USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 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 30 SER OG : rot -142:sc= 0.184 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= -0.128 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) 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 43:sc= 0.749 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 180:sc= -0.134 USER MOD Single : A 15 SER OG : rot 37:sc= 0.167 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 67:sc= 0.0925 USER MOD Single : A 32 SER OG : rot -140:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN :FLIP amide:sc=-0.00139 F(o=-1,f=-0.0014) USER MOD Single : A 38 SER OG : rot 180:sc= -0.137 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -25:sc= 1.15 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= -0.0167 (180deg=-0.203) USER MOD Single : A 55 SER OG : rot -89:sc= -0.337! USER MOD Single : A 66 ASN : amide:sc= -0.437 K(o=-0.44,f=-1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0333 X(o=-0.033,f=-0.071) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.626 F(o=-2.3,f=-0.63) USER MOD Single : A 80 MET CE :methyl -129:sc= -1.89 (180deg=-4.88!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.823 K(o=-0.82,f=-1.7) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.232 F(o=-2.4!,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.195 -18.137 9.473 1.00 7.92 N ATOM 2 CA GLY A 1 -5.516 -18.015 8.796 1.00 7.68 C ATOM 3 C GLY A 1 -6.203 -16.695 9.092 1.00 6.86 C ATOM 4 O GLY A 1 -6.189 -15.782 8.266 1.00 7.03 O ATOM 0 H1 GLY A 1 -3.768 -19.056 9.238 1.00 7.92 H new ATOM 0 H2 GLY A 1 -3.568 -17.372 9.152 1.00 7.92 H new ATOM 0 H3 GLY A 1 -4.325 -18.069 10.503 1.00 7.92 H new ATOM 0 HA2 GLY A 1 -5.379 -18.116 7.719 1.00 7.68 H new ATOM 0 HA3 GLY A 1 -6.160 -18.835 9.114 1.00 7.68 H new ATOM 10 N SER A 2 -6.805 -16.595 10.273 1.00 6.24 N ATOM 11 CA SER A 2 -7.505 -15.381 10.675 1.00 5.73 C ATOM 12 C SER A 2 -6.558 -14.401 11.359 1.00 4.62 C ATOM 13 O SER A 2 -5.629 -14.805 12.059 1.00 4.63 O ATOM 14 CB SER A 2 -8.666 -15.725 11.610 1.00 6.38 C ATOM 15 OG SER A 2 -9.590 -16.593 10.979 1.00 7.18 O ATOM 0 H SER A 2 -6.822 -17.341 10.968 1.00 6.24 H new ATOM 0 HA SER A 2 -7.897 -14.905 9.776 1.00 5.73 H new ATOM 0 HB2 SER A 2 -8.281 -16.195 12.515 1.00 6.38 H new ATOM 0 HB3 SER A 2 -9.173 -14.810 11.917 1.00 6.38 H new ATOM 0 HG SER A 2 -10.321 -16.799 11.598 1.00 7.18 H new ATOM 21 N HIS A 3 -6.802 -13.110 11.149 1.00 4.05 N ATOM 22 CA HIS A 3 -5.976 -12.067 11.746 1.00 3.23 C ATOM 23 C HIS A 3 -6.807 -10.816 12.020 1.00 2.51 C ATOM 24 O HIS A 3 -6.472 -10.016 12.894 1.00 2.56 O ATOM 25 CB HIS A 3 -4.802 -11.725 10.827 1.00 3.35 C ATOM 26 CG HIS A 3 -3.836 -10.749 11.425 1.00 4.25 C ATOM 27 ND1 HIS A 3 -3.792 -9.418 11.067 1.00 4.88 N ATOM 28 CD2 HIS A 3 -2.872 -10.916 12.363 1.00 5.02 C ATOM 29 CE1 HIS A 3 -2.844 -8.809 11.757 1.00 5.81 C ATOM 30 NE2 HIS A 3 -2.272 -9.696 12.551 1.00 5.91 N ATOM 0 H HIS A 3 -7.566 -12.762 10.569 1.00 4.05 H new ATOM 0 HA HIS A 3 -5.585 -12.440 12.692 1.00 3.23 H new ATOM 0 HB2 HIS A 3 -4.270 -12.642 10.575 1.00 3.35 H new ATOM 0 HB3 HIS A 3 -5.189 -11.315 9.894 1.00 3.35 H new ATOM 0 HD2 HIS A 3 -2.623 -11.837 12.868 1.00 5.02 H new ATOM 0 HE1 HIS A 3 -2.582 -7.764 11.684 1.00 5.81 H new ATOM 0 HE2 HIS A 3 -1.508 -9.505 13.199 1.00 5.91 H new ATOM 39 N GLY A 4 -7.891 -10.656 11.266 1.00 2.45 N ATOM 40 CA GLY A 4 -8.755 -9.502 11.440 1.00 2.34 C ATOM 41 C GLY A 4 -10.108 -9.687 10.783 1.00 2.00 C ATOM 42 O GLY A 4 -10.960 -10.417 11.292 1.00 2.37 O ATOM 0 H GLY A 4 -8.186 -11.306 10.537 1.00 2.45 H new ATOM 0 HA2 GLY A 4 -8.894 -9.313 12.504 1.00 2.34 H new ATOM 0 HA3 GLY A 4 -8.268 -8.621 11.021 1.00 2.34 H new ATOM 46 N TYR A 5 -10.308 -9.024 9.647 1.00 1.70 N ATOM 47 CA TYR A 5 -11.567 -9.118 8.918 1.00 1.43 C ATOM 48 C TYR A 5 -11.507 -10.213 7.860 1.00 1.39 C ATOM 49 O TYR A 5 -10.595 -10.241 7.032 1.00 1.60 O ATOM 50 CB TYR A 5 -11.904 -7.777 8.262 1.00 1.42 C ATOM 51 CG TYR A 5 -12.059 -6.643 9.249 1.00 1.57 C ATOM 52 CD1 TYR A 5 -13.291 -6.364 9.829 1.00 1.63 C ATOM 53 CD2 TYR A 5 -10.975 -5.848 9.601 1.00 1.84 C ATOM 54 CE1 TYR A 5 -13.437 -5.328 10.730 1.00 1.86 C ATOM 55 CE2 TYR A 5 -11.114 -4.809 10.502 1.00 2.07 C ATOM 56 CZ TYR A 5 -12.343 -4.558 11.069 1.00 2.04 C ATOM 57 OH TYR A 5 -12.490 -3.521 11.961 1.00 2.33 O ATOM 0 H TYR A 5 -9.614 -8.416 9.212 1.00 1.70 H new ATOM 0 HA TYR A 5 -12.350 -9.373 9.632 1.00 1.43 H new ATOM 0 HB2 TYR A 5 -11.119 -7.523 7.550 1.00 1.42 H new ATOM 0 HB3 TYR A 5 -12.828 -7.882 7.694 1.00 1.42 H new ATOM 0 HD1 TYR A 5 -14.148 -6.968 9.571 1.00 1.63 H new ATOM 0 HD2 TYR A 5 -10.008 -6.045 9.163 1.00 1.84 H new ATOM 0 HE1 TYR A 5 -14.403 -5.121 11.167 1.00 1.86 H new ATOM 0 HE2 TYR A 5 -10.262 -4.197 10.760 1.00 2.07 H new ATOM 0 HH TYR A 5 -11.626 -3.079 12.094 1.00 2.33 H new ATOM 67 N SER A 6 -12.484 -11.114 7.892 1.00 1.46 N ATOM 68 CA SER A 6 -12.547 -12.213 6.936 1.00 1.51 C ATOM 69 C SER A 6 -13.743 -12.051 6.003 1.00 1.40 C ATOM 70 O SER A 6 -14.859 -12.454 6.332 1.00 1.78 O ATOM 71 CB SER A 6 -12.636 -13.552 7.672 1.00 1.86 C ATOM 72 OG SER A 6 -13.766 -13.592 8.526 1.00 2.59 O ATOM 0 H SER A 6 -13.244 -11.104 8.572 1.00 1.46 H new ATOM 0 HA SER A 6 -11.636 -12.196 6.338 1.00 1.51 H new ATOM 0 HB2 SER A 6 -12.695 -14.365 6.948 1.00 1.86 H new ATOM 0 HB3 SER A 6 -11.729 -13.710 8.256 1.00 1.86 H new ATOM 0 HG SER A 6 -14.540 -13.209 8.063 1.00 2.59 H new ATOM 78 N ASP A 7 -13.498 -11.457 4.837 1.00 1.22 N ATOM 79 CA ASP A 7 -14.550 -11.234 3.850 1.00 1.25 C ATOM 80 C ASP A 7 -15.724 -10.479 4.467 1.00 1.28 C ATOM 81 O ASP A 7 -16.746 -11.073 4.810 1.00 1.58 O ATOM 82 CB ASP A 7 -15.028 -12.567 3.271 1.00 1.48 C ATOM 83 CG ASP A 7 -16.062 -12.385 2.177 1.00 1.96 C ATOM 84 OD1 ASP A 7 -15.665 -12.231 1.002 1.00 2.10 O ATOM 85 OD2 ASP A 7 -17.271 -12.397 2.494 1.00 2.67 O ATOM 0 H ASP A 7 -12.578 -11.121 4.553 1.00 1.22 H new ATOM 0 HA ASP A 7 -14.136 -10.627 3.045 1.00 1.25 H new ATOM 0 HB2 ASP A 7 -14.174 -13.114 2.872 1.00 1.48 H new ATOM 0 HB3 ASP A 7 -15.452 -13.176 4.070 1.00 1.48 H new ATOM 90 N ALA A 8 -15.567 -9.167 4.609 1.00 1.14 N ATOM 91 CA ALA A 8 -16.612 -8.331 5.188 1.00 1.29 C ATOM 92 C ALA A 8 -17.019 -7.215 4.233 1.00 1.46 C ATOM 93 O ALA A 8 -16.273 -6.257 4.028 1.00 1.58 O ATOM 94 CB ALA A 8 -16.145 -7.748 6.513 1.00 1.28 C ATOM 0 H ALA A 8 -14.727 -8.660 4.331 1.00 1.14 H new ATOM 0 HA ALA A 8 -17.486 -8.957 5.364 1.00 1.29 H new ATOM 0 HB1 ALA A 8 -16.934 -7.126 6.935 1.00 1.28 H new ATOM 0 HB2 ALA A 8 -15.912 -8.558 7.205 1.00 1.28 H new ATOM 0 HB3 ALA A 8 -15.254 -7.142 6.350 1.00 1.28 H new ATOM 100 N SER A 9 -18.210 -7.346 3.653 1.00 1.63 N ATOM 101 CA SER A 9 -18.727 -6.351 2.718 1.00 1.85 C ATOM 102 C SER A 9 -17.754 -6.119 1.565 1.00 1.76 C ATOM 103 O SER A 9 -17.744 -5.050 0.955 1.00 1.89 O ATOM 104 CB SER A 9 -19.000 -5.032 3.442 1.00 2.01 C ATOM 105 OG SER A 9 -19.976 -5.199 4.456 1.00 2.55 O ATOM 0 H SER A 9 -18.837 -8.134 3.815 1.00 1.63 H new ATOM 0 HA SER A 9 -19.661 -6.734 2.306 1.00 1.85 H new ATOM 0 HB2 SER A 9 -18.076 -4.656 3.881 1.00 2.01 H new ATOM 0 HB3 SER A 9 -19.340 -4.284 2.726 1.00 2.01 H new ATOM 0 HG SER A 9 -20.131 -4.342 4.905 1.00 2.55 H new ATOM 111 N GLY A 10 -16.940 -7.128 1.272 1.00 1.58 N ATOM 112 CA GLY A 10 -15.975 -7.014 0.194 1.00 1.55 C ATOM 113 C GLY A 10 -14.726 -6.262 0.606 1.00 1.38 C ATOM 114 O GLY A 10 -14.223 -5.425 -0.143 1.00 1.82 O ATOM 0 H GLY A 10 -16.931 -8.023 1.762 1.00 1.58 H new ATOM 0 HA2 GLY A 10 -15.698 -8.011 -0.147 1.00 1.55 H new ATOM 0 HA3 GLY A 10 -16.439 -6.505 -0.651 1.00 1.55 H new ATOM 118 N PHE A 11 -14.227 -6.557 1.801 1.00 1.08 N ATOM 119 CA PHE A 11 -13.025 -5.908 2.317 1.00 0.90 C ATOM 120 C PHE A 11 -12.185 -6.892 3.120 1.00 0.71 C ATOM 121 O PHE A 11 -12.594 -7.350 4.187 1.00 0.83 O ATOM 122 CB PHE A 11 -13.397 -4.708 3.194 1.00 1.02 C ATOM 123 CG PHE A 11 -14.062 -3.591 2.441 1.00 1.18 C ATOM 124 CD1 PHE A 11 -13.310 -2.693 1.703 1.00 1.05 C ATOM 125 CD2 PHE A 11 -15.439 -3.438 2.475 1.00 1.52 C ATOM 126 CE1 PHE A 11 -13.918 -1.663 1.010 1.00 1.24 C ATOM 127 CE2 PHE A 11 -16.053 -2.410 1.785 1.00 1.70 C ATOM 128 CZ PHE A 11 -15.291 -1.521 1.052 1.00 1.55 C ATOM 0 H PHE A 11 -14.637 -7.244 2.434 1.00 1.08 H new ATOM 0 HA PHE A 11 -12.439 -5.558 1.467 1.00 0.90 H new ATOM 0 HB2 PHE A 11 -14.062 -5.044 3.990 1.00 1.02 H new ATOM 0 HB3 PHE A 11 -12.495 -4.325 3.672 1.00 1.02 H new ATOM 0 HD1 PHE A 11 -12.236 -2.798 1.668 1.00 1.05 H new ATOM 0 HD2 PHE A 11 -16.039 -4.130 3.047 1.00 1.52 H new ATOM 0 HE1 PHE A 11 -13.320 -0.970 0.436 1.00 1.24 H new ATOM 0 HE2 PHE A 11 -17.127 -2.302 1.819 1.00 1.70 H new ATOM 0 HZ PHE A 11 -15.768 -0.716 0.513 1.00 1.55 H new ATOM 138 N SER A 12 -11.009 -7.215 2.596 1.00 0.55 N ATOM 139 CA SER A 12 -10.106 -8.146 3.261 1.00 0.45 C ATOM 140 C SER A 12 -8.726 -7.525 3.442 1.00 0.39 C ATOM 141 O SER A 12 -8.230 -6.817 2.563 1.00 0.38 O ATOM 142 CB SER A 12 -9.996 -9.443 2.457 1.00 0.51 C ATOM 143 OG SER A 12 -9.110 -10.357 3.081 1.00 0.90 O ATOM 0 H SER A 12 -10.658 -6.846 1.712 1.00 0.55 H new ATOM 0 HA SER A 12 -10.514 -8.373 4.246 1.00 0.45 H new ATOM 0 HB2 SER A 12 -10.982 -9.898 2.358 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.644 -9.221 1.449 1.00 0.51 H new ATOM 0 HG SER A 12 -9.059 -11.178 2.549 1.00 0.90 H new ATOM 149 N LEU A 13 -8.117 -7.786 4.593 1.00 0.41 N ATOM 150 CA LEU A 13 -6.791 -7.260 4.891 1.00 0.40 C ATOM 151 C LEU A 13 -5.720 -8.124 4.237 1.00 0.45 C ATOM 152 O LEU A 13 -5.638 -9.326 4.492 1.00 0.68 O ATOM 153 CB LEU A 13 -6.568 -7.199 6.403 1.00 0.56 C ATOM 154 CG LEU A 13 -7.583 -6.356 7.178 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.381 -6.518 8.677 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.466 -4.893 6.783 1.00 0.79 C ATOM 0 H LEU A 13 -8.520 -8.358 5.335 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.721 -6.250 4.487 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.586 -8.215 6.798 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.571 -6.802 6.591 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.584 -6.706 6.927 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.112 -5.911 9.210 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -7.510 -7.565 8.950 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.375 -6.194 8.946 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.194 -4.306 7.342 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.461 -4.535 7.008 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.658 -4.788 5.715 1.00 0.79 H new ATOM 168 N TYR A 14 -4.900 -7.507 3.394 1.00 0.36 N ATOM 169 CA TYR A 14 -3.840 -8.224 2.699 1.00 0.50 C ATOM 170 C TYR A 14 -2.465 -7.755 3.164 1.00 0.31 C ATOM 171 O TYR A 14 -2.261 -6.572 3.440 1.00 0.37 O ATOM 172 CB TYR A 14 -3.978 -8.032 1.187 1.00 0.80 C ATOM 173 CG TYR A 14 -5.157 -8.768 0.586 1.00 0.68 C ATOM 174 CD1 TYR A 14 -6.411 -8.172 0.529 1.00 0.71 C ATOM 175 CD2 TYR A 14 -5.020 -10.056 0.077 1.00 1.20 C ATOM 176 CE1 TYR A 14 -7.494 -8.837 -0.016 1.00 1.34 C ATOM 177 CE2 TYR A 14 -6.098 -10.725 -0.470 1.00 1.90 C ATOM 178 CZ TYR A 14 -7.314 -10.130 -0.526 1.00 1.98 C ATOM 179 OH TYR A 14 -8.407 -10.775 -1.057 1.00 2.73 O ATOM 0 H TYR A 14 -4.950 -6.512 3.176 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.935 -9.284 2.935 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -4.077 -6.968 0.972 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -3.063 -8.371 0.701 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -6.542 -7.173 0.917 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -4.055 -10.540 0.110 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -8.466 -8.366 -0.048 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -5.971 -11.726 -0.854 1.00 1.90 H new ATOM 0 HH TYR A 14 -8.140 -11.663 -1.375 1.00 2.73 H new ATOM 189 N SER A 15 -1.525 -8.689 3.251 1.00 0.43 N ATOM 190 CA SER A 15 -0.170 -8.371 3.684 1.00 0.38 C ATOM 191 C SER A 15 0.859 -9.179 2.903 1.00 0.33 C ATOM 192 O SER A 15 0.774 -10.406 2.828 1.00 0.41 O ATOM 193 CB SER A 15 -0.014 -8.638 5.183 1.00 0.59 C ATOM 194 OG SER A 15 -0.296 -9.992 5.492 1.00 1.19 O ATOM 0 H SER A 15 -1.676 -9.673 3.027 1.00 0.43 H new ATOM 0 HA SER A 15 0.005 -7.313 3.489 1.00 0.38 H new ATOM 0 HB2 SER A 15 1.002 -8.394 5.495 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.685 -7.987 5.743 1.00 0.59 H new ATOM 0 HG SER A 15 0.029 -10.567 4.768 1.00 1.19 H new ATOM 200 N VAL A 16 1.829 -8.482 2.320 1.00 0.32 N ATOM 201 CA VAL A 16 2.879 -9.129 1.546 1.00 0.33 C ATOM 202 C VAL A 16 4.246 -8.870 2.170 1.00 0.31 C ATOM 203 O VAL A 16 4.501 -7.787 2.697 1.00 0.44 O ATOM 204 CB VAL A 16 2.887 -8.637 0.086 1.00 0.44 C ATOM 205 CG1 VAL A 16 3.835 -9.475 -0.758 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.480 -8.662 -0.493 1.00 0.56 C ATOM 0 H VAL A 16 1.908 -7.466 2.370 1.00 0.32 H new ATOM 0 HA VAL A 16 2.672 -10.199 1.554 1.00 0.33 H new ATOM 0 HB VAL A 16 3.243 -7.607 0.072 1.00 0.44 H new ATOM 0 HG11 VAL A 16 3.826 -9.111 -1.785 1.00 0.53 H new ATOM 0 HG12 VAL A 16 4.845 -9.399 -0.355 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.515 -10.517 -0.739 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.505 -8.311 -1.525 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.093 -9.681 -0.465 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.833 -8.012 0.096 1.00 0.56 H new ATOM 216 N GLU A 17 5.123 -9.867 2.108 1.00 0.33 N ATOM 217 CA GLU A 17 6.461 -9.741 2.676 1.00 0.34 C ATOM 218 C GLU A 17 7.482 -9.353 1.612 1.00 0.32 C ATOM 219 O GLU A 17 7.755 -10.119 0.687 1.00 0.38 O ATOM 220 CB GLU A 17 6.884 -11.047 3.349 1.00 0.45 C ATOM 221 CG GLU A 17 6.091 -11.369 4.604 1.00 0.71 C ATOM 222 CD GLU A 17 4.663 -11.782 4.306 1.00 1.18 C ATOM 223 OE1 GLU A 17 4.431 -12.985 4.063 1.00 1.42 O ATOM 224 OE2 GLU A 17 3.777 -10.901 4.314 1.00 1.74 O ATOM 0 H GLU A 17 4.932 -10.769 1.671 1.00 0.33 H new ATOM 0 HA GLU A 17 6.427 -8.948 3.423 1.00 0.34 H new ATOM 0 HB2 GLU A 17 6.771 -11.865 2.638 1.00 0.45 H new ATOM 0 HB3 GLU A 17 7.942 -10.989 3.603 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.590 -12.171 5.148 1.00 0.71 H new ATOM 0 HG3 GLU A 17 6.083 -10.497 5.257 1.00 0.71 H new ATOM 231 N LEU A 18 8.043 -8.156 1.757 1.00 0.31 N ATOM 232 CA LEU A 18 9.042 -7.654 0.822 1.00 0.34 C ATOM 233 C LEU A 18 10.385 -7.475 1.519 1.00 0.38 C ATOM 234 O LEU A 18 10.466 -7.510 2.747 1.00 0.68 O ATOM 235 CB LEU A 18 8.589 -6.321 0.217 1.00 0.40 C ATOM 236 CG LEU A 18 7.736 -6.427 -1.050 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.542 -7.036 -2.186 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.480 -7.246 -0.786 1.00 0.71 C ATOM 0 H LEU A 18 7.821 -7.514 2.517 1.00 0.31 H new ATOM 0 HA LEU A 18 9.155 -8.385 0.021 1.00 0.34 H new ATOM 0 HB2 LEU A 18 8.022 -5.774 0.971 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.474 -5.726 -0.010 1.00 0.40 H new ATOM 0 HG LEU A 18 7.433 -5.422 -1.343 1.00 0.46 H new ATOM 0 HD11 LEU A 18 7.920 -7.104 -3.078 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.408 -6.408 -2.395 1.00 0.81 H new ATOM 0 HD13 LEU A 18 8.877 -8.033 -1.901 1.00 0.81 H new ATOM 0 HD21 LEU A 18 5.888 -7.309 -1.699 1.00 0.71 H new ATOM 0 HD22 LEU A 18 6.761 -8.249 -0.466 1.00 0.71 H new ATOM 0 HD23 LEU A 18 5.891 -6.767 -0.004 1.00 0.71 H new ATOM 250 N PHE A 19 11.436 -7.291 0.731 1.00 0.41 N ATOM 251 CA PHE A 19 12.772 -7.103 1.281 1.00 0.43 C ATOM 252 C PHE A 19 13.676 -6.392 0.285 1.00 0.49 C ATOM 253 O PHE A 19 13.720 -6.748 -0.893 1.00 0.59 O ATOM 254 CB PHE A 19 13.382 -8.450 1.684 1.00 0.48 C ATOM 255 CG PHE A 19 13.567 -9.405 0.538 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.508 -10.177 0.086 1.00 0.74 C ATOM 257 CD2 PHE A 19 14.796 -9.527 -0.089 1.00 1.50 C ATOM 258 CE1 PHE A 19 12.673 -11.053 -0.970 1.00 1.25 C ATOM 259 CE2 PHE A 19 14.967 -10.402 -1.145 1.00 2.08 C ATOM 260 CZ PHE A 19 13.912 -11.177 -1.575 1.00 1.94 C ATOM 0 H PHE A 19 11.390 -7.268 -0.288 1.00 0.41 H new ATOM 0 HA PHE A 19 12.685 -6.478 2.170 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.349 -8.273 2.156 1.00 0.48 H new ATOM 0 HB3 PHE A 19 12.743 -8.917 2.433 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.543 -10.093 0.564 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.630 -8.931 0.251 1.00 1.50 H new ATOM 0 HE1 PHE A 19 11.837 -11.639 -1.322 1.00 1.25 H new ATOM 0 HE2 PHE A 19 15.927 -10.478 -1.633 1.00 2.08 H new ATOM 0 HZ PHE A 19 14.051 -11.880 -2.383 1.00 1.94 H new ATOM 270 N ARG A 20 14.393 -5.379 0.762 1.00 0.52 N ATOM 271 CA ARG A 20 15.298 -4.628 -0.097 1.00 0.66 C ATOM 272 C ARG A 20 16.748 -4.862 0.316 1.00 0.68 C ATOM 273 O ARG A 20 17.105 -4.700 1.482 1.00 0.83 O ATOM 274 CB ARG A 20 14.966 -3.135 -0.047 1.00 0.73 C ATOM 275 CG ARG A 20 15.740 -2.301 -1.056 1.00 0.99 C ATOM 276 CD ARG A 20 15.028 -2.236 -2.401 1.00 1.19 C ATOM 277 NE ARG A 20 14.687 -3.561 -2.915 1.00 1.60 N ATOM 278 CZ ARG A 20 15.234 -4.094 -4.003 1.00 2.26 C ATOM 279 NH1 ARG A 20 16.141 -3.415 -4.692 1.00 2.52 N ATOM 280 NH2 ARG A 20 14.872 -5.305 -4.404 1.00 3.06 N ATOM 0 H ARG A 20 14.365 -5.062 1.731 1.00 0.52 H new ATOM 0 HA ARG A 20 15.170 -4.979 -1.121 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.898 -3.003 -0.223 1.00 0.73 H new ATOM 0 HB3 ARG A 20 15.172 -2.760 0.955 1.00 0.73 H new ATOM 0 HG2 ARG A 20 15.874 -1.292 -0.667 1.00 0.99 H new ATOM 0 HG3 ARG A 20 16.735 -2.725 -1.191 1.00 0.99 H new ATOM 0 HD2 ARG A 20 14.119 -1.643 -2.300 1.00 1.19 H new ATOM 0 HD3 ARG A 20 15.664 -1.722 -3.122 1.00 1.19 H new ATOM 0 HE ARG A 20 13.990 -4.108 -2.410 1.00 1.60 H new ATOM 0 HH11 ARG A 20 16.420 -2.482 -4.387 1.00 2.52 H new ATOM 0 HH12 ARG A 20 16.560 -3.825 -5.527 1.00 2.52 H new ATOM 0 HH21 ARG A 20 14.173 -5.829 -3.877 1.00 3.06 H new ATOM 0 HH22 ARG A 20 15.293 -5.713 -5.239 1.00 3.06 H new ATOM 294 N GLU A 21 17.577 -5.248 -0.648 1.00 0.82 N ATOM 295 CA GLU A 21 18.987 -5.513 -0.384 1.00 0.93 C ATOM 296 C GLU A 21 19.877 -4.689 -1.307 1.00 1.16 C ATOM 297 O GLU A 21 21.096 -4.647 -1.137 1.00 1.57 O ATOM 298 CB GLU A 21 19.286 -7.003 -0.568 1.00 1.09 C ATOM 299 CG GLU A 21 18.421 -7.910 0.293 1.00 1.62 C ATOM 300 CD GLU A 21 18.592 -7.645 1.776 1.00 2.00 C ATOM 301 OE1 GLU A 21 19.679 -7.947 2.312 1.00 2.21 O ATOM 302 OE2 GLU A 21 17.638 -7.138 2.402 1.00 2.58 O ATOM 0 H GLU A 21 17.297 -5.384 -1.619 1.00 0.82 H new ATOM 0 HA GLU A 21 19.200 -5.228 0.646 1.00 0.93 H new ATOM 0 HB2 GLU A 21 19.143 -7.267 -1.616 1.00 1.09 H new ATOM 0 HB3 GLU A 21 20.335 -7.186 -0.334 1.00 1.09 H new ATOM 0 HG2 GLU A 21 17.374 -7.772 0.022 1.00 1.62 H new ATOM 0 HG3 GLU A 21 18.670 -8.950 0.083 1.00 1.62 H new ATOM 309 N LYS A 22 19.259 -4.033 -2.282 1.00 1.11 N ATOM 310 CA LYS A 22 19.991 -3.208 -3.236 1.00 1.40 C ATOM 311 C LYS A 22 20.065 -1.763 -2.755 1.00 1.31 C ATOM 312 O LYS A 22 19.234 -1.319 -1.962 1.00 1.38 O ATOM 313 CB LYS A 22 19.317 -3.267 -4.608 1.00 1.65 C ATOM 314 CG LYS A 22 19.040 -4.682 -5.093 1.00 2.00 C ATOM 315 CD LYS A 22 20.329 -5.448 -5.354 1.00 2.54 C ATOM 316 CE LYS A 22 20.046 -6.873 -5.802 1.00 3.05 C ATOM 317 NZ LYS A 22 21.297 -7.615 -6.118 1.00 3.72 N ATOM 0 H LYS A 22 18.251 -4.056 -2.433 1.00 1.11 H new ATOM 0 HA LYS A 22 21.006 -3.598 -3.319 1.00 1.40 H new ATOM 0 HB2 LYS A 22 18.377 -2.717 -4.565 1.00 1.65 H new ATOM 0 HB3 LYS A 22 19.950 -2.760 -5.336 1.00 1.65 H new ATOM 0 HG2 LYS A 22 18.445 -5.212 -4.349 1.00 2.00 H new ATOM 0 HG3 LYS A 22 18.447 -4.644 -6.007 1.00 2.00 H new ATOM 0 HD2 LYS A 22 20.911 -4.934 -6.118 1.00 2.54 H new ATOM 0 HD3 LYS A 22 20.935 -5.463 -4.448 1.00 2.54 H new ATOM 0 HE2 LYS A 22 19.501 -7.398 -5.018 1.00 3.05 H new ATOM 0 HE3 LYS A 22 19.402 -6.856 -6.681 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 21.060 -8.582 -6.419 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 21.805 -7.128 -6.884 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 21.901 -7.654 -5.272 1.00 3.72 H new ATOM 331 N ASP A 23 21.064 -1.033 -3.241 1.00 1.46 N ATOM 332 CA ASP A 23 21.243 0.363 -2.862 1.00 1.51 C ATOM 333 C ASP A 23 20.432 1.279 -3.774 1.00 1.31 C ATOM 334 O ASP A 23 20.847 2.397 -4.079 1.00 1.58 O ATOM 335 CB ASP A 23 22.724 0.745 -2.918 1.00 1.91 C ATOM 336 CG ASP A 23 23.310 0.590 -4.308 1.00 2.29 C ATOM 337 OD1 ASP A 23 23.793 -0.515 -4.629 1.00 2.58 O ATOM 338 OD2 ASP A 23 23.287 1.576 -5.075 1.00 2.87 O ATOM 0 H ASP A 23 21.761 -1.385 -3.897 1.00 1.46 H new ATOM 0 HA ASP A 23 20.885 0.486 -1.840 1.00 1.51 H new ATOM 0 HB2 ASP A 23 22.842 1.778 -2.590 1.00 1.91 H new ATOM 0 HB3 ASP A 23 23.283 0.123 -2.220 1.00 1.91 H new ATOM 343 N THR A 24 19.271 0.793 -4.204 1.00 1.02 N ATOM 344 CA THR A 24 18.397 1.560 -5.082 1.00 0.98 C ATOM 345 C THR A 24 17.480 2.477 -4.279 1.00 1.01 C ATOM 346 O THR A 24 16.958 3.463 -4.801 1.00 1.16 O ATOM 347 CB THR A 24 17.537 0.635 -5.962 1.00 1.17 C ATOM 348 OG1 THR A 24 16.657 -0.144 -5.141 1.00 1.38 O ATOM 349 CG2 THR A 24 18.416 -0.292 -6.790 1.00 1.19 C ATOM 0 H THR A 24 18.914 -0.130 -3.957 1.00 1.02 H new ATOM 0 HA THR A 24 19.040 2.164 -5.722 1.00 0.98 H new ATOM 0 HB THR A 24 16.949 1.256 -6.638 1.00 1.17 H new ATOM 0 HG1 THR A 24 16.112 -0.729 -5.708 1.00 1.38 H new ATOM 0 HG21 THR A 24 17.788 -0.937 -7.404 1.00 1.19 H new ATOM 0 HG22 THR A 24 19.066 0.301 -7.434 1.00 1.19 H new ATOM 0 HG23 THR A 24 19.025 -0.905 -6.126 1.00 1.19 H new ATOM 357 N SER A 25 17.289 2.138 -3.005 1.00 1.05 N ATOM 358 CA SER A 25 16.440 2.922 -2.112 1.00 1.35 C ATOM 359 C SER A 25 15.015 3.028 -2.649 1.00 1.17 C ATOM 360 O SER A 25 14.246 3.889 -2.222 1.00 1.39 O ATOM 361 CB SER A 25 17.026 4.322 -1.910 1.00 1.79 C ATOM 362 OG SER A 25 18.318 4.254 -1.334 1.00 2.45 O ATOM 0 H SER A 25 17.714 1.321 -2.567 1.00 1.05 H new ATOM 0 HA SER A 25 16.405 2.406 -1.152 1.00 1.35 H new ATOM 0 HB2 SER A 25 17.078 4.840 -2.868 1.00 1.79 H new ATOM 0 HB3 SER A 25 16.368 4.906 -1.267 1.00 1.79 H new ATOM 0 HG SER A 25 18.672 5.160 -1.216 1.00 2.45 H new ATOM 368 N SER A 26 14.667 2.146 -3.580 1.00 0.84 N ATOM 369 CA SER A 26 13.335 2.146 -4.173 1.00 0.72 C ATOM 370 C SER A 26 12.701 0.761 -4.095 1.00 0.58 C ATOM 371 O SER A 26 13.380 -0.254 -4.252 1.00 0.69 O ATOM 372 CB SER A 26 13.403 2.606 -5.630 1.00 0.81 C ATOM 373 OG SER A 26 13.927 3.920 -5.726 1.00 1.40 O ATOM 0 H SER A 26 15.289 1.422 -3.940 1.00 0.84 H new ATOM 0 HA SER A 26 12.715 2.841 -3.607 1.00 0.72 H new ATOM 0 HB2 SER A 26 14.027 1.920 -6.203 1.00 0.81 H new ATOM 0 HB3 SER A 26 12.407 2.575 -6.071 1.00 0.81 H new ATOM 0 HG SER A 26 14.866 3.919 -5.446 1.00 1.40 H new ATOM 379 N LEU A 27 11.396 0.729 -3.849 1.00 0.42 N ATOM 380 CA LEU A 27 10.667 -0.530 -3.751 1.00 0.32 C ATOM 381 C LEU A 27 9.674 -0.674 -4.898 1.00 0.29 C ATOM 382 O LEU A 27 9.136 -1.756 -5.134 1.00 0.41 O ATOM 383 CB LEU A 27 9.940 -0.622 -2.407 1.00 0.35 C ATOM 384 CG LEU A 27 10.853 -0.761 -1.186 1.00 0.38 C ATOM 385 CD1 LEU A 27 10.046 -0.671 0.100 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.619 -2.075 -1.240 1.00 0.43 C ATOM 0 H LEU A 27 10.821 1.561 -3.714 1.00 0.42 H new ATOM 0 HA LEU A 27 11.388 -1.345 -3.818 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.325 0.269 -2.282 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.263 -1.476 -2.435 1.00 0.35 H new ATOM 0 HG LEU A 27 11.570 0.060 -1.200 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.713 -0.772 0.956 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.541 0.294 0.146 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.305 -1.470 0.121 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.263 -2.157 -0.364 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.914 -2.907 -1.251 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.229 -2.104 -2.143 1.00 0.43 H new ATOM 398 N GLY A 28 9.435 0.424 -5.609 1.00 0.29 N ATOM 399 CA GLY A 28 8.515 0.397 -6.732 1.00 0.31 C ATOM 400 C GLY A 28 7.092 0.746 -6.346 1.00 0.29 C ATOM 401 O GLY A 28 6.141 0.259 -6.957 1.00 0.52 O ATOM 0 H GLY A 28 9.862 1.332 -5.427 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.860 1.097 -7.493 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.530 -0.596 -7.182 1.00 0.31 H new ATOM 405 N ILE A 29 6.941 1.591 -5.333 1.00 0.35 N ATOM 406 CA ILE A 29 5.619 2.002 -4.874 1.00 0.32 C ATOM 407 C ILE A 29 5.263 3.394 -5.390 1.00 0.30 C ATOM 408 O ILE A 29 5.884 4.385 -5.004 1.00 0.35 O ATOM 409 CB ILE A 29 5.534 1.999 -3.336 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.990 0.646 -2.772 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.118 2.322 -2.880 1.00 0.36 C ATOM 412 CD1 ILE A 29 5.180 -0.533 -3.270 1.00 0.84 C ATOM 0 H ILE A 29 7.716 2.004 -4.814 1.00 0.35 H new ATOM 0 HA ILE A 29 4.907 1.279 -5.272 1.00 0.32 H new ATOM 0 HB ILE A 29 6.202 2.770 -2.953 1.00 0.37 H new ATOM 0 HG12 ILE A 29 7.037 0.490 -3.032 1.00 0.46 H new ATOM 0 HG13 ILE A 29 5.933 0.679 -1.684 1.00 0.46 H new ATOM 0 HG21 ILE A 29 4.076 2.316 -1.791 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.833 3.308 -3.248 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.429 1.574 -3.274 1.00 0.36 H new ATOM 0 HD11 ILE A 29 5.564 -1.452 -2.826 1.00 0.84 H new ATOM 0 HD12 ILE A 29 4.135 -0.402 -2.987 1.00 0.84 H new ATOM 0 HD13 ILE A 29 5.257 -0.595 -4.356 1.00 0.84 H new ATOM 424 N SER A 30 4.260 3.460 -6.262 1.00 0.27 N ATOM 425 CA SER A 30 3.821 4.733 -6.826 1.00 0.29 C ATOM 426 C SER A 30 2.451 5.122 -6.281 1.00 0.28 C ATOM 427 O SER A 30 1.420 4.655 -6.769 1.00 0.35 O ATOM 428 CB SER A 30 3.771 4.651 -8.353 1.00 0.33 C ATOM 429 OG SER A 30 3.397 5.895 -8.919 1.00 0.95 O ATOM 0 H SER A 30 3.737 2.649 -6.593 1.00 0.27 H new ATOM 0 HA SER A 30 4.541 5.498 -6.536 1.00 0.29 H new ATOM 0 HB2 SER A 30 4.747 4.352 -8.736 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.060 3.882 -8.656 1.00 0.33 H new ATOM 0 HG SER A 30 2.809 5.741 -9.688 1.00 0.95 H new ATOM 435 N ILE A 31 2.447 5.981 -5.266 1.00 0.25 N ATOM 436 CA ILE A 31 1.206 6.435 -4.650 1.00 0.27 C ATOM 437 C ILE A 31 0.629 7.636 -5.393 1.00 0.31 C ATOM 438 O ILE A 31 1.359 8.389 -6.038 1.00 0.41 O ATOM 439 CB ILE A 31 1.418 6.811 -3.170 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.579 7.802 -3.031 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.674 5.560 -2.341 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.803 8.286 -1.614 1.00 0.39 C ATOM 0 H ILE A 31 3.291 6.377 -4.853 1.00 0.25 H new ATOM 0 HA ILE A 31 0.502 5.605 -4.708 1.00 0.27 H new ATOM 0 HB ILE A 31 0.514 7.292 -2.797 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.493 7.330 -3.392 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.389 8.662 -3.673 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.822 5.839 -1.298 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.818 4.890 -2.419 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.566 5.054 -2.711 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.640 8.983 -1.596 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.905 8.788 -1.255 1.00 0.39 H new ATOM 0 HD13 ILE A 31 3.025 7.435 -0.970 1.00 0.39 H new ATOM 454 N SER A 32 -0.687 7.805 -5.299 1.00 0.37 N ATOM 455 CA SER A 32 -1.368 8.911 -5.963 1.00 0.44 C ATOM 456 C SER A 32 -2.303 9.631 -4.998 1.00 0.55 C ATOM 457 O SER A 32 -2.991 9.000 -4.196 1.00 0.59 O ATOM 458 CB SER A 32 -2.159 8.397 -7.168 1.00 0.48 C ATOM 459 OG SER A 32 -2.839 9.454 -7.821 1.00 1.32 O ATOM 0 H SER A 32 -1.303 7.189 -4.769 1.00 0.37 H new ATOM 0 HA SER A 32 -0.613 9.619 -6.305 1.00 0.44 H new ATOM 0 HB2 SER A 32 -1.483 7.908 -7.869 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.878 7.645 -6.841 1.00 0.48 H new ATOM 0 HG SER A 32 -3.729 9.150 -8.096 1.00 1.32 H new ATOM 465 N GLY A 33 -2.322 10.959 -5.081 1.00 0.70 N ATOM 466 CA GLY A 33 -3.177 11.745 -4.211 1.00 0.87 C ATOM 467 C GLY A 33 -4.640 11.651 -4.595 1.00 0.88 C ATOM 468 O GLY A 33 -4.976 11.593 -5.778 1.00 0.95 O ATOM 0 H GLY A 33 -1.760 11.504 -5.735 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -3.052 11.407 -3.182 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -2.862 12.788 -4.244 1.00 0.87 H new ATOM 472 N MET A 34 -5.513 11.634 -3.592 1.00 1.12 N ATOM 473 CA MET A 34 -6.950 11.546 -3.829 1.00 1.25 C ATOM 474 C MET A 34 -7.598 12.924 -3.748 1.00 1.38 C ATOM 475 O MET A 34 -7.737 13.493 -2.665 1.00 1.63 O ATOM 476 CB MET A 34 -7.598 10.605 -2.811 1.00 1.56 C ATOM 477 CG MET A 34 -9.088 10.398 -3.030 1.00 1.77 C ATOM 478 SD MET A 34 -9.814 9.263 -1.830 1.00 2.04 S ATOM 479 CE MET A 34 -11.509 9.201 -2.403 1.00 1.98 C ATOM 0 H MET A 34 -5.250 11.680 -2.607 1.00 1.12 H new ATOM 0 HA MET A 34 -7.105 11.149 -4.832 1.00 1.25 H new ATOM 0 HB2 MET A 34 -7.096 9.638 -2.853 1.00 1.56 H new ATOM 0 HB3 MET A 34 -7.439 11.004 -1.809 1.00 1.56 H new ATOM 0 HG2 MET A 34 -9.598 11.360 -2.970 1.00 1.77 H new ATOM 0 HG3 MET A 34 -9.254 10.012 -4.036 1.00 1.77 H new ATOM 0 HE1 MET A 34 -12.086 8.537 -1.760 1.00 1.98 H new ATOM 0 HE2 MET A 34 -11.940 10.202 -2.372 1.00 1.98 H new ATOM 0 HE3 MET A 34 -11.534 8.827 -3.426 1.00 1.98 H new ATOM 489 N ARG A 35 -7.989 13.457 -4.902 1.00 1.52 N ATOM 490 CA ARG A 35 -8.623 14.770 -4.960 1.00 1.79 C ATOM 491 C ARG A 35 -10.143 14.639 -5.010 1.00 2.00 C ATOM 492 O ARG A 35 -10.689 13.966 -5.882 1.00 2.40 O ATOM 493 CB ARG A 35 -8.129 15.551 -6.180 1.00 2.21 C ATOM 494 CG ARG A 35 -6.698 16.054 -6.051 1.00 2.56 C ATOM 495 CD ARG A 35 -5.686 14.928 -6.191 1.00 2.88 C ATOM 496 NE ARG A 35 -4.317 15.401 -6.003 1.00 3.69 N ATOM 497 CZ ARG A 35 -3.242 14.739 -6.421 1.00 4.52 C ATOM 498 NH1 ARG A 35 -3.376 13.578 -7.048 1.00 4.68 N ATOM 499 NH2 ARG A 35 -2.033 15.241 -6.213 1.00 5.46 N ATOM 0 H ARG A 35 -7.878 13.001 -5.808 1.00 1.52 H new ATOM 0 HA ARG A 35 -8.350 15.314 -4.056 1.00 1.79 H new ATOM 0 HB2 ARG A 35 -8.202 14.914 -7.061 1.00 2.21 H new ATOM 0 HB3 ARG A 35 -8.789 16.402 -6.346 1.00 2.21 H new ATOM 0 HG2 ARG A 35 -6.509 16.809 -6.814 1.00 2.56 H new ATOM 0 HG3 ARG A 35 -6.570 16.539 -5.083 1.00 2.56 H new ATOM 0 HD2 ARG A 35 -5.905 14.150 -5.460 1.00 2.88 H new ATOM 0 HD3 ARG A 35 -5.781 14.474 -7.178 1.00 2.88 H new ATOM 0 HE ARG A 35 -4.177 16.290 -5.523 1.00 3.69 H new ATOM 0 HH11 ARG A 35 -4.305 13.191 -7.211 1.00 4.68 H new ATOM 0 HH12 ARG A 35 -2.550 13.073 -7.367 1.00 4.68 H new ATOM 0 HH21 ARG A 35 -1.928 16.135 -5.733 1.00 5.46 H new ATOM 0 HH22 ARG A 35 -1.208 14.734 -6.533 1.00 5.46 H new ATOM 513 N ASP A 36 -10.818 15.289 -4.067 1.00 2.20 N ATOM 514 CA ASP A 36 -12.275 15.247 -3.999 1.00 2.60 C ATOM 515 C ASP A 36 -12.888 16.418 -4.764 1.00 2.84 C ATOM 516 O ASP A 36 -12.252 17.455 -4.947 1.00 3.13 O ATOM 517 CB ASP A 36 -12.737 15.276 -2.541 1.00 3.10 C ATOM 518 CG ASP A 36 -14.239 15.124 -2.408 1.00 3.69 C ATOM 519 OD1 ASP A 36 -14.726 13.974 -2.455 1.00 4.03 O ATOM 520 OD2 ASP A 36 -14.930 16.152 -2.254 1.00 4.29 O ATOM 0 H ASP A 36 -10.379 15.852 -3.338 1.00 2.20 H new ATOM 0 HA ASP A 36 -12.611 14.319 -4.461 1.00 2.60 H new ATOM 0 HB2 ASP A 36 -12.243 14.475 -1.990 1.00 3.10 H new ATOM 0 HB3 ASP A 36 -12.428 16.216 -2.083 1.00 3.10 H new ATOM 525 N GLN A 37 -14.129 16.238 -5.206 1.00 3.14 N ATOM 526 CA GLN A 37 -14.839 17.266 -5.952 1.00 3.57 C ATOM 527 C GLN A 37 -15.372 18.356 -5.023 1.00 3.76 C ATOM 528 O GLN A 37 -16.236 19.146 -5.408 1.00 4.28 O ATOM 529 CB GLN A 37 -15.994 16.630 -6.728 1.00 4.06 C ATOM 530 CG GLN A 37 -16.474 17.467 -7.895 1.00 4.18 C ATOM 531 CD GLN A 37 -17.631 16.827 -8.639 1.00 4.68 C ATOM 532 OE1 GLN A 37 -18.448 16.060 -7.924 1.00 4.94 O flip ATOM 533 NE2 GLN A 37 -17.790 17.019 -9.845 1.00 5.25 N flip ATOM 0 H GLN A 37 -14.665 15.383 -5.058 1.00 3.14 H new ATOM 0 HA GLN A 37 -14.140 17.730 -6.648 1.00 3.57 H new ATOM 0 HB2 GLN A 37 -15.679 15.654 -7.097 1.00 4.06 H new ATOM 0 HB3 GLN A 37 -16.828 16.459 -6.047 1.00 4.06 H new ATOM 0 HG2 GLN A 37 -16.780 18.448 -7.532 1.00 4.18 H new ATOM 0 HG3 GLN A 37 -15.647 17.627 -8.587 1.00 4.18 H new ATOM 0 HE21 GLN A 37 -17.139 17.615 -10.357 1.00 5.25 H new ATOM 0 HE22 GLN A 37 -18.572 16.582 -10.332 1.00 5.25 H new ATOM 542 N SER A 38 -14.853 18.396 -3.799 1.00 3.75 N ATOM 543 CA SER A 38 -15.279 19.389 -2.818 1.00 4.18 C ATOM 544 C SER A 38 -14.298 19.458 -1.653 1.00 4.18 C ATOM 545 O SER A 38 -13.482 18.557 -1.461 1.00 4.39 O ATOM 546 CB SER A 38 -16.680 19.057 -2.300 1.00 4.65 C ATOM 547 OG SER A 38 -17.119 20.021 -1.360 1.00 4.88 O ATOM 0 H SER A 38 -14.137 17.752 -3.463 1.00 3.75 H new ATOM 0 HA SER A 38 -15.302 20.362 -3.309 1.00 4.18 H new ATOM 0 HB2 SER A 38 -17.379 19.015 -3.135 1.00 4.65 H new ATOM 0 HB3 SER A 38 -16.675 18.070 -1.838 1.00 4.65 H new ATOM 0 HG SER A 38 -18.017 19.786 -1.046 1.00 4.88 H new ATOM 553 N THR A 39 -14.385 20.534 -0.876 1.00 4.37 N ATOM 554 CA THR A 39 -13.507 20.722 0.274 1.00 4.62 C ATOM 555 C THR A 39 -14.314 20.895 1.557 1.00 4.92 C ATOM 556 O THR A 39 -15.340 21.574 1.570 1.00 5.20 O ATOM 557 CB THR A 39 -12.593 21.948 0.089 1.00 4.99 C ATOM 558 OG1 THR A 39 -13.383 23.123 -0.128 1.00 5.27 O ATOM 559 CG2 THR A 39 -11.645 21.745 -1.084 1.00 5.22 C ATOM 0 H THR A 39 -15.055 21.289 -1.022 1.00 4.37 H new ATOM 0 HA THR A 39 -12.890 19.826 0.351 1.00 4.62 H new ATOM 0 HB THR A 39 -12.002 22.071 0.997 1.00 4.99 H new ATOM 0 HG1 THR A 39 -12.793 23.897 -0.243 1.00 5.27 H new ATOM 0 HG21 THR A 39 -11.010 22.624 -1.195 1.00 5.22 H new ATOM 0 HG22 THR A 39 -11.023 20.868 -0.902 1.00 5.22 H new ATOM 0 HG23 THR A 39 -12.222 21.597 -1.997 1.00 5.22 H new ATOM 567 N THR A 40 -13.841 20.273 2.634 1.00 5.20 N ATOM 568 CA THR A 40 -14.519 20.355 3.924 1.00 5.70 C ATOM 569 C THR A 40 -13.578 19.972 5.064 1.00 5.69 C ATOM 570 O THR A 40 -14.003 19.822 6.210 1.00 6.22 O ATOM 571 CB THR A 40 -15.762 19.444 3.964 1.00 6.36 C ATOM 572 OG1 THR A 40 -16.417 19.560 5.234 1.00 6.91 O ATOM 573 CG2 THR A 40 -15.380 17.993 3.716 1.00 6.50 C ATOM 0 H THR A 40 -12.992 19.708 2.639 1.00 5.20 H new ATOM 0 HA THR A 40 -14.835 21.390 4.052 1.00 5.70 H new ATOM 0 HB THR A 40 -16.442 19.764 3.175 1.00 6.36 H new ATOM 0 HG1 THR A 40 -15.768 19.842 5.912 1.00 6.91 H new ATOM 0 HG21 THR A 40 -16.274 17.371 3.749 1.00 6.50 H new ATOM 0 HG22 THR A 40 -14.911 17.903 2.736 1.00 6.50 H new ATOM 0 HG23 THR A 40 -14.680 17.664 4.485 1.00 6.50 H new ATOM 581 N GLY A 41 -12.298 19.818 4.740 1.00 5.25 N ATOM 582 CA GLY A 41 -11.316 19.454 5.746 1.00 5.36 C ATOM 583 C GLY A 41 -10.248 18.526 5.202 1.00 4.81 C ATOM 584 O GLY A 41 -9.409 18.938 4.400 1.00 4.96 O ATOM 0 H GLY A 41 -11.923 19.939 3.799 1.00 5.25 H new ATOM 0 HA2 GLY A 41 -10.845 20.357 6.134 1.00 5.36 H new ATOM 0 HA3 GLY A 41 -11.820 18.972 6.584 1.00 5.36 H new ATOM 588 N GLU A 42 -10.282 17.272 5.639 1.00 4.49 N ATOM 589 CA GLU A 42 -9.310 16.281 5.191 1.00 4.09 C ATOM 590 C GLU A 42 -9.942 15.313 4.197 1.00 3.18 C ATOM 591 O GLU A 42 -11.054 14.829 4.408 1.00 3.30 O ATOM 592 CB GLU A 42 -8.747 15.511 6.385 1.00 4.75 C ATOM 593 CG GLU A 42 -8.050 16.398 7.401 1.00 5.90 C ATOM 594 CD GLU A 42 -6.811 17.066 6.840 1.00 6.74 C ATOM 595 OE1 GLU A 42 -6.936 18.173 6.274 1.00 7.14 O ATOM 596 OE2 GLU A 42 -5.713 16.483 6.967 1.00 7.22 O ATOM 0 H GLU A 42 -10.971 16.918 6.302 1.00 4.49 H new ATOM 0 HA GLU A 42 -8.495 16.806 4.692 1.00 4.09 H new ATOM 0 HB2 GLU A 42 -9.559 14.975 6.878 1.00 4.75 H new ATOM 0 HB3 GLU A 42 -8.043 14.761 6.025 1.00 4.75 H new ATOM 0 HG2 GLU A 42 -8.745 17.163 7.747 1.00 5.90 H new ATOM 0 HG3 GLU A 42 -7.774 15.801 8.270 1.00 5.90 H new ATOM 603 N ALA A 43 -9.224 15.038 3.115 1.00 2.78 N ATOM 604 CA ALA A 43 -9.713 14.129 2.085 1.00 2.36 C ATOM 605 C ALA A 43 -8.572 13.634 1.203 1.00 2.13 C ATOM 606 O ALA A 43 -8.556 13.874 -0.006 1.00 2.67 O ATOM 607 CB ALA A 43 -10.778 14.815 1.242 1.00 3.05 C ATOM 0 H ALA A 43 -8.302 15.431 2.928 1.00 2.78 H new ATOM 0 HA ALA A 43 -10.156 13.263 2.577 1.00 2.36 H new ATOM 0 HB1 ALA A 43 -11.135 14.126 0.476 1.00 3.05 H new ATOM 0 HB2 ALA A 43 -11.611 15.113 1.879 1.00 3.05 H new ATOM 0 HB3 ALA A 43 -10.352 15.698 0.765 1.00 3.05 H new ATOM 613 N THR A 44 -7.617 12.939 1.815 1.00 1.84 N ATOM 614 CA THR A 44 -6.471 12.409 1.088 1.00 1.65 C ATOM 615 C THR A 44 -6.241 10.940 1.426 1.00 1.26 C ATOM 616 O THR A 44 -6.355 10.536 2.583 1.00 1.53 O ATOM 617 CB THR A 44 -5.189 13.202 1.402 1.00 2.07 C ATOM 618 OG1 THR A 44 -4.891 13.120 2.800 1.00 2.30 O ATOM 619 CG2 THR A 44 -5.346 14.660 0.999 1.00 2.53 C ATOM 0 H THR A 44 -7.616 12.730 2.813 1.00 1.84 H new ATOM 0 HA THR A 44 -6.697 12.506 0.026 1.00 1.65 H new ATOM 0 HB THR A 44 -4.369 12.767 0.830 1.00 2.07 H new ATOM 0 HG1 THR A 44 -4.073 13.626 2.990 1.00 2.30 H new ATOM 0 HG21 THR A 44 -4.429 15.202 1.230 1.00 2.53 H new ATOM 0 HG22 THR A 44 -5.545 14.722 -0.071 1.00 2.53 H new ATOM 0 HG23 THR A 44 -6.177 15.102 1.549 1.00 2.53 H new ATOM 627 N GLY A 45 -5.919 10.148 0.409 1.00 1.05 N ATOM 628 CA GLY A 45 -5.679 8.734 0.620 1.00 0.80 C ATOM 629 C GLY A 45 -4.413 8.249 -0.056 1.00 0.75 C ATOM 630 O GLY A 45 -4.227 8.449 -1.257 1.00 1.14 O ATOM 0 H GLY A 45 -5.820 10.461 -0.557 1.00 1.05 H new ATOM 0 HA2 GLY A 45 -5.613 8.536 1.690 1.00 0.80 H new ATOM 0 HA3 GLY A 45 -6.529 8.165 0.242 1.00 0.80 H new ATOM 634 N ILE A 46 -3.539 7.613 0.717 1.00 0.46 N ATOM 635 CA ILE A 46 -2.283 7.094 0.190 1.00 0.39 C ATOM 636 C ILE A 46 -2.461 5.677 -0.343 1.00 0.39 C ATOM 637 O ILE A 46 -2.194 4.699 0.358 1.00 0.57 O ATOM 638 CB ILE A 46 -1.178 7.098 1.268 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.036 8.493 1.884 1.00 0.65 C ATOM 640 CG2 ILE A 46 0.147 6.634 0.677 1.00 0.43 C ATOM 641 CD1 ILE A 46 -0.634 9.564 0.890 1.00 0.55 C ATOM 0 H ILE A 46 -3.678 7.444 1.713 1.00 0.46 H new ATOM 0 HA ILE A 46 -1.981 7.750 -0.626 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.463 6.402 2.057 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -1.983 8.775 2.344 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.294 8.454 2.681 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.914 6.643 1.451 1.00 0.43 H new ATOM 0 HG22 ILE A 46 0.037 5.622 0.287 1.00 0.43 H new ATOM 0 HG23 ILE A 46 0.439 7.304 -0.131 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.554 10.523 1.401 1.00 0.55 H new ATOM 0 HD12 ILE A 46 0.329 9.307 0.448 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.387 9.633 0.105 1.00 0.55 H new ATOM 653 N TYR A 47 -2.919 5.573 -1.586 1.00 0.30 N ATOM 654 CA TYR A 47 -3.140 4.276 -2.213 1.00 0.30 C ATOM 655 C TYR A 47 -2.250 4.107 -3.440 1.00 0.26 C ATOM 656 O TYR A 47 -2.095 5.029 -4.241 1.00 0.29 O ATOM 657 CB TYR A 47 -4.612 4.120 -2.605 1.00 0.36 C ATOM 658 CG TYR A 47 -5.083 5.132 -3.626 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.454 6.415 -3.243 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.156 4.804 -4.974 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.887 7.341 -4.175 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.585 5.724 -5.911 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.951 6.995 -5.502 1.00 0.58 C ATOM 664 OH TYR A 47 -6.378 7.910 -6.436 1.00 0.70 O ATOM 0 H TYR A 47 -3.144 6.372 -2.179 1.00 0.30 H new ATOM 0 HA TYR A 47 -2.881 3.501 -1.492 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.768 3.117 -3.003 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.228 4.207 -1.710 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.404 6.694 -2.201 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.872 3.813 -5.295 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -6.174 8.333 -3.860 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.635 5.454 -6.955 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.361 7.501 -7.326 1.00 0.70 H new ATOM 674 N VAL A 48 -1.663 2.921 -3.578 1.00 0.26 N ATOM 675 CA VAL A 48 -0.790 2.628 -4.708 1.00 0.25 C ATOM 676 C VAL A 48 -1.581 2.604 -6.011 1.00 0.28 C ATOM 677 O VAL A 48 -2.390 1.703 -6.243 1.00 0.39 O ATOM 678 CB VAL A 48 -0.070 1.278 -4.527 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.836 0.985 -5.712 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.725 1.270 -3.229 1.00 0.29 C ATOM 0 H VAL A 48 -1.777 2.149 -2.921 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.043 3.421 -4.752 1.00 0.25 H new ATOM 0 HB VAL A 48 -0.824 0.492 -4.476 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.334 0.027 -5.561 1.00 0.29 H new ATOM 0 HG12 VAL A 48 0.241 0.945 -6.624 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.584 1.772 -5.801 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.228 0.309 -3.116 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.468 2.068 -3.252 1.00 0.29 H new ATOM 0 HG23 VAL A 48 0.050 1.427 -2.388 1.00 0.29 H new ATOM 690 N LYS A 49 -1.342 3.603 -6.857 1.00 0.31 N ATOM 691 CA LYS A 49 -2.027 3.706 -8.139 1.00 0.38 C ATOM 692 C LYS A 49 -1.294 2.907 -9.213 1.00 0.32 C ATOM 693 O LYS A 49 -1.908 2.422 -10.163 1.00 0.37 O ATOM 694 CB LYS A 49 -2.139 5.173 -8.563 1.00 0.49 C ATOM 695 CG LYS A 49 -2.924 5.381 -9.848 1.00 0.61 C ATOM 696 CD LYS A 49 -2.988 6.852 -10.228 1.00 0.84 C ATOM 697 CE LYS A 49 -3.815 7.070 -11.485 1.00 1.65 C ATOM 698 NZ LYS A 49 -3.252 6.342 -12.655 1.00 2.40 N ATOM 0 H LYS A 49 -0.676 4.354 -6.675 1.00 0.31 H new ATOM 0 HA LYS A 49 -3.028 3.291 -8.024 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -2.615 5.738 -7.762 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.137 5.583 -8.690 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.459 4.815 -10.655 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -3.935 4.991 -9.726 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -3.419 7.423 -9.405 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -1.979 7.232 -10.385 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -4.838 6.737 -11.309 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -3.861 8.136 -11.709 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -3.716 6.672 -13.525 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -2.230 6.523 -12.717 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -3.417 5.321 -12.541 1.00 2.40 H new ATOM 712 N SER A 50 0.020 2.775 -9.056 1.00 0.28 N ATOM 713 CA SER A 50 0.829 2.035 -10.018 1.00 0.35 C ATOM 714 C SER A 50 2.087 1.469 -9.365 1.00 0.28 C ATOM 715 O SER A 50 2.433 1.827 -8.238 1.00 0.25 O ATOM 716 CB SER A 50 1.214 2.936 -11.192 1.00 0.49 C ATOM 717 OG SER A 50 1.930 4.075 -10.749 1.00 1.28 O ATOM 0 H SER A 50 0.545 3.169 -8.275 1.00 0.28 H new ATOM 0 HA SER A 50 0.230 1.202 -10.385 1.00 0.35 H new ATOM 0 HB2 SER A 50 1.822 2.374 -11.901 1.00 0.49 H new ATOM 0 HB3 SER A 50 0.315 3.251 -11.722 1.00 0.49 H new ATOM 0 HG SER A 50 2.165 4.633 -11.519 1.00 1.28 H new ATOM 723 N LEU A 51 2.764 0.581 -10.085 1.00 0.32 N ATOM 724 CA LEU A 51 3.984 -0.044 -9.588 1.00 0.27 C ATOM 725 C LEU A 51 5.144 0.186 -10.552 1.00 0.27 C ATOM 726 O LEU A 51 4.941 0.576 -11.703 1.00 0.42 O ATOM 727 CB LEU A 51 3.765 -1.544 -9.389 1.00 0.30 C ATOM 728 CG LEU A 51 2.756 -1.916 -8.300 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.435 -3.401 -8.358 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.290 -1.542 -6.926 1.00 0.32 C ATOM 0 H LEU A 51 2.487 0.277 -11.018 1.00 0.32 H new ATOM 0 HA LEU A 51 4.234 0.413 -8.630 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.432 -1.975 -10.333 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.722 -2.006 -9.148 1.00 0.30 H new ATOM 0 HG LEU A 51 1.838 -1.356 -8.477 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.716 -3.649 -7.577 1.00 0.40 H new ATOM 0 HD12 LEU A 51 2.010 -3.644 -9.332 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.348 -3.977 -8.207 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.559 -1.814 -6.165 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.222 -2.075 -6.740 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.472 -0.468 -6.886 1.00 0.32 H new ATOM 742 N ILE A 52 6.358 -0.061 -10.074 1.00 0.24 N ATOM 743 CA ILE A 52 7.553 0.114 -10.890 1.00 0.24 C ATOM 744 C ILE A 52 8.211 -1.233 -11.193 1.00 0.23 C ATOM 745 O ILE A 52 8.804 -1.848 -10.308 1.00 0.28 O ATOM 746 CB ILE A 52 8.578 1.026 -10.188 1.00 0.27 C ATOM 747 CG1 ILE A 52 7.932 2.359 -9.792 1.00 0.36 C ATOM 748 CG2 ILE A 52 9.786 1.259 -11.085 1.00 0.31 C ATOM 749 CD1 ILE A 52 7.392 3.154 -10.966 1.00 1.26 C ATOM 0 H ILE A 52 6.541 -0.384 -9.124 1.00 0.24 H new ATOM 0 HA ILE A 52 7.238 0.581 -11.823 1.00 0.24 H new ATOM 0 HB ILE A 52 8.917 0.528 -9.279 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.118 2.164 -9.093 1.00 0.36 H new ATOM 0 HG13 ILE A 52 8.668 2.965 -9.263 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.500 1.905 -10.574 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.260 0.304 -11.313 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.465 1.735 -12.011 1.00 0.31 H new ATOM 0 HD11 ILE A 52 6.951 4.083 -10.604 1.00 1.26 H new ATOM 0 HD12 ILE A 52 8.205 3.382 -11.655 1.00 1.26 H new ATOM 0 HD13 ILE A 52 6.632 2.569 -11.483 1.00 1.26 H new ATOM 761 N PRO A 53 8.118 -1.715 -12.450 1.00 0.31 N ATOM 762 CA PRO A 53 8.712 -2.997 -12.847 1.00 0.35 C ATOM 763 C PRO A 53 10.224 -3.017 -12.656 1.00 0.34 C ATOM 764 O PRO A 53 10.923 -2.087 -13.058 1.00 0.46 O ATOM 765 CB PRO A 53 8.361 -3.122 -14.335 1.00 0.43 C ATOM 766 CG PRO A 53 8.031 -1.736 -14.776 1.00 0.82 C ATOM 767 CD PRO A 53 7.436 -1.056 -13.579 1.00 0.47 C ATOM 0 HA PRO A 53 8.333 -3.820 -12.240 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.197 -3.528 -14.904 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.517 -3.795 -14.485 1.00 0.43 H new ATOM 0 HG2 PRO A 53 8.923 -1.212 -15.120 1.00 0.82 H new ATOM 0 HG3 PRO A 53 7.328 -1.748 -15.609 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.622 0.018 -13.591 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.356 -1.192 -13.533 1.00 0.47 H new ATOM 775 N GLY A 54 10.722 -4.084 -12.037 1.00 0.39 N ATOM 776 CA GLY A 54 12.148 -4.209 -11.803 1.00 0.41 C ATOM 777 C GLY A 54 12.520 -3.995 -10.349 1.00 0.39 C ATOM 778 O GLY A 54 13.660 -4.237 -9.951 1.00 0.49 O ATOM 0 H GLY A 54 10.162 -4.864 -11.694 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.479 -5.199 -12.117 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.679 -3.485 -12.421 1.00 0.41 H new ATOM 782 N SER A 55 11.557 -3.542 -9.552 1.00 0.35 N ATOM 783 CA SER A 55 11.791 -3.295 -8.134 1.00 0.35 C ATOM 784 C SER A 55 11.450 -4.525 -7.301 1.00 0.32 C ATOM 785 O SER A 55 11.153 -5.589 -7.842 1.00 0.36 O ATOM 786 CB SER A 55 10.961 -2.103 -7.660 1.00 0.37 C ATOM 787 OG SER A 55 9.575 -2.378 -7.764 1.00 1.23 O ATOM 0 H SER A 55 10.608 -3.339 -9.864 1.00 0.35 H new ATOM 0 HA SER A 55 12.850 -3.071 -8.002 1.00 0.35 H new ATOM 0 HB2 SER A 55 11.212 -1.868 -6.626 1.00 0.37 H new ATOM 0 HB3 SER A 55 11.207 -1.224 -8.255 1.00 0.37 H new ATOM 0 HG SER A 55 9.255 -2.117 -8.653 1.00 1.23 H new ATOM 793 N ALA A 56 11.491 -4.372 -5.982 1.00 0.35 N ATOM 794 CA ALA A 56 11.185 -5.471 -5.076 1.00 0.36 C ATOM 795 C ALA A 56 9.697 -5.807 -5.097 1.00 0.32 C ATOM 796 O ALA A 56 9.314 -6.962 -5.293 1.00 0.34 O ATOM 797 CB ALA A 56 11.629 -5.125 -3.662 1.00 0.42 C ATOM 0 H ALA A 56 11.733 -3.497 -5.517 1.00 0.35 H new ATOM 0 HA ALA A 56 11.732 -6.351 -5.415 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.395 -5.954 -2.994 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.704 -4.943 -3.652 1.00 0.42 H new ATOM 0 HB3 ALA A 56 11.107 -4.229 -3.326 1.00 0.42 H new ATOM 803 N ALA A 57 8.863 -4.790 -4.895 1.00 0.30 N ATOM 804 CA ALA A 57 7.415 -4.973 -4.882 1.00 0.30 C ATOM 805 C ALA A 57 6.915 -5.584 -6.189 1.00 0.30 C ATOM 806 O ALA A 57 6.067 -6.477 -6.183 1.00 0.35 O ATOM 807 CB ALA A 57 6.723 -3.643 -4.626 1.00 0.32 C ATOM 0 H ALA A 57 9.166 -3.829 -4.738 1.00 0.30 H new ATOM 0 HA ALA A 57 7.173 -5.666 -4.077 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.643 -3.790 -4.618 1.00 0.32 H new ATOM 0 HB2 ALA A 57 7.042 -3.246 -3.662 1.00 0.32 H new ATOM 0 HB3 ALA A 57 6.987 -2.938 -5.414 1.00 0.32 H new ATOM 813 N ALA A 58 7.446 -5.099 -7.306 1.00 0.31 N ATOM 814 CA ALA A 58 7.046 -5.591 -8.621 1.00 0.33 C ATOM 815 C ALA A 58 7.448 -7.048 -8.825 1.00 0.34 C ATOM 816 O ALA A 58 6.617 -7.886 -9.179 1.00 0.44 O ATOM 817 CB ALA A 58 7.651 -4.719 -9.710 1.00 0.37 C ATOM 0 H ALA A 58 8.155 -4.366 -7.328 1.00 0.31 H new ATOM 0 HA ALA A 58 5.959 -5.539 -8.680 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.347 -5.094 -10.687 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.302 -3.693 -9.590 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.738 -4.744 -9.634 1.00 0.37 H new ATOM 823 N LEU A 59 8.724 -7.345 -8.605 1.00 0.35 N ATOM 824 CA LEU A 59 9.235 -8.702 -8.776 1.00 0.39 C ATOM 825 C LEU A 59 8.592 -9.669 -7.785 1.00 0.42 C ATOM 826 O LEU A 59 8.610 -10.883 -7.991 1.00 0.57 O ATOM 827 CB LEU A 59 10.757 -8.722 -8.611 1.00 0.47 C ATOM 828 CG LEU A 59 11.538 -7.934 -9.666 1.00 0.53 C ATOM 829 CD1 LEU A 59 13.027 -7.961 -9.355 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.273 -8.491 -11.057 1.00 0.61 C ATOM 0 H LEU A 59 9.424 -6.665 -8.308 1.00 0.35 H new ATOM 0 HA LEU A 59 8.978 -9.028 -9.784 1.00 0.39 H new ATOM 0 HB2 LEU A 59 11.005 -8.325 -7.627 1.00 0.47 H new ATOM 0 HB3 LEU A 59 11.095 -9.758 -8.631 1.00 0.47 H new ATOM 0 HG LEU A 59 11.199 -6.898 -9.642 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.568 -7.396 -10.115 1.00 0.66 H new ATOM 0 HD12 LEU A 59 13.203 -7.514 -8.377 1.00 0.66 H new ATOM 0 HD13 LEU A 59 13.379 -8.993 -9.351 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.837 -7.917 -11.792 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.583 -9.535 -11.096 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.209 -8.420 -11.281 1.00 0.61 H new ATOM 842 N ASP A 60 8.028 -9.126 -6.710 1.00 0.44 N ATOM 843 CA ASP A 60 7.383 -9.946 -5.690 1.00 0.52 C ATOM 844 C ASP A 60 6.276 -10.801 -6.300 1.00 0.61 C ATOM 845 O ASP A 60 6.208 -12.008 -6.061 1.00 0.79 O ATOM 846 CB ASP A 60 6.809 -9.063 -4.582 1.00 0.74 C ATOM 847 CG ASP A 60 6.314 -9.869 -3.398 1.00 1.08 C ATOM 848 OD1 ASP A 60 5.179 -10.381 -3.463 1.00 1.86 O ATOM 849 OD2 ASP A 60 7.065 -9.988 -2.407 1.00 1.32 O ATOM 0 H ASP A 60 8.005 -8.124 -6.523 1.00 0.44 H new ATOM 0 HA ASP A 60 8.136 -10.608 -5.263 1.00 0.52 H new ATOM 0 HB2 ASP A 60 7.574 -8.362 -4.247 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.987 -8.470 -4.983 1.00 0.74 H new ATOM 854 N GLY A 61 5.411 -10.170 -7.090 1.00 0.72 N ATOM 855 CA GLY A 61 4.324 -10.891 -7.728 1.00 1.06 C ATOM 856 C GLY A 61 3.020 -10.790 -6.961 1.00 0.83 C ATOM 857 O GLY A 61 1.957 -10.613 -7.555 1.00 0.94 O ATOM 0 H GLY A 61 5.444 -9.172 -7.299 1.00 0.72 H new ATOM 0 HA2 GLY A 61 4.178 -10.502 -8.736 1.00 1.06 H new ATOM 0 HA3 GLY A 61 4.600 -11.941 -7.829 1.00 1.06 H new ATOM 861 N ARG A 62 3.099 -10.906 -5.639 1.00 0.63 N ATOM 862 CA ARG A 62 1.912 -10.832 -4.793 1.00 0.59 C ATOM 863 C ARG A 62 1.350 -9.413 -4.754 1.00 0.52 C ATOM 864 O ARG A 62 0.179 -9.210 -4.431 1.00 0.69 O ATOM 865 CB ARG A 62 2.239 -11.304 -3.375 1.00 0.67 C ATOM 866 CG ARG A 62 2.752 -12.732 -3.311 1.00 0.81 C ATOM 867 CD ARG A 62 2.981 -13.177 -1.876 1.00 1.05 C ATOM 868 NE ARG A 62 1.749 -13.140 -1.090 1.00 1.31 N ATOM 869 CZ ARG A 62 1.649 -13.614 0.148 1.00 1.93 C ATOM 870 NH1 ARG A 62 2.704 -14.158 0.740 1.00 2.26 N ATOM 871 NH2 ARG A 62 0.494 -13.543 0.795 1.00 2.59 N ATOM 0 H ARG A 62 3.971 -11.051 -5.131 1.00 0.63 H new ATOM 0 HA ARG A 62 1.154 -11.488 -5.222 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.987 -10.639 -2.943 1.00 0.67 H new ATOM 0 HB3 ARG A 62 1.344 -11.221 -2.758 1.00 0.67 H new ATOM 0 HG2 ARG A 62 2.035 -13.399 -3.790 1.00 0.81 H new ATOM 0 HG3 ARG A 62 3.684 -12.810 -3.871 1.00 0.81 H new ATOM 0 HD2 ARG A 62 3.385 -14.189 -1.870 1.00 1.05 H new ATOM 0 HD3 ARG A 62 3.728 -12.533 -1.411 1.00 1.05 H new ATOM 0 HE ARG A 62 0.919 -12.727 -1.516 1.00 1.31 H new ATOM 0 HH11 ARG A 62 3.594 -14.213 0.245 1.00 2.26 H new ATOM 0 HH12 ARG A 62 2.625 -14.521 1.690 1.00 2.26 H new ATOM 0 HH21 ARG A 62 -0.319 -13.124 0.343 1.00 2.59 H new ATOM 0 HH22 ARG A 62 0.418 -13.907 1.745 1.00 2.59 H new ATOM 885 N ILE A 63 2.189 -8.434 -5.082 1.00 0.48 N ATOM 886 CA ILE A 63 1.766 -7.038 -5.082 1.00 0.48 C ATOM 887 C ILE A 63 0.850 -6.749 -6.266 1.00 0.49 C ATOM 888 O ILE A 63 1.136 -7.145 -7.396 1.00 0.59 O ATOM 889 CB ILE A 63 2.974 -6.080 -5.129 1.00 0.58 C ATOM 890 CG1 ILE A 63 3.962 -6.409 -4.005 1.00 0.66 C ATOM 891 CG2 ILE A 63 2.511 -4.632 -5.031 1.00 0.66 C ATOM 892 CD1 ILE A 63 3.381 -6.259 -2.614 1.00 0.92 C ATOM 0 H ILE A 63 3.162 -8.581 -5.350 1.00 0.48 H new ATOM 0 HA ILE A 63 1.222 -6.869 -4.153 1.00 0.48 H new ATOM 0 HB ILE A 63 3.484 -6.212 -6.083 1.00 0.58 H new ATOM 0 HG12 ILE A 63 4.315 -7.432 -4.132 1.00 0.66 H new ATOM 0 HG13 ILE A 63 4.832 -5.758 -4.097 1.00 0.66 H new ATOM 0 HG21 ILE A 63 3.376 -3.970 -5.066 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.847 -4.405 -5.865 1.00 0.66 H new ATOM 0 HG23 ILE A 63 1.978 -4.483 -4.092 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.141 -6.509 -1.873 1.00 0.92 H new ATOM 0 HD12 ILE A 63 3.054 -5.230 -2.465 1.00 0.92 H new ATOM 0 HD13 ILE A 63 2.529 -6.930 -2.501 1.00 0.92 H new ATOM 904 N GLU A 64 -0.250 -6.055 -5.998 1.00 0.51 N ATOM 905 CA GLU A 64 -1.214 -5.714 -7.037 1.00 0.58 C ATOM 906 C GLU A 64 -1.546 -4.221 -6.998 1.00 0.56 C ATOM 907 O GLU A 64 -1.739 -3.654 -5.923 1.00 0.66 O ATOM 908 CB GLU A 64 -2.491 -6.539 -6.857 1.00 0.79 C ATOM 909 CG GLU A 64 -3.551 -6.270 -7.915 1.00 1.09 C ATOM 910 CD GLU A 64 -4.768 -7.161 -7.760 1.00 1.39 C ATOM 911 OE1 GLU A 64 -4.763 -8.276 -8.323 1.00 1.67 O ATOM 912 OE2 GLU A 64 -5.726 -6.744 -7.076 1.00 1.98 O ATOM 0 H GLU A 64 -0.497 -5.717 -5.068 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.772 -5.944 -8.007 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.234 -7.598 -6.875 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -2.912 -6.330 -5.873 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -3.860 -5.226 -7.858 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -3.118 -6.421 -8.904 1.00 1.09 H new ATOM 919 N PRO A 65 -1.612 -3.559 -8.172 1.00 0.56 N ATOM 920 CA PRO A 65 -1.928 -2.129 -8.251 1.00 0.64 C ATOM 921 C PRO A 65 -3.354 -1.828 -7.803 1.00 0.72 C ATOM 922 O PRO A 65 -4.167 -2.738 -7.640 1.00 1.44 O ATOM 923 CB PRO A 65 -1.752 -1.798 -9.736 1.00 0.77 C ATOM 924 CG PRO A 65 -1.918 -3.099 -10.441 1.00 0.83 C ATOM 925 CD PRO A 65 -1.380 -4.145 -9.507 1.00 0.62 C ATOM 0 HA PRO A 65 -1.290 -1.537 -7.595 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -2.493 -1.071 -10.069 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -0.771 -1.366 -9.931 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -2.966 -3.286 -10.674 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -1.375 -3.103 -11.386 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -1.900 -5.096 -9.625 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.322 -4.336 -9.684 1.00 0.62 H new ATOM 933 N ASN A 66 -3.647 -0.545 -7.612 1.00 0.60 N ATOM 934 CA ASN A 66 -4.973 -0.110 -7.179 1.00 0.59 C ATOM 935 C ASN A 66 -5.306 -0.687 -5.806 1.00 0.51 C ATOM 936 O ASN A 66 -6.317 -1.369 -5.632 1.00 0.73 O ATOM 937 CB ASN A 66 -6.038 -0.522 -8.200 1.00 0.66 C ATOM 938 CG ASN A 66 -7.398 0.072 -7.891 1.00 1.34 C ATOM 939 OD1 ASN A 66 -7.500 1.155 -7.314 1.00 2.15 O ATOM 940 ND2 ASN A 66 -8.455 -0.635 -8.275 1.00 2.01 N ATOM 0 H ASN A 66 -2.981 0.215 -7.751 1.00 0.60 H new ATOM 0 HA ASN A 66 -4.966 0.978 -7.106 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -5.725 -0.206 -9.195 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -6.116 -1.609 -8.221 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -9.396 -0.285 -8.094 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -8.326 -1.528 -8.751 1.00 2.01 H new ATOM 947 N ASP A 67 -4.442 -0.411 -4.833 1.00 0.36 N ATOM 948 CA ASP A 67 -4.641 -0.895 -3.470 1.00 0.34 C ATOM 949 C ASP A 67 -4.451 0.234 -2.465 1.00 0.30 C ATOM 950 O ASP A 67 -3.678 1.163 -2.702 1.00 0.38 O ATOM 951 CB ASP A 67 -3.672 -2.039 -3.161 1.00 0.41 C ATOM 952 CG ASP A 67 -4.084 -3.338 -3.823 1.00 1.17 C ATOM 953 OD1 ASP A 67 -4.197 -3.363 -5.066 1.00 2.02 O ATOM 954 OD2 ASP A 67 -4.298 -4.332 -3.097 1.00 1.46 O ATOM 0 H ASP A 67 -3.597 0.145 -4.963 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.662 -1.267 -3.388 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -2.672 -1.765 -3.496 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -3.618 -2.185 -2.082 1.00 0.41 H new ATOM 959 N LYS A 68 -5.157 0.149 -1.342 1.00 0.27 N ATOM 960 CA LYS A 68 -5.066 1.173 -0.308 1.00 0.28 C ATOM 961 C LYS A 68 -4.082 0.768 0.785 1.00 0.26 C ATOM 962 O LYS A 68 -4.284 -0.232 1.476 1.00 0.38 O ATOM 963 CB LYS A 68 -6.445 1.435 0.300 1.00 0.37 C ATOM 964 CG LYS A 68 -6.444 2.524 1.360 1.00 0.53 C ATOM 965 CD LYS A 68 -7.849 2.819 1.858 1.00 0.53 C ATOM 966 CE LYS A 68 -7.841 3.878 2.948 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.211 4.171 3.449 1.00 1.02 N ATOM 0 H LYS A 68 -5.796 -0.616 -1.125 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.700 2.088 -0.773 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.137 1.714 -0.495 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.821 0.511 0.740 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.817 2.217 2.197 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.004 3.433 0.949 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.468 3.156 1.026 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.300 1.904 2.241 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.216 3.542 3.776 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.393 4.793 2.561 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.161 4.898 4.191 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.801 4.516 2.665 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.630 3.304 3.842 1.00 1.02 H new ATOM 981 N ILE A 69 -3.019 1.551 0.936 1.00 0.24 N ATOM 982 CA ILE A 69 -2.006 1.279 1.950 1.00 0.21 C ATOM 983 C ILE A 69 -2.489 1.721 3.327 1.00 0.21 C ATOM 984 O ILE A 69 -3.060 2.802 3.477 1.00 0.29 O ATOM 985 CB ILE A 69 -0.677 1.995 1.631 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.183 1.620 0.229 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.375 1.659 2.679 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.074 0.139 0.046 1.00 0.28 C ATOM 0 H ILE A 69 -2.836 2.379 0.369 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.835 0.203 1.948 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.853 3.071 1.653 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -0.921 1.944 -0.505 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.736 2.167 0.020 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.306 2.173 2.438 1.00 0.23 H new ATOM 0 HG22 ILE A 69 0.027 1.981 3.660 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.547 0.583 2.690 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.421 -0.047 -0.970 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.835 -0.189 0.755 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.848 -0.415 0.222 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.256 0.879 4.326 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.666 1.182 5.691 1.00 0.21 C ATOM 1002 C LEU A 70 -1.457 1.525 6.556 1.00 0.20 C ATOM 1003 O LEU A 70 -1.360 2.624 7.104 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.418 -0.008 6.295 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.688 -0.424 5.550 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.253 -1.705 6.139 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.727 0.688 5.598 1.00 0.38 C ATOM 0 H LEU A 70 -1.785 -0.019 4.216 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.329 2.047 5.663 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.742 -0.862 6.333 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.683 0.235 7.324 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.430 -0.607 4.507 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.156 -1.987 5.598 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.514 -2.502 6.053 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.495 -1.547 7.190 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.623 0.373 5.063 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -5.982 0.904 6.636 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.322 1.585 5.130 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.535 0.577 6.673 1.00 0.20 N ATOM 1020 CA ARG A 71 0.664 0.784 7.474 1.00 0.25 C ATOM 1021 C ARG A 71 1.813 -0.093 6.991 1.00 0.18 C ATOM 1022 O ARG A 71 1.628 -1.270 6.675 1.00 0.26 O ATOM 1023 CB ARG A 71 0.372 0.499 8.949 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.234 -0.871 9.196 1.00 0.91 C ATOM 1025 CD ARG A 71 -0.450 -1.125 10.679 1.00 0.77 C ATOM 1026 NE ARG A 71 0.811 -1.175 11.414 1.00 1.38 N ATOM 1027 CZ ARG A 71 0.912 -1.567 12.681 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -0.169 -1.937 13.354 1.00 1.17 N ATOM 1029 NH2 ARG A 71 2.097 -1.588 13.275 1.00 2.61 N ATOM 0 H ARG A 71 -0.594 -0.338 6.226 1.00 0.20 H new ATOM 0 HA ARG A 71 0.964 1.826 7.362 1.00 0.25 H new ATOM 0 HB2 ARG A 71 1.298 0.585 9.517 1.00 0.38 H new ATOM 0 HB3 ARG A 71 -0.307 1.261 9.330 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -1.185 -0.949 8.670 1.00 0.91 H new ATOM 0 HG3 ARG A 71 0.421 -1.639 8.786 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -1.081 -0.338 11.094 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -0.985 -2.065 10.812 1.00 0.77 H new ATOM 0 HE ARG A 71 1.663 -0.893 10.928 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -1.082 -1.922 12.900 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -0.087 -2.237 14.325 1.00 1.17 H new ATOM 0 HH21 ARG A 71 2.931 -1.304 12.760 1.00 2.61 H new ATOM 0 HH22 ARG A 71 2.175 -1.888 14.247 1.00 2.61 H new ATOM 1043 N VAL A 72 3.000 0.499 6.929 1.00 0.21 N ATOM 1044 CA VAL A 72 4.195 -0.209 6.497 1.00 0.17 C ATOM 1045 C VAL A 72 4.854 -0.903 7.687 1.00 0.17 C ATOM 1046 O VAL A 72 4.392 -0.769 8.819 1.00 0.20 O ATOM 1047 CB VAL A 72 5.205 0.753 5.836 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.180 -0.005 4.947 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.477 1.828 5.041 1.00 0.28 C ATOM 0 H VAL A 72 3.159 1.476 7.175 1.00 0.21 H new ATOM 0 HA VAL A 72 3.894 -0.954 5.760 1.00 0.17 H new ATOM 0 HB VAL A 72 5.778 1.237 6.627 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.880 0.697 4.494 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.730 -0.731 5.546 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.629 -0.525 4.163 1.00 0.22 H new ATOM 0 HG21 VAL A 72 5.205 2.497 4.582 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.874 1.360 4.263 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.830 2.398 5.708 1.00 0.28 H new ATOM 1059 N ASP A 73 5.913 -1.661 7.424 1.00 0.18 N ATOM 1060 CA ASP A 73 6.633 -2.370 8.477 1.00 0.21 C ATOM 1061 C ASP A 73 6.983 -1.444 9.643 1.00 0.22 C ATOM 1062 O ASP A 73 7.828 -0.560 9.515 1.00 0.23 O ATOM 1063 CB ASP A 73 7.910 -2.986 7.909 1.00 0.26 C ATOM 1064 CG ASP A 73 8.648 -3.834 8.928 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.275 -5.013 9.098 1.00 0.79 O ATOM 1066 OD2 ASP A 73 9.601 -3.319 9.550 1.00 0.56 O ATOM 0 H ASP A 73 6.293 -1.801 6.488 1.00 0.18 H new ATOM 0 HA ASP A 73 5.980 -3.156 8.855 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.660 -3.599 7.043 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.568 -2.191 7.557 1.00 0.26 H new ATOM 1071 N ASP A 74 6.321 -1.659 10.780 1.00 0.25 N ATOM 1072 CA ASP A 74 6.559 -0.862 11.984 1.00 0.29 C ATOM 1073 C ASP A 74 6.348 0.630 11.728 1.00 0.25 C ATOM 1074 O ASP A 74 6.896 1.472 12.440 1.00 0.29 O ATOM 1075 CB ASP A 74 7.976 -1.106 12.509 1.00 0.35 C ATOM 1076 CG ASP A 74 8.200 -2.548 12.920 1.00 1.20 C ATOM 1077 OD1 ASP A 74 8.588 -3.359 12.053 1.00 2.01 O ATOM 1078 OD2 ASP A 74 7.989 -2.866 14.109 1.00 1.34 O ATOM 0 H ASP A 74 5.611 -2.383 10.893 1.00 0.25 H new ATOM 0 HA ASP A 74 5.834 -1.178 12.735 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.698 -0.834 11.739 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.161 -0.455 13.363 1.00 0.35 H new ATOM 1083 N VAL A 75 5.553 0.949 10.714 1.00 0.27 N ATOM 1084 CA VAL A 75 5.267 2.339 10.371 1.00 0.27 C ATOM 1085 C VAL A 75 3.816 2.500 9.929 1.00 0.37 C ATOM 1086 O VAL A 75 3.253 1.613 9.289 1.00 0.79 O ATOM 1087 CB VAL A 75 6.194 2.849 9.248 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.905 4.310 8.935 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.655 2.663 9.628 1.00 0.41 C ATOM 0 H VAL A 75 5.094 0.264 10.114 1.00 0.27 H new ATOM 0 HA VAL A 75 5.444 2.931 11.269 1.00 0.27 H new ATOM 0 HB VAL A 75 5.997 2.260 8.352 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.569 4.650 8.141 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.869 4.415 8.612 1.00 0.40 H new ATOM 0 HG13 VAL A 75 6.069 4.913 9.828 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.290 3.029 8.822 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.868 3.221 10.540 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.856 1.605 9.795 1.00 0.41 H new ATOM 1099 N ASN A 76 3.213 3.632 10.276 1.00 0.30 N ATOM 1100 CA ASN A 76 1.827 3.903 9.911 1.00 0.37 C ATOM 1101 C ASN A 76 1.745 5.049 8.908 1.00 0.42 C ATOM 1102 O ASN A 76 2.450 6.050 9.039 1.00 0.58 O ATOM 1103 CB ASN A 76 1.008 4.247 11.156 1.00 0.46 C ATOM 1104 CG ASN A 76 1.511 5.498 11.850 1.00 1.35 C ATOM 1105 OD1 ASN A 76 1.069 6.607 11.550 1.00 2.24 O ATOM 1106 ND2 ASN A 76 2.441 5.326 12.781 1.00 2.08 N ATOM 0 H ASN A 76 3.662 4.377 10.809 1.00 0.30 H new ATOM 0 HA ASN A 76 1.417 3.005 9.449 1.00 0.37 H new ATOM 0 HB2 ASN A 76 -0.036 4.386 10.874 1.00 0.46 H new ATOM 0 HB3 ASN A 76 1.042 3.409 11.853 1.00 0.46 H new ATOM 0 HD21 ASN A 76 2.818 6.132 13.280 1.00 2.08 H new ATOM 0 HD22 ASN A 76 2.779 4.388 12.998 1.00 2.08 H new ATOM 1113 N VAL A 77 0.884 4.898 7.903 1.00 0.35 N ATOM 1114 CA VAL A 77 0.717 5.928 6.884 1.00 0.43 C ATOM 1115 C VAL A 77 -0.717 6.445 6.852 1.00 0.53 C ATOM 1116 O VAL A 77 -1.184 6.951 5.831 1.00 0.67 O ATOM 1117 CB VAL A 77 1.097 5.407 5.484 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.572 5.043 5.432 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.234 4.215 5.105 1.00 0.53 C ATOM 0 H VAL A 77 0.295 4.076 7.774 1.00 0.35 H new ATOM 0 HA VAL A 77 1.388 6.744 7.151 1.00 0.43 H new ATOM 0 HB VAL A 77 0.916 6.202 4.760 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.822 4.677 4.436 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.172 5.925 5.656 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.781 4.266 6.167 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.517 3.861 4.114 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.380 3.415 5.831 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.815 4.512 5.098 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.412 6.313 7.979 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.794 6.768 8.080 1.00 0.72 C ATOM 1131 C GLN A 78 -2.863 8.172 8.673 1.00 0.61 C ATOM 1132 O GLN A 78 -3.686 8.449 9.546 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.611 5.796 8.934 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.596 4.369 8.411 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.161 4.258 7.008 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -3.294 4.379 6.010 1.00 1.39 O flip ATOM 1137 NE2 GLN A 78 -5.363 4.065 6.825 1.00 1.05 N flip ATOM 0 H GLN A 78 -1.041 5.896 8.833 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.216 6.799 7.075 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.223 5.805 9.953 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.642 6.146 8.983 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.573 3.994 8.418 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.173 3.733 9.083 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -5.993 3.978 7.623 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -5.729 3.992 5.876 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.994 9.056 8.191 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.976 10.420 8.686 1.00 0.48 C ATOM 1148 C GLY A 79 -0.709 11.164 8.305 1.00 0.41 C ATOM 1149 O GLY A 79 -0.314 12.113 8.982 1.00 0.55 O ATOM 0 H GLY A 79 -1.304 8.852 7.468 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.840 10.956 8.293 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -2.074 10.410 9.772 1.00 0.48 H new ATOM 1153 N MET A 80 -0.071 10.734 7.221 1.00 0.32 N ATOM 1154 CA MET A 80 1.155 11.370 6.751 1.00 0.33 C ATOM 1155 C MET A 80 1.006 11.825 5.302 1.00 0.30 C ATOM 1156 O MET A 80 0.381 11.143 4.490 1.00 0.34 O ATOM 1157 CB MET A 80 2.339 10.408 6.875 1.00 0.39 C ATOM 1158 CG MET A 80 2.519 9.837 8.273 1.00 0.46 C ATOM 1159 SD MET A 80 4.120 9.032 8.492 1.00 0.52 S ATOM 1160 CE MET A 80 4.111 7.870 7.129 1.00 0.48 C ATOM 0 H MET A 80 -0.383 9.947 6.651 1.00 0.32 H new ATOM 0 HA MET A 80 1.343 12.244 7.374 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.204 9.587 6.171 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.251 10.929 6.585 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.416 10.638 9.005 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.724 9.118 8.473 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.354 6.874 7.499 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.123 7.856 6.670 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.851 8.173 6.388 1.00 0.48 H new ATOM 1170 N ALA A 81 1.582 12.981 4.986 1.00 0.29 N ATOM 1171 CA ALA A 81 1.510 13.527 3.634 1.00 0.31 C ATOM 1172 C ALA A 81 2.246 12.632 2.642 1.00 0.26 C ATOM 1173 O ALA A 81 3.050 11.788 3.036 1.00 0.23 O ATOM 1174 CB ALA A 81 2.078 14.937 3.599 1.00 0.39 C ATOM 0 H ALA A 81 2.103 13.557 5.647 1.00 0.29 H new ATOM 0 HA ALA A 81 0.461 13.566 3.341 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.017 15.329 2.584 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.505 15.577 4.270 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.120 14.917 3.918 1.00 0.39 H new ATOM 1180 N GLN A 82 1.965 12.825 1.356 1.00 0.33 N ATOM 1181 CA GLN A 82 2.595 12.033 0.303 1.00 0.35 C ATOM 1182 C GLN A 82 4.109 11.974 0.483 1.00 0.31 C ATOM 1183 O GLN A 82 4.698 10.893 0.506 1.00 0.31 O ATOM 1184 CB GLN A 82 2.256 12.619 -1.072 1.00 0.42 C ATOM 1185 CG GLN A 82 2.925 11.891 -2.228 1.00 0.51 C ATOM 1186 CD GLN A 82 2.582 12.497 -3.575 1.00 0.76 C ATOM 1187 OE1 GLN A 82 3.279 13.387 -4.063 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.503 12.017 -4.182 1.00 0.74 N ATOM 0 H GLN A 82 1.304 13.524 1.017 1.00 0.33 H new ATOM 0 HA GLN A 82 2.205 11.017 0.370 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.176 12.591 -1.213 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.553 13.668 -1.094 1.00 0.42 H new ATOM 0 HG2 GLN A 82 4.006 11.912 -2.089 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.622 10.844 -2.217 1.00 0.51 H new ATOM 0 HE21 GLN A 82 0.955 11.279 -3.740 1.00 0.74 H new ATOM 0 HE22 GLN A 82 1.222 12.386 -5.090 1.00 0.74 H new ATOM 1197 N SER A 83 4.728 13.142 0.617 1.00 0.32 N ATOM 1198 CA SER A 83 6.175 13.235 0.786 1.00 0.35 C ATOM 1199 C SER A 83 6.659 12.379 1.954 1.00 0.30 C ATOM 1200 O SER A 83 7.682 11.701 1.853 1.00 0.35 O ATOM 1201 CB SER A 83 6.585 14.692 1.006 1.00 0.44 C ATOM 1202 OG SER A 83 5.966 15.228 2.163 1.00 1.48 O ATOM 0 H SER A 83 4.248 14.042 0.612 1.00 0.32 H new ATOM 0 HA SER A 83 6.641 12.858 -0.124 1.00 0.35 H new ATOM 0 HB2 SER A 83 7.668 14.757 1.107 1.00 0.44 H new ATOM 0 HB3 SER A 83 6.310 15.286 0.134 1.00 0.44 H new ATOM 0 HG SER A 83 6.246 16.160 2.282 1.00 1.48 H new ATOM 1208 N ASP A 84 5.921 12.412 3.058 1.00 0.24 N ATOM 1209 CA ASP A 84 6.285 11.645 4.245 1.00 0.24 C ATOM 1210 C ASP A 84 6.283 10.144 3.963 1.00 0.20 C ATOM 1211 O ASP A 84 7.196 9.427 4.376 1.00 0.24 O ATOM 1212 CB ASP A 84 5.331 11.964 5.397 1.00 0.27 C ATOM 1213 CG ASP A 84 5.439 13.405 5.854 1.00 1.03 C ATOM 1214 OD1 ASP A 84 4.813 14.279 5.218 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.148 13.662 6.850 1.00 0.97 O ATOM 0 H ASP A 84 5.067 12.961 3.156 1.00 0.24 H new ATOM 0 HA ASP A 84 7.297 11.933 4.528 1.00 0.24 H new ATOM 0 HB2 ASP A 84 4.307 11.761 5.084 1.00 0.27 H new ATOM 0 HB3 ASP A 84 5.545 11.302 6.236 1.00 0.27 H new ATOM 1220 N VAL A 85 5.257 9.674 3.260 1.00 0.19 N ATOM 1221 CA VAL A 85 5.143 8.256 2.932 1.00 0.22 C ATOM 1222 C VAL A 85 6.318 7.792 2.078 1.00 0.21 C ATOM 1223 O VAL A 85 6.886 6.726 2.312 1.00 0.24 O ATOM 1224 CB VAL A 85 3.831 7.951 2.184 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.641 6.450 2.026 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.644 8.571 2.906 1.00 0.30 C ATOM 0 H VAL A 85 4.494 10.252 2.907 1.00 0.19 H new ATOM 0 HA VAL A 85 5.146 7.715 3.878 1.00 0.22 H new ATOM 0 HB VAL A 85 3.893 8.394 1.190 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.709 6.255 1.495 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.475 6.035 1.459 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.603 5.983 3.010 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.728 8.344 2.361 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.578 8.162 3.914 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.775 9.652 2.960 1.00 0.30 H new ATOM 1236 N VAL A 86 6.676 8.603 1.086 1.00 0.22 N ATOM 1237 CA VAL A 86 7.781 8.280 0.193 1.00 0.25 C ATOM 1238 C VAL A 86 9.087 8.128 0.966 1.00 0.24 C ATOM 1239 O VAL A 86 9.881 7.229 0.688 1.00 0.26 O ATOM 1240 CB VAL A 86 7.958 9.363 -0.888 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.100 9.003 -1.828 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.665 9.558 -1.663 1.00 0.34 C ATOM 0 H VAL A 86 6.215 9.490 0.882 1.00 0.22 H new ATOM 0 HA VAL A 86 7.537 7.332 -0.287 1.00 0.25 H new ATOM 0 HB VAL A 86 8.207 10.303 -0.395 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.208 9.781 -2.584 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.026 8.918 -1.260 1.00 0.37 H new ATOM 0 HG13 VAL A 86 8.885 8.052 -2.315 1.00 0.37 H new ATOM 0 HG21 VAL A 86 6.808 10.327 -2.422 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.384 8.621 -2.144 1.00 0.34 H new ATOM 0 HG23 VAL A 86 5.874 9.866 -0.979 1.00 0.34 H new ATOM 1252 N GLU A 87 9.302 9.011 1.935 1.00 0.25 N ATOM 1253 CA GLU A 87 10.514 8.974 2.747 1.00 0.26 C ATOM 1254 C GLU A 87 10.640 7.642 3.479 1.00 0.24 C ATOM 1255 O GLU A 87 11.715 7.044 3.514 1.00 0.26 O ATOM 1256 CB GLU A 87 10.515 10.128 3.753 1.00 0.32 C ATOM 1257 CG GLU A 87 10.643 11.498 3.105 1.00 0.75 C ATOM 1258 CD GLU A 87 10.573 12.629 4.113 1.00 1.04 C ATOM 1259 OE1 GLU A 87 11.578 12.859 4.817 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.511 13.281 4.200 1.00 1.51 O ATOM 0 H GLU A 87 8.654 9.760 2.178 1.00 0.25 H new ATOM 0 HA GLU A 87 11.370 9.082 2.081 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.593 10.094 4.333 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.338 9.988 4.454 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.589 11.554 2.567 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.849 11.623 2.369 1.00 0.75 H new ATOM 1267 N VAL A 88 9.534 7.183 4.057 1.00 0.22 N ATOM 1268 CA VAL A 88 9.517 5.921 4.793 1.00 0.22 C ATOM 1269 C VAL A 88 9.960 4.753 3.915 1.00 0.23 C ATOM 1270 O VAL A 88 10.913 4.045 4.244 1.00 0.25 O ATOM 1271 CB VAL A 88 8.112 5.620 5.351 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.055 4.217 5.941 1.00 0.26 C ATOM 1273 CG2 VAL A 88 7.719 6.658 6.390 1.00 0.27 C ATOM 0 H VAL A 88 8.636 7.666 4.030 1.00 0.22 H new ATOM 0 HA VAL A 88 10.220 6.032 5.619 1.00 0.22 H new ATOM 0 HB VAL A 88 7.398 5.670 4.529 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.054 4.026 6.329 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.290 3.487 5.166 1.00 0.26 H new ATOM 0 HG13 VAL A 88 8.780 4.133 6.750 1.00 0.26 H new ATOM 0 HG21 VAL A 88 6.724 6.430 6.774 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.437 6.642 7.210 1.00 0.27 H new ATOM 0 HG23 VAL A 88 7.714 7.647 5.932 1.00 0.27 H new ATOM 1283 N LEU A 89 9.258 4.559 2.805 1.00 0.24 N ATOM 1284 CA LEU A 89 9.561 3.469 1.883 1.00 0.28 C ATOM 1285 C LEU A 89 11.035 3.471 1.484 1.00 0.32 C ATOM 1286 O LEU A 89 11.635 2.414 1.290 1.00 0.39 O ATOM 1287 CB LEU A 89 8.683 3.573 0.634 1.00 0.32 C ATOM 1288 CG LEU A 89 7.180 3.434 0.883 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.398 3.773 -0.376 1.00 0.41 C ATOM 1290 CD2 LEU A 89 6.843 2.025 1.353 1.00 0.35 C ATOM 0 H LEU A 89 8.472 5.144 2.520 1.00 0.24 H new ATOM 0 HA LEU A 89 9.350 2.531 2.396 1.00 0.28 H new ATOM 0 HB2 LEU A 89 8.869 4.535 0.157 1.00 0.32 H new ATOM 0 HB3 LEU A 89 8.991 2.803 -0.073 1.00 0.32 H new ATOM 0 HG LEU A 89 6.896 4.136 1.667 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.331 3.669 -0.181 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.614 4.799 -0.673 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.688 3.094 -1.178 1.00 0.41 H new ATOM 0 HD21 LEU A 89 5.770 1.946 1.525 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.143 1.306 0.591 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.375 1.814 2.280 1.00 0.35 H new ATOM 1302 N ARG A 90 11.613 4.662 1.364 1.00 0.31 N ATOM 1303 CA ARG A 90 13.017 4.797 0.988 1.00 0.37 C ATOM 1304 C ARG A 90 13.931 4.514 2.176 1.00 0.37 C ATOM 1305 O ARG A 90 15.061 4.054 2.005 1.00 0.48 O ATOM 1306 CB ARG A 90 13.290 6.198 0.440 1.00 0.41 C ATOM 1307 CG ARG A 90 12.560 6.496 -0.860 1.00 0.49 C ATOM 1308 CD ARG A 90 12.895 7.884 -1.382 1.00 0.72 C ATOM 1309 NE ARG A 90 12.515 8.930 -0.439 1.00 1.00 N ATOM 1310 CZ ARG A 90 13.182 10.072 -0.297 1.00 1.59 C ATOM 1311 NH1 ARG A 90 14.269 10.302 -1.021 1.00 1.82 N ATOM 1312 NH2 ARG A 90 12.766 10.981 0.574 1.00 2.10 N ATOM 0 H ARG A 90 11.132 5.547 1.521 1.00 0.31 H new ATOM 0 HA ARG A 90 13.228 4.064 0.209 1.00 0.37 H new ATOM 0 HB2 ARG A 90 12.998 6.935 1.188 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.362 6.314 0.280 1.00 0.41 H new ATOM 0 HG2 ARG A 90 12.828 5.750 -1.608 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.485 6.416 -0.701 1.00 0.49 H new ATOM 0 HD2 ARG A 90 13.965 7.948 -1.582 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.383 8.048 -2.330 1.00 0.72 H new ATOM 0 HE ARG A 90 11.692 8.777 0.144 1.00 1.00 H new ATOM 0 HH11 ARG A 90 14.595 9.603 -1.688 1.00 1.82 H new ATOM 0 HH12 ARG A 90 14.779 11.178 -0.911 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.933 10.805 1.136 1.00 2.10 H new ATOM 0 HH22 ARG A 90 13.279 11.856 0.682 1.00 2.10 H new ATOM 1326 N ASN A 91 13.435 4.789 3.378 1.00 0.32 N ATOM 1327 CA ASN A 91 14.206 4.563 4.595 1.00 0.36 C ATOM 1328 C ASN A 91 14.352 3.071 4.876 1.00 0.36 C ATOM 1329 O ASN A 91 15.272 2.649 5.578 1.00 0.42 O ATOM 1330 CB ASN A 91 13.537 5.252 5.786 1.00 0.38 C ATOM 1331 CG ASN A 91 13.549 6.763 5.664 1.00 0.44 C ATOM 1332 OD1 ASN A 91 14.458 7.343 5.072 1.00 1.11 O ATOM 1333 ND2 ASN A 91 12.534 7.410 6.226 1.00 1.14 N ATOM 0 H ASN A 91 12.502 5.169 3.535 1.00 0.32 H new ATOM 0 HA ASN A 91 15.199 4.988 4.449 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.507 4.906 5.870 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.047 4.961 6.704 1.00 0.38 H new ATOM 0 HD21 ASN A 91 12.488 8.428 6.176 1.00 1.14 H new ATOM 0 HD22 ASN A 91 11.801 6.889 6.707 1.00 1.14 H new ATOM 1340 N ALA A 92 13.438 2.279 4.323 1.00 0.32 N ATOM 1341 CA ALA A 92 13.462 0.833 4.513 1.00 0.34 C ATOM 1342 C ALA A 92 14.781 0.233 4.033 1.00 0.46 C ATOM 1343 O ALA A 92 15.714 0.060 4.819 1.00 0.55 O ATOM 1344 CB ALA A 92 12.289 0.187 3.790 1.00 0.32 C ATOM 0 H ALA A 92 12.672 2.615 3.740 1.00 0.32 H new ATOM 0 HA ALA A 92 13.373 0.631 5.580 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.319 -0.892 3.940 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.354 0.583 4.187 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.353 0.407 2.724 1.00 0.32 H new ATOM 1350 N GLY A 93 14.854 -0.084 2.743 1.00 0.53 N ATOM 1351 CA GLY A 93 16.067 -0.663 2.189 1.00 0.68 C ATOM 1352 C GLY A 93 16.426 -1.987 2.837 1.00 0.66 C ATOM 1353 O GLY A 93 17.561 -2.452 2.730 1.00 0.76 O ATOM 0 H GLY A 93 14.097 0.049 2.072 1.00 0.53 H new ATOM 0 HA2 GLY A 93 15.939 -0.810 1.117 1.00 0.68 H new ATOM 0 HA3 GLY A 93 16.892 0.037 2.319 1.00 0.68 H new ATOM 1357 N ASN A 94 15.457 -2.589 3.520 1.00 0.54 N ATOM 1358 CA ASN A 94 15.666 -3.864 4.198 1.00 0.54 C ATOM 1359 C ASN A 94 14.382 -4.701 4.197 1.00 0.43 C ATOM 1360 O ASN A 94 13.350 -4.243 3.707 1.00 0.39 O ATOM 1361 CB ASN A 94 16.145 -3.603 5.631 1.00 0.59 C ATOM 1362 CG ASN A 94 17.648 -3.416 5.709 1.00 1.57 C ATOM 1363 OD1 ASN A 94 18.374 -4.100 4.832 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 18.149 -2.670 6.550 1.00 2.52 N flip ATOM 0 H ASN A 94 14.514 -2.212 3.619 1.00 0.54 H new ATOM 0 HA ASN A 94 16.428 -4.431 3.663 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.650 -2.714 6.021 1.00 0.59 H new ATOM 0 HB3 ASN A 94 15.851 -4.437 6.268 1.00 0.59 H new ATOM 0 HD21 ASN A 94 17.551 -2.164 7.204 1.00 2.52 H new ATOM 0 HD22 ASN A 94 19.162 -2.557 6.593 1.00 2.52 H new ATOM 1371 N PRO A 95 14.429 -5.958 4.699 1.00 0.41 N ATOM 1372 CA PRO A 95 13.238 -6.815 4.772 1.00 0.35 C ATOM 1373 C PRO A 95 12.111 -6.151 5.555 1.00 0.32 C ATOM 1374 O PRO A 95 12.158 -6.074 6.783 1.00 0.45 O ATOM 1375 CB PRO A 95 13.733 -8.064 5.507 1.00 0.44 C ATOM 1376 CG PRO A 95 15.200 -8.093 5.259 1.00 0.64 C ATOM 1377 CD PRO A 95 15.635 -6.657 5.189 1.00 0.51 C ATOM 0 HA PRO A 95 12.826 -7.027 3.786 1.00 0.35 H new ATOM 0 HB2 PRO A 95 13.513 -8.009 6.573 1.00 0.44 H new ATOM 0 HB3 PRO A 95 13.250 -8.964 5.128 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.721 -8.620 6.058 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.429 -8.616 4.330 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.948 -6.284 6.164 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.479 -6.525 4.512 1.00 0.51 H new ATOM 1385 N VAL A 96 11.100 -5.670 4.839 1.00 0.28 N ATOM 1386 CA VAL A 96 9.969 -5.002 5.471 1.00 0.33 C ATOM 1387 C VAL A 96 8.641 -5.634 5.073 1.00 0.28 C ATOM 1388 O VAL A 96 8.500 -6.177 3.978 1.00 0.30 O ATOM 1389 CB VAL A 96 9.936 -3.504 5.110 1.00 0.41 C ATOM 1390 CG1 VAL A 96 11.149 -2.790 5.685 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.864 -3.319 3.601 1.00 0.38 C ATOM 0 H VAL A 96 11.041 -5.730 3.822 1.00 0.28 H new ATOM 0 HA VAL A 96 10.105 -5.116 6.546 1.00 0.33 H new ATOM 0 HB VAL A 96 9.041 -3.063 5.549 1.00 0.41 H new ATOM 0 HG11 VAL A 96 11.109 -1.733 5.420 1.00 0.64 H new ATOM 0 HG12 VAL A 96 11.151 -2.892 6.770 1.00 0.64 H new ATOM 0 HG13 VAL A 96 12.058 -3.232 5.278 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.842 -2.255 3.366 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.738 -3.775 3.136 1.00 0.38 H new ATOM 0 HG23 VAL A 96 8.961 -3.794 3.219 1.00 0.38 H new ATOM 1401 N ARG A 97 7.671 -5.557 5.979 1.00 0.24 N ATOM 1402 CA ARG A 97 6.344 -6.101 5.735 1.00 0.22 C ATOM 1403 C ARG A 97 5.404 -4.990 5.286 1.00 0.18 C ATOM 1404 O ARG A 97 5.520 -3.848 5.735 1.00 0.18 O ATOM 1405 CB ARG A 97 5.798 -6.771 6.999 1.00 0.27 C ATOM 1406 CG ARG A 97 4.431 -7.407 6.807 1.00 0.69 C ATOM 1407 CD ARG A 97 3.918 -8.029 8.095 1.00 0.71 C ATOM 1408 NE ARG A 97 2.598 -8.631 7.922 1.00 1.21 N ATOM 1409 CZ ARG A 97 1.985 -9.346 8.862 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.570 -9.547 10.035 1.00 0.88 N ATOM 1411 NH2 ARG A 97 0.785 -9.859 8.626 1.00 2.37 N ATOM 0 H ARG A 97 7.783 -5.120 6.894 1.00 0.24 H new ATOM 0 HA ARG A 97 6.413 -6.852 4.948 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.502 -7.535 7.329 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.736 -6.030 7.796 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.724 -6.654 6.459 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.490 -8.171 6.032 1.00 0.69 H new ATOM 0 HD2 ARG A 97 4.621 -8.788 8.436 1.00 0.71 H new ATOM 0 HD3 ARG A 97 3.870 -7.266 8.872 1.00 0.71 H new ATOM 0 HE ARG A 97 2.120 -8.496 7.031 1.00 1.21 H new ATOM 0 HH11 ARG A 97 3.493 -9.153 10.219 1.00 0.88 H new ATOM 0 HH12 ARG A 97 2.097 -10.096 10.753 1.00 0.88 H new ATOM 0 HH21 ARG A 97 0.333 -9.705 7.725 1.00 2.37 H new ATOM 0 HH22 ARG A 97 0.314 -10.407 9.346 1.00 2.37 H new ATOM 1425 N LEU A 98 4.478 -5.326 4.398 1.00 0.19 N ATOM 1426 CA LEU A 98 3.532 -4.346 3.882 1.00 0.18 C ATOM 1427 C LEU A 98 2.095 -4.745 4.199 1.00 0.18 C ATOM 1428 O LEU A 98 1.662 -5.849 3.868 1.00 0.30 O ATOM 1429 CB LEU A 98 3.711 -4.207 2.370 1.00 0.23 C ATOM 1430 CG LEU A 98 5.162 -4.127 1.888 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.224 -4.202 0.371 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.824 -2.850 2.384 1.00 0.37 C ATOM 0 H LEU A 98 4.362 -6.267 4.021 1.00 0.19 H new ATOM 0 HA LEU A 98 3.731 -3.390 4.366 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.230 -5.056 1.884 1.00 0.23 H new ATOM 0 HB3 LEU A 98 3.186 -3.311 2.039 1.00 0.23 H new ATOM 0 HG LEU A 98 5.706 -4.977 2.300 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.263 -4.144 0.046 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.791 -5.144 0.035 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.663 -3.372 -0.058 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.854 -2.813 2.030 1.00 0.37 H new ATOM 0 HD22 LEU A 98 5.279 -1.986 2.004 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.814 -2.835 3.474 1.00 0.37 H new ATOM 1444 N LEU A 99 1.358 -3.842 4.844 1.00 0.18 N ATOM 1445 CA LEU A 99 -0.034 -4.105 5.192 1.00 0.19 C ATOM 1446 C LEU A 99 -0.969 -3.194 4.403 1.00 0.19 C ATOM 1447 O LEU A 99 -1.156 -2.027 4.751 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.260 -3.913 6.695 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.666 -4.268 7.187 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.960 -5.742 6.953 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.821 -3.919 8.661 1.00 0.36 C ATOM 0 H LEU A 99 1.701 -2.926 5.134 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.256 -5.140 4.934 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.463 -4.522 7.237 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.054 -2.873 6.948 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.386 -3.681 6.617 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.964 -5.974 7.309 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.894 -5.962 5.887 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.234 -6.348 7.494 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.826 -4.178 8.993 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -1.091 -4.478 9.246 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.657 -2.851 8.801 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.552 -3.739 3.339 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.468 -2.981 2.493 1.00 0.23 C ATOM 1465 C LEU A 100 -3.819 -3.683 2.375 1.00 0.24 C ATOM 1466 O LEU A 100 -3.890 -4.909 2.293 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.857 -2.771 1.103 1.00 0.25 C ATOM 1468 CG LEU A 100 -0.851 -3.839 0.657 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.535 -5.187 0.478 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.166 -3.415 -0.634 1.00 0.31 C ATOM 0 H LEU A 100 -1.406 -4.704 3.042 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.631 -2.009 2.959 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.665 -2.730 0.372 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.362 -1.800 1.086 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.095 -3.942 1.436 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -0.801 -5.928 0.161 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -1.980 -5.498 1.423 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.314 -5.102 -0.279 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.545 -4.183 -0.938 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -0.914 -3.283 -1.416 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.362 -2.475 -0.474 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.890 -2.896 2.370 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.238 -3.441 2.261 1.00 0.29 C ATOM 1484 C ILE A 101 -6.739 -3.385 0.821 1.00 0.32 C ATOM 1485 O ILE A 101 -6.473 -2.424 0.095 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.224 -2.684 3.175 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.638 -3.254 3.029 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.208 -1.195 2.855 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.619 -2.710 4.046 1.00 0.45 C ATOM 0 H ILE A 101 -4.850 -1.879 2.440 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.188 -4.482 2.581 1.00 0.29 H new ATOM 0 HB ILE A 101 -6.908 -2.816 4.210 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -9.007 -3.035 2.027 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.595 -4.339 3.123 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -7.909 -0.675 3.508 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.204 -0.800 3.012 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.500 -1.043 1.816 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.599 -3.158 3.882 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.273 -2.952 5.051 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.692 -1.628 3.938 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.463 -4.424 0.414 1.00 0.39 N ATOM 1502 CA ARG A 102 -8.005 -4.498 -0.938 1.00 0.46 C ATOM 1503 C ARG A 102 -9.435 -5.028 -0.921 1.00 0.60 C ATOM 1504 O ARG A 102 -9.724 -6.043 -0.286 1.00 0.81 O ATOM 1505 CB ARG A 102 -7.122 -5.388 -1.816 1.00 0.70 C ATOM 1506 CG ARG A 102 -7.607 -5.507 -3.253 1.00 1.27 C ATOM 1507 CD ARG A 102 -7.630 -4.153 -3.948 1.00 1.35 C ATOM 1508 NE ARG A 102 -7.941 -4.270 -5.371 1.00 1.49 N ATOM 1509 CZ ARG A 102 -8.628 -3.358 -6.054 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -9.097 -2.278 -5.441 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -8.849 -3.526 -7.350 1.00 2.20 N ATOM 0 H ARG A 102 -7.688 -5.226 1.002 1.00 0.39 H new ATOM 0 HA ARG A 102 -8.018 -3.491 -1.356 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -6.107 -4.990 -1.817 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -7.073 -6.384 -1.375 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -6.957 -6.188 -3.802 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -8.607 -5.941 -3.266 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -8.369 -3.512 -3.467 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -6.661 -3.668 -3.828 1.00 1.35 H new ATOM 0 HE ARG A 102 -7.613 -5.098 -5.869 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -8.931 -2.145 -4.443 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -9.623 -1.581 -5.968 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -8.492 -4.355 -7.825 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -9.376 -2.826 -7.872 1.00 2.20 H new ATOM 1525 N ARG A 103 -10.324 -4.336 -1.625 1.00 0.73 N ATOM 1526 CA ARG A 103 -11.725 -4.731 -1.690 1.00 1.00 C ATOM 1527 C ARG A 103 -11.954 -5.759 -2.794 1.00 1.16 C ATOM 1528 O ARG A 103 -11.356 -5.678 -3.867 1.00 1.23 O ATOM 1529 CB ARG A 103 -12.611 -3.506 -1.919 1.00 1.28 C ATOM 1530 CG ARG A 103 -12.276 -2.738 -3.188 1.00 2.01 C ATOM 1531 CD ARG A 103 -13.101 -1.466 -3.305 1.00 2.24 C ATOM 1532 NE ARG A 103 -12.840 -0.541 -2.205 1.00 2.73 N ATOM 1533 CZ ARG A 103 -13.398 0.662 -2.104 1.00 3.09 C ATOM 1534 NH1 ARG A 103 -14.248 1.084 -3.030 1.00 2.90 N ATOM 1535 NH2 ARG A 103 -13.107 1.445 -1.073 1.00 3.93 N ATOM 0 H ARG A 103 -10.098 -3.497 -2.159 1.00 0.73 H new ATOM 0 HA ARG A 103 -11.992 -5.189 -0.738 1.00 1.00 H new ATOM 0 HB2 ARG A 103 -13.652 -3.825 -1.962 1.00 1.28 H new ATOM 0 HB3 ARG A 103 -12.518 -2.836 -1.064 1.00 1.28 H new ATOM 0 HG2 ARG A 103 -11.215 -2.487 -3.193 1.00 2.01 H new ATOM 0 HG3 ARG A 103 -12.457 -3.371 -4.056 1.00 2.01 H new ATOM 0 HD2 ARG A 103 -12.878 -0.975 -4.252 1.00 2.24 H new ATOM 0 HD3 ARG A 103 -14.161 -1.721 -3.320 1.00 2.24 H new ATOM 0 HE ARG A 103 -12.193 -0.834 -1.473 1.00 2.73 H new ATOM 0 HH11 ARG A 103 -14.476 0.485 -3.824 1.00 2.90 H new ATOM 0 HH12 ARG A 103 -14.674 2.007 -2.949 1.00 2.90 H new ATOM 0 HH21 ARG A 103 -12.455 1.124 -0.357 1.00 3.93 H new ATOM 0 HH22 ARG A 103 -13.535 2.368 -0.996 1.00 3.93 H new ATOM 1549 N LEU A 104 -12.826 -6.725 -2.519 1.00 1.32 N ATOM 1550 CA LEU A 104 -13.139 -7.773 -3.484 1.00 1.57 C ATOM 1551 C LEU A 104 -14.218 -7.310 -4.461 1.00 1.89 C ATOM 1552 O LEU A 104 -15.097 -6.528 -4.095 1.00 2.00 O ATOM 1553 CB LEU A 104 -13.610 -9.036 -2.757 1.00 1.68 C ATOM 1554 CG LEU A 104 -12.586 -9.668 -1.811 1.00 1.43 C ATOM 1555 CD1 LEU A 104 -13.242 -10.750 -0.967 1.00 1.46 C ATOM 1556 CD2 LEU A 104 -11.416 -10.241 -2.595 1.00 1.55 C ATOM 0 H LEU A 104 -13.328 -6.803 -1.635 1.00 1.32 H new ATOM 0 HA LEU A 104 -12.233 -7.996 -4.047 1.00 1.57 H new ATOM 0 HB2 LEU A 104 -14.506 -8.793 -2.186 1.00 1.68 H new ATOM 0 HB3 LEU A 104 -13.898 -9.778 -3.502 1.00 1.68 H new ATOM 0 HG LEU A 104 -12.206 -8.892 -1.146 1.00 1.43 H new ATOM 0 HD11 LEU A 104 -12.501 -11.190 -0.299 1.00 1.46 H new ATOM 0 HD12 LEU A 104 -14.048 -10.313 -0.377 1.00 1.46 H new ATOM 0 HD13 LEU A 104 -13.648 -11.524 -1.619 1.00 1.46 H new ATOM 0 HD21 LEU A 104 -10.699 -10.686 -1.905 1.00 1.55 H new ATOM 0 HD22 LEU A 104 -11.778 -11.004 -3.284 1.00 1.55 H new ATOM 0 HD23 LEU A 104 -10.931 -9.444 -3.159 1.00 1.55 H new ATOM 1568 N PRO A 105 -14.167 -7.785 -5.720 1.00 2.13 N ATOM 1569 CA PRO A 105 -15.148 -7.421 -6.747 1.00 2.48 C ATOM 1570 C PRO A 105 -16.427 -8.239 -6.631 1.00 2.69 C ATOM 1571 O PRO A 105 -16.805 -8.966 -7.551 1.00 2.98 O ATOM 1572 CB PRO A 105 -14.413 -7.757 -8.037 1.00 2.64 C ATOM 1573 CG PRO A 105 -13.603 -8.949 -7.671 1.00 2.51 C ATOM 1574 CD PRO A 105 -13.147 -8.712 -6.255 1.00 2.16 C ATOM 0 HA PRO A 105 -15.470 -6.382 -6.674 1.00 2.48 H new ATOM 0 HB2 PRO A 105 -15.106 -7.976 -8.849 1.00 2.64 H new ATOM 0 HB3 PRO A 105 -13.785 -6.930 -8.369 1.00 2.64 H new ATOM 0 HG2 PRO A 105 -14.194 -9.862 -7.744 1.00 2.51 H new ATOM 0 HG3 PRO A 105 -12.752 -9.065 -8.342 1.00 2.51 H new ATOM 0 HD2 PRO A 105 -13.108 -9.640 -5.684 1.00 2.16 H new ATOM 0 HD3 PRO A 105 -12.149 -8.275 -6.222 1.00 2.16 H new ATOM 1582 N LEU A 106 -17.081 -8.112 -5.489 1.00 2.81 N ATOM 1583 CA LEU A 106 -18.320 -8.834 -5.223 1.00 3.01 C ATOM 1584 C LEU A 106 -19.523 -8.080 -5.783 1.00 3.44 C ATOM 1585 O LEU A 106 -19.878 -7.008 -5.291 1.00 3.67 O ATOM 1586 CB LEU A 106 -18.494 -9.047 -3.717 1.00 2.96 C ATOM 1587 CG LEU A 106 -17.307 -9.705 -3.011 1.00 2.78 C ATOM 1588 CD1 LEU A 106 -17.531 -9.729 -1.508 1.00 2.74 C ATOM 1589 CD2 LEU A 106 -17.084 -11.115 -3.538 1.00 3.01 C ATOM 0 H LEU A 106 -16.774 -7.511 -4.724 1.00 2.81 H new ATOM 0 HA LEU A 106 -18.260 -9.803 -5.718 1.00 3.01 H new ATOM 0 HB2 LEU A 106 -18.685 -8.081 -3.249 1.00 2.96 H new ATOM 0 HB3 LEU A 106 -19.380 -9.661 -3.553 1.00 2.96 H new ATOM 0 HG LEU A 106 -16.414 -9.116 -3.219 1.00 2.78 H new ATOM 0 HD11 LEU A 106 -16.678 -10.200 -1.020 1.00 2.74 H new ATOM 0 HD12 LEU A 106 -17.641 -8.709 -1.140 1.00 2.74 H new ATOM 0 HD13 LEU A 106 -18.435 -10.295 -1.284 1.00 2.74 H new ATOM 0 HD21 LEU A 106 -16.235 -11.566 -3.023 1.00 3.01 H new ATOM 0 HD22 LEU A 106 -17.977 -11.715 -3.361 1.00 3.01 H new ATOM 0 HD23 LEU A 106 -16.880 -11.075 -4.608 1.00 3.01 H new ATOM 1601 N LEU A 107 -20.146 -8.647 -6.811 1.00 3.72 N ATOM 1602 CA LEU A 107 -21.311 -8.027 -7.434 1.00 4.24 C ATOM 1603 C LEU A 107 -22.599 -8.506 -6.771 1.00 4.27 C ATOM 1604 O LEU A 107 -23.126 -9.568 -7.106 1.00 4.13 O ATOM 1605 CB LEU A 107 -21.350 -8.341 -8.934 1.00 4.67 C ATOM 1606 CG LEU A 107 -20.404 -7.510 -9.807 1.00 4.91 C ATOM 1607 CD1 LEU A 107 -20.783 -6.040 -9.747 1.00 5.59 C ATOM 1608 CD2 LEU A 107 -18.956 -7.708 -9.381 1.00 4.58 C ATOM 0 H LEU A 107 -19.865 -9.533 -7.230 1.00 3.72 H new ATOM 0 HA LEU A 107 -21.229 -6.948 -7.300 1.00 4.24 H new ATOM 0 HB2 LEU A 107 -21.112 -9.396 -9.073 1.00 4.67 H new ATOM 0 HB3 LEU A 107 -22.369 -8.194 -9.292 1.00 4.67 H new ATOM 0 HG LEU A 107 -20.502 -7.852 -10.837 1.00 4.91 H new ATOM 0 HD11 LEU A 107 -20.102 -5.463 -10.372 1.00 5.59 H new ATOM 0 HD12 LEU A 107 -21.803 -5.912 -10.108 1.00 5.59 H new ATOM 0 HD13 LEU A 107 -20.716 -5.689 -8.717 1.00 5.59 H new ATOM 0 HD21 LEU A 107 -18.305 -7.108 -10.016 1.00 4.58 H new ATOM 0 HD22 LEU A 107 -18.837 -7.398 -8.343 1.00 4.58 H new ATOM 0 HD23 LEU A 107 -18.689 -8.760 -9.479 1.00 4.58 H new ATOM 1620 N GLU A 108 -23.101 -7.715 -5.828 1.00 4.57 N ATOM 1621 CA GLU A 108 -24.325 -8.057 -5.112 1.00 4.71 C ATOM 1622 C GLU A 108 -25.555 -7.778 -5.972 1.00 5.10 C ATOM 1623 O GLU A 108 -26.061 -6.637 -5.928 1.00 5.66 O ATOM 1624 CB GLU A 108 -24.412 -7.270 -3.803 1.00 5.08 C ATOM 1625 CG GLU A 108 -23.222 -7.487 -2.881 1.00 5.36 C ATOM 1626 CD GLU A 108 -23.082 -8.930 -2.436 1.00 5.66 C ATOM 1627 OE1 GLU A 108 -22.480 -9.726 -3.186 1.00 5.89 O ATOM 1628 OE2 GLU A 108 -23.575 -9.262 -1.338 1.00 6.00 O ATOM 1629 OXT GLU A 108 -25.999 -8.703 -6.683 1.00 5.19 O ATOM 0 H GLU A 108 -22.679 -6.832 -5.542 1.00 4.57 H new ATOM 0 HA GLU A 108 -24.298 -9.123 -4.885 1.00 4.71 H new ATOM 0 HB2 GLU A 108 -24.494 -6.208 -4.032 1.00 5.08 H new ATOM 0 HB3 GLU A 108 -25.324 -7.554 -3.278 1.00 5.08 H new ATOM 0 HG2 GLU A 108 -22.310 -7.179 -3.393 1.00 5.36 H new ATOM 0 HG3 GLU A 108 -23.326 -6.849 -2.003 1.00 5.36 H new TER 1636 GLU A 108