USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 674 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 0 HIS : no HD1:sc= -3.49 K(o=-9.5,f=-19!) USER MOD Set 1.2: A 39 HIS : no HD1:sc= -2.87! C(o=-9.5!,f=-9.9!) USER MOD Set 1.3: A 52 GLN : amide:sc= -3.08! C(o=-9.5!,f=-9.5!) USER MOD Set 1.4: A 56 ASN : amide:sc= -0.021 K(o=-9.5,f=-13) USER MOD Set 2.1: A 5 SER OG : rot -135:sc= -0.353 USER MOD Set 2.2: A 29 GLN : amide:sc= -4.76! C(o=-3.9!,f=-2.4!) USER MOD Set 2.3: A 63 SER OG : rot -172:sc= 1.24 USER MOD Set 3.1: A -8 SER OG : rot 180:sc= 0.067 USER MOD Set 3.2: A -9 HIS : no HD1:sc= -2.44! K(o=-2.4!,f=0.35) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 142:sc= 0.0264 (180deg=-0.00651) USER MOD Single : A 9 ASN : amide:sc= -0.562 X(o=-0.56,f=-0.47) USER MOD Single : A -5 HIS : no HD1:sc= -0.0485 X(o=-0.048,f=0) USER MOD Single : A -7 SER OG : rot 180:sc= 0 USER MOD Single : A -9 HIS N :NH3+ -135:sc= 0.108 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -2.85! C(o=-2.8!,f=-3.7!) USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00664) USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= -0.643 (180deg=-1.08!) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0227) USER MOD Single : A 43 HIS : no HD1:sc= -6.3! C(o=-6.3!,f=-10!) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= -0.0434 (180deg=-0.284) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0912 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.653 USER MOD Single : A 55 ASN : amide:sc= -2.76! C(o=-2.8!,f=-9.4!) USER MOD Single : A 62 SER OG : rot 3:sc= 0.608 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 72 GLN : amide:sc= 0.981 K(o=0.98,f=-0.05) USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= -0.0383 (180deg=-0.232) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -9 11.512 15.790 -17.541 1.00 10.50 N ATOM 2 CA HIS A -9 12.472 15.382 -18.595 1.00 10.47 C ATOM 3 C HIS A -9 12.615 13.859 -18.570 1.00 9.92 C ATOM 4 O HIS A -9 11.720 13.161 -18.090 1.00 9.95 O ATOM 5 CB HIS A -9 13.828 16.061 -18.339 1.00 10.88 C ATOM 6 CG HIS A -9 14.576 16.462 -19.582 1.00 11.33 C ATOM 7 ND1 HIS A -9 14.935 17.764 -19.853 1.00 11.58 N ATOM 8 CD2 HIS A -9 15.058 15.724 -20.607 1.00 11.79 C ATOM 9 CE1 HIS A -9 15.602 17.807 -20.991 1.00 12.14 C ATOM 10 NE2 HIS A -9 15.689 16.583 -21.467 1.00 12.26 N ATOM 0 H1 HIS A -9 10.850 16.493 -17.927 1.00 10.50 H new ATOM 0 H2 HIS A -9 10.981 14.958 -17.214 1.00 10.50 H new ATOM 0 H3 HIS A -9 12.031 16.206 -16.741 1.00 10.50 H new ATOM 0 HA HIS A -9 12.112 15.688 -19.577 1.00 10.47 H new ATOM 0 HB2 HIS A -9 13.665 16.948 -17.728 1.00 10.88 H new ATOM 0 HB3 HIS A -9 14.454 15.384 -17.757 1.00 10.88 H new ATOM 0 HD2 HIS A -9 14.963 14.655 -20.726 1.00 11.79 H new ATOM 0 HE1 HIS A -9 16.007 18.695 -21.453 1.00 12.14 H new ATOM 0 HE2 HIS A -9 16.152 16.317 -22.336 1.00 12.26 H new ATOM 19 N SER A -8 13.726 13.349 -19.088 1.00 9.64 N ATOM 20 CA SER A -8 13.980 11.917 -19.127 1.00 9.30 C ATOM 21 C SER A -8 14.023 11.322 -17.721 1.00 8.71 C ATOM 22 O SER A -8 13.122 10.582 -17.319 1.00 8.43 O ATOM 23 CB SER A -8 15.294 11.672 -19.867 1.00 9.57 C ATOM 24 OG SER A -8 16.229 12.701 -19.570 1.00 9.77 O ATOM 0 H SER A -8 14.473 13.915 -19.491 1.00 9.64 H new ATOM 0 HA SER A -8 13.166 11.421 -19.655 1.00 9.30 H new ATOM 0 HB2 SER A -8 15.705 10.704 -19.580 1.00 9.57 H new ATOM 0 HB3 SER A -8 15.113 11.636 -20.941 1.00 9.57 H new ATOM 0 HG SER A -8 17.066 12.530 -20.050 1.00 9.77 H new ATOM 30 N SER A -7 15.062 11.657 -16.969 1.00 8.68 N ATOM 31 CA SER A -7 15.175 11.198 -15.597 1.00 8.25 C ATOM 32 C SER A -7 14.406 12.134 -14.673 1.00 7.71 C ATOM 33 O SER A -7 14.984 12.951 -13.955 1.00 7.67 O ATOM 34 CB SER A -7 16.642 11.095 -15.168 1.00 9.17 C ATOM 35 OG SER A -7 16.766 10.480 -13.894 1.00 9.57 O ATOM 0 H SER A -7 15.834 12.243 -17.286 1.00 8.68 H new ATOM 0 HA SER A -7 14.742 10.200 -15.529 1.00 8.25 H new ATOM 0 HB2 SER A -7 17.200 10.520 -15.907 1.00 9.17 H new ATOM 0 HB3 SER A -7 17.085 12.090 -15.138 1.00 9.17 H new ATOM 0 HG SER A -7 17.713 10.427 -13.647 1.00 9.57 H new ATOM 41 N GLY A -6 13.092 12.049 -14.756 1.00 7.61 N ATOM 42 CA GLY A -6 12.236 12.735 -13.819 1.00 7.37 C ATOM 43 C GLY A -6 11.597 11.741 -12.891 1.00 6.38 C ATOM 44 O GLY A -6 10.421 11.848 -12.548 1.00 6.33 O ATOM 0 H GLY A -6 12.597 11.509 -15.466 1.00 7.61 H new ATOM 0 HA2 GLY A -6 12.815 13.460 -13.247 1.00 7.37 H new ATOM 0 HA3 GLY A -6 11.468 13.292 -14.355 1.00 7.37 H new ATOM 48 N HIS A -5 12.391 10.761 -12.493 1.00 5.88 N ATOM 49 CA HIS A -5 11.897 9.631 -11.740 1.00 5.12 C ATOM 50 C HIS A -5 11.785 9.988 -10.266 1.00 4.42 C ATOM 51 O HIS A -5 12.783 10.075 -9.553 1.00 4.55 O ATOM 52 CB HIS A -5 12.824 8.428 -11.960 1.00 5.41 C ATOM 53 CG HIS A -5 12.374 7.168 -11.306 1.00 5.17 C ATOM 54 ND1 HIS A -5 13.235 6.225 -10.790 1.00 5.51 N ATOM 55 CD2 HIS A -5 11.138 6.687 -11.125 1.00 5.06 C ATOM 56 CE1 HIS A -5 12.536 5.213 -10.315 1.00 5.66 C ATOM 57 NE2 HIS A -5 11.257 5.470 -10.505 1.00 5.36 N ATOM 0 H HIS A -5 13.392 10.730 -12.684 1.00 5.88 H new ATOM 0 HA HIS A -5 10.899 9.365 -12.089 1.00 5.12 H new ATOM 0 HB2 HIS A -5 12.919 8.251 -13.031 1.00 5.41 H new ATOM 0 HB3 HIS A -5 13.817 8.679 -11.589 1.00 5.41 H new ATOM 0 HD2 HIS A -5 10.216 7.169 -11.414 1.00 5.06 H new ATOM 0 HE1 HIS A -5 12.941 4.326 -9.850 1.00 5.66 H new ATOM 0 HE2 HIS A -5 10.483 4.863 -10.235 1.00 5.36 H new ATOM 66 N ILE A -4 10.559 10.204 -9.822 1.00 4.01 N ATOM 67 CA ILE A -4 10.304 10.568 -8.441 1.00 3.41 C ATOM 68 C ILE A -4 10.206 9.315 -7.572 1.00 2.79 C ATOM 69 O ILE A -4 9.244 8.549 -7.649 1.00 3.10 O ATOM 70 CB ILE A -4 9.023 11.438 -8.311 1.00 3.87 C ATOM 71 CG1 ILE A -4 8.732 11.769 -6.844 1.00 3.82 C ATOM 72 CG2 ILE A -4 7.822 10.762 -8.962 1.00 4.31 C ATOM 73 CD1 ILE A -4 9.811 12.605 -6.186 1.00 4.25 C ATOM 0 H ILE A -4 9.722 10.133 -10.401 1.00 4.01 H new ATOM 0 HA ILE A -4 11.142 11.169 -8.089 1.00 3.41 H new ATOM 0 HB ILE A -4 9.205 12.373 -8.842 1.00 3.87 H new ATOM 0 HG12 ILE A -4 7.783 12.301 -6.782 1.00 3.82 H new ATOM 0 HG13 ILE A -4 8.614 10.840 -6.287 1.00 3.82 H new ATOM 0 HG21 ILE A -4 6.943 11.398 -8.853 1.00 4.31 H new ATOM 0 HG22 ILE A -4 8.024 10.602 -10.021 1.00 4.31 H new ATOM 0 HG23 ILE A -4 7.638 9.803 -8.478 1.00 4.31 H new ATOM 0 HD11 ILE A -4 9.538 12.801 -5.149 1.00 4.25 H new ATOM 0 HD12 ILE A -4 10.758 12.066 -6.216 1.00 4.25 H new ATOM 0 HD13 ILE A -4 9.914 13.550 -6.719 1.00 4.25 H new ATOM 85 N GLU A -3 11.228 9.093 -6.764 1.00 2.65 N ATOM 86 CA GLU A -3 11.265 7.933 -5.892 1.00 2.74 C ATOM 87 C GLU A -3 10.877 8.326 -4.474 1.00 2.04 C ATOM 88 O GLU A -3 11.090 7.575 -3.520 1.00 2.60 O ATOM 89 CB GLU A -3 12.649 7.285 -5.921 1.00 3.81 C ATOM 90 CG GLU A -3 13.044 6.787 -7.301 1.00 4.47 C ATOM 91 CD GLU A -3 14.382 6.081 -7.312 1.00 5.44 C ATOM 92 OE1 GLU A -3 14.482 4.987 -6.723 1.00 5.87 O ATOM 93 OE2 GLU A -3 15.345 6.632 -7.888 1.00 6.04 O ATOM 0 H GLU A -3 12.044 9.701 -6.694 1.00 2.65 H new ATOM 0 HA GLU A -3 10.543 7.201 -6.253 1.00 2.74 H new ATOM 0 HB2 GLU A -3 13.389 8.007 -5.576 1.00 3.81 H new ATOM 0 HB3 GLU A -3 12.668 6.450 -5.221 1.00 3.81 H new ATOM 0 HG2 GLU A -3 12.277 6.106 -7.669 1.00 4.47 H new ATOM 0 HG3 GLU A -3 13.079 7.631 -7.990 1.00 4.47 H new ATOM 100 N GLY A -2 10.290 9.507 -4.353 1.00 1.45 N ATOM 101 CA GLY A -2 9.766 9.959 -3.077 1.00 1.14 C ATOM 102 C GLY A -2 8.325 9.537 -2.897 1.00 1.05 C ATOM 103 O GLY A -2 7.638 9.964 -1.970 1.00 1.37 O ATOM 0 H GLY A -2 10.166 10.166 -5.121 1.00 1.45 H new ATOM 0 HA2 GLY A -2 10.371 9.551 -2.267 1.00 1.14 H new ATOM 0 HA3 GLY A -2 9.840 11.045 -3.014 1.00 1.14 H new ATOM 107 N ARG A -1 7.879 8.689 -3.808 1.00 0.82 N ATOM 108 CA ARG A -1 6.530 8.150 -3.786 1.00 0.69 C ATOM 109 C ARG A -1 6.525 6.849 -2.993 1.00 0.61 C ATOM 110 O ARG A -1 7.586 6.308 -2.678 1.00 0.73 O ATOM 111 CB ARG A -1 6.045 7.888 -5.213 1.00 0.76 C ATOM 112 CG ARG A -1 6.643 6.632 -5.821 1.00 0.86 C ATOM 113 CD ARG A -1 6.506 6.613 -7.335 1.00 1.44 C ATOM 114 NE ARG A -1 5.117 6.517 -7.767 1.00 1.94 N ATOM 115 CZ ARG A -1 4.705 6.791 -9.006 1.00 2.72 C ATOM 116 NH1 ARG A -1 5.567 7.211 -9.925 1.00 3.04 N ATOM 117 NH2 ARG A -1 3.429 6.642 -9.326 1.00 3.51 N ATOM 0 H ARG A -1 8.445 8.354 -4.587 1.00 0.82 H new ATOM 0 HA ARG A -1 5.861 8.870 -3.315 1.00 0.69 H new ATOM 0 HB2 ARG A -1 4.958 7.803 -5.212 1.00 0.76 H new ATOM 0 HB3 ARG A -1 6.297 8.744 -5.839 1.00 0.76 H new ATOM 0 HG2 ARG A -1 7.697 6.565 -5.551 1.00 0.86 H new ATOM 0 HG3 ARG A -1 6.150 5.755 -5.401 1.00 0.86 H new ATOM 0 HD2 ARG A -1 6.950 7.518 -7.749 1.00 1.44 H new ATOM 0 HD3 ARG A -1 7.068 5.770 -7.737 1.00 1.44 H new ATOM 0 HE ARG A -1 4.420 6.223 -7.083 1.00 1.94 H new ATOM 0 HH11 ARG A -1 6.552 7.326 -9.686 1.00 3.04 H new ATOM 0 HH12 ARG A -1 5.244 7.418 -10.870 1.00 3.04 H new ATOM 0 HH21 ARG A -1 2.762 6.318 -8.626 1.00 3.51 H new ATOM 0 HH22 ARG A -1 3.113 6.851 -10.273 1.00 3.51 H new ATOM 131 N HIS A 0 5.350 6.358 -2.653 1.00 0.50 N ATOM 132 CA HIS A 0 5.255 5.104 -1.930 1.00 0.53 C ATOM 133 C HIS A 0 4.142 4.226 -2.490 1.00 0.44 C ATOM 134 O HIS A 0 2.998 4.661 -2.630 1.00 0.41 O ATOM 135 CB HIS A 0 5.067 5.349 -0.424 1.00 0.61 C ATOM 136 CG HIS A 0 3.925 6.255 -0.069 1.00 0.57 C ATOM 137 ND1 HIS A 0 4.094 7.458 0.574 1.00 0.79 N ATOM 138 CD2 HIS A 0 2.595 6.110 -0.242 1.00 0.51 C ATOM 139 CE1 HIS A 0 2.915 8.014 0.787 1.00 0.85 C ATOM 140 NE2 HIS A 0 1.982 7.216 0.301 1.00 0.66 N ATOM 0 H HIS A 0 4.456 6.802 -2.863 1.00 0.50 H new ATOM 0 HA HIS A 0 6.195 4.569 -2.066 1.00 0.53 H new ATOM 0 HB2 HIS A 0 4.917 4.389 0.070 1.00 0.61 H new ATOM 0 HB3 HIS A 0 5.987 5.774 -0.022 1.00 0.61 H new ATOM 0 HD2 HIS A 0 2.101 5.277 -0.720 1.00 0.51 H new ATOM 0 HE1 HIS A 0 2.743 8.961 1.276 1.00 0.85 H new ATOM 0 HE2 HIS A 0 0.977 7.390 0.324 1.00 0.66 H new ATOM 149 N MET A 1 4.497 3.003 -2.849 1.00 0.50 N ATOM 150 CA MET A 1 3.523 2.021 -3.293 1.00 0.47 C ATOM 151 C MET A 1 3.516 0.837 -2.338 1.00 0.43 C ATOM 152 O MET A 1 4.511 0.122 -2.214 1.00 0.51 O ATOM 153 CB MET A 1 3.829 1.556 -4.719 1.00 0.56 C ATOM 154 CG MET A 1 2.920 0.438 -5.198 1.00 0.56 C ATOM 155 SD MET A 1 3.386 -0.199 -6.818 1.00 0.67 S ATOM 156 CE MET A 1 2.177 -1.505 -7.029 1.00 1.75 C ATOM 0 H MET A 1 5.460 2.666 -2.841 1.00 0.50 H new ATOM 0 HA MET A 1 2.536 2.484 -3.295 1.00 0.47 H new ATOM 0 HB2 MET A 1 3.737 2.404 -5.397 1.00 0.56 H new ATOM 0 HB3 MET A 1 4.864 1.219 -4.769 1.00 0.56 H new ATOM 0 HG2 MET A 1 2.941 -0.376 -4.473 1.00 0.56 H new ATOM 0 HG3 MET A 1 1.894 0.803 -5.238 1.00 0.56 H new ATOM 0 HE1 MET A 1 2.336 -1.996 -7.989 1.00 1.75 H new ATOM 0 HE2 MET A 1 2.285 -2.234 -6.226 1.00 1.75 H new ATOM 0 HE3 MET A 1 1.174 -1.080 -7.000 1.00 1.75 H new ATOM 166 N LEU A 2 2.402 0.640 -1.656 1.00 0.34 N ATOM 167 CA LEU A 2 2.286 -0.432 -0.680 1.00 0.32 C ATOM 168 C LEU A 2 1.353 -1.509 -1.227 1.00 0.30 C ATOM 169 O LEU A 2 0.227 -1.213 -1.633 1.00 0.33 O ATOM 170 CB LEU A 2 1.771 0.137 0.654 1.00 0.33 C ATOM 171 CG LEU A 2 2.073 -0.701 1.918 1.00 0.38 C ATOM 172 CD1 LEU A 2 1.253 -1.980 1.955 1.00 0.36 C ATOM 173 CD2 LEU A 2 3.556 -1.030 2.020 1.00 0.50 C ATOM 0 H LEU A 2 1.562 1.209 -1.759 1.00 0.34 H new ATOM 0 HA LEU A 2 3.261 -0.884 -0.497 1.00 0.32 H new ATOM 0 HB2 LEU A 2 2.200 1.130 0.791 1.00 0.33 H new ATOM 0 HB3 LEU A 2 0.691 0.264 0.578 1.00 0.33 H new ATOM 0 HG LEU A 2 1.790 -0.091 2.776 1.00 0.38 H new ATOM 0 HD11 LEU A 2 1.494 -2.541 2.858 1.00 0.36 H new ATOM 0 HD12 LEU A 2 0.192 -1.732 1.954 1.00 0.36 H new ATOM 0 HD13 LEU A 2 1.484 -2.586 1.079 1.00 0.36 H new ATOM 0 HD21 LEU A 2 3.737 -1.620 2.919 1.00 0.50 H new ATOM 0 HD22 LEU A 2 3.863 -1.601 1.144 1.00 0.50 H new ATOM 0 HD23 LEU A 2 4.131 -0.105 2.071 1.00 0.50 H new ATOM 185 N VAL A 3 1.833 -2.745 -1.256 1.00 0.42 N ATOM 186 CA VAL A 3 1.084 -3.850 -1.813 1.00 0.40 C ATOM 187 C VAL A 3 0.413 -4.688 -0.725 1.00 0.40 C ATOM 188 O VAL A 3 1.047 -5.105 0.247 1.00 0.52 O ATOM 189 CB VAL A 3 1.992 -4.749 -2.676 1.00 0.54 C ATOM 190 CG1 VAL A 3 2.119 -4.185 -4.083 1.00 1.03 C ATOM 191 CG2 VAL A 3 3.369 -4.906 -2.044 1.00 1.53 C ATOM 0 H VAL A 3 2.751 -3.004 -0.894 1.00 0.42 H new ATOM 0 HA VAL A 3 0.303 -3.421 -2.441 1.00 0.40 H new ATOM 0 HB VAL A 3 1.530 -5.735 -2.734 1.00 0.54 H new ATOM 0 HG11 VAL A 3 2.763 -4.832 -4.678 1.00 1.03 H new ATOM 0 HG12 VAL A 3 1.133 -4.132 -4.544 1.00 1.03 H new ATOM 0 HG13 VAL A 3 2.552 -3.186 -4.037 1.00 1.03 H new ATOM 0 HG21 VAL A 3 3.988 -5.545 -2.674 1.00 1.53 H new ATOM 0 HG22 VAL A 3 3.839 -3.927 -1.947 1.00 1.53 H new ATOM 0 HG23 VAL A 3 3.267 -5.359 -1.058 1.00 1.53 H new ATOM 201 N LEU A 4 -0.873 -4.927 -0.914 1.00 0.34 N ATOM 202 CA LEU A 4 -1.666 -5.755 -0.021 1.00 0.41 C ATOM 203 C LEU A 4 -2.052 -7.042 -0.733 1.00 0.36 C ATOM 204 O LEU A 4 -2.525 -7.011 -1.866 1.00 0.32 O ATOM 205 CB LEU A 4 -2.939 -5.018 0.415 1.00 0.49 C ATOM 206 CG LEU A 4 -2.806 -4.078 1.623 1.00 0.96 C ATOM 207 CD1 LEU A 4 -4.182 -3.663 2.117 1.00 1.85 C ATOM 208 CD2 LEU A 4 -2.015 -4.735 2.746 1.00 1.66 C ATOM 0 H LEU A 4 -1.402 -4.548 -1.700 1.00 0.34 H new ATOM 0 HA LEU A 4 -1.070 -5.981 0.863 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -3.304 -4.436 -0.432 1.00 0.49 H new ATOM 0 HB3 LEU A 4 -3.703 -5.761 0.643 1.00 0.49 H new ATOM 0 HG LEU A 4 -2.261 -3.190 1.304 1.00 0.96 H new ATOM 0 HD11 LEU A 4 -4.076 -2.997 2.973 1.00 1.85 H new ATOM 0 HD12 LEU A 4 -4.714 -3.146 1.319 1.00 1.85 H new ATOM 0 HD13 LEU A 4 -4.744 -4.548 2.414 1.00 1.85 H new ATOM 0 HD21 LEU A 4 -1.937 -4.046 3.587 1.00 1.66 H new ATOM 0 HD22 LEU A 4 -2.525 -5.644 3.067 1.00 1.66 H new ATOM 0 HD23 LEU A 4 -1.016 -4.986 2.389 1.00 1.66 H new ATOM 220 N SER A 5 -1.884 -8.166 -0.068 1.00 0.42 N ATOM 221 CA SER A 5 -2.152 -9.447 -0.692 1.00 0.43 C ATOM 222 C SER A 5 -3.623 -9.808 -0.543 1.00 0.43 C ATOM 223 O SER A 5 -4.099 -10.141 0.541 1.00 0.55 O ATOM 224 CB SER A 5 -1.256 -10.526 -0.089 1.00 0.55 C ATOM 225 OG SER A 5 0.112 -10.217 -0.294 1.00 1.19 O ATOM 0 H SER A 5 -1.565 -8.220 0.899 1.00 0.42 H new ATOM 0 HA SER A 5 -1.927 -9.377 -1.756 1.00 0.43 H new ATOM 0 HB2 SER A 5 -1.457 -10.617 0.978 1.00 0.55 H new ATOM 0 HB3 SER A 5 -1.487 -11.491 -0.540 1.00 0.55 H new ATOM 0 HG SER A 5 0.588 -11.020 -0.592 1.00 1.19 H new ATOM 231 N ARG A 6 -4.333 -9.735 -1.661 1.00 0.37 N ATOM 232 CA ARG A 6 -5.767 -9.948 -1.692 1.00 0.42 C ATOM 233 C ARG A 6 -6.107 -10.651 -2.992 1.00 0.38 C ATOM 234 O ARG A 6 -5.921 -10.097 -4.073 1.00 0.37 O ATOM 235 CB ARG A 6 -6.492 -8.598 -1.597 1.00 0.50 C ATOM 236 CG ARG A 6 -8.011 -8.682 -1.663 1.00 0.96 C ATOM 237 CD ARG A 6 -8.603 -9.353 -0.434 1.00 1.31 C ATOM 238 NE ARG A 6 -8.265 -8.653 0.805 1.00 1.92 N ATOM 239 CZ ARG A 6 -9.132 -7.935 1.520 1.00 2.57 C ATOM 240 NH1 ARG A 6 -10.353 -7.699 1.059 1.00 2.77 N ATOM 241 NH2 ARG A 6 -8.760 -7.421 2.685 1.00 3.50 N ATOM 0 H ARG A 6 -3.926 -9.526 -2.573 1.00 0.37 H new ATOM 0 HA ARG A 6 -6.086 -10.561 -0.849 1.00 0.42 H new ATOM 0 HB2 ARG A 6 -6.209 -8.115 -0.662 1.00 0.50 H new ATOM 0 HB3 ARG A 6 -6.142 -7.956 -2.406 1.00 0.50 H new ATOM 0 HG2 ARG A 6 -8.425 -7.678 -1.762 1.00 0.96 H new ATOM 0 HG3 ARG A 6 -8.304 -9.237 -2.554 1.00 0.96 H new ATOM 0 HD2 ARG A 6 -9.687 -9.400 -0.537 1.00 1.31 H new ATOM 0 HD3 ARG A 6 -8.244 -10.380 -0.377 1.00 1.31 H new ATOM 0 HE ARG A 6 -7.305 -8.718 1.144 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -10.635 -8.068 0.151 1.00 2.77 H new ATOM 0 HH12 ARG A 6 -11.010 -7.149 1.613 1.00 2.77 H new ATOM 0 HH21 ARG A 6 -7.813 -7.575 3.032 1.00 3.50 H new ATOM 0 HH22 ARG A 6 -9.421 -6.871 3.234 1.00 3.50 H new ATOM 255 N LYS A 7 -6.645 -11.849 -2.891 1.00 0.40 N ATOM 256 CA LYS A 7 -6.710 -12.735 -4.044 1.00 0.42 C ATOM 257 C LYS A 7 -8.090 -12.711 -4.668 1.00 0.45 C ATOM 258 O LYS A 7 -8.466 -13.600 -5.425 1.00 0.61 O ATOM 259 CB LYS A 7 -6.309 -14.158 -3.652 1.00 0.47 C ATOM 260 CG LYS A 7 -4.895 -14.248 -3.089 1.00 0.64 C ATOM 261 CD LYS A 7 -4.860 -13.969 -1.592 1.00 0.77 C ATOM 262 CE LYS A 7 -3.511 -13.425 -1.145 1.00 0.66 C ATOM 263 NZ LYS A 7 -3.414 -13.368 0.341 1.00 0.85 N ATOM 0 H LYS A 7 -7.041 -12.233 -2.033 1.00 0.40 H new ATOM 0 HA LYS A 7 -6.001 -12.376 -4.790 1.00 0.42 H new ATOM 0 HB2 LYS A 7 -7.013 -14.536 -2.911 1.00 0.47 H new ATOM 0 HB3 LYS A 7 -6.387 -14.805 -4.526 1.00 0.47 H new ATOM 0 HG2 LYS A 7 -4.490 -15.241 -3.283 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -4.252 -13.535 -3.606 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -5.642 -13.253 -1.338 1.00 0.77 H new ATOM 0 HD3 LYS A 7 -5.079 -14.887 -1.047 1.00 0.77 H new ATOM 0 HE2 LYS A 7 -2.714 -14.055 -1.539 1.00 0.66 H new ATOM 0 HE3 LYS A 7 -3.364 -12.428 -1.559 1.00 0.66 H new ATOM 0 HZ1 LYS A 7 -2.452 -13.630 0.636 1.00 0.85 H new ATOM 0 HZ2 LYS A 7 -3.625 -12.403 0.666 1.00 0.85 H new ATOM 0 HZ3 LYS A 7 -4.097 -14.031 0.759 1.00 0.85 H new ATOM 277 N ILE A 8 -8.820 -11.656 -4.367 1.00 0.47 N ATOM 278 CA ILE A 8 -10.160 -11.477 -4.887 1.00 0.53 C ATOM 279 C ILE A 8 -10.127 -10.539 -6.085 1.00 0.54 C ATOM 280 O ILE A 8 -11.143 -10.341 -6.756 1.00 0.66 O ATOM 281 CB ILE A 8 -11.093 -10.903 -3.800 1.00 0.62 C ATOM 282 CG1 ILE A 8 -10.790 -11.569 -2.451 1.00 0.66 C ATOM 283 CG2 ILE A 8 -12.556 -11.116 -4.180 1.00 0.72 C ATOM 284 CD1 ILE A 8 -11.666 -11.084 -1.315 1.00 1.17 C ATOM 0 H ILE A 8 -8.503 -10.902 -3.758 1.00 0.47 H new ATOM 0 HA ILE A 8 -10.545 -12.449 -5.197 1.00 0.53 H new ATOM 0 HB ILE A 8 -10.916 -9.831 -3.716 1.00 0.62 H new ATOM 0 HG12 ILE A 8 -10.911 -12.647 -2.554 1.00 0.66 H new ATOM 0 HG13 ILE A 8 -9.746 -11.388 -2.194 1.00 0.66 H new ATOM 0 HG21 ILE A 8 -13.198 -10.705 -3.401 1.00 0.72 H new ATOM 0 HG22 ILE A 8 -12.764 -10.613 -5.124 1.00 0.72 H new ATOM 0 HG23 ILE A 8 -12.753 -12.183 -4.286 1.00 0.72 H new ATOM 0 HD11 ILE A 8 -11.390 -11.602 -0.396 1.00 1.17 H new ATOM 0 HD12 ILE A 8 -11.528 -10.011 -1.182 1.00 1.17 H new ATOM 0 HD13 ILE A 8 -12.711 -11.290 -1.548 1.00 1.17 H new ATOM 296 N ASN A 9 -8.929 -9.992 -6.359 1.00 0.50 N ATOM 297 CA ASN A 9 -8.727 -8.971 -7.400 1.00 0.51 C ATOM 298 C ASN A 9 -9.863 -7.960 -7.385 1.00 0.56 C ATOM 299 O ASN A 9 -10.412 -7.580 -8.419 1.00 0.74 O ATOM 300 CB ASN A 9 -8.521 -9.586 -8.805 1.00 0.60 C ATOM 301 CG ASN A 9 -9.611 -10.550 -9.248 1.00 1.27 C ATOM 302 OD1 ASN A 9 -10.623 -10.145 -9.818 1.00 2.27 O ATOM 303 ND2 ASN A 9 -9.395 -11.839 -9.014 1.00 1.56 N ATOM 0 H ASN A 9 -8.074 -10.246 -5.864 1.00 0.50 H new ATOM 0 HA ASN A 9 -7.801 -8.446 -7.165 1.00 0.51 H new ATOM 0 HB2 ASN A 9 -8.453 -8.778 -9.533 1.00 0.60 H new ATOM 0 HB3 ASN A 9 -7.565 -10.110 -8.820 1.00 0.60 H new ATOM 0 HD21 ASN A 9 -10.081 -12.533 -9.310 1.00 1.56 H new ATOM 0 HD22 ASN A 9 -8.543 -12.135 -8.538 1.00 1.56 H new ATOM 310 N GLU A 10 -10.177 -7.512 -6.179 1.00 0.74 N ATOM 311 CA GLU A 10 -11.239 -6.558 -5.959 1.00 0.81 C ATOM 312 C GLU A 10 -10.694 -5.155 -6.134 1.00 0.77 C ATOM 313 O GLU A 10 -9.489 -4.972 -6.306 1.00 1.04 O ATOM 314 CB GLU A 10 -11.821 -6.730 -4.553 1.00 0.87 C ATOM 315 CG GLU A 10 -10.769 -6.662 -3.452 1.00 0.82 C ATOM 316 CD GLU A 10 -11.361 -6.776 -2.062 1.00 0.95 C ATOM 317 OE1 GLU A 10 -11.862 -5.762 -1.536 1.00 1.12 O ATOM 318 OE2 GLU A 10 -11.330 -7.885 -1.485 1.00 1.11 O ATOM 0 H GLU A 10 -9.698 -7.804 -5.327 1.00 0.74 H new ATOM 0 HA GLU A 10 -12.035 -6.729 -6.683 1.00 0.81 H new ATOM 0 HB2 GLU A 10 -12.569 -5.956 -4.380 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -12.336 -7.689 -4.495 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -10.044 -7.463 -3.599 1.00 0.82 H new ATOM 0 HG3 GLU A 10 -10.225 -5.721 -3.534 1.00 0.82 H new ATOM 325 N ALA A 11 -11.571 -4.178 -6.082 1.00 0.53 N ATOM 326 CA ALA A 11 -11.161 -2.797 -6.207 1.00 0.46 C ATOM 327 C ALA A 11 -11.326 -2.096 -4.877 1.00 0.38 C ATOM 328 O ALA A 11 -12.322 -2.301 -4.178 1.00 0.41 O ATOM 329 CB ALA A 11 -11.971 -2.091 -7.283 1.00 0.56 C ATOM 0 H ALA A 11 -12.574 -4.314 -5.954 1.00 0.53 H new ATOM 0 HA ALA A 11 -10.112 -2.766 -6.500 1.00 0.46 H new ATOM 0 HB1 ALA A 11 -11.647 -1.053 -7.361 1.00 0.56 H new ATOM 0 HB2 ALA A 11 -11.819 -2.591 -8.240 1.00 0.56 H new ATOM 0 HB3 ALA A 11 -13.029 -2.122 -7.021 1.00 0.56 H new ATOM 335 N ILE A 12 -10.367 -1.260 -4.527 1.00 0.34 N ATOM 336 CA ILE A 12 -10.360 -0.650 -3.217 1.00 0.32 C ATOM 337 C ILE A 12 -10.753 0.817 -3.304 1.00 0.28 C ATOM 338 O ILE A 12 -10.024 1.644 -3.848 1.00 0.33 O ATOM 339 CB ILE A 12 -8.975 -0.784 -2.547 1.00 0.39 C ATOM 340 CG1 ILE A 12 -8.512 -2.244 -2.569 1.00 0.42 C ATOM 341 CG2 ILE A 12 -9.018 -0.270 -1.117 1.00 0.46 C ATOM 342 CD1 ILE A 12 -9.434 -3.195 -1.836 1.00 0.98 C ATOM 0 H ILE A 12 -9.589 -0.991 -5.129 1.00 0.34 H new ATOM 0 HA ILE A 12 -11.092 -1.176 -2.605 1.00 0.32 H new ATOM 0 HB ILE A 12 -8.263 -0.180 -3.110 1.00 0.39 H new ATOM 0 HG12 ILE A 12 -8.421 -2.570 -3.605 1.00 0.42 H new ATOM 0 HG13 ILE A 12 -7.518 -2.306 -2.127 1.00 0.42 H new ATOM 0 HG21 ILE A 12 -8.032 -0.374 -0.663 1.00 0.46 H new ATOM 0 HG22 ILE A 12 -9.309 0.780 -1.117 1.00 0.46 H new ATOM 0 HG23 ILE A 12 -9.743 -0.848 -0.544 1.00 0.46 H new ATOM 0 HD11 ILE A 12 -9.036 -4.208 -1.898 1.00 0.98 H new ATOM 0 HD12 ILE A 12 -9.507 -2.897 -0.790 1.00 0.98 H new ATOM 0 HD13 ILE A 12 -10.424 -3.166 -2.291 1.00 0.98 H new ATOM 354 N GLN A 13 -11.930 1.104 -2.782 1.00 0.25 N ATOM 355 CA GLN A 13 -12.463 2.455 -2.713 1.00 0.26 C ATOM 356 C GLN A 13 -12.709 2.795 -1.260 1.00 0.25 C ATOM 357 O GLN A 13 -13.707 2.374 -0.672 1.00 0.30 O ATOM 358 CB GLN A 13 -13.771 2.544 -3.514 1.00 0.33 C ATOM 359 CG GLN A 13 -14.569 3.824 -3.293 1.00 0.40 C ATOM 360 CD GLN A 13 -13.949 5.034 -3.958 1.00 0.81 C ATOM 361 OE1 GLN A 13 -14.246 5.333 -5.115 1.00 1.62 O ATOM 362 NE2 GLN A 13 -13.093 5.739 -3.239 1.00 0.91 N ATOM 0 H GLN A 13 -12.552 0.398 -2.388 1.00 0.25 H new ATOM 0 HA GLN A 13 -11.754 3.163 -3.142 1.00 0.26 H new ATOM 0 HB2 GLN A 13 -13.538 2.456 -4.575 1.00 0.33 H new ATOM 0 HB3 GLN A 13 -14.399 1.692 -3.254 1.00 0.33 H new ATOM 0 HG2 GLN A 13 -15.580 3.685 -3.676 1.00 0.40 H new ATOM 0 HG3 GLN A 13 -14.656 4.010 -2.223 1.00 0.40 H new ATOM 0 HE21 GLN A 13 -12.875 5.456 -2.284 1.00 0.91 H new ATOM 0 HE22 GLN A 13 -12.650 6.566 -3.639 1.00 0.91 H new ATOM 371 N ILE A 14 -11.783 3.525 -0.670 1.00 0.25 N ATOM 372 CA ILE A 14 -11.873 3.843 0.738 1.00 0.26 C ATOM 373 C ILE A 14 -12.008 5.338 0.969 1.00 0.29 C ATOM 374 O ILE A 14 -11.128 6.140 0.596 1.00 0.30 O ATOM 375 CB ILE A 14 -10.691 3.283 1.558 1.00 0.26 C ATOM 376 CG1 ILE A 14 -9.338 3.742 0.999 1.00 0.28 C ATOM 377 CG2 ILE A 14 -10.766 1.762 1.618 1.00 0.29 C ATOM 378 CD1 ILE A 14 -8.823 2.930 -0.172 1.00 0.31 C ATOM 0 H ILE A 14 -10.964 3.907 -1.143 1.00 0.25 H new ATOM 0 HA ILE A 14 -12.778 3.351 1.094 1.00 0.26 H new ATOM 0 HB ILE A 14 -10.770 3.680 2.570 1.00 0.26 H new ATOM 0 HG12 ILE A 14 -9.423 4.784 0.690 1.00 0.28 H new ATOM 0 HG13 ILE A 14 -8.599 3.706 1.800 1.00 0.28 H new ATOM 0 HG21 ILE A 14 -9.927 1.379 2.199 1.00 0.29 H new ATOM 0 HG22 ILE A 14 -11.701 1.462 2.090 1.00 0.29 H new ATOM 0 HG23 ILE A 14 -10.723 1.355 0.608 1.00 0.29 H new ATOM 0 HD11 ILE A 14 -7.862 3.330 -0.497 1.00 0.31 H new ATOM 0 HD12 ILE A 14 -8.699 1.891 0.132 1.00 0.31 H new ATOM 0 HD13 ILE A 14 -9.536 2.985 -0.995 1.00 0.31 H new ATOM 390 N GLY A 15 -13.152 5.704 1.532 1.00 0.33 N ATOM 391 CA GLY A 15 -13.383 7.048 1.988 1.00 0.39 C ATOM 392 C GLY A 15 -13.733 7.975 0.855 1.00 0.59 C ATOM 393 O GLY A 15 -14.881 8.401 0.730 1.00 1.36 O ATOM 0 H GLY A 15 -13.938 5.071 1.680 1.00 0.33 H new ATOM 0 HA2 GLY A 15 -14.191 7.049 2.720 1.00 0.39 H new ATOM 0 HA3 GLY A 15 -12.492 7.417 2.496 1.00 0.39 H new ATOM 397 N ALA A 16 -12.744 8.212 -0.001 1.00 0.46 N ATOM 398 CA ALA A 16 -12.818 9.190 -1.085 1.00 0.51 C ATOM 399 C ALA A 16 -11.414 9.592 -1.518 1.00 0.49 C ATOM 400 O ALA A 16 -11.226 10.166 -2.586 1.00 0.71 O ATOM 401 CB ALA A 16 -13.581 10.447 -0.676 1.00 0.71 C ATOM 0 H ALA A 16 -11.851 7.721 0.039 1.00 0.46 H new ATOM 0 HA ALA A 16 -13.354 8.716 -1.907 1.00 0.51 H new ATOM 0 HB1 ALA A 16 -13.610 11.144 -1.514 1.00 0.71 H new ATOM 0 HB2 ALA A 16 -14.599 10.179 -0.392 1.00 0.71 H new ATOM 0 HB3 ALA A 16 -13.080 10.917 0.170 1.00 0.71 H new ATOM 407 N ASP A 17 -10.431 9.301 -0.670 1.00 0.45 N ATOM 408 CA ASP A 17 -9.062 9.732 -0.918 1.00 0.47 C ATOM 409 C ASP A 17 -8.347 8.748 -1.823 1.00 0.40 C ATOM 410 O ASP A 17 -7.521 9.144 -2.648 1.00 0.45 O ATOM 411 CB ASP A 17 -8.287 9.898 0.398 1.00 0.53 C ATOM 412 CG ASP A 17 -6.892 10.460 0.180 1.00 1.10 C ATOM 413 OD1 ASP A 17 -6.759 11.672 -0.087 1.00 1.04 O ATOM 414 OD2 ASP A 17 -5.914 9.685 0.279 1.00 1.80 O ATOM 0 H ASP A 17 -10.558 8.770 0.192 1.00 0.45 H new ATOM 0 HA ASP A 17 -9.104 10.701 -1.416 1.00 0.47 H new ATOM 0 HB2 ASP A 17 -8.843 10.559 1.063 1.00 0.53 H new ATOM 0 HB3 ASP A 17 -8.213 8.932 0.898 1.00 0.53 H new ATOM 419 N ILE A 18 -8.674 7.465 -1.685 1.00 0.35 N ATOM 420 CA ILE A 18 -8.029 6.441 -2.496 1.00 0.35 C ATOM 421 C ILE A 18 -9.047 5.464 -3.074 1.00 0.31 C ATOM 422 O ILE A 18 -9.850 4.868 -2.349 1.00 0.30 O ATOM 423 CB ILE A 18 -6.952 5.659 -1.698 1.00 0.41 C ATOM 424 CG1 ILE A 18 -5.768 6.574 -1.345 1.00 0.54 C ATOM 425 CG2 ILE A 18 -6.463 4.447 -2.486 1.00 0.41 C ATOM 426 CD1 ILE A 18 -5.012 7.098 -2.552 1.00 0.61 C ATOM 0 H ILE A 18 -9.372 7.115 -1.028 1.00 0.35 H new ATOM 0 HA ILE A 18 -7.536 6.964 -3.315 1.00 0.35 H new ATOM 0 HB ILE A 18 -7.410 5.307 -0.773 1.00 0.41 H new ATOM 0 HG12 ILE A 18 -6.136 7.420 -0.764 1.00 0.54 H new ATOM 0 HG13 ILE A 18 -5.076 6.026 -0.706 1.00 0.54 H new ATOM 0 HG21 ILE A 18 -5.709 3.916 -1.905 1.00 0.41 H new ATOM 0 HG22 ILE A 18 -7.302 3.781 -2.687 1.00 0.41 H new ATOM 0 HG23 ILE A 18 -6.028 4.778 -3.429 1.00 0.41 H new ATOM 0 HD11 ILE A 18 -4.192 7.735 -2.220 1.00 0.61 H new ATOM 0 HD12 ILE A 18 -4.612 6.260 -3.123 1.00 0.61 H new ATOM 0 HD13 ILE A 18 -5.688 7.676 -3.182 1.00 0.61 H new ATOM 438 N GLU A 19 -9.031 5.350 -4.390 1.00 0.34 N ATOM 439 CA GLU A 19 -9.782 4.321 -5.096 1.00 0.35 C ATOM 440 C GLU A 19 -8.953 3.766 -6.251 1.00 0.36 C ATOM 441 O GLU A 19 -8.665 4.476 -7.216 1.00 0.44 O ATOM 442 CB GLU A 19 -11.132 4.845 -5.615 1.00 0.47 C ATOM 443 CG GLU A 19 -11.073 6.155 -6.389 1.00 1.35 C ATOM 444 CD GLU A 19 -10.851 7.359 -5.496 1.00 1.71 C ATOM 445 OE1 GLU A 19 -11.713 7.631 -4.633 1.00 2.27 O ATOM 446 OE2 GLU A 19 -9.817 8.041 -5.657 1.00 2.07 O ATOM 0 H GLU A 19 -8.497 5.967 -5.002 1.00 0.34 H new ATOM 0 HA GLU A 19 -9.994 3.523 -4.384 1.00 0.35 H new ATOM 0 HB2 GLU A 19 -11.575 4.084 -6.257 1.00 0.47 H new ATOM 0 HB3 GLU A 19 -11.802 4.975 -4.765 1.00 0.47 H new ATOM 0 HG2 GLU A 19 -10.270 6.101 -7.124 1.00 1.35 H new ATOM 0 HG3 GLU A 19 -12.003 6.286 -6.942 1.00 1.35 H new ATOM 453 N VAL A 20 -8.575 2.492 -6.152 1.00 0.36 N ATOM 454 CA VAL A 20 -7.716 1.865 -7.146 1.00 0.43 C ATOM 455 C VAL A 20 -7.389 0.429 -6.740 1.00 0.39 C ATOM 456 O VAL A 20 -7.395 0.089 -5.556 1.00 0.36 O ATOM 457 CB VAL A 20 -6.399 2.663 -7.340 1.00 0.52 C ATOM 458 CG1 VAL A 20 -5.525 2.600 -6.094 1.00 0.52 C ATOM 459 CG2 VAL A 20 -5.637 2.174 -8.561 1.00 0.67 C ATOM 0 H VAL A 20 -8.853 1.875 -5.389 1.00 0.36 H new ATOM 0 HA VAL A 20 -8.258 1.859 -8.091 1.00 0.43 H new ATOM 0 HB VAL A 20 -6.668 3.706 -7.506 1.00 0.52 H new ATOM 0 HG11 VAL A 20 -4.610 3.169 -6.262 1.00 0.52 H new ATOM 0 HG12 VAL A 20 -6.066 3.025 -5.248 1.00 0.52 H new ATOM 0 HG13 VAL A 20 -5.272 1.562 -5.879 1.00 0.52 H new ATOM 0 HG21 VAL A 20 -4.719 2.751 -8.672 1.00 0.67 H new ATOM 0 HG22 VAL A 20 -5.390 1.120 -8.438 1.00 0.67 H new ATOM 0 HG23 VAL A 20 -6.255 2.300 -9.450 1.00 0.67 H new ATOM 469 N LYS A 21 -7.174 -0.419 -7.729 1.00 0.44 N ATOM 470 CA LYS A 21 -6.644 -1.746 -7.505 1.00 0.44 C ATOM 471 C LYS A 21 -5.506 -2.003 -8.470 1.00 0.46 C ATOM 472 O LYS A 21 -5.713 -2.298 -9.644 1.00 0.57 O ATOM 473 CB LYS A 21 -7.743 -2.812 -7.620 1.00 0.55 C ATOM 474 CG LYS A 21 -8.808 -2.538 -8.680 1.00 1.51 C ATOM 475 CD LYS A 21 -8.457 -3.157 -10.026 1.00 2.23 C ATOM 476 CE LYS A 21 -9.630 -3.098 -10.990 1.00 3.01 C ATOM 477 NZ LYS A 21 -10.004 -1.703 -11.337 1.00 3.67 N ATOM 0 H LYS A 21 -7.363 -0.205 -8.708 1.00 0.44 H new ATOM 0 HA LYS A 21 -6.256 -1.809 -6.488 1.00 0.44 H new ATOM 0 HB2 LYS A 21 -7.274 -3.772 -7.839 1.00 0.55 H new ATOM 0 HB3 LYS A 21 -8.234 -2.910 -6.652 1.00 0.55 H new ATOM 0 HG2 LYS A 21 -9.766 -2.932 -8.340 1.00 1.51 H new ATOM 0 HG3 LYS A 21 -8.931 -1.461 -8.799 1.00 1.51 H new ATOM 0 HD2 LYS A 21 -7.604 -2.633 -10.457 1.00 2.23 H new ATOM 0 HD3 LYS A 21 -8.155 -4.194 -9.883 1.00 2.23 H new ATOM 0 HE2 LYS A 21 -9.377 -3.641 -11.900 1.00 3.01 H new ATOM 0 HE3 LYS A 21 -10.488 -3.602 -10.546 1.00 3.01 H new ATOM 0 HZ1 LYS A 21 -10.775 -1.714 -12.035 1.00 3.67 H new ATOM 0 HZ2 LYS A 21 -10.320 -1.205 -10.480 1.00 3.67 H new ATOM 0 HZ3 LYS A 21 -9.180 -1.212 -11.739 1.00 3.67 H new ATOM 491 N VAL A 22 -4.293 -1.845 -7.983 1.00 0.40 N ATOM 492 CA VAL A 22 -3.130 -2.170 -8.783 1.00 0.42 C ATOM 493 C VAL A 22 -2.706 -3.581 -8.455 1.00 0.38 C ATOM 494 O VAL A 22 -2.139 -3.840 -7.401 1.00 0.39 O ATOM 495 CB VAL A 22 -1.953 -1.204 -8.530 1.00 0.54 C ATOM 496 CG1 VAL A 22 -0.767 -1.553 -9.418 1.00 1.32 C ATOM 497 CG2 VAL A 22 -2.387 0.233 -8.760 1.00 0.82 C ATOM 0 H VAL A 22 -4.087 -1.497 -7.047 1.00 0.40 H new ATOM 0 HA VAL A 22 -3.401 -2.075 -9.834 1.00 0.42 H new ATOM 0 HB VAL A 22 -1.642 -1.309 -7.491 1.00 0.54 H new ATOM 0 HG11 VAL A 22 0.051 -0.859 -9.222 1.00 1.32 H new ATOM 0 HG12 VAL A 22 -0.439 -2.570 -9.204 1.00 1.32 H new ATOM 0 HG13 VAL A 22 -1.062 -1.480 -10.465 1.00 1.32 H new ATOM 0 HG21 VAL A 22 -1.545 0.901 -8.577 1.00 0.82 H new ATOM 0 HG22 VAL A 22 -2.727 0.350 -9.789 1.00 0.82 H new ATOM 0 HG23 VAL A 22 -3.201 0.481 -8.079 1.00 0.82 H new ATOM 507 N ILE A 23 -2.981 -4.488 -9.358 1.00 0.39 N ATOM 508 CA ILE A 23 -2.728 -5.887 -9.113 1.00 0.38 C ATOM 509 C ILE A 23 -1.326 -6.255 -9.571 1.00 0.41 C ATOM 510 O ILE A 23 -0.908 -5.914 -10.679 1.00 0.50 O ATOM 511 CB ILE A 23 -3.786 -6.760 -9.812 1.00 0.45 C ATOM 512 CG1 ILE A 23 -5.187 -6.345 -9.330 1.00 0.51 C ATOM 513 CG2 ILE A 23 -3.535 -8.237 -9.528 1.00 0.48 C ATOM 514 CD1 ILE A 23 -6.313 -6.924 -10.160 1.00 1.39 C ATOM 0 H ILE A 23 -3.382 -4.282 -10.273 1.00 0.39 H new ATOM 0 HA ILE A 23 -2.797 -6.073 -8.041 1.00 0.38 H new ATOM 0 HB ILE A 23 -3.720 -6.611 -10.890 1.00 0.45 H new ATOM 0 HG12 ILE A 23 -5.313 -6.659 -8.294 1.00 0.51 H new ATOM 0 HG13 ILE A 23 -5.259 -5.257 -9.344 1.00 0.51 H new ATOM 0 HG21 ILE A 23 -4.293 -8.838 -10.030 1.00 0.48 H new ATOM 0 HG22 ILE A 23 -2.548 -8.516 -9.897 1.00 0.48 H new ATOM 0 HG23 ILE A 23 -3.585 -8.414 -8.454 1.00 0.48 H new ATOM 0 HD11 ILE A 23 -7.270 -6.588 -9.760 1.00 1.39 H new ATOM 0 HD12 ILE A 23 -6.213 -6.589 -11.193 1.00 1.39 H new ATOM 0 HD13 ILE A 23 -6.268 -8.013 -10.126 1.00 1.39 H new ATOM 526 N ALA A 24 -0.601 -6.935 -8.703 1.00 0.38 N ATOM 527 CA ALA A 24 0.779 -7.280 -8.968 1.00 0.45 C ATOM 528 C ALA A 24 0.991 -8.776 -8.829 1.00 0.41 C ATOM 529 O ALA A 24 0.168 -9.481 -8.236 1.00 0.39 O ATOM 530 CB ALA A 24 1.703 -6.523 -8.023 1.00 0.55 C ATOM 0 H ALA A 24 -0.950 -7.261 -7.802 1.00 0.38 H new ATOM 0 HA ALA A 24 1.016 -6.993 -9.992 1.00 0.45 H new ATOM 0 HB1 ALA A 24 2.738 -6.792 -8.233 1.00 0.55 H new ATOM 0 HB2 ALA A 24 1.570 -5.451 -8.166 1.00 0.55 H new ATOM 0 HB3 ALA A 24 1.463 -6.784 -6.992 1.00 0.55 H new ATOM 536 N VAL A 25 2.097 -9.256 -9.370 1.00 0.56 N ATOM 537 CA VAL A 25 2.394 -10.674 -9.354 1.00 0.60 C ATOM 538 C VAL A 25 3.207 -11.037 -8.119 1.00 0.56 C ATOM 539 O VAL A 25 4.342 -10.589 -7.948 1.00 0.78 O ATOM 540 CB VAL A 25 3.159 -11.110 -10.619 1.00 0.91 C ATOM 541 CG1 VAL A 25 3.403 -12.612 -10.617 1.00 1.48 C ATOM 542 CG2 VAL A 25 2.400 -10.694 -11.871 1.00 1.67 C ATOM 0 H VAL A 25 2.805 -8.681 -9.827 1.00 0.56 H new ATOM 0 HA VAL A 25 1.441 -11.202 -9.330 1.00 0.60 H new ATOM 0 HB VAL A 25 4.128 -10.610 -10.618 1.00 0.91 H new ATOM 0 HG11 VAL A 25 3.944 -12.894 -11.520 1.00 1.48 H new ATOM 0 HG12 VAL A 25 3.992 -12.884 -9.741 1.00 1.48 H new ATOM 0 HG13 VAL A 25 2.448 -13.136 -10.588 1.00 1.48 H new ATOM 0 HG21 VAL A 25 2.955 -11.010 -12.755 1.00 1.67 H new ATOM 0 HG22 VAL A 25 1.416 -11.164 -11.873 1.00 1.67 H new ATOM 0 HG23 VAL A 25 2.285 -9.610 -11.883 1.00 1.67 H new ATOM 552 N GLU A 26 2.606 -11.833 -7.257 1.00 0.43 N ATOM 553 CA GLU A 26 3.260 -12.319 -6.055 1.00 0.48 C ATOM 554 C GLU A 26 3.735 -13.750 -6.295 1.00 0.53 C ATOM 555 O GLU A 26 3.351 -14.677 -5.581 1.00 0.68 O ATOM 556 CB GLU A 26 2.264 -12.266 -4.892 1.00 0.51 C ATOM 557 CG GLU A 26 2.859 -12.557 -3.516 1.00 0.74 C ATOM 558 CD GLU A 26 4.039 -11.673 -3.168 1.00 1.01 C ATOM 559 OE1 GLU A 26 5.176 -12.011 -3.560 1.00 1.50 O ATOM 560 OE2 GLU A 26 3.838 -10.648 -2.490 1.00 1.85 O ATOM 0 H GLU A 26 1.647 -12.163 -7.369 1.00 0.43 H new ATOM 0 HA GLU A 26 4.122 -11.699 -5.808 1.00 0.48 H new ATOM 0 HB2 GLU A 26 1.806 -11.277 -4.871 1.00 0.51 H new ATOM 0 HB3 GLU A 26 1.466 -12.983 -5.085 1.00 0.51 H new ATOM 0 HG2 GLU A 26 2.084 -12.430 -2.760 1.00 0.74 H new ATOM 0 HG3 GLU A 26 3.173 -13.600 -3.478 1.00 0.74 H new ATOM 567 N GLY A 27 4.548 -13.929 -7.330 1.00 0.54 N ATOM 568 CA GLY A 27 4.952 -15.262 -7.734 1.00 0.60 C ATOM 569 C GLY A 27 3.824 -15.979 -8.447 1.00 0.69 C ATOM 570 O GLY A 27 3.832 -16.120 -9.671 1.00 0.80 O ATOM 0 H GLY A 27 4.935 -13.174 -7.897 1.00 0.54 H new ATOM 0 HA2 GLY A 27 5.820 -15.199 -8.390 1.00 0.60 H new ATOM 0 HA3 GLY A 27 5.255 -15.835 -6.858 1.00 0.60 H new ATOM 574 N ASP A 28 2.845 -16.426 -7.674 1.00 0.75 N ATOM 575 CA ASP A 28 1.638 -17.028 -8.227 1.00 0.93 C ATOM 576 C ASP A 28 0.426 -16.578 -7.424 1.00 0.85 C ATOM 577 O ASP A 28 -0.662 -17.149 -7.519 1.00 1.07 O ATOM 578 CB ASP A 28 1.740 -18.556 -8.240 1.00 1.21 C ATOM 579 CG ASP A 28 1.650 -19.172 -6.857 1.00 1.64 C ATOM 580 OD1 ASP A 28 2.669 -19.186 -6.136 1.00 2.21 O ATOM 581 OD2 ASP A 28 0.562 -19.656 -6.493 1.00 2.13 O ATOM 0 H ASP A 28 2.863 -16.383 -6.655 1.00 0.75 H new ATOM 0 HA ASP A 28 1.525 -16.696 -9.259 1.00 0.93 H new ATOM 0 HB2 ASP A 28 0.944 -18.962 -8.864 1.00 1.21 H new ATOM 0 HB3 ASP A 28 2.685 -18.847 -8.700 1.00 1.21 H new ATOM 586 N GLN A 29 0.622 -15.504 -6.677 1.00 0.61 N ATOM 587 CA GLN A 29 -0.418 -14.932 -5.842 1.00 0.54 C ATOM 588 C GLN A 29 -0.773 -13.562 -6.380 1.00 0.41 C ATOM 589 O GLN A 29 0.065 -12.895 -6.987 1.00 0.38 O ATOM 590 CB GLN A 29 0.082 -14.825 -4.397 1.00 0.60 C ATOM 591 CG GLN A 29 -0.904 -14.194 -3.424 1.00 0.62 C ATOM 592 CD GLN A 29 -0.458 -14.337 -1.983 1.00 0.73 C ATOM 593 OE1 GLN A 29 -0.803 -15.306 -1.312 1.00 1.01 O ATOM 594 NE2 GLN A 29 0.306 -13.374 -1.496 1.00 0.74 N ATOM 0 H GLN A 29 1.510 -15.004 -6.633 1.00 0.61 H new ATOM 0 HA GLN A 29 -1.303 -15.568 -5.855 1.00 0.54 H new ATOM 0 HB2 GLN A 29 0.334 -15.824 -4.040 1.00 0.60 H new ATOM 0 HB3 GLN A 29 1.003 -14.242 -4.388 1.00 0.60 H new ATOM 0 HG2 GLN A 29 -1.021 -13.137 -3.663 1.00 0.62 H new ATOM 0 HG3 GLN A 29 -1.882 -14.659 -3.548 1.00 0.62 H new ATOM 0 HE21 GLN A 29 0.571 -12.585 -2.086 1.00 0.74 H new ATOM 0 HE22 GLN A 29 0.631 -13.420 -0.530 1.00 0.74 H new ATOM 603 N VAL A 30 -2.010 -13.149 -6.189 1.00 0.37 N ATOM 604 CA VAL A 30 -2.440 -11.862 -6.681 1.00 0.31 C ATOM 605 C VAL A 30 -2.701 -10.914 -5.528 1.00 0.24 C ATOM 606 O VAL A 30 -3.392 -11.237 -4.553 1.00 0.28 O ATOM 607 CB VAL A 30 -3.693 -11.963 -7.588 1.00 0.42 C ATOM 608 CG1 VAL A 30 -3.370 -12.693 -8.887 1.00 1.08 C ATOM 609 CG2 VAL A 30 -4.830 -12.659 -6.859 1.00 0.98 C ATOM 0 H VAL A 30 -2.728 -13.683 -5.700 1.00 0.37 H new ATOM 0 HA VAL A 30 -1.629 -11.469 -7.294 1.00 0.31 H new ATOM 0 HB VAL A 30 -4.009 -10.950 -7.836 1.00 0.42 H new ATOM 0 HG11 VAL A 30 -4.266 -12.750 -9.505 1.00 1.08 H new ATOM 0 HG12 VAL A 30 -2.592 -12.151 -9.425 1.00 1.08 H new ATOM 0 HG13 VAL A 30 -3.020 -13.700 -8.661 1.00 1.08 H new ATOM 0 HG21 VAL A 30 -5.699 -12.719 -7.514 1.00 0.98 H new ATOM 0 HG22 VAL A 30 -4.519 -13.665 -6.576 1.00 0.98 H new ATOM 0 HG23 VAL A 30 -5.089 -12.093 -5.964 1.00 0.98 H new ATOM 619 N LYS A 31 -2.086 -9.769 -5.611 1.00 0.20 N ATOM 620 CA LYS A 31 -2.195 -8.790 -4.569 1.00 0.21 C ATOM 621 C LYS A 31 -2.413 -7.408 -5.171 1.00 0.22 C ATOM 622 O LYS A 31 -1.953 -7.129 -6.280 1.00 0.25 O ATOM 623 CB LYS A 31 -0.937 -8.863 -3.714 1.00 0.31 C ATOM 624 CG LYS A 31 0.302 -8.355 -4.433 1.00 0.38 C ATOM 625 CD LYS A 31 1.581 -8.735 -3.714 1.00 0.55 C ATOM 626 CE LYS A 31 1.598 -8.214 -2.289 1.00 0.64 C ATOM 627 NZ LYS A 31 2.941 -8.365 -1.670 1.00 0.91 N ATOM 0 H LYS A 31 -1.499 -9.489 -6.397 1.00 0.20 H new ATOM 0 HA LYS A 31 -3.057 -8.991 -3.933 1.00 0.21 H new ATOM 0 HB2 LYS A 31 -1.088 -8.280 -2.806 1.00 0.31 H new ATOM 0 HB3 LYS A 31 -0.773 -9.896 -3.406 1.00 0.31 H new ATOM 0 HG2 LYS A 31 0.323 -8.759 -5.445 1.00 0.38 H new ATOM 0 HG3 LYS A 31 0.247 -7.270 -4.524 1.00 0.38 H new ATOM 0 HD2 LYS A 31 1.686 -9.820 -3.706 1.00 0.55 H new ATOM 0 HD3 LYS A 31 2.437 -8.336 -4.258 1.00 0.55 H new ATOM 0 HE2 LYS A 31 1.309 -7.163 -2.281 1.00 0.64 H new ATOM 0 HE3 LYS A 31 0.860 -8.752 -1.695 1.00 0.64 H new ATOM 0 HZ1 LYS A 31 2.956 -7.879 -0.750 1.00 0.91 H new ATOM 0 HZ2 LYS A 31 3.148 -9.375 -1.532 1.00 0.91 H new ATOM 0 HZ3 LYS A 31 3.660 -7.947 -2.294 1.00 0.91 H new ATOM 641 N LEU A 32 -3.130 -6.564 -4.454 1.00 0.27 N ATOM 642 CA LEU A 32 -3.407 -5.214 -4.913 1.00 0.30 C ATOM 643 C LEU A 32 -2.391 -4.262 -4.309 1.00 0.29 C ATOM 644 O LEU A 32 -1.696 -4.613 -3.362 1.00 0.33 O ATOM 645 CB LEU A 32 -4.831 -4.800 -4.527 1.00 0.43 C ATOM 646 CG LEU A 32 -5.093 -4.634 -3.020 1.00 0.53 C ATOM 647 CD1 LEU A 32 -4.951 -3.178 -2.598 1.00 0.57 C ATOM 648 CD2 LEU A 32 -6.470 -5.161 -2.661 1.00 0.75 C ATOM 0 H LEU A 32 -3.534 -6.790 -3.545 1.00 0.27 H new ATOM 0 HA LEU A 32 -3.329 -5.178 -6.000 1.00 0.30 H new ATOM 0 HB2 LEU A 32 -5.063 -3.857 -5.023 1.00 0.43 H new ATOM 0 HB3 LEU A 32 -5.525 -5.545 -4.918 1.00 0.43 H new ATOM 0 HG LEU A 32 -4.346 -5.215 -2.480 1.00 0.53 H new ATOM 0 HD11 LEU A 32 -5.141 -3.089 -1.528 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -3.941 -2.833 -2.817 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -5.669 -2.569 -3.146 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -6.640 -5.036 -1.592 1.00 0.75 H new ATOM 0 HD22 LEU A 32 -7.227 -4.607 -3.216 1.00 0.75 H new ATOM 0 HD23 LEU A 32 -6.533 -6.219 -2.917 1.00 0.75 H new ATOM 660 N GLY A 33 -2.283 -3.079 -4.863 1.00 0.29 N ATOM 661 CA GLY A 33 -1.349 -2.117 -4.345 1.00 0.29 C ATOM 662 C GLY A 33 -1.851 -0.707 -4.491 1.00 0.30 C ATOM 663 O GLY A 33 -2.542 -0.390 -5.459 1.00 0.41 O ATOM 0 H GLY A 33 -2.827 -2.763 -5.666 1.00 0.29 H new ATOM 0 HA2 GLY A 33 -1.159 -2.327 -3.292 1.00 0.29 H new ATOM 0 HA3 GLY A 33 -0.397 -2.219 -4.867 1.00 0.29 H new ATOM 667 N ILE A 34 -1.522 0.140 -3.533 1.00 0.26 N ATOM 668 CA ILE A 34 -1.838 1.548 -3.645 1.00 0.30 C ATOM 669 C ILE A 34 -0.552 2.361 -3.733 1.00 0.29 C ATOM 670 O ILE A 34 0.368 2.192 -2.927 1.00 0.27 O ATOM 671 CB ILE A 34 -2.709 2.075 -2.476 1.00 0.34 C ATOM 672 CG1 ILE A 34 -1.926 2.077 -1.160 1.00 0.35 C ATOM 673 CG2 ILE A 34 -3.975 1.241 -2.345 1.00 0.36 C ATOM 674 CD1 ILE A 34 -2.469 3.057 -0.145 1.00 1.16 C ATOM 0 H ILE A 34 -1.039 -0.122 -2.674 1.00 0.26 H new ATOM 0 HA ILE A 34 -2.426 1.665 -4.555 1.00 0.30 H new ATOM 0 HB ILE A 34 -2.989 3.105 -2.698 1.00 0.34 H new ATOM 0 HG12 ILE A 34 -1.944 1.074 -0.733 1.00 0.35 H new ATOM 0 HG13 ILE A 34 -0.883 2.318 -1.366 1.00 0.35 H new ATOM 0 HG21 ILE A 34 -4.578 1.622 -1.520 1.00 0.36 H new ATOM 0 HG22 ILE A 34 -4.547 1.301 -3.271 1.00 0.36 H new ATOM 0 HG23 ILE A 34 -3.708 0.202 -2.150 1.00 0.36 H new ATOM 0 HD11 ILE A 34 -1.870 3.009 0.764 1.00 1.16 H new ATOM 0 HD12 ILE A 34 -2.426 4.066 -0.555 1.00 1.16 H new ATOM 0 HD13 ILE A 34 -3.503 2.804 0.088 1.00 1.16 H new ATOM 686 N ASP A 35 -0.476 3.205 -4.739 1.00 0.36 N ATOM 687 CA ASP A 35 0.643 4.114 -4.886 1.00 0.37 C ATOM 688 C ASP A 35 0.133 5.539 -4.809 1.00 0.38 C ATOM 689 O ASP A 35 -0.768 5.928 -5.554 1.00 0.51 O ATOM 690 CB ASP A 35 1.380 3.864 -6.208 1.00 0.53 C ATOM 691 CG ASP A 35 2.353 4.972 -6.564 1.00 1.15 C ATOM 692 OD1 ASP A 35 3.517 4.909 -6.118 1.00 1.94 O ATOM 693 OD2 ASP A 35 1.955 5.920 -7.272 1.00 1.40 O ATOM 0 H ASP A 35 -1.180 3.282 -5.473 1.00 0.36 H new ATOM 0 HA ASP A 35 1.357 3.944 -4.080 1.00 0.37 H new ATOM 0 HB2 ASP A 35 1.921 2.920 -6.143 1.00 0.53 H new ATOM 0 HB3 ASP A 35 0.650 3.758 -7.010 1.00 0.53 H new ATOM 698 N ALA A 36 0.696 6.307 -3.897 1.00 0.34 N ATOM 699 CA ALA A 36 0.204 7.645 -3.634 1.00 0.42 C ATOM 700 C ALA A 36 1.282 8.686 -3.891 1.00 0.46 C ATOM 701 O ALA A 36 2.469 8.421 -3.687 1.00 0.49 O ATOM 702 CB ALA A 36 -0.306 7.741 -2.204 1.00 0.48 C ATOM 0 H ALA A 36 1.494 6.028 -3.326 1.00 0.34 H new ATOM 0 HA ALA A 36 -0.621 7.848 -4.316 1.00 0.42 H new ATOM 0 HB1 ALA A 36 -0.674 8.750 -2.016 1.00 0.48 H new ATOM 0 HB2 ALA A 36 -1.116 7.026 -2.058 1.00 0.48 H new ATOM 0 HB3 ALA A 36 0.506 7.516 -1.512 1.00 0.48 H new ATOM 708 N PRO A 37 0.868 9.892 -4.319 1.00 0.54 N ATOM 709 CA PRO A 37 1.771 11.014 -4.630 1.00 0.63 C ATOM 710 C PRO A 37 2.375 11.656 -3.377 1.00 0.61 C ATOM 711 O PRO A 37 2.811 12.809 -3.402 1.00 0.65 O ATOM 712 CB PRO A 37 0.870 12.018 -5.369 1.00 0.71 C ATOM 713 CG PRO A 37 -0.410 11.293 -5.637 1.00 0.77 C ATOM 714 CD PRO A 37 -0.531 10.259 -4.563 1.00 0.62 C ATOM 0 HA PRO A 37 2.629 10.683 -5.215 1.00 0.63 H new ATOM 0 HB2 PRO A 37 0.697 12.908 -4.764 1.00 0.71 H new ATOM 0 HB3 PRO A 37 1.334 12.350 -6.298 1.00 0.71 H new ATOM 0 HG2 PRO A 37 -1.258 11.978 -5.617 1.00 0.77 H new ATOM 0 HG3 PRO A 37 -0.397 10.831 -6.624 1.00 0.77 H new ATOM 0 HD2 PRO A 37 -1.008 10.657 -3.668 1.00 0.62 H new ATOM 0 HD3 PRO A 37 -1.124 9.404 -4.887 1.00 0.62 H new ATOM 722 N LYS A 38 2.380 10.893 -2.286 1.00 0.59 N ATOM 723 CA LYS A 38 3.089 11.256 -1.060 1.00 0.63 C ATOM 724 C LYS A 38 2.391 12.381 -0.287 1.00 0.68 C ATOM 725 O LYS A 38 3.021 13.162 0.425 1.00 1.12 O ATOM 726 CB LYS A 38 4.544 11.601 -1.391 1.00 0.73 C ATOM 727 CG LYS A 38 5.442 11.709 -0.186 1.00 1.19 C ATOM 728 CD LYS A 38 5.334 10.469 0.673 1.00 0.90 C ATOM 729 CE LYS A 38 6.507 10.374 1.627 1.00 0.92 C ATOM 730 NZ LYS A 38 6.550 11.516 2.578 1.00 1.86 N ATOM 0 H LYS A 38 1.890 10.001 -2.227 1.00 0.59 H new ATOM 0 HA LYS A 38 3.077 10.394 -0.393 1.00 0.63 H new ATOM 0 HB2 LYS A 38 4.943 10.839 -2.061 1.00 0.73 H new ATOM 0 HB3 LYS A 38 4.567 12.546 -1.934 1.00 0.73 H new ATOM 0 HG2 LYS A 38 6.475 11.847 -0.507 1.00 1.19 H new ATOM 0 HG3 LYS A 38 5.170 12.588 0.399 1.00 1.19 H new ATOM 0 HD2 LYS A 38 4.401 10.491 1.237 1.00 0.90 H new ATOM 0 HD3 LYS A 38 5.302 9.583 0.039 1.00 0.90 H new ATOM 0 HE2 LYS A 38 6.444 9.440 2.186 1.00 0.92 H new ATOM 0 HE3 LYS A 38 7.435 10.343 1.057 1.00 0.92 H new ATOM 0 HZ1 LYS A 38 7.283 11.343 3.295 1.00 1.86 H new ATOM 0 HZ2 LYS A 38 6.771 12.391 2.061 1.00 1.86 H new ATOM 0 HZ3 LYS A 38 5.626 11.614 3.044 1.00 1.86 H new ATOM 744 N HIS A 39 1.075 12.451 -0.419 1.00 0.67 N ATOM 745 CA HIS A 39 0.269 13.252 0.501 1.00 0.67 C ATOM 746 C HIS A 39 0.189 12.538 1.860 1.00 0.62 C ATOM 747 O HIS A 39 0.949 11.607 2.130 1.00 0.70 O ATOM 748 CB HIS A 39 -1.151 13.453 -0.059 1.00 0.69 C ATOM 749 CG HIS A 39 -1.966 12.195 -0.048 1.00 0.60 C ATOM 750 ND1 HIS A 39 -1.386 10.953 -0.030 1.00 0.57 N ATOM 751 CD2 HIS A 39 -3.302 11.984 0.024 1.00 0.59 C ATOM 752 CE1 HIS A 39 -2.310 10.038 0.057 1.00 0.55 C ATOM 753 NE2 HIS A 39 -3.488 10.630 0.087 1.00 0.54 N ATOM 0 H HIS A 39 0.543 11.970 -1.145 1.00 0.67 H new ATOM 0 HA HIS A 39 0.738 14.229 0.622 1.00 0.67 H new ATOM 0 HB2 HIS A 39 -1.663 14.216 0.527 1.00 0.69 H new ATOM 0 HB3 HIS A 39 -1.084 13.827 -1.080 1.00 0.69 H new ATOM 0 HD2 HIS A 39 -4.073 12.740 0.030 1.00 0.59 H new ATOM 0 HE1 HIS A 39 -2.139 8.972 0.098 1.00 0.55 H new ATOM 0 HE2 HIS A 39 -4.389 10.156 0.147 1.00 0.54 H new ATOM 762 N ILE A 40 -0.767 12.937 2.678 1.00 0.63 N ATOM 763 CA ILE A 40 -1.013 12.289 3.948 1.00 0.64 C ATOM 764 C ILE A 40 -2.217 11.384 3.826 1.00 0.44 C ATOM 765 O ILE A 40 -3.093 11.605 2.989 1.00 0.44 O ATOM 766 CB ILE A 40 -1.262 13.295 5.090 1.00 0.85 C ATOM 767 CG1 ILE A 40 -2.540 14.103 4.815 1.00 0.90 C ATOM 768 CG2 ILE A 40 -0.054 14.207 5.272 1.00 1.06 C ATOM 769 CD1 ILE A 40 -2.341 15.356 3.981 1.00 1.02 C ATOM 0 H ILE A 40 -1.392 13.718 2.479 1.00 0.63 H new ATOM 0 HA ILE A 40 -0.117 11.719 4.196 1.00 0.64 H new ATOM 0 HB ILE A 40 -1.404 12.746 6.021 1.00 0.85 H new ATOM 0 HG12 ILE A 40 -3.258 13.458 4.308 1.00 0.90 H new ATOM 0 HG13 ILE A 40 -2.985 14.387 5.769 1.00 0.90 H new ATOM 0 HG21 ILE A 40 -0.248 14.910 6.082 1.00 1.06 H new ATOM 0 HG22 ILE A 40 0.822 13.606 5.515 1.00 1.06 H new ATOM 0 HG23 ILE A 40 0.128 14.758 4.349 1.00 1.06 H new ATOM 0 HD11 ILE A 40 -3.299 15.856 3.842 1.00 1.02 H new ATOM 0 HD12 ILE A 40 -1.652 16.028 4.492 1.00 1.02 H new ATOM 0 HD13 ILE A 40 -1.929 15.085 3.009 1.00 1.02 H new ATOM 781 N ASP A 41 -2.246 10.368 4.647 1.00 0.43 N ATOM 782 CA ASP A 41 -3.285 9.367 4.579 1.00 0.34 C ATOM 783 C ASP A 41 -4.530 9.811 5.340 1.00 0.31 C ATOM 784 O ASP A 41 -4.526 9.901 6.569 1.00 0.38 O ATOM 785 CB ASP A 41 -2.728 8.061 5.131 1.00 0.54 C ATOM 786 CG ASP A 41 -3.667 6.886 4.962 1.00 0.90 C ATOM 787 OD1 ASP A 41 -4.326 6.812 3.919 1.00 1.36 O ATOM 788 OD2 ASP A 41 -3.744 6.036 5.875 1.00 1.05 O ATOM 0 H ASP A 41 -1.555 10.208 5.380 1.00 0.43 H new ATOM 0 HA ASP A 41 -3.591 9.222 3.543 1.00 0.34 H new ATOM 0 HB2 ASP A 41 -1.785 7.837 4.632 1.00 0.54 H new ATOM 0 HB3 ASP A 41 -2.505 8.189 6.190 1.00 0.54 H new ATOM 793 N ILE A 42 -5.583 10.100 4.588 1.00 0.28 N ATOM 794 CA ILE A 42 -6.838 10.590 5.149 1.00 0.30 C ATOM 795 C ILE A 42 -7.697 9.420 5.605 1.00 0.29 C ATOM 796 O ILE A 42 -7.621 8.335 5.038 1.00 0.31 O ATOM 797 CB ILE A 42 -7.618 11.422 4.107 1.00 0.38 C ATOM 798 CG1 ILE A 42 -6.704 12.485 3.497 1.00 0.41 C ATOM 799 CG2 ILE A 42 -8.851 12.069 4.734 1.00 0.47 C ATOM 800 CD1 ILE A 42 -6.213 13.515 4.494 1.00 1.28 C ATOM 0 H ILE A 42 -5.593 10.002 3.573 1.00 0.28 H new ATOM 0 HA ILE A 42 -6.602 11.226 6.002 1.00 0.30 H new ATOM 0 HB ILE A 42 -7.958 10.753 3.316 1.00 0.38 H new ATOM 0 HG12 ILE A 42 -5.844 11.994 3.043 1.00 0.41 H new ATOM 0 HG13 ILE A 42 -7.239 12.995 2.696 1.00 0.41 H new ATOM 0 HG21 ILE A 42 -9.382 12.649 3.979 1.00 0.47 H new ATOM 0 HG22 ILE A 42 -9.510 11.294 5.125 1.00 0.47 H new ATOM 0 HG23 ILE A 42 -8.543 12.727 5.546 1.00 0.47 H new ATOM 0 HD11 ILE A 42 -5.571 14.235 3.987 1.00 1.28 H new ATOM 0 HD12 ILE A 42 -7.066 14.034 4.931 1.00 1.28 H new ATOM 0 HD13 ILE A 42 -5.649 13.018 5.283 1.00 1.28 H new ATOM 812 N HIS A 43 -8.501 9.627 6.643 1.00 0.31 N ATOM 813 CA HIS A 43 -9.316 8.552 7.203 1.00 0.33 C ATOM 814 C HIS A 43 -10.715 9.051 7.511 1.00 0.45 C ATOM 815 O HIS A 43 -10.971 10.252 7.473 1.00 0.52 O ATOM 816 CB HIS A 43 -8.692 7.979 8.473 1.00 0.30 C ATOM 817 CG HIS A 43 -7.246 7.647 8.327 1.00 0.27 C ATOM 818 ND1 HIS A 43 -6.297 8.020 9.246 1.00 0.37 N ATOM 819 CD2 HIS A 43 -6.590 6.980 7.353 1.00 0.23 C ATOM 820 CE1 HIS A 43 -5.116 7.600 8.845 1.00 0.38 C ATOM 821 NE2 HIS A 43 -5.268 6.963 7.702 1.00 0.28 N ATOM 0 H HIS A 43 -8.606 10.526 7.113 1.00 0.31 H new ATOM 0 HA HIS A 43 -9.367 7.761 6.455 1.00 0.33 H new ATOM 0 HB2 HIS A 43 -8.812 8.698 9.283 1.00 0.30 H new ATOM 0 HB3 HIS A 43 -9.236 7.080 8.762 1.00 0.30 H new ATOM 0 HD2 HIS A 43 -7.027 6.543 6.467 1.00 0.23 H new ATOM 0 HE1 HIS A 43 -4.181 7.752 9.365 1.00 0.38 H new ATOM 0 HE2 HIS A 43 -4.519 6.527 7.164 1.00 0.28 H new ATOM 830 N ARG A 44 -11.622 8.125 7.800 1.00 0.52 N ATOM 831 CA ARG A 44 -13.009 8.497 8.068 1.00 0.70 C ATOM 832 C ARG A 44 -13.215 8.715 9.564 1.00 0.87 C ATOM 833 O ARG A 44 -13.274 9.852 10.034 1.00 1.74 O ATOM 834 CB ARG A 44 -13.976 7.429 7.554 1.00 0.99 C ATOM 835 CG ARG A 44 -15.426 7.885 7.559 1.00 1.38 C ATOM 836 CD ARG A 44 -15.656 9.011 6.563 1.00 1.75 C ATOM 837 NE ARG A 44 -16.932 9.686 6.777 1.00 2.71 N ATOM 838 CZ ARG A 44 -17.773 10.024 5.802 1.00 3.43 C ATOM 839 NH1 ARG A 44 -17.498 9.710 4.542 1.00 3.41 N ATOM 840 NH2 ARG A 44 -18.890 10.679 6.091 1.00 4.52 N ATOM 0 H ARG A 44 -11.428 7.125 7.855 1.00 0.52 H new ATOM 0 HA ARG A 44 -13.218 9.427 7.539 1.00 0.70 H new ATOM 0 HB2 ARG A 44 -13.693 7.149 6.539 1.00 0.99 H new ATOM 0 HB3 ARG A 44 -13.881 6.535 8.170 1.00 0.99 H new ATOM 0 HG2 ARG A 44 -16.075 7.044 7.316 1.00 1.38 H new ATOM 0 HG3 ARG A 44 -15.700 8.220 8.559 1.00 1.38 H new ATOM 0 HD2 ARG A 44 -14.846 9.736 6.644 1.00 1.75 H new ATOM 0 HD3 ARG A 44 -15.625 8.609 5.550 1.00 1.75 H new ATOM 0 HE ARG A 44 -17.197 9.913 7.735 1.00 2.71 H new ATOM 0 HH11 ARG A 44 -16.639 9.208 4.317 1.00 3.41 H new ATOM 0 HH12 ARG A 44 -18.145 9.971 3.798 1.00 3.41 H new ATOM 0 HH21 ARG A 44 -19.103 10.922 7.058 1.00 4.52 H new ATOM 0 HH22 ARG A 44 -19.536 10.939 5.346 1.00 4.52 H new ATOM 854 N LYS A 45 -13.332 7.621 10.303 1.00 0.90 N ATOM 855 CA LYS A 45 -13.363 7.666 11.759 1.00 0.97 C ATOM 856 C LYS A 45 -12.081 7.046 12.275 1.00 1.10 C ATOM 857 O LYS A 45 -11.330 7.650 13.046 1.00 2.07 O ATOM 858 CB LYS A 45 -14.572 6.903 12.305 1.00 1.13 C ATOM 859 CG LYS A 45 -15.909 7.532 11.957 1.00 1.58 C ATOM 860 CD LYS A 45 -17.063 6.680 12.461 1.00 2.14 C ATOM 861 CE LYS A 45 -18.398 7.388 12.309 1.00 2.99 C ATOM 862 NZ LYS A 45 -18.487 8.593 13.173 1.00 3.41 N ATOM 0 H LYS A 45 -13.408 6.681 9.913 1.00 0.90 H new ATOM 0 HA LYS A 45 -13.449 8.700 12.092 1.00 0.97 H new ATOM 0 HB2 LYS A 45 -14.550 5.884 11.919 1.00 1.13 H new ATOM 0 HB3 LYS A 45 -14.486 6.835 13.389 1.00 1.13 H new ATOM 0 HG2 LYS A 45 -15.970 8.528 12.395 1.00 1.58 H new ATOM 0 HG3 LYS A 45 -15.987 7.653 10.877 1.00 1.58 H new ATOM 0 HD2 LYS A 45 -17.087 5.739 11.912 1.00 2.14 H new ATOM 0 HD3 LYS A 45 -16.901 6.433 13.510 1.00 2.14 H new ATOM 0 HE2 LYS A 45 -18.539 7.677 11.267 1.00 2.99 H new ATOM 0 HE3 LYS A 45 -19.205 6.700 12.561 1.00 2.99 H new ATOM 0 HZ1 LYS A 45 -19.480 8.890 13.253 1.00 3.41 H new ATOM 0 HZ2 LYS A 45 -18.115 8.371 14.118 1.00 3.41 H new ATOM 0 HZ3 LYS A 45 -17.928 9.363 12.754 1.00 3.41 H new ATOM 876 N GLU A 46 -11.842 5.831 11.823 1.00 0.79 N ATOM 877 CA GLU A 46 -10.593 5.150 12.048 1.00 0.83 C ATOM 878 C GLU A 46 -9.858 5.097 10.714 1.00 0.92 C ATOM 879 O GLU A 46 -10.338 5.658 9.721 1.00 1.78 O ATOM 880 CB GLU A 46 -10.857 3.745 12.603 1.00 0.95 C ATOM 881 CG GLU A 46 -9.624 3.046 13.152 1.00 1.87 C ATOM 882 CD GLU A 46 -9.964 1.754 13.854 1.00 2.53 C ATOM 883 OE1 GLU A 46 -10.069 0.713 13.175 1.00 3.10 O ATOM 884 OE2 GLU A 46 -10.147 1.781 15.091 1.00 2.94 O ATOM 0 H GLU A 46 -12.518 5.288 11.285 1.00 0.79 H new ATOM 0 HA GLU A 46 -9.982 5.674 12.783 1.00 0.83 H new ATOM 0 HB2 GLU A 46 -11.603 3.814 13.394 1.00 0.95 H new ATOM 0 HB3 GLU A 46 -11.287 3.130 11.812 1.00 0.95 H new ATOM 0 HG2 GLU A 46 -8.931 2.842 12.336 1.00 1.87 H new ATOM 0 HG3 GLU A 46 -9.111 3.711 13.847 1.00 1.87 H new ATOM 891 N ILE A 47 -8.712 4.450 10.664 1.00 0.52 N ATOM 892 CA ILE A 47 -7.983 4.357 9.421 1.00 0.42 C ATOM 893 C ILE A 47 -8.695 3.409 8.455 1.00 0.37 C ATOM 894 O ILE A 47 -8.874 2.220 8.727 1.00 0.40 O ATOM 895 CB ILE A 47 -6.523 3.925 9.632 1.00 0.46 C ATOM 896 CG1 ILE A 47 -6.440 2.503 10.194 1.00 0.53 C ATOM 897 CG2 ILE A 47 -5.817 4.896 10.566 1.00 0.52 C ATOM 898 CD1 ILE A 47 -5.023 2.023 10.444 1.00 0.61 C ATOM 0 H ILE A 47 -8.272 3.987 11.459 1.00 0.52 H new ATOM 0 HA ILE A 47 -7.958 5.355 8.984 1.00 0.42 H new ATOM 0 HB ILE A 47 -6.027 3.936 8.662 1.00 0.46 H new ATOM 0 HG12 ILE A 47 -6.998 2.459 11.129 1.00 0.53 H new ATOM 0 HG13 ILE A 47 -6.928 1.819 9.499 1.00 0.53 H new ATOM 0 HG21 ILE A 47 -4.784 4.579 10.707 1.00 0.52 H new ATOM 0 HG22 ILE A 47 -5.834 5.896 10.132 1.00 0.52 H new ATOM 0 HG23 ILE A 47 -6.327 4.910 11.529 1.00 0.52 H new ATOM 0 HD11 ILE A 47 -5.047 1.008 10.841 1.00 0.61 H new ATOM 0 HD12 ILE A 47 -4.465 2.033 9.508 1.00 0.61 H new ATOM 0 HD13 ILE A 47 -4.537 2.683 11.163 1.00 0.61 H new ATOM 910 N TYR A 48 -9.158 3.959 7.349 1.00 0.32 N ATOM 911 CA TYR A 48 -9.900 3.185 6.370 1.00 0.30 C ATOM 912 C TYR A 48 -8.977 2.609 5.299 1.00 0.29 C ATOM 913 O TYR A 48 -9.390 1.803 4.469 1.00 0.30 O ATOM 914 CB TYR A 48 -11.042 4.032 5.781 1.00 0.29 C ATOM 915 CG TYR A 48 -10.656 5.272 4.998 1.00 0.27 C ATOM 916 CD1 TYR A 48 -9.525 5.323 4.198 1.00 0.24 C ATOM 917 CD2 TYR A 48 -11.474 6.390 5.042 1.00 0.32 C ATOM 918 CE1 TYR A 48 -9.218 6.454 3.471 1.00 0.23 C ATOM 919 CE2 TYR A 48 -11.171 7.525 4.324 1.00 0.33 C ATOM 920 CZ TYR A 48 -10.046 7.553 3.538 1.00 0.29 C ATOM 921 OH TYR A 48 -9.750 8.683 2.816 1.00 0.31 O ATOM 0 H TYR A 48 -9.033 4.941 7.105 1.00 0.32 H new ATOM 0 HA TYR A 48 -10.353 2.328 6.868 1.00 0.30 H new ATOM 0 HB2 TYR A 48 -11.635 3.392 5.128 1.00 0.29 H new ATOM 0 HB3 TYR A 48 -11.691 4.339 6.601 1.00 0.29 H new ATOM 0 HD1 TYR A 48 -8.874 4.463 4.143 1.00 0.24 H new ATOM 0 HD2 TYR A 48 -12.366 6.370 5.651 1.00 0.32 H new ATOM 0 HE1 TYR A 48 -8.333 6.478 2.852 1.00 0.23 H new ATOM 0 HE2 TYR A 48 -11.816 8.390 4.379 1.00 0.33 H new ATOM 0 HH TYR A 48 -10.437 9.363 2.977 1.00 0.31 H new ATOM 931 N LEU A 49 -7.717 3.025 5.341 1.00 0.29 N ATOM 932 CA LEU A 49 -6.749 2.669 4.318 1.00 0.29 C ATOM 933 C LEU A 49 -5.711 1.754 4.905 1.00 0.30 C ATOM 934 O LEU A 49 -5.678 0.567 4.590 1.00 0.36 O ATOM 935 CB LEU A 49 -6.092 3.926 3.749 1.00 0.36 C ATOM 936 CG LEU A 49 -6.410 4.204 2.284 1.00 0.40 C ATOM 937 CD1 LEU A 49 -6.049 5.630 1.914 1.00 0.60 C ATOM 938 CD2 LEU A 49 -5.666 3.226 1.392 1.00 0.67 C ATOM 0 H LEU A 49 -7.341 3.616 6.083 1.00 0.29 H new ATOM 0 HA LEU A 49 -7.260 2.153 3.505 1.00 0.29 H new ATOM 0 HB2 LEU A 49 -6.405 4.784 4.344 1.00 0.36 H new ATOM 0 HB3 LEU A 49 -5.011 3.837 3.862 1.00 0.36 H new ATOM 0 HG LEU A 49 -7.482 4.074 2.136 1.00 0.40 H new ATOM 0 HD11 LEU A 49 -6.285 5.804 0.864 1.00 0.60 H new ATOM 0 HD12 LEU A 49 -6.619 6.322 2.534 1.00 0.60 H new ATOM 0 HD13 LEU A 49 -4.983 5.790 2.078 1.00 0.60 H new ATOM 0 HD21 LEU A 49 -5.901 3.434 0.348 1.00 0.67 H new ATOM 0 HD22 LEU A 49 -4.593 3.333 1.551 1.00 0.67 H new ATOM 0 HD23 LEU A 49 -5.969 2.208 1.636 1.00 0.67 H new ATOM 950 N THR A 50 -4.852 2.315 5.751 1.00 0.31 N ATOM 951 CA THR A 50 -3.871 1.533 6.494 1.00 0.36 C ATOM 952 C THR A 50 -2.709 1.099 5.600 1.00 0.41 C ATOM 953 O THR A 50 -1.595 0.891 6.071 1.00 0.75 O ATOM 954 CB THR A 50 -4.544 0.296 7.130 1.00 0.41 C ATOM 955 OG1 THR A 50 -5.718 0.689 7.846 1.00 0.94 O ATOM 956 CG2 THR A 50 -3.595 -0.448 8.061 1.00 0.93 C ATOM 0 H THR A 50 -4.816 3.317 5.939 1.00 0.31 H new ATOM 0 HA THR A 50 -3.468 2.167 7.284 1.00 0.36 H new ATOM 0 HB THR A 50 -4.818 -0.382 6.322 1.00 0.41 H new ATOM 0 HG1 THR A 50 -6.138 -0.102 8.244 1.00 0.94 H new ATOM 0 HG21 THR A 50 -4.106 -1.311 8.488 1.00 0.93 H new ATOM 0 HG22 THR A 50 -2.723 -0.784 7.499 1.00 0.93 H new ATOM 0 HG23 THR A 50 -3.276 0.218 8.863 1.00 0.93 H new ATOM 964 N ILE A 51 -2.963 1.014 4.307 1.00 0.34 N ATOM 965 CA ILE A 51 -1.971 0.538 3.358 1.00 0.38 C ATOM 966 C ILE A 51 -0.799 1.501 3.307 1.00 0.35 C ATOM 967 O ILE A 51 0.346 1.112 3.528 1.00 0.36 O ATOM 968 CB ILE A 51 -2.566 0.372 1.942 1.00 0.46 C ATOM 969 CG1 ILE A 51 -4.005 -0.123 2.047 1.00 0.44 C ATOM 970 CG2 ILE A 51 -1.732 -0.599 1.126 1.00 0.61 C ATOM 971 CD1 ILE A 51 -4.709 -0.281 0.717 1.00 0.83 C ATOM 0 H ILE A 51 -3.856 1.271 3.886 1.00 0.34 H new ATOM 0 HA ILE A 51 -1.632 -0.441 3.698 1.00 0.38 H new ATOM 0 HB ILE A 51 -2.556 1.338 1.437 1.00 0.46 H new ATOM 0 HG12 ILE A 51 -4.010 -1.083 2.563 1.00 0.44 H new ATOM 0 HG13 ILE A 51 -4.572 0.574 2.664 1.00 0.44 H new ATOM 0 HG21 ILE A 51 -2.165 -0.704 0.131 1.00 0.61 H new ATOM 0 HG22 ILE A 51 -0.713 -0.221 1.040 1.00 0.61 H new ATOM 0 HG23 ILE A 51 -1.718 -1.571 1.620 1.00 0.61 H new ATOM 0 HD11 ILE A 51 -5.726 -0.636 0.884 1.00 0.83 H new ATOM 0 HD12 ILE A 51 -4.740 0.681 0.205 1.00 0.83 H new ATOM 0 HD13 ILE A 51 -4.169 -1.001 0.103 1.00 0.83 H new ATOM 983 N GLN A 52 -1.080 2.769 3.052 1.00 0.36 N ATOM 984 CA GLN A 52 -0.017 3.754 3.028 1.00 0.39 C ATOM 985 C GLN A 52 0.266 4.259 4.432 1.00 0.38 C ATOM 986 O GLN A 52 1.309 4.836 4.676 1.00 0.53 O ATOM 987 CB GLN A 52 -0.336 4.931 2.109 1.00 0.47 C ATOM 988 CG GLN A 52 -1.328 5.918 2.693 1.00 0.60 C ATOM 989 CD GLN A 52 -1.580 7.092 1.776 1.00 0.85 C ATOM 990 OE1 GLN A 52 -0.719 7.464 0.969 1.00 0.89 O ATOM 991 NE2 GLN A 52 -2.735 7.712 1.923 1.00 1.32 N ATOM 0 H GLN A 52 -2.014 3.132 2.863 1.00 0.36 H new ATOM 0 HA GLN A 52 0.868 3.258 2.631 1.00 0.39 H new ATOM 0 HB2 GLN A 52 0.589 5.457 1.875 1.00 0.47 H new ATOM 0 HB3 GLN A 52 -0.731 4.548 1.168 1.00 0.47 H new ATOM 0 HG2 GLN A 52 -2.270 5.407 2.892 1.00 0.60 H new ATOM 0 HG3 GLN A 52 -0.954 6.282 3.650 1.00 0.60 H new ATOM 0 HE21 GLN A 52 -3.415 7.369 2.601 1.00 1.32 H new ATOM 0 HE22 GLN A 52 -2.948 8.534 1.358 1.00 1.32 H new ATOM 1000 N GLU A 53 -0.663 4.044 5.353 1.00 0.31 N ATOM 1001 CA GLU A 53 -0.426 4.400 6.747 1.00 0.32 C ATOM 1002 C GLU A 53 0.705 3.532 7.282 1.00 0.32 C ATOM 1003 O GLU A 53 1.586 4.000 8.006 1.00 0.39 O ATOM 1004 CB GLU A 53 -1.689 4.199 7.585 1.00 0.39 C ATOM 1005 CG GLU A 53 -1.579 4.765 8.994 1.00 0.66 C ATOM 1006 CD GLU A 53 -1.319 6.262 9.017 1.00 1.13 C ATOM 1007 OE1 GLU A 53 -0.145 6.666 8.915 1.00 1.41 O ATOM 1008 OE2 GLU A 53 -2.288 7.042 9.117 1.00 1.89 O ATOM 0 H GLU A 53 -1.576 3.631 5.165 1.00 0.31 H new ATOM 0 HA GLU A 53 -0.152 5.453 6.810 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -2.531 4.670 7.078 1.00 0.39 H new ATOM 0 HB3 GLU A 53 -1.909 3.133 7.646 1.00 0.39 H new ATOM 0 HG2 GLU A 53 -2.500 4.554 9.537 1.00 0.66 H new ATOM 0 HG3 GLU A 53 -0.774 4.254 9.522 1.00 0.66 H new ATOM 1015 N GLU A 54 0.658 2.259 6.908 1.00 0.33 N ATOM 1016 CA GLU A 54 1.754 1.337 7.146 1.00 0.39 C ATOM 1017 C GLU A 54 3.030 1.859 6.501 1.00 0.43 C ATOM 1018 O GLU A 54 4.056 2.014 7.159 1.00 0.54 O ATOM 1019 CB GLU A 54 1.407 -0.039 6.566 1.00 0.47 C ATOM 1020 CG GLU A 54 0.576 -0.906 7.500 1.00 0.56 C ATOM 1021 CD GLU A 54 1.297 -1.260 8.787 1.00 1.15 C ATOM 1022 OE1 GLU A 54 1.287 -0.439 9.727 1.00 1.84 O ATOM 1023 OE2 GLU A 54 1.859 -2.375 8.872 1.00 1.46 O ATOM 0 H GLU A 54 -0.141 1.840 6.432 1.00 0.33 H new ATOM 0 HA GLU A 54 1.913 1.248 8.221 1.00 0.39 H new ATOM 0 HB2 GLU A 54 0.863 0.097 5.631 1.00 0.47 H new ATOM 0 HB3 GLU A 54 2.331 -0.564 6.323 1.00 0.47 H new ATOM 0 HG2 GLU A 54 -0.350 -0.384 7.742 1.00 0.56 H new ATOM 0 HG3 GLU A 54 0.299 -1.824 6.982 1.00 0.56 H new ATOM 1030 N ASN A 55 2.931 2.154 5.212 1.00 0.41 N ATOM 1031 CA ASN A 55 4.076 2.579 4.416 1.00 0.50 C ATOM 1032 C ASN A 55 4.341 4.073 4.591 1.00 0.57 C ATOM 1033 O ASN A 55 5.033 4.483 5.524 1.00 1.17 O ATOM 1034 CB ASN A 55 3.811 2.243 2.941 1.00 0.62 C ATOM 1035 CG ASN A 55 5.004 2.466 2.033 1.00 1.36 C ATOM 1036 OD1 ASN A 55 5.844 3.317 2.284 1.00 1.97 O ATOM 1037 ND2 ASN A 55 5.075 1.701 0.960 1.00 1.85 N ATOM 0 H ASN A 55 2.057 2.106 4.689 1.00 0.41 H new ATOM 0 HA ASN A 55 4.965 2.049 4.756 1.00 0.50 H new ATOM 0 HB2 ASN A 55 3.501 1.201 2.867 1.00 0.62 H new ATOM 0 HB3 ASN A 55 2.978 2.850 2.585 1.00 0.62 H new ATOM 0 HD21 ASN A 55 5.851 1.810 0.307 1.00 1.85 H new ATOM 0 HD22 ASN A 55 4.354 1.001 0.784 1.00 1.85 H new ATOM 1044 N ASN A 56 3.799 4.868 3.666 1.00 0.67 N ATOM 1045 CA ASN A 56 3.898 6.334 3.688 1.00 0.75 C ATOM 1046 C ASN A 56 5.318 6.821 3.402 1.00 0.99 C ATOM 1047 O ASN A 56 5.531 7.989 3.099 1.00 1.50 O ATOM 1048 CB ASN A 56 3.395 6.898 5.016 1.00 0.71 C ATOM 1049 CG ASN A 56 3.126 8.391 4.951 1.00 0.84 C ATOM 1050 OD1 ASN A 56 2.785 8.930 3.893 1.00 1.28 O ATOM 1051 ND2 ASN A 56 3.276 9.068 6.074 1.00 0.91 N ATOM 0 H ASN A 56 3.272 4.510 2.870 1.00 0.67 H new ATOM 0 HA ASN A 56 3.259 6.706 2.887 1.00 0.75 H new ATOM 0 HB2 ASN A 56 2.480 6.380 5.304 1.00 0.71 H new ATOM 0 HB3 ASN A 56 4.132 6.699 5.794 1.00 0.71 H new ATOM 0 HD21 ASN A 56 3.109 10.074 6.089 1.00 0.91 H new ATOM 0 HD22 ASN A 56 3.559 8.585 6.927 1.00 0.91 H new ATOM 1058 N ARG A 57 6.274 5.915 3.451 1.00 0.90 N ATOM 1059 CA ARG A 57 7.666 6.248 3.222 1.00 1.15 C ATOM 1060 C ARG A 57 8.392 5.055 2.602 1.00 1.21 C ATOM 1061 O ARG A 57 8.894 5.144 1.481 1.00 1.44 O ATOM 1062 CB ARG A 57 8.328 6.686 4.537 1.00 1.31 C ATOM 1063 CG ARG A 57 8.073 5.738 5.703 1.00 1.31 C ATOM 1064 CD ARG A 57 8.700 6.241 6.988 1.00 1.43 C ATOM 1065 NE ARG A 57 10.151 6.383 6.883 1.00 1.97 N ATOM 1066 CZ ARG A 57 10.945 6.731 7.895 1.00 2.54 C ATOM 1067 NH1 ARG A 57 10.435 6.896 9.112 1.00 2.69 N ATOM 1068 NH2 ARG A 57 12.249 6.878 7.694 1.00 3.47 N ATOM 0 H ARG A 57 6.108 4.928 3.650 1.00 0.90 H new ATOM 0 HA ARG A 57 7.728 7.082 2.523 1.00 1.15 H new ATOM 0 HB2 ARG A 57 9.403 6.772 4.380 1.00 1.31 H new ATOM 0 HB3 ARG A 57 7.964 7.679 4.802 1.00 1.31 H new ATOM 0 HG2 ARG A 57 6.999 5.619 5.846 1.00 1.31 H new ATOM 0 HG3 ARG A 57 8.474 4.753 5.465 1.00 1.31 H new ATOM 0 HD2 ARG A 57 8.262 7.204 7.250 1.00 1.43 H new ATOM 0 HD3 ARG A 57 8.463 5.552 7.799 1.00 1.43 H new ATOM 0 HE ARG A 57 10.584 6.204 5.977 1.00 1.97 H new ATOM 0 HH11 ARG A 57 9.437 6.756 9.270 1.00 2.69 H new ATOM 0 HH12 ARG A 57 11.042 7.162 9.887 1.00 2.69 H new ATOM 0 HH21 ARG A 57 12.642 6.725 6.765 1.00 3.47 H new ATOM 0 HH22 ARG A 57 12.857 7.144 8.468 1.00 3.47 H new ATOM 1082 N ALA A 58 8.388 3.932 3.325 1.00 1.14 N ATOM 1083 CA ALA A 58 9.030 2.690 2.889 1.00 1.28 C ATOM 1084 C ALA A 58 8.947 1.653 3.999 1.00 1.15 C ATOM 1085 O ALA A 58 9.911 1.434 4.732 1.00 1.52 O ATOM 1086 CB ALA A 58 10.486 2.916 2.493 1.00 1.91 C ATOM 0 H ALA A 58 7.936 3.859 4.236 1.00 1.14 H new ATOM 0 HA ALA A 58 8.500 2.329 2.007 1.00 1.28 H new ATOM 0 HB1 ALA A 58 10.928 1.971 2.176 1.00 1.91 H new ATOM 0 HB2 ALA A 58 10.533 3.632 1.673 1.00 1.91 H new ATOM 0 HB3 ALA A 58 11.039 3.306 3.347 1.00 1.91 H new ATOM 1092 N ALA A 59 7.782 1.045 4.147 1.00 1.24 N ATOM 1093 CA ALA A 59 7.548 0.118 5.247 1.00 1.70 C ATOM 1094 C ALA A 59 7.662 -1.341 4.828 1.00 1.52 C ATOM 1095 O ALA A 59 7.502 -1.689 3.655 1.00 1.54 O ATOM 1096 CB ALA A 59 6.188 0.366 5.860 1.00 2.43 C ATOM 0 H ALA A 59 6.985 1.174 3.524 1.00 1.24 H new ATOM 0 HA ALA A 59 8.330 0.305 5.983 1.00 1.70 H new ATOM 0 HB1 ALA A 59 6.026 -0.333 6.680 1.00 2.43 H new ATOM 0 HB2 ALA A 59 6.140 1.387 6.238 1.00 2.43 H new ATOM 0 HB3 ALA A 59 5.416 0.223 5.104 1.00 2.43 H new ATOM 1102 N ALA A 60 7.945 -2.181 5.818 1.00 1.85 N ATOM 1103 CA ALA A 60 7.924 -3.625 5.659 1.00 1.85 C ATOM 1104 C ALA A 60 6.538 -4.158 5.999 1.00 2.49 C ATOM 1105 O ALA A 60 5.572 -3.394 6.070 1.00 3.18 O ATOM 1106 CB ALA A 60 8.978 -4.265 6.553 1.00 2.34 C ATOM 0 H ALA A 60 8.197 -1.874 6.758 1.00 1.85 H new ATOM 0 HA ALA A 60 8.153 -3.877 4.624 1.00 1.85 H new ATOM 0 HB1 ALA A 60 8.954 -5.347 6.426 1.00 2.34 H new ATOM 0 HB2 ALA A 60 9.964 -3.889 6.279 1.00 2.34 H new ATOM 0 HB3 ALA A 60 8.771 -4.017 7.594 1.00 2.34 H new ATOM 1112 N LEU A 61 6.452 -5.473 6.196 1.00 2.99 N ATOM 1113 CA LEU A 61 5.202 -6.157 6.518 1.00 4.03 C ATOM 1114 C LEU A 61 4.206 -6.105 5.354 1.00 4.34 C ATOM 1115 O LEU A 61 3.093 -6.621 5.447 1.00 4.63 O ATOM 1116 CB LEU A 61 4.606 -5.570 7.794 1.00 5.03 C ATOM 1117 CG LEU A 61 3.456 -6.366 8.415 1.00 5.72 C ATOM 1118 CD1 LEU A 61 3.921 -7.761 8.809 1.00 6.55 C ATOM 1119 CD2 LEU A 61 2.890 -5.632 9.620 1.00 6.16 C ATOM 0 H LEU A 61 7.256 -6.098 6.136 1.00 2.99 H new ATOM 0 HA LEU A 61 5.422 -7.211 6.689 1.00 4.03 H new ATOM 0 HB2 LEU A 61 5.400 -5.476 8.535 1.00 5.03 H new ATOM 0 HB3 LEU A 61 4.251 -4.562 7.578 1.00 5.03 H new ATOM 0 HG LEU A 61 2.666 -6.466 7.670 1.00 5.72 H new ATOM 0 HD11 LEU A 61 3.089 -8.311 9.249 1.00 6.55 H new ATOM 0 HD12 LEU A 61 4.278 -8.289 7.925 1.00 6.55 H new ATOM 0 HD13 LEU A 61 4.729 -7.683 9.536 1.00 6.55 H new ATOM 0 HD21 LEU A 61 2.073 -6.212 10.049 1.00 6.16 H new ATOM 0 HD22 LEU A 61 3.673 -5.501 10.367 1.00 6.16 H new ATOM 0 HD23 LEU A 61 2.517 -4.656 9.309 1.00 6.16 H new ATOM 1131 N SER A 62 4.634 -5.526 4.237 1.00 4.74 N ATOM 1132 CA SER A 62 3.838 -5.489 3.022 1.00 5.35 C ATOM 1133 C SER A 62 3.909 -6.847 2.317 1.00 5.02 C ATOM 1134 O SER A 62 4.100 -6.927 1.101 1.00 5.49 O ATOM 1135 CB SER A 62 4.364 -4.377 2.110 1.00 6.13 C ATOM 1136 OG SER A 62 3.496 -4.132 1.016 1.00 6.82 O ATOM 0 H SER A 62 5.543 -5.070 4.152 1.00 4.74 H new ATOM 0 HA SER A 62 2.796 -5.282 3.266 1.00 5.35 H new ATOM 0 HB2 SER A 62 4.486 -3.461 2.688 1.00 6.13 H new ATOM 0 HB3 SER A 62 5.350 -4.651 1.736 1.00 6.13 H new ATOM 0 HG SER A 62 2.704 -4.704 1.092 1.00 6.82 H new ATOM 1142 N SER A 63 3.754 -7.908 3.108 1.00 4.58 N ATOM 1143 CA SER A 63 3.903 -9.286 2.658 1.00 4.63 C ATOM 1144 C SER A 63 5.361 -9.628 2.347 1.00 4.13 C ATOM 1145 O SER A 63 5.764 -10.779 2.497 1.00 4.53 O ATOM 1146 CB SER A 63 3.006 -9.563 1.455 1.00 5.39 C ATOM 1147 OG SER A 63 1.639 -9.361 1.776 1.00 6.30 O ATOM 0 H SER A 63 3.517 -7.829 4.097 1.00 4.58 H new ATOM 0 HA SER A 63 3.588 -9.934 3.476 1.00 4.63 H new ATOM 0 HB2 SER A 63 3.289 -8.910 0.629 1.00 5.39 H new ATOM 0 HB3 SER A 63 3.155 -10.588 1.116 1.00 5.39 H new ATOM 0 HG SER A 63 1.080 -9.667 1.032 1.00 6.30 H new ATOM 1153 N ASP A 64 6.157 -8.638 1.944 1.00 3.70 N ATOM 1154 CA ASP A 64 7.591 -8.851 1.737 1.00 3.78 C ATOM 1155 C ASP A 64 8.289 -8.984 3.084 1.00 3.64 C ATOM 1156 O ASP A 64 9.077 -8.135 3.492 1.00 4.24 O ATOM 1157 CB ASP A 64 8.207 -7.704 0.924 1.00 4.76 C ATOM 1158 CG ASP A 64 9.594 -8.034 0.397 1.00 5.44 C ATOM 1159 OD1 ASP A 64 10.524 -8.170 1.219 1.00 5.89 O ATOM 1160 OD2 ASP A 64 9.769 -8.154 -0.833 1.00 5.83 O ATOM 0 H ASP A 64 5.838 -7.688 1.755 1.00 3.70 H new ATOM 0 HA ASP A 64 7.728 -9.772 1.170 1.00 3.78 H new ATOM 0 HB2 ASP A 64 7.552 -7.466 0.086 1.00 4.76 H new ATOM 0 HB3 ASP A 64 8.263 -6.812 1.548 1.00 4.76 H new ATOM 1165 N VAL A 65 7.934 -10.047 3.778 1.00 3.46 N ATOM 1166 CA VAL A 65 8.469 -10.379 5.082 1.00 4.03 C ATOM 1167 C VAL A 65 8.330 -11.875 5.285 1.00 4.57 C ATOM 1168 O VAL A 65 9.307 -12.588 5.507 1.00 5.28 O ATOM 1169 CB VAL A 65 7.719 -9.641 6.219 1.00 4.22 C ATOM 1170 CG1 VAL A 65 7.978 -10.303 7.568 1.00 5.28 C ATOM 1171 CG2 VAL A 65 8.128 -8.180 6.289 1.00 4.30 C ATOM 0 H VAL A 65 7.247 -10.721 3.441 1.00 3.46 H new ATOM 0 HA VAL A 65 9.513 -10.068 5.118 1.00 4.03 H new ATOM 0 HB VAL A 65 6.655 -9.700 5.992 1.00 4.22 H new ATOM 0 HG11 VAL A 65 7.439 -9.764 8.347 1.00 5.28 H new ATOM 0 HG12 VAL A 65 7.634 -11.337 7.538 1.00 5.28 H new ATOM 0 HG13 VAL A 65 9.046 -10.282 7.785 1.00 5.28 H new ATOM 0 HG21 VAL A 65 7.585 -7.688 7.096 1.00 4.30 H new ATOM 0 HG22 VAL A 65 9.199 -8.111 6.477 1.00 4.30 H new ATOM 0 HG23 VAL A 65 7.894 -7.691 5.344 1.00 4.30 H new ATOM 1181 N ILE A 66 7.090 -12.334 5.184 1.00 4.67 N ATOM 1182 CA ILE A 66 6.770 -13.743 5.322 1.00 5.63 C ATOM 1183 C ILE A 66 5.941 -14.234 4.133 1.00 5.81 C ATOM 1184 O ILE A 66 5.969 -15.413 3.792 1.00 6.55 O ATOM 1185 CB ILE A 66 6.036 -14.024 6.665 1.00 6.56 C ATOM 1186 CG1 ILE A 66 5.065 -12.886 7.031 1.00 6.73 C ATOM 1187 CG2 ILE A 66 7.046 -14.230 7.787 1.00 7.45 C ATOM 1188 CD1 ILE A 66 3.807 -12.823 6.187 1.00 7.56 C ATOM 0 H ILE A 66 6.281 -11.739 5.004 1.00 4.67 H new ATOM 0 HA ILE A 66 7.708 -14.298 5.333 1.00 5.63 H new ATOM 0 HB ILE A 66 5.451 -14.935 6.536 1.00 6.56 H new ATOM 0 HG12 ILE A 66 4.778 -12.995 8.077 1.00 6.73 H new ATOM 0 HG13 ILE A 66 5.592 -11.936 6.943 1.00 6.73 H new ATOM 0 HG21 ILE A 66 6.518 -14.426 8.720 1.00 7.45 H new ATOM 0 HG22 ILE A 66 7.687 -15.078 7.548 1.00 7.45 H new ATOM 0 HG23 ILE A 66 7.656 -13.333 7.896 1.00 7.45 H new ATOM 0 HD11 ILE A 66 3.187 -11.990 6.520 1.00 7.56 H new ATOM 0 HD12 ILE A 66 4.077 -12.679 5.141 1.00 7.56 H new ATOM 0 HD13 ILE A 66 3.251 -13.754 6.293 1.00 7.56 H new ATOM 1200 N SER A 67 5.248 -13.292 3.488 1.00 5.44 N ATOM 1201 CA SER A 67 4.407 -13.556 2.325 1.00 5.98 C ATOM 1202 C SER A 67 3.401 -14.682 2.592 1.00 7.11 C ATOM 1203 O SER A 67 2.323 -14.438 3.142 1.00 7.59 O ATOM 1204 CB SER A 67 5.292 -13.856 1.120 1.00 6.10 C ATOM 1205 OG SER A 67 4.529 -14.091 -0.050 1.00 6.60 O ATOM 0 H SER A 67 5.258 -12.311 3.766 1.00 5.44 H new ATOM 0 HA SER A 67 3.814 -12.667 2.111 1.00 5.98 H new ATOM 0 HB2 SER A 67 5.969 -13.019 0.950 1.00 6.10 H new ATOM 0 HB3 SER A 67 5.910 -14.728 1.332 1.00 6.10 H new ATOM 0 HG SER A 67 5.131 -14.278 -0.801 1.00 6.60 H new ATOM 1211 N ALA A 68 3.750 -15.904 2.216 1.00 7.74 N ATOM 1212 CA ALA A 68 2.912 -17.053 2.496 1.00 8.91 C ATOM 1213 C ALA A 68 3.127 -17.503 3.928 1.00 9.09 C ATOM 1214 O ALA A 68 4.239 -17.874 4.304 1.00 8.87 O ATOM 1215 CB ALA A 68 3.216 -18.185 1.523 1.00 9.69 C ATOM 0 H ALA A 68 4.611 -16.122 1.715 1.00 7.74 H new ATOM 0 HA ALA A 68 1.867 -16.772 2.368 1.00 8.91 H new ATOM 0 HB1 ALA A 68 2.578 -19.039 1.748 1.00 9.69 H new ATOM 0 HB2 ALA A 68 3.027 -17.849 0.503 1.00 9.69 H new ATOM 0 HB3 ALA A 68 4.261 -18.478 1.620 1.00 9.69 H new ATOM 1221 N LEU A 69 2.052 -17.458 4.712 1.00 9.69 N ATOM 1222 CA LEU A 69 2.080 -17.835 6.123 1.00 10.15 C ATOM 1223 C LEU A 69 2.841 -16.804 6.951 1.00 9.38 C ATOM 1224 O LEU A 69 4.068 -16.729 6.902 1.00 9.52 O ATOM 1225 CB LEU A 69 2.695 -19.225 6.312 1.00 10.80 C ATOM 1226 CG LEU A 69 2.048 -20.331 5.484 1.00 11.70 C ATOM 1227 CD1 LEU A 69 2.796 -21.640 5.672 1.00 12.35 C ATOM 1228 CD2 LEU A 69 0.581 -20.490 5.856 1.00 12.59 C ATOM 0 H LEU A 69 1.134 -17.158 4.385 1.00 9.69 H new ATOM 0 HA LEU A 69 1.049 -17.866 6.474 1.00 10.15 H new ATOM 0 HB2 LEU A 69 3.754 -19.175 6.060 1.00 10.80 H new ATOM 0 HB3 LEU A 69 2.630 -19.495 7.366 1.00 10.80 H new ATOM 0 HG LEU A 69 2.103 -20.052 4.432 1.00 11.70 H new ATOM 0 HD11 LEU A 69 2.322 -22.419 5.075 1.00 12.35 H new ATOM 0 HD12 LEU A 69 3.831 -21.517 5.352 1.00 12.35 H new ATOM 0 HD13 LEU A 69 2.773 -21.925 6.724 1.00 12.35 H new ATOM 0 HD21 LEU A 69 0.137 -21.283 5.255 1.00 12.59 H new ATOM 0 HD22 LEU A 69 0.499 -20.746 6.912 1.00 12.59 H new ATOM 0 HD23 LEU A 69 0.054 -19.554 5.668 1.00 12.59 H new ATOM 1240 N SER A 70 2.102 -16.011 7.707 1.00 8.79 N ATOM 1241 CA SER A 70 2.691 -15.009 8.579 1.00 8.22 C ATOM 1242 C SER A 70 3.252 -15.665 9.831 1.00 8.84 C ATOM 1243 O SER A 70 4.257 -15.223 10.390 1.00 8.93 O ATOM 1244 CB SER A 70 1.637 -13.966 8.948 1.00 8.19 C ATOM 1245 OG SER A 70 0.413 -14.590 9.302 1.00 7.74 O ATOM 0 H SER A 70 1.083 -16.043 7.734 1.00 8.79 H new ATOM 0 HA SER A 70 3.509 -14.515 8.055 1.00 8.22 H new ATOM 0 HB2 SER A 70 1.995 -13.359 9.780 1.00 8.19 H new ATOM 0 HB3 SER A 70 1.477 -13.291 8.107 1.00 8.19 H new ATOM 0 HG SER A 70 -0.248 -13.905 9.536 1.00 7.74 H new ATOM 1251 N SER A 71 2.607 -16.743 10.251 1.00 9.47 N ATOM 1252 CA SER A 71 3.004 -17.454 11.449 1.00 10.26 C ATOM 1253 C SER A 71 3.863 -18.669 11.109 1.00 10.85 C ATOM 1254 O SER A 71 3.788 -19.702 11.773 1.00 11.64 O ATOM 1255 CB SER A 71 1.759 -17.873 12.236 1.00 11.01 C ATOM 1256 OG SER A 71 0.760 -18.399 11.372 1.00 11.01 O ATOM 0 H SER A 71 1.800 -17.144 9.773 1.00 9.47 H new ATOM 0 HA SER A 71 3.607 -16.788 12.066 1.00 10.26 H new ATOM 0 HB2 SER A 71 2.031 -18.621 12.981 1.00 11.01 H new ATOM 0 HB3 SER A 71 1.361 -17.014 12.777 1.00 11.01 H new ATOM 0 HG SER A 71 -0.024 -18.661 11.899 1.00 11.01 H new ATOM 1262 N GLN A 72 4.686 -18.534 10.080 1.00 10.63 N ATOM 1263 CA GLN A 72 5.610 -19.592 9.704 1.00 11.35 C ATOM 1264 C GLN A 72 6.729 -19.699 10.733 1.00 12.08 C ATOM 1265 O GLN A 72 7.312 -18.693 11.144 1.00 12.07 O ATOM 1266 CB GLN A 72 6.190 -19.336 8.308 1.00 11.11 C ATOM 1267 CG GLN A 72 6.802 -17.955 8.138 1.00 10.22 C ATOM 1268 CD GLN A 72 7.405 -17.748 6.764 1.00 10.42 C ATOM 1269 OE1 GLN A 72 8.592 -17.989 6.547 1.00 10.46 O ATOM 1270 NE2 GLN A 72 6.589 -17.304 5.829 1.00 10.77 N ATOM 0 H GLN A 72 4.733 -17.703 9.491 1.00 10.63 H new ATOM 0 HA GLN A 72 5.064 -20.535 9.677 1.00 11.35 H new ATOM 0 HB2 GLN A 72 6.951 -20.088 8.098 1.00 11.11 H new ATOM 0 HB3 GLN A 72 5.400 -19.466 7.568 1.00 11.11 H new ATOM 0 HG2 GLN A 72 6.036 -17.199 8.312 1.00 10.22 H new ATOM 0 HG3 GLN A 72 7.573 -17.808 8.894 1.00 10.22 H new ATOM 0 HE21 GLN A 72 5.611 -17.117 6.052 1.00 10.77 H new ATOM 0 HE22 GLN A 72 6.935 -17.148 4.882 1.00 10.77 H new ATOM 1279 N LYS A 73 7.008 -20.918 11.165 1.00 12.85 N ATOM 1280 CA LYS A 73 8.055 -21.153 12.147 1.00 13.68 C ATOM 1281 C LYS A 73 9.407 -21.253 11.463 1.00 14.18 C ATOM 1282 O LYS A 73 9.632 -22.136 10.630 1.00 14.47 O ATOM 1283 CB LYS A 73 7.780 -22.424 12.960 1.00 14.41 C ATOM 1284 CG LYS A 73 6.877 -22.212 14.170 1.00 14.85 C ATOM 1285 CD LYS A 73 5.462 -21.801 13.780 1.00 14.25 C ATOM 1286 CE LYS A 73 4.751 -22.888 12.990 1.00 14.52 C ATOM 1287 NZ LYS A 73 4.661 -24.168 13.745 1.00 14.92 N ATOM 0 H LYS A 73 6.525 -21.760 10.852 1.00 12.85 H new ATOM 0 HA LYS A 73 8.065 -20.307 12.834 1.00 13.68 H new ATOM 0 HB2 LYS A 73 7.324 -23.167 12.307 1.00 14.41 H new ATOM 0 HB3 LYS A 73 8.730 -22.837 13.298 1.00 14.41 H new ATOM 0 HG2 LYS A 73 6.836 -23.131 14.754 1.00 14.85 H new ATOM 0 HG3 LYS A 73 7.310 -21.445 14.812 1.00 14.85 H new ATOM 0 HD2 LYS A 73 4.890 -21.573 14.679 1.00 14.25 H new ATOM 0 HD3 LYS A 73 5.500 -20.888 13.187 1.00 14.25 H new ATOM 0 HE2 LYS A 73 3.747 -22.549 12.732 1.00 14.52 H new ATOM 0 HE3 LYS A 73 5.281 -23.058 12.053 1.00 14.52 H new ATOM 0 HZ1 LYS A 73 3.988 -24.804 13.271 1.00 14.92 H new ATOM 0 HZ2 LYS A 73 5.598 -24.618 13.778 1.00 14.92 H new ATOM 0 HZ3 LYS A 73 4.334 -23.977 14.714 1.00 14.92 H new ATOM 1301 N LYS A 74 10.295 -20.340 11.806 1.00 14.42 N ATOM 1302 CA LYS A 74 11.615 -20.285 11.209 1.00 15.05 C ATOM 1303 C LYS A 74 12.626 -19.847 12.258 1.00 16.04 C ATOM 1304 O LYS A 74 12.687 -18.637 12.554 1.00 16.42 O ATOM 1305 CB LYS A 74 11.622 -19.311 10.033 1.00 14.62 C ATOM 1306 CG LYS A 74 12.895 -19.357 9.210 1.00 13.81 C ATOM 1307 CD LYS A 74 12.977 -18.172 8.263 1.00 13.84 C ATOM 1308 CE LYS A 74 13.164 -16.869 9.025 1.00 13.62 C ATOM 1309 NZ LYS A 74 12.801 -15.684 8.205 1.00 13.67 N ATOM 1310 OXT LYS A 74 13.349 -20.712 12.788 1.00 16.53 O ATOM 0 H LYS A 74 10.122 -19.617 12.505 1.00 14.42 H new ATOM 0 HA LYS A 74 11.884 -21.275 10.840 1.00 15.05 H new ATOM 0 HB2 LYS A 74 10.773 -19.531 9.385 1.00 14.62 H new ATOM 0 HB3 LYS A 74 11.481 -18.298 10.411 1.00 14.62 H new ATOM 0 HG2 LYS A 74 13.760 -19.357 9.873 1.00 13.81 H new ATOM 0 HG3 LYS A 74 12.930 -20.285 8.640 1.00 13.81 H new ATOM 0 HD2 LYS A 74 13.807 -18.313 7.571 1.00 13.84 H new ATOM 0 HD3 LYS A 74 12.068 -18.119 7.664 1.00 13.84 H new ATOM 0 HE2 LYS A 74 12.552 -16.886 9.927 1.00 13.62 H new ATOM 0 HE3 LYS A 74 14.202 -16.783 9.346 1.00 13.62 H new ATOM 0 HZ1 LYS A 74 12.944 -14.818 8.764 1.00 13.67 H new ATOM 0 HZ2 LYS A 74 13.402 -15.652 7.357 1.00 13.67 H new ATOM 0 HZ3 LYS A 74 11.803 -15.752 7.920 1.00 13.67 H new TER 1324 LYS A 74