USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 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 33 THR OG1 : rot 180:sc= 0.0353 USER MOD Set 1.2: A 43 MET CE :methyl -133:sc= -7.34! (180deg=-5.09!) USER MOD Single : A 3 THR OG1 : rot 63:sc= 1.34 USER MOD Single : A 4 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.029) USER MOD Single : A 16 ASN : amide:sc= -0.952 K(o=-0.95,f=-0.17) USER MOD Single : A 27 LYS NZ :NH3+ 146:sc= 1.24 (180deg=0.572) USER MOD Single : A 30 LYS NZ :NH3+ 134:sc= 1.34 (180deg=1.05) USER MOD Single : A 31 SER OG : rot -149:sc= -0.627 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 1.16 (180deg=1.07) USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= 0.724 (180deg=0.412) USER MOD Single : A 65 ASN : amide:sc= 0.771 K(o=0.77,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.2) USER MOD Single : A 68 THR OG1 : rot -114:sc= 1.43 USER MOD Single : A 73 THR OG1 : rot 86:sc= 1.13 USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0483) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 80 GLN : amide:sc= -3.77! K(o=-3.8!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 -12.316 -7.345 -0.370 1.00 0.54 N ATOM 24 CA THR A 3 -11.718 -8.452 0.287 1.00 0.48 C ATOM 25 C THR A 3 -10.344 -7.999 0.800 1.00 0.39 C ATOM 26 O THR A 3 -9.544 -7.544 0.015 1.00 0.37 O ATOM 27 CB THR A 3 -11.546 -9.558 -0.745 1.00 0.54 C ATOM 28 OG1 THR A 3 -12.602 -9.448 -1.744 1.00 1.05 O ATOM 29 CG2 THR A 3 -11.666 -10.881 -0.058 1.00 0.94 C ATOM 0 HA THR A 3 -12.323 -8.812 1.119 1.00 0.48 H new ATOM 0 HB THR A 3 -10.571 -9.470 -1.225 1.00 0.54 H new ATOM 0 HG1 THR A 3 -12.518 -8.593 -2.216 1.00 1.05 H new ATOM 0 HG21 THR A 3 -11.545 -11.682 -0.787 1.00 0.94 H new ATOM 0 HG22 THR A 3 -10.893 -10.966 0.706 1.00 0.94 H new ATOM 0 HG23 THR A 3 -12.648 -10.961 0.409 1.00 0.94 H new ATOM 37 N GLN A 4 -10.090 -8.109 2.108 1.00 0.39 N ATOM 38 CA GLN A 4 -8.846 -7.581 2.734 1.00 0.34 C ATOM 39 C GLN A 4 -7.605 -8.092 2.025 1.00 0.27 C ATOM 40 O GLN A 4 -6.678 -7.352 1.748 1.00 0.25 O ATOM 41 CB GLN A 4 -8.735 -8.000 4.186 1.00 0.47 C ATOM 42 CG GLN A 4 -9.836 -7.528 5.097 1.00 0.63 C ATOM 43 CD GLN A 4 -9.627 -8.032 6.520 1.00 0.81 C ATOM 44 OE1 GLN A 4 -10.015 -7.382 7.491 1.00 1.25 O ATOM 45 NE2 GLN A 4 -9.009 -9.189 6.659 1.00 1.20 N ATOM 0 H GLN A 4 -10.725 -8.559 2.767 1.00 0.39 H new ATOM 0 HA GLN A 4 -8.908 -6.496 2.655 1.00 0.34 H new ATOM 0 HB2 GLN A 4 -8.699 -9.089 4.227 1.00 0.47 H new ATOM 0 HB3 GLN A 4 -7.786 -7.634 4.577 1.00 0.47 H new ATOM 0 HG2 GLN A 4 -9.871 -6.439 5.096 1.00 0.63 H new ATOM 0 HG3 GLN A 4 -10.798 -7.878 4.722 1.00 0.63 H new ATOM 0 HE21 GLN A 4 -8.699 -9.704 5.835 1.00 1.20 H new ATOM 0 HE22 GLN A 4 -8.841 -9.569 7.591 1.00 1.20 H new ATOM 54 N GLU A 5 -7.649 -9.341 1.681 1.00 0.33 N ATOM 55 CA GLU A 5 -6.530 -10.033 1.065 1.00 0.37 C ATOM 56 C GLU A 5 -6.340 -9.563 -0.365 1.00 0.30 C ATOM 57 O GLU A 5 -5.238 -9.541 -0.881 1.00 0.32 O ATOM 58 CB GLU A 5 -6.726 -11.556 1.124 1.00 0.56 C ATOM 59 CG GLU A 5 -6.687 -12.173 2.536 1.00 0.85 C ATOM 60 CD GLU A 5 -7.770 -11.688 3.465 1.00 1.42 C ATOM 61 OE1 GLU A 5 -8.927 -12.087 3.281 1.00 1.67 O ATOM 62 OE2 GLU A 5 -7.489 -10.890 4.370 1.00 2.30 O ATOM 0 H GLU A 5 -8.471 -9.929 1.817 1.00 0.33 H new ATOM 0 HA GLU A 5 -5.627 -9.793 1.626 1.00 0.37 H new ATOM 0 HB2 GLU A 5 -7.684 -11.800 0.666 1.00 0.56 H new ATOM 0 HB3 GLU A 5 -5.953 -12.029 0.518 1.00 0.56 H new ATOM 0 HG2 GLU A 5 -6.762 -13.257 2.446 1.00 0.85 H new ATOM 0 HG3 GLU A 5 -5.718 -11.957 2.986 1.00 0.85 H new ATOM 69 N GLU A 6 -7.422 -9.136 -0.956 1.00 0.31 N ATOM 70 CA GLU A 6 -7.459 -8.597 -2.300 1.00 0.34 C ATOM 71 C GLU A 6 -6.873 -7.189 -2.265 1.00 0.25 C ATOM 72 O GLU A 6 -6.170 -6.769 -3.177 1.00 0.27 O ATOM 73 CB GLU A 6 -8.918 -8.583 -2.740 1.00 0.47 C ATOM 74 CG GLU A 6 -9.253 -7.919 -4.046 1.00 0.57 C ATOM 75 CD GLU A 6 -10.744 -7.974 -4.288 1.00 1.19 C ATOM 76 OE1 GLU A 6 -11.535 -7.619 -3.366 1.00 1.92 O ATOM 77 OE2 GLU A 6 -11.163 -8.426 -5.368 1.00 1.75 O ATOM 0 H GLU A 6 -8.337 -9.152 -0.505 1.00 0.31 H new ATOM 0 HA GLU A 6 -6.877 -9.192 -3.004 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -9.261 -9.616 -2.793 1.00 0.47 H new ATOM 0 HB3 GLU A 6 -9.498 -8.094 -1.958 1.00 0.47 H new ATOM 0 HG2 GLU A 6 -8.917 -6.882 -4.033 1.00 0.57 H new ATOM 0 HG3 GLU A 6 -8.726 -8.415 -4.861 1.00 0.57 H new ATOM 84 N ILE A 7 -7.150 -6.491 -1.175 1.00 0.21 N ATOM 85 CA ILE A 7 -6.617 -5.166 -0.920 1.00 0.19 C ATOM 86 C ILE A 7 -5.100 -5.292 -0.789 1.00 0.18 C ATOM 87 O ILE A 7 -4.343 -4.658 -1.514 1.00 0.21 O ATOM 88 CB ILE A 7 -7.204 -4.609 0.404 1.00 0.20 C ATOM 89 CG1 ILE A 7 -8.738 -4.659 0.367 1.00 0.25 C ATOM 90 CG2 ILE A 7 -6.707 -3.195 0.669 1.00 0.26 C ATOM 91 CD1 ILE A 7 -9.426 -4.042 1.564 1.00 0.29 C ATOM 0 H ILE A 7 -7.760 -6.835 -0.434 1.00 0.21 H new ATOM 0 HA ILE A 7 -6.880 -4.488 -1.732 1.00 0.19 H new ATOM 0 HB ILE A 7 -6.860 -5.237 1.226 1.00 0.20 H new ATOM 0 HG12 ILE A 7 -9.082 -4.150 -0.533 1.00 0.25 H new ATOM 0 HG13 ILE A 7 -9.051 -5.700 0.283 1.00 0.25 H new ATOM 0 HG21 ILE A 7 -7.133 -2.828 1.603 1.00 0.26 H new ATOM 0 HG22 ILE A 7 -5.620 -3.200 0.744 1.00 0.26 H new ATOM 0 HG23 ILE A 7 -7.012 -2.543 -0.150 1.00 0.26 H new ATOM 0 HD11 ILE A 7 -10.506 -4.126 1.446 1.00 0.29 H new ATOM 0 HD12 ILE A 7 -9.118 -4.565 2.470 1.00 0.29 H new ATOM 0 HD13 ILE A 7 -9.150 -2.990 1.640 1.00 0.29 H new ATOM 103 N VAL A 8 -4.680 -6.132 0.129 1.00 0.18 N ATOM 104 CA VAL A 8 -3.276 -6.437 0.346 1.00 0.20 C ATOM 105 C VAL A 8 -2.601 -6.892 -0.974 1.00 0.23 C ATOM 106 O VAL A 8 -1.492 -6.469 -1.295 1.00 0.26 O ATOM 107 CB VAL A 8 -3.136 -7.515 1.452 1.00 0.23 C ATOM 108 CG1 VAL A 8 -1.693 -7.935 1.633 1.00 0.32 C ATOM 109 CG2 VAL A 8 -3.698 -6.981 2.769 1.00 0.23 C ATOM 0 H VAL A 8 -5.309 -6.632 0.757 1.00 0.18 H new ATOM 0 HA VAL A 8 -2.765 -5.534 0.679 1.00 0.20 H new ATOM 0 HB VAL A 8 -3.703 -8.394 1.145 1.00 0.23 H new ATOM 0 HG11 VAL A 8 -1.630 -8.691 2.415 1.00 0.32 H new ATOM 0 HG12 VAL A 8 -1.314 -8.347 0.698 1.00 0.32 H new ATOM 0 HG13 VAL A 8 -1.095 -7.069 1.916 1.00 0.32 H new ATOM 0 HG21 VAL A 8 -3.597 -7.742 3.543 1.00 0.23 H new ATOM 0 HG22 VAL A 8 -3.147 -6.088 3.064 1.00 0.23 H new ATOM 0 HG23 VAL A 8 -4.751 -6.731 2.641 1.00 0.23 H new ATOM 119 N ALA A 9 -3.304 -7.700 -1.753 1.00 0.24 N ATOM 120 CA ALA A 9 -2.806 -8.171 -3.048 1.00 0.28 C ATOM 121 C ALA A 9 -2.690 -7.016 -4.051 1.00 0.26 C ATOM 122 O ALA A 9 -1.818 -7.019 -4.925 1.00 0.29 O ATOM 123 CB ALA A 9 -3.704 -9.261 -3.602 1.00 0.32 C ATOM 0 H ALA A 9 -4.232 -8.049 -1.512 1.00 0.24 H new ATOM 0 HA ALA A 9 -1.810 -8.585 -2.891 1.00 0.28 H new ATOM 0 HB1 ALA A 9 -3.317 -9.597 -4.564 1.00 0.32 H new ATOM 0 HB2 ALA A 9 -3.728 -10.100 -2.907 1.00 0.32 H new ATOM 0 HB3 ALA A 9 -4.713 -8.870 -3.733 1.00 0.32 H new ATOM 129 N GLY A 10 -3.579 -6.039 -3.919 1.00 0.24 N ATOM 130 CA GLY A 10 -3.545 -4.850 -4.743 1.00 0.25 C ATOM 131 C GLY A 10 -2.331 -4.030 -4.429 1.00 0.25 C ATOM 132 O GLY A 10 -1.727 -3.441 -5.303 1.00 0.31 O ATOM 0 H GLY A 10 -4.339 -6.054 -3.239 1.00 0.24 H new ATOM 0 HA2 GLY A 10 -3.540 -5.130 -5.796 1.00 0.25 H new ATOM 0 HA3 GLY A 10 -4.445 -4.258 -4.575 1.00 0.25 H new ATOM 136 N LEU A 11 -1.989 -3.998 -3.165 1.00 0.21 N ATOM 137 CA LEU A 11 -0.789 -3.334 -2.705 1.00 0.22 C ATOM 138 C LEU A 11 0.415 -4.081 -3.265 1.00 0.23 C ATOM 139 O LEU A 11 1.295 -3.500 -3.901 1.00 0.26 O ATOM 140 CB LEU A 11 -0.742 -3.365 -1.168 1.00 0.22 C ATOM 141 CG LEU A 11 -1.900 -2.685 -0.430 1.00 0.23 C ATOM 142 CD1 LEU A 11 -1.864 -3.024 1.050 1.00 0.28 C ATOM 143 CD2 LEU A 11 -1.834 -1.181 -0.617 1.00 0.29 C ATOM 0 H LEU A 11 -2.535 -4.433 -2.421 1.00 0.21 H new ATOM 0 HA LEU A 11 -0.780 -2.297 -3.041 1.00 0.22 H new ATOM 0 HB2 LEU A 11 -0.701 -4.407 -0.850 1.00 0.22 H new ATOM 0 HB3 LEU A 11 0.188 -2.896 -0.847 1.00 0.22 H new ATOM 0 HG LEU A 11 -2.836 -3.054 -0.850 1.00 0.23 H new ATOM 0 HD11 LEU A 11 -2.694 -2.532 1.556 1.00 0.28 H new ATOM 0 HD12 LEU A 11 -1.949 -4.103 1.178 1.00 0.28 H new ATOM 0 HD13 LEU A 11 -0.923 -2.681 1.479 1.00 0.28 H new ATOM 0 HD21 LEU A 11 -2.663 -0.712 -0.087 1.00 0.29 H new ATOM 0 HD22 LEU A 11 -0.891 -0.806 -0.220 1.00 0.29 H new ATOM 0 HD23 LEU A 11 -1.901 -0.943 -1.679 1.00 0.29 H new ATOM 155 N ALA A 12 0.385 -5.383 -3.063 1.00 0.21 N ATOM 156 CA ALA A 12 1.425 -6.315 -3.464 1.00 0.22 C ATOM 157 C ALA A 12 1.811 -6.184 -4.931 1.00 0.23 C ATOM 158 O ALA A 12 3.000 -6.124 -5.260 1.00 0.24 O ATOM 159 CB ALA A 12 0.957 -7.724 -3.182 1.00 0.24 C ATOM 0 H ALA A 12 -0.397 -5.842 -2.595 1.00 0.21 H new ATOM 0 HA ALA A 12 2.318 -6.078 -2.885 1.00 0.22 H new ATOM 0 HB1 ALA A 12 1.731 -8.431 -3.480 1.00 0.24 H new ATOM 0 HB2 ALA A 12 0.756 -7.834 -2.116 1.00 0.24 H new ATOM 0 HB3 ALA A 12 0.046 -7.925 -3.746 1.00 0.24 H new ATOM 165 N GLU A 13 0.816 -6.102 -5.799 1.00 0.24 N ATOM 166 CA GLU A 13 1.059 -6.036 -7.240 1.00 0.28 C ATOM 167 C GLU A 13 1.760 -4.753 -7.669 1.00 0.25 C ATOM 168 O GLU A 13 2.482 -4.722 -8.674 1.00 0.33 O ATOM 169 CB GLU A 13 -0.220 -6.274 -8.039 1.00 0.44 C ATOM 170 CG GLU A 13 -1.344 -5.306 -7.770 1.00 0.53 C ATOM 171 CD GLU A 13 -2.544 -5.572 -8.629 1.00 1.02 C ATOM 172 OE1 GLU A 13 -2.564 -5.108 -9.804 1.00 1.23 O ATOM 173 OE2 GLU A 13 -3.488 -6.240 -8.161 1.00 1.46 O ATOM 0 H GLU A 13 -0.169 -6.079 -5.536 1.00 0.24 H new ATOM 0 HA GLU A 13 1.748 -6.849 -7.468 1.00 0.28 H new ATOM 0 HB2 GLU A 13 0.023 -6.235 -9.101 1.00 0.44 H new ATOM 0 HB3 GLU A 13 -0.575 -7.283 -7.830 1.00 0.44 H new ATOM 0 HG2 GLU A 13 -1.631 -5.369 -6.720 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -0.994 -4.289 -7.945 1.00 0.53 H new ATOM 180 N ILE A 14 1.578 -3.727 -6.899 1.00 0.23 N ATOM 181 CA ILE A 14 2.188 -2.450 -7.163 1.00 0.25 C ATOM 182 C ILE A 14 3.585 -2.438 -6.558 1.00 0.22 C ATOM 183 O ILE A 14 4.551 -1.985 -7.177 1.00 0.22 O ATOM 184 CB ILE A 14 1.324 -1.342 -6.546 1.00 0.30 C ATOM 185 CG1 ILE A 14 -0.061 -1.402 -7.157 1.00 0.33 C ATOM 186 CG2 ILE A 14 1.941 0.017 -6.783 1.00 0.36 C ATOM 187 CD1 ILE A 14 -1.053 -0.487 -6.503 1.00 0.41 C ATOM 0 H ILE A 14 0.998 -3.746 -6.060 1.00 0.23 H new ATOM 0 HA ILE A 14 2.264 -2.278 -8.237 1.00 0.25 H new ATOM 0 HB ILE A 14 1.260 -1.496 -5.469 1.00 0.30 H new ATOM 0 HG12 ILE A 14 0.008 -1.150 -8.215 1.00 0.33 H new ATOM 0 HG13 ILE A 14 -0.430 -2.426 -7.096 1.00 0.33 H new ATOM 0 HG21 ILE A 14 1.310 0.786 -6.336 1.00 0.36 H new ATOM 0 HG22 ILE A 14 2.931 0.051 -6.329 1.00 0.36 H new ATOM 0 HG23 ILE A 14 2.027 0.196 -7.855 1.00 0.36 H new ATOM 0 HD11 ILE A 14 -2.020 -0.587 -6.996 1.00 0.41 H new ATOM 0 HD12 ILE A 14 -1.153 -0.752 -5.450 1.00 0.41 H new ATOM 0 HD13 ILE A 14 -0.708 0.543 -6.587 1.00 0.41 H new ATOM 199 N VAL A 15 3.686 -2.966 -5.360 1.00 0.21 N ATOM 200 CA VAL A 15 4.949 -3.059 -4.650 1.00 0.19 C ATOM 201 C VAL A 15 5.943 -3.935 -5.415 1.00 0.18 C ATOM 202 O VAL A 15 7.116 -3.600 -5.512 1.00 0.22 O ATOM 203 CB VAL A 15 4.745 -3.592 -3.203 1.00 0.22 C ATOM 204 CG1 VAL A 15 6.068 -3.829 -2.484 1.00 0.23 C ATOM 205 CG2 VAL A 15 3.909 -2.618 -2.414 1.00 0.29 C ATOM 0 H VAL A 15 2.892 -3.346 -4.844 1.00 0.21 H new ATOM 0 HA VAL A 15 5.364 -2.054 -4.581 1.00 0.19 H new ATOM 0 HB VAL A 15 4.234 -4.552 -3.278 1.00 0.22 H new ATOM 0 HG11 VAL A 15 5.874 -4.201 -1.478 1.00 0.23 H new ATOM 0 HG12 VAL A 15 6.655 -4.564 -3.035 1.00 0.23 H new ATOM 0 HG13 VAL A 15 6.622 -2.892 -2.424 1.00 0.23 H new ATOM 0 HG21 VAL A 15 3.769 -2.996 -1.401 1.00 0.29 H new ATOM 0 HG22 VAL A 15 4.415 -1.653 -2.375 1.00 0.29 H new ATOM 0 HG23 VAL A 15 2.938 -2.499 -2.895 1.00 0.29 H new ATOM 215 N ASN A 16 5.473 -5.028 -5.979 1.00 0.17 N ATOM 216 CA ASN A 16 6.351 -5.927 -6.745 1.00 0.19 C ATOM 217 C ASN A 16 6.947 -5.201 -7.937 1.00 0.22 C ATOM 218 O ASN A 16 8.086 -5.442 -8.318 1.00 0.27 O ATOM 219 CB ASN A 16 5.598 -7.143 -7.262 1.00 0.23 C ATOM 220 CG ASN A 16 6.540 -8.222 -7.802 1.00 0.31 C ATOM 221 OD1 ASN A 16 6.273 -8.843 -8.832 1.00 0.64 O ATOM 222 ND2 ASN A 16 7.583 -8.524 -7.062 1.00 0.29 N ATOM 0 H ASN A 16 4.498 -5.325 -5.930 1.00 0.17 H new ATOM 0 HA ASN A 16 7.138 -6.253 -6.064 1.00 0.19 H new ATOM 0 HB2 ASN A 16 4.992 -7.562 -6.458 1.00 0.23 H new ATOM 0 HB3 ASN A 16 4.912 -6.835 -8.051 1.00 0.23 H new ATOM 0 HD21 ASN A 16 8.197 -9.291 -7.335 1.00 0.29 H new ATOM 0 HD22 ASN A 16 7.778 -7.991 -6.214 1.00 0.29 H new ATOM 229 N GLU A 17 6.175 -4.298 -8.478 1.00 0.23 N ATOM 230 CA GLU A 17 6.546 -3.541 -9.642 1.00 0.29 C ATOM 231 C GLU A 17 7.488 -2.384 -9.264 1.00 0.30 C ATOM 232 O GLU A 17 8.647 -2.348 -9.662 1.00 0.44 O ATOM 233 CB GLU A 17 5.261 -2.993 -10.262 1.00 0.38 C ATOM 234 CG GLU A 17 5.429 -2.217 -11.544 1.00 0.63 C ATOM 235 CD GLU A 17 4.126 -1.627 -11.998 1.00 1.21 C ATOM 236 OE1 GLU A 17 3.168 -2.400 -12.271 1.00 1.48 O ATOM 237 OE2 GLU A 17 4.007 -0.387 -12.065 1.00 2.00 O ATOM 0 H GLU A 17 5.251 -4.063 -8.114 1.00 0.23 H new ATOM 0 HA GLU A 17 7.077 -4.177 -10.350 1.00 0.29 H new ATOM 0 HB2 GLU A 17 4.586 -3.828 -10.451 1.00 0.38 H new ATOM 0 HB3 GLU A 17 4.773 -2.348 -9.531 1.00 0.38 H new ATOM 0 HG2 GLU A 17 6.160 -1.421 -11.397 1.00 0.63 H new ATOM 0 HG3 GLU A 17 5.824 -2.873 -12.320 1.00 0.63 H new ATOM 244 N ILE A 18 6.980 -1.491 -8.448 1.00 0.23 N ATOM 245 CA ILE A 18 7.658 -0.248 -8.096 1.00 0.25 C ATOM 246 C ILE A 18 8.788 -0.451 -7.069 1.00 0.25 C ATOM 247 O ILE A 18 9.918 -0.003 -7.275 1.00 0.28 O ATOM 248 CB ILE A 18 6.605 0.746 -7.555 1.00 0.25 C ATOM 249 CG1 ILE A 18 5.575 1.028 -8.645 1.00 0.27 C ATOM 250 CG2 ILE A 18 7.267 2.028 -7.117 1.00 0.28 C ATOM 251 CD1 ILE A 18 4.411 1.872 -8.222 1.00 0.28 C ATOM 0 H ILE A 18 6.071 -1.601 -7.999 1.00 0.23 H new ATOM 0 HA ILE A 18 8.135 0.146 -8.993 1.00 0.25 H new ATOM 0 HB ILE A 18 6.107 0.308 -6.690 1.00 0.25 H new ATOM 0 HG12 ILE A 18 6.077 1.521 -9.478 1.00 0.27 H new ATOM 0 HG13 ILE A 18 5.196 0.077 -9.019 1.00 0.27 H new ATOM 0 HG21 ILE A 18 6.512 2.717 -6.739 1.00 0.28 H new ATOM 0 HG22 ILE A 18 7.990 1.814 -6.329 1.00 0.28 H new ATOM 0 HG23 ILE A 18 7.779 2.481 -7.966 1.00 0.28 H new ATOM 0 HD11 ILE A 18 3.738 2.014 -9.068 1.00 0.28 H new ATOM 0 HD12 ILE A 18 3.877 1.375 -7.412 1.00 0.28 H new ATOM 0 HD13 ILE A 18 4.771 2.842 -7.878 1.00 0.28 H new ATOM 263 N ALA A 19 8.478 -1.090 -5.966 1.00 0.23 N ATOM 264 CA ALA A 19 9.460 -1.331 -4.917 1.00 0.26 C ATOM 265 C ALA A 19 10.413 -2.420 -5.363 1.00 0.26 C ATOM 266 O ALA A 19 11.622 -2.333 -5.171 1.00 0.34 O ATOM 267 CB ALA A 19 8.759 -1.801 -3.666 1.00 0.28 C ATOM 0 H ALA A 19 7.548 -1.458 -5.764 1.00 0.23 H new ATOM 0 HA ALA A 19 10.004 -0.407 -4.719 1.00 0.26 H new ATOM 0 HB1 ALA A 19 9.495 -1.981 -2.882 1.00 0.28 H new ATOM 0 HB2 ALA A 19 8.055 -1.037 -3.335 1.00 0.28 H new ATOM 0 HB3 ALA A 19 8.220 -2.725 -3.876 1.00 0.28 H new ATOM 273 N GLY A 20 9.842 -3.440 -5.971 1.00 0.23 N ATOM 274 CA GLY A 20 10.598 -4.579 -6.410 1.00 0.26 C ATOM 275 C GLY A 20 10.618 -5.648 -5.348 1.00 0.29 C ATOM 276 O GLY A 20 11.557 -6.437 -5.261 1.00 0.46 O ATOM 0 H GLY A 20 8.843 -3.496 -6.171 1.00 0.23 H new ATOM 0 HA2 GLY A 20 10.164 -4.978 -7.327 1.00 0.26 H new ATOM 0 HA3 GLY A 20 11.618 -4.275 -6.646 1.00 0.26 H new ATOM 280 N ILE A 21 9.583 -5.675 -4.543 1.00 0.27 N ATOM 281 CA ILE A 21 9.472 -6.635 -3.464 1.00 0.30 C ATOM 282 C ILE A 21 8.342 -7.601 -3.797 1.00 0.28 C ATOM 283 O ILE A 21 7.299 -7.161 -4.247 1.00 0.28 O ATOM 284 CB ILE A 21 9.172 -5.920 -2.103 1.00 0.32 C ATOM 285 CG1 ILE A 21 10.251 -4.861 -1.779 1.00 0.37 C ATOM 286 CG2 ILE A 21 9.043 -6.926 -0.956 1.00 0.36 C ATOM 287 CD1 ILE A 21 11.664 -5.409 -1.671 1.00 0.42 C ATOM 0 H ILE A 21 8.793 -5.034 -4.615 1.00 0.27 H new ATOM 0 HA ILE A 21 10.416 -7.170 -3.360 1.00 0.30 H new ATOM 0 HB ILE A 21 8.214 -5.410 -2.210 1.00 0.32 H new ATOM 0 HG12 ILE A 21 10.231 -4.093 -2.553 1.00 0.37 H new ATOM 0 HG13 ILE A 21 9.992 -4.373 -0.839 1.00 0.37 H new ATOM 0 HG21 ILE A 21 8.835 -6.394 -0.027 1.00 0.36 H new ATOM 0 HG22 ILE A 21 8.228 -7.618 -1.169 1.00 0.36 H new ATOM 0 HG23 ILE A 21 9.974 -7.483 -0.854 1.00 0.36 H new ATOM 0 HD11 ILE A 21 12.353 -4.596 -1.442 1.00 0.42 H new ATOM 0 HD12 ILE A 21 11.705 -6.155 -0.877 1.00 0.42 H new ATOM 0 HD13 ILE A 21 11.949 -5.870 -2.617 1.00 0.42 H new ATOM 299 N PRO A 22 8.591 -8.929 -3.678 1.00 0.31 N ATOM 300 CA PRO A 22 7.616 -10.002 -3.890 1.00 0.34 C ATOM 301 C PRO A 22 6.187 -9.671 -3.504 1.00 0.30 C ATOM 302 O PRO A 22 5.910 -9.234 -2.382 1.00 0.28 O ATOM 303 CB PRO A 22 8.151 -11.139 -2.993 1.00 0.39 C ATOM 304 CG PRO A 22 9.480 -10.663 -2.488 1.00 0.41 C ATOM 305 CD PRO A 22 9.877 -9.519 -3.362 1.00 0.36 C ATOM 0 HA PRO A 22 7.540 -10.234 -4.952 1.00 0.34 H new ATOM 0 HB2 PRO A 22 7.468 -11.342 -2.168 1.00 0.39 H new ATOM 0 HB3 PRO A 22 8.255 -12.067 -3.556 1.00 0.39 H new ATOM 0 HG2 PRO A 22 9.410 -10.350 -1.446 1.00 0.41 H new ATOM 0 HG3 PRO A 22 10.221 -11.461 -2.532 1.00 0.41 H new ATOM 0 HD2 PRO A 22 10.533 -8.818 -2.846 1.00 0.36 H new ATOM 0 HD3 PRO A 22 10.406 -9.851 -4.256 1.00 0.36 H new ATOM 313 N VAL A 23 5.285 -9.945 -4.447 1.00 0.31 N ATOM 314 CA VAL A 23 3.831 -9.788 -4.280 1.00 0.29 C ATOM 315 C VAL A 23 3.429 -10.609 -3.078 1.00 0.29 C ATOM 316 O VAL A 23 2.643 -10.206 -2.231 1.00 0.42 O ATOM 317 CB VAL A 23 3.081 -10.400 -5.516 1.00 0.36 C ATOM 318 CG1 VAL A 23 1.573 -10.274 -5.395 1.00 0.69 C ATOM 319 CG2 VAL A 23 3.544 -9.794 -6.813 1.00 0.41 C ATOM 0 H VAL A 23 5.546 -10.290 -5.371 1.00 0.31 H new ATOM 0 HA VAL A 23 3.583 -8.732 -4.174 1.00 0.29 H new ATOM 0 HB VAL A 23 3.333 -11.460 -5.522 1.00 0.36 H new ATOM 0 HG11 VAL A 23 1.100 -10.712 -6.274 1.00 0.69 H new ATOM 0 HG12 VAL A 23 1.235 -10.799 -4.501 1.00 0.69 H new ATOM 0 HG13 VAL A 23 1.301 -9.221 -5.323 1.00 0.69 H new ATOM 0 HG21 VAL A 23 2.999 -10.247 -7.641 1.00 0.41 H new ATOM 0 HG22 VAL A 23 3.358 -8.720 -6.800 1.00 0.41 H new ATOM 0 HG23 VAL A 23 4.611 -9.976 -6.939 1.00 0.41 H new ATOM 329 N GLU A 24 4.056 -11.733 -3.000 1.00 0.31 N ATOM 330 CA GLU A 24 3.744 -12.711 -2.031 1.00 0.36 C ATOM 331 C GLU A 24 4.308 -12.394 -0.657 1.00 0.35 C ATOM 332 O GLU A 24 3.808 -12.899 0.335 1.00 0.48 O ATOM 333 CB GLU A 24 4.145 -14.101 -2.487 1.00 0.55 C ATOM 334 CG GLU A 24 3.495 -14.526 -3.789 1.00 1.41 C ATOM 335 CD GLU A 24 1.980 -14.500 -3.740 1.00 1.82 C ATOM 336 OE1 GLU A 24 1.369 -15.408 -3.128 1.00 2.34 O ATOM 337 OE2 GLU A 24 1.372 -13.585 -4.344 1.00 2.01 O ATOM 0 H GLU A 24 4.817 -11.998 -3.626 1.00 0.31 H new ATOM 0 HA GLU A 24 2.659 -12.692 -1.927 1.00 0.36 H new ATOM 0 HB2 GLU A 24 5.228 -14.137 -2.603 1.00 0.55 H new ATOM 0 HB3 GLU A 24 3.883 -14.819 -1.709 1.00 0.55 H new ATOM 0 HG2 GLU A 24 3.837 -13.869 -4.589 1.00 1.41 H new ATOM 0 HG3 GLU A 24 3.826 -15.534 -4.040 1.00 1.41 H new ATOM 344 N ASP A 25 5.315 -11.533 -0.578 1.00 0.30 N ATOM 345 CA ASP A 25 5.883 -11.216 0.738 1.00 0.32 C ATOM 346 C ASP A 25 5.173 -10.014 1.316 1.00 0.29 C ATOM 347 O ASP A 25 5.431 -9.564 2.429 1.00 0.32 O ATOM 348 CB ASP A 25 7.399 -11.013 0.716 1.00 0.38 C ATOM 349 CG ASP A 25 7.981 -10.962 2.126 1.00 0.46 C ATOM 350 OD1 ASP A 25 7.576 -11.791 2.991 1.00 0.69 O ATOM 351 OD2 ASP A 25 8.869 -10.122 2.389 1.00 0.53 O ATOM 0 H ASP A 25 5.745 -11.056 -1.370 1.00 0.30 H new ATOM 0 HA ASP A 25 5.720 -12.082 1.380 1.00 0.32 H new ATOM 0 HB2 ASP A 25 7.867 -11.824 0.158 1.00 0.38 H new ATOM 0 HB3 ASP A 25 7.635 -10.087 0.191 1.00 0.38 H new ATOM 356 N VAL A 26 4.246 -9.516 0.556 1.00 0.27 N ATOM 357 CA VAL A 26 3.373 -8.484 0.992 1.00 0.27 C ATOM 358 C VAL A 26 2.266 -9.139 1.828 1.00 0.29 C ATOM 359 O VAL A 26 1.214 -9.574 1.338 1.00 0.37 O ATOM 360 CB VAL A 26 2.848 -7.654 -0.210 1.00 0.29 C ATOM 361 CG1 VAL A 26 1.693 -6.774 0.182 1.00 0.40 C ATOM 362 CG2 VAL A 26 3.975 -6.776 -0.740 1.00 0.38 C ATOM 0 H VAL A 26 4.077 -9.825 -0.401 1.00 0.27 H new ATOM 0 HA VAL A 26 3.894 -7.760 1.619 1.00 0.27 H new ATOM 0 HB VAL A 26 2.503 -8.351 -0.974 1.00 0.29 H new ATOM 0 HG11 VAL A 26 1.354 -6.210 -0.687 1.00 0.40 H new ATOM 0 HG12 VAL A 26 0.876 -7.391 0.555 1.00 0.40 H new ATOM 0 HG13 VAL A 26 2.011 -6.083 0.962 1.00 0.40 H new ATOM 0 HG21 VAL A 26 3.613 -6.190 -1.585 1.00 0.38 H new ATOM 0 HG22 VAL A 26 4.315 -6.104 0.049 1.00 0.38 H new ATOM 0 HG23 VAL A 26 4.805 -7.405 -1.063 1.00 0.38 H new ATOM 372 N LYS A 27 2.660 -9.381 3.052 1.00 0.33 N ATOM 373 CA LYS A 27 1.873 -9.988 4.102 1.00 0.38 C ATOM 374 C LYS A 27 0.995 -8.909 4.712 1.00 0.43 C ATOM 375 O LYS A 27 0.550 -8.024 4.010 1.00 0.98 O ATOM 376 CB LYS A 27 2.871 -10.540 5.128 1.00 0.57 C ATOM 377 CG LYS A 27 3.924 -11.466 4.519 1.00 0.47 C ATOM 378 CD LYS A 27 3.360 -12.825 4.173 1.00 0.96 C ATOM 379 CE LYS A 27 4.307 -13.629 3.283 1.00 1.16 C ATOM 380 NZ LYS A 27 5.712 -13.681 3.776 1.00 1.67 N ATOM 0 H LYS A 27 3.601 -9.144 3.365 1.00 0.33 H new ATOM 0 HA LYS A 27 1.230 -10.791 3.743 1.00 0.38 H new ATOM 0 HB2 LYS A 27 3.373 -9.706 5.620 1.00 0.57 H new ATOM 0 HB3 LYS A 27 2.324 -11.083 5.899 1.00 0.57 H new ATOM 0 HG2 LYS A 27 4.334 -11.005 3.620 1.00 0.47 H new ATOM 0 HG3 LYS A 27 4.749 -11.585 5.221 1.00 0.47 H new ATOM 0 HD2 LYS A 27 3.165 -13.381 5.090 1.00 0.96 H new ATOM 0 HD3 LYS A 27 2.403 -12.702 3.666 1.00 0.96 H new ATOM 0 HE2 LYS A 27 3.927 -14.647 3.194 1.00 1.16 H new ATOM 0 HE3 LYS A 27 4.301 -13.198 2.282 1.00 1.16 H new ATOM 0 HZ1 LYS A 27 6.130 -14.603 3.536 1.00 1.67 H new ATOM 0 HZ2 LYS A 27 6.265 -12.923 3.328 1.00 1.67 H new ATOM 0 HZ3 LYS A 27 5.723 -13.554 4.808 1.00 1.67 H new ATOM 394 N LEU A 28 0.732 -8.972 5.988 1.00 0.37 N ATOM 395 CA LEU A 28 -0.110 -7.961 6.587 1.00 0.37 C ATOM 396 C LEU A 28 0.613 -7.231 7.736 1.00 0.41 C ATOM 397 O LEU A 28 0.255 -6.111 8.121 1.00 0.55 O ATOM 398 CB LEU A 28 -1.448 -8.570 6.984 1.00 0.51 C ATOM 399 CG LEU A 28 -2.583 -7.586 7.194 1.00 0.47 C ATOM 400 CD1 LEU A 28 -3.876 -8.228 6.792 1.00 1.08 C ATOM 401 CD2 LEU A 28 -2.676 -7.125 8.639 1.00 0.99 C ATOM 0 H LEU A 28 1.076 -9.691 6.624 1.00 0.37 H new ATOM 0 HA LEU A 28 -0.324 -7.185 5.853 1.00 0.37 H new ATOM 0 HB2 LEU A 28 -1.746 -9.281 6.213 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -1.309 -9.138 7.904 1.00 0.51 H new ATOM 0 HG LEU A 28 -2.384 -6.709 6.578 1.00 0.47 H new ATOM 0 HD11 LEU A 28 -4.694 -7.523 6.942 1.00 1.08 H new ATOM 0 HD12 LEU A 28 -3.830 -8.512 5.741 1.00 1.08 H new ATOM 0 HD13 LEU A 28 -4.046 -9.116 7.401 1.00 1.08 H new ATOM 0 HD21 LEU A 28 -3.502 -6.422 8.744 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -2.848 -7.986 9.285 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.745 -6.636 8.926 1.00 0.99 H new ATOM 413 N ASP A 29 1.665 -7.829 8.218 1.00 0.41 N ATOM 414 CA ASP A 29 2.504 -7.230 9.271 1.00 0.51 C ATOM 415 C ASP A 29 3.572 -6.353 8.636 1.00 0.45 C ATOM 416 O ASP A 29 4.196 -5.517 9.275 1.00 0.63 O ATOM 417 CB ASP A 29 3.162 -8.342 10.114 1.00 0.66 C ATOM 418 CG ASP A 29 4.243 -7.834 11.058 1.00 1.43 C ATOM 419 OD1 ASP A 29 3.922 -7.279 12.128 1.00 1.81 O ATOM 420 OD2 ASP A 29 5.442 -7.971 10.732 1.00 2.11 O ATOM 0 H ASP A 29 1.983 -8.747 7.906 1.00 0.41 H new ATOM 0 HA ASP A 29 1.881 -6.617 9.923 1.00 0.51 H new ATOM 0 HB2 ASP A 29 2.392 -8.848 10.696 1.00 0.66 H new ATOM 0 HB3 ASP A 29 3.596 -9.085 9.445 1.00 0.66 H new ATOM 425 N LYS A 30 3.691 -6.492 7.349 1.00 0.31 N ATOM 426 CA LYS A 30 4.753 -5.872 6.596 1.00 0.30 C ATOM 427 C LYS A 30 4.621 -4.373 6.494 1.00 0.28 C ATOM 428 O LYS A 30 3.683 -3.846 5.891 1.00 0.35 O ATOM 429 CB LYS A 30 4.828 -6.468 5.207 1.00 0.33 C ATOM 430 CG LYS A 30 5.303 -7.898 5.159 1.00 0.37 C ATOM 431 CD LYS A 30 6.772 -7.999 5.509 1.00 0.38 C ATOM 432 CE LYS A 30 7.279 -9.418 5.351 1.00 0.48 C ATOM 433 NZ LYS A 30 8.744 -9.490 5.454 1.00 1.02 N ATOM 0 H LYS A 30 3.049 -7.044 6.781 1.00 0.31 H new ATOM 0 HA LYS A 30 5.672 -6.074 7.146 1.00 0.30 H new ATOM 0 HB2 LYS A 30 3.841 -6.412 4.749 1.00 0.33 H new ATOM 0 HB3 LYS A 30 5.496 -5.857 4.600 1.00 0.33 H new ATOM 0 HG2 LYS A 30 4.719 -8.502 5.854 1.00 0.37 H new ATOM 0 HG3 LYS A 30 5.135 -8.306 4.163 1.00 0.37 H new ATOM 0 HD2 LYS A 30 7.348 -7.331 4.868 1.00 0.38 H new ATOM 0 HD3 LYS A 30 6.927 -7.667 6.536 1.00 0.38 H new ATOM 0 HE2 LYS A 30 6.829 -10.052 6.116 1.00 0.48 H new ATOM 0 HE3 LYS A 30 6.963 -9.811 4.385 1.00 0.48 H new ATOM 0 HZ1 LYS A 30 9.010 -10.277 6.079 1.00 1.02 H new ATOM 0 HZ2 LYS A 30 9.151 -9.645 4.510 1.00 1.02 H new ATOM 0 HZ3 LYS A 30 9.109 -8.598 5.846 1.00 1.02 H new ATOM 447 N SER A 31 5.527 -3.689 7.082 1.00 0.26 N ATOM 448 CA SER A 31 5.606 -2.309 6.919 1.00 0.28 C ATOM 449 C SER A 31 6.337 -2.039 5.598 1.00 0.43 C ATOM 450 O SER A 31 7.503 -2.427 5.451 1.00 1.05 O ATOM 451 CB SER A 31 6.335 -1.741 8.124 1.00 0.28 C ATOM 452 OG SER A 31 7.457 -2.559 8.440 1.00 1.16 O ATOM 0 H SER A 31 6.238 -4.087 7.695 1.00 0.26 H new ATOM 0 HA SER A 31 4.629 -1.830 6.865 1.00 0.28 H new ATOM 0 HB2 SER A 31 6.663 -0.723 7.915 1.00 0.28 H new ATOM 0 HB3 SER A 31 5.659 -1.689 8.978 1.00 0.28 H new ATOM 0 HG SER A 31 7.622 -2.529 9.405 1.00 1.16 H new ATOM 458 N PHE A 32 5.585 -1.547 4.608 1.00 0.26 N ATOM 459 CA PHE A 32 6.102 -1.148 3.274 1.00 0.25 C ATOM 460 C PHE A 32 7.554 -0.652 3.286 1.00 0.26 C ATOM 461 O PHE A 32 8.493 -1.428 3.067 1.00 0.32 O ATOM 462 CB PHE A 32 5.226 -0.065 2.659 1.00 0.32 C ATOM 463 CG PHE A 32 3.900 -0.514 2.175 1.00 0.26 C ATOM 464 CD1 PHE A 32 3.796 -1.228 1.006 1.00 0.33 C ATOM 465 CD2 PHE A 32 2.754 -0.192 2.864 1.00 0.26 C ATOM 466 CE1 PHE A 32 2.568 -1.617 0.528 1.00 0.36 C ATOM 467 CE2 PHE A 32 1.523 -0.583 2.393 1.00 0.28 C ATOM 468 CZ PHE A 32 1.432 -1.293 1.221 1.00 0.32 C ATOM 0 H PHE A 32 4.579 -1.408 4.703 1.00 0.26 H new ATOM 0 HA PHE A 32 6.075 -2.059 2.677 1.00 0.25 H new ATOM 0 HB2 PHE A 32 5.076 0.720 3.400 1.00 0.32 H new ATOM 0 HB3 PHE A 32 5.765 0.383 1.824 1.00 0.32 H new ATOM 0 HD1 PHE A 32 4.689 -1.486 0.457 1.00 0.33 H new ATOM 0 HD2 PHE A 32 2.822 0.372 3.782 1.00 0.26 H new ATOM 0 HE1 PHE A 32 2.499 -2.177 -0.393 1.00 0.36 H new ATOM 0 HE2 PHE A 32 0.629 -0.332 2.944 1.00 0.28 H new ATOM 0 HZ PHE A 32 0.465 -1.596 0.846 1.00 0.32 H new ATOM 478 N THR A 33 7.744 0.610 3.539 1.00 0.27 N ATOM 479 CA THR A 33 9.055 1.202 3.617 1.00 0.31 C ATOM 480 C THR A 33 9.812 0.899 4.926 1.00 0.33 C ATOM 481 O THR A 33 10.544 1.743 5.435 1.00 0.47 O ATOM 482 CB THR A 33 8.901 2.689 3.441 1.00 0.37 C ATOM 483 OG1 THR A 33 7.479 3.004 3.470 1.00 0.47 O ATOM 484 CG2 THR A 33 9.494 3.099 2.130 1.00 0.39 C ATOM 0 H THR A 33 6.983 1.270 3.700 1.00 0.27 H new ATOM 0 HA THR A 33 9.662 0.759 2.828 1.00 0.31 H new ATOM 0 HB THR A 33 9.416 3.225 4.238 1.00 0.37 H new ATOM 0 HG1 THR A 33 7.356 3.970 3.359 1.00 0.47 H new ATOM 0 HG21 THR A 33 9.383 4.176 2.001 1.00 0.39 H new ATOM 0 HG22 THR A 33 10.552 2.838 2.112 1.00 0.39 H new ATOM 0 HG23 THR A 33 8.979 2.582 1.320 1.00 0.39 H new ATOM 492 N ASP A 34 9.723 -0.322 5.408 1.00 0.34 N ATOM 493 CA ASP A 34 10.421 -0.691 6.629 1.00 0.39 C ATOM 494 C ASP A 34 10.810 -2.166 6.655 1.00 0.42 C ATOM 495 O ASP A 34 11.990 -2.487 6.566 1.00 0.57 O ATOM 496 CB ASP A 34 9.607 -0.304 7.862 1.00 0.43 C ATOM 497 CG ASP A 34 10.237 -0.768 9.153 1.00 0.59 C ATOM 498 OD1 ASP A 34 11.159 -0.103 9.655 1.00 0.72 O ATOM 499 OD2 ASP A 34 9.812 -1.809 9.686 1.00 0.73 O ATOM 0 H ASP A 34 9.180 -1.073 4.981 1.00 0.34 H new ATOM 0 HA ASP A 34 11.353 -0.126 6.648 1.00 0.39 H new ATOM 0 HB2 ASP A 34 9.492 0.780 7.889 1.00 0.43 H new ATOM 0 HB3 ASP A 34 8.607 -0.729 7.779 1.00 0.43 H new ATOM 504 N ASP A 35 9.831 -3.057 6.744 1.00 0.36 N ATOM 505 CA ASP A 35 10.118 -4.497 6.802 1.00 0.43 C ATOM 506 C ASP A 35 10.385 -5.001 5.400 1.00 0.44 C ATOM 507 O ASP A 35 11.339 -5.743 5.167 1.00 0.58 O ATOM 508 CB ASP A 35 8.951 -5.296 7.421 1.00 0.48 C ATOM 509 CG ASP A 35 9.385 -6.668 7.943 1.00 0.95 C ATOM 510 OD1 ASP A 35 9.490 -7.630 7.170 1.00 1.34 O ATOM 511 OD2 ASP A 35 9.610 -6.813 9.161 1.00 1.46 O ATOM 0 H ASP A 35 8.840 -2.819 6.778 1.00 0.36 H new ATOM 0 HA ASP A 35 10.991 -4.643 7.438 1.00 0.43 H new ATOM 0 HB2 ASP A 35 8.517 -4.722 8.239 1.00 0.48 H new ATOM 0 HB3 ASP A 35 8.169 -5.427 6.673 1.00 0.48 H new ATOM 516 N LEU A 36 9.543 -4.561 4.460 1.00 0.36 N ATOM 517 CA LEU A 36 9.705 -4.916 3.046 1.00 0.39 C ATOM 518 C LEU A 36 10.900 -4.170 2.494 1.00 0.46 C ATOM 519 O LEU A 36 11.752 -4.745 1.816 1.00 0.58 O ATOM 520 CB LEU A 36 8.453 -4.529 2.236 1.00 0.35 C ATOM 521 CG LEU A 36 7.150 -5.249 2.581 1.00 0.33 C ATOM 522 CD1 LEU A 36 5.991 -4.622 1.822 1.00 0.35 C ATOM 523 CD2 LEU A 36 7.253 -6.724 2.233 1.00 0.34 C ATOM 0 H LEU A 36 8.743 -3.959 4.652 1.00 0.36 H new ATOM 0 HA LEU A 36 9.851 -5.993 2.966 1.00 0.39 H new ATOM 0 HB2 LEU A 36 8.290 -3.458 2.357 1.00 0.35 H new ATOM 0 HB3 LEU A 36 8.666 -4.702 1.181 1.00 0.35 H new ATOM 0 HG LEU A 36 6.972 -5.151 3.652 1.00 0.33 H new ATOM 0 HD11 LEU A 36 5.067 -5.142 2.075 1.00 0.35 H new ATOM 0 HD12 LEU A 36 5.903 -3.571 2.096 1.00 0.35 H new ATOM 0 HD13 LEU A 36 6.172 -4.703 0.750 1.00 0.35 H new ATOM 0 HD21 LEU A 36 6.317 -7.223 2.484 1.00 0.34 H new ATOM 0 HD22 LEU A 36 7.447 -6.833 1.166 1.00 0.34 H new ATOM 0 HD23 LEU A 36 8.068 -7.175 2.798 1.00 0.34 H new ATOM 535 N ASP A 37 10.927 -2.876 2.809 1.00 0.41 N ATOM 536 CA ASP A 37 11.976 -1.941 2.439 1.00 0.52 C ATOM 537 C ASP A 37 11.885 -1.579 0.970 1.00 0.63 C ATOM 538 O ASP A 37 12.489 -2.202 0.100 1.00 0.85 O ATOM 539 CB ASP A 37 13.386 -2.398 2.855 1.00 0.75 C ATOM 540 CG ASP A 37 14.428 -1.344 2.591 1.00 0.91 C ATOM 541 OD1 ASP A 37 14.408 -0.290 3.278 1.00 1.02 O ATOM 542 OD2 ASP A 37 15.302 -1.547 1.731 1.00 1.14 O ATOM 0 H ASP A 37 10.184 -2.437 3.353 1.00 0.41 H new ATOM 0 HA ASP A 37 11.802 -1.032 3.015 1.00 0.52 H new ATOM 0 HB2 ASP A 37 13.386 -2.649 3.916 1.00 0.75 H new ATOM 0 HB3 ASP A 37 13.646 -3.307 2.313 1.00 0.75 H new ATOM 547 N VAL A 38 11.065 -0.596 0.716 1.00 0.56 N ATOM 548 CA VAL A 38 10.771 -0.126 -0.615 1.00 0.80 C ATOM 549 C VAL A 38 11.796 0.944 -1.034 1.00 0.70 C ATOM 550 O VAL A 38 12.855 0.626 -1.590 1.00 0.96 O ATOM 551 CB VAL A 38 9.294 0.443 -0.651 1.00 1.06 C ATOM 552 CG1 VAL A 38 8.921 1.076 -1.998 1.00 0.89 C ATOM 553 CG2 VAL A 38 8.300 -0.661 -0.303 1.00 1.79 C ATOM 0 H VAL A 38 10.569 -0.085 1.446 1.00 0.56 H new ATOM 0 HA VAL A 38 10.843 -0.950 -1.325 1.00 0.80 H new ATOM 0 HB VAL A 38 9.249 1.238 0.093 1.00 1.06 H new ATOM 0 HG11 VAL A 38 7.897 1.446 -1.955 1.00 0.89 H new ATOM 0 HG12 VAL A 38 9.597 1.904 -2.210 1.00 0.89 H new ATOM 0 HG13 VAL A 38 9.004 0.328 -2.787 1.00 0.89 H new ATOM 0 HG21 VAL A 38 7.287 -0.260 -0.330 1.00 1.79 H new ATOM 0 HG22 VAL A 38 8.389 -1.472 -1.026 1.00 1.79 H new ATOM 0 HG23 VAL A 38 8.513 -1.041 0.696 1.00 1.79 H new ATOM 563 N ASP A 39 11.466 2.176 -0.732 1.00 0.50 N ATOM 564 CA ASP A 39 12.214 3.377 -1.044 1.00 0.50 C ATOM 565 C ASP A 39 11.271 4.469 -0.672 1.00 0.53 C ATOM 566 O ASP A 39 10.072 4.219 -0.559 1.00 0.78 O ATOM 567 CB ASP A 39 12.490 3.525 -2.537 1.00 0.56 C ATOM 568 CG ASP A 39 13.443 4.647 -2.885 1.00 0.66 C ATOM 569 OD1 ASP A 39 12.965 5.779 -3.074 1.00 0.69 O ATOM 570 OD2 ASP A 39 14.662 4.429 -2.976 1.00 0.79 O ATOM 0 H ASP A 39 10.606 2.384 -0.225 1.00 0.50 H new ATOM 0 HA ASP A 39 13.177 3.376 -0.533 1.00 0.50 H new ATOM 0 HB2 ASP A 39 12.898 2.587 -2.914 1.00 0.56 H new ATOM 0 HB3 ASP A 39 11.545 3.692 -3.054 1.00 0.56 H new ATOM 575 N SER A 40 11.736 5.631 -0.612 1.00 0.59 N ATOM 576 CA SER A 40 10.957 6.737 -0.130 1.00 0.68 C ATOM 577 C SER A 40 10.186 7.329 -1.290 1.00 0.64 C ATOM 578 O SER A 40 8.996 7.640 -1.192 1.00 0.71 O ATOM 579 CB SER A 40 11.886 7.788 0.495 1.00 0.90 C ATOM 580 OG SER A 40 11.120 8.886 1.098 1.00 1.23 O ATOM 0 H SER A 40 12.684 5.878 -0.895 1.00 0.59 H new ATOM 0 HA SER A 40 10.256 6.401 0.634 1.00 0.68 H new ATOM 0 HB2 SER A 40 12.511 7.318 1.254 1.00 0.90 H new ATOM 0 HB3 SER A 40 12.555 8.185 -0.268 1.00 0.90 H new ATOM 0 HG SER A 40 11.737 9.539 1.489 1.00 1.23 H new ATOM 585 N LEU A 41 10.842 7.394 -2.407 1.00 0.60 N ATOM 586 CA LEU A 41 10.298 8.053 -3.555 1.00 0.64 C ATOM 587 C LEU A 41 9.447 7.086 -4.351 1.00 0.54 C ATOM 588 O LEU A 41 8.438 7.472 -4.949 1.00 0.60 O ATOM 589 CB LEU A 41 11.418 8.672 -4.394 1.00 0.75 C ATOM 590 CG LEU A 41 12.425 9.550 -3.611 1.00 0.89 C ATOM 591 CD1 LEU A 41 13.398 10.236 -4.551 1.00 1.02 C ATOM 592 CD2 LEU A 41 11.721 10.566 -2.693 1.00 1.02 C ATOM 0 H LEU A 41 11.769 6.992 -2.549 1.00 0.60 H new ATOM 0 HA LEU A 41 9.651 8.870 -3.235 1.00 0.64 H new ATOM 0 HB2 LEU A 41 11.967 7.869 -4.886 1.00 0.75 H new ATOM 0 HB3 LEU A 41 10.968 9.278 -5.180 1.00 0.75 H new ATOM 0 HG LEU A 41 12.995 8.883 -2.964 1.00 0.89 H new ATOM 0 HD11 LEU A 41 14.093 10.846 -3.974 1.00 1.02 H new ATOM 0 HD12 LEU A 41 13.954 9.484 -5.111 1.00 1.02 H new ATOM 0 HD13 LEU A 41 12.847 10.872 -5.244 1.00 1.02 H new ATOM 0 HD21 LEU A 41 12.468 11.158 -2.165 1.00 1.02 H new ATOM 0 HD22 LEU A 41 11.093 11.225 -3.293 1.00 1.02 H new ATOM 0 HD23 LEU A 41 11.102 10.035 -1.970 1.00 1.02 H new ATOM 604 N SER A 42 9.820 5.813 -4.304 1.00 0.43 N ATOM 605 CA SER A 42 9.072 4.772 -4.965 1.00 0.38 C ATOM 606 C SER A 42 7.767 4.526 -4.214 1.00 0.30 C ATOM 607 O SER A 42 6.779 4.077 -4.781 1.00 0.33 O ATOM 608 CB SER A 42 9.911 3.501 -5.015 1.00 0.39 C ATOM 609 OG SER A 42 11.157 3.749 -5.649 1.00 1.02 O ATOM 0 H SER A 42 10.647 5.483 -3.807 1.00 0.43 H new ATOM 0 HA SER A 42 8.834 5.076 -5.984 1.00 0.38 H new ATOM 0 HB2 SER A 42 10.079 3.130 -4.004 1.00 0.39 H new ATOM 0 HB3 SER A 42 9.371 2.723 -5.555 1.00 0.39 H new ATOM 0 HG SER A 42 11.683 2.923 -5.671 1.00 1.02 H new ATOM 615 N MET A 43 7.773 4.862 -2.932 1.00 0.26 N ATOM 616 CA MET A 43 6.616 4.708 -2.082 1.00 0.26 C ATOM 617 C MET A 43 5.432 5.502 -2.614 1.00 0.25 C ATOM 618 O MET A 43 4.321 4.999 -2.717 1.00 0.26 O ATOM 619 CB MET A 43 6.943 5.188 -0.687 1.00 0.35 C ATOM 620 CG MET A 43 5.775 5.069 0.238 1.00 0.48 C ATOM 621 SD MET A 43 5.034 3.428 0.161 1.00 0.55 S ATOM 622 CE MET A 43 6.445 2.437 0.549 1.00 0.52 C ATOM 0 H MET A 43 8.587 5.250 -2.456 1.00 0.26 H new ATOM 0 HA MET A 43 6.348 3.651 -2.065 1.00 0.26 H new ATOM 0 HB2 MET A 43 7.778 4.610 -0.292 1.00 0.35 H new ATOM 0 HB3 MET A 43 7.267 6.228 -0.729 1.00 0.35 H new ATOM 0 HG2 MET A 43 6.096 5.277 1.259 1.00 0.48 H new ATOM 0 HG3 MET A 43 5.027 5.819 -0.020 1.00 0.48 H new ATOM 0 HE1 MET A 43 6.516 1.611 -0.159 1.00 0.52 H new ATOM 0 HE2 MET A 43 7.346 3.047 0.486 1.00 0.52 H new ATOM 0 HE3 MET A 43 6.345 2.041 1.559 1.00 0.52 H new ATOM 632 N VAL A 44 5.703 6.723 -3.021 1.00 0.29 N ATOM 633 CA VAL A 44 4.676 7.634 -3.488 1.00 0.33 C ATOM 634 C VAL A 44 4.039 7.132 -4.795 1.00 0.26 C ATOM 635 O VAL A 44 2.876 7.426 -5.092 1.00 0.28 O ATOM 636 CB VAL A 44 5.239 9.073 -3.644 1.00 0.47 C ATOM 637 CG1 VAL A 44 4.148 10.072 -4.015 1.00 0.55 C ATOM 638 CG2 VAL A 44 5.931 9.498 -2.358 1.00 0.56 C ATOM 0 H VAL A 44 6.645 7.115 -3.038 1.00 0.29 H new ATOM 0 HA VAL A 44 3.889 7.668 -2.735 1.00 0.33 H new ATOM 0 HB VAL A 44 5.962 9.064 -4.460 1.00 0.47 H new ATOM 0 HG11 VAL A 44 4.584 11.066 -4.114 1.00 0.55 H new ATOM 0 HG12 VAL A 44 3.693 9.779 -4.961 1.00 0.55 H new ATOM 0 HG13 VAL A 44 3.387 10.086 -3.235 1.00 0.55 H new ATOM 0 HG21 VAL A 44 6.324 10.508 -2.473 1.00 0.56 H new ATOM 0 HG22 VAL A 44 5.215 9.479 -1.536 1.00 0.56 H new ATOM 0 HG23 VAL A 44 6.750 8.812 -2.142 1.00 0.56 H new ATOM 648 N GLU A 45 4.776 6.305 -5.528 1.00 0.24 N ATOM 649 CA GLU A 45 4.274 5.741 -6.753 1.00 0.22 C ATOM 650 C GLU A 45 3.271 4.651 -6.426 1.00 0.19 C ATOM 651 O GLU A 45 2.279 4.489 -7.115 1.00 0.21 O ATOM 652 CB GLU A 45 5.410 5.176 -7.578 1.00 0.29 C ATOM 653 CG GLU A 45 6.491 6.171 -7.908 1.00 0.47 C ATOM 654 CD GLU A 45 7.604 5.540 -8.683 1.00 1.18 C ATOM 655 OE1 GLU A 45 7.448 5.332 -9.906 1.00 1.25 O ATOM 656 OE2 GLU A 45 8.638 5.220 -8.100 1.00 2.08 O ATOM 0 H GLU A 45 5.724 6.016 -5.286 1.00 0.24 H new ATOM 0 HA GLU A 45 3.785 6.522 -7.335 1.00 0.22 H new ATOM 0 HB2 GLU A 45 5.855 4.340 -7.038 1.00 0.29 H new ATOM 0 HB3 GLU A 45 5.005 4.776 -8.507 1.00 0.29 H new ATOM 0 HG2 GLU A 45 6.066 6.993 -8.484 1.00 0.47 H new ATOM 0 HG3 GLU A 45 6.886 6.599 -6.986 1.00 0.47 H new ATOM 663 N VAL A 46 3.534 3.930 -5.348 1.00 0.20 N ATOM 664 CA VAL A 46 2.636 2.889 -4.866 1.00 0.22 C ATOM 665 C VAL A 46 1.323 3.539 -4.473 1.00 0.25 C ATOM 666 O VAL A 46 0.260 3.089 -4.868 1.00 0.31 O ATOM 667 CB VAL A 46 3.248 2.143 -3.636 1.00 0.27 C ATOM 668 CG1 VAL A 46 2.315 1.050 -3.123 1.00 0.52 C ATOM 669 CG2 VAL A 46 4.610 1.551 -3.987 1.00 0.49 C ATOM 0 H VAL A 46 4.374 4.048 -4.782 1.00 0.20 H new ATOM 0 HA VAL A 46 2.479 2.154 -5.655 1.00 0.22 H new ATOM 0 HB VAL A 46 3.377 2.876 -2.840 1.00 0.27 H new ATOM 0 HG11 VAL A 46 2.773 0.553 -2.268 1.00 0.52 H new ATOM 0 HG12 VAL A 46 1.367 1.494 -2.820 1.00 0.52 H new ATOM 0 HG13 VAL A 46 2.138 0.322 -3.914 1.00 0.52 H new ATOM 0 HG21 VAL A 46 5.018 1.036 -3.117 1.00 0.49 H new ATOM 0 HG22 VAL A 46 4.498 0.843 -4.808 1.00 0.49 H new ATOM 0 HG23 VAL A 46 5.288 2.350 -4.287 1.00 0.49 H new ATOM 679 N VAL A 47 1.430 4.620 -3.726 1.00 0.25 N ATOM 680 CA VAL A 47 0.278 5.389 -3.270 1.00 0.28 C ATOM 681 C VAL A 47 -0.551 5.888 -4.465 1.00 0.27 C ATOM 682 O VAL A 47 -1.740 5.595 -4.565 1.00 0.30 O ATOM 683 CB VAL A 47 0.727 6.609 -2.440 1.00 0.31 C ATOM 684 CG1 VAL A 47 -0.481 7.320 -1.845 1.00 0.38 C ATOM 685 CG2 VAL A 47 1.701 6.194 -1.350 1.00 0.32 C ATOM 0 H VAL A 47 2.325 4.997 -3.413 1.00 0.25 H new ATOM 0 HA VAL A 47 -0.330 4.729 -2.651 1.00 0.28 H new ATOM 0 HB VAL A 47 1.243 7.304 -3.103 1.00 0.31 H new ATOM 0 HG11 VAL A 47 -0.147 8.179 -1.262 1.00 0.38 H new ATOM 0 HG12 VAL A 47 -1.136 7.659 -2.648 1.00 0.38 H new ATOM 0 HG13 VAL A 47 -1.026 6.632 -1.198 1.00 0.38 H new ATOM 0 HG21 VAL A 47 2.003 7.072 -0.779 1.00 0.32 H new ATOM 0 HG22 VAL A 47 1.219 5.476 -0.686 1.00 0.32 H new ATOM 0 HG23 VAL A 47 2.580 5.736 -1.803 1.00 0.32 H new ATOM 695 N VAL A 48 0.095 6.643 -5.351 1.00 0.25 N ATOM 696 CA VAL A 48 -0.562 7.235 -6.521 1.00 0.28 C ATOM 697 C VAL A 48 -1.250 6.165 -7.387 1.00 0.28 C ATOM 698 O VAL A 48 -2.371 6.346 -7.867 1.00 0.31 O ATOM 699 CB VAL A 48 0.458 8.078 -7.349 1.00 0.35 C ATOM 700 CG1 VAL A 48 1.308 7.280 -8.309 1.00 0.56 C ATOM 701 CG2 VAL A 48 -0.161 9.302 -7.986 1.00 0.58 C ATOM 0 H VAL A 48 1.088 6.863 -5.281 1.00 0.25 H new ATOM 0 HA VAL A 48 -1.346 7.905 -6.167 1.00 0.28 H new ATOM 0 HB VAL A 48 1.165 8.444 -6.605 1.00 0.35 H new ATOM 0 HG11 VAL A 48 1.985 7.950 -8.839 1.00 0.56 H new ATOM 0 HG12 VAL A 48 1.888 6.542 -7.755 1.00 0.56 H new ATOM 0 HG13 VAL A 48 0.665 6.771 -9.027 1.00 0.56 H new ATOM 0 HG21 VAL A 48 0.600 9.844 -8.547 1.00 0.58 H new ATOM 0 HG22 VAL A 48 -0.960 8.996 -8.661 1.00 0.58 H new ATOM 0 HG23 VAL A 48 -0.570 9.949 -7.210 1.00 0.58 H new ATOM 711 N ALA A 49 -0.577 5.053 -7.550 1.00 0.29 N ATOM 712 CA ALA A 49 -1.111 3.928 -8.318 1.00 0.34 C ATOM 713 C ALA A 49 -2.263 3.255 -7.580 1.00 0.36 C ATOM 714 O ALA A 49 -3.239 2.817 -8.196 1.00 0.42 O ATOM 715 CB ALA A 49 -0.023 2.916 -8.639 1.00 0.38 C ATOM 0 H ALA A 49 0.352 4.891 -7.161 1.00 0.29 H new ATOM 0 HA ALA A 49 -1.494 4.326 -9.258 1.00 0.34 H new ATOM 0 HB1 ALA A 49 -0.450 2.092 -9.210 1.00 0.38 H new ATOM 0 HB2 ALA A 49 0.760 3.397 -9.226 1.00 0.38 H new ATOM 0 HB3 ALA A 49 0.403 2.533 -7.712 1.00 0.38 H new ATOM 721 N ALA A 50 -2.165 3.211 -6.257 1.00 0.34 N ATOM 722 CA ALA A 50 -3.171 2.585 -5.410 1.00 0.37 C ATOM 723 C ALA A 50 -4.526 3.250 -5.580 1.00 0.36 C ATOM 724 O ALA A 50 -5.561 2.584 -5.548 1.00 0.38 O ATOM 725 CB ALA A 50 -2.750 2.610 -3.945 1.00 0.38 C ATOM 0 H ALA A 50 -1.382 3.610 -5.740 1.00 0.34 H new ATOM 0 HA ALA A 50 -3.259 1.545 -5.725 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.520 2.136 -3.337 1.00 0.38 H new ATOM 0 HB2 ALA A 50 -1.811 2.069 -3.827 1.00 0.38 H new ATOM 0 HB3 ALA A 50 -2.617 3.643 -3.622 1.00 0.38 H new ATOM 731 N GLU A 51 -4.511 4.550 -5.811 1.00 0.36 N ATOM 732 CA GLU A 51 -5.717 5.329 -6.009 1.00 0.39 C ATOM 733 C GLU A 51 -6.553 4.751 -7.165 1.00 0.42 C ATOM 734 O GLU A 51 -7.775 4.588 -7.059 1.00 0.53 O ATOM 735 CB GLU A 51 -5.334 6.778 -6.278 1.00 0.37 C ATOM 736 CG GLU A 51 -4.490 7.390 -5.166 1.00 0.47 C ATOM 737 CD GLU A 51 -4.072 8.810 -5.450 1.00 0.94 C ATOM 738 OE1 GLU A 51 -3.009 9.040 -6.054 1.00 1.36 O ATOM 739 OE2 GLU A 51 -4.783 9.729 -5.067 1.00 1.11 O ATOM 0 H GLU A 51 -3.653 5.099 -5.867 1.00 0.36 H new ATOM 0 HA GLU A 51 -6.331 5.285 -5.110 1.00 0.39 H new ATOM 0 HB2 GLU A 51 -4.783 6.834 -7.217 1.00 0.37 H new ATOM 0 HB3 GLU A 51 -6.241 7.370 -6.405 1.00 0.37 H new ATOM 0 HG2 GLU A 51 -5.055 7.364 -4.234 1.00 0.47 H new ATOM 0 HG3 GLU A 51 -3.600 6.779 -5.016 1.00 0.47 H new ATOM 746 N GLU A 52 -5.886 4.385 -8.228 1.00 0.40 N ATOM 747 CA GLU A 52 -6.538 3.805 -9.380 1.00 0.48 C ATOM 748 C GLU A 52 -6.764 2.300 -9.196 1.00 0.43 C ATOM 749 O GLU A 52 -7.802 1.765 -9.585 1.00 0.55 O ATOM 750 CB GLU A 52 -5.710 4.066 -10.630 1.00 0.61 C ATOM 751 CG GLU A 52 -6.262 3.416 -11.878 1.00 0.77 C ATOM 752 CD GLU A 52 -5.472 3.759 -13.089 1.00 1.23 C ATOM 753 OE1 GLU A 52 -4.491 3.046 -13.402 1.00 2.09 O ATOM 754 OE2 GLU A 52 -5.801 4.758 -13.747 1.00 1.49 O ATOM 0 H GLU A 52 -4.875 4.479 -8.323 1.00 0.40 H new ATOM 0 HA GLU A 52 -7.515 4.276 -9.490 1.00 0.48 H new ATOM 0 HB2 GLU A 52 -5.644 5.142 -10.792 1.00 0.61 H new ATOM 0 HB3 GLU A 52 -4.695 3.706 -10.463 1.00 0.61 H new ATOM 0 HG2 GLU A 52 -6.272 2.334 -11.748 1.00 0.77 H new ATOM 0 HG3 GLU A 52 -7.296 3.729 -12.021 1.00 0.77 H new ATOM 761 N ARG A 53 -5.817 1.653 -8.545 1.00 0.34 N ATOM 762 CA ARG A 53 -5.803 0.201 -8.387 1.00 0.34 C ATOM 763 C ARG A 53 -6.945 -0.270 -7.511 1.00 0.31 C ATOM 764 O ARG A 53 -7.540 -1.330 -7.747 1.00 0.44 O ATOM 765 CB ARG A 53 -4.458 -0.228 -7.777 1.00 0.40 C ATOM 766 CG ARG A 53 -4.284 -1.725 -7.453 1.00 0.53 C ATOM 767 CD ARG A 53 -4.280 -2.616 -8.688 1.00 0.70 C ATOM 768 NE ARG A 53 -5.591 -2.730 -9.321 1.00 1.27 N ATOM 769 CZ ARG A 53 -5.859 -3.458 -10.404 1.00 1.88 C ATOM 770 NH1 ARG A 53 -4.938 -4.275 -10.921 1.00 2.23 N ATOM 771 NH2 ARG A 53 -7.066 -3.417 -10.928 1.00 2.75 N ATOM 0 H ARG A 53 -5.025 2.120 -8.104 1.00 0.34 H new ATOM 0 HA ARG A 53 -5.929 -0.256 -9.368 1.00 0.34 H new ATOM 0 HB2 ARG A 53 -3.665 0.064 -8.465 1.00 0.40 H new ATOM 0 HB3 ARG A 53 -4.307 0.338 -6.858 1.00 0.40 H new ATOM 0 HG2 ARG A 53 -3.349 -1.865 -6.910 1.00 0.53 H new ATOM 0 HG3 ARG A 53 -5.089 -2.041 -6.789 1.00 0.53 H new ATOM 0 HD2 ARG A 53 -3.568 -2.219 -9.412 1.00 0.70 H new ATOM 0 HD3 ARG A 53 -3.931 -3.610 -8.409 1.00 0.70 H new ATOM 0 HE ARG A 53 -6.362 -2.211 -8.901 1.00 1.27 H new ATOM 0 HH11 ARG A 53 -4.018 -4.346 -10.486 1.00 2.23 H new ATOM 0 HH12 ARG A 53 -5.154 -4.828 -11.751 1.00 2.23 H new ATOM 0 HH21 ARG A 53 -7.786 -2.831 -10.505 1.00 2.75 H new ATOM 0 HH22 ARG A 53 -7.281 -3.971 -11.757 1.00 2.75 H new ATOM 785 N PHE A 54 -7.233 0.500 -6.516 1.00 0.25 N ATOM 786 CA PHE A 54 -8.247 0.158 -5.560 1.00 0.31 C ATOM 787 C PHE A 54 -9.531 0.913 -5.821 1.00 0.32 C ATOM 788 O PHE A 54 -10.571 0.567 -5.272 1.00 0.36 O ATOM 789 CB PHE A 54 -7.750 0.487 -4.163 1.00 0.38 C ATOM 790 CG PHE A 54 -6.579 -0.326 -3.693 1.00 0.38 C ATOM 791 CD1 PHE A 54 -5.297 -0.030 -4.107 1.00 0.62 C ATOM 792 CD2 PHE A 54 -6.761 -1.369 -2.822 1.00 0.69 C ATOM 793 CE1 PHE A 54 -4.228 -0.757 -3.668 1.00 0.63 C ATOM 794 CE2 PHE A 54 -5.689 -2.096 -2.378 1.00 0.73 C ATOM 795 CZ PHE A 54 -4.426 -1.788 -2.804 1.00 0.46 C ATOM 0 H PHE A 54 -6.772 1.392 -6.337 1.00 0.25 H new ATOM 0 HA PHE A 54 -8.454 -0.908 -5.650 1.00 0.31 H new ATOM 0 HB2 PHE A 54 -7.476 1.541 -4.131 1.00 0.38 H new ATOM 0 HB3 PHE A 54 -8.572 0.350 -3.461 1.00 0.38 H new ATOM 0 HD1 PHE A 54 -5.136 0.791 -4.790 1.00 0.62 H new ATOM 0 HD2 PHE A 54 -7.756 -1.619 -2.484 1.00 0.69 H new ATOM 0 HE1 PHE A 54 -3.231 -0.515 -4.005 1.00 0.63 H new ATOM 0 HE2 PHE A 54 -5.841 -2.914 -1.690 1.00 0.73 H new ATOM 0 HZ PHE A 54 -3.584 -2.366 -2.453 1.00 0.46 H new ATOM 805 N ASP A 55 -9.456 1.915 -6.691 1.00 0.38 N ATOM 806 CA ASP A 55 -10.576 2.837 -6.950 1.00 0.45 C ATOM 807 C ASP A 55 -10.962 3.548 -5.681 1.00 0.50 C ATOM 808 O ASP A 55 -11.982 3.258 -5.062 1.00 0.89 O ATOM 809 CB ASP A 55 -11.808 2.175 -7.603 1.00 0.51 C ATOM 810 CG ASP A 55 -11.569 1.737 -9.015 1.00 1.10 C ATOM 811 OD1 ASP A 55 -11.543 2.597 -9.918 1.00 1.24 O ATOM 812 OD2 ASP A 55 -11.422 0.517 -9.267 1.00 2.02 O ATOM 0 H ASP A 55 -8.621 2.118 -7.240 1.00 0.38 H new ATOM 0 HA ASP A 55 -10.213 3.555 -7.685 1.00 0.45 H new ATOM 0 HB2 ASP A 55 -12.105 1.312 -7.008 1.00 0.51 H new ATOM 0 HB3 ASP A 55 -12.641 2.877 -7.584 1.00 0.51 H new ATOM 817 N VAL A 56 -10.096 4.418 -5.266 1.00 0.40 N ATOM 818 CA VAL A 56 -10.239 5.161 -4.050 1.00 0.48 C ATOM 819 C VAL A 56 -9.313 6.377 -4.184 1.00 0.67 C ATOM 820 O VAL A 56 -8.642 6.509 -5.207 1.00 1.61 O ATOM 821 CB VAL A 56 -9.880 4.242 -2.808 1.00 0.50 C ATOM 822 CG1 VAL A 56 -8.431 3.799 -2.827 1.00 1.07 C ATOM 823 CG2 VAL A 56 -10.256 4.842 -1.451 1.00 1.21 C ATOM 0 H VAL A 56 -9.243 4.639 -5.779 1.00 0.40 H new ATOM 0 HA VAL A 56 -11.262 5.497 -3.881 1.00 0.48 H new ATOM 0 HB VAL A 56 -10.509 3.360 -2.926 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -8.231 3.172 -1.958 1.00 1.07 H new ATOM 0 HG12 VAL A 56 -8.236 3.231 -3.737 1.00 1.07 H new ATOM 0 HG13 VAL A 56 -7.782 4.675 -2.800 1.00 1.07 H new ATOM 0 HG21 VAL A 56 -9.976 4.150 -0.657 1.00 1.21 H new ATOM 0 HG22 VAL A 56 -9.729 5.786 -1.312 1.00 1.21 H new ATOM 0 HG23 VAL A 56 -11.331 5.018 -1.416 1.00 1.21 H new ATOM 833 N LYS A 57 -9.264 7.241 -3.225 1.00 0.51 N ATOM 834 CA LYS A 57 -8.397 8.373 -3.310 1.00 0.49 C ATOM 835 C LYS A 57 -7.592 8.464 -2.038 1.00 0.40 C ATOM 836 O LYS A 57 -8.095 8.901 -1.003 1.00 0.52 O ATOM 837 CB LYS A 57 -9.234 9.640 -3.552 1.00 0.67 C ATOM 838 CG LYS A 57 -8.442 10.857 -3.972 1.00 1.22 C ATOM 839 CD LYS A 57 -7.694 10.575 -5.249 1.00 1.26 C ATOM 840 CE LYS A 57 -6.935 11.782 -5.733 1.00 1.28 C ATOM 841 NZ LYS A 57 -5.984 11.421 -6.798 1.00 1.67 N ATOM 0 H LYS A 57 -9.816 7.186 -2.369 1.00 0.51 H new ATOM 0 HA LYS A 57 -7.705 8.270 -4.146 1.00 0.49 H new ATOM 0 HB2 LYS A 57 -9.977 9.425 -4.320 1.00 0.67 H new ATOM 0 HB3 LYS A 57 -9.779 9.877 -2.639 1.00 0.67 H new ATOM 0 HG2 LYS A 57 -9.112 11.705 -4.114 1.00 1.22 H new ATOM 0 HG3 LYS A 57 -7.741 11.133 -3.185 1.00 1.22 H new ATOM 0 HD2 LYS A 57 -7.000 9.750 -5.089 1.00 1.26 H new ATOM 0 HD3 LYS A 57 -8.397 10.255 -6.018 1.00 1.26 H new ATOM 0 HE2 LYS A 57 -7.635 12.530 -6.105 1.00 1.28 H new ATOM 0 HE3 LYS A 57 -6.397 12.235 -4.900 1.00 1.28 H new ATOM 0 HZ1 LYS A 57 -5.359 12.229 -6.994 1.00 1.67 H new ATOM 0 HZ2 LYS A 57 -5.413 10.608 -6.492 1.00 1.67 H new ATOM 0 HZ3 LYS A 57 -6.508 11.171 -7.661 1.00 1.67 H new ATOM 855 N ILE A 58 -6.371 7.985 -2.101 1.00 0.37 N ATOM 856 CA ILE A 58 -5.487 7.986 -0.959 1.00 0.33 C ATOM 857 C ILE A 58 -4.359 8.949 -1.250 1.00 0.32 C ATOM 858 O ILE A 58 -3.485 8.654 -2.068 1.00 0.35 O ATOM 859 CB ILE A 58 -4.861 6.591 -0.692 1.00 0.33 C ATOM 860 CG1 ILE A 58 -5.923 5.497 -0.772 1.00 0.39 C ATOM 861 CG2 ILE A 58 -4.203 6.577 0.701 1.00 0.38 C ATOM 862 CD1 ILE A 58 -5.363 4.098 -0.669 1.00 0.49 C ATOM 0 H ILE A 58 -5.963 7.584 -2.945 1.00 0.37 H new ATOM 0 HA ILE A 58 -6.068 8.270 -0.082 1.00 0.33 H new ATOM 0 HB ILE A 58 -4.107 6.397 -1.455 1.00 0.33 H new ATOM 0 HG12 ILE A 58 -6.648 5.648 0.027 1.00 0.39 H new ATOM 0 HG13 ILE A 58 -6.462 5.595 -1.714 1.00 0.39 H new ATOM 0 HG21 ILE A 58 -3.764 5.597 0.886 1.00 0.38 H new ATOM 0 HG22 ILE A 58 -3.423 7.337 0.743 1.00 0.38 H new ATOM 0 HG23 ILE A 58 -4.956 6.787 1.461 1.00 0.38 H new ATOM 0 HD11 ILE A 58 -6.176 3.375 -0.734 1.00 0.49 H new ATOM 0 HD12 ILE A 58 -4.659 3.927 -1.484 1.00 0.49 H new ATOM 0 HD13 ILE A 58 -4.849 3.981 0.285 1.00 0.49 H new ATOM 874 N PRO A 59 -4.378 10.118 -0.648 1.00 0.39 N ATOM 875 CA PRO A 59 -3.345 11.097 -0.864 1.00 0.44 C ATOM 876 C PRO A 59 -2.081 10.777 -0.075 1.00 0.37 C ATOM 877 O PRO A 59 -2.151 10.267 1.064 1.00 0.39 O ATOM 878 CB PRO A 59 -3.978 12.389 -0.361 1.00 0.62 C ATOM 879 CG PRO A 59 -4.947 11.961 0.683 1.00 0.57 C ATOM 880 CD PRO A 59 -5.417 10.590 0.292 1.00 0.50 C ATOM 0 HA PRO A 59 -3.028 11.141 -1.906 1.00 0.44 H new ATOM 0 HB2 PRO A 59 -3.226 13.063 0.050 1.00 0.62 H new ATOM 0 HB3 PRO A 59 -4.478 12.924 -1.168 1.00 0.62 H new ATOM 0 HG2 PRO A 59 -4.476 11.944 1.666 1.00 0.57 H new ATOM 0 HG3 PRO A 59 -5.785 12.656 0.743 1.00 0.57 H new ATOM 0 HD2 PRO A 59 -5.501 9.934 1.158 1.00 0.50 H new ATOM 0 HD3 PRO A 59 -6.399 10.623 -0.180 1.00 0.50 H new ATOM 888 N ASP A 60 -0.931 11.082 -0.676 1.00 0.39 N ATOM 889 CA ASP A 60 0.390 10.913 -0.044 1.00 0.46 C ATOM 890 C ASP A 60 0.458 11.606 1.321 1.00 0.50 C ATOM 891 O ASP A 60 1.145 11.161 2.225 1.00 0.63 O ATOM 892 CB ASP A 60 1.497 11.415 -0.980 1.00 0.64 C ATOM 893 CG ASP A 60 2.834 11.608 -0.289 1.00 1.34 C ATOM 894 OD1 ASP A 60 3.420 10.646 0.212 1.00 1.93 O ATOM 895 OD2 ASP A 60 3.296 12.763 -0.209 1.00 2.00 O ATOM 0 H ASP A 60 -0.883 11.457 -1.623 1.00 0.39 H new ATOM 0 HA ASP A 60 0.545 9.849 0.132 1.00 0.46 H new ATOM 0 HB2 ASP A 60 1.619 10.705 -1.798 1.00 0.64 H new ATOM 0 HB3 ASP A 60 1.186 12.361 -1.423 1.00 0.64 H new ATOM 900 N ASP A 61 -0.303 12.662 1.449 1.00 0.51 N ATOM 901 CA ASP A 61 -0.443 13.418 2.690 1.00 0.63 C ATOM 902 C ASP A 61 -0.774 12.499 3.873 1.00 0.62 C ATOM 903 O ASP A 61 -0.021 12.426 4.847 1.00 0.74 O ATOM 904 CB ASP A 61 -1.549 14.473 2.532 1.00 0.74 C ATOM 905 CG ASP A 61 -1.864 15.214 3.818 1.00 1.36 C ATOM 906 OD1 ASP A 61 -1.216 16.238 4.108 1.00 1.65 O ATOM 907 OD2 ASP A 61 -2.762 14.790 4.562 1.00 2.09 O ATOM 0 H ASP A 61 -0.860 13.038 0.682 1.00 0.51 H new ATOM 0 HA ASP A 61 0.510 13.906 2.896 1.00 0.63 H new ATOM 0 HB2 ASP A 61 -1.248 15.193 1.771 1.00 0.74 H new ATOM 0 HB3 ASP A 61 -2.455 13.987 2.170 1.00 0.74 H new ATOM 912 N ASP A 62 -1.875 11.786 3.773 1.00 0.57 N ATOM 913 CA ASP A 62 -2.320 10.934 4.869 1.00 0.65 C ATOM 914 C ASP A 62 -1.716 9.549 4.815 1.00 0.53 C ATOM 915 O ASP A 62 -1.582 8.891 5.849 1.00 0.59 O ATOM 916 CB ASP A 62 -3.838 10.862 4.932 1.00 0.80 C ATOM 917 CG ASP A 62 -4.331 10.101 6.139 1.00 0.98 C ATOM 918 OD1 ASP A 62 -4.313 10.656 7.262 1.00 1.58 O ATOM 919 OD2 ASP A 62 -4.748 8.950 6.005 1.00 1.54 O ATOM 0 H ASP A 62 -2.480 11.775 2.952 1.00 0.57 H new ATOM 0 HA ASP A 62 -1.959 11.400 5.786 1.00 0.65 H new ATOM 0 HB2 ASP A 62 -4.246 11.873 4.952 1.00 0.80 H new ATOM 0 HB3 ASP A 62 -4.214 10.385 4.027 1.00 0.80 H new ATOM 924 N VAL A 63 -1.292 9.134 3.627 1.00 0.42 N ATOM 925 CA VAL A 63 -0.759 7.784 3.400 1.00 0.39 C ATOM 926 C VAL A 63 0.445 7.492 4.306 1.00 0.44 C ATOM 927 O VAL A 63 0.724 6.348 4.642 1.00 0.50 O ATOM 928 CB VAL A 63 -0.370 7.545 1.915 1.00 0.41 C ATOM 929 CG1 VAL A 63 1.015 8.074 1.577 1.00 0.69 C ATOM 930 CG2 VAL A 63 -0.500 6.097 1.547 1.00 0.59 C ATOM 0 H VAL A 63 -1.305 9.718 2.791 1.00 0.42 H new ATOM 0 HA VAL A 63 -1.565 7.095 3.653 1.00 0.39 H new ATOM 0 HB VAL A 63 -1.077 8.116 1.314 1.00 0.41 H new ATOM 0 HG11 VAL A 63 1.233 7.879 0.527 1.00 0.69 H new ATOM 0 HG12 VAL A 63 1.049 9.148 1.762 1.00 0.69 H new ATOM 0 HG13 VAL A 63 1.757 7.575 2.200 1.00 0.69 H new ATOM 0 HG21 VAL A 63 -0.221 5.961 0.502 1.00 0.59 H new ATOM 0 HG22 VAL A 63 0.158 5.500 2.179 1.00 0.59 H new ATOM 0 HG23 VAL A 63 -1.531 5.776 1.692 1.00 0.59 H new ATOM 940 N LYS A 64 1.097 8.555 4.754 1.00 0.49 N ATOM 941 CA LYS A 64 2.271 8.461 5.586 1.00 0.63 C ATOM 942 C LYS A 64 1.938 7.866 6.960 1.00 0.64 C ATOM 943 O LYS A 64 2.822 7.468 7.705 1.00 0.85 O ATOM 944 CB LYS A 64 2.923 9.837 5.738 1.00 0.76 C ATOM 945 CG LYS A 64 3.200 10.535 4.409 1.00 0.76 C ATOM 946 CD LYS A 64 3.912 11.856 4.611 1.00 1.04 C ATOM 947 CE LYS A 64 3.970 12.685 3.324 1.00 1.55 C ATOM 948 NZ LYS A 64 4.652 12.002 2.204 1.00 2.44 N ATOM 0 H LYS A 64 0.817 9.513 4.544 1.00 0.49 H new ATOM 0 HA LYS A 64 2.977 7.789 5.098 1.00 0.63 H new ATOM 0 HB2 LYS A 64 2.275 10.471 6.343 1.00 0.76 H new ATOM 0 HB3 LYS A 64 3.861 9.727 6.283 1.00 0.76 H new ATOM 0 HG2 LYS A 64 3.807 9.887 3.777 1.00 0.76 H new ATOM 0 HG3 LYS A 64 2.260 10.704 3.883 1.00 0.76 H new ATOM 0 HD2 LYS A 64 3.401 12.427 5.386 1.00 1.04 H new ATOM 0 HD3 LYS A 64 4.925 11.670 4.967 1.00 1.04 H new ATOM 0 HE2 LYS A 64 2.954 12.937 3.019 1.00 1.55 H new ATOM 0 HE3 LYS A 64 4.483 13.624 3.531 1.00 1.55 H new ATOM 0 HZ1 LYS A 64 4.850 12.688 1.448 1.00 2.44 H new ATOM 0 HZ2 LYS A 64 5.546 11.591 2.541 1.00 2.44 H new ATOM 0 HZ3 LYS A 64 4.041 11.246 1.835 1.00 2.44 H new ATOM 962 N ASN A 65 0.655 7.789 7.267 1.00 0.51 N ATOM 963 CA ASN A 65 0.191 7.268 8.540 1.00 0.57 C ATOM 964 C ASN A 65 -0.197 5.804 8.419 1.00 0.50 C ATOM 965 O ASN A 65 -0.511 5.153 9.417 1.00 0.66 O ATOM 966 CB ASN A 65 -1.002 8.086 9.074 1.00 0.65 C ATOM 967 CG ASN A 65 -0.668 9.553 9.266 1.00 1.37 C ATOM 968 OD1 ASN A 65 -0.190 9.960 10.318 1.00 1.93 O ATOM 969 ND2 ASN A 65 -0.921 10.357 8.260 1.00 1.94 N ATOM 0 H ASN A 65 -0.094 8.086 6.641 1.00 0.51 H new ATOM 0 HA ASN A 65 1.015 7.354 9.249 1.00 0.57 H new ATOM 0 HB2 ASN A 65 -1.838 7.996 8.381 1.00 0.65 H new ATOM 0 HB3 ASN A 65 -1.329 7.665 10.025 1.00 0.65 H new ATOM 0 HD21 ASN A 65 -0.719 11.354 8.340 1.00 1.94 H new ATOM 0 HD22 ASN A 65 -1.319 9.985 7.398 1.00 1.94 H new ATOM 976 N LEU A 66 -0.176 5.274 7.202 1.00 0.42 N ATOM 977 CA LEU A 66 -0.544 3.884 6.991 1.00 0.43 C ATOM 978 C LEU A 66 0.568 2.968 7.456 1.00 0.66 C ATOM 979 O LEU A 66 0.327 2.059 8.223 1.00 1.67 O ATOM 980 CB LEU A 66 -0.920 3.598 5.527 1.00 0.41 C ATOM 981 CG LEU A 66 -2.155 4.334 4.988 1.00 0.38 C ATOM 982 CD1 LEU A 66 -2.411 3.956 3.547 1.00 0.45 C ATOM 983 CD2 LEU A 66 -3.373 4.016 5.823 1.00 0.39 C ATOM 0 H LEU A 66 0.089 5.780 6.357 1.00 0.42 H new ATOM 0 HA LEU A 66 -1.434 3.686 7.589 1.00 0.43 H new ATOM 0 HB2 LEU A 66 -0.067 3.854 4.898 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -1.086 2.526 5.419 1.00 0.41 H new ATOM 0 HG LEU A 66 -1.960 5.405 5.044 1.00 0.38 H new ATOM 0 HD11 LEU A 66 -3.290 4.487 3.182 1.00 0.45 H new ATOM 0 HD12 LEU A 66 -1.546 4.226 2.941 1.00 0.45 H new ATOM 0 HD13 LEU A 66 -2.582 2.882 3.477 1.00 0.45 H new ATOM 0 HD21 LEU A 66 -4.237 4.548 5.424 1.00 0.39 H new ATOM 0 HD22 LEU A 66 -3.563 2.943 5.796 1.00 0.39 H new ATOM 0 HD23 LEU A 66 -3.199 4.327 6.853 1.00 0.39 H new ATOM 995 N LYS A 67 1.782 3.227 6.972 1.00 0.54 N ATOM 996 CA LYS A 67 3.051 2.531 7.332 1.00 0.48 C ATOM 997 C LYS A 67 3.133 1.008 7.089 1.00 0.44 C ATOM 998 O LYS A 67 4.217 0.476 6.858 1.00 0.58 O ATOM 999 CB LYS A 67 3.720 3.015 8.673 1.00 0.60 C ATOM 1000 CG LYS A 67 2.837 3.113 9.933 1.00 0.99 C ATOM 1001 CD LYS A 67 2.343 1.765 10.456 1.00 1.79 C ATOM 1002 CE LYS A 67 1.448 1.972 11.671 1.00 2.52 C ATOM 1003 NZ LYS A 67 0.887 0.711 12.199 1.00 3.18 N ATOM 0 H LYS A 67 1.932 3.963 6.282 1.00 0.54 H new ATOM 0 HA LYS A 67 3.703 2.902 6.541 1.00 0.48 H new ATOM 0 HB2 LYS A 67 4.545 2.339 8.896 1.00 0.60 H new ATOM 0 HB3 LYS A 67 4.154 3.999 8.493 1.00 0.60 H new ATOM 0 HG2 LYS A 67 3.401 3.611 10.721 1.00 0.99 H new ATOM 0 HG3 LYS A 67 1.975 3.742 9.711 1.00 0.99 H new ATOM 0 HD2 LYS A 67 1.793 1.242 9.674 1.00 1.79 H new ATOM 0 HD3 LYS A 67 3.192 1.136 10.723 1.00 1.79 H new ATOM 0 HE2 LYS A 67 2.020 2.465 12.457 1.00 2.52 H new ATOM 0 HE3 LYS A 67 0.631 2.642 11.403 1.00 2.52 H new ATOM 0 HZ1 LYS A 67 0.261 0.919 13.003 1.00 3.18 H new ATOM 0 HZ2 LYS A 67 0.344 0.233 11.452 1.00 3.18 H new ATOM 0 HZ3 LYS A 67 1.661 0.092 12.515 1.00 3.18 H new ATOM 1017 N THR A 68 2.036 0.318 7.138 1.00 0.36 N ATOM 1018 CA THR A 68 2.043 -1.093 6.854 1.00 0.32 C ATOM 1019 C THR A 68 1.057 -1.423 5.789 1.00 0.30 C ATOM 1020 O THR A 68 0.215 -0.603 5.421 1.00 0.35 O ATOM 1021 CB THR A 68 1.700 -1.991 8.061 1.00 0.35 C ATOM 1022 OG1 THR A 68 0.409 -1.656 8.578 1.00 0.51 O ATOM 1023 CG2 THR A 68 2.740 -1.926 9.135 1.00 0.34 C ATOM 0 H THR A 68 1.121 0.704 7.372 1.00 0.36 H new ATOM 0 HA THR A 68 3.070 -1.297 6.549 1.00 0.32 H new ATOM 0 HB THR A 68 1.682 -3.021 7.705 1.00 0.35 H new ATOM 0 HG1 THR A 68 0.505 -1.279 9.478 1.00 0.51 H new ATOM 0 HG21 THR A 68 2.451 -2.576 9.961 1.00 0.34 H new ATOM 0 HG22 THR A 68 3.699 -2.254 8.734 1.00 0.34 H new ATOM 0 HG23 THR A 68 2.829 -0.901 9.494 1.00 0.34 H new ATOM 1031 N VAL A 69 1.127 -2.640 5.347 1.00 0.27 N ATOM 1032 CA VAL A 69 0.179 -3.199 4.429 1.00 0.26 C ATOM 1033 C VAL A 69 -1.175 -3.376 5.114 1.00 0.27 C ATOM 1034 O VAL A 69 -2.222 -3.089 4.528 1.00 0.34 O ATOM 1035 CB VAL A 69 0.683 -4.551 3.896 1.00 0.28 C ATOM 1036 CG1 VAL A 69 1.741 -4.355 2.839 1.00 0.29 C ATOM 1037 CG2 VAL A 69 1.282 -5.346 5.011 1.00 0.35 C ATOM 0 H VAL A 69 1.863 -3.290 5.621 1.00 0.27 H new ATOM 0 HA VAL A 69 0.063 -2.515 3.589 1.00 0.26 H new ATOM 0 HB VAL A 69 -0.169 -5.076 3.465 1.00 0.28 H new ATOM 0 HG11 VAL A 69 2.080 -5.326 2.479 1.00 0.29 H new ATOM 0 HG12 VAL A 69 1.324 -3.786 2.008 1.00 0.29 H new ATOM 0 HG13 VAL A 69 2.584 -3.811 3.265 1.00 0.29 H new ATOM 0 HG21 VAL A 69 1.637 -6.302 4.626 1.00 0.35 H new ATOM 0 HG22 VAL A 69 2.118 -4.795 5.442 1.00 0.35 H new ATOM 0 HG23 VAL A 69 0.528 -5.521 5.779 1.00 0.35 H new ATOM 1047 N GLY A 70 -1.141 -3.824 6.363 1.00 0.26 N ATOM 1048 CA GLY A 70 -2.348 -4.038 7.118 1.00 0.30 C ATOM 1049 C GLY A 70 -3.075 -2.757 7.412 1.00 0.28 C ATOM 1050 O GLY A 70 -4.303 -2.687 7.321 1.00 0.30 O ATOM 0 H GLY A 70 -0.282 -4.044 6.867 1.00 0.26 H new ATOM 0 HA2 GLY A 70 -3.006 -4.707 6.564 1.00 0.30 H new ATOM 0 HA3 GLY A 70 -2.103 -4.537 8.056 1.00 0.30 H new ATOM 1054 N ASP A 71 -2.340 -1.728 7.751 1.00 0.29 N ATOM 1055 CA ASP A 71 -2.959 -0.458 8.045 1.00 0.32 C ATOM 1056 C ASP A 71 -3.343 0.279 6.785 1.00 0.27 C ATOM 1057 O ASP A 71 -4.261 1.094 6.811 1.00 0.29 O ATOM 1058 CB ASP A 71 -2.126 0.413 8.968 1.00 0.46 C ATOM 1059 CG ASP A 71 -1.963 -0.166 10.355 1.00 1.01 C ATOM 1060 OD1 ASP A 71 -2.947 -0.173 11.148 1.00 1.19 O ATOM 1061 OD2 ASP A 71 -0.845 -0.605 10.699 1.00 1.79 O ATOM 0 H ASP A 71 -1.323 -1.742 7.830 1.00 0.29 H new ATOM 0 HA ASP A 71 -3.874 -0.688 8.590 1.00 0.32 H new ATOM 0 HB2 ASP A 71 -1.141 0.560 8.526 1.00 0.46 H new ATOM 0 HB3 ASP A 71 -2.591 1.396 9.045 1.00 0.46 H new ATOM 1066 N ALA A 72 -2.642 0.001 5.678 1.00 0.26 N ATOM 1067 CA ALA A 72 -3.037 0.537 4.374 1.00 0.26 C ATOM 1068 C ALA A 72 -4.408 -0.011 4.034 1.00 0.25 C ATOM 1069 O ALA A 72 -5.340 0.743 3.737 1.00 0.26 O ATOM 1070 CB ALA A 72 -2.033 0.159 3.296 1.00 0.29 C ATOM 0 H ALA A 72 -1.808 -0.586 5.661 1.00 0.26 H new ATOM 0 HA ALA A 72 -3.065 1.626 4.422 1.00 0.26 H new ATOM 0 HB1 ALA A 72 -2.354 0.571 2.339 1.00 0.29 H new ATOM 0 HB2 ALA A 72 -1.053 0.561 3.554 1.00 0.29 H new ATOM 0 HB3 ALA A 72 -1.971 -0.927 3.221 1.00 0.29 H new ATOM 1076 N THR A 73 -4.516 -1.335 4.097 1.00 0.25 N ATOM 1077 CA THR A 73 -5.756 -2.049 3.970 1.00 0.26 C ATOM 1078 C THR A 73 -6.845 -1.450 4.872 1.00 0.28 C ATOM 1079 O THR A 73 -7.930 -1.258 4.417 1.00 0.31 O ATOM 1080 CB THR A 73 -5.529 -3.520 4.328 1.00 0.27 C ATOM 1081 OG1 THR A 73 -4.524 -4.036 3.456 1.00 0.28 O ATOM 1082 CG2 THR A 73 -6.808 -4.331 4.169 1.00 0.28 C ATOM 0 H THR A 73 -3.713 -1.947 4.242 1.00 0.25 H new ATOM 0 HA THR A 73 -6.099 -1.965 2.939 1.00 0.26 H new ATOM 0 HB THR A 73 -5.217 -3.593 5.370 1.00 0.27 H new ATOM 0 HG1 THR A 73 -3.638 -3.851 3.832 1.00 0.28 H new ATOM 0 HG21 THR A 73 -6.614 -5.371 4.431 1.00 0.28 H new ATOM 0 HG22 THR A 73 -7.578 -3.929 4.827 1.00 0.28 H new ATOM 0 HG23 THR A 73 -7.149 -4.274 3.135 1.00 0.28 H new ATOM 1090 N LYS A 74 -6.525 -1.148 6.137 1.00 0.29 N ATOM 1091 CA LYS A 74 -7.481 -0.524 7.067 1.00 0.34 C ATOM 1092 C LYS A 74 -8.123 0.740 6.473 1.00 0.31 C ATOM 1093 O LYS A 74 -9.331 0.950 6.607 1.00 0.37 O ATOM 1094 CB LYS A 74 -6.777 -0.167 8.374 1.00 0.41 C ATOM 1095 CG LYS A 74 -7.657 0.532 9.393 1.00 0.58 C ATOM 1096 CD LYS A 74 -6.881 0.845 10.642 1.00 1.60 C ATOM 1097 CE LYS A 74 -7.763 1.485 11.715 1.00 2.24 C ATOM 1098 NZ LYS A 74 -8.289 2.805 11.302 1.00 2.93 N ATOM 0 H LYS A 74 -5.607 -1.326 6.543 1.00 0.29 H new ATOM 0 HA LYS A 74 -8.274 -1.248 7.253 1.00 0.34 H new ATOM 0 HB2 LYS A 74 -6.381 -1.080 8.820 1.00 0.41 H new ATOM 0 HB3 LYS A 74 -5.924 0.474 8.149 1.00 0.41 H new ATOM 0 HG2 LYS A 74 -8.055 1.453 8.966 1.00 0.58 H new ATOM 0 HG3 LYS A 74 -8.510 -0.100 9.638 1.00 0.58 H new ATOM 0 HD2 LYS A 74 -6.439 -0.071 11.034 1.00 1.60 H new ATOM 0 HD3 LYS A 74 -6.058 1.518 10.399 1.00 1.60 H new ATOM 0 HE2 LYS A 74 -8.596 0.820 11.940 1.00 2.24 H new ATOM 0 HE3 LYS A 74 -7.188 1.598 12.634 1.00 2.24 H new ATOM 0 HZ1 LYS A 74 -8.780 3.249 12.104 1.00 2.93 H new ATOM 0 HZ2 LYS A 74 -7.502 3.413 10.999 1.00 2.93 H new ATOM 0 HZ3 LYS A 74 -8.955 2.682 10.513 1.00 2.93 H new ATOM 1112 N TYR A 75 -7.322 1.528 5.767 1.00 0.26 N ATOM 1113 CA TYR A 75 -7.787 2.763 5.191 1.00 0.25 C ATOM 1114 C TYR A 75 -8.686 2.426 4.035 1.00 0.23 C ATOM 1115 O TYR A 75 -9.806 2.839 3.985 1.00 0.29 O ATOM 1116 CB TYR A 75 -6.589 3.605 4.705 1.00 0.29 C ATOM 1117 CG TYR A 75 -6.924 4.986 4.143 1.00 0.30 C ATOM 1118 CD1 TYR A 75 -7.292 5.160 2.810 1.00 0.36 C ATOM 1119 CD2 TYR A 75 -6.856 6.117 4.947 1.00 0.41 C ATOM 1120 CE1 TYR A 75 -7.582 6.413 2.307 1.00 0.42 C ATOM 1121 CE2 TYR A 75 -7.145 7.372 4.446 1.00 0.47 C ATOM 1122 CZ TYR A 75 -7.507 7.513 3.131 1.00 0.45 C ATOM 1123 OH TYR A 75 -7.806 8.760 2.631 1.00 0.53 O ATOM 0 H TYR A 75 -6.340 1.323 5.584 1.00 0.26 H new ATOM 0 HA TYR A 75 -8.331 3.345 5.934 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -5.898 3.732 5.538 1.00 0.29 H new ATOM 0 HB3 TYR A 75 -6.062 3.040 3.936 1.00 0.29 H new ATOM 0 HD1 TYR A 75 -7.351 4.300 2.159 1.00 0.36 H new ATOM 0 HD2 TYR A 75 -6.572 6.013 5.984 1.00 0.41 H new ATOM 0 HE1 TYR A 75 -7.866 6.529 1.272 1.00 0.42 H new ATOM 0 HE2 TYR A 75 -7.086 8.239 5.088 1.00 0.47 H new ATOM 0 HH TYR A 75 -7.706 9.429 3.340 1.00 0.53 H new ATOM 1133 N ILE A 76 -8.181 1.616 3.154 1.00 0.22 N ATOM 1134 CA ILE A 76 -8.854 1.216 1.946 1.00 0.23 C ATOM 1135 C ILE A 76 -10.130 0.464 2.263 1.00 0.24 C ATOM 1136 O ILE A 76 -11.161 0.816 1.767 1.00 0.27 O ATOM 1137 CB ILE A 76 -7.913 0.360 1.091 1.00 0.22 C ATOM 1138 CG1 ILE A 76 -6.603 1.126 0.870 1.00 0.23 C ATOM 1139 CG2 ILE A 76 -8.570 0.046 -0.245 1.00 0.25 C ATOM 1140 CD1 ILE A 76 -5.510 0.320 0.220 1.00 0.25 C ATOM 0 H ILE A 76 -7.256 1.198 3.256 1.00 0.22 H new ATOM 0 HA ILE A 76 -9.128 2.108 1.383 1.00 0.23 H new ATOM 0 HB ILE A 76 -7.702 -0.579 1.603 1.00 0.22 H new ATOM 0 HG12 ILE A 76 -6.808 2.001 0.253 1.00 0.23 H new ATOM 0 HG13 ILE A 76 -6.244 1.492 1.832 1.00 0.23 H new ATOM 0 HG21 ILE A 76 -7.896 -0.563 -0.848 1.00 0.25 H new ATOM 0 HG22 ILE A 76 -9.498 -0.500 -0.075 1.00 0.25 H new ATOM 0 HG23 ILE A 76 -8.788 0.976 -0.771 1.00 0.25 H new ATOM 0 HD11 ILE A 76 -4.621 0.940 0.102 1.00 0.25 H new ATOM 0 HD12 ILE A 76 -5.272 -0.541 0.845 1.00 0.25 H new ATOM 0 HD13 ILE A 76 -5.844 -0.024 -0.759 1.00 0.25 H new ATOM 1152 N LEU A 77 -10.048 -0.543 3.113 1.00 0.24 N ATOM 1153 CA LEU A 77 -11.209 -1.361 3.500 1.00 0.29 C ATOM 1154 C LEU A 77 -12.347 -0.492 4.036 1.00 0.34 C ATOM 1155 O LEU A 77 -13.520 -0.768 3.797 1.00 0.43 O ATOM 1156 CB LEU A 77 -10.803 -2.396 4.566 1.00 0.30 C ATOM 1157 CG LEU A 77 -11.898 -3.350 5.061 1.00 0.40 C ATOM 1158 CD1 LEU A 77 -12.409 -4.233 3.935 1.00 0.88 C ATOM 1159 CD2 LEU A 77 -11.389 -4.190 6.220 1.00 1.15 C ATOM 0 H LEU A 77 -9.177 -0.827 3.562 1.00 0.24 H new ATOM 0 HA LEU A 77 -11.561 -1.878 2.608 1.00 0.29 H new ATOM 0 HB2 LEU A 77 -9.987 -2.996 4.163 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -10.407 -1.858 5.427 1.00 0.30 H new ATOM 0 HG LEU A 77 -12.735 -2.748 5.414 1.00 0.40 H new ATOM 0 HD11 LEU A 77 -13.184 -4.898 4.317 1.00 0.88 H new ATOM 0 HD12 LEU A 77 -12.824 -3.609 3.143 1.00 0.88 H new ATOM 0 HD13 LEU A 77 -11.586 -4.826 3.536 1.00 0.88 H new ATOM 0 HD21 LEU A 77 -12.179 -4.861 6.558 1.00 1.15 H new ATOM 0 HD22 LEU A 77 -10.530 -4.777 5.895 1.00 1.15 H new ATOM 0 HD23 LEU A 77 -11.092 -3.536 7.040 1.00 1.15 H new ATOM 1171 N ASP A 78 -11.989 0.556 4.722 1.00 0.32 N ATOM 1172 CA ASP A 78 -12.987 1.447 5.325 1.00 0.39 C ATOM 1173 C ASP A 78 -13.402 2.566 4.361 1.00 0.41 C ATOM 1174 O ASP A 78 -14.541 3.011 4.348 1.00 0.50 O ATOM 1175 CB ASP A 78 -12.448 2.031 6.631 1.00 0.45 C ATOM 1176 CG ASP A 78 -13.473 2.833 7.404 1.00 0.57 C ATOM 1177 OD1 ASP A 78 -14.360 2.224 8.038 1.00 0.67 O ATOM 1178 OD2 ASP A 78 -13.369 4.070 7.442 1.00 0.64 O ATOM 0 H ASP A 78 -11.020 0.829 4.887 1.00 0.32 H new ATOM 0 HA ASP A 78 -13.878 0.858 5.541 1.00 0.39 H new ATOM 0 HB2 ASP A 78 -12.085 1.218 7.260 1.00 0.45 H new ATOM 0 HB3 ASP A 78 -11.592 2.669 6.408 1.00 0.45 H new ATOM 1183 N HIS A 79 -12.462 2.980 3.541 1.00 0.37 N ATOM 1184 CA HIS A 79 -12.621 4.095 2.598 1.00 0.43 C ATOM 1185 C HIS A 79 -13.062 3.646 1.208 1.00 0.51 C ATOM 1186 O HIS A 79 -13.084 4.465 0.281 1.00 0.91 O ATOM 1187 CB HIS A 79 -11.333 4.939 2.511 1.00 0.48 C ATOM 1188 CG HIS A 79 -11.097 5.849 3.689 1.00 0.83 C ATOM 1189 ND1 HIS A 79 -11.132 7.219 3.604 1.00 1.18 N ATOM 1190 CD2 HIS A 79 -10.771 5.573 4.976 1.00 1.15 C ATOM 1191 CE1 HIS A 79 -10.843 7.739 4.771 1.00 1.53 C ATOM 1192 NE2 HIS A 79 -10.619 6.764 5.619 1.00 1.52 N ATOM 0 H HIS A 79 -11.539 2.549 3.501 1.00 0.37 H new ATOM 0 HA HIS A 79 -13.423 4.716 2.997 1.00 0.43 H new ATOM 0 HB2 HIS A 79 -10.480 4.267 2.411 1.00 0.48 H new ATOM 0 HB3 HIS A 79 -11.371 5.543 1.604 1.00 0.48 H new ATOM 0 HD2 HIS A 79 -10.654 4.591 5.410 1.00 1.15 H new ATOM 0 HE1 HIS A 79 -10.797 8.794 4.997 1.00 1.53 H new ATOM 0 HE2 HIS A 79 -10.371 6.879 6.602 1.00 1.52 H new ATOM 1201 N GLN A 80 -13.345 2.346 1.067 1.00 0.41 N ATOM 1202 CA GLN A 80 -13.872 1.735 -0.176 1.00 0.55 C ATOM 1203 C GLN A 80 -14.941 2.618 -0.820 1.00 0.62 C ATOM 1204 O GLN A 80 -15.850 3.116 -0.135 1.00 0.89 O ATOM 1205 CB GLN A 80 -14.520 0.392 0.156 1.00 0.87 C ATOM 1206 CG GLN A 80 -13.591 -0.702 0.620 1.00 0.64 C ATOM 1207 CD GLN A 80 -12.622 -1.155 -0.428 1.00 0.49 C ATOM 1208 OE1 GLN A 80 -12.903 -1.116 -1.611 1.00 0.57 O ATOM 1209 NE2 GLN A 80 -11.481 -1.613 0.005 1.00 0.51 N ATOM 0 H GLN A 80 -13.215 1.671 1.821 1.00 0.41 H new ATOM 0 HA GLN A 80 -13.037 1.615 -0.866 1.00 0.55 H new ATOM 0 HB2 GLN A 80 -15.269 0.556 0.931 1.00 0.87 H new ATOM 0 HB3 GLN A 80 -15.049 0.039 -0.729 1.00 0.87 H new ATOM 0 HG2 GLN A 80 -13.035 -0.350 1.488 1.00 0.64 H new ATOM 0 HG3 GLN A 80 -14.184 -1.556 0.947 1.00 0.64 H new ATOM 0 HE21 GLN A 80 -11.284 -1.628 1.006 1.00 0.51 H new ATOM 0 HE22 GLN A 80 -10.785 -1.956 -0.657 1.00 0.51 H new ATOM 1218 N ALA A 81 -14.842 2.795 -2.105 1.00 0.68 N ATOM 1219 CA ALA A 81 -15.765 3.623 -2.828 1.00 0.96 C ATOM 1220 C ALA A 81 -16.953 2.790 -3.271 1.00 1.47 C ATOM 1221 O ALA A 81 -16.885 2.159 -4.345 1.00 1.72 O ATOM 1222 CB ALA A 81 -15.075 4.281 -4.015 1.00 1.11 C ATOM 1223 OXT ALA A 81 -17.964 2.734 -2.528 1.00 2.36 O ATOM 0 H ALA A 81 -14.118 2.369 -2.683 1.00 0.68 H new ATOM 0 HA ALA A 81 -16.124 4.419 -2.176 1.00 0.96 H new ATOM 0 HB1 ALA A 81 -15.790 4.905 -4.551 1.00 1.11 H new ATOM 0 HB2 ALA A 81 -14.250 4.898 -3.660 1.00 1.11 H new ATOM 0 HB3 ALA A 81 -14.691 3.512 -4.685 1.00 1.11 H new