CA THR A 52 0.782 2.389 6.385 1.00 0.00 C ATOM 362 C THR A 52 0.192 3.801 6.384 1.00 0.00 C ATOM 363 O THR A 52 -0.153 4.339 5.350 1.00 0.00 O ATOM 364 CB THR A 52 2.140 2.405 7.091 1.00 0.00 C ATOM 365 OG1 THR A 52 3.123 2.935 6.213 1.00 0.00 O ATOM 366 CG2 THR A 52 2.525 0.980 7.492 1.00 0.00 C ATOM 0 H THR A 52 1.266 2.640 4.321 1.00 0.00 H new ATOM 0 HA THR A 52 0.107 1.713 6.910 1.00 0.00 H new ATOM 0 HB THR A 52 2.078 3.027 7.984 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.993 2.947 6.665 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.492 0.992 7.995 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.770 0.575 8.167 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.587 0.355 6.601 1.00 0.00 H new ATOM 374 N GLY A 53 0.073 4.405 7.534 1.00 0.00 N ATOM 375 CA GLY A 53 -0.495 5.782 7.598 1.00 0.00 C ATOM 376 C GLY A 53 -1.834 5.817 6.860 1.00 0.00 C ATOM 377 O GLY A 53 -2.062 6.653 6.009 1.00 0.00 O ATOM 0 H GLY A 53 0.344 4.005 8.432 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.632 6.082 8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.198 6.494 7.150 1.00 0.00 H new ATOM 381 N VAL A 54 -2.722 4.916 7.180 1.00 0.00 N ATOM 382 CA VAL A 54 -4.046 4.899 6.496 1.00 0.00 C ATOM 383 C VAL A 54 -5.075 5.628 7.362 1.00 0.00 C ATOM 384 O VAL A 54 -5.460 5.157 8.414 1.00 0.00 O ATOM 385 CB VAL A 54 -4.491 3.452 6.283 1.00 0.00 C ATOM 386 CG1 VAL A 54 -5.688 3.419 5.332 1.00 0.00 C ATOM 387 CG2 VAL A 54 -3.337 2.649 5.677 1.00 0.00 C ATOM 0 H VAL A 54 -2.588 4.191 7.885 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.964 5.399 5.531 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.777 3.016 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.004 2.387 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.510 3.991 5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.404 3.855 4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.653 1.617 5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.052 3.087 4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.483 2.671 6.354 1.00 0.00 H new ATOM 397 N ASP A 55 -5.525 6.773 6.928 1.00 0.00 N ATOM 398 CA ASP A 55 -6.529 7.530 7.727 1.00 0.00 C ATOM 399 C ASP A 55 -7.931 7.248 7.184 1.00 0.00 C ATOM 400 O ASP A 55 -8.504 8.049 6.471 1.00 0.00 O ATOM 401 CB ASP A 55 -6.235 9.029 7.627 1.00 0.00 C ATOM 402 CG ASP A 55 -5.049 9.377 8.528 1.00 0.00 C ATOM 403 OD1 ASP A 55 -3.968 8.872 8.274 1.00 0.00 O ATOM 404 OD2 ASP A 55 -5.242 10.143 9.458 1.00 0.00 O ATOM 0 H ASP A 55 -5.241 7.217 6.055 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.474 7.217 8.770 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.013 9.299 6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.112 9.603 7.925 1.00 0.00 H new ATOM 409 N LEU A 56 -8.489 6.116 7.514 1.00 0.00 N ATOM 410 CA LEU A 56 -9.853 5.784 7.017 1.00 0.00 C ATOM 411 C LEU A 56 -10.817 5.682 8.201 1.00 0.00 C ATOM 412 O LEU A 56 -10.499 6.072 9.307 1.00 0.00 O ATOM 413 CB LEU A 56 -9.815 4.445 6.276 1.00 0.00 C ATOM 414 CG LEU A 56 -9.889 4.694 4.768 1.00 0.00 C ATOM 415 CD1 LEU A 56 -11.217 5.370 4.426 1.00 0.00 C ATOM 416 CD2 LEU A 56 -8.732 5.602 4.345 1.00 0.00 C ATOM 0 H LEU A 56 -8.059 5.406 8.107 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.192 6.567 6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.900 3.907 6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.648 3.818 6.593 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.819 3.743 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.269 5.547 3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.042 4.725 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.288 6.321 4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.783 5.780 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.803 6.552 4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.784 5.121 4.588 1.00 0.00 H new ATOM 428 N ASP A 57 -11.992 5.161 7.979 1.00 0.00 N ATOM 429 CA ASP A 57 -12.974 5.035 9.093 1.00 0.00 C ATOM 430 C ASP A 57 -12.901 3.624 9.680 1.00 0.00 C ATOM 431 O ASP A 57 -12.598 3.439 10.842 1.00 0.00 O ATOM 432 CB ASP A 57 -14.385 5.294 8.561 1.00 0.00 C ATOM 433 CG ASP A 57 -14.738 6.770 8.745 1.00 0.00 C ATOM 434 OD1 ASP A 57 -13.823 7.571 8.839 1.00 0.00 O ATOM 435 OD2 ASP A 57 -15.919 7.076 8.790 1.00 0.00 O ATOM 0 H ASP A 57 -12.315 4.817 7.075 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.739 5.764 9.869 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.442 5.024 7.506 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.105 4.669 9.089 1.00 0.00 H new ATOM 440 N ASP A 58 -13.177 2.627 8.884 1.00 0.00 N ATOM 441 CA ASP A 58 -13.124 1.228 9.396 1.00 0.00 C ATOM 442 C ASP A 58 -13.590 0.268 8.300 1.00 0.00 C ATOM 443 O ASP A 58 -12.897 -0.664 7.942 1.00 0.00 O ATOM 444 CB ASP A 58 -14.040 1.095 10.614 1.00 0.00 C ATOM 445 CG ASP A 58 -13.217 0.656 11.827 1.00 0.00 C ATOM 446 OD1 ASP A 58 -13.019 -0.537 11.983 1.00 0.00 O ATOM 447 OD2 ASP A 58 -12.799 1.522 12.579 1.00 0.00 O ATOM 0 H ASP A 58 -13.437 2.721 7.902 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.101 0.984 9.683 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.530 2.047 10.819 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.827 0.368 10.413 1.00 0.00 H new ATOM 452 N ALA A 59 -14.759 0.488 7.763 1.00 0.00 N ATOM 453 CA ALA A 59 -15.267 -0.412 6.689 1.00 0.00 C ATOM 454 C ALA A 59 -14.542 -0.100 5.378 1.00 0.00 C ATOM 455 O ALA A 59 -14.461 -0.926 4.491 1.00 0.00 O ATOM 456 CB ALA A 59 -16.769 -0.191 6.507 1.00 0.00 C ATOM 0 H ALA A 59 -15.384 1.252 8.021 1.00 0.00 H new ATOM 0 HA ALA A 59 -15.084 -1.450 6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -17.141 -0.849 5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -17.285 -0.413 7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -16.953 0.847 6.228 1.00 0.00 H new ATOM 462 N GLU A 60 -14.013 1.086 5.250 1.00 0.00 N ATOM 463 CA GLU A 60 -13.294 1.449 3.997 1.00 0.00 C ATOM 464 C GLU A 60 -11.924 0.767 3.980 1.00 0.00 C ATOM 465 O GLU A 60 -11.420 0.389 2.941 1.00 0.00 O ATOM 466 CB GLU A 60 -13.108 2.967 3.935 1.00 0.00 C ATOM 467 CG GLU A 60 -14.224 3.584 3.090 1.00 0.00 C ATOM 468 CD GLU A 60 -15.554 3.469 3.836 1.00 0.00 C ATOM 469 OE1 GLU A 60 -16.093 2.375 3.882 1.00 0.00 O ATOM 470 OE2 GLU A 60 -16.012 4.477 4.350 1.00 0.00 O ATOM 0 H GLU A 60 -14.048 1.819 5.959 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.876 1.119 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.124 3.387 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.136 3.208 3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.001 4.631 2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.290 3.075 2.128 1.00 0.00 H new ATOM 477 N LEU A 61 -11.319 0.604 5.125 1.00 0.00 N ATOM 478 CA LEU A 61 -9.984 -0.056 5.175 1.00 0.00 C ATOM 479 C LEU A 61 -10.125 -1.519 4.751 1.00 0.00 C ATOM 480 O LEU A 61 -9.336 -2.033 3.984 1.00 0.00 O ATOM 481 CB LEU A 61 -9.435 0.011 6.601 1.00 0.00 C ATOM 482 CG LEU A 61 -7.967 -0.418 6.604 1.00 0.00 C ATOM 483 CD1 LEU A 61 -7.108 0.704 7.189 1.00 0.00 C ATOM 484 CD2 LEU A 61 -7.808 -1.678 7.457 1.00 0.00 C ATOM 0 H LEU A 61 -11.692 0.899 6.027 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.299 0.455 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.529 1.024 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.016 -0.638 7.256 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.647 -0.625 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.062 0.398 7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.222 1.603 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.427 0.912 8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.762 -1.985 7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.128 -1.469 8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.420 -2.478 7.041 1.00 0.00 H new ATOM 496 N THR A 62 -11.126 -2.194 5.246 1.00 0.00 N ATOM 497 CA THR A 62 -11.319 -3.623 4.872 1.00 0.00 C ATOM 498 C THR A 62 -11.734 -3.715 3.403 1.00 0.00 C ATOM 499 O THR A 62 -11.448 -4.682 2.726 1.00 0.00 O ATOM 500 CB THR A 62 -12.413 -4.237 5.750 1.00 0.00 C ATOM 501 OG1 THR A 62 -11.984 -4.238 7.105 1.00 0.00 O ATOM 502 CG2 THR A 62 -12.688 -5.672 5.298 1.00 0.00 C ATOM 0 H THR A 62 -11.818 -1.817 5.893 1.00 0.00 H new ATOM 0 HA THR A 62 -10.386 -4.166 5.020 1.00 0.00 H new ATOM 0 HB THR A 62 -13.326 -3.649 5.658 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.683 -4.629 7.669 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.467 -6.108 5.924 1.00 0.00 H new ATOM 0 HG22 THR A 62 -13.017 -5.669 4.259 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.777 -6.263 5.389 1.00 0.00 H new ATOM 510 N LYS A 63 -12.409 -2.715 2.904 1.00 0.00 N ATOM 511 CA LYS A 63 -12.843 -2.747 1.479 1.00 0.00 C ATOM 512 C LYS A 63 -11.623 -2.584 0.570 1.00 0.00 C ATOM 513 O LYS A 63 -11.548 -3.166 -0.494 1.00 0.00 O ATOM 514 CB LYS A 63 -13.828 -1.605 1.220 1.00 0.00 C ATOM 515 CG LYS A 63 -14.567 -1.857 -0.095 1.00 0.00 C ATOM 516 CD LYS A 63 -14.672 -0.549 -0.881 1.00 0.00 C ATOM 517 CE LYS A 63 -16.100 -0.378 -1.402 1.00 0.00 C ATOM 518 NZ LYS A 63 -16.544 1.028 -1.183 1.00 0.00 N ATOM 0 H LYS A 63 -12.678 -1.878 3.421 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.328 -3.700 1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.541 -1.532 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.296 -0.655 1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.038 -2.606 -0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.562 -2.254 0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.403 0.293 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.968 -0.556 -1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.143 -0.623 -2.463 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.771 -1.067 -0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.515 1.145 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.518 1.246 -0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.910 1.676 -1.692 1.00 0.00 H new ATOM 532 N LEU A 64 -10.666 -1.796 0.979 1.00 0.00 N ATOM 533 CA LEU A 64 -9.453 -1.598 0.137 1.00 0.00 C ATOM 534 C LEU A 64 -8.593 -2.863 0.175 1.00 0.00 C ATOM 535 O LEU A 64 -8.334 -3.480 -0.839 1.00 0.00 O ATOM 536 CB LEU A 64 -8.645 -0.415 0.675 1.00 0.00 C ATOM 537 CG LEU A 64 -8.253 0.504 -0.483 1.00 0.00 C ATOM 538 CD1 LEU A 64 -7.473 -0.295 -1.529 1.00 0.00 C ATOM 539 CD2 LEU A 64 -9.517 1.083 -1.123 1.00 0.00 C ATOM 0 H LEU A 64 -10.672 -1.281 1.860 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.754 -1.394 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.233 0.137 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.752 -0.774 1.187 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.629 1.315 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.194 0.361 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.573 -0.709 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.095 -1.107 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.239 1.738 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.140 0.271 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.073 1.653 -0.379 1.00 0.00 H new ATOM 551 N ALA A 65 -8.149 -3.254 1.338 1.00 0.00 N ATOM 552 CA ALA A 65 -7.306 -4.479 1.439 1.00 0.00 C ATOM 553 C ALA A 65 -7.968 -5.619 0.663 1.00 0.00 C ATOM 554 O ALA A 65 -7.324 -6.331 -0.082 1.00 0.00 O ATOM 555 CB ALA A 65 -7.160 -4.879 2.909 1.00 0.00 C ATOM 0 H ALA A 65 -8.333 -2.779 2.222 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.321 -4.277 1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.544 -5.775 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.688 -4.067 3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.145 -5.080 3.331 1.00 0.00 H new ATOM 561 N ALA A 66 -9.249 -5.799 0.832 1.00 0.00 N ATOM 562 CA ALA A 66 -9.949 -6.893 0.103 1.00 0.00 C ATOM 563 C ALA A 66 -9.869 -6.635 -1.402 1.00 0.00 C ATOM 564 O ALA A 66 -9.655 -7.537 -2.187 1.00 0.00 O ATOM 565 CB ALA A 66 -11.416 -6.937 0.535 1.00 0.00 C ATOM 0 H ALA A 66 -9.841 -5.236 1.443 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.473 -7.846 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.929 -7.738 0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.474 -7.121 1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.892 -5.984 0.304 1.00 0.00 H new ATOM 571 N GLU A 67 -10.042 -5.409 -1.812 1.00 0.00 N ATOM 572 CA GLU A 67 -9.978 -5.093 -3.266 1.00 0.00 C ATOM 573 C GLU A 67 -8.604 -5.488 -3.816 1.00 0.00 C ATOM 574 O GLU A 67 -8.474 -5.886 -4.957 1.00 0.00 O ATOM 575 CB GLU A 67 -10.199 -3.592 -3.471 1.00 0.00 C ATOM 576 CG GLU A 67 -11.036 -3.366 -4.732 1.00 0.00 C ATOM 577 CD GLU A 67 -11.053 -1.876 -5.075 1.00 0.00 C ATOM 578 OE1 GLU A 67 -9.982 -1.304 -5.203 1.00 0.00 O ATOM 579 OE2 GLU A 67 -12.137 -1.330 -5.204 1.00 0.00 O ATOM 0 H GLU A 67 -10.225 -4.612 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.752 -5.650 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.706 -3.167 -2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.240 -3.082 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.621 -3.936 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.053 -3.725 -4.575 1.00 0.00 H new ATOM 586 N LEU A 68 -7.579 -5.383 -3.014 1.00 0.00 N ATOM 587 CA LEU A 68 -6.216 -5.754 -3.492 1.00 0.00 C ATOM 588 C LEU A 68 -6.029 -7.268 -3.370 1.00 0.00 C ATOM 589 O LEU A 68 -5.201 -7.857 -4.036 1.00 0.00 O ATOM 590 CB LEU A 68 -5.165 -5.041 -2.638 1.00 0.00 C ATOM 591 CG LEU A 68 -5.155 -3.551 -2.979 1.00 0.00 C ATOM 592 CD1 LEU A 68 -4.989 -2.735 -1.696 1.00 0.00 C ATOM 593 CD2 LEU A 68 -3.989 -3.253 -3.925 1.00 0.00 C ATOM 0 H LEU A 68 -7.626 -5.056 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.102 -5.455 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.385 -5.181 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.181 -5.473 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.095 -3.283 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.982 -1.672 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.817 -2.947 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.049 -3.003 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.981 -2.191 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.050 -3.521 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.105 -3.834 -4.840 1.00 0.00 H new ATOM 605 N LYS A 69 -6.791 -7.901 -2.521 1.00 0.00 N ATOM 606 CA LYS A 69 -6.657 -9.376 -2.349 1.00 0.00 C ATOM 607 C LYS A 69 -7.285 -10.096 -3.546 1.00 0.00 C ATOM 608 O LYS A 69 -6.986 -11.241 -3.818 1.00 0.00 O ATOM 609 CB LYS A 69 -7.376 -9.805 -1.067 1.00 0.00 C ATOM 610 CG LYS A 69 -6.379 -10.471 -0.117 1.00 0.00 C ATOM 611 CD LYS A 69 -7.071 -11.614 0.630 1.00 0.00 C ATOM 612 CE LYS A 69 -7.229 -12.814 -0.306 1.00 0.00 C ATOM 613 NZ LYS A 69 -8.677 -13.057 -0.563 1.00 0.00 N ATOM 0 H LYS A 69 -7.502 -7.460 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.601 -9.636 -2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.830 -8.939 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.184 -10.497 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.526 -10.853 -0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.993 -9.740 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.487 -11.897 1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.047 -11.289 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.708 -12.627 -1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.774 -13.699 0.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.803 -13.408 -1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.035 -13.765 0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.204 -12.169 -0.445 1.00 0.00 H new ATOM 627 N LYS A 70 -8.160 -9.438 -4.255 1.00 0.00 N ATOM 628 CA LYS A 70 -8.815 -10.092 -5.425 1.00 0.00 C ATOM 629 C LYS A 70 -7.828 -10.206 -6.590 1.00 0.00 C ATOM 630 O LYS A 70 -8.062 -10.924 -7.541 1.00 0.00 O ATOM 631 CB LYS A 70 -10.023 -9.259 -5.859 1.00 0.00 C ATOM 632 CG LYS A 70 -11.084 -9.295 -4.758 1.00 0.00 C ATOM 633 CD LYS A 70 -12.437 -9.679 -5.361 1.00 0.00 C ATOM 634 CE LYS A 70 -13.046 -8.464 -6.061 1.00 0.00 C ATOM 635 NZ LYS A 70 -12.774 -8.548 -7.523 1.00 0.00 N ATOM 0 H LYS A 70 -8.450 -8.477 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.139 -11.092 -5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.719 -8.230 -6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.434 -9.651 -6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.800 -10.013 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.154 -8.321 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.312 -10.496 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.108 -10.036 -4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.120 -8.428 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.623 -7.546 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.434 -7.929 -8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.797 -8.245 -7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.900 -9.529 -7.844 1.00 0.00 H new ATOM 649 N LYS A 71 -6.728 -9.507 -6.529 1.00 0.00 N ATOM 650 CA LYS A 71 -5.739 -9.587 -7.642 1.00 0.00 C ATOM 651 C LYS A 71 -4.321 -9.478 -7.077 1.00 0.00 C ATOM 652 O LYS A 71 -3.453 -8.866 -7.668 1.00 0.00 O ATOM 653 CB LYS A 71 -5.987 -8.445 -8.630 1.00 0.00 C ATOM 654 CG LYS A 71 -6.665 -8.995 -9.887 1.00 0.00 C ATOM 655 CD LYS A 71 -5.607 -9.293 -10.951 1.00 0.00 C ATOM 656 CE LYS A 71 -5.560 -8.145 -11.961 1.00 0.00 C ATOM 657 NZ LYS A 71 -5.005 -8.641 -13.253 1.00 0.00 N ATOM 0 H LYS A 71 -6.472 -8.887 -5.761 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.850 -10.541 -8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.615 -7.682 -8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.044 -7.966 -8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.219 -9.902 -9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.386 -8.273 -10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.631 -9.419 -10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.840 -10.229 -11.459 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.560 -7.740 -12.114 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.943 -7.333 -11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.973 -7.860 -13.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.044 -9.007 -13.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.611 -9.402 -13.622 1.00 0.00 H new ATOM 671 N CYS A 72 -4.079 -10.066 -5.938 1.00 0.00 N ATOM 672 CA CYS A 72 -2.718 -9.995 -5.336 1.00 0.00 C ATOM 673 C CYS A 72 -1.953 -11.284 -5.645 1.00 0.00 C ATOM 674 O CYS A 72 -0.957 -11.276 -6.341 1.00 0.00 O ATOM 675 CB CYS A 72 -2.842 -9.829 -3.820 1.00 0.00 C ATOM 676 SG CYS A 72 -2.174 -8.220 -3.328 1.00 0.00 S ATOM 0 H CYS A 72 -4.765 -10.593 -5.398 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.180 -9.145 -5.755 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.887 -9.907 -3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.303 -10.629 -3.311 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.112 -7.322 -3.394 1.00 0.00 H new ATOM 682 N GLY A 73 -2.411 -12.393 -5.131 1.00 0.00 N ATOM 683 CA GLY A 73 -1.712 -13.683 -5.392 1.00 0.00 C ATOM 684 C GLY A 73 -1.173 -14.244 -4.075 1.00 0.00 C ATOM 685 O GLY A 73 -0.296 -15.086 -4.060 1.00 0.00 O ATOM 0 H GLY A 73 -3.240 -12.461 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.399 -14.395 -5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.895 -13.530 -6.097 1.00 0.00 H new ATOM 689 N CYS A 74 -1.690 -13.785 -2.969 1.00 0.00 N ATOM 690 CA CYS A 74 -1.206 -14.292 -1.653 1.00 0.00 C ATOM 691 C CYS A 74 -1.680 -13.355 -0.541 1.00 0.00 C ATOM 692 O CYS A 74 -1.034 -12.377 -0.223 1.00 0.00 O ATOM 693 CB CYS A 74 0.322 -14.342 -1.658 1.00 0.00 C ATOM 694 SG CYS A 74 0.870 -16.066 -1.744 1.00 0.00 S ATOM 0 H CYS A 74 -2.426 -13.081 -2.919 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.603 -15.292 -1.480 1.00 0.00 H new ATOM 0 HB2 CYS A 74 0.712 -13.783 -2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.715 -13.869 -0.758 1.00 0.00 H new ATOM 0 HG CYS A 74 0.604 -16.548 -2.922 1.00 0.00 H new ATOM 700 N GLY A 75 -2.804 -13.645 0.054 1.00 0.00 N ATOM 701 CA GLY A 75 -3.316 -12.769 1.146 1.00 0.00 C ATOM 702 C GLY A 75 -2.269 -12.667 2.257 1.00 0.00 C ATOM 703 O GLY A 75 -2.130 -13.554 3.075 1.00 0.00 O ATOM 0 H GLY A 75 -3.390 -14.450 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.543 -11.777 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.246 -13.174 1.545 1.00 0.00 H new ATOM 707 N GLY A 76 -1.531 -11.591 2.293 1.00 0.00 N ATOM 708 CA GLY A 76 -0.495 -11.432 3.352 1.00 0.00 C ATOM 709 C GLY A 76 -1.167 -11.036 4.668 1.00 0.00 C ATOM 710 O GLY A 76 -2.347 -11.251 4.862 1.00 0.00 O ATOM 0 H GLY A 76 -1.601 -10.815 1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.056 -12.364 3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.228 -10.671 3.057 1.00 0.00 H new ATOM 714 N ALA A 77 -0.428 -10.457 5.576 1.00 0.00 N ATOM 715 CA ALA A 77 -1.029 -10.048 6.876 1.00 0.00 C ATOM 716 C ALA A 77 -1.896 -8.806 6.664 1.00 0.00 C ATOM 717 O ALA A 77 -1.603 -7.967 5.836 1.00 0.00 O ATOM 718 CB ALA A 77 0.084 -9.727 7.876 1.00 0.00 C ATOM 0 H ALA A 77 0.565 -10.250 5.473 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.642 -10.861 7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.357 -9.428 8.827 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.705 -10.610 8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.698 -8.914 7.489 1.00 0.00 H new ATOM 724 N VAL A 78 -2.964 -8.681 7.404 1.00 0.00 N ATOM 725 CA VAL A 78 -3.845 -7.491 7.238 1.00 0.00 C ATOM 726 C VAL A 78 -4.225 -6.935 8.612 1.00 0.00 C ATOM 727 O VAL A 78 -5.181 -7.367 9.224 1.00 0.00 O ATOM 728 CB VAL A 78 -5.113 -7.895 6.485 1.00 0.00 C ATOM 729 CG1 VAL A 78 -5.996 -6.664 6.275 1.00 0.00 C ATOM 730 CG2 VAL A 78 -4.732 -8.484 5.125 1.00 0.00 C ATOM 0 H VAL A 78 -3.264 -9.349 8.114 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.313 -6.726 6.673 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.658 -8.639 7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.900 -6.952 5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.267 -6.242 7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.451 -5.920 5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.635 -8.772 4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.187 -7.739 4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.102 -9.361 5.272 1.00 0.00 H new ATOM 740 N LYS A 79 -3.485 -5.976 9.098 1.00 0.00 N ATOM 741 CA LYS A 79 -3.804 -5.388 10.430 1.00 0.00 C ATOM 742 C LYS A 79 -4.396 -3.990 10.238 1.00 0.00 C ATOM 743 O LYS A 79 -4.172 -3.343 9.234 1.00 0.00 O ATOM 744 CB LYS A 79 -2.526 -5.290 11.266 1.00 0.00 C ATOM 745 CG LYS A 79 -2.760 -5.930 12.636 1.00 0.00 C ATOM 746 CD LYS A 79 -1.760 -5.360 13.644 1.00 0.00 C ATOM 747 CE LYS A 79 -0.841 -6.478 14.139 1.00 0.00 C ATOM 748 NZ LYS A 79 0.581 -6.053 13.997 1.00 0.00 N ATOM 0 H LYS A 79 -2.673 -5.574 8.630 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.525 -6.023 10.945 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.705 -5.792 10.754 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.236 -4.246 11.386 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.779 -5.737 12.970 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.647 -7.012 12.568 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.171 -4.569 13.180 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.290 -4.912 14.484 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.060 -6.709 15.182 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.018 -7.389 13.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.206 -6.813 14.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.786 -5.854 12.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.745 -5.195 14.561 1.00 0.00 H new ATOM 762 N ASP A 80 -5.152 -3.518 11.191 1.00 0.00 N ATOM 763 CA ASP A 80 -5.758 -2.163 11.059 1.00 0.00 C ATOM 764 C ASP A 80 -4.669 -1.099 11.206 1.00 0.00 C ATOM 765 O ASP A 80 -4.240 -0.781 12.298 1.00 0.00 O ATOM 766 CB ASP A 80 -6.813 -1.967 12.149 1.00 0.00 C ATOM 767 CG ASP A 80 -7.508 -3.300 12.432 1.00 0.00 C ATOM 768 OD1 ASP A 80 -8.112 -3.836 11.517 1.00 0.00 O ATOM 769 OD2 ASP A 80 -7.423 -3.763 13.557 1.00 0.00 O ATOM 0 H ASP A 80 -5.376 -4.012 12.055 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.226 -2.070 10.079 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.346 -1.588 13.058 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.544 -1.223 11.833 1.00 0.00 H new ATOM 774 N GLY A 81 -4.218 -0.544 10.115 1.00 0.00 N ATOM 775 CA GLY A 81 -3.157 0.500 10.192 1.00 0.00 C ATOM 776 C GLY A 81 -1.903 0.009 9.467 1.00 0.00 C ATOM 777 O GLY A 81 -0.986 0.764 9.212 1.00 0.00 O ATOM 0 H GLY A 81 -4.538 -0.768 9.173 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.511 1.427 9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.924 0.721 11.234 1.00 0.00 H new ATOM 781 N VAL A 82 -1.856 -1.252 9.133 1.00 0.00 N ATOM 782 CA VAL A 82 -0.661 -1.793 8.425 1.00 0.00 C ATOM 783 C VAL A 82 -1.076 -2.995 7.576 1.00 0.00 C ATOM 784 O VAL A 82 -1.536 -3.995 8.086 1.00 0.00 O ATOM 785 CB VAL A 82 0.383 -2.232 9.452 1.00 0.00 C ATOM 786 CG1 VAL A 82 1.742 -2.381 8.767 1.00 0.00 C ATOM 787 CG2 VAL A 82 0.483 -1.180 10.559 1.00 0.00 C ATOM 0 H VAL A 82 -2.594 -1.931 9.320 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.237 -1.021 7.782 1.00 0.00 H new ATOM 0 HB VAL A 82 0.087 -3.188 9.884 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.486 -2.694 9.499 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.672 -3.130 7.978 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.038 -1.425 8.334 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.227 -1.492 11.292 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.778 -0.224 10.127 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.485 -1.073 11.048 1.00 0.00 H new ATOM 797 N ILE A 83 -0.918 -2.907 6.284 1.00 0.00 N ATOM 798 CA ILE A 83 -1.309 -4.048 5.410 1.00 0.00 C ATOM 799 C ILE A 83 -0.104 -4.503 4.584 1.00 0.00 C ATOM 800 O ILE A 83 0.495 -3.729 3.864 1.00 0.00 O ATOM 801 CB ILE A 83 -2.434 -3.609 4.472 1.00 0.00 C ATOM 802 CG1 ILE A 83 -3.659 -3.211 5.298 1.00 0.00 C ATOM 803 CG2 ILE A 83 -2.803 -4.765 3.542 1.00 0.00 C ATOM 804 CD1 ILE A 83 -4.420 -2.096 4.578 1.00 0.00 C ATOM 0 H ILE A 83 -0.536 -2.096 5.797 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.653 -4.876 6.030 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.101 -2.757 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.309 -4.074 5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.350 -2.874 6.288 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.605 -4.452 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.931 -5.051 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.136 -5.617 4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.293 -1.812 5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.768 -1.231 4.456 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.742 -2.449 3.598 1.00 0.00 H new ATOM 816 N GLU A 84 0.254 -5.755 4.681 1.00 0.00 N ATOM 817 CA GLU A 84 1.417 -6.261 3.899 1.00 0.00 C ATOM 818 C GLU A 84 0.923 -6.818 2.563 1.00 0.00 C ATOM 819 O GLU A 84 -0.065 -7.522 2.501 1.00 0.00 O ATOM 820 CB GLU A 84 2.119 -7.371 4.687 1.00 0.00 C ATOM 821 CG GLU A 84 3.580 -6.986 4.924 1.00 0.00 C ATOM 822 CD GLU A 84 4.398 -8.243 5.226 1.00 0.00 C ATOM 823 OE1 GLU A 84 3.795 -9.285 5.424 1.00 0.00 O ATOM 824 OE2 GLU A 84 5.614 -8.142 5.256 1.00 0.00 O ATOM 0 H GLU A 84 -0.209 -6.449 5.268 1.00 0.00 H new ATOM 0 HA GLU A 84 2.118 -5.446 3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.615 -7.529 5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.064 -8.311 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.981 -6.481 4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.652 -6.284 5.755 1.00 0.00 H new ATOM 831 N ILE A 85 1.600 -6.508 1.491 1.00 0.00 N ATOM 832 CA ILE A 85 1.164 -7.021 0.162 1.00 0.00 C ATOM 833 C ILE A 85 2.366 -7.613 -0.577 1.00 0.00 C ATOM 834 O ILE A 85 3.120 -6.910 -1.220 1.00 0.00 O ATOM 835 CB ILE A 85 0.570 -5.871 -0.658 1.00 0.00 C ATOM 836 CG1 ILE A 85 -0.818 -5.526 -0.113 1.00 0.00 C ATOM 837 CG2 ILE A 85 0.448 -6.289 -2.125 1.00 0.00 C ATOM 838 CD1 ILE A 85 -1.797 -6.648 -0.466 1.00 0.00 C ATOM 0 H ILE A 85 2.435 -5.922 1.478 1.00 0.00 H new ATOM 0 HA ILE A 85 0.409 -7.795 0.300 1.00 0.00 H new ATOM 0 HB ILE A 85 1.223 -5.001 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.774 -5.394 0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.162 -4.582 -0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.025 -5.468 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.435 -6.538 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.203 -7.160 -2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.786 -6.403 -0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.849 -6.758 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.454 -7.583 -0.022 1.00 0.00 H new ATOM 850 N GLN A 86 2.549 -8.902 -0.491 1.00 0.00 N ATOM 851 CA GLN A 86 3.700 -9.539 -1.189 1.00 0.00 C ATOM 852 C GLN A 86 3.636 -9.208 -2.681 1.00 0.00 C ATOM 853 O GLN A 86 2.597 -9.303 -3.304 1.00 0.00 O ATOM 854 CB GLN A 86 3.634 -11.056 -1.001 1.00 0.00 C ATOM 855 CG GLN A 86 4.938 -11.551 -0.373 1.00 0.00 C ATOM 856 CD GLN A 86 4.988 -13.078 -0.440 1.00 0.00 C ATOM 857 OE1 GLN A 86 4.008 -13.715 -0.773 1.00 0.00 O ATOM 858 NE2 GLN A 86 6.096 -13.698 -0.137 1.00 0.00 N ATOM 0 H GLN A 86 1.951 -9.541 0.033 1.00 0.00 H new ATOM 0 HA GLN A 86 4.633 -9.161 -0.771 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.789 -11.317 -0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 86 3.472 -11.545 -1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.792 -11.125 -0.899 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.004 -11.219 0.663 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.919 -13.164 0.143 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.139 -14.716 -0.180 1.00 0.00 H new ATOM 867 N GLY A 87 4.738 -8.818 -3.260 1.00 0.00 N ATOM 868 CA GLY A 87 4.737 -8.481 -4.711 1.00 0.00 C ATOM 869 C GLY A 87 5.686 -7.308 -4.964 1.00 0.00 C ATOM 870 O GLY A 87 6.218 -6.719 -4.045 1.00 0.00 O ATOM 0 H GLY A 87 5.638 -8.718 -2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.048 -9.346 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.729 -8.223 -5.034 1.00 0.00 H new ATOM 874 N ASP A 88 5.901 -6.964 -6.204 1.00 0.00 N ATOM 875 CA ASP A 88 6.816 -5.830 -6.514 1.00 0.00 C ATOM 876 C ASP A 88 6.230 -5.002 -7.660 1.00 0.00 C ATOM 877 O ASP A 88 6.610 -5.152 -8.804 1.00 0.00 O ATOM 878 CB ASP A 88 8.183 -6.378 -6.929 1.00 0.00 C ATOM 879 CG ASP A 88 8.568 -7.538 -6.009 1.00 0.00 C ATOM 880 OD1 ASP A 88 8.732 -7.300 -4.824 1.00 0.00 O ATOM 881 OD2 ASP A 88 8.693 -8.645 -6.506 1.00 0.00 O ATOM 0 H ASP A 88 5.483 -7.419 -7.015 1.00 0.00 H new ATOM 0 HA ASP A 88 6.929 -5.201 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.152 -6.716 -7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.935 -5.591 -6.873 1.00 0.00 H new ATOM 886 N LYS A 89 5.307 -4.129 -7.362 1.00 0.00 N ATOM 887 CA LYS A 89 4.699 -3.294 -8.436 1.00 0.00 C ATOM 888 C LYS A 89 4.374 -1.906 -7.880 1.00 0.00 C ATOM 889 O LYS A 89 3.283 -1.398 -8.050 1.00 0.00 O ATOM 890 CB LYS A 89 3.413 -3.959 -8.932 1.00 0.00 C ATOM 891 CG LYS A 89 2.394 -4.014 -7.793 1.00 0.00 C ATOM 892 CD LYS A 89 1.536 -5.273 -7.935 1.00 0.00 C ATOM 893 CE LYS A 89 0.428 -5.258 -6.879 1.00 0.00 C ATOM 894 NZ LYS A 89 0.025 -6.657 -6.560 1.00 0.00 N ATOM 0 H LYS A 89 4.948 -3.958 -6.423 1.00 0.00 H new ATOM 0 HA LYS A 89 5.401 -3.198 -9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.004 -3.400 -9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.627 -4.966 -9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.907 -4.018 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.762 -3.126 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.101 -5.319 -8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.154 -6.163 -7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.777 -4.755 -5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.431 -4.696 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.728 -6.646 -5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.325 -7.123 -7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.846 -7.180 -6.193 1.00 0.00 H new ATOM 908 N ARG A 90 5.313 -1.288 -7.216 1.00 0.00 N ATOM 909 CA ARG A 90 5.057 0.066 -6.651 1.00 0.00 C ATOM 910 C ARG A 90 4.415 0.953 -7.720 1.00 0.00 C ATOM 911 O ARG A 90 3.549 1.756 -7.436 1.00 0.00 O ATOM 912 CB ARG A 90 6.379 0.689 -6.198 1.00 0.00 C ATOM 913 CG ARG A 90 7.360 0.714 -7.372 1.00 0.00 C ATOM 914 CD ARG A 90 8.785 0.889 -6.844 1.00 0.00 C ATOM 915 NE ARG A 90 9.541 1.805 -7.744 1.00 0.00 N ATOM 916 CZ ARG A 90 10.735 2.210 -7.409 1.00 0.00 C ATOM 917 NH1 ARG A 90 11.682 1.339 -7.188 1.00 0.00 N ATOM 918 NH2 ARG A 90 10.984 3.486 -7.296 1.00 0.00 N ATOM 0 H ARG A 90 6.245 -1.663 -7.041 1.00 0.00 H new ATOM 0 HA ARG A 90 4.384 -0.019 -5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.209 1.701 -5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.799 0.116 -5.371 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.284 -0.211 -7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.110 1.529 -8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.762 1.294 -5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.285 -0.078 -6.789 1.00 0.00 H new ATOM 0 HE ARG A 90 9.125 2.115 -8.622 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.488 0.342 -7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.615 1.656 -6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.245 4.167 -7.470 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.918 3.802 -7.034 1.00 0.00 H new ATOM 932 N ASP A 91 4.833 0.814 -8.948 1.00 0.00 N ATOM 933 CA ASP A 91 4.246 1.649 -10.034 1.00 0.00 C ATOM 934 C ASP A 91 2.728 1.457 -10.060 1.00 0.00 C ATOM 935 O ASP A 91 1.973 2.409 -10.079 1.00 0.00 O ATOM 936 CB ASP A 91 4.837 1.226 -11.380 1.00 0.00 C ATOM 937 CG ASP A 91 6.344 1.487 -11.381 1.00 0.00 C ATOM 938 OD1 ASP A 91 6.764 2.423 -10.720 1.00 0.00 O ATOM 939 OD2 ASP A 91 7.053 0.747 -12.043 1.00 0.00 O ATOM 0 H ASP A 91 5.555 0.159 -9.246 1.00 0.00 H new ATOM 0 HA ASP A 91 4.477 2.698 -9.851 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.640 0.169 -11.559 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.361 1.781 -12.189 1.00 0.00 H new ATOM 944 N LEU A 92 2.275 0.233 -10.062 1.00 0.00 N ATOM 945 CA LEU A 92 0.807 -0.017 -10.087 1.00 0.00 C ATOM 946 C LEU A 92 0.161 0.611 -8.851 1.00 0.00 C ATOM 947 O LEU A 92 -0.872 1.246 -8.933 1.00 0.00 O ATOM 948 CB LEU A 92 0.546 -1.525 -10.088 1.00 0.00 C ATOM 949 CG LEU A 92 -0.565 -1.851 -11.087 1.00 0.00 C ATOM 950 CD1 LEU A 92 -1.874 -1.212 -10.621 1.00 0.00 C ATOM 951 CD2 LEU A 92 -0.190 -1.298 -12.464 1.00 0.00 C ATOM 0 H LEU A 92 2.858 -0.604 -10.047 1.00 0.00 H new ATOM 0 HA LEU A 92 0.379 0.427 -10.986 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.457 -2.062 -10.353 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.260 -1.856 -9.090 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.691 -2.932 -11.150 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.666 -1.444 -11.333 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.141 -1.605 -9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.749 -0.131 -10.557 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.981 -1.530 -13.177 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.064 -0.217 -12.400 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.743 -1.753 -12.797 1.00 0.00 H new ATOM 963 N LEU A 93 0.761 0.440 -7.705 1.00 0.00 N ATOM 964 CA LEU A 93 0.181 1.028 -6.465 1.00 0.00 C ATOM 965 C LEU A 93 0.006 2.537 -6.651 1.00 0.00 C ATOM 966 O LEU A 93 -0.934 3.128 -6.157 1.00 0.00 O ATOM 967 CB LEU A 93 1.122 0.765 -5.287 1.00 0.00 C ATOM 968 CG LEU A 93 0.743 -0.556 -4.616 1.00 0.00 C ATOM 969 CD1 LEU A 93 -0.659 -0.441 -4.016 1.00 0.00 C ATOM 970 CD2 LEU A 93 0.761 -1.678 -5.656 1.00 0.00 C ATOM 0 H LEU A 93 1.628 -0.081 -7.574 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.788 0.571 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.154 0.726 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.059 1.582 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 93 1.459 -0.780 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.929 -1.383 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.673 0.359 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.376 -0.217 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.491 -2.620 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.045 -1.453 -6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.760 -1.761 -6.084 1.00 0.00 H new ATOM 982 N LYS A 94 0.903 3.165 -7.361 1.00 0.00 N ATOM 983 CA LYS A 94 0.786 4.634 -7.578 1.00 0.00 C ATOM 984 C LYS A 94 -0.521 4.939 -8.311 1.00 0.00 C ATOM 985 O LYS A 94 -1.386 5.623 -7.800 1.00 0.00 O ATOM 986 CB LYS A 94 1.968 5.121 -8.419 1.00 0.00 C ATOM 987 CG LYS A 94 1.980 6.651 -8.446 1.00 0.00 C ATOM 988 CD LYS A 94 3.272 7.140 -9.104 1.00 0.00 C ATOM 989 CE LYS A 94 3.067 8.559 -9.638 1.00 0.00 C ATOM 990 NZ LYS A 94 4.357 9.079 -10.173 1.00 0.00 N ATOM 0 H LYS A 94 1.711 2.724 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 94 0.790 5.145 -6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.903 4.747 -8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.892 4.729 -9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.116 7.022 -8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.905 7.044 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.088 7.126 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.554 6.471 -9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.310 8.558 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.702 9.209 -8.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.219 10.044 -10.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.067 9.094 -9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.687 8.463 -10.943 1.00 0.00 H new ATOM 1004 N SER A 95 -0.674 4.436 -9.506 1.00 0.00 N ATOM 1005 CA SER A 95 -1.926 4.697 -10.270 1.00 0.00 C ATOM 1006 C SER A 95 -3.115 4.095 -9.519 1.00 0.00 C ATOM 1007 O SER A 95 -4.258 4.392 -9.807 1.00 0.00 O ATOM 1008 CB SER A 95 -1.820 4.058 -11.655 1.00 0.00 C ATOM 1009 OG SER A 95 -0.454 3.996 -12.041 1.00 0.00 O ATOM 0 H SER A 95 0.014 3.856 -9.986 1.00 0.00 H new ATOM 0 HA SER A 95 -2.070 5.772 -10.377 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.251 3.057 -11.640 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.389 4.639 -12.381 1.00 0.00 H new ATOM 0 HG SER A 95 -0.383 3.585 -12.928 1.00 0.00 H new ATOM 1015 N LEU A 96 -2.857 3.251 -8.558 1.00 0.00 N ATOM 1016 CA LEU A 96 -3.973 2.632 -7.790 1.00 0.00 C ATOM 1017 C LEU A 96 -4.594 3.677 -6.861 1.00 0.00 C ATOM 1018 O LEU A 96 -5.755 4.015 -6.980 1.00 0.00 O ATOM 1019 CB LEU A 96 -3.434 1.466 -6.958 1.00 0.00 C ATOM 1020 CG LEU A 96 -4.506 1.005 -5.970 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -4.361 -0.498 -5.723 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -4.336 1.757 -4.648 1.00 0.00 C ATOM 0 H LEU A 96 -1.921 2.963 -8.272 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.731 2.265 -8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.148 0.641 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.537 1.773 -6.420 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.494 1.211 -6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.125 -0.826 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.480 -1.035 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.374 -0.705 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.100 1.430 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.348 1.550 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.439 2.828 -4.823 1.00 0.00 H new ATOM 1034 N LEU A 97 -3.830 4.192 -5.937 1.00 0.00 N ATOM 1035 CA LEU A 97 -4.378 5.214 -5.002 1.00 0.00 C ATOM 1036 C LEU A 97 -4.822 6.445 -5.796 1.00 0.00 C ATOM 1037 O LEU A 97 -5.760 7.125 -5.432 1.00 0.00 O ATOM 1038 CB LEU A 97 -3.297 5.619 -3.997 1.00 0.00 C ATOM 1039 CG LEU A 97 -3.849 5.495 -2.576 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -3.107 4.382 -1.835 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -3.650 6.820 -1.836 1.00 0.00 C ATOM 0 H LEU A 97 -2.850 3.949 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.232 4.797 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.420 4.983 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.976 6.643 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.912 5.257 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.501 4.294 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.247 3.438 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.044 4.620 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.043 6.734 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.587 7.057 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.178 7.614 -2.363 1.00 0.00 H new ATOM 1053 N GLU A 98 -4.155 6.735 -6.880 1.00 0.00 N ATOM 1054 CA GLU A 98 -4.540 7.920 -7.696 1.00 0.00 C ATOM 1055 C GLU A 98 -5.856 7.635 -8.421 1.00 0.00 C ATOM 1056 O GLU A 98 -6.598 8.535 -8.760 1.00 0.00 O ATOM 1057 CB GLU A 98 -3.444 8.209 -8.724 1.00 0.00 C ATOM 1058 CG GLU A 98 -3.413 9.708 -9.031 1.00 0.00 C ATOM 1059 CD GLU A 98 -2.020 10.263 -8.727 1.00 0.00 C ATOM 1060 OE1 GLU A 98 -1.350 9.696 -7.880 1.00 0.00 O ATOM 1061 OE2 GLU A 98 -1.648 11.246 -9.347 1.00 0.00 O ATOM 0 H GLU A 98 -3.361 6.203 -7.235 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.665 8.785 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.476 7.886 -8.340 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.629 7.644 -9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.664 9.881 -10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.162 10.228 -8.433 1.00 0.00 H new ATOM 1068 N ALA A 99 -6.152 6.387 -8.663 1.00 0.00 N ATOM 1069 CA ALA A 99 -7.421 6.045 -9.366 1.00 0.00 C ATOM 1070 C ALA A 99 -8.609 6.356 -8.454 1.00 0.00 C ATOM 1071 O ALA A 99 -9.702 6.626 -8.912 1.00 0.00 O ATOM 1072 CB ALA A 99 -7.424 4.556 -9.717 1.00 0.00 C ATOM 0 H ALA A 99 -5.570 5.590 -8.404 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.500 6.634 -10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.352 4.305 -10.231 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.578 4.334 -10.367 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.345 3.967 -8.803 1.00 0.00 H new ATOM 1078 N LYS A 100 -8.405 6.320 -7.165 1.00 0.00 N ATOM 1079 CA LYS A 100 -9.523 6.614 -6.226 1.00 0.00 C ATOM 1080 C LYS A 100 -9.619 8.125 -6.003 1.00 0.00 C ATOM 1081 O LYS A 100 -10.695 8.684 -5.925 1.00 0.00 O ATOM 1082 CB LYS A 100 -9.263 5.917 -4.889 1.00 0.00 C ATOM 1083 CG LYS A 100 -10.548 5.244 -4.404 1.00 0.00 C ATOM 1084 CD LYS A 100 -10.282 3.759 -4.149 1.00 0.00 C ATOM 1085 CE LYS A 100 -11.589 3.066 -3.760 1.00 0.00 C ATOM 1086 NZ LYS A 100 -12.504 3.034 -4.937 1.00 0.00 N ATOM 0 H LYS A 100 -7.513 6.100 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.458 6.249 -6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.472 5.175 -5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.918 6.641 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.900 5.723 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.335 5.361 -5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.864 3.295 -5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.545 3.642 -3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.387 2.052 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.062 3.595 -2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -13.213 2.284 -4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -12.984 3.952 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.954 2.843 -5.799 1.00 0.00 H new ATOM 1100 N GLY A 101 -8.501 8.791 -5.901 1.00 0.00 N ATOM 1101 CA GLY A 101 -8.529 10.265 -5.684 1.00 0.00 C ATOM 1102 C GLY A 101 -7.874 10.597 -4.342 1.00 0.00 C ATOM 1103 O GLY A 101 -8.007 11.691 -3.830 1.00 0.00 O ATOM 0 H GLY A 101 -7.570 8.378 -5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.003 10.772 -6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.558 10.626 -5.698 1.00 0.00 H new ATOM 1107 N MET A 102 -7.167 9.662 -3.769 1.00 0.00 N ATOM 1108 CA MET A 102 -6.505 9.925 -2.461 1.00 0.00 C ATOM 1109 C MET A 102 -5.047 10.325 -2.699 1.00 0.00 C ATOM 1110 O MET A 102 -4.450 9.966 -3.694 1.00 0.00 O ATOM 1111 CB MET A 102 -6.553 8.661 -1.601 1.00 0.00 C ATOM 1112 CG MET A 102 -8.010 8.289 -1.320 1.00 0.00 C ATOM 1113 SD MET A 102 -8.183 6.487 -1.315 1.00 0.00 S ATOM 1114 CE MET A 102 -7.081 6.158 0.083 1.00 0.00 C ATOM 0 H MET A 102 -7.019 8.728 -4.150 1.00 0.00 H new ATOM 0 HA MET A 102 -7.025 10.734 -1.947 1.00 0.00 H new ATOM 0 HB2 MET A 102 -6.050 7.841 -2.113 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.022 8.826 -0.664 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.322 8.698 -0.359 1.00 0.00 H new ATOM 0 HG3 MET A 102 -8.661 8.725 -2.078 1.00 0.00 H new ATOM 0 HE1 MET A 102 -7.524 5.396 0.724 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.118 5.806 -0.288 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.936 7.074 0.656 1.00 0.00 H new ATOM 1124 N LYS A 103 -4.470 11.067 -1.793 1.00 0.00 N ATOM 1125 CA LYS A 103 -3.052 11.488 -1.969 1.00 0.00 C ATOM 1126 C LYS A 103 -2.124 10.351 -1.537 1.00 0.00 C ATOM 1127 O LYS A 103 -2.135 9.926 -0.398 1.00 0.00 O ATOM 1128 CB LYS A 103 -2.777 12.724 -1.109 1.00 0.00 C ATOM 1129 CG LYS A 103 -2.581 13.942 -2.014 1.00 0.00 C ATOM 1130 CD LYS A 103 -3.944 14.452 -2.487 1.00 0.00 C ATOM 1131 CE LYS A 103 -3.778 15.830 -3.131 1.00 0.00 C ATOM 1132 NZ LYS A 103 -5.121 16.399 -3.439 1.00 0.00 N ATOM 0 H LYS A 103 -4.919 11.399 -0.940 1.00 0.00 H new ATOM 0 HA LYS A 103 -2.872 11.726 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.608 12.896 -0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.888 12.565 -0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.054 14.729 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.963 13.675 -2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.377 13.754 -3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.634 14.513 -1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -3.235 16.494 -2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.188 15.748 -4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.009 17.336 -3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.623 15.768 -4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.669 16.491 -2.560 1.00 0.00 H new ATOM 1146 N VAL A 104 -1.322 9.853 -2.438 1.00 0.00 N ATOM 1147 CA VAL A 104 -0.395 8.743 -2.078 1.00 0.00 C ATOM 1148 C VAL A 104 1.052 9.227 -2.201 1.00 0.00 C ATOM 1149 O VAL A 104 1.421 9.873 -3.162 1.00 0.00 O ATOM 1150 CB VAL A 104 -0.620 7.563 -3.025 1.00 0.00 C ATOM 1151 CG1 VAL A 104 -0.207 7.960 -4.443 1.00 0.00 C ATOM 1152 CG2 VAL A 104 0.223 6.373 -2.563 1.00 0.00 C ATOM 0 H VAL A 104 -1.269 10.167 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.587 8.427 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.675 7.287 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.367 7.119 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.806 8.809 -4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.848 8.236 -4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.064 5.531 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.277 6.649 -2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.071 6.089 -1.552 1.00 0.00 H new ATOM 1162 N LYS A 105 1.874 8.920 -1.235 1.00 0.00 N ATOM 1163 CA LYS A 105 3.295 9.363 -1.298 1.00 0.00 C ATOM 1164 C LYS A 105 4.178 8.186 -1.720 1.00 0.00 C ATOM 1165 O LYS A 105 4.556 7.361 -0.913 1.00 0.00 O ATOM 1166 CB LYS A 105 3.736 9.862 0.080 1.00 0.00 C ATOM 1167 CG LYS A 105 4.900 10.841 -0.080 1.00 0.00 C ATOM 1168 CD LYS A 105 5.367 11.309 1.300 1.00 0.00 C ATOM 1169 CE LYS A 105 6.479 12.348 1.138 1.00 0.00 C ATOM 1170 NZ LYS A 105 7.005 12.725 2.480 1.00 0.00 N ATOM 0 H LYS A 105 1.623 8.382 -0.406 1.00 0.00 H new ATOM 0 HA LYS A 105 3.392 10.170 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 105 2.903 10.351 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 105 4.038 9.021 0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.722 10.361 -0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.590 11.696 -0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.531 11.739 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.730 10.460 1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.282 11.944 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.096 13.230 0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.761 13.431 2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.236 13.127 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.386 11.881 2.953 1.00 0.00 H new ATOM 1184 N LEU A 106 4.509 8.103 -2.980 1.00 0.00 N ATOM 1185 CA LEU A 106 5.367 6.980 -3.452 1.00 0.00 C ATOM 1186 C LEU A 106 6.542 6.796 -2.490 1.00 0.00 C ATOM 1187 O LEU A 106 7.045 5.705 -2.310 1.00 0.00 O ATOM 1188 CB LEU A 106 5.898 7.297 -4.851 1.00 0.00 C ATOM 1189 CG LEU A 106 6.585 6.059 -5.430 1.00 0.00 C ATOM 1190 CD1 LEU A 106 5.620 4.873 -5.388 1.00 0.00 C ATOM 1191 CD2 LEU A 106 6.991 6.333 -6.879 1.00 0.00 C ATOM 0 H LEU A 106 4.222 8.764 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 106 4.779 6.063 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.080 7.608 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.602 8.128 -4.804 1.00 0.00 H new ATOM 0 HG LEU A 106 7.472 5.827 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.110 3.991 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.329 4.677 -4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.733 5.105 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.481 5.451 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.104 6.565 -7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.679 7.178 -6.911 1.00 0.00 H new ATOM 1203 N ALA A 107 6.984 7.856 -1.869 1.00 0.00 N ATOM 1204 CA ALA A 107 8.126 7.740 -0.919 1.00 0.00 C ATOM 1205 C ALA A 107 9.371 7.270 -1.673 1.00 0.00 C ATOM 1206 O ALA A 107 9.346 7.076 -2.872 1.00 0.00 O ATOM 1207 CB ALA A 107 7.779 6.729 0.175 1.00 0.00 C ATOM 0 H ALA A 107 6.604 8.796 -1.979 1.00 0.00 H new ATOM 0 HA ALA A 107 8.322 8.712 -0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 107 8.614 6.644 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.892 7.065 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.583 5.757 -0.277 1.00 0.00 H new ATOM 1213 N GLY A 108 10.461 7.084 -0.980 1.00 0.00 N ATOM 1214 CA GLY A 108 11.706 6.626 -1.658 1.00 0.00 C ATOM 1215 C GLY A 108 12.924 7.206 -0.938 1.00 0.00 C ATOM 1216 O GLY A 108 12.970 7.266 0.275 1.00 0.00 O ATOM 0 H GLY A 108 10.543 7.229 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.754 5.537 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.702 6.943 -2.701 1.00 0.00 H new ATOM 1220 N GLY A 109 13.913 7.635 -1.674 1.00 0.00 N ATOM 1221 CA GLY A 109 15.127 8.211 -1.030 1.00 0.00 C ATOM 1222 C GLY A 109 14.708 9.173 0.083 1.00 0.00 C ATOM 1223 O GLY A 109 13.890 10.049 -0.117 1.00 0.00 O ATOM 0 H GLY A 109 13.932 7.611 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 109 15.748 7.414 -0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 109 15.730 8.736 -1.771 1.00 0.00 H new ATOM 1227 N LEU A 110 15.262 9.018 1.254 1.00 0.00 N ATOM 1228 CA LEU A 110 14.895 9.925 2.378 1.00 0.00 C ATOM 1229 C LEU A 110 15.787 9.628 3.585 1.00 0.00 C ATOM 1230 O LEU A 110 15.793 8.532 4.109 1.00 0.00 O ATOM 1231 CB LEU A 110 13.430 9.699 2.757 1.00 0.00 C ATOM 1232 CG LEU A 110 13.053 10.627 3.913 1.00 0.00 C ATOM 1233 CD1 LEU A 110 11.705 11.287 3.619 1.00 0.00 C ATOM 1234 CD2 LEU A 110 12.949 9.814 5.205 1.00 0.00 C ATOM 0 H LEU A 110 15.953 8.303 1.481 1.00 0.00 H new ATOM 0 HA LEU A 110 15.035 10.961 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 110 12.787 9.891 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 110 13.274 8.659 3.045 1.00 0.00 H new ATOM 0 HG LEU A 110 13.818 11.396 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 110 11.436 11.948 4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 110 11.776 11.865 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.940 10.518 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 110 12.680 10.474 6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 110 12.184 9.046 5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.908 9.342 5.416 1.00 0.00 H new ATOM 1246 N GLU A 111 16.539 10.596 4.031 1.00 0.00 N ATOM 1247 CA GLU A 111 17.429 10.368 5.204 1.00 0.00 C ATOM 1248 C GLU A 111 17.242 11.501 6.214 1.00 0.00 C ATOM 1249 O GLU A 111 17.136 11.206 7.393 1.00 0.00 O ATOM 1250 CB GLU A 111 18.887 10.335 4.739 1.00 0.00 C ATOM 1251 CG GLU A 111 19.152 11.516 3.805 1.00 0.00 C ATOM 1252 CD GLU A 111 20.641 11.566 3.454 1.00 0.00 C ATOM 1253 OE1 GLU A 111 21.330 10.601 3.742 1.00 0.00 O ATOM 1254 OE2 GLU A 111 21.066 12.568 2.904 1.00 0.00 O ATOM 0 H GLU A 111 16.576 11.535 3.634 1.00 0.00 H new ATOM 0 HA GLU A 111 17.175 9.417 5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 111 19.555 10.381 5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 111 19.094 9.397 4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 111 18.557 11.416 2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 111 18.849 12.447 4.284 1.00 0.00 H new TER 1261 GLU A 111