USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 822 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 26 SER OG : rot -68:sc= 0.105 USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 34 MET CE :methyl -175:sc= -0.0484 (180deg=0) USER MOD Set 2.2: A 37 GLN : amide:sc= -0.0426 X(o=-0.091,f=0) USER MOD Single : A 1 GLY N :NH3+ -174:sc= -0.0528 (180deg=-0.0983) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -63:sc= 0.789 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 90:sc= -0.0553 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= -0.0137 (180deg=-0.198) USER MOD Single : A 24 THR OG1 : rot 118:sc= 0.853 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 160:sc= -0.617 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 12:sc= 0.727 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.189 K(o=-0.19,f=-0.95) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.225 K(o=0.23,f=-5.3!) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.657 F(o=-1.6,f=-0.66) USER MOD Single : A 80 MET CE :methyl -117:sc= -2.71! (180deg=-3) USER MOD Single : A 82 GLN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0775 F(o=-3.1!,f=-0.077) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.291 F(o=-2.6!,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.094 -15.203 7.821 1.00 7.92 N ATOM 2 CA GLY A 1 -9.179 -16.069 8.357 1.00 7.68 C ATOM 3 C GLY A 1 -9.179 -16.128 9.872 1.00 6.86 C ATOM 4 O GLY A 1 -10.162 -16.549 10.484 1.00 7.03 O ATOM 0 H1 GLY A 1 -8.198 -15.114 6.790 1.00 7.92 H new ATOM 0 H2 GLY A 1 -8.154 -14.261 8.258 1.00 7.92 H new ATOM 0 H3 GLY A 1 -7.170 -15.628 8.040 1.00 7.92 H new ATOM 0 HA2 GLY A 1 -10.143 -15.695 8.011 1.00 7.68 H new ATOM 0 HA3 GLY A 1 -9.066 -17.077 7.957 1.00 7.68 H new ATOM 10 N SER A 2 -8.075 -15.704 10.479 1.00 6.24 N ATOM 11 CA SER A 2 -7.950 -15.711 11.933 1.00 5.73 C ATOM 12 C SER A 2 -8.371 -14.369 12.523 1.00 4.62 C ATOM 13 O SER A 2 -8.908 -14.307 13.629 1.00 4.63 O ATOM 14 CB SER A 2 -6.511 -16.031 12.338 1.00 6.38 C ATOM 15 OG SER A 2 -6.117 -17.305 11.858 1.00 7.18 O ATOM 0 H SER A 2 -7.254 -15.351 9.987 1.00 6.24 H new ATOM 0 HA SER A 2 -8.612 -16.482 12.327 1.00 5.73 H new ATOM 0 HB2 SER A 2 -5.841 -15.267 11.944 1.00 6.38 H new ATOM 0 HB3 SER A 2 -6.421 -16.004 13.424 1.00 6.38 H new ATOM 0 HG SER A 2 -5.193 -17.485 12.129 1.00 7.18 H new ATOM 21 N HIS A 3 -8.123 -13.296 11.777 1.00 4.05 N ATOM 22 CA HIS A 3 -8.473 -11.954 12.226 1.00 3.23 C ATOM 23 C HIS A 3 -9.891 -11.589 11.796 1.00 2.51 C ATOM 24 O HIS A 3 -10.441 -10.577 12.231 1.00 2.56 O ATOM 25 CB HIS A 3 -7.480 -10.931 11.671 1.00 3.35 C ATOM 26 CG HIS A 3 -6.060 -11.205 12.060 1.00 4.25 C ATOM 27 ND1 HIS A 3 -5.446 -10.607 13.140 1.00 4.88 N ATOM 28 CD2 HIS A 3 -5.131 -12.020 11.505 1.00 5.02 C ATOM 29 CE1 HIS A 3 -4.201 -11.040 13.232 1.00 5.81 C ATOM 30 NE2 HIS A 3 -3.985 -11.899 12.253 1.00 5.91 N ATOM 0 H HIS A 3 -7.681 -13.331 10.859 1.00 4.05 H new ATOM 0 HA HIS A 3 -8.427 -11.939 13.315 1.00 3.23 H new ATOM 0 HB2 HIS A 3 -7.554 -10.917 10.584 1.00 3.35 H new ATOM 0 HB3 HIS A 3 -7.759 -9.938 12.022 1.00 3.35 H new ATOM 0 HD2 HIS A 3 -5.266 -12.648 10.637 1.00 5.02 H new ATOM 0 HE1 HIS A 3 -3.482 -10.742 13.981 1.00 5.81 H new ATOM 0 HE2 HIS A 3 -3.109 -12.393 12.080 1.00 5.91 H new ATOM 39 N GLY A 4 -10.474 -12.420 10.938 1.00 2.45 N ATOM 40 CA GLY A 4 -11.821 -12.172 10.461 1.00 2.34 C ATOM 41 C GLY A 4 -11.841 -11.445 9.130 1.00 2.00 C ATOM 42 O GLY A 4 -10.872 -11.495 8.374 1.00 2.37 O ATOM 0 H GLY A 4 -10.036 -13.262 10.564 1.00 2.45 H new ATOM 0 HA2 GLY A 4 -12.348 -13.121 10.361 1.00 2.34 H new ATOM 0 HA3 GLY A 4 -12.362 -11.583 11.201 1.00 2.34 H new ATOM 46 N TYR A 5 -12.951 -10.767 8.847 1.00 1.70 N ATOM 47 CA TYR A 5 -13.104 -10.024 7.600 1.00 1.43 C ATOM 48 C TYR A 5 -12.866 -10.927 6.391 1.00 1.39 C ATOM 49 O TYR A 5 -11.836 -10.829 5.724 1.00 1.60 O ATOM 50 CB TYR A 5 -12.139 -8.837 7.564 1.00 1.42 C ATOM 51 CG TYR A 5 -12.412 -7.796 8.626 1.00 1.57 C ATOM 52 CD1 TYR A 5 -11.858 -7.907 9.895 1.00 1.84 C ATOM 53 CD2 TYR A 5 -13.221 -6.699 8.357 1.00 1.63 C ATOM 54 CE1 TYR A 5 -12.104 -6.956 10.866 1.00 2.07 C ATOM 55 CE2 TYR A 5 -13.470 -5.742 9.322 1.00 1.86 C ATOM 56 CZ TYR A 5 -12.909 -5.876 10.575 1.00 2.04 C ATOM 57 OH TYR A 5 -13.155 -4.924 11.540 1.00 2.33 O ATOM 0 H TYR A 5 -13.759 -10.717 9.467 1.00 1.70 H new ATOM 0 HA TYR A 5 -14.127 -9.651 7.555 1.00 1.43 H new ATOM 0 HB2 TYR A 5 -11.120 -9.205 7.683 1.00 1.42 H new ATOM 0 HB3 TYR A 5 -12.195 -8.365 6.583 1.00 1.42 H new ATOM 0 HD1 TYR A 5 -11.225 -8.751 10.126 1.00 1.84 H new ATOM 0 HD2 TYR A 5 -13.663 -6.593 7.377 1.00 1.63 H new ATOM 0 HE1 TYR A 5 -11.668 -7.058 11.849 1.00 2.07 H new ATOM 0 HE2 TYR A 5 -14.100 -4.894 9.097 1.00 1.86 H new ATOM 0 HH TYR A 5 -13.740 -4.229 11.172 1.00 2.33 H new ATOM 67 N SER A 6 -13.825 -11.805 6.117 1.00 1.46 N ATOM 68 CA SER A 6 -13.722 -12.722 4.989 1.00 1.51 C ATOM 69 C SER A 6 -14.533 -12.214 3.803 1.00 1.40 C ATOM 70 O SER A 6 -15.765 -12.238 3.830 1.00 1.78 O ATOM 71 CB SER A 6 -14.204 -14.118 5.392 1.00 1.86 C ATOM 72 OG SER A 6 -14.110 -15.023 4.306 1.00 2.59 O ATOM 0 H SER A 6 -14.682 -11.901 6.661 1.00 1.46 H new ATOM 0 HA SER A 6 -12.674 -12.780 4.693 1.00 1.51 H new ATOM 0 HB2 SER A 6 -13.608 -14.485 6.228 1.00 1.86 H new ATOM 0 HB3 SER A 6 -15.237 -14.064 5.736 1.00 1.86 H new ATOM 0 HG SER A 6 -14.700 -14.727 3.582 1.00 2.59 H new ATOM 78 N ASP A 7 -13.831 -11.756 2.764 1.00 1.22 N ATOM 79 CA ASP A 7 -14.472 -11.234 1.555 1.00 1.25 C ATOM 80 C ASP A 7 -15.688 -10.375 1.898 1.00 1.28 C ATOM 81 O ASP A 7 -16.768 -10.553 1.337 1.00 1.58 O ATOM 82 CB ASP A 7 -14.873 -12.382 0.622 1.00 1.48 C ATOM 83 CG ASP A 7 -15.846 -13.353 1.263 1.00 1.96 C ATOM 84 OD1 ASP A 7 -15.385 -14.313 1.915 1.00 2.67 O ATOM 85 OD2 ASP A 7 -17.070 -13.153 1.114 1.00 2.10 O ATOM 0 H ASP A 7 -12.812 -11.736 2.736 1.00 1.22 H new ATOM 0 HA ASP A 7 -13.749 -10.601 1.041 1.00 1.25 H new ATOM 0 HB2 ASP A 7 -15.322 -11.969 -0.281 1.00 1.48 H new ATOM 0 HB3 ASP A 7 -13.978 -12.923 0.314 1.00 1.48 H new ATOM 90 N ALA A 8 -15.497 -9.436 2.821 1.00 1.14 N ATOM 91 CA ALA A 8 -16.571 -8.550 3.248 1.00 1.29 C ATOM 92 C ALA A 8 -16.852 -7.478 2.202 1.00 1.46 C ATOM 93 O ALA A 8 -16.119 -6.494 2.095 1.00 1.58 O ATOM 94 CB ALA A 8 -16.222 -7.909 4.583 1.00 1.28 C ATOM 0 H ALA A 8 -14.605 -9.271 3.287 1.00 1.14 H new ATOM 0 HA ALA A 8 -17.475 -9.147 3.366 1.00 1.29 H new ATOM 0 HB1 ALA A 8 -17.032 -7.249 4.892 1.00 1.28 H new ATOM 0 HB2 ALA A 8 -16.081 -8.686 5.334 1.00 1.28 H new ATOM 0 HB3 ALA A 8 -15.303 -7.332 4.480 1.00 1.28 H new ATOM 100 N SER A 9 -17.919 -7.677 1.430 1.00 1.63 N ATOM 101 CA SER A 9 -18.307 -6.729 0.391 1.00 1.85 C ATOM 102 C SER A 9 -17.170 -6.506 -0.601 1.00 1.76 C ATOM 103 O SER A 9 -17.076 -5.450 -1.227 1.00 1.89 O ATOM 104 CB SER A 9 -18.720 -5.396 1.018 1.00 2.01 C ATOM 105 OG SER A 9 -19.869 -5.549 1.833 1.00 2.55 O ATOM 0 H SER A 9 -18.531 -8.489 1.506 1.00 1.63 H new ATOM 0 HA SER A 9 -19.155 -7.150 -0.149 1.00 1.85 H new ATOM 0 HB2 SER A 9 -17.898 -5.001 1.614 1.00 2.01 H new ATOM 0 HB3 SER A 9 -18.922 -4.668 0.232 1.00 2.01 H new ATOM 0 HG SER A 9 -20.111 -4.683 2.223 1.00 2.55 H new ATOM 111 N GLY A 10 -16.311 -7.509 -0.740 1.00 1.58 N ATOM 112 CA GLY A 10 -15.191 -7.404 -1.655 1.00 1.55 C ATOM 113 C GLY A 10 -14.009 -6.680 -1.040 1.00 1.38 C ATOM 114 O GLY A 10 -13.304 -5.939 -1.725 1.00 1.82 O ATOM 0 H GLY A 10 -16.370 -8.393 -0.235 1.00 1.58 H new ATOM 0 HA2 GLY A 10 -14.882 -8.403 -1.963 1.00 1.55 H new ATOM 0 HA3 GLY A 10 -15.508 -6.877 -2.555 1.00 1.55 H new ATOM 118 N PHE A 11 -13.796 -6.892 0.255 1.00 1.08 N ATOM 119 CA PHE A 11 -12.691 -6.256 0.965 1.00 0.90 C ATOM 120 C PHE A 11 -12.027 -7.232 1.928 1.00 0.71 C ATOM 121 O PHE A 11 -12.689 -7.848 2.761 1.00 0.83 O ATOM 122 CB PHE A 11 -13.186 -5.026 1.732 1.00 1.02 C ATOM 123 CG PHE A 11 -13.641 -3.903 0.846 1.00 1.18 C ATOM 124 CD1 PHE A 11 -14.955 -3.834 0.409 1.00 1.52 C ATOM 125 CD2 PHE A 11 -12.755 -2.914 0.449 1.00 1.05 C ATOM 126 CE1 PHE A 11 -15.376 -2.801 -0.406 1.00 1.70 C ATOM 127 CE2 PHE A 11 -13.170 -1.878 -0.367 1.00 1.24 C ATOM 128 CZ PHE A 11 -14.482 -1.822 -0.794 1.00 1.55 C ATOM 0 H PHE A 11 -14.375 -7.500 0.835 1.00 1.08 H new ATOM 0 HA PHE A 11 -11.954 -5.943 0.226 1.00 0.90 H new ATOM 0 HB2 PHE A 11 -14.010 -5.321 2.381 1.00 1.02 H new ATOM 0 HB3 PHE A 11 -12.385 -4.665 2.378 1.00 1.02 H new ATOM 0 HD1 PHE A 11 -15.658 -4.597 0.709 1.00 1.52 H new ATOM 0 HD2 PHE A 11 -11.728 -2.953 0.781 1.00 1.05 H new ATOM 0 HE1 PHE A 11 -16.402 -2.759 -0.739 1.00 1.70 H new ATOM 0 HE2 PHE A 11 -12.469 -1.114 -0.670 1.00 1.24 H new ATOM 0 HZ PHE A 11 -14.809 -1.013 -1.431 1.00 1.55 H new ATOM 138 N SER A 12 -10.710 -7.365 1.805 1.00 0.55 N ATOM 139 CA SER A 12 -9.948 -8.261 2.664 1.00 0.45 C ATOM 140 C SER A 12 -8.549 -7.709 2.911 1.00 0.39 C ATOM 141 O SER A 12 -7.925 -7.144 2.012 1.00 0.38 O ATOM 142 CB SER A 12 -9.861 -9.652 2.036 1.00 0.51 C ATOM 143 OG SER A 12 -9.034 -10.508 2.806 1.00 0.90 O ATOM 0 H SER A 12 -10.149 -6.862 1.117 1.00 0.55 H new ATOM 0 HA SER A 12 -10.464 -8.338 3.621 1.00 0.45 H new ATOM 0 HB2 SER A 12 -10.860 -10.081 1.956 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.466 -9.573 1.023 1.00 0.51 H new ATOM 0 HG SER A 12 -8.996 -11.392 2.384 1.00 0.90 H new ATOM 149 N LEU A 13 -8.062 -7.875 4.137 1.00 0.41 N ATOM 150 CA LEU A 13 -6.739 -7.387 4.508 1.00 0.40 C ATOM 151 C LEU A 13 -5.647 -8.351 4.055 1.00 0.45 C ATOM 152 O LEU A 13 -5.613 -9.509 4.473 1.00 0.68 O ATOM 153 CB LEU A 13 -6.657 -7.180 6.021 1.00 0.56 C ATOM 154 CG LEU A 13 -7.709 -6.237 6.605 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.673 -6.273 8.125 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.486 -4.820 6.100 1.00 0.79 C ATOM 0 H LEU A 13 -8.565 -8.344 4.891 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.581 -6.433 4.005 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.749 -8.150 6.510 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.668 -6.792 6.266 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.694 -6.571 6.278 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.429 -5.596 8.523 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -7.877 -7.287 8.470 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.688 -5.962 8.473 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.242 -4.159 6.524 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.496 -4.478 6.401 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.560 -4.805 5.013 1.00 0.79 H new ATOM 168 N TYR A 14 -4.757 -7.862 3.197 1.00 0.36 N ATOM 169 CA TYR A 14 -3.656 -8.671 2.686 1.00 0.50 C ATOM 170 C TYR A 14 -2.313 -8.066 3.089 1.00 0.31 C ATOM 171 O TYR A 14 -2.197 -6.854 3.274 1.00 0.37 O ATOM 172 CB TYR A 14 -3.744 -8.787 1.164 1.00 0.80 C ATOM 173 CG TYR A 14 -4.867 -9.682 0.682 1.00 0.68 C ATOM 174 CD1 TYR A 14 -4.684 -11.055 0.578 1.00 1.20 C ATOM 175 CD2 TYR A 14 -6.105 -9.156 0.328 1.00 0.71 C ATOM 176 CE1 TYR A 14 -5.701 -11.880 0.135 1.00 1.90 C ATOM 177 CE2 TYR A 14 -7.125 -9.975 -0.118 1.00 1.34 C ATOM 178 CZ TYR A 14 -6.919 -11.334 -0.212 1.00 1.98 C ATOM 179 OH TYR A 14 -7.933 -12.152 -0.657 1.00 2.73 O ATOM 0 H TYR A 14 -4.777 -6.907 2.840 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.732 -9.668 3.120 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -3.878 -7.792 0.740 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -2.798 -9.171 0.783 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -3.731 -11.485 0.848 1.00 1.20 H new ATOM 0 HD2 TYR A 14 -6.272 -8.092 0.403 1.00 0.71 H new ATOM 0 HE1 TYR A 14 -5.543 -12.946 0.061 1.00 1.90 H new ATOM 0 HE2 TYR A 14 -8.080 -9.551 -0.392 1.00 1.34 H new ATOM 0 HH TYR A 14 -8.469 -12.454 0.106 1.00 2.73 H new ATOM 189 N SER A 15 -1.298 -8.915 3.225 1.00 0.43 N ATOM 190 CA SER A 15 0.031 -8.454 3.612 1.00 0.38 C ATOM 191 C SER A 15 1.122 -9.207 2.856 1.00 0.33 C ATOM 192 O SER A 15 0.982 -10.393 2.561 1.00 0.41 O ATOM 193 CB SER A 15 0.233 -8.622 5.118 1.00 0.59 C ATOM 194 OG SER A 15 0.083 -9.977 5.505 1.00 1.19 O ATOM 0 H SER A 15 -1.370 -9.921 3.074 1.00 0.43 H new ATOM 0 HA SER A 15 0.104 -7.398 3.354 1.00 0.38 H new ATOM 0 HB2 SER A 15 1.226 -8.269 5.396 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.487 -8.005 5.656 1.00 0.59 H new ATOM 0 HG SER A 15 0.219 -10.058 6.472 1.00 1.19 H new ATOM 200 N VAL A 16 2.210 -8.505 2.549 1.00 0.32 N ATOM 201 CA VAL A 16 3.334 -9.097 1.832 1.00 0.33 C ATOM 202 C VAL A 16 4.659 -8.699 2.478 1.00 0.31 C ATOM 203 O VAL A 16 4.838 -7.552 2.888 1.00 0.44 O ATOM 204 CB VAL A 16 3.348 -8.669 0.352 1.00 0.44 C ATOM 205 CG1 VAL A 16 4.478 -9.360 -0.398 1.00 0.53 C ATOM 206 CG2 VAL A 16 2.007 -8.962 -0.303 1.00 0.56 C ATOM 0 H VAL A 16 2.336 -7.521 2.787 1.00 0.32 H new ATOM 0 HA VAL A 16 3.212 -10.179 1.885 1.00 0.33 H new ATOM 0 HB VAL A 16 3.521 -7.594 0.309 1.00 0.44 H new ATOM 0 HG11 VAL A 16 4.469 -9.043 -1.441 1.00 0.53 H new ATOM 0 HG12 VAL A 16 5.433 -9.092 0.055 1.00 0.53 H new ATOM 0 HG13 VAL A 16 4.342 -10.440 -0.346 1.00 0.53 H new ATOM 0 HG21 VAL A 16 2.037 -8.653 -1.348 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.800 -10.031 -0.247 1.00 0.56 H new ATOM 0 HG23 VAL A 16 1.221 -8.413 0.216 1.00 0.56 H new ATOM 216 N GLU A 17 5.583 -9.652 2.564 1.00 0.33 N ATOM 217 CA GLU A 17 6.891 -9.397 3.160 1.00 0.34 C ATOM 218 C GLU A 17 7.944 -9.170 2.081 1.00 0.32 C ATOM 219 O GLU A 17 8.285 -10.086 1.333 1.00 0.38 O ATOM 220 CB GLU A 17 7.307 -10.569 4.051 1.00 0.45 C ATOM 221 CG GLU A 17 6.268 -10.939 5.098 1.00 0.71 C ATOM 222 CD GLU A 17 6.717 -12.087 5.983 1.00 1.18 C ATOM 223 OE1 GLU A 17 6.579 -13.253 5.557 1.00 1.42 O ATOM 224 OE2 GLU A 17 7.205 -11.819 7.100 1.00 1.74 O ATOM 0 H GLU A 17 5.451 -10.606 2.229 1.00 0.33 H new ATOM 0 HA GLU A 17 6.815 -8.495 3.768 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.504 -11.439 3.424 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.242 -10.319 4.552 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.056 -10.068 5.718 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.337 -11.211 4.601 1.00 0.71 H new ATOM 231 N LEU A 18 8.461 -7.946 2.008 1.00 0.31 N ATOM 232 CA LEU A 18 9.475 -7.604 1.017 1.00 0.34 C ATOM 233 C LEU A 18 10.728 -7.034 1.675 1.00 0.38 C ATOM 234 O LEU A 18 10.644 -6.272 2.637 1.00 0.68 O ATOM 235 CB LEU A 18 8.916 -6.599 0.010 1.00 0.40 C ATOM 236 CG LEU A 18 7.770 -7.118 -0.862 1.00 0.46 C ATOM 237 CD1 LEU A 18 7.464 -6.126 -1.965 1.00 0.81 C ATOM 238 CD2 LEU A 18 8.108 -8.479 -1.455 1.00 0.71 C ATOM 0 H LEU A 18 8.194 -7.177 2.622 1.00 0.31 H new ATOM 0 HA LEU A 18 9.751 -8.521 0.497 1.00 0.34 H new ATOM 0 HB2 LEU A 18 8.569 -5.720 0.553 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.727 -6.272 -0.641 1.00 0.40 H new ATOM 0 HG LEU A 18 6.887 -7.233 -0.233 1.00 0.46 H new ATOM 0 HD11 LEU A 18 6.647 -6.505 -2.579 1.00 0.81 H new ATOM 0 HD12 LEU A 18 7.175 -5.171 -1.526 1.00 0.81 H new ATOM 0 HD13 LEU A 18 8.350 -5.987 -2.585 1.00 0.81 H new ATOM 0 HD21 LEU A 18 7.277 -8.824 -2.070 1.00 0.71 H new ATOM 0 HD22 LEU A 18 9.004 -8.396 -2.070 1.00 0.71 H new ATOM 0 HD23 LEU A 18 8.285 -9.193 -0.650 1.00 0.71 H new ATOM 250 N PHE A 19 11.889 -7.410 1.145 1.00 0.41 N ATOM 251 CA PHE A 19 13.165 -6.935 1.669 1.00 0.43 C ATOM 252 C PHE A 19 13.923 -6.153 0.606 1.00 0.49 C ATOM 253 O PHE A 19 13.907 -6.519 -0.570 1.00 0.59 O ATOM 254 CB PHE A 19 14.012 -8.114 2.161 1.00 0.48 C ATOM 255 CG PHE A 19 14.239 -9.174 1.120 1.00 0.82 C ATOM 256 CD1 PHE A 19 13.345 -10.223 0.973 1.00 0.74 C ATOM 257 CD2 PHE A 19 15.343 -9.119 0.284 1.00 1.50 C ATOM 258 CE1 PHE A 19 13.549 -11.198 0.014 1.00 1.25 C ATOM 259 CE2 PHE A 19 15.552 -10.090 -0.677 1.00 2.08 C ATOM 260 CZ PHE A 19 14.662 -11.140 -0.801 1.00 1.94 C ATOM 0 H PHE A 19 11.972 -8.044 0.350 1.00 0.41 H new ATOM 0 HA PHE A 19 12.964 -6.272 2.510 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.977 -7.739 2.501 1.00 0.48 H new ATOM 0 HB3 PHE A 19 13.523 -8.565 3.025 1.00 0.48 H new ATOM 0 HD1 PHE A 19 12.479 -10.279 1.615 1.00 0.74 H new ATOM 0 HD2 PHE A 19 16.049 -8.308 0.385 1.00 1.50 H new ATOM 0 HE1 PHE A 19 12.839 -12.004 -0.097 1.00 1.25 H new ATOM 0 HE2 PHE A 19 16.410 -10.028 -1.330 1.00 2.08 H new ATOM 0 HZ PHE A 19 14.837 -11.914 -1.534 1.00 1.94 H new ATOM 270 N ARG A 20 14.585 -5.074 1.016 1.00 0.52 N ATOM 271 CA ARG A 20 15.341 -4.257 0.068 1.00 0.66 C ATOM 272 C ARG A 20 16.828 -4.229 0.413 1.00 0.68 C ATOM 273 O ARG A 20 17.319 -3.274 1.012 1.00 0.83 O ATOM 274 CB ARG A 20 14.785 -2.833 0.021 1.00 0.73 C ATOM 275 CG ARG A 20 15.387 -1.988 -1.092 1.00 0.99 C ATOM 276 CD ARG A 20 14.772 -0.599 -1.136 1.00 1.19 C ATOM 277 NE ARG A 20 15.005 0.141 0.099 1.00 1.60 N ATOM 278 CZ ARG A 20 15.405 1.409 0.134 1.00 2.26 C ATOM 279 NH1 ARG A 20 15.604 2.076 -0.995 1.00 2.52 N ATOM 280 NH2 ARG A 20 15.606 2.010 1.296 1.00 3.06 N ATOM 0 H ARG A 20 14.615 -4.748 1.982 1.00 0.52 H new ATOM 0 HA ARG A 20 15.232 -4.713 -0.916 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.704 -2.877 -0.110 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.971 -2.346 0.978 1.00 0.73 H new ATOM 0 HG2 ARG A 20 16.464 -1.905 -0.945 1.00 0.99 H new ATOM 0 HG3 ARG A 20 15.234 -2.485 -2.050 1.00 0.99 H new ATOM 0 HD2 ARG A 20 15.190 -0.044 -1.976 1.00 1.19 H new ATOM 0 HD3 ARG A 20 13.700 -0.683 -1.312 1.00 1.19 H new ATOM 0 HE ARG A 20 14.853 -0.341 0.985 1.00 1.60 H new ATOM 0 HH11 ARG A 20 15.450 1.617 -1.893 1.00 2.52 H new ATOM 0 HH12 ARG A 20 15.911 3.048 -0.966 1.00 2.52 H new ATOM 0 HH21 ARG A 20 15.454 1.501 2.167 1.00 3.06 H new ATOM 0 HH22 ARG A 20 15.913 2.982 1.321 1.00 3.06 H new ATOM 294 N GLU A 21 17.542 -5.278 0.020 1.00 0.82 N ATOM 295 CA GLU A 21 18.975 -5.371 0.284 1.00 0.93 C ATOM 296 C GLU A 21 19.779 -4.983 -0.952 1.00 1.16 C ATOM 297 O GLU A 21 20.995 -5.169 -0.999 1.00 1.57 O ATOM 298 CB GLU A 21 19.347 -6.789 0.719 1.00 1.09 C ATOM 299 CG GLU A 21 18.548 -7.288 1.910 1.00 1.62 C ATOM 300 CD GLU A 21 19.090 -8.587 2.470 1.00 2.00 C ATOM 301 OE1 GLU A 21 19.969 -8.530 3.356 1.00 2.58 O ATOM 302 OE2 GLU A 21 18.636 -9.663 2.025 1.00 2.21 O ATOM 0 H GLU A 21 17.153 -6.076 -0.482 1.00 0.82 H new ATOM 0 HA GLU A 21 19.215 -4.677 1.089 1.00 0.93 H new ATOM 0 HB2 GLU A 21 19.196 -7.469 -0.120 1.00 1.09 H new ATOM 0 HB3 GLU A 21 20.408 -6.818 0.966 1.00 1.09 H new ATOM 0 HG2 GLU A 21 18.555 -6.528 2.692 1.00 1.62 H new ATOM 0 HG3 GLU A 21 17.509 -7.430 1.612 1.00 1.62 H new ATOM 309 N LYS A 22 19.088 -4.442 -1.950 1.00 1.11 N ATOM 310 CA LYS A 22 19.732 -4.028 -3.190 1.00 1.40 C ATOM 311 C LYS A 22 19.775 -2.507 -3.297 1.00 1.31 C ATOM 312 O LYS A 22 18.967 -1.811 -2.684 1.00 1.38 O ATOM 313 CB LYS A 22 18.994 -4.615 -4.397 1.00 1.65 C ATOM 314 CG LYS A 22 19.057 -6.134 -4.480 1.00 2.00 C ATOM 315 CD LYS A 22 18.118 -6.793 -3.482 1.00 2.54 C ATOM 316 CE LYS A 22 18.136 -8.308 -3.617 1.00 3.05 C ATOM 317 NZ LYS A 22 19.495 -8.871 -3.384 1.00 3.72 N ATOM 0 H LYS A 22 18.081 -4.280 -1.924 1.00 1.11 H new ATOM 0 HA LYS A 22 20.755 -4.405 -3.182 1.00 1.40 H new ATOM 0 HB2 LYS A 22 17.949 -4.306 -4.357 1.00 1.65 H new ATOM 0 HB3 LYS A 22 19.416 -4.193 -5.309 1.00 1.65 H new ATOM 0 HG2 LYS A 22 18.798 -6.454 -5.489 1.00 2.00 H new ATOM 0 HG3 LYS A 22 20.078 -6.466 -4.293 1.00 2.00 H new ATOM 0 HD2 LYS A 22 18.407 -6.513 -2.469 1.00 2.54 H new ATOM 0 HD3 LYS A 22 17.104 -6.425 -3.637 1.00 2.54 H new ATOM 0 HE2 LYS A 22 17.436 -8.744 -2.905 1.00 3.05 H new ATOM 0 HE3 LYS A 22 17.793 -8.588 -4.613 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 19.432 -9.906 -3.300 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 20.114 -8.625 -4.183 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 19.889 -8.476 -2.506 1.00 3.72 H new ATOM 331 N ASP A 23 20.724 -1.999 -4.077 1.00 1.46 N ATOM 332 CA ASP A 23 20.871 -0.559 -4.260 1.00 1.51 C ATOM 333 C ASP A 23 19.967 -0.057 -5.383 1.00 1.31 C ATOM 334 O ASP A 23 20.436 0.268 -6.474 1.00 1.58 O ATOM 335 CB ASP A 23 22.328 -0.206 -4.565 1.00 1.91 C ATOM 336 CG ASP A 23 23.275 -0.660 -3.472 1.00 2.29 C ATOM 337 OD1 ASP A 23 23.455 0.093 -2.492 1.00 2.87 O ATOM 338 OD2 ASP A 23 23.835 -1.769 -3.595 1.00 2.58 O ATOM 0 H ASP A 23 21.402 -2.562 -4.592 1.00 1.46 H new ATOM 0 HA ASP A 23 20.574 -0.069 -3.333 1.00 1.51 H new ATOM 0 HB2 ASP A 23 22.620 -0.666 -5.509 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.418 0.873 -4.695 1.00 1.91 H new ATOM 343 N THR A 24 18.667 0.003 -5.106 1.00 1.02 N ATOM 344 CA THR A 24 17.697 0.465 -6.092 1.00 0.98 C ATOM 345 C THR A 24 17.062 1.784 -5.661 1.00 1.01 C ATOM 346 O THR A 24 16.553 2.539 -6.488 1.00 1.16 O ATOM 347 CB THR A 24 16.584 -0.575 -6.319 1.00 1.17 C ATOM 348 OG1 THR A 24 15.806 -0.728 -5.125 1.00 1.38 O ATOM 349 CG2 THR A 24 17.174 -1.919 -6.719 1.00 1.19 C ATOM 0 H THR A 24 18.262 -0.262 -4.208 1.00 1.02 H new ATOM 0 HA THR A 24 18.242 0.612 -7.025 1.00 0.98 H new ATOM 0 HB THR A 24 15.944 -0.220 -7.127 1.00 1.17 H new ATOM 0 HG1 THR A 24 14.877 -0.472 -5.305 1.00 1.38 H new ATOM 0 HG21 THR A 24 16.369 -2.638 -6.874 1.00 1.19 H new ATOM 0 HG22 THR A 24 17.743 -1.806 -7.642 1.00 1.19 H new ATOM 0 HG23 THR A 24 17.833 -2.277 -5.928 1.00 1.19 H new ATOM 357 N SER A 25 17.099 2.047 -4.356 1.00 1.05 N ATOM 358 CA SER A 25 16.535 3.272 -3.794 1.00 1.35 C ATOM 359 C SER A 25 15.045 3.386 -4.104 1.00 1.17 C ATOM 360 O SER A 25 14.472 4.473 -4.043 1.00 1.39 O ATOM 361 CB SER A 25 17.275 4.498 -4.333 1.00 1.79 C ATOM 362 OG SER A 25 18.652 4.449 -4.001 1.00 2.45 O ATOM 0 H SER A 25 17.516 1.424 -3.665 1.00 1.05 H new ATOM 0 HA SER A 25 16.658 3.229 -2.712 1.00 1.35 H new ATOM 0 HB2 SER A 25 17.160 4.549 -5.416 1.00 1.79 H new ATOM 0 HB3 SER A 25 16.831 5.405 -3.922 1.00 1.79 H new ATOM 0 HG SER A 25 19.103 5.242 -4.358 1.00 2.45 H new ATOM 368 N SER A 26 14.423 2.257 -4.431 1.00 0.84 N ATOM 369 CA SER A 26 13.001 2.235 -4.752 1.00 0.72 C ATOM 370 C SER A 26 12.419 0.834 -4.581 1.00 0.58 C ATOM 371 O SER A 26 13.038 -0.158 -4.967 1.00 0.69 O ATOM 372 CB SER A 26 12.777 2.719 -6.186 1.00 0.81 C ATOM 373 OG SER A 26 13.480 1.909 -7.113 1.00 1.40 O ATOM 0 H SER A 26 14.881 1.347 -4.480 1.00 0.84 H new ATOM 0 HA SER A 26 12.489 2.905 -4.061 1.00 0.72 H new ATOM 0 HB2 SER A 26 11.712 2.701 -6.417 1.00 0.81 H new ATOM 0 HB3 SER A 26 13.106 3.754 -6.280 1.00 0.81 H new ATOM 0 HG SER A 26 14.444 2.039 -6.995 1.00 1.40 H new ATOM 379 N LEU A 27 11.224 0.765 -3.999 1.00 0.42 N ATOM 380 CA LEU A 27 10.550 -0.511 -3.783 1.00 0.32 C ATOM 381 C LEU A 27 9.539 -0.781 -4.893 1.00 0.29 C ATOM 382 O LEU A 27 9.007 -1.885 -5.007 1.00 0.41 O ATOM 383 CB LEU A 27 9.849 -0.521 -2.422 1.00 0.35 C ATOM 384 CG LEU A 27 10.780 -0.593 -1.210 1.00 0.38 C ATOM 385 CD1 LEU A 27 10.017 -0.286 0.068 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.431 -1.966 -1.118 1.00 0.43 C ATOM 0 H LEU A 27 10.703 1.578 -3.669 1.00 0.42 H new ATOM 0 HA LEU A 27 11.302 -1.300 -3.798 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.239 0.379 -2.339 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.168 -1.372 -2.388 1.00 0.35 H new ATOM 0 HG LEU A 27 11.563 0.155 -1.335 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.696 -0.342 0.919 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.593 0.716 0.007 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.214 -1.012 0.196 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.090 -1.999 -0.250 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.659 -2.729 -1.017 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.011 -2.155 -2.021 1.00 0.43 H new ATOM 398 N GLY A 28 9.281 0.239 -5.707 1.00 0.29 N ATOM 399 CA GLY A 28 8.340 0.095 -6.804 1.00 0.31 C ATOM 400 C GLY A 28 6.927 0.492 -6.423 1.00 0.29 C ATOM 401 O GLY A 28 5.976 0.180 -7.138 1.00 0.52 O ATOM 0 H GLY A 28 9.707 1.162 -5.626 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.671 0.707 -7.643 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.342 -0.940 -7.145 1.00 0.31 H new ATOM 405 N ILE A 29 6.790 1.184 -5.297 1.00 0.35 N ATOM 406 CA ILE A 29 5.481 1.621 -4.823 1.00 0.32 C ATOM 407 C ILE A 29 5.218 3.077 -5.195 1.00 0.30 C ATOM 408 O ILE A 29 5.848 3.988 -4.658 1.00 0.35 O ATOM 409 CB ILE A 29 5.359 1.460 -3.295 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.640 0.011 -2.890 1.00 0.46 C ATOM 411 CG2 ILE A 29 3.975 1.891 -2.824 1.00 0.36 C ATOM 412 CD1 ILE A 29 5.701 -0.201 -1.392 1.00 0.84 C ATOM 0 H ILE A 29 7.568 1.454 -4.696 1.00 0.35 H new ATOM 0 HA ILE A 29 4.739 0.988 -5.309 1.00 0.32 H new ATOM 0 HB ILE A 29 6.099 2.101 -2.816 1.00 0.37 H new ATOM 0 HG12 ILE A 29 4.864 -0.631 -3.308 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.586 -0.304 -3.331 1.00 0.46 H new ATOM 0 HG21 ILE A 29 3.905 1.771 -1.743 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.811 2.937 -3.085 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.218 1.274 -3.307 1.00 0.36 H new ATOM 0 HD11 ILE A 29 5.903 -1.251 -1.181 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.496 0.414 -0.970 1.00 0.84 H new ATOM 0 HD13 ILE A 29 4.748 0.081 -0.945 1.00 0.84 H new ATOM 424 N SER A 30 4.281 3.290 -6.118 1.00 0.27 N ATOM 425 CA SER A 30 3.934 4.638 -6.558 1.00 0.29 C ATOM 426 C SER A 30 2.531 5.017 -6.092 1.00 0.28 C ATOM 427 O SER A 30 1.534 4.603 -6.685 1.00 0.35 O ATOM 428 CB SER A 30 4.024 4.740 -8.083 1.00 0.33 C ATOM 429 OG SER A 30 3.762 6.062 -8.523 1.00 0.95 O ATOM 0 H SER A 30 3.750 2.548 -6.574 1.00 0.27 H new ATOM 0 HA SER A 30 4.646 5.333 -6.113 1.00 0.29 H new ATOM 0 HB2 SER A 30 5.017 4.434 -8.413 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.311 4.054 -8.539 1.00 0.33 H new ATOM 0 HG SER A 30 3.827 6.101 -9.500 1.00 0.95 H new ATOM 435 N ILE A 31 2.465 5.806 -5.024 1.00 0.25 N ATOM 436 CA ILE A 31 1.189 6.243 -4.467 1.00 0.27 C ATOM 437 C ILE A 31 0.754 7.582 -5.054 1.00 0.31 C ATOM 438 O ILE A 31 1.544 8.279 -5.690 1.00 0.41 O ATOM 439 CB ILE A 31 1.264 6.369 -2.934 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.386 7.335 -2.537 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.480 5.002 -2.302 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.439 7.634 -1.054 1.00 0.39 C ATOM 0 H ILE A 31 3.283 6.157 -4.526 1.00 0.25 H new ATOM 0 HA ILE A 31 0.454 5.482 -4.731 1.00 0.27 H new ATOM 0 HB ILE A 31 0.319 6.770 -2.566 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.342 6.914 -2.848 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.257 8.270 -3.082 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.531 5.106 -1.218 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.651 4.345 -2.565 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.413 4.574 -2.670 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.258 8.324 -0.851 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.498 8.085 -0.740 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.599 6.708 -0.502 1.00 0.39 H new ATOM 454 N SER A 32 -0.508 7.936 -4.828 1.00 0.37 N ATOM 455 CA SER A 32 -1.056 9.193 -5.331 1.00 0.44 C ATOM 456 C SER A 32 -1.805 9.937 -4.229 1.00 0.55 C ATOM 457 O SER A 32 -2.586 9.342 -3.485 1.00 0.59 O ATOM 458 CB SER A 32 -1.994 8.926 -6.510 1.00 0.48 C ATOM 459 OG SER A 32 -2.557 10.131 -6.997 1.00 1.32 O ATOM 0 H SER A 32 -1.171 7.370 -4.299 1.00 0.37 H new ATOM 0 HA SER A 32 -0.227 9.816 -5.668 1.00 0.44 H new ATOM 0 HB2 SER A 32 -1.445 8.428 -7.310 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.790 8.249 -6.200 1.00 0.48 H new ATOM 0 HG SER A 32 -3.151 9.933 -7.751 1.00 1.32 H new ATOM 465 N GLY A 33 -1.561 11.242 -4.130 1.00 0.70 N ATOM 466 CA GLY A 33 -2.219 12.048 -3.116 1.00 0.87 C ATOM 467 C GLY A 33 -3.730 12.017 -3.236 1.00 0.88 C ATOM 468 O GLY A 33 -4.279 12.269 -4.309 1.00 0.95 O ATOM 0 H GLY A 33 -0.919 11.755 -4.734 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -1.929 11.690 -2.128 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -1.873 13.079 -3.195 1.00 0.87 H new ATOM 472 N MET A 34 -4.406 11.708 -2.133 1.00 1.12 N ATOM 473 CA MET A 34 -5.863 11.645 -2.121 1.00 1.25 C ATOM 474 C MET A 34 -6.464 13.017 -1.832 1.00 1.38 C ATOM 475 O MET A 34 -6.485 13.468 -0.686 1.00 1.63 O ATOM 476 CB MET A 34 -6.344 10.632 -1.077 1.00 1.56 C ATOM 477 CG MET A 34 -7.854 10.451 -1.050 1.00 1.77 C ATOM 478 SD MET A 34 -8.385 9.210 0.146 1.00 2.04 S ATOM 479 CE MET A 34 -10.153 9.196 -0.139 1.00 1.98 C ATOM 0 H MET A 34 -3.968 11.497 -1.236 1.00 1.12 H new ATOM 0 HA MET A 34 -6.196 11.323 -3.108 1.00 1.25 H new ATOM 0 HB2 MET A 34 -5.875 9.668 -1.276 1.00 1.56 H new ATOM 0 HB3 MET A 34 -6.008 10.953 -0.091 1.00 1.56 H new ATOM 0 HG2 MET A 34 -8.326 11.404 -0.812 1.00 1.77 H new ATOM 0 HG3 MET A 34 -8.199 10.164 -2.043 1.00 1.77 H new ATOM 0 HE1 MET A 34 -10.634 8.541 0.588 1.00 1.98 H new ATOM 0 HE2 MET A 34 -10.547 10.207 -0.033 1.00 1.98 H new ATOM 0 HE3 MET A 34 -10.356 8.831 -1.146 1.00 1.98 H new ATOM 489 N ARG A 35 -6.952 13.675 -2.879 1.00 1.52 N ATOM 490 CA ARG A 35 -7.555 14.997 -2.743 1.00 1.79 C ATOM 491 C ARG A 35 -9.073 14.922 -2.874 1.00 2.00 C ATOM 492 O ARG A 35 -9.700 15.788 -3.486 1.00 2.40 O ATOM 493 CB ARG A 35 -6.976 15.958 -3.788 1.00 2.21 C ATOM 494 CG ARG A 35 -6.644 15.299 -5.121 1.00 2.56 C ATOM 495 CD ARG A 35 -7.895 14.853 -5.862 1.00 2.88 C ATOM 496 NE ARG A 35 -7.575 14.216 -7.137 1.00 3.69 N ATOM 497 CZ ARG A 35 -8.490 13.860 -8.035 1.00 4.52 C ATOM 498 NH1 ARG A 35 -9.777 14.078 -7.802 1.00 4.68 N ATOM 499 NH2 ARG A 35 -8.115 13.285 -9.171 1.00 5.46 N ATOM 0 H ARG A 35 -6.942 13.314 -3.833 1.00 1.52 H new ATOM 0 HA ARG A 35 -7.319 15.376 -1.749 1.00 1.79 H new ATOM 0 HB2 ARG A 35 -7.690 16.763 -3.961 1.00 2.21 H new ATOM 0 HB3 ARG A 35 -6.072 16.414 -3.385 1.00 2.21 H new ATOM 0 HG2 ARG A 35 -6.085 15.999 -5.742 1.00 2.56 H new ATOM 0 HG3 ARG A 35 -5.998 14.438 -4.949 1.00 2.56 H new ATOM 0 HD2 ARG A 35 -8.457 14.157 -5.239 1.00 2.88 H new ATOM 0 HD3 ARG A 35 -8.539 15.714 -6.038 1.00 2.88 H new ATOM 0 HE ARG A 35 -6.594 14.034 -7.351 1.00 3.69 H new ATOM 0 HH11 ARG A 35 -10.070 14.521 -6.931 1.00 4.68 H new ATOM 0 HH12 ARG A 35 -10.474 13.803 -8.494 1.00 4.68 H new ATOM 0 HH21 ARG A 35 -7.126 13.116 -9.355 1.00 5.46 H new ATOM 0 HH22 ARG A 35 -8.816 13.012 -9.860 1.00 5.46 H new ATOM 513 N ASP A 36 -9.660 13.880 -2.292 1.00 2.20 N ATOM 514 CA ASP A 36 -11.104 13.686 -2.342 1.00 2.60 C ATOM 515 C ASP A 36 -11.714 13.785 -0.947 1.00 2.84 C ATOM 516 O ASP A 36 -11.024 13.607 0.057 1.00 3.13 O ATOM 517 CB ASP A 36 -11.434 12.326 -2.959 1.00 3.10 C ATOM 518 CG ASP A 36 -10.847 12.162 -4.348 1.00 3.69 C ATOM 519 OD1 ASP A 36 -11.487 12.613 -5.321 1.00 4.03 O ATOM 520 OD2 ASP A 36 -9.746 11.583 -4.461 1.00 4.29 O ATOM 0 H ASP A 36 -9.156 13.156 -1.780 1.00 2.20 H new ATOM 0 HA ASP A 36 -11.531 14.473 -2.963 1.00 2.60 H new ATOM 0 HB2 ASP A 36 -11.055 11.535 -2.312 1.00 3.10 H new ATOM 0 HB3 ASP A 36 -12.516 12.206 -3.009 1.00 3.10 H new ATOM 525 N GLN A 37 -13.013 14.069 -0.896 1.00 3.14 N ATOM 526 CA GLN A 37 -13.726 14.193 0.371 1.00 3.57 C ATOM 527 C GLN A 37 -13.090 15.263 1.254 1.00 3.76 C ATOM 528 O GLN A 37 -12.212 14.969 2.067 1.00 4.28 O ATOM 529 CB GLN A 37 -13.746 12.850 1.106 1.00 4.06 C ATOM 530 CG GLN A 37 -14.428 11.739 0.323 1.00 4.18 C ATOM 531 CD GLN A 37 -14.452 10.424 1.076 1.00 4.68 C ATOM 532 OE1 GLN A 37 -15.390 10.136 1.819 1.00 4.94 O ATOM 533 NE2 GLN A 37 -13.414 9.616 0.886 1.00 5.25 N ATOM 0 H GLN A 37 -13.594 14.218 -1.721 1.00 3.14 H new ATOM 0 HA GLN A 37 -14.751 14.493 0.152 1.00 3.57 H new ATOM 0 HB2 GLN A 37 -12.721 12.551 1.328 1.00 4.06 H new ATOM 0 HB3 GLN A 37 -14.255 12.975 2.061 1.00 4.06 H new ATOM 0 HG2 GLN A 37 -15.450 12.038 0.090 1.00 4.18 H new ATOM 0 HG3 GLN A 37 -13.912 11.600 -0.627 1.00 4.18 H new ATOM 0 HE21 GLN A 37 -12.658 9.895 0.261 1.00 5.25 H new ATOM 0 HE22 GLN A 37 -13.373 8.717 1.365 1.00 5.25 H new ATOM 542 N SER A 38 -13.536 16.504 1.086 1.00 3.75 N ATOM 543 CA SER A 38 -13.011 17.619 1.867 1.00 4.18 C ATOM 544 C SER A 38 -13.426 17.502 3.331 1.00 4.18 C ATOM 545 O SER A 38 -14.437 18.068 3.747 1.00 4.39 O ATOM 546 CB SER A 38 -13.500 18.949 1.289 1.00 4.65 C ATOM 547 OG SER A 38 -13.077 19.108 -0.054 1.00 4.88 O ATOM 0 H SER A 38 -14.260 16.763 0.416 1.00 3.75 H new ATOM 0 HA SER A 38 -11.923 17.587 1.814 1.00 4.18 H new ATOM 0 HB2 SER A 38 -14.588 18.992 1.338 1.00 4.65 H new ATOM 0 HB3 SER A 38 -13.120 19.773 1.893 1.00 4.65 H new ATOM 0 HG SER A 38 -13.404 19.964 -0.401 1.00 4.88 H new ATOM 553 N THR A 39 -12.639 16.760 4.105 1.00 4.37 N ATOM 554 CA THR A 39 -12.922 16.566 5.523 1.00 4.62 C ATOM 555 C THR A 39 -11.659 16.735 6.361 1.00 4.92 C ATOM 556 O THR A 39 -10.570 16.336 5.948 1.00 5.20 O ATOM 557 CB THR A 39 -13.518 15.173 5.791 1.00 4.99 C ATOM 558 OG1 THR A 39 -12.581 14.156 5.416 1.00 5.27 O ATOM 559 CG2 THR A 39 -14.814 14.982 5.018 1.00 5.22 C ATOM 0 H THR A 39 -11.800 16.283 3.774 1.00 4.37 H new ATOM 0 HA THR A 39 -13.650 17.325 5.808 1.00 4.62 H new ATOM 0 HB THR A 39 -13.732 15.094 6.857 1.00 4.99 H new ATOM 0 HG1 THR A 39 -12.809 13.318 5.869 1.00 5.27 H new ATOM 0 HG21 THR A 39 -15.217 13.990 5.223 1.00 5.22 H new ATOM 0 HG22 THR A 39 -15.536 15.738 5.326 1.00 5.22 H new ATOM 0 HG23 THR A 39 -14.619 15.081 3.950 1.00 5.22 H new ATOM 567 N THR A 40 -11.813 17.328 7.540 1.00 5.20 N ATOM 568 CA THR A 40 -10.685 17.551 8.436 1.00 5.70 C ATOM 569 C THR A 40 -10.729 16.599 9.626 1.00 5.69 C ATOM 570 O THR A 40 -10.258 16.927 10.715 1.00 6.22 O ATOM 571 CB THR A 40 -10.659 19.002 8.950 1.00 6.36 C ATOM 572 OG1 THR A 40 -11.878 19.299 9.643 1.00 6.91 O ATOM 573 CG2 THR A 40 -10.474 19.978 7.799 1.00 6.50 C ATOM 0 H THR A 40 -12.708 17.663 7.897 1.00 5.20 H new ATOM 0 HA THR A 40 -9.779 17.361 7.860 1.00 5.70 H new ATOM 0 HB THR A 40 -9.818 19.107 9.635 1.00 6.36 H new ATOM 0 HG1 THR A 40 -11.853 20.223 9.968 1.00 6.91 H new ATOM 0 HG21 THR A 40 -10.459 20.997 8.185 1.00 6.50 H new ATOM 0 HG22 THR A 40 -9.532 19.768 7.292 1.00 6.50 H new ATOM 0 HG23 THR A 40 -11.298 19.870 7.094 1.00 6.50 H new ATOM 581 N GLY A 41 -11.294 15.416 9.408 1.00 5.25 N ATOM 582 CA GLY A 41 -11.389 14.430 10.468 1.00 5.36 C ATOM 583 C GLY A 41 -11.029 13.036 9.995 1.00 4.81 C ATOM 584 O GLY A 41 -10.234 12.343 10.630 1.00 4.96 O ATOM 0 H GLY A 41 -11.688 15.122 8.514 1.00 5.25 H new ATOM 0 HA2 GLY A 41 -10.727 14.715 11.286 1.00 5.36 H new ATOM 0 HA3 GLY A 41 -12.404 14.425 10.866 1.00 5.36 H new ATOM 588 N GLU A 42 -11.614 12.627 8.874 1.00 4.49 N ATOM 589 CA GLU A 42 -11.351 11.307 8.311 1.00 4.09 C ATOM 590 C GLU A 42 -11.218 11.381 6.793 1.00 3.18 C ATOM 591 O GLU A 42 -12.213 11.341 6.069 1.00 3.30 O ATOM 592 CB GLU A 42 -12.468 10.333 8.691 1.00 4.75 C ATOM 593 CG GLU A 42 -12.574 10.081 10.186 1.00 5.90 C ATOM 594 CD GLU A 42 -13.702 9.132 10.539 1.00 6.74 C ATOM 595 OE1 GLU A 42 -13.473 7.903 10.520 1.00 7.22 O ATOM 596 OE2 GLU A 42 -14.815 9.615 10.834 1.00 7.14 O ATOM 0 H GLU A 42 -12.273 13.190 8.337 1.00 4.49 H new ATOM 0 HA GLU A 42 -10.409 10.945 8.724 1.00 4.09 H new ATOM 0 HB2 GLU A 42 -13.419 10.724 8.329 1.00 4.75 H new ATOM 0 HB3 GLU A 42 -12.300 9.384 8.182 1.00 4.75 H new ATOM 0 HG2 GLU A 42 -11.632 9.670 10.549 1.00 5.90 H new ATOM 0 HG3 GLU A 42 -12.728 11.030 10.701 1.00 5.90 H new ATOM 603 N ALA A 43 -9.980 11.491 6.318 1.00 2.78 N ATOM 604 CA ALA A 43 -9.710 11.567 4.892 1.00 2.36 C ATOM 605 C ALA A 43 -8.421 10.828 4.552 1.00 2.13 C ATOM 606 O ALA A 43 -7.960 9.982 5.318 1.00 2.67 O ATOM 607 CB ALA A 43 -9.628 13.023 4.453 1.00 3.05 C ATOM 0 H ALA A 43 -9.147 11.529 6.906 1.00 2.78 H new ATOM 0 HA ALA A 43 -10.527 11.087 4.354 1.00 2.36 H new ATOM 0 HB1 ALA A 43 -9.425 13.070 3.383 1.00 3.05 H new ATOM 0 HB2 ALA A 43 -10.574 13.521 4.665 1.00 3.05 H new ATOM 0 HB3 ALA A 43 -8.826 13.522 4.996 1.00 3.05 H new ATOM 613 N THR A 44 -7.852 11.155 3.397 1.00 1.84 N ATOM 614 CA THR A 44 -6.614 10.533 2.927 1.00 1.65 C ATOM 615 C THR A 44 -6.686 9.008 3.009 1.00 1.26 C ATOM 616 O THR A 44 -7.760 8.435 3.191 1.00 1.53 O ATOM 617 CB THR A 44 -5.391 11.028 3.725 1.00 2.07 C ATOM 618 OG1 THR A 44 -5.527 10.687 5.109 1.00 2.30 O ATOM 619 CG2 THR A 44 -5.226 12.533 3.583 1.00 2.53 C ATOM 0 H THR A 44 -8.232 11.856 2.760 1.00 1.84 H new ATOM 0 HA THR A 44 -6.497 10.827 1.884 1.00 1.65 H new ATOM 0 HB THR A 44 -4.505 10.539 3.321 1.00 2.07 H new ATOM 0 HG1 THR A 44 -6.265 10.051 5.218 1.00 2.30 H new ATOM 0 HG21 THR A 44 -4.357 12.859 4.154 1.00 2.53 H new ATOM 0 HG22 THR A 44 -5.085 12.786 2.532 1.00 2.53 H new ATOM 0 HG23 THR A 44 -6.117 13.034 3.960 1.00 2.53 H new ATOM 627 N GLY A 45 -5.536 8.357 2.860 1.00 1.05 N ATOM 628 CA GLY A 45 -5.494 6.907 2.921 1.00 0.80 C ATOM 629 C GLY A 45 -4.261 6.332 2.251 1.00 0.75 C ATOM 630 O GLY A 45 -3.835 5.222 2.572 1.00 1.14 O ATOM 0 H GLY A 45 -4.635 8.806 2.699 1.00 1.05 H new ATOM 0 HA2 GLY A 45 -5.518 6.590 3.964 1.00 0.80 H new ATOM 0 HA3 GLY A 45 -6.386 6.501 2.444 1.00 0.80 H new ATOM 634 N ILE A 46 -3.691 7.089 1.316 1.00 0.46 N ATOM 635 CA ILE A 46 -2.499 6.656 0.595 1.00 0.39 C ATOM 636 C ILE A 46 -2.750 5.346 -0.145 1.00 0.39 C ATOM 637 O ILE A 46 -2.631 4.263 0.429 1.00 0.57 O ATOM 638 CB ILE A 46 -1.298 6.479 1.548 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.022 7.779 2.312 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.063 6.035 0.777 1.00 0.43 C ATOM 641 CD1 ILE A 46 -0.701 8.961 1.420 1.00 0.55 C ATOM 0 H ILE A 46 -4.038 8.008 1.040 1.00 0.46 H new ATOM 0 HA ILE A 46 -2.264 7.437 -0.128 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.545 5.702 2.272 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -1.893 8.022 2.921 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.189 7.617 2.996 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.773 5.916 1.466 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.265 5.084 0.283 1.00 0.43 H new ATOM 0 HG23 ILE A 46 0.188 6.786 0.029 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.518 9.842 2.035 1.00 0.55 H new ATOM 0 HD12 ILE A 46 0.188 8.740 0.829 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.542 9.152 0.753 1.00 0.55 H new ATOM 653 N TYR A 47 -3.094 5.452 -1.425 1.00 0.30 N ATOM 654 CA TYR A 47 -3.365 4.275 -2.244 1.00 0.30 C ATOM 655 C TYR A 47 -2.409 4.200 -3.432 1.00 0.26 C ATOM 656 O TYR A 47 -2.116 5.211 -4.072 1.00 0.29 O ATOM 657 CB TYR A 47 -4.814 4.295 -2.737 1.00 0.36 C ATOM 658 CG TYR A 47 -5.159 5.507 -3.576 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.531 6.706 -2.980 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.113 5.451 -4.963 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.849 7.814 -3.743 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.430 6.555 -5.733 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.797 7.733 -5.118 1.00 0.58 C ATOM 664 OH TYR A 47 -6.112 8.834 -5.881 1.00 0.70 O ATOM 0 H TYR A 47 -3.192 6.340 -1.917 1.00 0.30 H new ATOM 0 HA TYR A 47 -3.210 3.391 -1.626 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -5.001 3.395 -3.322 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.481 4.259 -1.876 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.572 6.773 -1.903 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.825 4.530 -5.448 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -6.137 8.738 -3.264 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.390 6.495 -6.811 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.024 8.610 -6.831 1.00 0.70 H new ATOM 674 N VAL A 48 -1.925 2.995 -3.717 1.00 0.26 N ATOM 675 CA VAL A 48 -1.007 2.782 -4.830 1.00 0.25 C ATOM 676 C VAL A 48 -1.766 2.696 -6.149 1.00 0.28 C ATOM 677 O VAL A 48 -2.665 1.868 -6.305 1.00 0.39 O ATOM 678 CB VAL A 48 -0.179 1.497 -4.643 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.799 1.317 -5.793 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.555 1.526 -3.312 1.00 0.29 C ATOM 0 H VAL A 48 -2.154 2.151 -3.192 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.330 3.636 -4.852 1.00 0.25 H new ATOM 0 HB VAL A 48 -0.860 0.646 -4.640 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.374 0.404 -5.642 1.00 0.29 H new ATOM 0 HG12 VAL A 48 0.249 1.248 -6.731 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.476 2.170 -5.832 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.135 0.610 -3.196 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.225 2.386 -3.284 1.00 0.29 H new ATOM 0 HG23 VAL A 48 -0.168 1.603 -2.500 1.00 0.29 H new ATOM 690 N LYS A 49 -1.393 3.554 -7.094 1.00 0.31 N ATOM 691 CA LYS A 49 -2.038 3.581 -8.401 1.00 0.38 C ATOM 692 C LYS A 49 -1.131 2.984 -9.472 1.00 0.32 C ATOM 693 O LYS A 49 -1.612 2.431 -10.461 1.00 0.37 O ATOM 694 CB LYS A 49 -2.408 5.017 -8.777 1.00 0.49 C ATOM 695 CG LYS A 49 -3.068 5.138 -10.143 1.00 0.61 C ATOM 696 CD LYS A 49 -3.256 6.591 -10.550 1.00 0.84 C ATOM 697 CE LYS A 49 -4.305 7.284 -9.693 1.00 1.65 C ATOM 698 NZ LYS A 49 -4.533 8.691 -10.125 1.00 2.40 N ATOM 0 H LYS A 49 -0.647 4.240 -6.978 1.00 0.31 H new ATOM 0 HA LYS A 49 -2.944 2.978 -8.342 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -3.081 5.420 -8.020 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.508 5.631 -8.762 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.458 4.627 -10.888 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -4.036 4.637 -10.125 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -2.307 7.119 -10.462 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -3.552 6.640 -11.598 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -5.242 6.731 -9.748 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -3.988 7.271 -8.650 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -5.254 9.128 -9.517 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -3.644 9.226 -10.048 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -4.860 8.702 -11.112 1.00 2.40 H new ATOM 712 N SER A 50 0.178 3.099 -9.276 1.00 0.28 N ATOM 713 CA SER A 50 1.137 2.573 -10.241 1.00 0.35 C ATOM 714 C SER A 50 2.300 1.868 -9.550 1.00 0.28 C ATOM 715 O SER A 50 2.485 1.987 -8.337 1.00 0.25 O ATOM 716 CB SER A 50 1.668 3.700 -11.127 1.00 0.49 C ATOM 717 OG SER A 50 0.616 4.324 -11.843 1.00 1.28 O ATOM 0 H SER A 50 0.598 3.549 -8.463 1.00 0.28 H new ATOM 0 HA SER A 50 0.616 1.841 -10.857 1.00 0.35 H new ATOM 0 HB2 SER A 50 2.182 4.439 -10.512 1.00 0.49 H new ATOM 0 HB3 SER A 50 2.402 3.301 -11.827 1.00 0.49 H new ATOM 0 HG SER A 50 0.981 5.042 -12.401 1.00 1.28 H new ATOM 723 N LEU A 51 3.082 1.133 -10.337 1.00 0.32 N ATOM 724 CA LEU A 51 4.235 0.405 -9.819 1.00 0.27 C ATOM 725 C LEU A 51 5.427 0.543 -10.758 1.00 0.27 C ATOM 726 O LEU A 51 5.276 0.930 -11.918 1.00 0.42 O ATOM 727 CB LEU A 51 3.895 -1.076 -9.638 1.00 0.30 C ATOM 728 CG LEU A 51 2.740 -1.375 -8.681 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.401 -2.857 -8.710 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.088 -0.937 -7.266 1.00 0.32 C ATOM 0 H LEU A 51 2.936 1.026 -11.341 1.00 0.32 H new ATOM 0 HA LEU A 51 4.496 0.834 -8.852 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.653 -1.497 -10.614 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.784 -1.594 -9.279 1.00 0.30 H new ATOM 0 HG LEU A 51 1.867 -0.811 -9.008 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.577 -3.055 -8.024 1.00 0.40 H new ATOM 0 HD12 LEU A 51 2.109 -3.144 -9.720 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.273 -3.436 -8.406 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.253 -1.158 -6.601 1.00 0.32 H new ATOM 0 HD22 LEU A 51 3.974 -1.473 -6.927 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.286 0.135 -7.255 1.00 0.32 H new ATOM 742 N ILE A 52 6.613 0.222 -10.252 1.00 0.24 N ATOM 743 CA ILE A 52 7.833 0.303 -11.045 1.00 0.24 C ATOM 744 C ILE A 52 8.271 -1.087 -11.511 1.00 0.23 C ATOM 745 O ILE A 52 8.856 -1.845 -10.738 1.00 0.28 O ATOM 746 CB ILE A 52 8.976 0.956 -10.247 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.584 2.381 -9.848 1.00 0.36 C ATOM 748 CG2 ILE A 52 10.263 0.957 -11.063 1.00 0.31 C ATOM 749 CD1 ILE A 52 9.638 3.097 -9.038 1.00 1.26 C ATOM 0 H ILE A 52 6.755 -0.097 -9.294 1.00 0.24 H new ATOM 0 HA ILE A 52 7.613 0.922 -11.915 1.00 0.24 H new ATOM 0 HB ILE A 52 9.152 0.376 -9.341 1.00 0.27 H new ATOM 0 HG12 ILE A 52 8.378 2.957 -10.750 1.00 0.36 H new ATOM 0 HG13 ILE A 52 7.658 2.346 -9.273 1.00 0.36 H new ATOM 0 HG21 ILE A 52 11.061 1.422 -10.484 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.541 -0.069 -11.305 1.00 0.31 H new ATOM 0 HG23 ILE A 52 10.109 1.518 -11.985 1.00 0.31 H new ATOM 0 HD11 ILE A 52 9.289 4.100 -8.793 1.00 1.26 H new ATOM 0 HD12 ILE A 52 9.828 2.544 -8.118 1.00 1.26 H new ATOM 0 HD13 ILE A 52 10.559 3.165 -9.618 1.00 1.26 H new ATOM 761 N PRO A 53 7.990 -1.442 -12.782 1.00 0.31 N ATOM 762 CA PRO A 53 8.359 -2.752 -13.335 1.00 0.35 C ATOM 763 C PRO A 53 9.858 -3.016 -13.244 1.00 0.34 C ATOM 764 O PRO A 53 10.625 -2.609 -14.116 1.00 0.46 O ATOM 765 CB PRO A 53 7.915 -2.673 -14.803 1.00 0.43 C ATOM 766 CG PRO A 53 7.733 -1.220 -15.080 1.00 0.82 C ATOM 767 CD PRO A 53 7.304 -0.606 -13.780 1.00 0.47 C ATOM 0 HA PRO A 53 7.890 -3.568 -12.784 1.00 0.35 H new ATOM 0 HB2 PRO A 53 8.664 -3.109 -15.465 1.00 0.43 H new ATOM 0 HB3 PRO A 53 6.988 -3.223 -14.964 1.00 0.43 H new ATOM 0 HG2 PRO A 53 8.660 -0.771 -15.437 1.00 0.82 H new ATOM 0 HG3 PRO A 53 6.982 -1.061 -15.854 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.605 0.439 -13.708 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.221 -0.635 -13.657 1.00 0.47 H new ATOM 775 N GLY A 54 10.265 -3.702 -12.180 1.00 0.39 N ATOM 776 CA GLY A 54 11.669 -4.011 -11.987 1.00 0.41 C ATOM 777 C GLY A 54 12.075 -3.965 -10.527 1.00 0.39 C ATOM 778 O GLY A 54 13.193 -4.344 -10.174 1.00 0.49 O ATOM 0 H GLY A 54 9.646 -4.049 -11.448 1.00 0.39 H new ATOM 0 HA2 GLY A 54 11.879 -5.002 -12.389 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.275 -3.303 -12.552 1.00 0.41 H new ATOM 782 N SER A 55 11.166 -3.498 -9.677 1.00 0.35 N ATOM 783 CA SER A 55 11.435 -3.402 -8.247 1.00 0.35 C ATOM 784 C SER A 55 10.885 -4.618 -7.508 1.00 0.32 C ATOM 785 O SER A 55 10.281 -5.501 -8.113 1.00 0.36 O ATOM 786 CB SER A 55 10.823 -2.122 -7.678 1.00 0.37 C ATOM 787 OG SER A 55 11.363 -0.973 -8.308 1.00 1.23 O ATOM 0 H SER A 55 10.237 -3.180 -9.954 1.00 0.35 H new ATOM 0 HA SER A 55 12.515 -3.373 -8.105 1.00 0.35 H new ATOM 0 HB2 SER A 55 9.742 -2.141 -7.814 1.00 0.37 H new ATOM 0 HB3 SER A 55 11.008 -2.073 -6.605 1.00 0.37 H new ATOM 0 HG SER A 55 10.954 -0.168 -7.927 1.00 1.23 H new ATOM 793 N ALA A 56 11.096 -4.655 -6.195 1.00 0.35 N ATOM 794 CA ALA A 56 10.630 -5.767 -5.373 1.00 0.36 C ATOM 795 C ALA A 56 9.117 -5.948 -5.473 1.00 0.32 C ATOM 796 O ALA A 56 8.632 -7.039 -5.772 1.00 0.34 O ATOM 797 CB ALA A 56 11.038 -5.554 -3.924 1.00 0.42 C ATOM 0 H ALA A 56 11.587 -3.926 -5.677 1.00 0.35 H new ATOM 0 HA ALA A 56 11.098 -6.677 -5.749 1.00 0.36 H new ATOM 0 HB1 ALA A 56 10.685 -6.390 -3.320 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.124 -5.491 -3.857 1.00 0.42 H new ATOM 0 HB3 ALA A 56 10.598 -4.628 -3.554 1.00 0.42 H new ATOM 803 N ALA A 57 8.379 -4.870 -5.223 1.00 0.30 N ATOM 804 CA ALA A 57 6.918 -4.906 -5.271 1.00 0.30 C ATOM 805 C ALA A 57 6.406 -5.430 -6.611 1.00 0.30 C ATOM 806 O ALA A 57 5.411 -6.153 -6.663 1.00 0.35 O ATOM 807 CB ALA A 57 6.350 -3.520 -5.000 1.00 0.32 C ATOM 0 H ALA A 57 8.769 -3.958 -4.984 1.00 0.30 H new ATOM 0 HA ALA A 57 6.580 -5.594 -4.496 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.261 -3.559 -5.038 1.00 0.32 H new ATOM 0 HB2 ALA A 57 6.667 -3.184 -4.013 1.00 0.32 H new ATOM 0 HB3 ALA A 57 6.715 -2.823 -5.755 1.00 0.32 H new ATOM 813 N ALA A 58 7.090 -5.066 -7.692 1.00 0.31 N ATOM 814 CA ALA A 58 6.690 -5.490 -9.032 1.00 0.33 C ATOM 815 C ALA A 58 7.098 -6.933 -9.320 1.00 0.34 C ATOM 816 O ALA A 58 6.407 -7.646 -10.047 1.00 0.44 O ATOM 817 CB ALA A 58 7.282 -4.556 -10.077 1.00 0.37 C ATOM 0 H ALA A 58 7.924 -4.479 -7.667 1.00 0.31 H new ATOM 0 HA ALA A 58 5.602 -5.442 -9.081 1.00 0.33 H new ATOM 0 HB1 ALA A 58 6.977 -4.882 -11.071 1.00 0.37 H new ATOM 0 HB2 ALA A 58 6.924 -3.541 -9.902 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.370 -4.574 -10.007 1.00 0.37 H new ATOM 823 N LEU A 59 8.222 -7.360 -8.752 1.00 0.35 N ATOM 824 CA LEU A 59 8.713 -8.720 -8.963 1.00 0.39 C ATOM 825 C LEU A 59 7.730 -9.752 -8.421 1.00 0.42 C ATOM 826 O LEU A 59 7.293 -10.646 -9.146 1.00 0.57 O ATOM 827 CB LEU A 59 10.082 -8.906 -8.303 1.00 0.47 C ATOM 828 CG LEU A 59 11.256 -8.260 -9.042 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.533 -8.386 -8.225 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.437 -8.892 -10.414 1.00 0.61 C ATOM 0 H LEU A 59 8.808 -6.788 -8.145 1.00 0.35 H new ATOM 0 HA LEU A 59 8.813 -8.873 -10.038 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.039 -8.496 -7.294 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.278 -9.974 -8.206 1.00 0.47 H new ATOM 0 HG LEU A 59 11.036 -7.201 -9.178 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.358 -7.921 -8.765 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.401 -7.887 -7.265 1.00 0.66 H new ATOM 0 HD13 LEU A 59 12.756 -9.440 -8.059 1.00 0.66 H new ATOM 0 HD21 LEU A 59 12.276 -8.420 -10.924 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.635 -9.958 -10.300 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.530 -8.752 -11.002 1.00 0.61 H new ATOM 842 N ASP A 60 7.390 -9.625 -7.143 1.00 0.44 N ATOM 843 CA ASP A 60 6.460 -10.549 -6.503 1.00 0.52 C ATOM 844 C ASP A 60 5.119 -10.568 -7.228 1.00 0.61 C ATOM 845 O ASP A 60 4.525 -11.628 -7.427 1.00 0.79 O ATOM 846 CB ASP A 60 6.257 -10.167 -5.036 1.00 0.74 C ATOM 847 CG ASP A 60 7.527 -10.308 -4.221 1.00 1.08 C ATOM 848 OD1 ASP A 60 8.417 -9.441 -4.355 1.00 1.32 O ATOM 849 OD2 ASP A 60 7.632 -11.284 -3.449 1.00 1.86 O ATOM 0 H ASP A 60 7.744 -8.891 -6.530 1.00 0.44 H new ATOM 0 HA ASP A 60 6.891 -11.549 -6.555 1.00 0.52 H new ATOM 0 HB2 ASP A 60 5.903 -9.138 -4.977 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.479 -10.797 -4.604 1.00 0.74 H new ATOM 854 N GLY A 61 4.649 -9.387 -7.620 1.00 0.72 N ATOM 855 CA GLY A 61 3.384 -9.287 -8.325 1.00 1.06 C ATOM 856 C GLY A 61 2.189 -9.361 -7.395 1.00 0.83 C ATOM 857 O GLY A 61 1.062 -9.078 -7.803 1.00 0.94 O ATOM 0 H GLY A 61 5.122 -8.497 -7.462 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.353 -8.347 -8.876 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.318 -10.089 -9.060 1.00 1.06 H new ATOM 861 N ARG A 62 2.434 -9.740 -6.144 1.00 0.63 N ATOM 862 CA ARG A 62 1.365 -9.853 -5.157 1.00 0.59 C ATOM 863 C ARG A 62 0.718 -8.495 -4.900 1.00 0.52 C ATOM 864 O ARG A 62 -0.381 -8.414 -4.352 1.00 0.69 O ATOM 865 CB ARG A 62 1.906 -10.435 -3.850 1.00 0.67 C ATOM 866 CG ARG A 62 2.428 -11.856 -3.990 1.00 0.81 C ATOM 867 CD ARG A 62 2.908 -12.411 -2.659 1.00 1.05 C ATOM 868 NE ARG A 62 1.849 -12.416 -1.653 1.00 1.31 N ATOM 869 CZ ARG A 62 1.843 -13.215 -0.589 1.00 1.93 C ATOM 870 NH1 ARG A 62 2.838 -14.070 -0.389 1.00 2.26 N ATOM 871 NH2 ARG A 62 0.842 -13.159 0.280 1.00 2.59 N ATOM 0 H ARG A 62 3.362 -9.974 -5.790 1.00 0.63 H new ATOM 0 HA ARG A 62 0.605 -10.526 -5.555 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.709 -9.796 -3.482 1.00 0.67 H new ATOM 0 HB3 ARG A 62 1.116 -10.419 -3.100 1.00 0.67 H new ATOM 0 HG2 ARG A 62 1.640 -12.496 -4.388 1.00 0.81 H new ATOM 0 HG3 ARG A 62 3.247 -11.874 -4.709 1.00 0.81 H new ATOM 0 HD2 ARG A 62 3.277 -13.427 -2.802 1.00 1.05 H new ATOM 0 HD3 ARG A 62 3.747 -11.815 -2.299 1.00 1.05 H new ATOM 0 HE ARG A 62 1.069 -11.770 -1.773 1.00 1.31 H new ATOM 0 HH11 ARG A 62 3.612 -14.117 -1.052 1.00 2.26 H new ATOM 0 HH12 ARG A 62 2.829 -14.681 0.428 1.00 2.26 H new ATOM 0 HH21 ARG A 62 0.075 -12.503 0.133 1.00 2.59 H new ATOM 0 HH22 ARG A 62 0.839 -13.772 1.095 1.00 2.59 H new ATOM 885 N ILE A 63 1.409 -7.433 -5.302 1.00 0.48 N ATOM 886 CA ILE A 63 0.902 -6.077 -5.124 1.00 0.48 C ATOM 887 C ILE A 63 0.383 -5.512 -6.442 1.00 0.49 C ATOM 888 O ILE A 63 1.145 -5.318 -7.388 1.00 0.59 O ATOM 889 CB ILE A 63 1.992 -5.138 -4.567 1.00 0.58 C ATOM 890 CG1 ILE A 63 2.518 -5.673 -3.233 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.446 -3.726 -4.404 1.00 0.66 C ATOM 892 CD1 ILE A 63 3.695 -4.894 -2.686 1.00 0.92 C ATOM 0 H ILE A 63 2.322 -7.485 -5.753 1.00 0.48 H new ATOM 0 HA ILE A 63 0.083 -6.134 -4.407 1.00 0.48 H new ATOM 0 HB ILE A 63 2.820 -5.103 -5.275 1.00 0.58 H new ATOM 0 HG12 ILE A 63 1.711 -5.656 -2.501 1.00 0.66 H new ATOM 0 HG13 ILE A 63 2.811 -6.715 -3.360 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.228 -3.077 -4.010 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.115 -3.350 -5.372 1.00 0.66 H new ATOM 0 HG23 ILE A 63 0.603 -3.739 -3.713 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.013 -5.331 -1.739 1.00 0.92 H new ATOM 0 HD12 ILE A 63 4.519 -4.932 -3.398 1.00 0.92 H new ATOM 0 HD13 ILE A 63 3.402 -3.856 -2.526 1.00 0.92 H new ATOM 904 N GLU A 64 -0.919 -5.249 -6.496 1.00 0.51 N ATOM 905 CA GLU A 64 -1.541 -4.706 -7.700 1.00 0.58 C ATOM 906 C GLU A 64 -1.459 -3.180 -7.723 1.00 0.56 C ATOM 907 O GLU A 64 -1.350 -2.543 -6.675 1.00 0.66 O ATOM 908 CB GLU A 64 -3.004 -5.146 -7.789 1.00 0.79 C ATOM 909 CG GLU A 64 -3.220 -6.400 -8.620 1.00 1.09 C ATOM 910 CD GLU A 64 -2.468 -7.598 -8.077 1.00 1.39 C ATOM 911 OE1 GLU A 64 -3.003 -8.278 -7.176 1.00 1.67 O ATOM 912 OE2 GLU A 64 -1.343 -7.859 -8.552 1.00 1.98 O ATOM 0 H GLU A 64 -1.564 -5.403 -5.721 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.996 -5.094 -8.560 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -3.383 -5.320 -6.782 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.592 -4.334 -8.215 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -4.285 -6.630 -8.654 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -2.902 -6.211 -9.645 1.00 1.09 H new ATOM 919 N PRO A 65 -1.510 -2.576 -8.927 1.00 0.56 N ATOM 920 CA PRO A 65 -1.449 -1.120 -9.088 1.00 0.64 C ATOM 921 C PRO A 65 -2.781 -0.442 -8.776 1.00 0.72 C ATOM 922 O PRO A 65 -3.171 0.516 -9.446 1.00 1.44 O ATOM 923 CB PRO A 65 -1.104 -0.956 -10.566 1.00 0.77 C ATOM 924 CG PRO A 65 -1.724 -2.141 -11.222 1.00 0.83 C ATOM 925 CD PRO A 65 -1.617 -3.268 -10.230 1.00 0.62 C ATOM 0 HA PRO A 65 -0.733 -0.660 -8.407 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -1.504 -0.025 -10.967 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -0.026 -0.933 -10.723 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -2.765 -1.945 -11.479 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -1.208 -2.388 -12.150 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -2.490 -3.919 -10.267 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.745 -3.892 -10.425 1.00 0.62 H new ATOM 933 N ASN A 66 -3.477 -0.943 -7.760 1.00 0.60 N ATOM 934 CA ASN A 66 -4.765 -0.383 -7.365 1.00 0.59 C ATOM 935 C ASN A 66 -5.168 -0.879 -5.979 1.00 0.51 C ATOM 936 O ASN A 66 -6.170 -1.580 -5.825 1.00 0.73 O ATOM 937 CB ASN A 66 -5.841 -0.754 -8.389 1.00 0.66 C ATOM 938 CG ASN A 66 -7.169 -0.080 -8.106 1.00 1.34 C ATOM 939 OD1 ASN A 66 -7.216 1.024 -7.562 1.00 2.15 O ATOM 940 ND2 ASN A 66 -8.259 -0.742 -8.476 1.00 2.01 N ATOM 0 H ASN A 66 -3.171 -1.735 -7.195 1.00 0.60 H new ATOM 0 HA ASN A 66 -4.669 0.702 -7.329 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -5.501 -0.475 -9.386 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -5.979 -1.835 -8.391 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -9.181 -0.338 -8.312 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -8.174 -1.654 -8.924 1.00 2.01 H new ATOM 947 N ASP A 67 -4.383 -0.509 -4.974 1.00 0.36 N ATOM 948 CA ASP A 67 -4.655 -0.918 -3.599 1.00 0.34 C ATOM 949 C ASP A 67 -4.569 0.276 -2.656 1.00 0.30 C ATOM 950 O ASP A 67 -4.082 1.339 -3.037 1.00 0.38 O ATOM 951 CB ASP A 67 -3.664 -1.998 -3.161 1.00 0.41 C ATOM 952 CG ASP A 67 -2.237 -1.487 -3.115 1.00 1.17 C ATOM 953 OD1 ASP A 67 -1.546 -1.564 -4.153 1.00 2.02 O ATOM 954 OD2 ASP A 67 -1.811 -1.012 -2.042 1.00 1.46 O ATOM 0 H ASP A 67 -3.553 0.073 -5.084 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.666 -1.324 -3.557 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.946 -2.369 -2.176 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -3.723 -2.842 -3.848 1.00 0.41 H new ATOM 959 N LYS A 68 -5.046 0.097 -1.427 1.00 0.27 N ATOM 960 CA LYS A 68 -5.015 1.171 -0.442 1.00 0.28 C ATOM 961 C LYS A 68 -4.069 0.838 0.706 1.00 0.26 C ATOM 962 O LYS A 68 -4.372 -0.006 1.551 1.00 0.38 O ATOM 963 CB LYS A 68 -6.420 1.438 0.097 1.00 0.37 C ATOM 964 CG LYS A 68 -6.478 2.586 1.089 1.00 0.53 C ATOM 965 CD LYS A 68 -7.901 2.851 1.552 1.00 0.53 C ATOM 966 CE LYS A 68 -7.953 4.008 2.533 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.346 4.318 2.955 1.00 1.02 N ATOM 0 H LYS A 68 -5.455 -0.775 -1.092 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.647 2.070 -0.937 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.086 1.655 -0.738 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.795 0.534 0.577 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.851 2.356 1.950 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.070 3.486 0.629 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.531 3.073 0.691 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.306 1.955 2.021 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.353 3.767 3.411 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.507 4.891 2.076 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.337 5.114 3.625 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.913 4.574 2.121 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.763 3.484 3.415 1.00 1.02 H new ATOM 981 N ILE A 69 -2.920 1.507 0.732 1.00 0.24 N ATOM 982 CA ILE A 69 -1.926 1.290 1.777 1.00 0.21 C ATOM 983 C ILE A 69 -2.475 1.697 3.141 1.00 0.21 C ATOM 984 O ILE A 69 -3.225 2.666 3.255 1.00 0.29 O ATOM 985 CB ILE A 69 -0.634 2.085 1.494 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.081 1.733 0.110 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.408 1.814 2.570 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.294 0.274 -0.049 1.00 0.28 C ATOM 0 H ILE A 69 -2.654 2.206 0.039 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.692 0.225 1.784 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.874 3.148 1.510 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -0.825 1.991 -0.644 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.798 2.347 -0.086 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.312 2.383 2.353 1.00 0.23 H new ATOM 0 HG22 ILE A 69 0.015 2.114 3.541 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.645 0.750 2.587 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.677 0.104 -1.055 1.00 0.28 H new ATOM 0 HD12 ILE A 69 1.061 0.014 0.680 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.586 -0.348 0.114 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.099 0.949 4.174 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.558 1.231 5.529 1.00 0.21 C ATOM 1002 C LEU A 70 -1.393 1.603 6.440 1.00 0.20 C ATOM 1003 O LEU A 70 -1.371 2.685 7.030 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.295 0.018 6.099 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.492 -0.462 5.274 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.000 -1.793 5.804 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.603 0.578 5.288 1.00 0.38 C ATOM 0 H LEU A 70 -1.478 0.143 4.098 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.240 2.080 5.482 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.587 -0.805 6.196 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.640 0.261 7.104 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.167 -0.601 4.243 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -5.851 -2.121 5.207 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.205 -2.536 5.742 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.308 -1.677 6.843 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.445 0.219 4.696 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -5.928 0.750 6.314 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.233 1.511 4.863 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.424 0.701 6.554 1.00 0.20 N ATOM 1020 CA ARG A 71 0.735 0.942 7.402 1.00 0.25 C ATOM 1021 C ARG A 71 1.907 0.045 7.014 1.00 0.18 C ATOM 1022 O ARG A 71 1.737 -1.150 6.764 1.00 0.26 O ATOM 1023 CB ARG A 71 0.370 0.716 8.871 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.217 -0.658 9.148 1.00 0.91 C ATOM 1025 CD ARG A 71 -0.631 -0.805 10.604 1.00 0.77 C ATOM 1026 NE ARG A 71 0.497 -0.643 11.516 1.00 1.38 N ATOM 1027 CZ ARG A 71 0.444 -0.927 12.813 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -0.679 -1.386 13.350 1.00 1.17 N ATOM 1029 NH2 ARG A 71 1.515 -0.754 13.576 1.00 2.61 N ATOM 0 H ARG A 71 -0.419 -0.198 6.072 1.00 0.20 H new ATOM 0 HA ARG A 71 1.041 1.978 7.260 1.00 0.25 H new ATOM 0 HB2 ARG A 71 1.262 0.851 9.483 1.00 0.38 H new ATOM 0 HB3 ARG A 71 -0.347 1.477 9.180 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -1.082 -0.822 8.505 1.00 0.91 H new ATOM 0 HG3 ARG A 71 0.516 -1.425 8.898 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -1.396 -0.065 10.839 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -1.080 -1.786 10.755 1.00 0.77 H new ATOM 0 HE ARG A 71 1.376 -0.292 11.136 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -1.505 -1.522 12.767 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -0.717 -1.603 14.346 1.00 1.17 H new ATOM 0 HH21 ARG A 71 2.381 -0.402 13.167 1.00 2.61 H new ATOM 0 HH22 ARG A 71 1.473 -0.972 14.571 1.00 2.61 H new ATOM 1043 N VAL A 72 3.094 0.640 6.963 1.00 0.21 N ATOM 1044 CA VAL A 72 4.311 -0.087 6.623 1.00 0.17 C ATOM 1045 C VAL A 72 4.940 -0.669 7.888 1.00 0.17 C ATOM 1046 O VAL A 72 4.442 -0.440 8.988 1.00 0.20 O ATOM 1047 CB VAL A 72 5.331 0.831 5.913 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.355 0.013 5.140 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.618 1.809 4.990 1.00 0.28 C ATOM 0 H VAL A 72 3.239 1.631 7.154 1.00 0.21 H new ATOM 0 HA VAL A 72 4.042 -0.894 5.941 1.00 0.17 H new ATOM 0 HB VAL A 72 5.862 1.401 6.676 1.00 0.20 H new ATOM 0 HG11 VAL A 72 7.061 0.683 4.650 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.892 -0.640 5.827 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.846 -0.591 4.388 1.00 0.22 H new ATOM 0 HG21 VAL A 72 5.353 2.447 4.499 1.00 0.28 H new ATOM 0 HG22 VAL A 72 4.057 1.256 4.237 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.933 2.426 5.572 1.00 0.28 H new ATOM 1059 N ASP A 73 6.016 -1.434 7.728 1.00 0.18 N ATOM 1060 CA ASP A 73 6.709 -2.045 8.862 1.00 0.21 C ATOM 1061 C ASP A 73 6.890 -1.057 10.017 1.00 0.22 C ATOM 1062 O ASP A 73 7.687 -0.122 9.929 1.00 0.23 O ATOM 1063 CB ASP A 73 8.077 -2.565 8.418 1.00 0.26 C ATOM 1064 CG ASP A 73 8.695 -3.508 9.430 1.00 0.47 C ATOM 1065 OD1 ASP A 73 9.368 -3.022 10.363 1.00 0.56 O ATOM 1066 OD2 ASP A 73 8.508 -4.736 9.289 1.00 0.79 O ATOM 0 H ASP A 73 6.430 -1.647 6.820 1.00 0.18 H new ATOM 0 HA ASP A 73 6.093 -2.871 9.217 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.974 -3.079 7.462 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.748 -1.721 8.255 1.00 0.26 H new ATOM 1071 N ASP A 74 6.142 -1.275 11.098 1.00 0.25 N ATOM 1072 CA ASP A 74 6.218 -0.422 12.286 1.00 0.29 C ATOM 1073 C ASP A 74 6.029 1.056 11.946 1.00 0.25 C ATOM 1074 O ASP A 74 6.623 1.927 12.582 1.00 0.29 O ATOM 1075 CB ASP A 74 7.563 -0.622 12.991 1.00 0.35 C ATOM 1076 CG ASP A 74 7.723 -2.024 13.546 1.00 1.20 C ATOM 1077 OD1 ASP A 74 8.145 -2.919 12.785 1.00 2.01 O ATOM 1078 OD2 ASP A 74 7.429 -2.226 14.743 1.00 1.34 O ATOM 0 H ASP A 74 5.472 -2.040 11.176 1.00 0.25 H new ATOM 0 HA ASP A 74 5.405 -0.716 12.950 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.372 -0.418 12.289 1.00 0.35 H new ATOM 0 HB3 ASP A 74 7.655 0.100 13.803 1.00 0.35 H new ATOM 1083 N VAL A 75 5.196 1.334 10.948 1.00 0.27 N ATOM 1084 CA VAL A 75 4.928 2.710 10.530 1.00 0.27 C ATOM 1085 C VAL A 75 3.498 2.859 10.020 1.00 0.37 C ATOM 1086 O VAL A 75 3.069 2.125 9.132 1.00 0.79 O ATOM 1087 CB VAL A 75 5.901 3.171 9.421 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.553 4.576 8.954 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.343 3.112 9.904 1.00 0.41 C ATOM 0 H VAL A 75 4.694 0.626 10.412 1.00 0.27 H new ATOM 0 HA VAL A 75 5.071 3.336 11.411 1.00 0.27 H new ATOM 0 HB VAL A 75 5.797 2.490 8.576 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.249 4.883 8.173 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.537 4.587 8.559 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.623 5.267 9.794 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.008 3.441 9.105 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.464 3.764 10.769 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.591 2.088 10.184 1.00 0.41 H new ATOM 1099 N ASN A 76 2.766 3.814 10.584 1.00 0.30 N ATOM 1100 CA ASN A 76 1.386 4.062 10.177 1.00 0.37 C ATOM 1101 C ASN A 76 1.326 5.203 9.166 1.00 0.42 C ATOM 1102 O ASN A 76 1.780 6.313 9.446 1.00 0.58 O ATOM 1103 CB ASN A 76 0.524 4.395 11.397 1.00 0.46 C ATOM 1104 CG ASN A 76 -0.924 4.661 11.030 1.00 1.35 C ATOM 1105 OD1 ASN A 76 -1.308 5.799 10.761 1.00 2.24 O ATOM 1106 ND2 ASN A 76 -1.734 3.609 11.018 1.00 2.08 N ATOM 0 H ASN A 76 3.104 4.429 11.324 1.00 0.30 H new ATOM 0 HA ASN A 76 0.997 3.158 9.708 1.00 0.37 H new ATOM 0 HB2 ASN A 76 0.570 3.569 12.107 1.00 0.46 H new ATOM 0 HB3 ASN A 76 0.935 5.270 11.900 1.00 0.46 H new ATOM 0 HD21 ASN A 76 -2.719 3.726 10.779 1.00 2.08 H new ATOM 0 HD22 ASN A 76 -1.372 2.684 11.248 1.00 2.08 H new ATOM 1113 N VAL A 77 0.760 4.929 7.991 1.00 0.35 N ATOM 1114 CA VAL A 77 0.659 5.939 6.942 1.00 0.43 C ATOM 1115 C VAL A 77 -0.778 6.415 6.758 1.00 0.53 C ATOM 1116 O VAL A 77 -1.162 6.862 5.676 1.00 0.67 O ATOM 1117 CB VAL A 77 1.192 5.409 5.596 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.673 5.082 5.697 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.401 4.189 5.151 1.00 0.53 C ATOM 0 H VAL A 77 0.367 4.021 7.744 1.00 0.35 H new ATOM 0 HA VAL A 77 1.273 6.781 7.262 1.00 0.43 H new ATOM 0 HB VAL A 77 1.066 6.190 4.846 1.00 0.47 H new ATOM 0 HG11 VAL A 77 3.030 4.710 4.737 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.227 5.982 5.966 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.826 4.320 6.461 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.792 3.829 4.199 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.492 3.403 5.901 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.649 4.459 5.034 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.570 6.318 7.820 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.965 6.742 7.773 1.00 0.72 C ATOM 1131 C GLN A 78 -3.111 8.178 8.266 1.00 0.61 C ATOM 1132 O GLN A 78 -4.177 8.579 8.733 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.834 5.808 8.616 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.868 4.379 8.100 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.438 4.279 6.699 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -3.571 4.378 5.699 1.00 1.39 O flip ATOM 1137 NE2 GLN A 78 -5.645 4.113 6.517 1.00 1.05 N flip ATOM 0 H GLN A 78 -1.271 5.950 8.723 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.299 6.696 6.736 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.463 5.807 9.641 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.851 6.199 8.645 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.858 3.970 8.107 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.465 3.767 8.776 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.276 4.042 7.315 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.013 4.046 5.568 1.00 1.05 H new ATOM 1146 N GLY A 79 -2.031 8.948 8.158 1.00 0.48 N ATOM 1147 CA GLY A 79 -2.061 10.330 8.597 1.00 0.48 C ATOM 1148 C GLY A 79 -0.829 11.107 8.173 1.00 0.41 C ATOM 1149 O GLY A 79 -0.551 12.181 8.708 1.00 0.55 O ATOM 0 H GLY A 79 -1.138 8.639 7.775 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.949 10.816 8.192 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -2.148 10.360 9.683 1.00 0.48 H new ATOM 1153 N MET A 80 -0.086 10.564 7.212 1.00 0.32 N ATOM 1154 CA MET A 80 1.121 11.219 6.717 1.00 0.33 C ATOM 1155 C MET A 80 0.989 11.552 5.236 1.00 0.30 C ATOM 1156 O MET A 80 0.396 10.793 4.468 1.00 0.34 O ATOM 1157 CB MET A 80 2.344 10.329 6.946 1.00 0.39 C ATOM 1158 CG MET A 80 2.639 10.062 8.414 1.00 0.46 C ATOM 1159 SD MET A 80 4.227 9.243 8.667 1.00 0.52 S ATOM 1160 CE MET A 80 4.026 7.782 7.651 1.00 0.48 C ATOM 0 H MET A 80 -0.298 9.674 6.761 1.00 0.32 H new ATOM 0 HA MET A 80 1.252 12.149 7.270 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.191 9.378 6.436 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.215 10.799 6.489 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.630 11.006 8.960 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.845 9.444 8.833 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.067 6.893 8.280 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.063 7.823 7.142 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.826 7.740 6.912 1.00 0.48 H new ATOM 1170 N ALA A 81 1.544 12.694 4.840 1.00 0.29 N ATOM 1171 CA ALA A 81 1.487 13.132 3.450 1.00 0.31 C ATOM 1172 C ALA A 81 2.256 12.182 2.538 1.00 0.26 C ATOM 1173 O ALA A 81 3.048 11.366 3.008 1.00 0.23 O ATOM 1174 CB ALA A 81 2.028 14.548 3.318 1.00 0.39 C ATOM 0 H ALA A 81 2.038 13.333 5.463 1.00 0.29 H new ATOM 0 HA ALA A 81 0.443 13.123 3.138 1.00 0.31 H new ATOM 0 HB1 ALA A 81 1.979 14.861 2.275 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.429 15.225 3.928 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.064 14.575 3.656 1.00 0.39 H new ATOM 1180 N GLN A 82 2.019 12.300 1.235 1.00 0.33 N ATOM 1181 CA GLN A 82 2.680 11.446 0.253 1.00 0.35 C ATOM 1182 C GLN A 82 4.195 11.450 0.443 1.00 0.31 C ATOM 1183 O GLN A 82 4.810 10.396 0.606 1.00 0.31 O ATOM 1184 CB GLN A 82 2.334 11.907 -1.166 1.00 0.42 C ATOM 1185 CG GLN A 82 3.017 11.093 -2.255 1.00 0.51 C ATOM 1186 CD GLN A 82 2.627 11.539 -3.650 1.00 0.76 C ATOM 1187 OE1 GLN A 82 3.267 12.410 -4.238 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.571 10.940 -4.187 1.00 0.74 N ATOM 0 H GLN A 82 1.373 12.980 0.834 1.00 0.33 H new ATOM 0 HA GLN A 82 2.321 10.428 0.401 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.254 11.850 -1.304 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.614 12.954 -1.277 1.00 0.42 H new ATOM 0 HG2 GLN A 82 4.098 11.175 -2.141 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.762 10.041 -2.130 1.00 0.51 H new ATOM 0 HE21 GLN A 82 1.070 10.223 -3.663 1.00 0.74 H new ATOM 0 HE22 GLN A 82 1.261 11.197 -5.124 1.00 0.74 H new ATOM 1197 N SER A 83 4.786 12.642 0.425 1.00 0.32 N ATOM 1198 CA SER A 83 6.230 12.791 0.585 1.00 0.35 C ATOM 1199 C SER A 83 6.741 12.031 1.807 1.00 0.30 C ATOM 1200 O SER A 83 7.781 11.374 1.749 1.00 0.35 O ATOM 1201 CB SER A 83 6.598 14.271 0.700 1.00 0.44 C ATOM 1202 OG SER A 83 6.189 14.990 -0.450 1.00 1.48 O ATOM 0 H SER A 83 4.285 13.522 0.301 1.00 0.32 H new ATOM 0 HA SER A 83 6.707 12.367 -0.298 1.00 0.35 H new ATOM 0 HB2 SER A 83 6.128 14.698 1.586 1.00 0.44 H new ATOM 0 HB3 SER A 83 7.675 14.372 0.831 1.00 0.44 H new ATOM 0 HG SER A 83 6.434 15.934 -0.350 1.00 1.48 H new ATOM 1208 N ASP A 84 6.006 12.124 2.910 1.00 0.24 N ATOM 1209 CA ASP A 84 6.392 11.448 4.145 1.00 0.24 C ATOM 1210 C ASP A 84 6.448 9.936 3.949 1.00 0.20 C ATOM 1211 O ASP A 84 7.427 9.287 4.319 1.00 0.24 O ATOM 1212 CB ASP A 84 5.411 11.789 5.268 1.00 0.27 C ATOM 1213 CG ASP A 84 5.409 13.266 5.607 1.00 1.03 C ATOM 1214 OD1 ASP A 84 6.313 13.706 6.350 1.00 0.97 O ATOM 1215 OD2 ASP A 84 4.506 13.985 5.131 1.00 2.12 O ATOM 0 H ASP A 84 5.141 12.660 2.975 1.00 0.24 H new ATOM 0 HA ASP A 84 7.387 11.797 4.420 1.00 0.24 H new ATOM 0 HB2 ASP A 84 4.406 11.486 4.973 1.00 0.27 H new ATOM 0 HB3 ASP A 84 5.669 11.215 6.158 1.00 0.27 H new ATOM 1220 N VAL A 85 5.391 9.382 3.363 1.00 0.19 N ATOM 1221 CA VAL A 85 5.313 7.945 3.123 1.00 0.22 C ATOM 1222 C VAL A 85 6.445 7.473 2.215 1.00 0.21 C ATOM 1223 O VAL A 85 6.942 6.355 2.358 1.00 0.24 O ATOM 1224 CB VAL A 85 3.962 7.556 2.494 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.835 6.044 2.382 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.810 8.133 3.304 1.00 0.30 C ATOM 0 H VAL A 85 4.576 9.907 3.045 1.00 0.19 H new ATOM 0 HA VAL A 85 5.408 7.456 4.093 1.00 0.22 H new ATOM 0 HB VAL A 85 3.919 7.976 1.489 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.873 5.792 1.935 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.639 5.657 1.756 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.902 5.599 3.375 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.864 7.848 2.845 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.851 7.745 4.322 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.890 9.220 3.326 1.00 0.30 H new ATOM 1236 N VAL A 86 6.849 8.331 1.283 1.00 0.22 N ATOM 1237 CA VAL A 86 7.925 7.996 0.355 1.00 0.25 C ATOM 1238 C VAL A 86 9.261 7.883 1.085 1.00 0.24 C ATOM 1239 O VAL A 86 10.034 6.960 0.837 1.00 0.26 O ATOM 1240 CB VAL A 86 8.046 9.040 -0.773 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.206 8.701 -1.699 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.746 9.132 -1.557 1.00 0.34 C ATOM 0 H VAL A 86 6.450 9.260 1.150 1.00 0.22 H new ATOM 0 HA VAL A 86 7.674 7.032 -0.088 1.00 0.25 H new ATOM 0 HB VAL A 86 8.244 10.011 -0.319 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.273 9.451 -2.488 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.135 8.690 -1.129 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.041 7.720 -2.144 1.00 0.37 H new ATOM 0 HG21 VAL A 86 6.850 9.874 -2.349 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.517 8.161 -1.997 1.00 0.34 H new ATOM 0 HG23 VAL A 86 5.938 9.427 -0.888 1.00 0.34 H new ATOM 1252 N GLU A 87 9.524 8.827 1.986 1.00 0.25 N ATOM 1253 CA GLU A 87 10.766 8.825 2.754 1.00 0.26 C ATOM 1254 C GLU A 87 10.924 7.515 3.516 1.00 0.24 C ATOM 1255 O GLU A 87 11.997 6.911 3.516 1.00 0.26 O ATOM 1256 CB GLU A 87 10.795 10.003 3.729 1.00 0.32 C ATOM 1257 CG GLU A 87 10.841 11.359 3.046 1.00 0.75 C ATOM 1258 CD GLU A 87 10.833 12.510 4.033 1.00 1.04 C ATOM 1259 OE1 GLU A 87 11.905 12.815 4.598 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.755 13.104 4.242 1.00 1.51 O ATOM 0 H GLU A 87 8.895 9.601 2.202 1.00 0.25 H new ATOM 0 HA GLU A 87 11.597 8.926 2.056 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.912 9.957 4.367 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.664 9.904 4.379 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.737 11.421 2.429 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.986 11.454 2.376 1.00 0.75 H new ATOM 1267 N VAL A 88 9.847 7.083 4.166 1.00 0.22 N ATOM 1268 CA VAL A 88 9.860 5.839 4.927 1.00 0.22 C ATOM 1269 C VAL A 88 10.280 4.668 4.047 1.00 0.23 C ATOM 1270 O VAL A 88 11.194 3.916 4.388 1.00 0.25 O ATOM 1271 CB VAL A 88 8.474 5.536 5.533 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.428 4.122 6.098 1.00 0.26 C ATOM 1273 CG2 VAL A 88 8.129 6.558 6.606 1.00 0.27 C ATOM 0 H VAL A 88 8.954 7.577 4.181 1.00 0.22 H new ATOM 0 HA VAL A 88 10.582 5.967 5.734 1.00 0.22 H new ATOM 0 HB VAL A 88 7.730 5.606 4.740 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.441 3.931 6.520 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.627 3.405 5.301 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.183 4.017 6.878 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.148 6.330 7.024 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.878 6.522 7.397 1.00 0.27 H new ATOM 0 HG23 VAL A 88 8.114 7.556 6.167 1.00 0.27 H new ATOM 1283 N LEU A 89 9.604 4.523 2.914 1.00 0.24 N ATOM 1284 CA LEU A 89 9.899 3.443 1.985 1.00 0.28 C ATOM 1285 C LEU A 89 11.331 3.546 1.465 1.00 0.32 C ATOM 1286 O LEU A 89 11.931 2.546 1.069 1.00 0.39 O ATOM 1287 CB LEU A 89 8.913 3.467 0.817 1.00 0.32 C ATOM 1288 CG LEU A 89 7.441 3.299 1.205 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.542 3.524 0.000 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.199 1.919 1.800 1.00 0.35 C ATOM 0 H LEU A 89 8.848 5.140 2.618 1.00 0.24 H new ATOM 0 HA LEU A 89 9.796 2.498 2.518 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.027 4.412 0.285 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.181 2.674 0.119 1.00 0.32 H new ATOM 0 HG LEU A 89 7.198 4.047 1.960 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.500 3.400 0.295 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.693 4.533 -0.383 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.787 2.800 -0.777 1.00 0.41 H new ATOM 0 HD21 LEU A 89 6.148 1.818 2.070 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.460 1.156 1.067 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.815 1.793 2.690 1.00 0.35 H new ATOM 1302 N ARG A 90 11.870 4.762 1.466 1.00 0.31 N ATOM 1303 CA ARG A 90 13.233 4.997 0.995 1.00 0.37 C ATOM 1304 C ARG A 90 14.243 4.816 2.123 1.00 0.37 C ATOM 1305 O ARG A 90 15.450 4.770 1.885 1.00 0.48 O ATOM 1306 CB ARG A 90 13.358 6.402 0.403 1.00 0.41 C ATOM 1307 CG ARG A 90 12.620 6.575 -0.914 1.00 0.49 C ATOM 1308 CD ARG A 90 12.915 7.927 -1.541 1.00 0.72 C ATOM 1309 NE ARG A 90 12.510 9.032 -0.677 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.924 10.285 -0.838 1.00 1.59 C ATOM 1311 NH1 ARG A 90 13.759 10.591 -1.823 1.00 1.82 N ATOM 1312 NH2 ARG A 90 12.505 11.234 -0.012 1.00 2.10 N ATOM 0 H ARG A 90 11.385 5.600 1.787 1.00 0.31 H new ATOM 0 HA ARG A 90 13.450 4.263 0.219 1.00 0.37 H new ATOM 0 HB2 ARG A 90 12.975 7.126 1.122 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.413 6.631 0.252 1.00 0.41 H new ATOM 0 HG2 ARG A 90 12.911 5.782 -1.603 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.547 6.476 -0.748 1.00 0.49 H new ATOM 0 HD2 ARG A 90 13.982 8.004 -1.751 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.395 8.005 -2.496 1.00 0.72 H new ATOM 0 HE ARG A 90 11.873 8.831 0.094 1.00 1.00 H new ATOM 0 HH11 ARG A 90 14.085 9.864 -2.460 1.00 1.82 H new ATOM 0 HH12 ARG A 90 14.075 11.553 -1.944 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.865 11.003 0.748 1.00 2.10 H new ATOM 0 HH22 ARG A 90 12.823 12.195 -0.136 1.00 2.10 H new ATOM 1326 N ASN A 91 13.744 4.725 3.352 1.00 0.32 N ATOM 1327 CA ASN A 91 14.606 4.542 4.516 1.00 0.36 C ATOM 1328 C ASN A 91 14.634 3.077 4.938 1.00 0.36 C ATOM 1329 O ASN A 91 15.469 2.668 5.745 1.00 0.42 O ATOM 1330 CB ASN A 91 14.126 5.412 5.679 1.00 0.38 C ATOM 1331 CG ASN A 91 14.498 6.874 5.509 1.00 0.44 C ATOM 1332 OD1 ASN A 91 14.590 7.327 4.263 1.00 1.11 O flip ATOM 1333 ND2 ASN A 91 14.700 7.591 6.489 1.00 1.14 N flip ATOM 0 H ASN A 91 12.748 4.775 3.568 1.00 0.32 H new ATOM 0 HA ASN A 91 15.616 4.846 4.243 1.00 0.36 H new ATOM 0 HB2 ASN A 91 13.043 5.325 5.770 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.555 5.038 6.609 1.00 0.38 H new ATOM 0 HD21 ASN A 91 14.619 7.204 7.429 1.00 1.14 H new ATOM 0 HD22 ASN A 91 14.948 8.572 6.361 1.00 1.14 H new ATOM 1340 N ALA A 92 13.712 2.293 4.385 1.00 0.32 N ATOM 1341 CA ALA A 92 13.624 0.871 4.698 1.00 0.34 C ATOM 1342 C ALA A 92 14.935 0.149 4.390 1.00 0.46 C ATOM 1343 O ALA A 92 15.784 -0.010 5.268 1.00 0.55 O ATOM 1344 CB ALA A 92 12.473 0.236 3.933 1.00 0.32 C ATOM 0 H ALA A 92 13.014 2.620 3.717 1.00 0.32 H new ATOM 0 HA ALA A 92 13.436 0.772 5.767 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.417 -0.825 4.175 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.538 0.722 4.213 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.638 0.356 2.862 1.00 0.32 H new ATOM 1350 N GLY A 93 15.097 -0.284 3.142 1.00 0.53 N ATOM 1351 CA GLY A 93 16.310 -0.986 2.753 1.00 0.68 C ATOM 1352 C GLY A 93 16.496 -2.279 3.522 1.00 0.66 C ATOM 1353 O GLY A 93 17.611 -2.789 3.637 1.00 0.76 O ATOM 0 H GLY A 93 14.413 -0.162 2.395 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.276 -1.202 1.685 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.171 -0.339 2.920 1.00 0.68 H new ATOM 1357 N ASN A 94 15.397 -2.804 4.052 1.00 0.54 N ATOM 1358 CA ASN A 94 15.427 -4.040 4.827 1.00 0.54 C ATOM 1359 C ASN A 94 14.127 -4.827 4.636 1.00 0.43 C ATOM 1360 O ASN A 94 13.224 -4.359 3.945 1.00 0.39 O ATOM 1361 CB ASN A 94 15.648 -3.694 6.304 1.00 0.59 C ATOM 1362 CG ASN A 94 17.113 -3.467 6.620 1.00 1.57 C ATOM 1363 OD1 ASN A 94 17.985 -4.184 5.918 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 17.458 -2.661 7.484 1.00 2.52 N flip ATOM 0 H ASN A 94 14.469 -2.391 3.959 1.00 0.54 H new ATOM 0 HA ASN A 94 16.245 -4.671 4.480 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.080 -2.799 6.556 1.00 0.59 H new ATOM 0 HB3 ASN A 94 15.263 -4.501 6.927 1.00 0.59 H new ATOM 0 HD21 ASN A 94 16.754 -2.132 7.998 1.00 2.52 H new ATOM 0 HD22 ASN A 94 18.448 -2.522 7.686 1.00 2.52 H new ATOM 1371 N PRO A 95 14.027 -6.058 5.195 1.00 0.41 N ATOM 1372 CA PRO A 95 12.802 -6.865 5.094 1.00 0.35 C ATOM 1373 C PRO A 95 11.638 -6.234 5.851 1.00 0.32 C ATOM 1374 O PRO A 95 11.337 -6.615 6.983 1.00 0.45 O ATOM 1375 CB PRO A 95 13.191 -8.205 5.725 1.00 0.44 C ATOM 1376 CG PRO A 95 14.350 -7.889 6.605 1.00 0.64 C ATOM 1377 CD PRO A 95 15.095 -6.784 5.916 1.00 0.51 C ATOM 0 HA PRO A 95 12.460 -6.957 4.063 1.00 0.35 H new ATOM 0 HB2 PRO A 95 12.365 -8.628 6.296 1.00 0.44 H new ATOM 0 HB3 PRO A 95 13.460 -8.937 4.964 1.00 0.44 H new ATOM 0 HG2 PRO A 95 14.016 -7.578 7.595 1.00 0.64 H new ATOM 0 HG3 PRO A 95 14.986 -8.763 6.743 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.610 -6.140 6.629 1.00 0.51 H new ATOM 0 HD3 PRO A 95 15.851 -7.172 5.233 1.00 0.51 H new ATOM 1385 N VAL A 96 10.986 -5.267 5.214 1.00 0.28 N ATOM 1386 CA VAL A 96 9.857 -4.572 5.817 1.00 0.33 C ATOM 1387 C VAL A 96 8.534 -5.249 5.470 1.00 0.28 C ATOM 1388 O VAL A 96 8.415 -5.920 4.446 1.00 0.30 O ATOM 1389 CB VAL A 96 9.797 -3.100 5.362 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.985 -2.323 5.905 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.744 -3.010 3.842 1.00 0.38 C ATOM 0 H VAL A 96 11.223 -4.946 4.275 1.00 0.28 H new ATOM 0 HA VAL A 96 10.008 -4.611 6.896 1.00 0.33 H new ATOM 0 HB VAL A 96 8.886 -2.655 5.762 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.924 -1.287 5.573 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.974 -2.356 6.994 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.910 -2.768 5.538 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.702 -1.963 3.541 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.635 -3.474 3.419 1.00 0.38 H new ATOM 0 HG23 VAL A 96 8.857 -3.528 3.478 1.00 0.38 H new ATOM 1401 N ARG A 97 7.544 -5.064 6.339 1.00 0.24 N ATOM 1402 CA ARG A 97 6.223 -5.639 6.136 1.00 0.22 C ATOM 1403 C ARG A 97 5.311 -4.628 5.454 1.00 0.18 C ATOM 1404 O ARG A 97 5.395 -3.426 5.718 1.00 0.18 O ATOM 1405 CB ARG A 97 5.617 -6.072 7.474 1.00 0.27 C ATOM 1406 CG ARG A 97 4.262 -6.746 7.336 1.00 0.69 C ATOM 1407 CD ARG A 97 3.673 -7.099 8.694 1.00 0.71 C ATOM 1408 NE ARG A 97 2.372 -7.752 8.572 1.00 1.21 N ATOM 1409 CZ ARG A 97 1.564 -7.984 9.602 1.00 1.38 C ATOM 1410 NH1 ARG A 97 1.922 -7.618 10.826 1.00 0.88 N ATOM 1411 NH2 ARG A 97 0.397 -8.583 9.408 1.00 2.37 N ATOM 0 H ARG A 97 7.636 -4.516 7.195 1.00 0.24 H new ATOM 0 HA ARG A 97 6.321 -6.517 5.497 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.305 -6.756 7.971 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.515 -5.198 8.118 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.579 -6.085 6.803 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.364 -7.651 6.736 1.00 0.69 H new ATOM 0 HD2 ARG A 97 4.360 -7.756 9.228 1.00 0.71 H new ATOM 0 HD3 ARG A 97 3.570 -6.193 9.291 1.00 0.71 H new ATOM 0 HE ARG A 97 2.066 -8.047 7.645 1.00 1.21 H new ATOM 0 HH11 ARG A 97 2.819 -7.157 10.979 1.00 0.88 H new ATOM 0 HH12 ARG A 97 1.300 -7.797 11.614 1.00 0.88 H new ATOM 0 HH21 ARG A 97 0.119 -8.866 8.468 1.00 2.37 H new ATOM 0 HH22 ARG A 97 -0.223 -8.761 10.198 1.00 2.37 H new ATOM 1425 N LEU A 98 4.440 -5.119 4.582 1.00 0.19 N ATOM 1426 CA LEU A 98 3.521 -4.258 3.854 1.00 0.18 C ATOM 1427 C LEU A 98 2.072 -4.606 4.180 1.00 0.18 C ATOM 1428 O LEU A 98 1.542 -5.606 3.693 1.00 0.30 O ATOM 1429 CB LEU A 98 3.765 -4.399 2.352 1.00 0.23 C ATOM 1430 CG LEU A 98 5.215 -4.198 1.904 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.394 -4.653 0.463 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.624 -2.741 2.054 1.00 0.37 C ATOM 0 H LEU A 98 4.352 -6.111 4.362 1.00 0.19 H new ATOM 0 HA LEU A 98 3.700 -3.227 4.158 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.439 -5.391 2.039 1.00 0.23 H new ATOM 0 HB3 LEU A 98 3.137 -3.678 1.829 1.00 0.23 H new ATOM 0 HG LEU A 98 5.859 -4.804 2.542 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.430 -4.503 0.160 1.00 0.30 H new ATOM 0 HD12 LEU A 98 5.141 -5.710 0.381 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.739 -4.072 -0.186 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.658 -2.618 1.731 1.00 0.37 H new ATOM 0 HD22 LEU A 98 4.975 -2.116 1.441 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.533 -2.443 3.099 1.00 0.37 H new ATOM 1444 N LEU A 99 1.435 -3.780 5.004 1.00 0.18 N ATOM 1445 CA LEU A 99 0.045 -4.012 5.382 1.00 0.19 C ATOM 1446 C LEU A 99 -0.891 -3.115 4.579 1.00 0.19 C ATOM 1447 O LEU A 99 -1.001 -1.918 4.842 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.152 -3.768 6.880 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.492 -4.249 7.443 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.613 -5.760 7.317 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.647 -3.821 8.894 1.00 0.36 C ATOM 0 H LEU A 99 1.856 -2.949 5.420 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.196 -5.052 5.161 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.652 -4.265 7.423 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.056 -2.700 7.075 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.292 -3.790 6.862 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.572 -6.083 7.722 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.549 -6.044 6.267 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -0.805 -6.237 7.872 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.605 -4.172 9.276 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -0.840 -4.250 9.488 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.607 -2.734 8.959 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.564 -3.706 3.597 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.490 -2.969 2.746 1.00 0.23 C ATOM 1465 C LEU A 100 -3.780 -3.754 2.540 1.00 0.24 C ATOM 1466 O LEU A 100 -3.857 -4.935 2.874 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.833 -2.663 1.396 1.00 0.25 C ATOM 1468 CG LEU A 100 -0.852 -3.725 0.890 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.578 -5.022 0.568 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.101 -3.214 -0.331 1.00 0.31 C ATOM 0 H LEU A 100 -1.484 -4.697 3.371 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.739 -2.030 3.241 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.617 -2.532 0.650 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.305 -1.712 1.474 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.130 -3.929 1.681 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -0.861 -5.761 0.211 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.069 -5.397 1.466 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.325 -4.839 -0.204 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.592 -3.980 -0.679 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -0.812 -2.981 -1.124 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.455 -2.315 -0.066 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.794 -3.092 1.992 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.076 -3.741 1.748 1.00 0.29 C ATOM 1484 C ILE A 101 -6.366 -3.851 0.253 1.00 0.32 C ATOM 1485 O ILE A 101 -6.174 -2.894 -0.505 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.233 -2.997 2.448 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.545 -3.764 2.267 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.359 -1.580 1.910 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.680 -3.237 3.118 1.00 0.45 C ATOM 0 H ILE A 101 -4.753 -2.113 1.710 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.006 -4.744 2.168 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.014 -2.938 3.514 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -8.839 -3.721 1.218 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.378 -4.814 2.509 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.180 -1.071 2.415 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.430 -1.039 2.090 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.557 -1.614 0.839 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.577 -3.830 2.936 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.407 -3.305 4.171 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.875 -2.196 2.860 1.00 0.45 H new ATOM 1501 N ARG A 102 -6.823 -5.030 -0.158 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.148 -5.297 -1.555 1.00 0.46 C ATOM 1503 C ARG A 102 -8.640 -5.567 -1.719 1.00 0.60 C ATOM 1504 O ARG A 102 -9.278 -6.137 -0.832 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.345 -6.495 -2.063 1.00 0.70 C ATOM 1506 CG ARG A 102 -4.869 -6.199 -2.274 1.00 1.27 C ATOM 1507 CD ARG A 102 -4.639 -5.420 -3.558 1.00 1.35 C ATOM 1508 NE ARG A 102 -5.103 -6.157 -4.731 1.00 1.49 N ATOM 1509 CZ ARG A 102 -5.648 -5.580 -5.798 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -5.790 -4.263 -5.848 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -6.051 -6.323 -6.821 1.00 2.20 N ATOM 0 H ARG A 102 -6.978 -5.823 0.464 1.00 0.39 H new ATOM 0 HA ARG A 102 -6.887 -4.416 -2.142 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -6.444 -7.315 -1.351 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -6.776 -6.837 -3.004 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -4.486 -5.630 -1.427 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -4.310 -7.134 -2.309 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -5.159 -4.464 -3.501 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -3.577 -5.200 -3.664 1.00 1.35 H new ATOM 0 HE ARG A 102 -5.003 -7.172 -4.732 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -5.481 -3.687 -5.065 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -6.209 -3.826 -6.669 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -5.943 -7.337 -6.789 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -6.469 -5.880 -7.639 1.00 2.20 H new ATOM 1525 N ARG A 103 -9.192 -5.157 -2.855 1.00 0.73 N ATOM 1526 CA ARG A 103 -10.610 -5.356 -3.129 1.00 1.00 C ATOM 1527 C ARG A 103 -10.835 -6.595 -3.991 1.00 1.16 C ATOM 1528 O ARG A 103 -10.273 -6.716 -5.080 1.00 1.23 O ATOM 1529 CB ARG A 103 -11.193 -4.125 -3.826 1.00 1.28 C ATOM 1530 CG ARG A 103 -10.966 -2.830 -3.062 1.00 2.01 C ATOM 1531 CD ARG A 103 -11.563 -1.641 -3.797 1.00 2.24 C ATOM 1532 NE ARG A 103 -11.298 -0.383 -3.106 1.00 2.73 N ATOM 1533 CZ ARG A 103 -11.732 0.799 -3.536 1.00 3.09 C ATOM 1534 NH1 ARG A 103 -12.451 0.881 -4.648 1.00 2.90 N ATOM 1535 NH2 ARG A 103 -11.447 1.900 -2.853 1.00 3.93 N ATOM 0 H ARG A 103 -8.680 -4.685 -3.600 1.00 0.73 H new ATOM 0 HA ARG A 103 -11.118 -5.504 -2.176 1.00 1.00 H new ATOM 0 HB2 ARG A 103 -10.750 -4.035 -4.818 1.00 1.28 H new ATOM 0 HB3 ARG A 103 -12.264 -4.271 -3.968 1.00 1.28 H new ATOM 0 HG2 ARG A 103 -11.412 -2.908 -2.070 1.00 2.01 H new ATOM 0 HG3 ARG A 103 -9.897 -2.672 -2.920 1.00 2.01 H new ATOM 0 HD2 ARG A 103 -11.152 -1.594 -4.806 1.00 2.24 H new ATOM 0 HD3 ARG A 103 -12.639 -1.780 -3.897 1.00 2.24 H new ATOM 0 HE ARG A 103 -10.750 -0.412 -2.246 1.00 2.73 H new ATOM 0 HH11 ARG A 103 -12.672 0.037 -5.176 1.00 2.90 H new ATOM 0 HH12 ARG A 103 -12.782 1.788 -4.975 1.00 2.90 H new ATOM 0 HH21 ARG A 103 -10.895 1.841 -1.997 1.00 3.93 H new ATOM 0 HH22 ARG A 103 -11.780 2.806 -3.183 1.00 3.93 H new ATOM 1549 N LEU A 104 -11.661 -7.511 -3.495 1.00 1.32 N ATOM 1550 CA LEU A 104 -11.965 -8.743 -4.217 1.00 1.57 C ATOM 1551 C LEU A 104 -13.252 -8.591 -5.030 1.00 1.89 C ATOM 1552 O LEU A 104 -14.201 -7.949 -4.582 1.00 2.00 O ATOM 1553 CB LEU A 104 -12.104 -9.911 -3.238 1.00 1.68 C ATOM 1554 CG LEU A 104 -10.901 -10.142 -2.320 1.00 1.43 C ATOM 1555 CD1 LEU A 104 -11.201 -11.241 -1.313 1.00 1.46 C ATOM 1556 CD2 LEU A 104 -9.664 -10.490 -3.137 1.00 1.55 C ATOM 0 H LEU A 104 -12.133 -7.424 -2.595 1.00 1.32 H new ATOM 0 HA LEU A 104 -11.142 -8.948 -4.902 1.00 1.57 H new ATOM 0 HB2 LEU A 104 -12.985 -9.742 -2.619 1.00 1.68 H new ATOM 0 HB3 LEU A 104 -12.285 -10.822 -3.808 1.00 1.68 H new ATOM 0 HG LEU A 104 -10.704 -9.220 -1.774 1.00 1.43 H new ATOM 0 HD11 LEU A 104 -10.334 -11.391 -0.669 1.00 1.46 H new ATOM 0 HD12 LEU A 104 -12.059 -10.953 -0.705 1.00 1.46 H new ATOM 0 HD13 LEU A 104 -11.425 -12.168 -1.842 1.00 1.46 H new ATOM 0 HD21 LEU A 104 -8.819 -10.651 -2.467 1.00 1.55 H new ATOM 0 HD22 LEU A 104 -9.850 -11.398 -3.710 1.00 1.55 H new ATOM 0 HD23 LEU A 104 -9.436 -9.671 -3.819 1.00 1.55 H new ATOM 1568 N PRO A 105 -13.301 -9.182 -6.242 1.00 2.13 N ATOM 1569 CA PRO A 105 -14.478 -9.106 -7.107 1.00 2.48 C ATOM 1570 C PRO A 105 -15.543 -10.133 -6.737 1.00 2.69 C ATOM 1571 O PRO A 105 -15.278 -11.072 -5.986 1.00 2.98 O ATOM 1572 CB PRO A 105 -13.901 -9.408 -8.487 1.00 2.64 C ATOM 1573 CG PRO A 105 -12.764 -10.334 -8.222 1.00 2.51 C ATOM 1574 CD PRO A 105 -12.215 -9.965 -6.866 1.00 2.16 C ATOM 0 HA PRO A 105 -14.983 -8.143 -7.034 1.00 2.48 H new ATOM 0 HB2 PRO A 105 -14.645 -9.869 -9.136 1.00 2.64 H new ATOM 0 HB3 PRO A 105 -13.564 -8.498 -8.984 1.00 2.64 H new ATOM 0 HG2 PRO A 105 -13.098 -11.371 -8.236 1.00 2.51 H new ATOM 0 HG3 PRO A 105 -11.997 -10.236 -8.990 1.00 2.51 H new ATOM 0 HD2 PRO A 105 -11.973 -10.851 -6.279 1.00 2.16 H new ATOM 0 HD3 PRO A 105 -11.299 -9.380 -6.952 1.00 2.16 H new ATOM 1582 N LEU A 106 -16.747 -9.947 -7.270 1.00 2.81 N ATOM 1583 CA LEU A 106 -17.854 -10.857 -6.999 1.00 3.01 C ATOM 1584 C LEU A 106 -18.593 -11.210 -8.285 1.00 3.44 C ATOM 1585 O LEU A 106 -18.580 -10.447 -9.251 1.00 3.67 O ATOM 1586 CB LEU A 106 -18.825 -10.228 -5.996 1.00 2.96 C ATOM 1587 CG LEU A 106 -18.227 -9.899 -4.625 1.00 2.78 C ATOM 1588 CD1 LEU A 106 -19.240 -9.156 -3.767 1.00 2.74 C ATOM 1589 CD2 LEU A 106 -17.767 -11.169 -3.923 1.00 3.01 C ATOM 0 H LEU A 106 -16.981 -9.173 -7.893 1.00 2.81 H new ATOM 0 HA LEU A 106 -17.444 -11.772 -6.572 1.00 3.01 H new ATOM 0 HB2 LEU A 106 -19.226 -9.311 -6.429 1.00 2.96 H new ATOM 0 HB3 LEU A 106 -19.666 -10.907 -5.854 1.00 2.96 H new ATOM 0 HG LEU A 106 -17.361 -9.255 -4.774 1.00 2.78 H new ATOM 0 HD11 LEU A 106 -18.799 -8.930 -2.796 1.00 2.74 H new ATOM 0 HD12 LEU A 106 -19.524 -8.227 -4.262 1.00 2.74 H new ATOM 0 HD13 LEU A 106 -20.124 -9.778 -3.628 1.00 2.74 H new ATOM 0 HD21 LEU A 106 -17.345 -10.915 -2.951 1.00 3.01 H new ATOM 0 HD22 LEU A 106 -18.617 -11.837 -3.786 1.00 3.01 H new ATOM 0 HD23 LEU A 106 -17.009 -11.665 -4.529 1.00 3.01 H new ATOM 1601 N LEU A 107 -19.236 -12.374 -8.290 1.00 3.72 N ATOM 1602 CA LEU A 107 -19.983 -12.832 -9.456 1.00 4.24 C ATOM 1603 C LEU A 107 -21.476 -12.566 -9.288 1.00 4.27 C ATOM 1604 O LEU A 107 -22.035 -12.772 -8.211 1.00 4.13 O ATOM 1605 CB LEU A 107 -19.744 -14.328 -9.694 1.00 4.67 C ATOM 1606 CG LEU A 107 -18.473 -14.679 -10.473 1.00 4.91 C ATOM 1607 CD1 LEU A 107 -18.561 -14.145 -11.894 1.00 5.59 C ATOM 1608 CD2 LEU A 107 -17.237 -14.136 -9.769 1.00 4.58 C ATOM 0 H LEU A 107 -19.254 -13.017 -7.499 1.00 3.72 H new ATOM 0 HA LEU A 107 -19.627 -12.273 -10.321 1.00 4.24 H new ATOM 0 HB2 LEU A 107 -19.706 -14.830 -8.727 1.00 4.67 H new ATOM 0 HB3 LEU A 107 -20.601 -14.734 -10.231 1.00 4.67 H new ATOM 0 HG LEU A 107 -18.385 -15.765 -10.515 1.00 4.91 H new ATOM 0 HD11 LEU A 107 -17.651 -14.402 -12.436 1.00 5.59 H new ATOM 0 HD12 LEU A 107 -19.420 -14.589 -12.397 1.00 5.59 H new ATOM 0 HD13 LEU A 107 -18.675 -13.061 -11.869 1.00 5.59 H new ATOM 0 HD21 LEU A 107 -16.347 -14.398 -10.342 1.00 4.58 H new ATOM 0 HD22 LEU A 107 -17.311 -13.051 -9.689 1.00 4.58 H new ATOM 0 HD23 LEU A 107 -17.167 -14.569 -8.771 1.00 4.58 H new ATOM 1620 N GLU A 108 -22.113 -12.108 -10.361 1.00 4.57 N ATOM 1621 CA GLU A 108 -23.542 -11.812 -10.334 1.00 4.71 C ATOM 1622 C GLU A 108 -24.201 -12.203 -11.654 1.00 5.10 C ATOM 1623 O GLU A 108 -24.727 -13.332 -11.741 1.00 5.66 O ATOM 1624 CB GLU A 108 -23.769 -10.326 -10.053 1.00 5.08 C ATOM 1625 CG GLU A 108 -25.235 -9.947 -9.917 1.00 5.36 C ATOM 1626 CD GLU A 108 -25.431 -8.476 -9.608 1.00 5.66 C ATOM 1627 OE1 GLU A 108 -25.400 -8.112 -8.414 1.00 5.89 O ATOM 1628 OE2 GLU A 108 -25.614 -7.689 -10.560 1.00 6.00 O ATOM 1629 OXT GLU A 108 -24.184 -11.376 -12.590 1.00 5.19 O ATOM 0 H GLU A 108 -21.663 -11.934 -11.260 1.00 4.57 H new ATOM 0 HA GLU A 108 -23.997 -12.397 -9.535 1.00 4.71 H new ATOM 0 HB2 GLU A 108 -23.246 -10.055 -9.136 1.00 5.08 H new ATOM 0 HB3 GLU A 108 -23.325 -9.741 -10.858 1.00 5.08 H new ATOM 0 HG2 GLU A 108 -25.757 -10.193 -10.842 1.00 5.36 H new ATOM 0 HG3 GLU A 108 -25.689 -10.544 -9.126 1.00 5.36 H new TER 1636 GLU A 108