USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 587 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 46 HIS : no HD1:sc= -3.38! K(o=-3.4!,f=-1.3) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0229 X(o=-0.023,f=-0.45) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.476 K(o=0.48,f=-2.3!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 37 TYR OH : rot 91:sc= 0.14 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.044) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 0.151 (180deg=0.0999) USER MOD Single : A 53 GLN : amide:sc= -0.0946 K(o=-0.095,f=-1.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot -20:sc= -3.43 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= -1.07 (180deg=-1.11) USER MOD Single : A 78 TYR OH : rot 129:sc= 0.33 USER MOD Single : A 80 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.241) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -1.693 13.361 3.295 1.00 31.40 N ATOM 2 CA ASN A 10 -0.911 12.195 2.904 1.00 50.00 C ATOM 3 C ASN A 10 -1.423 10.938 3.601 1.00 41.10 C ATOM 4 O ASN A 10 -1.415 9.850 3.025 1.00 3.33 O ATOM 5 CB ASN A 10 0.567 12.410 3.238 1.00 53.30 C ATOM 6 CG ASN A 10 1.078 13.753 2.755 1.00 53.20 C ATOM 7 OD1 ASN A 10 0.866 14.134 1.603 1.00 61.10 O ATOM 8 ND2 ASN A 10 1.757 14.479 3.635 1.00 1.35 N ATOM 0 HA ASN A 10 -1.018 12.062 1.827 1.00 50.00 H new ATOM 0 HB2 ASN A 10 0.708 12.337 4.316 1.00 53.30 H new ATOM 0 HB3 ASN A 10 1.159 11.615 2.785 1.00 53.30 H new ATOM 0 HD21 ASN A 10 2.126 15.391 3.367 1.00 1.35 H new ATOM 0 HD22 ASN A 10 1.909 14.125 4.579 1.00 1.35 H new ATOM 15 N LEU A 11 -1.868 11.096 4.843 1.00 20.30 N ATOM 16 CA LEU A 11 -2.384 9.974 5.618 1.00 61.00 C ATOM 17 C LEU A 11 -3.720 9.495 5.059 1.00 40.50 C ATOM 18 O LEU A 11 -3.939 8.296 4.889 1.00 42.40 O ATOM 19 CB LEU A 11 -2.546 10.373 7.086 1.00 2.12 C ATOM 20 CG LEU A 11 -3.095 9.275 7.999 1.00 45.20 C ATOM 21 CD1 LEU A 11 -1.962 8.423 8.550 1.00 5.34 C ATOM 22 CD2 LEU A 11 -3.908 9.883 9.132 1.00 33.20 C ATOM 0 H LEU A 11 -1.882 11.990 5.334 1.00 20.30 H new ATOM 0 HA LEU A 11 -1.667 9.156 5.548 1.00 61.00 H new ATOM 0 HB2 LEU A 11 -1.577 10.692 7.469 1.00 2.12 H new ATOM 0 HB3 LEU A 11 -3.210 11.236 7.141 1.00 2.12 H new ATOM 0 HG LEU A 11 -3.751 8.633 7.411 1.00 45.20 H new ATOM 0 HD11 LEU A 11 -2.372 7.647 9.197 1.00 5.34 H new ATOM 0 HD12 LEU A 11 -1.421 7.959 7.725 1.00 5.34 H new ATOM 0 HD13 LEU A 11 -1.280 9.051 9.123 1.00 5.34 H new ATOM 0 HD21 LEU A 11 -4.291 9.088 9.772 1.00 33.20 H new ATOM 0 HD22 LEU A 11 -3.274 10.548 9.719 1.00 33.20 H new ATOM 0 HD23 LEU A 11 -4.742 10.449 8.718 1.00 33.20 H new ATOM 34 N GLN A 12 -4.610 10.440 4.775 1.00 42.50 N ATOM 35 CA GLN A 12 -5.925 10.115 4.235 1.00 31.30 C ATOM 36 C GLN A 12 -5.800 9.389 2.900 1.00 72.40 C ATOM 37 O GLN A 12 -6.621 8.534 2.567 1.00 30.50 O ATOM 38 CB GLN A 12 -6.757 11.386 4.062 1.00 65.40 C ATOM 39 CG GLN A 12 -8.227 11.118 3.785 1.00 61.40 C ATOM 40 CD GLN A 12 -9.045 10.985 5.055 1.00 52.40 C ATOM 41 OE1 GLN A 12 -9.302 9.879 5.529 1.00 71.20 O ATOM 42 NE2 GLN A 12 -9.459 12.117 5.613 1.00 22.30 N ATOM 0 H GLN A 12 -4.444 11.437 4.910 1.00 42.50 H new ATOM 0 HA GLN A 12 -6.427 9.454 4.942 1.00 31.30 H new ATOM 0 HB2 GLN A 12 -6.670 11.992 4.964 1.00 65.40 H new ATOM 0 HB3 GLN A 12 -6.343 11.973 3.242 1.00 65.40 H new ATOM 0 HG2 GLN A 12 -8.632 11.929 3.179 1.00 61.40 H new ATOM 0 HG3 GLN A 12 -8.322 10.204 3.199 1.00 61.40 H new ATOM 0 HE21 GLN A 12 -9.223 13.012 5.186 1.00 22.30 H new ATOM 0 HE22 GLN A 12 -10.013 12.091 6.469 1.00 22.30 H new ATOM 51 N LYS A 13 -4.767 9.735 2.138 1.00 43.10 N ATOM 52 CA LYS A 13 -4.534 9.116 0.839 1.00 64.40 C ATOM 53 C LYS A 13 -4.021 7.689 1.000 1.00 73.50 C ATOM 54 O LYS A 13 -4.304 6.820 0.175 1.00 42.40 O ATOM 55 CB LYS A 13 -3.533 9.942 0.029 1.00 11.10 C ATOM 56 CG LYS A 13 -3.263 9.383 -1.358 1.00 64.00 C ATOM 57 CD LYS A 13 -4.537 9.303 -2.184 1.00 33.30 C ATOM 58 CE LYS A 13 -4.235 9.266 -3.673 1.00 1.21 C ATOM 59 NZ LYS A 13 -5.236 10.034 -4.463 1.00 52.40 N ATOM 0 H LYS A 13 -4.078 10.441 2.398 1.00 43.10 H new ATOM 0 HA LYS A 13 -5.484 9.083 0.305 1.00 64.40 H new ATOM 0 HB2 LYS A 13 -3.908 10.961 -0.066 1.00 11.10 H new ATOM 0 HB3 LYS A 13 -2.593 9.998 0.578 1.00 11.10 H new ATOM 0 HG2 LYS A 13 -2.535 10.013 -1.870 1.00 64.00 H new ATOM 0 HG3 LYS A 13 -2.821 8.390 -1.272 1.00 64.00 H new ATOM 0 HD2 LYS A 13 -5.098 8.412 -1.903 1.00 33.30 H new ATOM 0 HD3 LYS A 13 -5.170 10.162 -1.962 1.00 33.30 H new ATOM 0 HE2 LYS A 13 -3.241 9.675 -3.852 1.00 1.21 H new ATOM 0 HE3 LYS A 13 -4.220 8.231 -4.015 1.00 1.21 H new ATOM 0 HZ1 LYS A 13 -4.994 9.984 -5.473 1.00 52.40 H new ATOM 0 HZ2 LYS A 13 -6.182 9.628 -4.313 1.00 52.40 H new ATOM 0 HZ3 LYS A 13 -5.233 11.027 -4.155 1.00 52.40 H new ATOM 73 N ALA A 14 -3.264 7.454 2.067 1.00 23.40 N ATOM 74 CA ALA A 14 -2.712 6.133 2.336 1.00 72.40 C ATOM 75 C ALA A 14 -3.805 5.156 2.757 1.00 2.11 C ATOM 76 O ALA A 14 -3.766 3.977 2.405 1.00 2.14 O ATOM 77 CB ALA A 14 -1.637 6.219 3.410 1.00 71.40 C ATOM 0 H ALA A 14 -3.019 8.162 2.759 1.00 23.40 H new ATOM 0 HA ALA A 14 -2.263 5.760 1.416 1.00 72.40 H new ATOM 0 HB1 ALA A 14 -1.233 5.225 3.601 1.00 71.40 H new ATOM 0 HB2 ALA A 14 -0.837 6.877 3.072 1.00 71.40 H new ATOM 0 HB3 ALA A 14 -2.070 6.617 4.328 1.00 71.40 H new ATOM 83 N ILE A 15 -4.778 5.655 3.511 1.00 42.30 N ATOM 84 CA ILE A 15 -5.883 4.826 3.980 1.00 2.34 C ATOM 85 C ILE A 15 -6.904 4.594 2.872 1.00 63.50 C ATOM 86 O ILE A 15 -7.487 3.515 2.767 1.00 61.00 O ATOM 87 CB ILE A 15 -6.591 5.464 5.190 1.00 40.30 C ATOM 88 CG1 ILE A 15 -5.565 5.895 6.240 1.00 51.00 C ATOM 89 CG2 ILE A 15 -7.596 4.492 5.789 1.00 74.10 C ATOM 90 CD1 ILE A 15 -6.121 6.856 7.268 1.00 54.10 C ATOM 0 H ILE A 15 -4.824 6.629 3.811 1.00 42.30 H new ATOM 0 HA ILE A 15 -5.455 3.870 4.282 1.00 2.34 H new ATOM 0 HB ILE A 15 -7.130 6.349 4.852 1.00 40.30 H new ATOM 0 HG12 ILE A 15 -5.185 5.010 6.750 1.00 51.00 H new ATOM 0 HG13 ILE A 15 -4.718 6.362 5.738 1.00 51.00 H new ATOM 0 HG21 ILE A 15 -8.088 4.958 6.643 1.00 74.10 H new ATOM 0 HG22 ILE A 15 -8.342 4.231 5.038 1.00 74.10 H new ATOM 0 HG23 ILE A 15 -7.079 3.590 6.116 1.00 74.10 H new ATOM 0 HD11 ILE A 15 -5.339 7.119 7.981 1.00 54.10 H new ATOM 0 HD12 ILE A 15 -6.475 7.758 6.769 1.00 54.10 H new ATOM 0 HD13 ILE A 15 -6.950 6.384 7.796 1.00 54.10 H new ATOM 102 N ASP A 16 -7.117 5.615 2.047 1.00 1.13 N ATOM 103 CA ASP A 16 -8.069 5.522 0.946 1.00 32.10 C ATOM 104 C ASP A 16 -7.669 4.419 -0.028 1.00 12.40 C ATOM 105 O ASP A 16 -8.505 3.629 -0.464 1.00 51.10 O ATOM 106 CB ASP A 16 -8.161 6.860 0.210 1.00 10.30 C ATOM 107 CG ASP A 16 -9.518 7.076 -0.430 1.00 50.00 C ATOM 108 OD1 ASP A 16 -9.783 6.457 -1.482 1.00 23.40 O ATOM 109 OD2 ASP A 16 -10.310 7.863 0.121 1.00 15.40 O ATOM 0 H ASP A 16 -6.643 6.515 2.120 1.00 1.13 H new ATOM 0 HA ASP A 16 -9.046 5.276 1.363 1.00 32.10 H new ATOM 0 HB2 ASP A 16 -7.959 7.671 0.910 1.00 10.30 H new ATOM 0 HB3 ASP A 16 -7.389 6.903 -0.558 1.00 10.30 H new ATOM 114 N LEU A 17 -6.384 4.372 -0.365 1.00 23.30 N ATOM 115 CA LEU A 17 -5.872 3.366 -1.288 1.00 43.10 C ATOM 116 C LEU A 17 -5.852 1.988 -0.634 1.00 41.40 C ATOM 117 O LEU A 17 -6.123 0.978 -1.283 1.00 15.10 O ATOM 118 CB LEU A 17 -4.466 3.742 -1.757 1.00 40.30 C ATOM 119 CG LEU A 17 -4.397 4.946 -2.698 1.00 24.10 C ATOM 120 CD1 LEU A 17 -3.096 5.707 -2.496 1.00 25.30 C ATOM 121 CD2 LEU A 17 -4.536 4.499 -4.145 1.00 62.10 C ATOM 0 H LEU A 17 -5.679 5.019 -0.013 1.00 23.30 H new ATOM 0 HA LEU A 17 -6.537 3.329 -2.151 1.00 43.10 H new ATOM 0 HB2 LEU A 17 -3.851 3.949 -0.881 1.00 40.30 H new ATOM 0 HB3 LEU A 17 -4.025 2.881 -2.260 1.00 40.30 H new ATOM 0 HG LEU A 17 -5.225 5.615 -2.464 1.00 24.10 H new ATOM 0 HD11 LEU A 17 -3.064 6.560 -3.174 1.00 25.30 H new ATOM 0 HD12 LEU A 17 -3.037 6.059 -1.466 1.00 25.30 H new ATOM 0 HD13 LEU A 17 -2.253 5.048 -2.703 1.00 25.30 H new ATOM 0 HD21 LEU A 17 -4.485 5.368 -4.801 1.00 62.10 H new ATOM 0 HD22 LEU A 17 -3.728 3.810 -4.392 1.00 62.10 H new ATOM 0 HD23 LEU A 17 -5.495 3.998 -4.281 1.00 62.10 H new ATOM 133 N ALA A 18 -5.528 1.955 0.655 1.00 25.10 N ATOM 134 CA ALA A 18 -5.472 0.702 1.397 1.00 71.10 C ATOM 135 C ALA A 18 -6.824 -0.002 1.388 1.00 4.30 C ATOM 136 O ALA A 18 -6.903 -1.215 1.193 1.00 24.20 O ATOM 137 CB ALA A 18 -5.015 0.955 2.826 1.00 75.20 C ATOM 0 H ALA A 18 -5.300 2.782 1.207 1.00 25.10 H new ATOM 0 HA ALA A 18 -4.749 0.050 0.907 1.00 71.10 H new ATOM 0 HB1 ALA A 18 -4.978 0.010 3.369 1.00 75.20 H new ATOM 0 HB2 ALA A 18 -4.023 1.407 2.816 1.00 75.20 H new ATOM 0 HB3 ALA A 18 -5.716 1.629 3.318 1.00 75.20 H new ATOM 143 N SER A 19 -7.887 0.767 1.602 1.00 23.20 N ATOM 144 CA SER A 19 -9.238 0.217 1.619 1.00 3.51 C ATOM 145 C SER A 19 -9.643 -0.274 0.233 1.00 50.40 C ATOM 146 O SER A 19 -10.220 -1.349 0.089 1.00 5.42 O ATOM 147 CB SER A 19 -10.230 1.268 2.112 1.00 63.10 C ATOM 148 OG SER A 19 -10.410 1.184 3.515 1.00 33.40 O ATOM 0 H SER A 19 -7.839 1.773 1.766 1.00 23.20 H new ATOM 0 HA SER A 19 -9.251 -0.632 2.302 1.00 3.51 H new ATOM 0 HB2 SER A 19 -9.871 2.263 1.848 1.00 63.10 H new ATOM 0 HB3 SER A 19 -11.188 1.131 1.611 1.00 63.10 H new ATOM 0 HG SER A 19 -11.048 1.869 3.804 1.00 33.40 H new ATOM 154 N LYS A 20 -9.331 0.522 -0.785 1.00 30.00 N ATOM 155 CA LYS A 20 -9.663 0.168 -2.161 1.00 5.31 C ATOM 156 C LYS A 20 -8.823 -1.013 -2.637 1.00 55.30 C ATOM 157 O LYS A 20 -9.324 -1.909 -3.316 1.00 62.30 O ATOM 158 CB LYS A 20 -9.446 1.368 -3.084 1.00 75.50 C ATOM 159 CG LYS A 20 -10.320 1.352 -4.321 1.00 40.10 C ATOM 160 CD LYS A 20 -10.150 2.613 -5.150 1.00 53.30 C ATOM 161 CE LYS A 20 -9.149 2.404 -6.274 1.00 22.10 C ATOM 162 NZ LYS A 20 -8.852 3.671 -6.997 1.00 35.00 N ATOM 0 H LYS A 20 -8.849 1.415 -0.683 1.00 30.00 H new ATOM 0 HA LYS A 20 -10.714 -0.121 -2.192 1.00 5.31 H new ATOM 0 HB2 LYS A 20 -9.639 2.284 -2.526 1.00 75.50 H new ATOM 0 HB3 LYS A 20 -8.400 1.395 -3.390 1.00 75.50 H new ATOM 0 HG2 LYS A 20 -10.073 0.482 -4.929 1.00 40.10 H new ATOM 0 HG3 LYS A 20 -11.364 1.249 -4.026 1.00 40.10 H new ATOM 0 HD2 LYS A 20 -11.112 2.909 -5.568 1.00 53.30 H new ATOM 0 HD3 LYS A 20 -9.816 3.429 -4.510 1.00 53.30 H new ATOM 0 HE2 LYS A 20 -8.225 1.994 -5.866 1.00 22.10 H new ATOM 0 HE3 LYS A 20 -9.541 1.669 -6.977 1.00 22.10 H new ATOM 0 HZ1 LYS A 20 -8.165 3.485 -7.756 1.00 35.00 H new ATOM 0 HZ2 LYS A 20 -9.729 4.049 -7.409 1.00 35.00 H new ATOM 0 HZ3 LYS A 20 -8.454 4.365 -6.332 1.00 35.00 H new ATOM 176 N ALA A 21 -7.544 -1.006 -2.277 1.00 22.10 N ATOM 177 CA ALA A 21 -6.635 -2.077 -2.667 1.00 71.20 C ATOM 178 C ALA A 21 -7.110 -3.423 -2.132 1.00 51.00 C ATOM 179 O ALA A 21 -7.143 -4.415 -2.860 1.00 72.50 O ATOM 180 CB ALA A 21 -5.227 -1.778 -2.175 1.00 61.40 C ATOM 0 H ALA A 21 -7.114 -0.271 -1.716 1.00 22.10 H new ATOM 0 HA ALA A 21 -6.624 -2.133 -3.756 1.00 71.20 H new ATOM 0 HB1 ALA A 21 -4.558 -2.586 -2.473 1.00 61.40 H new ATOM 0 HB2 ALA A 21 -4.881 -0.841 -2.611 1.00 61.40 H new ATOM 0 HB3 ALA A 21 -5.232 -1.693 -1.088 1.00 61.40 H new ATOM 186 N ALA A 22 -7.478 -3.450 -0.855 1.00 53.10 N ATOM 187 CA ALA A 22 -7.952 -4.675 -0.223 1.00 12.20 C ATOM 188 C ALA A 22 -9.193 -5.212 -0.927 1.00 52.20 C ATOM 189 O ALA A 22 -9.351 -6.422 -1.091 1.00 64.20 O ATOM 190 CB ALA A 22 -8.244 -4.429 1.250 1.00 55.00 C ATOM 0 H ALA A 22 -7.457 -2.638 -0.238 1.00 53.10 H new ATOM 0 HA ALA A 22 -7.166 -5.425 -0.307 1.00 12.20 H new ATOM 0 HB1 ALA A 22 -8.597 -5.352 1.710 1.00 55.00 H new ATOM 0 HB2 ALA A 22 -7.334 -4.099 1.751 1.00 55.00 H new ATOM 0 HB3 ALA A 22 -9.010 -3.660 1.345 1.00 55.00 H new ATOM 196 N GLN A 23 -10.070 -4.305 -1.343 1.00 41.20 N ATOM 197 CA GLN A 23 -11.290 -4.688 -2.031 1.00 31.20 C ATOM 198 C GLN A 23 -11.000 -5.103 -3.470 1.00 60.50 C ATOM 199 O GLN A 23 -11.690 -5.956 -4.030 1.00 71.30 O ATOM 200 CB GLN A 23 -12.290 -3.531 -2.013 1.00 11.40 C ATOM 201 CG GLN A 23 -12.910 -3.282 -0.646 1.00 62.10 C ATOM 202 CD GLN A 23 -14.380 -2.904 -0.729 1.00 64.40 C ATOM 203 OE1 GLN A 23 -14.820 -2.300 -1.705 1.00 1.15 O ATOM 204 NE2 GLN A 23 -15.140 -3.259 0.299 1.00 52.30 N ATOM 0 H GLN A 23 -9.956 -3.300 -1.214 1.00 41.20 H new ATOM 0 HA GLN A 23 -11.720 -5.542 -1.508 1.00 31.20 H new ATOM 0 HB2 GLN A 23 -11.788 -2.623 -2.346 1.00 11.40 H new ATOM 0 HB3 GLN A 23 -13.084 -3.737 -2.731 1.00 11.40 H new ATOM 0 HG2 GLN A 23 -12.803 -4.178 -0.035 1.00 62.10 H new ATOM 0 HG3 GLN A 23 -12.362 -2.485 -0.143 1.00 62.10 H new ATOM 0 HE21 GLN A 23 -14.730 -3.760 1.088 1.00 52.30 H new ATOM 0 HE22 GLN A 23 -16.134 -3.031 0.301 1.00 52.30 H new ATOM 213 N GLU A 24 -9.987 -4.493 -4.062 1.00 64.40 N ATOM 214 CA GLU A 24 -9.607 -4.799 -5.436 1.00 62.30 C ATOM 215 C GLU A 24 -9.194 -6.261 -5.574 1.00 72.30 C ATOM 216 O GLU A 24 -9.707 -6.984 -6.428 1.00 13.30 O ATOM 217 CB GLU A 24 -8.463 -3.889 -5.886 1.00 51.20 C ATOM 218 CG GLU A 24 -8.915 -2.493 -6.280 1.00 42.30 C ATOM 219 CD GLU A 24 -9.496 -2.441 -7.679 1.00 32.00 C ATOM 220 OE1 GLU A 24 -9.035 -3.217 -8.542 1.00 21.50 O ATOM 221 OE2 GLU A 24 -10.410 -1.624 -7.912 1.00 23.10 O ATOM 0 H GLU A 24 -9.410 -3.781 -3.614 1.00 64.40 H new ATOM 0 HA GLU A 24 -10.474 -4.623 -6.073 1.00 62.30 H new ATOM 0 HB2 GLU A 24 -7.733 -3.812 -5.080 1.00 51.20 H new ATOM 0 HB3 GLU A 24 -7.955 -4.350 -6.733 1.00 51.20 H new ATOM 0 HG2 GLU A 24 -9.662 -2.142 -5.567 1.00 42.30 H new ATOM 0 HG3 GLU A 24 -8.068 -1.810 -6.217 1.00 42.30 H new ATOM 228 N ASP A 25 -8.264 -6.690 -4.726 1.00 61.40 N ATOM 229 CA ASP A 25 -7.782 -8.066 -4.753 1.00 32.30 C ATOM 230 C ASP A 25 -8.922 -9.047 -4.499 1.00 32.40 C ATOM 231 O ASP A 25 -9.117 -9.997 -5.257 1.00 11.40 O ATOM 232 CB ASP A 25 -6.681 -8.264 -3.709 1.00 12.40 C ATOM 233 CG ASP A 25 -5.966 -9.591 -3.867 1.00 13.40 C ATOM 234 OD1 ASP A 25 -5.166 -9.725 -4.816 1.00 11.40 O ATOM 235 OD2 ASP A 25 -6.207 -10.490 -3.041 1.00 43.10 O ATOM 0 H ASP A 25 -7.830 -6.105 -4.012 1.00 61.40 H new ATOM 0 HA ASP A 25 -7.372 -8.261 -5.744 1.00 32.30 H new ATOM 0 HB2 ASP A 25 -5.957 -7.453 -3.790 1.00 12.40 H new ATOM 0 HB3 ASP A 25 -7.116 -8.205 -2.711 1.00 12.40 H new ATOM 240 N LYS A 26 -9.672 -8.809 -3.428 1.00 52.10 N ATOM 241 CA LYS A 26 -10.790 -9.671 -3.074 1.00 55.40 C ATOM 242 C LYS A 26 -11.850 -9.668 -4.174 1.00 4.14 C ATOM 243 O LYS A 26 -12.480 -10.690 -4.446 1.00 31.20 O ATOM 244 CB LYS A 26 -11.410 -9.217 -1.752 1.00 5.44 C ATOM 245 CG LYS A 26 -11.920 -10.360 -0.892 1.00 20.30 C ATOM 246 CD LYS A 26 -11.740 -10.060 0.588 1.00 51.20 C ATOM 247 CE LYS A 26 -12.540 -8.849 1.012 1.00 73.40 C ATOM 248 NZ LYS A 26 -11.920 -8.142 2.161 1.00 22.10 N ATOM 0 H LYS A 26 -9.525 -8.026 -2.791 1.00 52.10 H new ATOM 0 HA LYS A 26 -10.412 -10.687 -2.961 1.00 55.40 H new ATOM 0 HB2 LYS A 26 -10.668 -8.653 -1.188 1.00 5.44 H new ATOM 0 HB3 LYS A 26 -12.235 -8.536 -1.963 1.00 5.44 H new ATOM 0 HG2 LYS A 26 -12.975 -10.535 -1.104 1.00 20.30 H new ATOM 0 HG3 LYS A 26 -11.387 -11.276 -1.147 1.00 20.30 H new ATOM 0 HD2 LYS A 26 -12.049 -10.925 1.175 1.00 51.20 H new ATOM 0 HD3 LYS A 26 -10.684 -9.892 0.800 1.00 51.20 H new ATOM 0 HE2 LYS A 26 -12.630 -8.162 0.170 1.00 73.40 H new ATOM 0 HE3 LYS A 26 -13.550 -9.159 1.280 1.00 73.40 H new ATOM 0 HZ1 LYS A 26 -12.502 -7.319 2.417 1.00 22.10 H new ATOM 0 HZ2 LYS A 26 -11.857 -8.788 2.973 1.00 22.10 H new ATOM 0 HZ3 LYS A 26 -10.966 -7.823 1.898 1.00 22.10 H new ATOM 262 N ALA A 27 -12.030 -8.513 -4.805 1.00 60.40 N ATOM 263 CA ALA A 27 -13.010 -8.376 -5.876 1.00 13.40 C ATOM 264 C ALA A 27 -12.570 -9.123 -7.128 1.00 70.00 C ATOM 265 O ALA A 27 -13.390 -9.571 -7.923 1.00 61.40 O ATOM 266 CB ALA A 27 -13.250 -6.907 -6.191 1.00 11.30 C ATOM 0 H ALA A 27 -11.512 -7.660 -4.594 1.00 60.40 H new ATOM 0 HA ALA A 27 -13.945 -8.819 -5.533 1.00 13.40 H new ATOM 0 HB1 ALA A 27 -13.984 -6.822 -6.992 1.00 11.30 H new ATOM 0 HB2 ALA A 27 -13.624 -6.400 -5.301 1.00 11.30 H new ATOM 0 HB3 ALA A 27 -12.314 -6.445 -6.505 1.00 11.30 H new ATOM 272 N GLY A 28 -11.250 -9.254 -7.299 1.00 12.10 N ATOM 273 CA GLY A 28 -10.720 -9.948 -8.458 1.00 4.53 C ATOM 274 C GLY A 28 -9.836 -9.062 -9.308 1.00 15.40 C ATOM 275 O GLY A 28 -9.814 -9.186 -10.530 1.00 34.30 O ATOM 0 H GLY A 28 -10.546 -8.892 -6.656 1.00 12.10 H new ATOM 0 HA2 GLY A 28 -10.150 -10.816 -8.128 1.00 4.53 H new ATOM 0 HA3 GLY A 28 -11.546 -10.321 -9.064 1.00 4.53 H new ATOM 279 N ASN A 29 -9.101 -8.167 -8.657 1.00 70.20 N ATOM 280 CA ASN A 29 -8.203 -7.258 -9.360 1.00 52.40 C ATOM 281 C ASN A 29 -6.823 -7.251 -8.713 1.00 61.20 C ATOM 282 O ASN A 29 -6.572 -6.503 -7.768 1.00 54.00 O ATOM 283 CB ASN A 29 -8.782 -5.842 -9.369 1.00 5.41 C ATOM 284 CG ASN A 29 -9.993 -5.718 -10.270 1.00 43.50 C ATOM 285 OD1 ASN A 29 -10.400 -6.683 -10.910 1.00 34.40 O ATOM 286 ND2 ASN A 29 -10.570 -4.524 -10.320 1.00 50.20 N ATOM 0 H ASN A 29 -9.109 -8.052 -7.644 1.00 70.20 H new ATOM 0 HA ASN A 29 -8.102 -7.608 -10.387 1.00 52.40 H new ATOM 0 HB2 ASN A 29 -9.058 -5.559 -8.353 1.00 5.41 H new ATOM 0 HB3 ASN A 29 -8.015 -5.141 -9.698 1.00 5.41 H new ATOM 0 HD21 ASN A 29 -11.389 -4.378 -10.910 1.00 50.20 H new ATOM 0 HD22 ASN A 29 -10.194 -3.752 -9.769 1.00 50.20 H new ATOM 293 N TYR A 30 -5.931 -8.092 -9.225 1.00 55.50 N ATOM 294 CA TYR A 30 -4.576 -8.186 -8.695 1.00 31.00 C ATOM 295 C TYR A 30 -3.676 -7.119 -9.310 1.00 12.50 C ATOM 296 O TYR A 30 -2.745 -6.634 -8.667 1.00 54.30 O ATOM 297 CB TYR A 30 -3.997 -9.577 -8.963 1.00 54.10 C ATOM 298 CG TYR A 30 -4.480 -10.630 -7.993 1.00 40.30 C ATOM 299 CD1 TYR A 30 -5.819 -10.700 -7.628 1.00 20.20 C ATOM 300 CD2 TYR A 30 -3.597 -11.550 -7.442 1.00 54.10 C ATOM 301 CE1 TYR A 30 -6.263 -11.670 -6.742 1.00 24.20 C ATOM 302 CE2 TYR A 30 -4.033 -12.510 -6.555 1.00 71.30 C ATOM 303 CZ TYR A 30 -5.367 -12.570 -6.208 1.00 70.30 C ATOM 304 OH TYR A 30 -5.805 -13.530 -5.326 1.00 15.10 O ATOM 0 H TYR A 30 -6.122 -8.719 -10.007 1.00 55.50 H new ATOM 0 HA TYR A 30 -4.621 -8.020 -7.619 1.00 31.00 H new ATOM 0 HB2 TYR A 30 -4.258 -9.881 -9.977 1.00 54.10 H new ATOM 0 HB3 TYR A 30 -2.909 -9.524 -8.917 1.00 54.10 H new ATOM 0 HD1 TYR A 30 -6.522 -9.991 -8.039 1.00 20.20 H new ATOM 0 HD2 TYR A 30 -2.552 -11.512 -7.713 1.00 54.10 H new ATOM 0 HE1 TYR A 30 -7.307 -11.720 -6.472 1.00 24.20 H new ATOM 0 HE2 TYR A 30 -3.332 -13.214 -6.132 1.00 71.30 H new ATOM 0 HH TYR A 30 -5.048 -14.085 -5.044 1.00 15.10 H new ATOM 314 N GLU A 31 -3.960 -6.758 -10.550 1.00 13.20 N ATOM 315 CA GLU A 31 -3.176 -5.748 -11.250 1.00 41.10 C ATOM 316 C GLU A 31 -3.360 -4.377 -10.610 1.00 12.40 C ATOM 317 O GLU A 31 -2.389 -3.724 -10.230 1.00 73.30 O ATOM 318 CB GLU A 31 -3.578 -5.692 -12.730 1.00 34.40 C ATOM 319 CG GLU A 31 -2.797 -6.654 -13.610 1.00 11.40 C ATOM 320 CD GLU A 31 -3.012 -6.397 -15.090 1.00 25.30 C ATOM 321 OE1 GLU A 31 -4.032 -5.767 -15.440 1.00 22.40 O ATOM 322 OE2 GLU A 31 -2.161 -6.826 -15.890 1.00 63.20 O ATOM 0 H GLU A 31 -4.728 -7.148 -11.095 1.00 13.20 H new ATOM 0 HA GLU A 31 -2.125 -6.026 -11.177 1.00 41.10 H new ATOM 0 HB2 GLU A 31 -4.641 -5.915 -12.818 1.00 34.40 H new ATOM 0 HB3 GLU A 31 -3.433 -4.677 -13.099 1.00 34.40 H new ATOM 0 HG2 GLU A 31 -1.735 -6.569 -13.381 1.00 11.40 H new ATOM 0 HG3 GLU A 31 -3.093 -7.677 -13.376 1.00 11.40 H new ATOM 329 N GLU A 32 -4.612 -3.946 -10.500 1.00 34.10 N ATOM 330 CA GLU A 32 -4.924 -2.652 -9.904 1.00 34.30 C ATOM 331 C GLU A 32 -4.595 -2.646 -8.415 1.00 72.30 C ATOM 332 O GLU A 32 -4.042 -1.677 -7.895 1.00 23.30 O ATOM 333 CB GLU A 32 -6.401 -2.314 -10.110 1.00 22.40 C ATOM 334 CG GLU A 32 -6.725 -0.844 -9.899 1.00 31.20 C ATOM 335 CD GLU A 32 -6.727 -0.053 -11.190 1.00 45.30 C ATOM 336 OE1 GLU A 32 -7.359 -0.511 -12.160 1.00 32.10 O ATOM 337 OE2 GLU A 32 -6.098 1.025 -11.230 1.00 73.40 O ATOM 0 H GLU A 32 -5.426 -4.473 -10.815 1.00 34.10 H new ATOM 0 HA GLU A 32 -4.313 -1.897 -10.398 1.00 34.30 H new ATOM 0 HB2 GLU A 32 -6.693 -2.600 -11.120 1.00 22.40 H new ATOM 0 HB3 GLU A 32 -7.001 -2.912 -9.424 1.00 22.40 H new ATOM 0 HG2 GLU A 32 -7.702 -0.757 -9.423 1.00 31.20 H new ATOM 0 HG3 GLU A 32 -5.996 -0.411 -9.214 1.00 31.20 H new ATOM 344 N ALA A 33 -4.939 -3.735 -7.734 1.00 25.50 N ATOM 345 CA ALA A 33 -4.679 -3.854 -6.304 1.00 71.20 C ATOM 346 C ALA A 33 -3.185 -3.786 -6.011 1.00 25.00 C ATOM 347 O ALA A 33 -2.764 -3.201 -5.013 1.00 64.20 O ATOM 348 CB ALA A 33 -5.266 -5.152 -5.769 1.00 22.00 C ATOM 0 H ALA A 33 -5.398 -4.546 -8.149 1.00 25.50 H new ATOM 0 HA ALA A 33 -5.159 -3.015 -5.800 1.00 71.20 H new ATOM 0 HB1 ALA A 33 -5.065 -5.229 -4.700 1.00 22.00 H new ATOM 0 HB2 ALA A 33 -6.343 -5.161 -5.937 1.00 22.00 H new ATOM 0 HB3 ALA A 33 -4.811 -5.997 -6.285 1.00 22.00 H new ATOM 354 N LEU A 34 -2.387 -4.388 -6.886 1.00 70.10 N ATOM 355 CA LEU A 34 -0.938 -4.395 -6.721 1.00 15.40 C ATOM 356 C LEU A 34 -0.386 -2.973 -6.708 1.00 34.10 C ATOM 357 O LEU A 34 0.354 -2.591 -5.801 1.00 30.40 O ATOM 358 CB LEU A 34 -0.279 -5.200 -7.843 1.00 43.10 C ATOM 359 CG LEU A 34 1.250 -5.232 -7.805 1.00 24.10 C ATOM 360 CD1 LEU A 34 1.738 -5.869 -6.513 1.00 25.20 C ATOM 361 CD2 LEU A 34 1.796 -5.981 -9.011 1.00 2.21 C ATOM 0 H LEU A 34 -2.719 -4.878 -7.717 1.00 70.10 H new ATOM 0 HA LEU A 34 -0.708 -4.864 -5.764 1.00 15.40 H new ATOM 0 HB2 LEU A 34 -0.650 -6.224 -7.801 1.00 43.10 H new ATOM 0 HB3 LEU A 34 -0.595 -4.786 -8.800 1.00 43.10 H new ATOM 0 HG LEU A 34 1.618 -4.207 -7.842 1.00 24.10 H new ATOM 0 HD11 LEU A 34 2.828 -5.883 -6.503 1.00 25.20 H new ATOM 0 HD12 LEU A 34 1.375 -5.291 -5.663 1.00 25.20 H new ATOM 0 HD13 LEU A 34 1.361 -6.890 -6.446 1.00 25.20 H new ATOM 0 HD21 LEU A 34 2.885 -5.994 -8.968 1.00 2.21 H new ATOM 0 HD22 LEU A 34 1.420 -7.004 -9.005 1.00 2.21 H new ATOM 0 HD23 LEU A 34 1.475 -5.482 -9.925 1.00 2.21 H new ATOM 373 N GLN A 35 -0.751 -2.193 -7.720 1.00 41.10 N ATOM 374 CA GLN A 35 -0.293 -0.812 -7.825 1.00 41.20 C ATOM 375 C GLN A 35 -0.862 0.037 -6.694 1.00 54.40 C ATOM 376 O GLN A 35 -0.232 0.994 -6.245 1.00 3.35 O ATOM 377 CB GLN A 35 -0.698 -0.220 -9.176 1.00 75.20 C ATOM 378 CG GLN A 35 0.250 -0.582 -10.300 1.00 22.30 C ATOM 379 CD GLN A 35 0.401 0.534 -11.320 1.00 53.30 C ATOM 380 OE1 GLN A 35 -0.003 0.398 -12.470 1.00 14.20 O ATOM 381 NE2 GLN A 35 0.985 1.647 -10.890 1.00 23.40 N ATOM 0 H GLN A 35 -1.363 -2.493 -8.479 1.00 41.10 H new ATOM 0 HA GLN A 35 0.794 -0.809 -7.746 1.00 41.20 H new ATOM 0 HB2 GLN A 35 -1.700 -0.566 -9.430 1.00 75.20 H new ATOM 0 HB3 GLN A 35 -0.748 0.865 -9.088 1.00 75.20 H new ATOM 0 HG2 GLN A 35 1.228 -0.822 -9.882 1.00 22.30 H new ATOM 0 HG3 GLN A 35 -0.112 -1.480 -10.801 1.00 22.30 H new ATOM 0 HE21 GLN A 35 1.305 1.714 -9.924 1.00 23.40 H new ATOM 0 HE22 GLN A 35 1.113 2.434 -11.526 1.00 23.40 H new ATOM 390 N LEU A 36 -2.059 -0.320 -6.237 1.00 32.10 N ATOM 391 CA LEU A 36 -2.713 0.410 -5.157 1.00 10.50 C ATOM 392 C LEU A 36 -2.075 0.079 -3.812 1.00 14.50 C ATOM 393 O LEU A 36 -1.890 0.957 -2.969 1.00 30.40 O ATOM 394 CB LEU A 36 -4.206 0.079 -5.122 1.00 60.40 C ATOM 395 CG LEU A 36 -5.037 0.714 -6.239 1.00 14.40 C ATOM 396 CD1 LEU A 36 -6.235 -0.160 -6.575 1.00 32.10 C ATOM 397 CD2 LEU A 36 -5.488 2.110 -5.838 1.00 42.10 C ATOM 0 H LEU A 36 -2.595 -1.109 -6.598 1.00 32.10 H new ATOM 0 HA LEU A 36 -2.588 1.476 -5.345 1.00 10.50 H new ATOM 0 HB2 LEU A 36 -4.324 -1.003 -5.173 1.00 60.40 H new ATOM 0 HB3 LEU A 36 -4.611 0.399 -4.162 1.00 60.40 H new ATOM 0 HG LEU A 36 -4.413 0.797 -7.129 1.00 14.40 H new ATOM 0 HD11 LEU A 36 -6.814 0.307 -7.371 1.00 32.10 H new ATOM 0 HD12 LEU A 36 -5.890 -1.140 -6.905 1.00 32.10 H new ATOM 0 HD13 LEU A 36 -6.861 -0.275 -5.690 1.00 32.10 H new ATOM 0 HD21 LEU A 36 -6.078 2.547 -6.644 1.00 42.10 H new ATOM 0 HD22 LEU A 36 -6.095 2.051 -4.935 1.00 42.10 H new ATOM 0 HD23 LEU A 36 -4.615 2.734 -5.648 1.00 42.10 H new ATOM 409 N TYR A 37 -1.742 -1.192 -3.617 1.00 63.50 N ATOM 410 CA TYR A 37 -1.124 -1.639 -2.373 1.00 52.00 C ATOM 411 C TYR A 37 0.193 -0.910 -2.127 1.00 12.50 C ATOM 412 O TYR A 37 0.511 -0.548 -0.994 1.00 73.50 O ATOM 413 CB TYR A 37 -0.884 -3.149 -2.412 1.00 32.10 C ATOM 414 CG TYR A 37 -2.140 -3.968 -2.214 1.00 0.44 C ATOM 415 CD1 TYR A 37 -3.056 -3.643 -1.221 1.00 3.33 C ATOM 416 CD2 TYR A 37 -2.410 -5.067 -3.021 1.00 70.30 C ATOM 417 CE1 TYR A 37 -4.204 -4.390 -1.037 1.00 52.40 C ATOM 418 CE2 TYR A 37 -3.556 -5.818 -2.844 1.00 53.40 C ATOM 419 CZ TYR A 37 -4.449 -5.476 -1.851 1.00 61.00 C ATOM 420 OH TYR A 37 -5.592 -6.222 -1.671 1.00 62.50 O ATOM 0 H TYR A 37 -1.889 -1.931 -4.304 1.00 63.50 H new ATOM 0 HA TYR A 37 -1.806 -1.407 -1.555 1.00 52.00 H new ATOM 0 HB2 TYR A 37 -0.436 -3.412 -3.370 1.00 32.10 H new ATOM 0 HB3 TYR A 37 -0.162 -3.414 -1.639 1.00 32.10 H new ATOM 0 HD1 TYR A 37 -2.868 -2.793 -0.582 1.00 3.33 H new ATOM 0 HD2 TYR A 37 -1.712 -5.338 -3.799 1.00 70.30 H new ATOM 0 HE1 TYR A 37 -4.906 -4.125 -0.260 1.00 52.40 H new ATOM 0 HE2 TYR A 37 -3.751 -6.669 -3.480 1.00 53.40 H new ATOM 0 HH TYR A 37 -6.310 -5.861 -2.232 1.00 62.50 H new ATOM 430 N GLN A 38 0.954 -0.697 -3.195 1.00 22.20 N ATOM 431 CA GLN A 38 2.237 -0.011 -3.094 1.00 1.33 C ATOM 432 C GLN A 38 2.039 1.471 -2.791 1.00 32.10 C ATOM 433 O GLN A 38 2.789 2.061 -2.013 1.00 53.50 O ATOM 434 CB GLN A 38 3.030 -0.176 -4.392 1.00 51.50 C ATOM 435 CG GLN A 38 3.379 -1.620 -4.712 1.00 45.40 C ATOM 436 CD GLN A 38 4.600 -1.741 -5.603 1.00 51.50 C ATOM 437 OE1 GLN A 38 5.735 -1.734 -5.125 1.00 2.10 O ATOM 438 NE2 GLN A 38 4.373 -1.851 -6.906 1.00 71.30 N ATOM 0 H GLN A 38 0.705 -0.989 -4.140 1.00 22.20 H new ATOM 0 HA GLN A 38 2.797 -0.460 -2.274 1.00 1.33 H new ATOM 0 HB2 GLN A 38 2.452 0.241 -5.217 1.00 51.50 H new ATOM 0 HB3 GLN A 38 3.950 0.405 -4.322 1.00 51.50 H new ATOM 0 HG2 GLN A 38 3.557 -2.161 -3.783 1.00 45.40 H new ATOM 0 HG3 GLN A 38 2.529 -2.096 -5.201 1.00 45.40 H new ATOM 0 HE21 GLN A 38 3.416 -1.852 -7.259 1.00 71.30 H new ATOM 0 HE22 GLN A 38 5.156 -1.934 -7.555 1.00 71.30 H new ATOM 447 N HIS A 39 1.024 2.066 -3.409 1.00 33.50 N ATOM 448 CA HIS A 39 0.727 3.479 -3.205 1.00 72.00 C ATOM 449 C HIS A 39 0.408 3.761 -1.741 1.00 62.40 C ATOM 450 O HIS A 39 0.913 4.721 -1.159 1.00 34.30 O ATOM 451 CB HIS A 39 -0.446 3.908 -4.087 1.00 11.10 C ATOM 452 CG HIS A 39 -0.029 4.422 -5.430 1.00 24.30 C ATOM 453 ND1 HIS A 39 -0.892 5.065 -6.292 1.00 45.50 N ATOM 454 CD2 HIS A 39 1.170 4.385 -6.060 1.00 65.40 C ATOM 455 CE1 HIS A 39 -0.244 5.401 -7.393 1.00 41.00 C ATOM 456 NE2 HIS A 39 1.009 5.001 -7.276 1.00 54.30 N ATOM 0 H HIS A 39 0.393 1.592 -4.055 1.00 33.50 H new ATOM 0 HA HIS A 39 1.610 4.054 -3.483 1.00 72.00 H new ATOM 0 HB2 HIS A 39 -1.116 3.059 -4.224 1.00 11.10 H new ATOM 0 HB3 HIS A 39 -1.014 4.682 -3.571 1.00 11.10 H new ATOM 0 HD2 HIS A 39 2.082 3.952 -5.677 1.00 65.40 H new ATOM 0 HE1 HIS A 39 -0.667 5.915 -8.244 1.00 41.00 H new ATOM 0 HE2 HIS A 39 1.739 5.129 -7.976 1.00 54.30 H new ATOM 465 N ALA A 40 -0.434 2.919 -1.151 1.00 21.10 N ATOM 466 CA ALA A 40 -0.821 3.078 0.246 1.00 2.05 C ATOM 467 C ALA A 40 0.395 3.016 1.163 1.00 44.30 C ATOM 468 O ALA A 40 0.516 3.800 2.104 1.00 13.30 O ATOM 469 CB ALA A 40 -1.834 2.012 0.636 1.00 54.40 C ATOM 0 H ALA A 40 -0.861 2.120 -1.619 1.00 21.10 H new ATOM 0 HA ALA A 40 -1.280 4.060 0.361 1.00 2.05 H new ATOM 0 HB1 ALA A 40 -2.115 2.142 1.681 1.00 54.40 H new ATOM 0 HB2 ALA A 40 -2.720 2.105 0.008 1.00 54.40 H new ATOM 0 HB3 ALA A 40 -1.394 1.024 0.498 1.00 54.40 H new ATOM 475 N VAL A 41 1.294 2.078 0.882 1.00 24.20 N ATOM 476 CA VAL A 41 2.502 1.914 1.682 1.00 44.40 C ATOM 477 C VAL A 41 3.412 3.132 1.558 1.00 42.40 C ATOM 478 O VAL A 41 4.069 3.530 2.520 1.00 64.00 O ATOM 479 CB VAL A 41 3.287 0.656 1.265 1.00 31.00 C ATOM 480 CG1 VAL A 41 4.455 0.415 2.209 1.00 22.20 C ATOM 481 CG2 VAL A 41 2.370 -0.558 1.222 1.00 2.21 C ATOM 0 H VAL A 41 1.209 1.421 0.107 1.00 24.20 H new ATOM 0 HA VAL A 41 2.182 1.806 2.718 1.00 44.40 H new ATOM 0 HB VAL A 41 3.686 0.818 0.264 1.00 31.00 H new ATOM 0 HG11 VAL A 41 4.997 -0.478 1.897 1.00 22.20 H new ATOM 0 HG12 VAL A 41 5.126 1.274 2.184 1.00 22.20 H new ATOM 0 HG13 VAL A 41 4.081 0.277 3.223 1.00 22.20 H new ATOM 0 HG21 VAL A 41 2.943 -1.437 0.925 1.00 2.21 H new ATOM 0 HG22 VAL A 41 1.938 -0.723 2.209 1.00 2.21 H new ATOM 0 HG23 VAL A 41 1.571 -0.385 0.501 1.00 2.21 H new ATOM 491 N GLN A 42 3.445 3.720 0.366 1.00 23.20 N ATOM 492 CA GLN A 42 4.274 4.893 0.115 1.00 22.20 C ATOM 493 C GLN A 42 3.816 6.074 0.964 1.00 73.30 C ATOM 494 O GLN A 42 4.623 6.726 1.626 1.00 12.10 O ATOM 495 CB GLN A 42 4.230 5.267 -1.367 1.00 75.20 C ATOM 496 CG GLN A 42 5.296 4.576 -2.201 1.00 42.10 C ATOM 497 CD GLN A 42 6.611 5.330 -2.207 1.00 63.10 C ATOM 498 OE1 GLN A 42 7.440 5.162 -1.313 1.00 42.40 O ATOM 499 NE2 GLN A 42 6.809 6.166 -3.219 1.00 25.30 N ATOM 0 H GLN A 42 2.907 3.403 -0.441 1.00 23.20 H new ATOM 0 HA GLN A 42 5.300 4.648 0.390 1.00 22.20 H new ATOM 0 HB2 GLN A 42 3.248 5.016 -1.767 1.00 75.20 H new ATOM 0 HB3 GLN A 42 4.347 6.346 -1.464 1.00 75.20 H new ATOM 0 HG2 GLN A 42 5.460 3.570 -1.814 1.00 42.10 H new ATOM 0 HG3 GLN A 42 4.938 4.469 -3.225 1.00 42.10 H new ATOM 0 HE21 GLN A 42 6.094 6.274 -3.939 1.00 25.30 H new ATOM 0 HE22 GLN A 42 7.676 6.700 -3.277 1.00 25.30 H new ATOM 508 N TYR A 43 2.515 6.345 0.939 1.00 75.20 N ATOM 509 CA TYR A 43 1.949 7.448 1.707 1.00 32.00 C ATOM 510 C TYR A 43 2.018 7.162 3.203 1.00 1.04 C ATOM 511 O TYR A 43 2.232 8.067 4.009 1.00 62.40 O ATOM 512 CB TYR A 43 0.498 7.695 1.290 1.00 14.10 C ATOM 513 CG TYR A 43 0.339 8.054 -0.170 1.00 0.10 C ATOM 514 CD1 TYR A 43 0.820 9.260 -0.665 1.00 13.00 C ATOM 515 CD2 TYR A 43 -0.291 7.186 -1.054 1.00 63.20 C ATOM 516 CE1 TYR A 43 0.677 9.591 -1.999 1.00 51.30 C ATOM 517 CE2 TYR A 43 -0.438 7.511 -2.389 1.00 12.50 C ATOM 518 CZ TYR A 43 0.047 8.713 -2.857 1.00 73.30 C ATOM 519 OH TYR A 43 -0.097 9.040 -4.186 1.00 41.50 O ATOM 0 H TYR A 43 1.833 5.816 0.395 1.00 75.20 H new ATOM 0 HA TYR A 43 2.537 8.342 1.499 1.00 32.00 H new ATOM 0 HB2 TYR A 43 -0.089 6.801 1.501 1.00 14.10 H new ATOM 0 HB3 TYR A 43 0.086 8.499 1.900 1.00 14.10 H new ATOM 0 HD1 TYR A 43 1.314 9.950 0.004 1.00 13.00 H new ATOM 0 HD2 TYR A 43 -0.672 6.242 -0.692 1.00 63.20 H new ATOM 0 HE1 TYR A 43 1.056 10.532 -2.368 1.00 51.30 H new ATOM 0 HE2 TYR A 43 -0.931 6.826 -3.063 1.00 12.50 H new ATOM 0 HH TYR A 43 -0.561 8.314 -4.653 1.00 41.50 H new ATOM 529 N PHE A 44 1.836 5.897 3.568 1.00 52.10 N ATOM 530 CA PHE A 44 1.879 5.491 4.968 1.00 43.30 C ATOM 531 C PHE A 44 3.262 5.733 5.563 1.00 32.20 C ATOM 532 O PHE A 44 3.400 6.400 6.588 1.00 35.30 O ATOM 533 CB PHE A 44 1.504 4.015 5.104 1.00 10.30 C ATOM 534 CG PHE A 44 0.024 3.778 5.209 1.00 22.10 C ATOM 535 CD1 PHE A 44 -0.746 4.509 6.098 1.00 31.20 C ATOM 536 CD2 PHE A 44 -0.596 2.825 4.417 1.00 61.40 C ATOM 537 CE1 PHE A 44 -2.108 4.294 6.197 1.00 51.20 C ATOM 538 CE2 PHE A 44 -1.957 2.605 4.511 1.00 11.10 C ATOM 539 CZ PHE A 44 -2.714 3.341 5.402 1.00 71.50 C ATOM 0 H PHE A 44 1.657 5.135 2.914 1.00 52.10 H new ATOM 0 HA PHE A 44 1.157 6.095 5.517 1.00 43.30 H new ATOM 0 HB2 PHE A 44 1.891 3.470 4.243 1.00 10.30 H new ATOM 0 HB3 PHE A 44 1.993 3.604 5.987 1.00 10.30 H new ATOM 0 HD1 PHE A 44 -0.277 5.256 6.721 1.00 31.20 H new ATOM 0 HD2 PHE A 44 -0.009 2.248 3.718 1.00 61.40 H new ATOM 0 HE1 PHE A 44 -2.697 4.870 6.895 1.00 51.20 H new ATOM 0 HE2 PHE A 44 -2.428 1.859 3.889 1.00 11.10 H new ATOM 0 HZ PHE A 44 -3.778 3.171 5.477 1.00 71.50 H new ATOM 549 N LEU A 45 4.284 5.187 4.912 1.00 23.30 N ATOM 550 CA LEU A 45 5.658 5.344 5.377 1.00 63.30 C ATOM 551 C LEU A 45 6.066 6.814 5.380 1.00 52.00 C ATOM 552 O LEU A 45 6.870 7.243 6.208 1.00 14.40 O ATOM 553 CB LEU A 45 6.612 4.539 4.493 1.00 44.10 C ATOM 554 CG LEU A 45 6.376 3.028 4.494 1.00 61.10 C ATOM 555 CD1 LEU A 45 7.267 2.348 3.466 1.00 41.10 C ATOM 556 CD2 LEU A 45 6.624 2.452 5.880 1.00 23.10 C ATOM 0 H LEU A 45 4.187 4.632 4.062 1.00 23.30 H new ATOM 0 HA LEU A 45 5.716 4.968 6.398 1.00 63.30 H new ATOM 0 HB2 LEU A 45 6.529 4.904 3.469 1.00 44.10 H new ATOM 0 HB3 LEU A 45 7.634 4.732 4.818 1.00 44.10 H new ATOM 0 HG LEU A 45 5.337 2.841 4.224 1.00 61.10 H new ATOM 0 HD11 LEU A 45 7.085 1.273 3.481 1.00 41.10 H new ATOM 0 HD12 LEU A 45 7.043 2.740 2.474 1.00 41.10 H new ATOM 0 HD13 LEU A 45 8.312 2.543 3.705 1.00 41.10 H new ATOM 0 HD21 LEU A 45 6.452 1.376 5.863 1.00 23.10 H new ATOM 0 HD22 LEU A 45 7.654 2.650 6.177 1.00 23.10 H new ATOM 0 HD23 LEU A 45 5.944 2.917 6.594 1.00 23.10 H new ATOM 568 N HIS A 46 5.508 7.580 4.448 1.00 41.10 N ATOM 569 CA HIS A 46 5.815 9.002 4.344 1.00 4.14 C ATOM 570 C HIS A 46 5.436 9.736 5.626 1.00 51.30 C ATOM 571 O HIS A 46 6.168 10.608 6.094 1.00 12.30 O ATOM 572 CB HIS A 46 5.078 9.617 3.153 1.00 60.50 C ATOM 573 CG HIS A 46 5.396 11.064 2.936 1.00 34.40 C ATOM 574 ND1 HIS A 46 6.375 11.498 2.067 1.00 64.10 N ATOM 575 CD2 HIS A 46 4.857 12.181 3.480 1.00 34.10 C ATOM 576 CE1 HIS A 46 6.425 12.818 2.087 1.00 40.20 C ATOM 577 NE2 HIS A 46 5.514 13.257 2.935 1.00 20.10 N ATOM 0 H HIS A 46 4.842 7.240 3.755 1.00 41.10 H new ATOM 0 HA HIS A 46 6.889 9.107 4.192 1.00 4.14 H new ATOM 0 HB2 HIS A 46 5.331 9.059 2.252 1.00 60.50 H new ATOM 0 HB3 HIS A 46 4.004 9.508 3.305 1.00 60.50 H new ATOM 0 HD2 HIS A 46 4.059 12.219 4.207 1.00 34.10 H new ATOM 0 HE1 HIS A 46 7.097 13.433 1.508 1.00 40.20 H new ATOM 0 HE2 HIS A 46 5.328 14.236 3.151 1.00 20.10 H new ATOM 586 N VAL A 47 4.287 9.377 6.190 1.00 31.40 N ATOM 587 CA VAL A 47 3.810 10.001 7.418 1.00 71.40 C ATOM 588 C VAL A 47 4.660 9.582 8.613 1.00 72.40 C ATOM 589 O VAL A 47 4.877 10.364 9.538 1.00 1.04 O ATOM 590 CB VAL A 47 2.339 9.642 7.697 1.00 31.50 C ATOM 591 CG1 VAL A 47 1.802 10.456 8.864 1.00 73.40 C ATOM 592 CG2 VAL A 47 1.491 9.856 6.453 1.00 63.10 C ATOM 0 H VAL A 47 3.669 8.657 5.816 1.00 31.40 H new ATOM 0 HA VAL A 47 3.892 11.079 7.277 1.00 71.40 H new ATOM 0 HB VAL A 47 2.287 8.587 7.966 1.00 31.50 H new ATOM 0 HG11 VAL A 47 0.761 10.188 9.046 1.00 73.40 H new ATOM 0 HG12 VAL A 47 2.392 10.246 9.756 1.00 73.40 H new ATOM 0 HG13 VAL A 47 1.867 11.518 8.627 1.00 73.40 H new ATOM 0 HG21 VAL A 47 0.455 9.597 6.670 1.00 63.10 H new ATOM 0 HG22 VAL A 47 1.548 10.901 6.149 1.00 63.10 H new ATOM 0 HG23 VAL A 47 1.862 9.223 5.647 1.00 63.10 H new ATOM 602 N VAL A 48 5.137 8.342 8.586 1.00 31.40 N ATOM 603 CA VAL A 48 5.963 7.818 9.667 1.00 34.40 C ATOM 604 C VAL A 48 7.392 8.341 9.570 1.00 3.41 C ATOM 605 O VAL A 48 8.038 8.605 10.584 1.00 34.00 O ATOM 606 CB VAL A 48 5.991 6.278 9.659 1.00 13.30 C ATOM 607 CG1 VAL A 48 6.687 5.749 10.902 1.00 73.30 C ATOM 608 CG2 VAL A 48 4.580 5.720 9.549 1.00 73.20 C ATOM 0 H VAL A 48 4.966 7.682 7.828 1.00 31.40 H new ATOM 0 HA VAL A 48 5.515 8.160 10.600 1.00 34.40 H new ATOM 0 HB VAL A 48 6.557 5.947 8.788 1.00 13.30 H new ATOM 0 HG11 VAL A 48 6.697 4.659 10.878 1.00 73.30 H new ATOM 0 HG12 VAL A 48 7.711 6.120 10.931 1.00 73.30 H new ATOM 0 HG13 VAL A 48 6.153 6.087 11.790 1.00 73.30 H new ATOM 0 HG21 VAL A 48 4.619 4.631 9.545 1.00 73.20 H new ATOM 0 HG22 VAL A 48 3.988 6.059 10.399 1.00 73.20 H new ATOM 0 HG23 VAL A 48 4.121 6.070 8.624 1.00 73.20 H new ATOM 618 N LYS A 49 7.881 8.489 8.343 1.00 34.10 N ATOM 619 CA LYS A 49 9.234 8.980 8.112 1.00 73.10 C ATOM 620 C LYS A 49 9.334 10.469 8.430 1.00 52.40 C ATOM 621 O LYS A 49 10.316 10.924 9.017 1.00 4.20 O ATOM 622 CB LYS A 49 9.651 8.727 6.663 1.00 23.40 C ATOM 623 CG LYS A 49 11.130 8.416 6.501 1.00 31.10 C ATOM 624 CD LYS A 49 11.670 8.949 5.183 1.00 31.20 C ATOM 625 CE LYS A 49 12.376 10.282 5.369 1.00 24.50 C ATOM 626 NZ LYS A 49 12.181 11.182 4.199 1.00 64.40 N ATOM 0 H LYS A 49 7.360 8.276 7.493 1.00 34.10 H new ATOM 0 HA LYS A 49 9.908 8.439 8.776 1.00 73.10 H new ATOM 0 HB2 LYS A 49 9.068 7.896 6.266 1.00 23.40 H new ATOM 0 HB3 LYS A 49 9.405 9.604 6.064 1.00 23.40 H new ATOM 0 HG2 LYS A 49 11.688 8.855 7.328 1.00 31.10 H new ATOM 0 HG3 LYS A 49 11.284 7.338 6.549 1.00 31.10 H new ATOM 0 HD2 LYS A 49 12.363 8.226 4.753 1.00 31.20 H new ATOM 0 HD3 LYS A 49 10.851 9.066 4.473 1.00 31.20 H new ATOM 0 HE2 LYS A 49 12.000 10.769 6.269 1.00 24.50 H new ATOM 0 HE3 LYS A 49 13.442 10.110 5.521 1.00 24.50 H new ATOM 0 HZ1 LYS A 49 12.868 11.961 4.242 1.00 64.40 H new ATOM 0 HZ2 LYS A 49 12.322 10.644 3.320 1.00 64.40 H new ATOM 0 HZ3 LYS A 49 11.216 11.570 4.216 1.00 64.40 H new ATOM 640 N TYR A 50 8.311 11.222 8.039 1.00 72.10 N ATOM 641 CA TYR A 50 8.283 12.659 8.282 1.00 34.10 C ATOM 642 C TYR A 50 7.884 12.960 9.723 1.00 25.00 C ATOM 643 O TYR A 50 8.712 13.373 10.534 1.00 41.40 O ATOM 644 CB TYR A 50 7.312 13.342 7.318 1.00 74.40 C ATOM 645 CG TYR A 50 7.875 13.540 5.929 1.00 20.20 C ATOM 646 CD1 TYR A 50 8.405 12.473 5.215 1.00 33.10 C ATOM 647 CD2 TYR A 50 7.876 14.794 5.331 1.00 2.54 C ATOM 648 CE1 TYR A 50 8.921 12.650 3.945 1.00 2.42 C ATOM 649 CE2 TYR A 50 8.389 14.980 4.062 1.00 65.10 C ATOM 650 CZ TYR A 50 8.910 13.905 3.373 1.00 1.31 C ATOM 651 OH TYR A 50 9.423 14.085 2.109 1.00 40.00 O ATOM 0 H TYR A 50 7.491 10.861 7.553 1.00 72.10 H new ATOM 0 HA TYR A 50 9.286 13.050 8.113 1.00 34.10 H new ATOM 0 HB2 TYR A 50 6.402 12.746 7.250 1.00 74.40 H new ATOM 0 HB3 TYR A 50 7.029 14.312 7.728 1.00 74.40 H new ATOM 0 HD1 TYR A 50 8.414 11.489 5.660 1.00 33.10 H new ATOM 0 HD2 TYR A 50 7.469 15.638 5.868 1.00 2.54 H new ATOM 0 HE1 TYR A 50 9.331 11.810 3.403 1.00 2.42 H new ATOM 0 HE2 TYR A 50 8.382 15.962 3.612 1.00 65.10 H new ATOM 0 HH TYR A 50 9.338 15.027 1.853 1.00 40.00 H new ATOM 661 N GLU A 51 6.609 12.749 10.034 1.00 14.10 N ATOM 662 CA GLU A 51 6.099 12.998 11.378 1.00 33.00 C ATOM 663 C GLU A 51 4.721 12.371 11.561 1.00 14.00 C ATOM 664 O GLU A 51 3.709 12.940 11.151 1.00 52.10 O ATOM 665 CB GLU A 51 6.029 14.501 11.649 1.00 51.50 C ATOM 666 CG GLU A 51 5.423 15.298 10.506 1.00 74.00 C ATOM 667 CD GLU A 51 4.782 16.591 10.971 1.00 20.30 C ATOM 668 OE1 GLU A 51 3.593 16.562 11.350 1.00 61.40 O ATOM 669 OE2 GLU A 51 5.471 17.633 10.958 1.00 54.50 O ATOM 0 H GLU A 51 5.910 12.406 9.374 1.00 14.10 H new ATOM 0 HA GLU A 51 6.784 12.540 12.091 1.00 33.00 H new ATOM 0 HB2 GLU A 51 5.442 14.672 12.551 1.00 51.50 H new ATOM 0 HB3 GLU A 51 7.034 14.873 11.847 1.00 51.50 H new ATOM 0 HG2 GLU A 51 6.199 15.524 9.775 1.00 74.00 H new ATOM 0 HG3 GLU A 51 4.675 14.688 9.999 1.00 74.00 H new ATOM 676 N ALA A 52 4.689 11.195 12.180 1.00 35.10 N ATOM 677 CA ALA A 52 3.434 10.491 12.418 1.00 11.20 C ATOM 678 C ALA A 52 2.610 11.187 13.495 1.00 63.30 C ATOM 679 O ALA A 52 2.929 12.300 13.912 1.00 13.40 O ATOM 680 CB ALA A 52 3.707 9.047 12.810 1.00 63.40 C ATOM 0 H ALA A 52 5.517 10.710 12.526 1.00 35.10 H new ATOM 0 HA ALA A 52 2.857 10.503 11.493 1.00 11.20 H new ATOM 0 HB1 ALA A 52 2.762 8.533 12.985 1.00 63.40 H new ATOM 0 HB2 ALA A 52 4.249 8.548 12.006 1.00 63.40 H new ATOM 0 HB3 ALA A 52 4.306 9.024 13.720 1.00 63.40 H new ATOM 686 N GLN A 53 1.548 10.524 13.941 1.00 42.40 N ATOM 687 CA GLN A 53 0.677 11.080 14.970 1.00 62.50 C ATOM 688 C GLN A 53 1.260 10.847 16.360 1.00 31.50 C ATOM 689 O GLN A 53 1.444 11.788 17.132 1.00 31.20 O ATOM 690 CB GLN A 53 -0.717 10.457 14.878 1.00 32.20 C ATOM 691 CG GLN A 53 -1.286 10.443 13.469 1.00 5.31 C ATOM 692 CD GLN A 53 -2.790 10.258 13.449 1.00 34.40 C ATOM 693 OE1 GLN A 53 -3.479 10.569 14.421 1.00 2.21 O ATOM 694 NE2 GLN A 53 -3.310 9.749 12.338 1.00 42.10 N ATOM 0 H GLN A 53 1.270 9.602 13.606 1.00 42.40 H new ATOM 0 HA GLN A 53 0.599 12.154 14.804 1.00 62.50 H new ATOM 0 HB2 GLN A 53 -0.674 9.435 15.254 1.00 32.20 H new ATOM 0 HB3 GLN A 53 -1.396 11.008 15.529 1.00 32.20 H new ATOM 0 HG2 GLN A 53 -1.032 11.378 12.969 1.00 5.31 H new ATOM 0 HG3 GLN A 53 -0.817 9.640 12.900 1.00 5.31 H new ATOM 0 HE21 GLN A 53 -2.703 9.505 11.556 1.00 42.10 H new ATOM 0 HE22 GLN A 53 -4.317 9.602 12.267 1.00 42.10 H new ATOM 703 N GLY A 54 1.549 9.588 16.671 1.00 4.54 N ATOM 704 CA GLY A 54 2.108 9.254 17.968 1.00 61.00 C ATOM 705 C GLY A 54 2.826 7.919 17.965 1.00 44.00 C ATOM 706 O GLY A 54 2.944 7.273 16.923 1.00 63.10 O ATOM 0 H GLY A 54 1.406 8.793 16.048 1.00 4.54 H new ATOM 0 HA2 GLY A 54 2.803 10.036 18.272 1.00 61.00 H new ATOM 0 HA3 GLY A 54 1.309 9.231 18.709 1.00 61.00 H new ATOM 710 N ASP A 55 3.306 7.504 19.132 1.00 42.50 N ATOM 711 CA ASP A 55 4.015 6.236 19.260 1.00 4.44 C ATOM 712 C ASP A 55 3.121 5.069 18.855 1.00 32.40 C ATOM 713 O ASP A 55 3.522 4.213 18.066 1.00 44.30 O ATOM 714 CB ASP A 55 4.504 6.044 20.697 1.00 62.50 C ATOM 715 CG ASP A 55 5.646 5.052 20.791 1.00 20.10 C ATOM 716 OD1 ASP A 55 6.553 5.108 19.934 1.00 42.20 O ATOM 717 OD2 ASP A 55 5.634 4.219 21.722 1.00 62.20 O ATOM 0 H ASP A 55 3.217 8.027 20.003 1.00 42.50 H new ATOM 0 HA ASP A 55 4.875 6.260 18.591 1.00 4.44 H new ATOM 0 HB2 ASP A 55 4.826 7.004 21.100 1.00 62.50 H new ATOM 0 HB3 ASP A 55 3.676 5.700 21.317 1.00 62.50 H new ATOM 722 N LYS A 56 1.909 5.042 19.399 1.00 23.20 N ATOM 723 CA LYS A 56 0.958 3.979 19.093 1.00 13.00 C ATOM 724 C LYS A 56 0.532 4.034 17.630 1.00 41.30 C ATOM 725 O LYS A 56 0.332 3.001 16.992 1.00 45.40 O ATOM 726 CB LYS A 56 -0.270 4.090 19.999 1.00 42.30 C ATOM 727 CG LYS A 56 -1.048 5.382 19.812 1.00 33.40 C ATOM 728 CD LYS A 56 -1.650 5.863 21.123 1.00 63.50 C ATOM 729 CE LYS A 56 -0.767 6.903 21.792 1.00 54.10 C ATOM 730 NZ LYS A 56 -1.556 7.837 22.643 1.00 54.30 N ATOM 0 H LYS A 56 1.562 5.743 20.053 1.00 23.20 H new ATOM 0 HA LYS A 56 1.449 3.023 19.273 1.00 13.00 H new ATOM 0 HB2 LYS A 56 -0.932 3.246 19.805 1.00 42.30 H new ATOM 0 HB3 LYS A 56 0.048 4.014 21.039 1.00 42.30 H new ATOM 0 HG2 LYS A 56 -0.388 6.151 19.409 1.00 33.40 H new ATOM 0 HG3 LYS A 56 -1.841 5.228 19.081 1.00 33.40 H new ATOM 0 HD2 LYS A 56 -2.637 6.287 20.938 1.00 63.50 H new ATOM 0 HD3 LYS A 56 -1.788 5.015 21.794 1.00 63.50 H new ATOM 0 HE2 LYS A 56 -0.015 6.403 22.403 1.00 54.10 H new ATOM 0 HE3 LYS A 56 -0.233 7.470 21.030 1.00 54.10 H new ATOM 0 HZ1 LYS A 56 -0.917 8.531 23.081 1.00 54.30 H new ATOM 0 HZ2 LYS A 56 -2.256 8.334 22.056 1.00 54.30 H new ATOM 0 HZ3 LYS A 56 -2.046 7.299 23.386 1.00 54.30 H new ATOM 744 N ALA A 57 0.397 5.247 17.104 1.00 42.00 N ATOM 745 CA ALA A 57 -0.005 5.437 15.715 1.00 33.20 C ATOM 746 C ALA A 57 1.026 4.847 14.760 1.00 62.50 C ATOM 747 O ALA A 57 0.674 4.204 13.771 1.00 24.20 O ATOM 748 CB ALA A 57 -0.212 6.916 15.424 1.00 61.00 C ATOM 0 H ALA A 57 0.560 6.113 17.618 1.00 42.00 H new ATOM 0 HA ALA A 57 -0.947 4.912 15.560 1.00 33.20 H new ATOM 0 HB1 ALA A 57 -0.512 7.044 14.384 1.00 61.00 H new ATOM 0 HB2 ALA A 57 -0.991 7.310 16.077 1.00 61.00 H new ATOM 0 HB3 ALA A 57 0.718 7.456 15.602 1.00 61.00 H new ATOM 754 N LYS A 58 2.301 5.069 15.062 1.00 74.10 N ATOM 755 CA LYS A 58 3.384 4.558 14.230 1.00 11.30 C ATOM 756 C LYS A 58 3.339 3.036 14.152 1.00 51.20 C ATOM 757 O LYS A 58 3.501 2.454 13.079 1.00 54.10 O ATOM 758 CB LYS A 58 4.737 5.012 14.782 1.00 63.30 C ATOM 759 CG LYS A 58 4.922 6.521 14.772 1.00 24.20 C ATOM 760 CD LYS A 58 5.894 6.969 15.852 1.00 23.10 C ATOM 761 CE LYS A 58 5.808 8.468 16.090 1.00 21.10 C ATOM 762 NZ LYS A 58 7.102 9.030 16.566 1.00 42.10 N ATOM 0 H LYS A 58 2.609 5.599 15.877 1.00 74.10 H new ATOM 0 HA LYS A 58 3.256 4.959 13.225 1.00 11.30 H new ATOM 0 HB2 LYS A 58 4.844 4.648 15.804 1.00 63.30 H new ATOM 0 HB3 LYS A 58 5.532 4.553 14.195 1.00 63.30 H new ATOM 0 HG2 LYS A 58 5.290 6.837 13.796 1.00 24.20 H new ATOM 0 HG3 LYS A 58 3.959 7.008 14.923 1.00 24.20 H new ATOM 0 HD2 LYS A 58 5.679 6.439 16.780 1.00 23.10 H new ATOM 0 HD3 LYS A 58 6.910 6.703 15.562 1.00 23.10 H new ATOM 0 HE2 LYS A 58 5.514 8.966 15.166 1.00 21.10 H new ATOM 0 HE3 LYS A 58 5.030 8.675 16.825 1.00 21.10 H new ATOM 0 HZ1 LYS A 58 7.001 10.054 16.716 1.00 42.10 H new ATOM 0 HZ2 LYS A 58 7.371 8.573 17.461 1.00 42.10 H new ATOM 0 HZ3 LYS A 58 7.839 8.856 15.854 1.00 42.10 H new ATOM 776 N GLN A 59 3.117 2.396 15.295 1.00 32.20 N ATOM 777 CA GLN A 59 3.051 0.940 15.356 1.00 23.40 C ATOM 778 C GLN A 59 1.925 0.410 14.474 1.00 23.30 C ATOM 779 O GLN A 59 2.031 -0.674 13.900 1.00 41.40 O ATOM 780 CB GLN A 59 2.844 0.478 16.800 1.00 54.30 C ATOM 781 CG GLN A 59 4.136 0.357 17.591 1.00 32.40 C ATOM 782 CD GLN A 59 4.148 -0.852 18.505 1.00 51.40 C ATOM 783 OE1 GLN A 59 5.046 -1.691 18.432 1.00 22.30 O ATOM 784 NE2 GLN A 59 3.147 -0.948 19.373 1.00 52.10 N ATOM 0 H GLN A 59 2.980 2.862 16.192 1.00 32.20 H new ATOM 0 HA GLN A 59 3.996 0.542 14.987 1.00 23.40 H new ATOM 0 HB2 GLN A 59 2.182 1.181 17.306 1.00 54.30 H new ATOM 0 HB3 GLN A 59 2.339 -0.488 16.795 1.00 54.30 H new ATOM 0 HG2 GLN A 59 4.976 0.294 16.900 1.00 32.40 H new ATOM 0 HG3 GLN A 59 4.280 1.259 18.186 1.00 32.40 H new ATOM 0 HE21 GLN A 59 2.424 -0.229 19.399 1.00 52.10 H new ATOM 0 HE22 GLN A 59 3.102 -1.740 20.014 1.00 52.10 H new ATOM 793 N SER A 60 0.848 1.181 14.370 1.00 44.40 N ATOM 794 CA SER A 60 -0.297 0.789 13.557 1.00 62.40 C ATOM 795 C SER A 60 0.064 0.782 12.075 1.00 51.20 C ATOM 796 O SER A 60 -0.345 -0.109 11.331 1.00 70.20 O ATOM 797 CB SER A 60 -1.472 1.738 13.802 1.00 52.30 C ATOM 798 OG SER A 60 -2.706 1.043 13.764 1.00 54.40 O ATOM 0 H SER A 60 0.744 2.081 14.839 1.00 44.40 H new ATOM 0 HA SER A 60 -0.587 -0.221 13.847 1.00 62.40 H new ATOM 0 HB2 SER A 60 -1.355 2.224 14.770 1.00 52.30 H new ATOM 0 HB3 SER A 60 -1.471 2.525 13.048 1.00 52.30 H new ATOM 0 HG SER A 60 -3.440 1.671 13.925 1.00 54.40 H new ATOM 804 N ILE A 61 0.834 1.780 11.654 1.00 41.20 N ATOM 805 CA ILE A 61 1.251 1.888 10.261 1.00 30.10 C ATOM 806 C ILE A 61 2.251 0.794 9.902 1.00 4.11 C ATOM 807 O ILE A 61 2.266 0.299 8.775 1.00 14.40 O ATOM 808 CB ILE A 61 1.882 3.263 9.967 1.00 53.30 C ATOM 809 CG1 ILE A 61 0.970 4.384 10.467 1.00 72.50 C ATOM 810 CG2 ILE A 61 2.151 3.416 8.478 1.00 42.20 C ATOM 811 CD1 ILE A 61 1.530 5.770 10.227 1.00 33.10 C ATOM 0 H ILE A 61 1.182 2.525 12.257 1.00 41.20 H new ATOM 0 HA ILE A 61 0.354 1.772 9.652 1.00 30.10 H new ATOM 0 HB ILE A 61 2.833 3.330 10.496 1.00 53.30 H new ATOM 0 HG12 ILE A 61 0.002 4.301 9.973 1.00 72.50 H new ATOM 0 HG13 ILE A 61 0.796 4.251 11.535 1.00 72.50 H new ATOM 0 HG21 ILE A 61 2.597 4.392 8.287 1.00 42.20 H new ATOM 0 HG22 ILE A 61 2.836 2.634 8.150 1.00 42.20 H new ATOM 0 HG23 ILE A 61 1.214 3.331 7.928 1.00 42.20 H new ATOM 0 HD11 ILE A 61 0.831 6.516 10.606 1.00 33.10 H new ATOM 0 HD12 ILE A 61 2.484 5.871 10.744 1.00 33.10 H new ATOM 0 HD13 ILE A 61 1.678 5.922 9.158 1.00 33.10 H new ATOM 823 N ARG A 62 3.084 0.420 10.867 1.00 4.11 N ATOM 824 CA ARG A 62 4.087 -0.616 10.652 1.00 71.40 C ATOM 825 C ARG A 62 3.428 -1.950 10.318 1.00 3.20 C ATOM 826 O ARG A 62 3.894 -2.683 9.446 1.00 72.50 O ATOM 827 CB ARG A 62 4.970 -0.766 11.892 1.00 13.10 C ATOM 828 CG ARG A 62 6.191 0.139 11.884 1.00 2.10 C ATOM 829 CD ARG A 62 6.751 0.331 13.283 1.00 5.34 C ATOM 830 NE ARG A 62 8.208 0.439 13.279 1.00 32.30 N ATOM 831 CZ ARG A 62 9.027 -0.586 13.056 1.00 35.40 C ATOM 832 NH1 ARG A 62 8.537 -1.796 12.818 1.00 42.10 N ATOM 833 NH2 ARG A 62 10.340 -0.401 13.070 1.00 31.20 N ATOM 0 H ARG A 62 3.084 0.819 11.806 1.00 4.11 H new ATOM 0 HA ARG A 62 4.707 -0.316 9.807 1.00 71.40 H new ATOM 0 HB2 ARG A 62 4.375 -0.551 12.779 1.00 13.10 H new ATOM 0 HB3 ARG A 62 5.297 -1.803 11.971 1.00 13.10 H new ATOM 0 HG2 ARG A 62 6.958 -0.289 11.239 1.00 2.10 H new ATOM 0 HG3 ARG A 62 5.924 1.108 11.462 1.00 2.10 H new ATOM 0 HD2 ARG A 62 6.322 1.230 13.725 1.00 5.34 H new ATOM 0 HD3 ARG A 62 6.451 -0.507 13.912 1.00 5.34 H new ATOM 0 HE ARG A 62 8.622 1.354 13.458 1.00 32.30 H new ATOM 0 HH11 ARG A 62 7.528 -1.944 12.805 1.00 42.10 H new ATOM 0 HH12 ARG A 62 9.169 -2.578 12.648 1.00 42.10 H new ATOM 0 HH21 ARG A 62 10.722 0.527 13.252 1.00 31.20 H new ATOM 0 HH22 ARG A 62 10.968 -1.187 12.899 1.00 31.20 H new ATOM 847 N ALA A 63 2.341 -2.258 11.018 1.00 50.20 N ATOM 848 CA ALA A 63 1.616 -3.504 10.796 1.00 13.40 C ATOM 849 C ALA A 63 0.848 -3.466 9.479 1.00 53.00 C ATOM 850 O ALA A 63 0.634 -4.499 8.844 1.00 12.50 O ATOM 851 CB ALA A 63 0.669 -3.776 11.955 1.00 32.10 C ATOM 0 H ALA A 63 1.943 -1.662 11.744 1.00 50.20 H new ATOM 0 HA ALA A 63 2.343 -4.314 10.738 1.00 13.40 H new ATOM 0 HB1 ALA A 63 0.134 -4.709 11.777 1.00 32.10 H new ATOM 0 HB2 ALA A 63 1.240 -3.856 12.880 1.00 32.10 H new ATOM 0 HB3 ALA A 63 -0.046 -2.958 12.040 1.00 32.10 H new ATOM 857 N LYS A 64 0.434 -2.270 9.074 1.00 1.34 N ATOM 858 CA LYS A 64 -0.311 -2.099 7.833 1.00 34.20 C ATOM 859 C LYS A 64 0.633 -2.024 6.637 1.00 75.50 C ATOM 860 O LYS A 64 0.339 -2.556 5.567 1.00 15.20 O ATOM 861 CB LYS A 64 -1.170 -0.836 7.899 1.00 1.03 C ATOM 862 CG LYS A 64 -2.225 -0.877 8.992 1.00 73.40 C ATOM 863 CD LYS A 64 -2.418 0.488 9.633 1.00 14.30 C ATOM 864 CE LYS A 64 -3.403 1.338 8.848 1.00 70.30 C ATOM 865 NZ LYS A 64 -4.815 1.010 9.188 1.00 54.00 N ATOM 0 H LYS A 64 0.602 -1.405 9.588 1.00 1.34 H new ATOM 0 HA LYS A 64 -0.960 -2.965 7.707 1.00 34.20 H new ATOM 0 HB2 LYS A 64 -0.523 0.026 8.062 1.00 1.03 H new ATOM 0 HB3 LYS A 64 -1.661 -0.689 6.937 1.00 1.03 H new ATOM 0 HG2 LYS A 64 -3.171 -1.220 8.573 1.00 73.40 H new ATOM 0 HG3 LYS A 64 -1.933 -1.600 9.754 1.00 73.40 H new ATOM 0 HD2 LYS A 64 -2.777 0.364 10.655 1.00 14.30 H new ATOM 0 HD3 LYS A 64 -1.459 1.002 9.692 1.00 14.30 H new ATOM 0 HE2 LYS A 64 -3.216 2.392 9.053 1.00 70.30 H new ATOM 0 HE3 LYS A 64 -3.242 1.187 7.781 1.00 70.30 H new ATOM 0 HZ1 LYS A 64 -5.455 1.612 8.631 1.00 54.00 H new ATOM 0 HZ2 LYS A 64 -5.002 0.011 8.969 1.00 54.00 H new ATOM 0 HZ3 LYS A 64 -4.976 1.178 10.202 1.00 54.00 H new ATOM 879 N CYS A 65 1.768 -1.361 6.828 1.00 52.40 N ATOM 880 CA CYS A 65 2.756 -1.216 5.766 1.00 64.30 C ATOM 881 C CYS A 65 3.343 -2.570 5.381 1.00 32.40 C ATOM 882 O CYS A 65 3.719 -2.790 4.229 1.00 14.00 O ATOM 883 CB CYS A 65 3.874 -0.269 6.205 1.00 33.30 C ATOM 884 SG CYS A 65 3.571 1.468 5.803 1.00 63.00 S ATOM 0 H CYS A 65 2.027 -0.916 7.708 1.00 52.40 H new ATOM 0 HA CYS A 65 2.255 -0.795 4.894 1.00 64.30 H new ATOM 0 HB2 CYS A 65 4.013 -0.363 7.282 1.00 33.30 H new ATOM 0 HB3 CYS A 65 4.806 -0.582 5.735 1.00 33.30 H new ATOM 0 HG CYS A 65 2.681 1.546 4.858 1.00 63.00 H new ATOM 890 N THR A 66 3.419 -3.475 6.352 1.00 32.30 N ATOM 891 CA THR A 66 3.961 -4.808 6.113 1.00 30.40 C ATOM 892 C THR A 66 2.877 -5.753 5.603 1.00 21.20 C ATOM 893 O THR A 66 3.158 -6.689 4.855 1.00 74.20 O ATOM 894 CB THR A 66 4.583 -5.367 7.394 1.00 53.50 C ATOM 895 OG1 THR A 66 5.206 -6.614 7.145 1.00 3.22 O ATOM 896 CG2 THR A 66 3.579 -5.570 8.509 1.00 73.40 C ATOM 0 H THR A 66 3.112 -3.310 7.311 1.00 32.30 H new ATOM 0 HA THR A 66 4.734 -4.727 5.349 1.00 30.40 H new ATOM 0 HB THR A 66 5.309 -4.619 7.713 1.00 53.50 H new ATOM 0 HG1 THR A 66 5.599 -6.955 7.975 1.00 3.22 H new ATOM 0 HG21 THR A 66 4.087 -5.968 9.388 1.00 73.40 H new ATOM 0 HG22 THR A 66 3.115 -4.616 8.759 1.00 73.40 H new ATOM 0 HG23 THR A 66 2.811 -6.272 8.184 1.00 73.40 H new ATOM 904 N GLU A 67 1.638 -5.502 6.012 1.00 41.00 N ATOM 905 CA GLU A 67 0.513 -6.331 5.595 1.00 4.14 C ATOM 906 C GLU A 67 0.234 -6.157 4.106 1.00 44.40 C ATOM 907 O GLU A 67 0.067 -7.136 3.378 1.00 64.10 O ATOM 908 CB GLU A 67 -0.736 -5.977 6.405 1.00 0.43 C ATOM 909 CG GLU A 67 -1.950 -6.819 6.050 1.00 20.10 C ATOM 910 CD GLU A 67 -3.041 -6.742 7.100 1.00 53.30 C ATOM 911 OE1 GLU A 67 -2.886 -7.376 8.165 1.00 33.50 O ATOM 912 OE2 GLU A 67 -4.050 -6.047 6.858 1.00 30.20 O ATOM 0 H GLU A 67 1.387 -4.731 6.632 1.00 41.00 H new ATOM 0 HA GLU A 67 0.773 -7.373 5.779 1.00 4.14 H new ATOM 0 HB2 GLU A 67 -0.517 -6.099 7.466 1.00 0.43 H new ATOM 0 HB3 GLU A 67 -0.975 -4.925 6.247 1.00 0.43 H new ATOM 0 HG2 GLU A 67 -2.349 -6.488 5.092 1.00 20.10 H new ATOM 0 HG3 GLU A 67 -1.643 -7.858 5.926 1.00 20.10 H new ATOM 919 N TYR A 68 0.185 -4.906 3.660 1.00 4.22 N ATOM 920 CA TYR A 68 -0.073 -4.604 2.258 1.00 40.50 C ATOM 921 C TYR A 68 1.149 -4.914 1.400 1.00 2.12 C ATOM 922 O TYR A 68 1.026 -5.440 0.294 1.00 24.50 O ATOM 923 CB TYR A 68 -0.465 -3.134 2.095 1.00 5.53 C ATOM 924 CG TYR A 68 -1.593 -2.703 3.006 1.00 63.50 C ATOM 925 CD1 TYR A 68 -2.741 -3.475 3.134 1.00 70.30 C ATOM 926 CD2 TYR A 68 -1.509 -1.525 3.737 1.00 12.20 C ATOM 927 CE1 TYR A 68 -3.774 -3.085 3.966 1.00 24.00 C ATOM 928 CE2 TYR A 68 -2.537 -1.128 4.570 1.00 73.20 C ATOM 929 CZ TYR A 68 -3.667 -1.911 4.681 1.00 43.40 C ATOM 930 OH TYR A 68 -4.693 -1.519 5.510 1.00 24.10 O ATOM 0 H TYR A 68 0.321 -4.085 4.250 1.00 4.22 H new ATOM 0 HA TYR A 68 -0.898 -5.233 1.923 1.00 40.50 H new ATOM 0 HB2 TYR A 68 0.407 -2.510 2.291 1.00 5.53 H new ATOM 0 HB3 TYR A 68 -0.757 -2.957 1.060 1.00 5.53 H new ATOM 0 HD1 TYR A 68 -2.828 -4.395 2.574 1.00 70.30 H new ATOM 0 HD2 TYR A 68 -0.626 -0.909 3.653 1.00 12.20 H new ATOM 0 HE1 TYR A 68 -4.660 -3.696 4.055 1.00 24.00 H new ATOM 0 HE2 TYR A 68 -2.456 -0.209 5.132 1.00 73.20 H new ATOM 0 HH TYR A 68 -4.459 -0.671 5.941 1.00 24.10 H new ATOM 940 N LEU A 69 2.328 -4.584 1.917 1.00 50.40 N ATOM 941 CA LEU A 69 3.574 -4.828 1.198 1.00 63.20 C ATOM 942 C LEU A 69 3.752 -6.315 0.907 1.00 2.00 C ATOM 943 O LEU A 69 4.130 -6.700 -0.199 1.00 14.00 O ATOM 944 CB LEU A 69 4.764 -4.309 2.006 1.00 54.20 C ATOM 945 CG LEU A 69 5.062 -2.818 1.835 1.00 33.10 C ATOM 946 CD1 LEU A 69 6.193 -2.391 2.757 1.00 70.30 C ATOM 947 CD2 LEU A 69 5.406 -2.508 0.386 1.00 53.10 C ATOM 0 H LEU A 69 2.447 -4.147 2.831 1.00 50.40 H new ATOM 0 HA LEU A 69 3.527 -4.293 0.249 1.00 63.20 H new ATOM 0 HB2 LEU A 69 4.582 -4.509 3.062 1.00 54.20 H new ATOM 0 HB3 LEU A 69 5.651 -4.876 1.723 1.00 54.20 H new ATOM 0 HG LEU A 69 4.169 -2.254 2.105 1.00 33.10 H new ATOM 0 HD11 LEU A 69 6.391 -1.328 2.622 1.00 70.30 H new ATOM 0 HD12 LEU A 69 5.909 -2.578 3.792 1.00 70.30 H new ATOM 0 HD13 LEU A 69 7.091 -2.961 2.519 1.00 70.30 H new ATOM 0 HD21 LEU A 69 5.615 -1.443 0.281 1.00 53.10 H new ATOM 0 HD22 LEU A 69 6.285 -3.081 0.090 1.00 53.10 H new ATOM 0 HD23 LEU A 69 4.565 -2.777 -0.253 1.00 53.10 H new ATOM 959 N ASP A 70 3.477 -7.146 1.907 1.00 64.20 N ATOM 960 CA ASP A 70 3.607 -8.590 1.758 1.00 51.50 C ATOM 961 C ASP A 70 2.645 -9.117 0.698 1.00 73.00 C ATOM 962 O ASP A 70 3.014 -9.947 -0.132 1.00 71.10 O ATOM 963 CB ASP A 70 3.344 -9.288 3.094 1.00 63.20 C ATOM 964 CG ASP A 70 3.940 -10.680 3.147 1.00 42.30 C ATOM 965 OD1 ASP A 70 5.169 -10.790 3.340 1.00 4.41 O ATOM 966 OD2 ASP A 70 3.179 -11.650 2.994 1.00 60.10 O ATOM 0 H ASP A 70 3.163 -6.844 2.829 1.00 64.20 H new ATOM 0 HA ASP A 70 4.626 -8.806 1.437 1.00 51.50 H new ATOM 0 HB2 ASP A 70 3.760 -8.687 3.903 1.00 63.20 H new ATOM 0 HB3 ASP A 70 2.269 -9.350 3.263 1.00 63.20 H new ATOM 971 N ARG A 71 1.410 -8.627 0.733 1.00 64.10 N ATOM 972 CA ARG A 71 0.394 -9.048 -0.225 1.00 21.20 C ATOM 973 C ARG A 71 0.725 -8.543 -1.626 1.00 4.21 C ATOM 974 O ARG A 71 0.520 -9.247 -2.615 1.00 63.20 O ATOM 975 CB ARG A 71 -0.983 -8.537 0.202 1.00 74.20 C ATOM 976 CG ARG A 71 -1.734 -9.498 1.110 1.00 44.50 C ATOM 977 CD ARG A 71 -3.226 -9.211 1.111 1.00 1.11 C ATOM 978 NE ARG A 71 -3.914 -9.881 0.010 1.00 1.42 N ATOM 979 CZ ARG A 71 -4.242 -11.170 0.016 1.00 72.20 C ATOM 980 NH1 ARG A 71 -3.948 -11.930 1.062 1.00 15.40 N ATOM 981 NH2 ARG A 71 -4.867 -11.700 -1.027 1.00 31.30 N ATOM 0 H ARG A 71 1.089 -7.939 1.414 1.00 64.10 H new ATOM 0 HA ARG A 71 0.379 -10.138 -0.245 1.00 21.20 H new ATOM 0 HB2 ARG A 71 -0.864 -7.583 0.716 1.00 74.20 H new ATOM 0 HB3 ARG A 71 -1.583 -8.347 -0.688 1.00 74.20 H new ATOM 0 HG2 ARG A 71 -1.560 -10.522 0.781 1.00 44.50 H new ATOM 0 HG3 ARG A 71 -1.346 -9.419 2.126 1.00 44.50 H new ATOM 0 HD2 ARG A 71 -3.657 -9.535 2.058 1.00 1.11 H new ATOM 0 HD3 ARG A 71 -3.388 -8.136 1.039 1.00 1.11 H new ATOM 0 HE ARG A 71 -4.157 -9.328 -0.812 1.00 1.42 H new ATOM 0 HH11 ARG A 71 -3.468 -11.527 1.867 1.00 15.40 H new ATOM 0 HH12 ARG A 71 -4.202 -12.918 1.062 1.00 15.40 H new ATOM 0 HH21 ARG A 71 -5.096 -11.119 -1.834 1.00 31.30 H new ATOM 0 HH22 ARG A 71 -5.119 -12.688 -1.023 1.00 31.30 H new ATOM 995 N ALA A 72 1.237 -7.319 -1.703 1.00 43.00 N ATOM 996 CA ALA A 72 1.596 -6.720 -2.982 1.00 24.20 C ATOM 997 C ALA A 72 2.897 -7.307 -3.517 1.00 53.20 C ATOM 998 O ALA A 72 3.062 -7.478 -4.725 1.00 64.40 O ATOM 999 CB ALA A 72 1.715 -5.210 -2.842 1.00 15.20 C ATOM 0 H ALA A 72 1.412 -6.723 -0.894 1.00 43.00 H new ATOM 0 HA ALA A 72 0.805 -6.947 -3.696 1.00 24.20 H new ATOM 0 HB1 ALA A 72 1.984 -4.775 -3.805 1.00 15.20 H new ATOM 0 HB2 ALA A 72 0.761 -4.799 -2.512 1.00 15.20 H new ATOM 0 HB3 ALA A 72 2.486 -4.972 -2.109 1.00 15.20 H new ATOM 1005 N GLU A 73 3.819 -7.615 -2.611 1.00 34.50 N ATOM 1006 CA GLU A 73 5.106 -8.184 -2.992 1.00 44.50 C ATOM 1007 C GLU A 73 4.920 -9.511 -3.721 1.00 10.20 C ATOM 1008 O GLU A 73 5.606 -9.792 -4.703 1.00 65.10 O ATOM 1009 CB GLU A 73 5.984 -8.386 -1.756 1.00 54.10 C ATOM 1010 CG GLU A 73 6.824 -7.170 -1.401 1.00 14.10 C ATOM 1011 CD GLU A 73 8.228 -7.539 -0.963 1.00 33.20 C ATOM 1012 OE1 GLU A 73 8.404 -8.640 -0.401 1.00 10.30 O ATOM 1013 OE2 GLU A 73 9.151 -6.727 -1.183 1.00 64.20 O ATOM 0 H GLU A 73 3.699 -7.480 -1.607 1.00 34.50 H new ATOM 0 HA GLU A 73 5.598 -7.485 -3.668 1.00 44.50 H new ATOM 0 HB2 GLU A 73 5.349 -8.639 -0.907 1.00 54.10 H new ATOM 0 HB3 GLU A 73 6.644 -9.237 -1.925 1.00 54.10 H new ATOM 0 HG2 GLU A 73 6.879 -6.507 -2.264 1.00 14.10 H new ATOM 0 HG3 GLU A 73 6.333 -6.614 -0.603 1.00 14.10 H new ATOM 1020 N LYS A 74 3.988 -10.320 -3.232 1.00 62.40 N ATOM 1021 CA LYS A 74 3.712 -11.620 -3.837 1.00 62.20 C ATOM 1022 C LYS A 74 2.981 -11.450 -5.166 1.00 24.30 C ATOM 1023 O LYS A 74 3.226 -12.200 -6.116 1.00 75.20 O ATOM 1024 CB LYS A 74 2.879 -12.480 -2.886 1.00 53.40 C ATOM 1025 CG LYS A 74 3.717 -13.320 -1.935 1.00 0.21 C ATOM 1026 CD LYS A 74 3.058 -14.660 -1.645 1.00 62.10 C ATOM 1027 CE LYS A 74 3.623 -15.290 -0.386 1.00 52.50 C ATOM 1028 NZ LYS A 74 2.741 -16.370 0.133 1.00 70.20 N ATOM 0 H LYS A 74 3.411 -10.101 -2.420 1.00 62.40 H new ATOM 0 HA LYS A 74 4.662 -12.120 -4.025 1.00 62.20 H new ATOM 0 HB2 LYS A 74 2.223 -11.833 -2.304 1.00 53.40 H new ATOM 0 HB3 LYS A 74 2.239 -13.139 -3.472 1.00 53.40 H new ATOM 0 HG2 LYS A 74 4.704 -13.485 -2.367 1.00 0.21 H new ATOM 0 HG3 LYS A 74 3.864 -12.777 -1.002 1.00 0.21 H new ATOM 0 HD2 LYS A 74 1.982 -14.523 -1.534 1.00 62.10 H new ATOM 0 HD3 LYS A 74 3.208 -15.332 -2.490 1.00 62.10 H new ATOM 0 HE2 LYS A 74 4.612 -15.697 -0.595 1.00 52.50 H new ATOM 0 HE3 LYS A 74 3.749 -14.524 0.379 1.00 52.50 H new ATOM 0 HZ1 LYS A 74 3.160 -16.777 0.994 1.00 70.20 H new ATOM 0 HZ2 LYS A 74 1.805 -15.976 0.356 1.00 70.20 H new ATOM 0 HZ3 LYS A 74 2.641 -17.113 -0.588 1.00 70.20 H new ATOM 1042 N LEU A 75 2.081 -10.480 -5.225 1.00 32.20 N ATOM 1043 CA LEU A 75 1.314 -10.220 -6.437 1.00 40.00 C ATOM 1044 C LEU A 75 2.239 -9.886 -7.604 1.00 22.30 C ATOM 1045 O LEU A 75 2.146 -10.480 -8.674 1.00 30.40 O ATOM 1046 CB LEU A 75 0.326 -9.073 -6.205 1.00 1.32 C ATOM 1047 CG LEU A 75 -1.120 -9.505 -5.956 1.00 64.20 C ATOM 1048 CD1 LEU A 75 -1.249 -10.180 -4.602 1.00 70.10 C ATOM 1049 CD2 LEU A 75 -2.055 -8.308 -6.046 1.00 3.10 C ATOM 0 H LEU A 75 1.863 -9.858 -4.447 1.00 32.20 H new ATOM 0 HA LEU A 75 0.757 -11.123 -6.687 1.00 40.00 H new ATOM 0 HB2 LEU A 75 0.666 -8.488 -5.351 1.00 1.32 H new ATOM 0 HB3 LEU A 75 0.348 -8.414 -7.073 1.00 1.32 H new ATOM 0 HG LEU A 75 -1.403 -10.223 -6.726 1.00 64.20 H new ATOM 0 HD11 LEU A 75 -2.285 -10.480 -4.442 1.00 70.10 H new ATOM 0 HD12 LEU A 75 -0.607 -11.060 -4.572 1.00 70.10 H new ATOM 0 HD13 LEU A 75 -0.948 -9.484 -3.819 1.00 70.10 H new ATOM 0 HD21 LEU A 75 -3.080 -8.633 -5.866 1.00 3.10 H new ATOM 0 HD22 LEU A 75 -1.772 -7.568 -5.297 1.00 3.10 H new ATOM 0 HD23 LEU A 75 -1.984 -7.864 -7.039 1.00 3.10 H new ATOM 1061 N LYS A 76 3.130 -8.925 -7.389 1.00 25.10 N ATOM 1062 CA LYS A 76 4.073 -8.512 -8.422 1.00 53.50 C ATOM 1063 C LYS A 76 5.046 -9.640 -8.753 1.00 22.30 C ATOM 1064 O LYS A 76 5.557 -9.724 -9.869 1.00 43.20 O ATOM 1065 CB LYS A 76 4.847 -7.273 -7.969 1.00 71.30 C ATOM 1066 CG LYS A 76 5.724 -7.514 -6.752 1.00 31.40 C ATOM 1067 CD LYS A 76 6.844 -6.490 -6.661 1.00 53.40 C ATOM 1068 CE LYS A 76 7.100 -6.070 -5.222 1.00 33.20 C ATOM 1069 NZ LYS A 76 5.956 -5.303 -4.656 1.00 74.00 N ATOM 0 H LYS A 76 3.219 -8.417 -6.509 1.00 25.10 H new ATOM 0 HA LYS A 76 3.506 -8.270 -9.321 1.00 53.50 H new ATOM 0 HB2 LYS A 76 5.470 -6.923 -8.792 1.00 71.30 H new ATOM 0 HB3 LYS A 76 4.139 -6.475 -7.744 1.00 71.30 H new ATOM 0 HG2 LYS A 76 5.115 -7.470 -5.849 1.00 31.40 H new ATOM 0 HG3 LYS A 76 6.149 -8.516 -6.801 1.00 31.40 H new ATOM 0 HD2 LYS A 76 7.756 -6.908 -7.087 1.00 53.40 H new ATOM 0 HD3 LYS A 76 6.587 -5.614 -7.256 1.00 53.40 H new ATOM 0 HE2 LYS A 76 7.281 -6.955 -4.612 1.00 33.20 H new ATOM 0 HE3 LYS A 76 8.003 -5.461 -5.177 1.00 33.20 H new ATOM 0 HZ1 LYS A 76 6.148 -5.079 -3.659 1.00 74.00 H new ATOM 0 HZ2 LYS A 76 5.831 -4.420 -5.191 1.00 74.00 H new ATOM 0 HZ3 LYS A 76 5.089 -5.873 -4.722 1.00 74.00 H new ATOM 1083 N GLU A 77 5.297 -10.500 -7.775 1.00 54.40 N ATOM 1084 CA GLU A 77 6.210 -11.620 -7.961 1.00 64.00 C ATOM 1085 C GLU A 77 5.777 -12.500 -9.137 1.00 25.10 C ATOM 1086 O GLU A 77 6.558 -12.750 -10.050 1.00 41.10 O ATOM 1087 CB GLU A 77 6.280 -12.470 -6.687 1.00 52.30 C ATOM 1088 CG GLU A 77 7.570 -13.260 -6.552 1.00 45.40 C ATOM 1089 CD GLU A 77 7.894 -13.600 -5.111 1.00 51.00 C ATOM 1090 OE1 GLU A 77 7.716 -12.730 -4.238 1.00 23.40 O ATOM 1091 OE2 GLU A 77 8.327 -14.750 -4.857 1.00 3.14 O ATOM 0 H GLU A 77 4.881 -10.444 -6.845 1.00 54.40 H new ATOM 0 HA GLU A 77 7.196 -11.209 -8.179 1.00 64.00 H new ATOM 0 HB2 GLU A 77 6.170 -11.819 -5.820 1.00 52.30 H new ATOM 0 HB3 GLU A 77 5.438 -13.162 -6.675 1.00 52.30 H new ATOM 0 HG2 GLU A 77 7.491 -14.181 -7.130 1.00 45.40 H new ATOM 0 HG3 GLU A 77 8.391 -12.685 -6.980 1.00 45.40 H new ATOM 1098 N TYR A 78 4.531 -12.960 -9.102 1.00 62.10 N ATOM 1099 CA TYR A 78 4.001 -13.800 -10.160 1.00 20.30 C ATOM 1100 C TYR A 78 3.650 -12.970 -11.390 1.00 45.40 C ATOM 1101 O TYR A 78 3.849 -13.410 -12.530 1.00 11.10 O ATOM 1102 CB TYR A 78 2.772 -14.580 -9.671 1.00 50.10 C ATOM 1103 CG TYR A 78 1.477 -13.790 -9.729 1.00 12.10 C ATOM 1104 CD1 TYR A 78 0.781 -13.650 -10.920 1.00 44.00 C ATOM 1105 CD2 TYR A 78 0.952 -13.190 -8.591 1.00 10.30 C ATOM 1106 CE1 TYR A 78 -0.401 -12.940 -10.980 1.00 52.30 C ATOM 1107 CE2 TYR A 78 -0.231 -12.480 -8.642 1.00 43.10 C ATOM 1108 CZ TYR A 78 -0.903 -12.360 -9.840 1.00 61.40 C ATOM 1109 OH TYR A 78 -2.080 -11.650 -9.895 1.00 41.10 O ATOM 0 H TYR A 78 3.871 -12.763 -8.349 1.00 62.10 H new ATOM 0 HA TYR A 78 4.774 -14.515 -10.440 1.00 20.30 H new ATOM 0 HB2 TYR A 78 2.663 -15.482 -10.274 1.00 50.10 H new ATOM 0 HB3 TYR A 78 2.944 -14.902 -8.644 1.00 50.10 H new ATOM 0 HD1 TYR A 78 1.171 -14.105 -11.818 1.00 44.00 H new ATOM 0 HD2 TYR A 78 1.478 -13.280 -7.652 1.00 10.30 H new ATOM 0 HE1 TYR A 78 -0.928 -12.841 -11.917 1.00 52.30 H new ATOM 0 HE2 TYR A 78 -0.628 -12.021 -7.748 1.00 43.10 H new ATOM 0 HH TYR A 78 -2.689 -11.971 -9.197 1.00 41.10 H new ATOM 1119 N LEU A 79 3.126 -11.770 -11.160 1.00 50.50 N ATOM 1120 CA LEU A 79 2.745 -10.880 -12.250 1.00 50.00 C ATOM 1121 C LEU A 79 3.943 -10.560 -13.140 1.00 13.00 C ATOM 1122 O LEU A 79 3.793 -10.340 -14.340 1.00 23.20 O ATOM 1123 CB LEU A 79 2.154 -9.589 -11.690 1.00 5.54 C ATOM 1124 CG LEU A 79 0.682 -9.671 -11.290 1.00 33.20 C ATOM 1125 CD1 LEU A 79 0.289 -8.461 -10.450 1.00 34.30 C ATOM 1126 CD2 LEU A 79 -0.205 -9.785 -12.520 1.00 71.10 C ATOM 0 H LEU A 79 2.956 -11.392 -10.228 1.00 50.50 H new ATOM 0 HA LEU A 79 1.994 -11.387 -12.856 1.00 50.00 H new ATOM 0 HB2 LEU A 79 2.735 -9.290 -10.818 1.00 5.54 H new ATOM 0 HB3 LEU A 79 2.269 -8.802 -12.435 1.00 5.54 H new ATOM 0 HG LEU A 79 0.540 -10.568 -10.687 1.00 33.20 H new ATOM 0 HD11 LEU A 79 -0.763 -8.536 -10.174 1.00 34.30 H new ATOM 0 HD12 LEU A 79 0.900 -8.431 -9.548 1.00 34.30 H new ATOM 0 HD13 LEU A 79 0.449 -7.550 -11.027 1.00 34.30 H new ATOM 0 HD21 LEU A 79 -1.249 -9.842 -12.212 1.00 71.10 H new ATOM 0 HD22 LEU A 79 -0.061 -8.910 -13.155 1.00 71.10 H new ATOM 0 HD23 LEU A 79 0.059 -10.684 -13.077 1.00 71.10 H new ATOM 1138 N LYS A 80 5.131 -10.550 -12.550 1.00 43.30 N ATOM 1139 CA LYS A 80 6.354 -10.260 -13.290 1.00 41.40 C ATOM 1140 C LYS A 80 6.928 -11.530 -13.910 1.00 35.40 C ATOM 1141 O LYS A 80 7.553 -11.490 -14.970 1.00 50.30 O ATOM 1142 CB LYS A 80 7.390 -9.618 -12.370 1.00 75.30 C ATOM 1143 CG LYS A 80 7.350 -8.099 -12.380 1.00 72.30 C ATOM 1144 CD LYS A 80 8.086 -7.511 -11.190 1.00 34.20 C ATOM 1145 CE LYS A 80 8.796 -6.218 -11.550 1.00 51.40 C ATOM 1146 NZ LYS A 80 7.893 -5.268 -12.260 1.00 42.20 N ATOM 0 H LYS A 80 5.275 -10.740 -11.558 1.00 43.30 H new ATOM 0 HA LYS A 80 6.108 -9.564 -14.092 1.00 41.40 H new ATOM 0 HB2 LYS A 80 7.229 -9.971 -11.352 1.00 75.30 H new ATOM 0 HB3 LYS A 80 8.385 -9.949 -12.668 1.00 75.30 H new ATOM 0 HG2 LYS A 80 7.796 -7.729 -13.303 1.00 72.30 H new ATOM 0 HG3 LYS A 80 6.313 -7.762 -12.370 1.00 72.30 H new ATOM 0 HD2 LYS A 80 7.379 -7.325 -10.381 1.00 34.20 H new ATOM 0 HD3 LYS A 80 8.813 -8.234 -10.819 1.00 34.20 H new ATOM 0 HE2 LYS A 80 9.177 -5.748 -10.643 1.00 51.40 H new ATOM 0 HE3 LYS A 80 9.657 -6.440 -12.180 1.00 51.40 H new ATOM 0 HZ1 LYS A 80 8.296 -4.310 -12.220 1.00 42.20 H new ATOM 0 HZ2 LYS A 80 7.793 -5.560 -13.253 1.00 42.20 H new ATOM 0 HZ3 LYS A 80 6.959 -5.270 -11.803 1.00 42.20 H new ATOM 1160 N ASN A 81 6.712 -12.660 -13.240 1.00 54.10 N ATOM 1161 CA ASN A 81 7.209 -13.940 -13.720 1.00 63.30 C ATOM 1162 C ASN A 81 6.351 -14.460 -14.870 1.00 23.00 C ATOM 1163 O ASN A 81 6.855 -15.100 -15.800 1.00 52.20 O ATOM 1164 CB ASN A 81 7.231 -14.970 -12.580 1.00 12.10 C ATOM 1165 CG ASN A 81 8.282 -16.040 -12.790 1.00 3.33 C ATOM 1166 OD1 ASN A 81 8.031 -17.050 -13.440 1.00 65.20 O ATOM 1167 ND2 ASN A 81 9.468 -15.820 -12.240 1.00 52.40 N ATOM 0 H ASN A 81 6.195 -12.711 -12.362 1.00 54.10 H new ATOM 0 HA ASN A 81 8.226 -13.790 -14.084 1.00 63.30 H new ATOM 0 HB2 ASN A 81 7.420 -14.459 -11.636 1.00 12.10 H new ATOM 0 HB3 ASN A 81 6.250 -15.439 -12.498 1.00 12.10 H new ATOM 0 HD21 ASN A 81 10.216 -16.505 -12.349 1.00 52.40 H new ATOM 0 HD22 ASN A 81 9.633 -14.966 -11.707 1.00 52.40 H new