USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 848 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 96 LYS NZ :NH3+ 180:sc= -0.332 (180deg=-0.332) USER MOD Set 1.2: A 99 LYS NZ :NH3+ -138:sc= 0 (180deg=0) USER MOD Set 2.1: A 61 SER OG : rot 170:sc= -0.178 USER MOD Set 2.2: A 67 MET CE :methyl -156:sc= 0 (180deg=-1.21) USER MOD Set 3.1: A 55 MET CE :methyl 180:sc= -0.926 (180deg=-0.903) USER MOD Set 3.2: A 90 GLN :FLIP amide:sc= -0.734 F(o=-4.7!,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= 1.29 (180deg=-0.0551) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.0359 F(o=-0.59,f=-0.036) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.552 F(o=-2.1,f=-0.55) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0049 USER MOD Single : A 37 SER OG : rot -12:sc= 0.457 USER MOD Single : A 38 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.72) USER MOD Single : A 40 TYR OH : rot -130:sc= -0.201 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= -0.158 (180deg=-0.214) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.047) USER MOD Single : A 71 GLN : amide:sc= 0.0622 K(o=0.062,f=-6.8!) USER MOD Single : A 77 THR OG1 : rot 71:sc= 0.0541 USER MOD Single : A 79 GLN :FLIP amide:sc= -2.33! C(o=-3.2!,f=-2.3!) USER MOD Single : A 80 THR OG1 : rot -44:sc= 1.22 USER MOD Single : A 81 LYS NZ :NH3+ 136:sc= -0.0508 (180deg=-0.287) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.394! C(o=-0.39!,f=-5.5!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -21:sc= 0.319 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -117:sc= -0.733 USER MOD Single : A 104 LYS NZ :NH3+ 163:sc= -0.0756 (180deg=-0.377) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.712 -8.221 2.740 1.00 7.33 N ATOM 2 CA MET A 1 20.492 -8.429 1.919 1.00 7.27 C ATOM 3 C MET A 1 19.235 -8.091 2.714 1.00 6.81 C ATOM 4 O MET A 1 19.291 -7.900 3.930 1.00 7.12 O ATOM 5 CB MET A 1 20.421 -9.877 1.425 1.00 7.99 C ATOM 6 CG MET A 1 20.352 -10.908 2.542 1.00 8.65 C ATOM 7 SD MET A 1 21.933 -11.137 3.379 1.00 9.34 S ATOM 8 CE MET A 1 21.507 -12.411 4.564 1.00 9.99 C ATOM 0 H1 MET A 1 22.513 -7.989 2.119 1.00 7.33 H new ATOM 0 H2 MET A 1 21.553 -7.439 3.407 1.00 7.33 H new ATOM 0 H3 MET A 1 21.926 -9.090 3.270 1.00 7.33 H new ATOM 0 HA MET A 1 20.548 -7.761 1.059 1.00 7.27 H new ATOM 0 HB2 MET A 1 19.545 -9.990 0.786 1.00 7.99 H new ATOM 0 HB3 MET A 1 21.295 -10.083 0.808 1.00 7.99 H new ATOM 0 HG2 MET A 1 19.602 -10.599 3.270 1.00 8.65 H new ATOM 0 HG3 MET A 1 20.022 -11.862 2.130 1.00 8.65 H new ATOM 0 HE1 MET A 1 22.385 -12.662 5.160 1.00 9.99 H new ATOM 0 HE2 MET A 1 20.715 -12.048 5.220 1.00 9.99 H new ATOM 0 HE3 MET A 1 21.161 -13.299 4.035 1.00 9.99 H new ATOM 20 N ALA A 2 18.105 -8.018 2.016 1.00 6.40 N ATOM 21 CA ALA A 2 16.824 -7.705 2.646 1.00 6.31 C ATOM 22 C ALA A 2 16.865 -6.349 3.345 1.00 5.60 C ATOM 23 O ALA A 2 17.846 -5.612 3.235 1.00 5.72 O ATOM 24 CB ALA A 2 16.438 -8.798 3.632 1.00 6.96 C ATOM 0 H ALA A 2 18.050 -8.172 1.009 1.00 6.40 H new ATOM 0 HA ALA A 2 16.069 -7.654 1.862 1.00 6.31 H new ATOM 0 HB1 ALA A 2 15.482 -8.551 4.093 1.00 6.96 H new ATOM 0 HB2 ALA A 2 16.352 -9.749 3.106 1.00 6.96 H new ATOM 0 HB3 ALA A 2 17.203 -8.878 4.404 1.00 6.96 H new ATOM 30 N ALA A 3 15.789 -6.026 4.060 1.00 5.19 N ATOM 31 CA ALA A 3 15.692 -4.761 4.782 1.00 4.77 C ATOM 32 C ALA A 3 15.828 -3.573 3.835 1.00 4.00 C ATOM 33 O ALA A 3 16.272 -2.496 4.233 1.00 4.10 O ATOM 34 CB ALA A 3 16.752 -4.692 5.873 1.00 5.44 C ATOM 0 H ALA A 3 14.970 -6.626 4.154 1.00 5.19 H new ATOM 0 HA ALA A 3 14.706 -4.712 5.244 1.00 4.77 H new ATOM 0 HB1 ALA A 3 16.668 -3.743 6.403 1.00 5.44 H new ATOM 0 HB2 ALA A 3 16.606 -5.514 6.574 1.00 5.44 H new ATOM 0 HB3 ALA A 3 17.742 -4.770 5.424 1.00 5.44 H new ATOM 40 N GLY A 4 15.432 -3.774 2.580 1.00 3.77 N ATOM 41 CA GLY A 4 15.520 -2.713 1.594 1.00 3.60 C ATOM 42 C GLY A 4 14.650 -1.522 1.936 1.00 3.08 C ATOM 43 O GLY A 4 13.435 -1.557 1.743 1.00 3.63 O ATOM 0 H GLY A 4 15.052 -4.653 2.230 1.00 3.77 H new ATOM 0 HA2 GLY A 4 16.557 -2.387 1.509 1.00 3.60 H new ATOM 0 HA3 GLY A 4 15.227 -3.103 0.619 1.00 3.60 H new ATOM 47 N GLU A 5 15.279 -0.467 2.444 1.00 2.62 N ATOM 48 CA GLU A 5 14.565 0.748 2.815 1.00 2.68 C ATOM 49 C GLU A 5 13.417 0.433 3.769 1.00 2.07 C ATOM 50 O GLU A 5 13.416 -0.608 4.428 1.00 2.47 O ATOM 51 CB GLU A 5 14.033 1.451 1.564 1.00 3.54 C ATOM 52 CG GLU A 5 15.109 1.771 0.540 1.00 4.10 C ATOM 53 CD GLU A 5 16.206 2.655 1.102 1.00 4.75 C ATOM 54 OE1 GLU A 5 16.024 3.891 1.112 1.00 5.15 O ATOM 55 OE2 GLU A 5 17.245 2.111 1.530 1.00 5.19 O ATOM 0 H GLU A 5 16.285 -0.430 2.608 1.00 2.62 H new ATOM 0 HA GLU A 5 15.263 1.412 3.326 1.00 2.68 H new ATOM 0 HB2 GLU A 5 13.276 0.820 1.098 1.00 3.54 H new ATOM 0 HB3 GLU A 5 13.539 2.376 1.860 1.00 3.54 H new ATOM 0 HG2 GLU A 5 15.547 0.841 0.177 1.00 4.10 H new ATOM 0 HG3 GLU A 5 14.653 2.265 -0.318 1.00 4.10 H new ATOM 62 N LEU A 6 12.445 1.338 3.831 1.00 1.67 N ATOM 63 CA LEU A 6 11.282 1.172 4.701 1.00 1.32 C ATOM 64 C LEU A 6 11.700 1.117 6.168 1.00 1.32 C ATOM 65 O LEU A 6 12.386 0.189 6.596 1.00 2.13 O ATOM 66 CB LEU A 6 10.517 -0.099 4.321 1.00 1.13 C ATOM 67 CG LEU A 6 10.207 -0.248 2.829 1.00 1.02 C ATOM 68 CD1 LEU A 6 9.776 -1.672 2.516 1.00 1.73 C ATOM 69 CD2 LEU A 6 9.131 0.739 2.403 1.00 1.32 C ATOM 0 H LEU A 6 12.439 2.200 3.286 1.00 1.67 H new ATOM 0 HA LEU A 6 10.629 2.034 4.566 1.00 1.32 H new ATOM 0 HB2 LEU A 6 11.097 -0.964 4.644 1.00 1.13 H new ATOM 0 HB3 LEU A 6 9.579 -0.119 4.875 1.00 1.13 H new ATOM 0 HG LEU A 6 11.115 -0.029 2.267 1.00 1.02 H new ATOM 0 HD11 LEU A 6 9.559 -1.761 1.451 1.00 1.73 H new ATOM 0 HD12 LEU A 6 10.577 -2.361 2.782 1.00 1.73 H new ATOM 0 HD13 LEU A 6 8.882 -1.916 3.090 1.00 1.73 H new ATOM 0 HD21 LEU A 6 8.926 0.617 1.340 1.00 1.32 H new ATOM 0 HD22 LEU A 6 8.220 0.553 2.972 1.00 1.32 H new ATOM 0 HD23 LEU A 6 9.475 1.756 2.591 1.00 1.32 H new ATOM 81 N GLU A 7 11.279 2.118 6.937 1.00 1.23 N ATOM 82 CA GLU A 7 11.617 2.187 8.355 1.00 1.34 C ATOM 83 C GLU A 7 11.079 0.978 9.115 1.00 1.46 C ATOM 84 O GLU A 7 11.749 0.443 9.999 1.00 2.09 O ATOM 85 CB GLU A 7 11.072 3.477 8.972 1.00 1.49 C ATOM 86 CG GLU A 7 9.565 3.630 8.842 1.00 1.34 C ATOM 87 CD GLU A 7 9.028 4.806 9.634 1.00 1.95 C ATOM 88 OE1 GLU A 7 9.010 5.930 9.090 1.00 2.64 O ATOM 89 OE2 GLU A 7 8.627 4.603 10.799 1.00 2.22 O ATOM 0 H GLU A 7 10.704 2.891 6.602 1.00 1.23 H new ATOM 0 HA GLU A 7 12.704 2.183 8.436 1.00 1.34 H new ATOM 0 HB2 GLU A 7 11.341 3.506 10.028 1.00 1.49 H new ATOM 0 HB3 GLU A 7 11.557 4.329 8.496 1.00 1.49 H new ATOM 0 HG2 GLU A 7 9.306 3.756 7.791 1.00 1.34 H new ATOM 0 HG3 GLU A 7 9.080 2.715 9.183 1.00 1.34 H new ATOM 96 N GLY A 8 9.869 0.549 8.766 1.00 1.36 N ATOM 97 CA GLY A 8 9.269 -0.593 9.431 1.00 1.61 C ATOM 98 C GLY A 8 8.123 -1.193 8.643 1.00 1.17 C ATOM 99 O GLY A 8 7.818 -0.746 7.536 1.00 1.38 O ATOM 0 H GLY A 8 9.295 0.971 8.036 1.00 1.36 H new ATOM 0 HA2 GLY A 8 10.031 -1.355 9.594 1.00 1.61 H new ATOM 0 HA3 GLY A 8 8.909 -0.288 10.413 1.00 1.61 H new ATOM 103 N GLY A 9 7.488 -2.214 9.213 1.00 1.01 N ATOM 104 CA GLY A 9 6.376 -2.865 8.545 1.00 1.09 C ATOM 105 C GLY A 9 5.053 -2.157 8.780 1.00 1.08 C ATOM 106 O GLY A 9 4.123 -2.292 7.984 1.00 1.26 O ATOM 0 H GLY A 9 7.725 -2.602 10.126 1.00 1.01 H new ATOM 0 HA2 GLY A 9 6.575 -2.907 7.474 1.00 1.09 H new ATOM 0 HA3 GLY A 9 6.300 -3.894 8.896 1.00 1.09 H new ATOM 110 N LYS A 10 4.967 -1.404 9.873 1.00 1.12 N ATOM 111 CA LYS A 10 3.745 -0.680 10.210 1.00 1.33 C ATOM 112 C LYS A 10 3.384 0.350 9.133 1.00 1.14 C ATOM 113 O LYS A 10 2.249 0.367 8.655 1.00 1.22 O ATOM 114 CB LYS A 10 3.878 -0.003 11.581 1.00 1.68 C ATOM 115 CG LYS A 10 2.661 0.818 11.985 1.00 2.23 C ATOM 116 CD LYS A 10 1.428 -0.055 12.165 1.00 3.07 C ATOM 117 CE LYS A 10 1.543 -0.945 13.393 1.00 3.89 C ATOM 118 NZ LYS A 10 0.366 -1.845 13.538 1.00 4.57 N ATOM 0 H LYS A 10 5.728 -1.279 10.540 1.00 1.12 H new ATOM 0 HA LYS A 10 2.934 -1.407 10.257 1.00 1.33 H new ATOM 0 HB2 LYS A 10 4.055 -0.768 12.337 1.00 1.68 H new ATOM 0 HB3 LYS A 10 4.754 0.645 11.572 1.00 1.68 H new ATOM 0 HG2 LYS A 10 2.871 1.347 12.915 1.00 2.23 H new ATOM 0 HG3 LYS A 10 2.464 1.574 11.225 1.00 2.23 H new ATOM 0 HD2 LYS A 10 0.545 0.577 12.255 1.00 3.07 H new ATOM 0 HD3 LYS A 10 1.288 -0.674 11.279 1.00 3.07 H new ATOM 0 HE2 LYS A 10 2.451 -1.543 13.324 1.00 3.89 H new ATOM 0 HE3 LYS A 10 1.637 -0.324 14.284 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 0.483 -2.435 14.386 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 -0.498 -1.274 13.630 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 0.290 -2.456 12.699 1.00 4.57 H new ATOM 132 N PRO A 11 4.330 1.227 8.729 1.00 1.03 N ATOM 133 CA PRO A 11 4.063 2.236 7.701 1.00 1.05 C ATOM 134 C PRO A 11 3.792 1.603 6.342 1.00 0.77 C ATOM 135 O PRO A 11 3.220 2.235 5.455 1.00 0.72 O ATOM 136 CB PRO A 11 5.349 3.072 7.648 1.00 1.20 C ATOM 137 CG PRO A 11 6.108 2.716 8.881 1.00 1.49 C ATOM 138 CD PRO A 11 5.713 1.316 9.228 1.00 1.15 C ATOM 0 HA PRO A 11 3.177 2.825 7.938 1.00 1.05 H new ATOM 0 HB2 PRO A 11 5.927 2.846 6.752 1.00 1.20 H new ATOM 0 HB3 PRO A 11 5.123 4.138 7.621 1.00 1.20 H new ATOM 0 HG2 PRO A 11 7.182 2.786 8.710 1.00 1.49 H new ATOM 0 HG3 PRO A 11 5.870 3.400 9.695 1.00 1.49 H new ATOM 0 HD2 PRO A 11 6.362 0.583 8.749 1.00 1.15 H new ATOM 0 HD3 PRO A 11 5.767 1.136 10.302 1.00 1.15 H new ATOM 146 N LEU A 12 4.206 0.349 6.186 1.00 0.70 N ATOM 147 CA LEU A 12 4.002 -0.367 4.935 1.00 0.57 C ATOM 148 C LEU A 12 2.513 -0.555 4.665 1.00 0.48 C ATOM 149 O LEU A 12 2.104 -0.803 3.530 1.00 0.53 O ATOM 150 CB LEU A 12 4.711 -1.723 4.968 1.00 0.61 C ATOM 151 CG LEU A 12 4.916 -2.376 3.599 1.00 0.58 C ATOM 152 CD1 LEU A 12 6.059 -1.704 2.854 1.00 1.01 C ATOM 153 CD2 LEU A 12 5.179 -3.867 3.752 1.00 0.91 C ATOM 0 H LEU A 12 4.683 -0.189 6.909 1.00 0.70 H new ATOM 0 HA LEU A 12 4.430 0.227 4.127 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.684 -1.597 5.443 1.00 0.61 H new ATOM 0 HB3 LEU A 12 4.135 -2.403 5.596 1.00 0.61 H new ATOM 0 HG LEU A 12 4.004 -2.248 3.016 1.00 0.58 H new ATOM 0 HD11 LEU A 12 6.191 -2.181 1.883 1.00 1.01 H new ATOM 0 HD12 LEU A 12 5.829 -0.648 2.711 1.00 1.01 H new ATOM 0 HD13 LEU A 12 6.977 -1.801 3.433 1.00 1.01 H new ATOM 0 HD21 LEU A 12 5.322 -4.314 2.768 1.00 0.91 H new ATOM 0 HD22 LEU A 12 6.075 -4.019 4.353 1.00 0.91 H new ATOM 0 HD23 LEU A 12 4.328 -4.338 4.244 1.00 0.91 H new ATOM 165 N SER A 13 1.709 -0.437 5.717 1.00 0.52 N ATOM 166 CA SER A 13 0.264 -0.579 5.595 1.00 0.61 C ATOM 167 C SER A 13 -0.336 0.664 4.954 1.00 0.58 C ATOM 168 O SER A 13 -1.403 0.609 4.339 1.00 0.69 O ATOM 169 CB SER A 13 -0.370 -0.815 6.967 1.00 0.78 C ATOM 170 OG SER A 13 -1.781 -0.917 6.869 1.00 1.39 O ATOM 0 H SER A 13 2.035 -0.243 6.664 1.00 0.52 H new ATOM 0 HA SER A 13 0.056 -1.441 4.961 1.00 0.61 H new ATOM 0 HB2 SER A 13 0.034 -1.728 7.405 1.00 0.78 H new ATOM 0 HB3 SER A 13 -0.108 0.003 7.637 1.00 0.78 H new ATOM 0 HG SER A 13 -2.161 -1.069 7.760 1.00 1.39 H new ATOM 176 N GLY A 14 0.361 1.783 5.102 1.00 0.56 N ATOM 177 CA GLY A 14 -0.106 3.033 4.538 1.00 0.59 C ATOM 178 C GLY A 14 0.408 3.262 3.131 1.00 0.55 C ATOM 179 O GLY A 14 0.122 4.287 2.524 1.00 0.58 O ATOM 0 H GLY A 14 1.246 1.846 5.605 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.196 3.039 4.529 1.00 0.59 H new ATOM 0 HA3 GLY A 14 0.212 3.857 5.176 1.00 0.59 H new ATOM 183 N LEU A 15 1.179 2.312 2.613 1.00 0.52 N ATOM 184 CA LEU A 15 1.724 2.427 1.264 1.00 0.52 C ATOM 185 C LEU A 15 0.616 2.728 0.267 1.00 0.46 C ATOM 186 O LEU A 15 0.637 3.751 -0.416 1.00 0.47 O ATOM 187 CB LEU A 15 2.420 1.127 0.865 1.00 0.57 C ATOM 188 CG LEU A 15 3.899 1.250 0.475 1.00 0.69 C ATOM 189 CD1 LEU A 15 4.112 2.361 -0.541 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.758 1.477 1.703 1.00 1.10 C ATOM 0 H LEU A 15 1.440 1.457 3.104 1.00 0.52 H new ATOM 0 HA LEU A 15 2.446 3.244 1.256 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.341 0.425 1.695 1.00 0.57 H new ATOM 0 HB3 LEU A 15 1.878 0.690 0.026 1.00 0.57 H new ATOM 0 HG LEU A 15 4.200 0.311 0.010 1.00 0.69 H new ATOM 0 HD11 LEU A 15 5.170 2.422 -0.797 1.00 0.97 H new ATOM 0 HD12 LEU A 15 3.533 2.148 -1.440 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.786 3.310 -0.116 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.803 1.562 1.405 1.00 1.10 H new ATOM 0 HD22 LEU A 15 4.447 2.396 2.200 1.00 1.10 H new ATOM 0 HD23 LEU A 15 4.643 0.637 2.388 1.00 1.10 H new ATOM 202 N LEU A 16 -0.353 1.825 0.197 1.00 0.45 N ATOM 203 CA LEU A 16 -1.484 1.969 -0.710 1.00 0.42 C ATOM 204 C LEU A 16 -2.187 3.306 -0.478 1.00 0.40 C ATOM 205 O LEU A 16 -2.907 3.804 -1.344 1.00 0.41 O ATOM 206 CB LEU A 16 -2.478 0.809 -0.523 1.00 0.47 C ATOM 207 CG LEU A 16 -1.879 -0.609 -0.443 1.00 0.53 C ATOM 208 CD1 LEU A 16 -0.580 -0.718 -1.234 1.00 0.86 C ATOM 209 CD2 LEU A 16 -1.669 -1.032 1.009 1.00 0.92 C ATOM 0 H LEU A 16 -0.378 0.977 0.763 1.00 0.45 H new ATOM 0 HA LEU A 16 -1.108 1.944 -1.733 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -3.045 0.991 0.390 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -3.188 0.832 -1.350 1.00 0.47 H new ATOM 0 HG LEU A 16 -2.597 -1.292 -0.897 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -0.189 -1.732 -1.153 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.771 -0.485 -2.282 1.00 0.86 H new ATOM 0 HD13 LEU A 16 0.150 -0.015 -0.834 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -1.246 -2.036 1.038 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -0.986 -0.336 1.496 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -2.626 -1.027 1.532 1.00 0.92 H new ATOM 221 N ASN A 17 -1.967 3.877 0.703 1.00 0.40 N ATOM 222 CA ASN A 17 -2.571 5.152 1.078 1.00 0.42 C ATOM 223 C ASN A 17 -1.779 6.340 0.522 1.00 0.38 C ATOM 224 O ASN A 17 -2.316 7.158 -0.224 1.00 0.42 O ATOM 225 CB ASN A 17 -2.664 5.242 2.602 1.00 0.47 C ATOM 226 CG ASN A 17 -2.811 6.668 3.097 1.00 1.38 C ATOM 227 OD1 ASN A 17 -1.686 7.312 3.387 1.00 1.93 O flip ATOM 228 ND2 ASN A 17 -3.922 7.183 3.219 1.00 2.33 N flip ATOM 0 H ASN A 17 -1.369 3.472 1.423 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.570 5.197 0.645 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -3.515 4.653 2.945 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -1.771 4.799 3.043 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -4.760 6.650 2.984 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -4.005 8.143 3.555 1.00 2.33 H new ATOM 235 N ALA A 18 -0.505 6.434 0.898 1.00 0.37 N ATOM 236 CA ALA A 18 0.360 7.518 0.440 1.00 0.37 C ATOM 237 C ALA A 18 0.421 7.570 -1.083 1.00 0.38 C ATOM 238 O ALA A 18 0.485 8.644 -1.679 1.00 0.44 O ATOM 239 CB ALA A 18 1.755 7.346 1.009 1.00 0.42 C ATOM 0 H ALA A 18 -0.048 5.769 1.522 1.00 0.37 H new ATOM 0 HA ALA A 18 -0.061 8.459 0.795 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.392 8.159 0.662 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.708 7.361 2.098 1.00 0.42 H new ATOM 0 HB3 ALA A 18 2.169 6.394 0.677 1.00 0.42 H new ATOM 245 N LEU A 19 0.393 6.396 -1.705 1.00 0.42 N ATOM 246 CA LEU A 19 0.464 6.289 -3.160 1.00 0.48 C ATOM 247 C LEU A 19 -0.811 6.791 -3.836 1.00 0.52 C ATOM 248 O LEU A 19 -0.952 6.683 -5.055 1.00 0.69 O ATOM 249 CB LEU A 19 0.725 4.839 -3.562 1.00 0.51 C ATOM 250 CG LEU A 19 2.033 4.246 -3.039 1.00 0.61 C ATOM 251 CD1 LEU A 19 2.070 2.746 -3.282 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.226 4.926 -3.693 1.00 0.94 C ATOM 0 H LEU A 19 0.321 5.500 -1.222 1.00 0.42 H new ATOM 0 HA LEU A 19 1.286 6.921 -3.495 1.00 0.48 H new ATOM 0 HB2 LEU A 19 -0.102 4.225 -3.206 1.00 0.51 H new ATOM 0 HB3 LEU A 19 0.724 4.774 -4.650 1.00 0.51 H new ATOM 0 HG LEU A 19 2.087 4.421 -1.965 1.00 0.61 H new ATOM 0 HD11 LEU A 19 3.008 2.339 -2.904 1.00 0.77 H new ATOM 0 HD12 LEU A 19 1.235 2.273 -2.765 1.00 0.77 H new ATOM 0 HD13 LEU A 19 1.994 2.549 -4.351 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.149 4.491 -3.309 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.180 4.783 -4.773 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.206 5.992 -3.467 1.00 0.94 H new ATOM 264 N ALA A 20 -1.735 7.337 -3.053 1.00 0.54 N ATOM 265 CA ALA A 20 -2.985 7.856 -3.601 1.00 0.64 C ATOM 266 C ALA A 20 -2.783 9.255 -4.174 1.00 0.78 C ATOM 267 O ALA A 20 -3.652 10.118 -4.055 1.00 1.59 O ATOM 268 CB ALA A 20 -4.070 7.871 -2.536 1.00 0.76 C ATOM 0 H ALA A 20 -1.644 7.432 -2.042 1.00 0.54 H new ATOM 0 HA ALA A 20 -3.302 7.196 -4.409 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.994 8.261 -2.963 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -4.238 6.857 -2.173 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.757 8.506 -1.707 1.00 0.76 H new ATOM 274 N GLN A 21 -1.629 9.466 -4.802 1.00 0.71 N ATOM 275 CA GLN A 21 -1.298 10.756 -5.396 1.00 0.81 C ATOM 276 C GLN A 21 -2.235 11.085 -6.553 1.00 1.05 C ATOM 277 O GLN A 21 -1.909 10.845 -7.715 1.00 1.54 O ATOM 278 CB GLN A 21 0.152 10.755 -5.887 1.00 1.12 C ATOM 279 CG GLN A 21 0.621 12.105 -6.400 1.00 1.08 C ATOM 280 CD GLN A 21 1.998 12.040 -7.029 1.00 1.24 C ATOM 281 OE1 GLN A 21 3.031 12.207 -6.213 1.00 1.87 O flip ATOM 282 NE2 GLN A 21 2.132 11.837 -8.236 1.00 1.21 N flip ATOM 0 H GLN A 21 -0.905 8.756 -4.912 1.00 0.71 H new ATOM 0 HA GLN A 21 -1.419 11.520 -4.628 1.00 0.81 H new ATOM 0 HB2 GLN A 21 0.803 10.440 -5.071 1.00 1.12 H new ATOM 0 HB3 GLN A 21 0.257 10.017 -6.682 1.00 1.12 H new ATOM 0 HG2 GLN A 21 -0.093 12.479 -7.134 1.00 1.08 H new ATOM 0 HG3 GLN A 21 0.635 12.818 -5.576 1.00 1.08 H new ATOM 0 HE21 GLN A 21 1.310 11.714 -8.827 1.00 1.21 H new ATOM 0 HE22 GLN A 21 3.065 11.792 -8.645 1.00 1.21 H new ATOM 291 N ASP A 22 -3.401 11.635 -6.222 1.00 1.63 N ATOM 292 CA ASP A 22 -4.395 12.002 -7.225 1.00 2.08 C ATOM 293 C ASP A 22 -4.619 10.867 -8.223 1.00 1.93 C ATOM 294 O ASP A 22 -4.039 10.859 -9.309 1.00 2.22 O ATOM 295 CB ASP A 22 -3.963 13.270 -7.965 1.00 2.77 C ATOM 296 CG ASP A 22 -5.024 13.771 -8.926 1.00 3.37 C ATOM 297 OD1 ASP A 22 -5.059 13.286 -10.076 1.00 3.59 O ATOM 298 OD2 ASP A 22 -5.820 14.647 -8.528 1.00 4.03 O ATOM 0 H ASP A 22 -3.681 11.837 -5.262 1.00 1.63 H new ATOM 0 HA ASP A 22 -5.335 12.193 -6.708 1.00 2.08 H new ATOM 0 HB2 ASP A 22 -3.737 14.051 -7.239 1.00 2.77 H new ATOM 0 HB3 ASP A 22 -3.044 13.070 -8.516 1.00 2.77 H new ATOM 303 N THR A 23 -5.454 9.906 -7.843 1.00 1.87 N ATOM 304 CA THR A 23 -5.751 8.772 -8.709 1.00 2.12 C ATOM 305 C THR A 23 -6.917 9.085 -9.642 1.00 2.28 C ATOM 306 O THR A 23 -6.840 8.847 -10.847 1.00 2.68 O ATOM 307 CB THR A 23 -6.070 7.498 -7.900 1.00 2.43 C ATOM 308 OG1 THR A 23 -6.599 6.487 -8.767 1.00 3.06 O ATOM 309 CG2 THR A 23 -7.063 7.789 -6.788 1.00 2.29 C ATOM 0 H THR A 23 -5.936 9.890 -6.944 1.00 1.87 H new ATOM 0 HA THR A 23 -4.855 8.588 -9.301 1.00 2.12 H new ATOM 0 HB THR A 23 -5.143 7.144 -7.449 1.00 2.43 H new ATOM 0 HG1 THR A 23 -6.798 5.681 -8.246 1.00 3.06 H new ATOM 0 HG21 THR A 23 -7.269 6.873 -6.235 1.00 2.29 H new ATOM 0 HG22 THR A 23 -6.644 8.534 -6.112 1.00 2.29 H new ATOM 0 HG23 THR A 23 -7.990 8.169 -7.218 1.00 2.29 H new ATOM 317 N PHE A 24 -7.994 9.625 -9.075 1.00 2.25 N ATOM 318 CA PHE A 24 -9.175 9.981 -9.851 1.00 2.54 C ATOM 319 C PHE A 24 -10.184 10.721 -8.978 1.00 2.79 C ATOM 320 O PHE A 24 -11.164 10.137 -8.513 1.00 3.49 O ATOM 321 CB PHE A 24 -9.820 8.732 -10.459 1.00 2.58 C ATOM 322 CG PHE A 24 -10.881 9.038 -11.481 1.00 2.99 C ATOM 323 CD1 PHE A 24 -10.537 9.290 -12.799 1.00 3.46 C ATOM 324 CD2 PHE A 24 -12.220 9.074 -11.122 1.00 3.42 C ATOM 325 CE1 PHE A 24 -11.508 9.573 -13.741 1.00 4.14 C ATOM 326 CE2 PHE A 24 -13.195 9.356 -12.060 1.00 4.26 C ATOM 327 CZ PHE A 24 -12.839 9.605 -13.370 1.00 4.53 C ATOM 0 H PHE A 24 -8.071 9.825 -8.078 1.00 2.25 H new ATOM 0 HA PHE A 24 -8.863 10.639 -10.662 1.00 2.54 H new ATOM 0 HB2 PHE A 24 -9.045 8.123 -10.924 1.00 2.58 H new ATOM 0 HB3 PHE A 24 -10.259 8.134 -9.660 1.00 2.58 H new ATOM 0 HD1 PHE A 24 -9.498 9.265 -13.094 1.00 3.46 H new ATOM 0 HD2 PHE A 24 -12.504 8.880 -10.098 1.00 3.42 H new ATOM 0 HE1 PHE A 24 -11.227 9.769 -14.765 1.00 4.14 H new ATOM 0 HE2 PHE A 24 -14.235 9.382 -11.768 1.00 4.26 H new ATOM 0 HZ PHE A 24 -13.600 9.825 -14.104 1.00 4.53 H new ATOM 337 N HIS A 25 -9.924 12.006 -8.749 1.00 2.92 N ATOM 338 CA HIS A 25 -10.800 12.838 -7.928 1.00 3.82 C ATOM 339 C HIS A 25 -11.075 12.178 -6.579 1.00 4.29 C ATOM 340 O HIS A 25 -12.057 11.454 -6.419 1.00 5.21 O ATOM 341 CB HIS A 25 -12.117 13.111 -8.659 1.00 4.09 C ATOM 342 CG HIS A 25 -13.002 14.092 -7.953 1.00 4.34 C ATOM 343 ND1 HIS A 25 -12.999 15.443 -8.229 1.00 4.48 N ATOM 344 CD2 HIS A 25 -13.925 13.911 -6.978 1.00 4.95 C ATOM 345 CE1 HIS A 25 -13.880 16.051 -7.455 1.00 5.04 C ATOM 346 NE2 HIS A 25 -14.455 15.144 -6.687 1.00 5.34 N ATOM 0 H HIS A 25 -9.110 12.495 -9.122 1.00 2.92 H new ATOM 0 HA HIS A 25 -10.293 13.786 -7.748 1.00 3.82 H new ATOM 0 HB2 HIS A 25 -11.897 13.486 -9.658 1.00 4.09 H new ATOM 0 HB3 HIS A 25 -12.656 12.172 -8.783 1.00 4.09 H new ATOM 0 HD2 HIS A 25 -14.194 12.973 -6.516 1.00 4.95 H new ATOM 0 HE1 HIS A 25 -14.094 17.110 -7.451 1.00 5.04 H new ATOM 0 HE2 HIS A 25 -15.176 15.329 -5.990 1.00 5.34 H new ATOM 355 N GLY A 26 -10.196 12.428 -5.614 1.00 3.87 N ATOM 356 CA GLY A 26 -10.360 11.848 -4.294 1.00 4.35 C ATOM 357 C GLY A 26 -9.879 12.770 -3.191 1.00 3.82 C ATOM 358 O GLY A 26 -9.999 13.990 -3.296 1.00 3.81 O ATOM 0 H GLY A 26 -9.374 13.022 -5.722 1.00 3.87 H new ATOM 0 HA2 GLY A 26 -11.412 11.612 -4.133 1.00 4.35 H new ATOM 0 HA3 GLY A 26 -9.811 10.908 -4.243 1.00 4.35 H new ATOM 362 N TYR A 27 -9.333 12.182 -2.131 1.00 3.61 N ATOM 363 CA TYR A 27 -8.832 12.954 -0.999 1.00 3.21 C ATOM 364 C TYR A 27 -7.642 13.825 -1.415 1.00 2.51 C ATOM 365 O TYR A 27 -6.581 13.304 -1.758 1.00 2.56 O ATOM 366 CB TYR A 27 -8.419 12.015 0.137 1.00 3.64 C ATOM 367 CG TYR A 27 -7.904 12.733 1.365 1.00 4.16 C ATOM 368 CD1 TYR A 27 -8.776 13.383 2.228 1.00 4.99 C ATOM 369 CD2 TYR A 27 -6.547 12.759 1.660 1.00 4.26 C ATOM 370 CE1 TYR A 27 -8.310 14.041 3.350 1.00 5.76 C ATOM 371 CE2 TYR A 27 -6.073 13.414 2.781 1.00 5.19 C ATOM 372 CZ TYR A 27 -6.956 14.055 3.619 1.00 5.88 C ATOM 373 OH TYR A 27 -6.491 14.706 4.740 1.00 6.91 O ATOM 0 H TYR A 27 -9.226 11.172 -2.032 1.00 3.61 H new ATOM 0 HA TYR A 27 -9.632 13.608 -0.652 1.00 3.21 H new ATOM 0 HB2 TYR A 27 -9.275 11.402 0.418 1.00 3.64 H new ATOM 0 HB3 TYR A 27 -7.647 11.337 -0.227 1.00 3.64 H new ATOM 0 HD1 TYR A 27 -9.836 13.374 2.019 1.00 4.99 H new ATOM 0 HD2 TYR A 27 -5.851 12.259 1.003 1.00 4.26 H new ATOM 0 HE1 TYR A 27 -9.001 14.541 4.013 1.00 5.76 H new ATOM 0 HE2 TYR A 27 -5.015 13.423 2.998 1.00 5.19 H new ATOM 0 HH TYR A 27 -5.516 14.622 4.786 1.00 6.91 H new ATOM 383 N PRO A 28 -7.802 15.164 -1.391 1.00 2.25 N ATOM 384 CA PRO A 28 -6.732 16.094 -1.766 1.00 2.05 C ATOM 385 C PRO A 28 -5.631 16.160 -0.714 1.00 1.79 C ATOM 386 O PRO A 28 -5.618 15.378 0.236 1.00 2.41 O ATOM 387 CB PRO A 28 -7.440 17.456 -1.875 1.00 2.45 C ATOM 388 CG PRO A 28 -8.903 17.166 -1.774 1.00 2.79 C ATOM 389 CD PRO A 28 -9.024 15.882 -1.007 1.00 2.71 C ATOM 0 HA PRO A 28 -6.240 15.784 -2.688 1.00 2.05 H new ATOM 0 HB2 PRO A 28 -7.119 18.128 -1.079 1.00 2.45 H new ATOM 0 HB3 PRO A 28 -7.203 17.945 -2.820 1.00 2.45 H new ATOM 0 HG2 PRO A 28 -9.426 17.975 -1.264 1.00 2.79 H new ATOM 0 HG3 PRO A 28 -9.350 17.072 -2.764 1.00 2.79 H new ATOM 0 HD2 PRO A 28 -9.072 16.055 0.068 1.00 2.71 H new ATOM 0 HD3 PRO A 28 -9.922 15.329 -1.281 1.00 2.71 H new ATOM 397 N GLY A 29 -4.707 17.100 -0.890 1.00 1.45 N ATOM 398 CA GLY A 29 -3.615 17.256 0.053 1.00 1.37 C ATOM 399 C GLY A 29 -2.430 16.371 -0.275 1.00 1.15 C ATOM 400 O GLY A 29 -1.283 16.740 -0.017 1.00 1.42 O ATOM 0 H GLY A 29 -4.696 17.757 -1.670 1.00 1.45 H new ATOM 0 HA2 GLY A 29 -3.294 18.298 0.062 1.00 1.37 H new ATOM 0 HA3 GLY A 29 -3.971 17.023 1.057 1.00 1.37 H new ATOM 404 N ILE A 30 -2.706 15.200 -0.842 1.00 1.02 N ATOM 405 CA ILE A 30 -1.652 14.260 -1.205 1.00 0.84 C ATOM 406 C ILE A 30 -0.666 14.902 -2.180 1.00 0.87 C ATOM 407 O ILE A 30 -1.063 15.601 -3.113 1.00 1.18 O ATOM 408 CB ILE A 30 -2.241 12.971 -1.822 1.00 0.87 C ATOM 409 CG1 ILE A 30 -1.201 11.846 -1.816 1.00 0.77 C ATOM 410 CG2 ILE A 30 -2.750 13.229 -3.233 1.00 1.08 C ATOM 411 CD1 ILE A 30 -1.037 11.184 -0.462 1.00 0.75 C ATOM 0 H ILE A 30 -3.650 14.880 -1.060 1.00 1.02 H new ATOM 0 HA ILE A 30 -1.121 13.993 -0.292 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.087 12.657 -1.211 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -1.489 11.092 -2.548 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -0.239 12.249 -2.134 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -3.160 12.307 -3.646 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -3.528 13.992 -3.205 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -1.927 13.573 -3.859 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -0.286 10.397 -0.530 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -0.719 11.927 0.270 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.988 10.752 -0.151 1.00 0.75 H new ATOM 423 N THR A 31 0.620 14.671 -1.948 1.00 0.88 N ATOM 424 CA THR A 31 1.668 15.227 -2.797 1.00 0.97 C ATOM 425 C THR A 31 2.838 14.254 -2.911 1.00 0.86 C ATOM 426 O THR A 31 2.999 13.371 -2.073 1.00 0.78 O ATOM 427 CB THR A 31 2.171 16.577 -2.242 1.00 1.07 C ATOM 428 OG1 THR A 31 1.059 17.443 -1.986 1.00 1.72 O ATOM 429 CG2 THR A 31 3.125 17.254 -3.215 1.00 1.06 C ATOM 0 H THR A 31 0.964 14.100 -1.176 1.00 0.88 H new ATOM 0 HA THR A 31 1.241 15.392 -3.786 1.00 0.97 H new ATOM 0 HB THR A 31 2.708 16.379 -1.314 1.00 1.07 H new ATOM 0 HG1 THR A 31 1.384 18.297 -1.633 1.00 1.72 H new ATOM 0 HG21 THR A 31 3.461 18.202 -2.795 1.00 1.06 H new ATOM 0 HG22 THR A 31 3.986 16.609 -3.389 1.00 1.06 H new ATOM 0 HG23 THR A 31 2.612 17.437 -4.159 1.00 1.06 H new ATOM 437 N GLU A 32 3.644 14.411 -3.956 1.00 0.93 N ATOM 438 CA GLU A 32 4.795 13.537 -4.174 1.00 0.95 C ATOM 439 C GLU A 32 5.692 13.474 -2.941 1.00 0.84 C ATOM 440 O GLU A 32 6.085 12.391 -2.505 1.00 0.91 O ATOM 441 CB GLU A 32 5.598 14.015 -5.385 1.00 1.15 C ATOM 442 CG GLU A 32 6.765 13.110 -5.737 1.00 1.47 C ATOM 443 CD GLU A 32 7.530 13.590 -6.955 1.00 1.59 C ATOM 444 OE1 GLU A 32 7.136 13.229 -8.084 1.00 1.56 O ATOM 445 OE2 GLU A 32 8.522 14.328 -6.779 1.00 1.98 O ATOM 0 H GLU A 32 3.523 15.134 -4.665 1.00 0.93 H new ATOM 0 HA GLU A 32 4.419 12.532 -4.365 1.00 0.95 H new ATOM 0 HB2 GLU A 32 4.933 14.087 -6.246 1.00 1.15 H new ATOM 0 HB3 GLU A 32 5.974 15.019 -5.188 1.00 1.15 H new ATOM 0 HG2 GLU A 32 7.444 13.052 -4.886 1.00 1.47 H new ATOM 0 HG3 GLU A 32 6.395 12.101 -5.919 1.00 1.47 H new ATOM 452 N GLU A 33 6.016 14.636 -2.383 1.00 0.80 N ATOM 453 CA GLU A 33 6.868 14.706 -1.199 1.00 0.79 C ATOM 454 C GLU A 33 6.057 14.411 0.061 1.00 0.64 C ATOM 455 O GLU A 33 6.612 14.216 1.144 1.00 0.70 O ATOM 456 CB GLU A 33 7.516 16.089 -1.099 1.00 0.97 C ATOM 457 CG GLU A 33 8.457 16.244 0.084 1.00 1.63 C ATOM 458 CD GLU A 33 9.085 17.622 0.155 1.00 2.05 C ATOM 459 OE1 GLU A 33 8.428 18.549 0.676 1.00 2.64 O ATOM 460 OE2 GLU A 33 10.233 17.776 -0.312 1.00 2.36 O ATOM 0 H GLU A 33 5.702 15.542 -2.731 1.00 0.80 H new ATOM 0 HA GLU A 33 7.652 13.954 -1.289 1.00 0.79 H new ATOM 0 HB2 GLU A 33 8.067 16.288 -2.018 1.00 0.97 H new ATOM 0 HB3 GLU A 33 6.732 16.843 -1.028 1.00 0.97 H new ATOM 0 HG2 GLU A 33 7.909 16.051 1.006 1.00 1.63 H new ATOM 0 HG3 GLU A 33 9.244 15.493 0.018 1.00 1.63 H new ATOM 467 N LEU A 34 4.739 14.369 -0.094 1.00 0.54 N ATOM 468 CA LEU A 34 3.838 14.105 1.020 1.00 0.49 C ATOM 469 C LEU A 34 3.704 12.605 1.274 1.00 0.43 C ATOM 470 O LEU A 34 3.815 12.147 2.411 1.00 0.46 O ATOM 471 CB LEU A 34 2.464 14.723 0.723 1.00 0.57 C ATOM 472 CG LEU A 34 1.436 14.694 1.864 1.00 0.91 C ATOM 473 CD1 LEU A 34 0.805 13.316 1.985 1.00 1.75 C ATOM 474 CD2 LEU A 34 2.072 15.114 3.183 1.00 1.48 C ATOM 0 H LEU A 34 4.269 14.516 -0.987 1.00 0.54 H new ATOM 0 HA LEU A 34 4.252 14.558 1.921 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.614 15.761 0.426 1.00 0.57 H new ATOM 0 HB3 LEU A 34 2.036 14.205 -0.135 1.00 0.57 H new ATOM 0 HG LEU A 34 0.649 15.410 1.627 1.00 0.91 H new ATOM 0 HD11 LEU A 34 0.080 13.318 2.799 1.00 1.75 H new ATOM 0 HD12 LEU A 34 0.302 13.063 1.052 1.00 1.75 H new ATOM 0 HD13 LEU A 34 1.580 12.578 2.191 1.00 1.75 H new ATOM 0 HD21 LEU A 34 1.323 15.085 3.974 1.00 1.48 H new ATOM 0 HD22 LEU A 34 2.885 14.431 3.428 1.00 1.48 H new ATOM 0 HD23 LEU A 34 2.464 16.127 3.092 1.00 1.48 H new ATOM 486 N LEU A 35 3.462 11.849 0.207 1.00 0.45 N ATOM 487 CA LEU A 35 3.304 10.410 0.296 1.00 0.49 C ATOM 488 C LEU A 35 4.482 9.771 1.028 1.00 0.43 C ATOM 489 O LEU A 35 4.328 8.766 1.723 1.00 0.50 O ATOM 490 CB LEU A 35 3.165 9.836 -1.115 1.00 0.63 C ATOM 491 CG LEU A 35 4.461 9.721 -1.922 1.00 0.64 C ATOM 492 CD1 LEU A 35 5.095 8.351 -1.728 1.00 0.89 C ATOM 493 CD2 LEU A 35 4.193 9.983 -3.396 1.00 1.08 C ATOM 0 H LEU A 35 3.371 12.220 -0.739 1.00 0.45 H new ATOM 0 HA LEU A 35 2.405 10.184 0.870 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.717 8.845 -1.040 1.00 0.63 H new ATOM 0 HB3 LEU A 35 2.467 10.460 -1.673 1.00 0.63 H new ATOM 0 HG LEU A 35 5.160 10.474 -1.559 1.00 0.64 H new ATOM 0 HD11 LEU A 35 6.015 8.290 -2.310 1.00 0.89 H new ATOM 0 HD12 LEU A 35 5.323 8.202 -0.673 1.00 0.89 H new ATOM 0 HD13 LEU A 35 4.402 7.579 -2.062 1.00 0.89 H new ATOM 0 HD21 LEU A 35 5.124 9.897 -3.956 1.00 1.08 H new ATOM 0 HD22 LEU A 35 3.476 9.253 -3.771 1.00 1.08 H new ATOM 0 HD23 LEU A 35 3.787 10.987 -3.519 1.00 1.08 H new ATOM 505 N ARG A 36 5.654 10.368 0.867 1.00 0.38 N ATOM 506 CA ARG A 36 6.869 9.878 1.506 1.00 0.38 C ATOM 507 C ARG A 36 6.907 10.273 2.977 1.00 0.34 C ATOM 508 O ARG A 36 7.102 9.435 3.858 1.00 0.37 O ATOM 509 CB ARG A 36 8.088 10.455 0.784 1.00 0.46 C ATOM 510 CG ARG A 36 9.346 10.509 1.633 1.00 1.18 C ATOM 511 CD ARG A 36 10.392 11.419 1.015 1.00 1.73 C ATOM 512 NE ARG A 36 11.474 11.723 1.948 1.00 2.64 N ATOM 513 CZ ARG A 36 12.221 12.820 1.878 1.00 3.41 C ATOM 514 NH1 ARG A 36 12.000 13.721 0.931 1.00 3.46 N ATOM 515 NH2 ARG A 36 13.190 13.020 2.762 1.00 4.28 N ATOM 0 H ARG A 36 5.791 11.201 0.294 1.00 0.38 H new ATOM 0 HA ARG A 36 6.882 8.790 1.444 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.288 9.855 -0.104 1.00 0.46 H new ATOM 0 HB3 ARG A 36 7.851 11.462 0.442 1.00 0.46 H new ATOM 0 HG2 ARG A 36 9.097 10.865 2.633 1.00 1.18 H new ATOM 0 HG3 ARG A 36 9.755 9.505 1.744 1.00 1.18 H new ATOM 0 HD2 ARG A 36 10.804 10.945 0.124 1.00 1.73 H new ATOM 0 HD3 ARG A 36 9.920 12.347 0.693 1.00 1.73 H new ATOM 0 HE ARG A 36 11.667 11.056 2.695 1.00 2.64 H new ATOM 0 HH11 ARG A 36 11.254 13.574 0.251 1.00 3.46 H new ATOM 0 HH12 ARG A 36 12.576 14.561 0.882 1.00 3.46 H new ATOM 0 HH21 ARG A 36 13.362 12.332 3.495 1.00 4.28 H new ATOM 0 HH22 ARG A 36 13.763 13.862 2.708 1.00 4.28 H new ATOM 529 N SER A 37 6.725 11.561 3.223 1.00 0.36 N ATOM 530 CA SER A 37 6.757 12.109 4.573 1.00 0.40 C ATOM 531 C SER A 37 5.697 11.487 5.486 1.00 0.40 C ATOM 532 O SER A 37 5.824 11.544 6.710 1.00 0.46 O ATOM 533 CB SER A 37 6.564 13.626 4.521 1.00 0.47 C ATOM 534 OG SER A 37 5.312 13.961 3.948 1.00 1.33 O ATOM 0 H SER A 37 6.551 12.255 2.496 1.00 0.36 H new ATOM 0 HA SER A 37 7.732 11.866 4.995 1.00 0.40 H new ATOM 0 HB2 SER A 37 6.629 14.039 5.528 1.00 0.47 H new ATOM 0 HB3 SER A 37 7.367 14.078 3.939 1.00 0.47 H new ATOM 0 HG SER A 37 4.917 13.164 3.536 1.00 1.33 H new ATOM 540 N GLN A 38 4.657 10.895 4.902 1.00 0.36 N ATOM 541 CA GLN A 38 3.586 10.298 5.699 1.00 0.39 C ATOM 542 C GLN A 38 3.878 8.851 6.083 1.00 0.43 C ATOM 543 O GLN A 38 3.124 8.253 6.854 1.00 0.67 O ATOM 544 CB GLN A 38 2.259 10.365 4.940 1.00 0.42 C ATOM 545 CG GLN A 38 1.642 11.753 4.919 1.00 0.74 C ATOM 546 CD GLN A 38 1.311 12.262 6.310 1.00 1.11 C ATOM 547 OE1 GLN A 38 0.987 11.483 7.206 1.00 1.74 O ATOM 548 NE2 GLN A 38 1.392 13.573 6.496 1.00 1.84 N ATOM 0 H GLN A 38 4.533 10.816 3.893 1.00 0.36 H new ATOM 0 HA GLN A 38 3.520 10.877 6.620 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.419 10.032 3.915 1.00 0.42 H new ATOM 0 HB3 GLN A 38 1.554 9.669 5.395 1.00 0.42 H new ATOM 0 HG2 GLN A 38 2.331 12.446 4.436 1.00 0.74 H new ATOM 0 HG3 GLN A 38 0.734 11.735 4.317 1.00 0.74 H new ATOM 0 HE21 GLN A 38 1.665 14.182 5.724 1.00 1.84 H new ATOM 0 HE22 GLN A 38 1.182 13.972 7.411 1.00 1.84 H new ATOM 557 N LEU A 39 4.961 8.280 5.563 1.00 0.41 N ATOM 558 CA LEU A 39 5.290 6.889 5.871 1.00 0.53 C ATOM 559 C LEU A 39 6.794 6.637 5.901 1.00 0.51 C ATOM 560 O LEU A 39 7.371 6.416 6.965 1.00 0.61 O ATOM 561 CB LEU A 39 4.637 5.963 4.847 1.00 0.69 C ATOM 562 CG LEU A 39 3.112 6.037 4.796 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.602 5.509 3.468 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.507 5.256 5.952 1.00 1.07 C ATOM 0 H LEU A 39 5.616 8.748 4.937 1.00 0.41 H new ATOM 0 HA LEU A 39 4.904 6.681 6.869 1.00 0.53 H new ATOM 0 HB2 LEU A 39 5.031 6.201 3.859 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.930 4.937 5.068 1.00 0.69 H new ATOM 0 HG LEU A 39 2.809 7.080 4.890 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.514 5.568 3.447 1.00 1.09 H new ATOM 0 HD12 LEU A 39 3.014 6.108 2.656 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.911 4.471 3.346 1.00 1.09 H new ATOM 0 HD21 LEU A 39 1.420 5.317 5.903 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.815 4.212 5.887 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.852 5.678 6.896 1.00 1.07 H new ATOM 576 N TYR A 40 7.419 6.657 4.728 1.00 0.46 N ATOM 577 CA TYR A 40 8.854 6.405 4.619 1.00 0.48 C ATOM 578 C TYR A 40 9.643 7.700 4.431 1.00 0.42 C ATOM 579 O TYR A 40 9.834 8.151 3.306 1.00 0.46 O ATOM 580 CB TYR A 40 9.142 5.450 3.454 1.00 0.58 C ATOM 581 CG TYR A 40 8.102 5.487 2.354 1.00 0.63 C ATOM 582 CD1 TYR A 40 8.188 6.410 1.317 1.00 0.89 C ATOM 583 CD2 TYR A 40 7.033 4.598 2.354 1.00 0.99 C ATOM 584 CE1 TYR A 40 7.240 6.443 0.313 1.00 1.30 C ATOM 585 CE2 TYR A 40 6.082 4.627 1.352 1.00 1.38 C ATOM 586 CZ TYR A 40 6.193 5.555 0.333 1.00 1.48 C ATOM 587 OH TYR A 40 5.246 5.587 -0.665 1.00 1.97 O ATOM 0 H TYR A 40 6.956 6.845 3.839 1.00 0.46 H new ATOM 0 HA TYR A 40 9.176 5.945 5.554 1.00 0.48 H new ATOM 0 HB2 TYR A 40 10.115 5.696 3.028 1.00 0.58 H new ATOM 0 HB3 TYR A 40 9.211 4.433 3.840 1.00 0.58 H new ATOM 0 HD1 TYR A 40 9.009 7.112 1.297 1.00 0.89 H new ATOM 0 HD2 TYR A 40 6.945 3.873 3.150 1.00 0.99 H new ATOM 0 HE1 TYR A 40 7.322 7.165 -0.486 1.00 1.30 H new ATOM 0 HE2 TYR A 40 5.258 3.930 1.365 1.00 1.38 H new ATOM 0 HH TYR A 40 4.351 5.602 -0.266 1.00 1.97 H new ATOM 597 N PRO A 41 10.119 8.313 5.533 1.00 0.47 N ATOM 598 CA PRO A 41 10.896 9.553 5.467 1.00 0.51 C ATOM 599 C PRO A 41 12.334 9.301 5.029 1.00 0.57 C ATOM 600 O PRO A 41 13.039 10.222 4.617 1.00 0.79 O ATOM 601 CB PRO A 41 10.860 10.060 6.907 1.00 0.66 C ATOM 602 CG PRO A 41 10.768 8.823 7.727 1.00 0.75 C ATOM 603 CD PRO A 41 9.937 7.856 6.926 1.00 0.62 C ATOM 0 HA PRO A 41 10.492 10.258 4.740 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.755 10.633 7.150 1.00 0.66 H new ATOM 0 HB3 PRO A 41 10.006 10.715 7.077 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.758 8.413 7.928 1.00 0.75 H new ATOM 0 HG3 PRO A 41 10.306 9.028 8.693 1.00 0.75 H new ATOM 0 HD2 PRO A 41 10.277 6.829 7.059 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.889 7.885 7.224 1.00 0.62 H new ATOM 611 N GLU A 42 12.763 8.044 5.122 1.00 0.48 N ATOM 612 CA GLU A 42 14.116 7.667 4.734 1.00 0.55 C ATOM 613 C GLU A 42 14.241 7.586 3.217 1.00 0.57 C ATOM 614 O GLU A 42 15.282 7.928 2.653 1.00 0.71 O ATOM 615 CB GLU A 42 14.506 6.329 5.368 1.00 0.59 C ATOM 616 CG GLU A 42 13.538 5.200 5.061 1.00 0.58 C ATOM 617 CD GLU A 42 13.992 3.874 5.640 1.00 0.72 C ATOM 618 OE1 GLU A 42 13.784 3.652 6.851 1.00 0.87 O ATOM 619 OE2 GLU A 42 14.557 3.058 4.882 1.00 0.94 O ATOM 0 H GLU A 42 12.192 7.271 5.463 1.00 0.48 H new ATOM 0 HA GLU A 42 14.797 8.437 5.097 1.00 0.55 H new ATOM 0 HB2 GLU A 42 15.500 6.048 5.019 1.00 0.59 H new ATOM 0 HB3 GLU A 42 14.572 6.455 6.449 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.555 5.450 5.460 1.00 0.58 H new ATOM 0 HG3 GLU A 42 13.428 5.103 3.981 1.00 0.58 H new ATOM 626 N VAL A 43 13.178 7.132 2.557 1.00 0.52 N ATOM 627 CA VAL A 43 13.176 7.021 1.108 1.00 0.60 C ATOM 628 C VAL A 43 12.755 8.341 0.482 1.00 0.51 C ATOM 629 O VAL A 43 11.823 8.978 0.962 1.00 0.52 O ATOM 630 CB VAL A 43 12.239 5.890 0.630 1.00 0.74 C ATOM 631 CG1 VAL A 43 11.459 6.295 -0.616 1.00 0.90 C ATOM 632 CG2 VAL A 43 13.044 4.637 0.360 1.00 0.99 C ATOM 0 H VAL A 43 12.311 6.837 3.005 1.00 0.52 H new ATOM 0 HA VAL A 43 14.190 6.777 0.791 1.00 0.60 H new ATOM 0 HB VAL A 43 11.516 5.694 1.422 1.00 0.74 H new ATOM 0 HG11 VAL A 43 10.811 5.474 -0.922 1.00 0.90 H new ATOM 0 HG12 VAL A 43 10.852 7.174 -0.396 1.00 0.90 H new ATOM 0 HG13 VAL A 43 12.155 6.527 -1.422 1.00 0.90 H new ATOM 0 HG21 VAL A 43 12.378 3.842 0.023 1.00 0.99 H new ATOM 0 HG22 VAL A 43 13.786 4.841 -0.412 1.00 0.99 H new ATOM 0 HG23 VAL A 43 13.548 4.324 1.274 1.00 0.99 H new ATOM 642 N PRO A 44 13.431 8.776 -0.592 1.00 0.56 N ATOM 643 CA PRO A 44 13.095 10.030 -1.252 1.00 0.54 C ATOM 644 C PRO A 44 11.845 9.906 -2.122 1.00 0.54 C ATOM 645 O PRO A 44 11.475 8.804 -2.527 1.00 0.60 O ATOM 646 CB PRO A 44 14.329 10.320 -2.104 1.00 0.64 C ATOM 647 CG PRO A 44 14.887 8.977 -2.423 1.00 0.67 C ATOM 648 CD PRO A 44 14.566 8.094 -1.243 1.00 0.76 C ATOM 0 HA PRO A 44 12.862 10.823 -0.541 1.00 0.54 H new ATOM 0 HB2 PRO A 44 14.066 10.866 -3.010 1.00 0.64 H new ATOM 0 HB3 PRO A 44 15.051 10.931 -1.562 1.00 0.64 H new ATOM 0 HG2 PRO A 44 14.446 8.580 -3.337 1.00 0.67 H new ATOM 0 HG3 PRO A 44 15.963 9.032 -2.586 1.00 0.67 H new ATOM 0 HD2 PRO A 44 14.299 7.086 -1.559 1.00 0.76 H new ATOM 0 HD3 PRO A 44 15.418 8.002 -0.569 1.00 0.76 H new ATOM 656 N PRO A 45 11.172 11.035 -2.419 1.00 0.56 N ATOM 657 CA PRO A 45 9.956 11.041 -3.240 1.00 0.67 C ATOM 658 C PRO A 45 10.240 10.740 -4.711 1.00 0.77 C ATOM 659 O PRO A 45 9.445 11.086 -5.585 1.00 1.08 O ATOM 660 CB PRO A 45 9.417 12.472 -3.086 1.00 0.72 C ATOM 661 CG PRO A 45 10.188 13.070 -1.957 1.00 0.63 C ATOM 662 CD PRO A 45 11.523 12.392 -1.979 1.00 0.56 C ATOM 0 HA PRO A 45 9.255 10.270 -2.920 1.00 0.67 H new ATOM 0 HB2 PRO A 45 9.556 13.045 -4.003 1.00 0.72 H new ATOM 0 HB3 PRO A 45 8.348 12.468 -2.872 1.00 0.72 H new ATOM 0 HG2 PRO A 45 10.293 14.148 -2.081 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.681 12.907 -1.006 1.00 0.63 H new ATOM 0 HD2 PRO A 45 12.215 12.877 -2.667 1.00 0.56 H new ATOM 0 HD3 PRO A 45 11.997 12.392 -0.997 1.00 0.56 H new ATOM 670 N GLU A 46 11.373 10.094 -4.980 1.00 0.65 N ATOM 671 CA GLU A 46 11.756 9.755 -6.347 1.00 0.77 C ATOM 672 C GLU A 46 12.238 8.309 -6.446 1.00 0.71 C ATOM 673 O GLU A 46 11.880 7.591 -7.379 1.00 0.81 O ATOM 674 CB GLU A 46 12.852 10.705 -6.835 1.00 0.92 C ATOM 675 CG GLU A 46 13.281 10.459 -8.272 1.00 1.61 C ATOM 676 CD GLU A 46 14.381 11.401 -8.719 1.00 2.17 C ATOM 677 OE1 GLU A 46 14.057 12.497 -9.223 1.00 2.25 O ATOM 678 OE2 GLU A 46 15.568 11.043 -8.567 1.00 3.02 O ATOM 0 H GLU A 46 12.041 9.795 -4.269 1.00 0.65 H new ATOM 0 HA GLU A 46 10.875 9.862 -6.980 1.00 0.77 H new ATOM 0 HB2 GLU A 46 12.498 11.732 -6.742 1.00 0.92 H new ATOM 0 HB3 GLU A 46 13.721 10.607 -6.184 1.00 0.92 H new ATOM 0 HG2 GLU A 46 13.625 9.430 -8.374 1.00 1.61 H new ATOM 0 HG3 GLU A 46 12.419 10.574 -8.930 1.00 1.61 H new ATOM 685 N GLU A 47 13.051 7.887 -5.481 1.00 0.63 N ATOM 686 CA GLU A 47 13.582 6.526 -5.472 1.00 0.66 C ATOM 687 C GLU A 47 12.656 5.575 -4.719 1.00 0.55 C ATOM 688 O GLU A 47 13.086 4.533 -4.228 1.00 0.59 O ATOM 689 CB GLU A 47 14.979 6.502 -4.848 1.00 0.81 C ATOM 690 CG GLU A 47 16.006 7.309 -5.626 1.00 1.25 C ATOM 691 CD GLU A 47 17.384 7.264 -4.994 1.00 1.42 C ATOM 692 OE1 GLU A 47 18.163 6.349 -5.334 1.00 1.62 O ATOM 693 OE2 GLU A 47 17.683 8.145 -4.161 1.00 1.58 O ATOM 0 H GLU A 47 13.356 8.465 -4.698 1.00 0.63 H new ATOM 0 HA GLU A 47 13.648 6.188 -6.506 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.920 6.889 -3.831 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.319 5.469 -4.777 1.00 0.81 H new ATOM 0 HG2 GLU A 47 16.065 6.928 -6.645 1.00 1.25 H new ATOM 0 HG3 GLU A 47 15.674 8.345 -5.692 1.00 1.25 H new ATOM 700 N PHE A 48 11.387 5.950 -4.613 1.00 0.48 N ATOM 701 CA PHE A 48 10.397 5.121 -3.934 1.00 0.45 C ATOM 702 C PHE A 48 9.905 3.994 -4.844 1.00 0.41 C ATOM 703 O PHE A 48 9.387 2.982 -4.378 1.00 0.45 O ATOM 704 CB PHE A 48 9.217 5.974 -3.459 1.00 0.54 C ATOM 705 CG PHE A 48 8.409 6.577 -4.576 1.00 1.39 C ATOM 706 CD1 PHE A 48 8.849 7.721 -5.221 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.216 6.001 -4.980 1.00 1.41 C ATOM 708 CE1 PHE A 48 8.114 8.279 -6.250 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.476 6.555 -6.007 1.00 2.36 C ATOM 710 CZ PHE A 48 6.910 7.687 -6.637 1.00 3.35 C ATOM 0 H PHE A 48 11.018 6.824 -4.989 1.00 0.48 H new ATOM 0 HA PHE A 48 10.876 4.671 -3.065 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.562 5.359 -2.842 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.594 6.775 -2.823 1.00 0.54 H new ATOM 0 HD1 PHE A 48 9.777 8.182 -4.916 1.00 2.39 H new ATOM 0 HD2 PHE A 48 6.860 5.109 -4.487 1.00 1.41 H new ATOM 0 HE1 PHE A 48 8.469 9.167 -6.752 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.550 6.091 -6.313 1.00 2.36 H new ATOM 0 HZ PHE A 48 6.323 8.123 -7.432 1.00 3.35 H new ATOM 720 N ARG A 49 10.066 4.187 -6.146 1.00 0.43 N ATOM 721 CA ARG A 49 9.622 3.213 -7.141 1.00 0.47 C ATOM 722 C ARG A 49 10.366 1.876 -7.041 1.00 0.49 C ATOM 723 O ARG A 49 9.727 0.826 -7.033 1.00 0.52 O ATOM 724 CB ARG A 49 9.789 3.787 -8.544 1.00 0.58 C ATOM 725 CG ARG A 49 9.122 5.139 -8.726 1.00 1.06 C ATOM 726 CD ARG A 49 7.618 5.003 -8.904 1.00 1.14 C ATOM 727 NE ARG A 49 7.277 4.232 -10.095 1.00 1.80 N ATOM 728 CZ ARG A 49 6.048 4.151 -10.596 1.00 2.30 C ATOM 729 NH1 ARG A 49 5.044 4.790 -10.009 1.00 2.42 N ATOM 730 NH2 ARG A 49 5.822 3.429 -11.684 1.00 3.07 N ATOM 0 H ARG A 49 10.505 5.017 -6.543 1.00 0.43 H new ATOM 0 HA ARG A 49 8.570 3.013 -6.937 1.00 0.47 H new ATOM 0 HB2 ARG A 49 10.852 3.882 -8.766 1.00 0.58 H new ATOM 0 HB3 ARG A 49 9.374 3.085 -9.267 1.00 0.58 H new ATOM 0 HG2 ARG A 49 9.331 5.768 -7.860 1.00 1.06 H new ATOM 0 HG3 ARG A 49 9.548 5.641 -9.595 1.00 1.06 H new ATOM 0 HD2 ARG A 49 7.191 4.520 -8.025 1.00 1.14 H new ATOM 0 HD3 ARG A 49 7.170 5.994 -8.973 1.00 1.14 H new ATOM 0 HE ARG A 49 8.024 3.726 -10.570 1.00 1.80 H new ATOM 0 HH11 ARG A 49 5.214 5.346 -9.171 1.00 2.42 H new ATOM 0 HH12 ARG A 49 4.103 4.726 -10.396 1.00 2.42 H new ATOM 0 HH21 ARG A 49 6.591 2.935 -12.137 1.00 3.07 H new ATOM 0 HH22 ARG A 49 4.879 3.367 -12.068 1.00 3.07 H new ATOM 744 N PRO A 50 11.721 1.878 -6.982 1.00 0.52 N ATOM 745 CA PRO A 50 12.499 0.641 -6.900 1.00 0.59 C ATOM 746 C PRO A 50 11.913 -0.347 -5.904 1.00 0.58 C ATOM 747 O PRO A 50 11.902 -1.553 -6.156 1.00 0.68 O ATOM 748 CB PRO A 50 13.898 1.095 -6.458 1.00 0.63 C ATOM 749 CG PRO A 50 13.814 2.574 -6.253 1.00 0.58 C ATOM 750 CD PRO A 50 12.598 3.054 -6.996 1.00 0.54 C ATOM 0 HA PRO A 50 12.506 0.113 -7.854 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.198 0.591 -5.539 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.644 0.849 -7.214 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.736 2.812 -5.192 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.712 3.066 -6.625 1.00 0.58 H new ATOM 0 HD2 PRO A 50 12.135 3.909 -6.504 1.00 0.54 H new ATOM 0 HD3 PRO A 50 12.842 3.364 -8.012 1.00 0.54 H new ATOM 758 N PHE A 51 11.425 0.154 -4.774 1.00 0.49 N ATOM 759 CA PHE A 51 10.824 -0.717 -3.783 1.00 0.51 C ATOM 760 C PHE A 51 9.356 -0.916 -4.111 1.00 0.45 C ATOM 761 O PHE A 51 8.789 -1.983 -3.886 1.00 0.52 O ATOM 762 CB PHE A 51 11.010 -0.160 -2.366 1.00 0.60 C ATOM 763 CG PHE A 51 10.010 0.878 -1.921 1.00 0.99 C ATOM 764 CD1 PHE A 51 8.712 0.514 -1.605 1.00 1.29 C ATOM 765 CD2 PHE A 51 10.362 2.219 -1.847 1.00 1.44 C ATOM 766 CE1 PHE A 51 7.786 1.466 -1.222 1.00 1.88 C ATOM 767 CE2 PHE A 51 9.440 3.172 -1.461 1.00 2.02 C ATOM 768 CZ PHE A 51 8.183 2.786 -1.053 1.00 2.20 C ATOM 0 H PHE A 51 11.435 1.144 -4.528 1.00 0.49 H new ATOM 0 HA PHE A 51 11.325 -1.684 -3.811 1.00 0.51 H new ATOM 0 HB2 PHE A 51 10.975 -0.993 -1.663 1.00 0.60 H new ATOM 0 HB3 PHE A 51 12.008 0.274 -2.297 1.00 0.60 H new ATOM 0 HD1 PHE A 51 8.420 -0.524 -1.658 1.00 1.29 H new ATOM 0 HD2 PHE A 51 11.369 2.521 -2.094 1.00 1.44 H new ATOM 0 HE1 PHE A 51 6.757 1.184 -1.055 1.00 1.88 H new ATOM 0 HE2 PHE A 51 9.705 4.219 -1.479 1.00 2.02 H new ATOM 0 HZ PHE A 51 7.511 3.504 -0.605 1.00 2.20 H new ATOM 778 N LEU A 52 8.756 0.136 -4.648 1.00 0.40 N ATOM 779 CA LEU A 52 7.355 0.112 -5.040 1.00 0.43 C ATOM 780 C LEU A 52 7.100 -1.006 -6.043 1.00 0.44 C ATOM 781 O LEU A 52 5.982 -1.499 -6.156 1.00 0.50 O ATOM 782 CB LEU A 52 6.949 1.454 -5.658 1.00 0.55 C ATOM 783 CG LEU A 52 5.643 2.059 -5.134 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.150 3.150 -6.066 1.00 1.33 C ATOM 785 CD2 LEU A 52 4.582 0.987 -4.967 1.00 1.15 C ATOM 0 H LEU A 52 9.223 1.025 -4.823 1.00 0.40 H new ATOM 0 HA LEU A 52 6.757 -0.067 -4.147 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.753 2.170 -5.488 1.00 0.55 H new ATOM 0 HB3 LEU A 52 6.861 1.324 -6.737 1.00 0.55 H new ATOM 0 HG LEU A 52 5.841 2.500 -4.157 1.00 0.56 H new ATOM 0 HD11 LEU A 52 4.221 3.568 -5.678 1.00 1.33 H new ATOM 0 HD12 LEU A 52 5.901 3.937 -6.135 1.00 1.33 H new ATOM 0 HD13 LEU A 52 4.973 2.730 -7.056 1.00 1.33 H new ATOM 0 HD21 LEU A 52 3.663 1.439 -4.594 1.00 1.15 H new ATOM 0 HD22 LEU A 52 4.388 0.514 -5.930 1.00 1.15 H new ATOM 0 HD23 LEU A 52 4.931 0.237 -4.257 1.00 1.15 H new ATOM 797 N ALA A 53 8.141 -1.401 -6.771 1.00 0.48 N ATOM 798 CA ALA A 53 8.019 -2.468 -7.758 1.00 0.59 C ATOM 799 C ALA A 53 7.450 -3.723 -7.111 1.00 0.60 C ATOM 800 O ALA A 53 6.873 -4.580 -7.780 1.00 0.76 O ATOM 801 CB ALA A 53 9.370 -2.762 -8.389 1.00 0.67 C ATOM 0 H ALA A 53 9.076 -0.999 -6.696 1.00 0.48 H new ATOM 0 HA ALA A 53 7.335 -2.141 -8.542 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.263 -3.560 -9.123 1.00 0.67 H new ATOM 0 HB2 ALA A 53 9.745 -1.864 -8.881 1.00 0.67 H new ATOM 0 HB3 ALA A 53 10.073 -3.072 -7.616 1.00 0.67 H new ATOM 807 N LYS A 54 7.624 -3.813 -5.798 1.00 0.51 N ATOM 808 CA LYS A 54 7.135 -4.946 -5.026 1.00 0.55 C ATOM 809 C LYS A 54 5.919 -4.551 -4.188 1.00 0.48 C ATOM 810 O LYS A 54 5.225 -5.407 -3.638 1.00 0.57 O ATOM 811 CB LYS A 54 8.249 -5.469 -4.119 1.00 0.62 C ATOM 812 CG LYS A 54 9.354 -6.195 -4.872 1.00 0.76 C ATOM 813 CD LYS A 54 10.490 -6.602 -3.946 1.00 0.94 C ATOM 814 CE LYS A 54 11.250 -5.393 -3.423 1.00 1.21 C ATOM 815 NZ LYS A 54 12.357 -5.786 -2.510 1.00 1.84 N ATOM 0 H LYS A 54 8.105 -3.106 -5.242 1.00 0.51 H new ATOM 0 HA LYS A 54 6.830 -5.732 -5.717 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.683 -4.633 -3.570 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.818 -6.145 -3.381 1.00 0.62 H new ATOM 0 HG2 LYS A 54 8.943 -7.081 -5.356 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.741 -5.551 -5.662 1.00 0.76 H new ATOM 0 HD2 LYS A 54 10.089 -7.171 -3.107 1.00 0.94 H new ATOM 0 HD3 LYS A 54 11.176 -7.260 -4.479 1.00 0.94 H new ATOM 0 HE2 LYS A 54 11.655 -4.828 -4.262 1.00 1.21 H new ATOM 0 HE3 LYS A 54 10.562 -4.732 -2.896 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 12.850 -4.934 -2.175 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 11.968 -6.303 -1.696 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 13.027 -6.396 -3.020 1.00 1.84 H new ATOM 829 N MET A 55 5.672 -3.248 -4.098 1.00 0.38 N ATOM 830 CA MET A 55 4.551 -2.720 -3.324 1.00 0.34 C ATOM 831 C MET A 55 3.578 -1.943 -4.216 1.00 0.33 C ATOM 832 O MET A 55 2.784 -1.141 -3.725 1.00 0.35 O ATOM 833 CB MET A 55 5.075 -1.806 -2.210 1.00 0.33 C ATOM 834 CG MET A 55 5.808 -2.546 -1.098 1.00 0.42 C ATOM 835 SD MET A 55 7.412 -3.183 -1.617 1.00 1.95 S ATOM 836 CE MET A 55 8.039 -3.824 -0.068 1.00 2.78 C ATOM 0 H MET A 55 6.237 -2.532 -4.555 1.00 0.38 H new ATOM 0 HA MET A 55 4.014 -3.562 -2.887 1.00 0.34 H new ATOM 0 HB2 MET A 55 5.747 -1.067 -2.646 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.237 -1.259 -1.778 1.00 0.33 H new ATOM 0 HG2 MET A 55 5.947 -1.874 -0.251 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.190 -3.373 -0.750 1.00 0.42 H new ATOM 0 HE1 MET A 55 9.028 -4.253 -0.226 1.00 2.78 H new ATOM 0 HE2 MET A 55 8.106 -3.015 0.660 1.00 2.78 H new ATOM 0 HE3 MET A 55 7.365 -4.594 0.307 1.00 2.78 H new ATOM 846 N ARG A 56 3.638 -2.192 -5.523 1.00 0.37 N ATOM 847 CA ARG A 56 2.772 -1.501 -6.480 1.00 0.42 C ATOM 848 C ARG A 56 1.582 -2.363 -6.881 1.00 0.41 C ATOM 849 O ARG A 56 0.494 -1.848 -7.134 1.00 0.43 O ATOM 850 CB ARG A 56 3.562 -1.110 -7.731 1.00 0.54 C ATOM 851 CG ARG A 56 4.167 -2.297 -8.463 1.00 1.09 C ATOM 852 CD ARG A 56 4.988 -1.853 -9.662 1.00 1.35 C ATOM 853 NE ARG A 56 4.164 -1.222 -10.691 1.00 1.81 N ATOM 854 CZ ARG A 56 4.555 -1.061 -11.952 1.00 2.37 C ATOM 855 NH1 ARG A 56 5.746 -1.499 -12.341 1.00 2.58 N ATOM 856 NH2 ARG A 56 3.752 -0.469 -12.825 1.00 3.05 N ATOM 0 H ARG A 56 4.276 -2.867 -5.945 1.00 0.37 H new ATOM 0 HA ARG A 56 2.397 -0.603 -5.990 1.00 0.42 H new ATOM 0 HB2 ARG A 56 2.904 -0.570 -8.412 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.360 -0.423 -7.447 1.00 0.54 H new ATOM 0 HG2 ARG A 56 4.798 -2.864 -7.779 1.00 1.09 H new ATOM 0 HG3 ARG A 56 3.372 -2.966 -8.793 1.00 1.09 H new ATOM 0 HD2 ARG A 56 5.757 -1.153 -9.335 1.00 1.35 H new ATOM 0 HD3 ARG A 56 5.502 -2.715 -10.088 1.00 1.35 H new ATOM 0 HE ARG A 56 3.238 -0.886 -10.427 1.00 1.81 H new ATOM 0 HH11 ARG A 56 6.363 -1.960 -11.672 1.00 2.58 H new ATOM 0 HH12 ARG A 56 6.044 -1.375 -13.309 1.00 2.58 H new ATOM 0 HH21 ARG A 56 2.834 -0.137 -12.530 1.00 3.05 H new ATOM 0 HH22 ARG A 56 4.052 -0.346 -13.792 1.00 3.05 H new ATOM 870 N GLY A 57 1.799 -3.674 -6.950 1.00 0.43 N ATOM 871 CA GLY A 57 0.730 -4.583 -7.324 1.00 0.45 C ATOM 872 C GLY A 57 -0.531 -4.355 -6.516 1.00 0.39 C ATOM 873 O GLY A 57 -1.626 -4.720 -6.941 1.00 0.48 O ATOM 0 H GLY A 57 2.694 -4.122 -6.754 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.506 -4.460 -8.384 1.00 0.45 H new ATOM 0 HA3 GLY A 57 1.066 -5.611 -7.186 1.00 0.45 H new ATOM 877 N ILE A 58 -0.371 -3.746 -5.347 1.00 0.41 N ATOM 878 CA ILE A 58 -1.497 -3.461 -4.471 1.00 0.39 C ATOM 879 C ILE A 58 -2.049 -2.059 -4.720 1.00 0.40 C ATOM 880 O ILE A 58 -3.252 -1.828 -4.605 1.00 0.47 O ATOM 881 CB ILE A 58 -1.084 -3.582 -2.995 1.00 0.42 C ATOM 882 CG1 ILE A 58 -0.249 -4.845 -2.779 1.00 0.53 C ATOM 883 CG2 ILE A 58 -2.312 -3.590 -2.098 1.00 0.43 C ATOM 884 CD1 ILE A 58 1.193 -4.558 -2.417 1.00 0.71 C ATOM 0 H ILE A 58 0.532 -3.440 -4.984 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.273 -4.194 -4.693 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.475 -2.717 -2.732 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -0.703 -5.441 -1.987 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -0.275 -5.448 -3.686 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -2.001 -3.676 -1.057 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -2.869 -2.663 -2.235 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -2.947 -4.437 -2.358 1.00 0.43 H new ATOM 0 HD11 ILE A 58 1.727 -5.498 -2.278 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.663 -3.988 -3.219 1.00 0.71 H new ATOM 0 HD13 ILE A 58 1.228 -3.981 -1.493 1.00 0.71 H new ATOM 896 N LEU A 59 -1.161 -1.127 -5.061 1.00 0.44 N ATOM 897 CA LEU A 59 -1.562 0.254 -5.323 1.00 0.49 C ATOM 898 C LEU A 59 -2.474 0.337 -6.545 1.00 0.52 C ATOM 899 O LEU A 59 -3.562 0.904 -6.478 1.00 0.56 O ATOM 900 CB LEU A 59 -0.322 1.148 -5.507 1.00 0.58 C ATOM 901 CG LEU A 59 -0.591 2.624 -5.847 1.00 0.88 C ATOM 902 CD1 LEU A 59 -0.791 2.809 -7.344 1.00 1.39 C ATOM 903 CD2 LEU A 59 -1.794 3.153 -5.076 1.00 1.71 C ATOM 0 H LEU A 59 -0.161 -1.302 -5.162 1.00 0.44 H new ATOM 0 HA LEU A 59 -2.124 0.615 -4.461 1.00 0.49 H new ATOM 0 HB2 LEU A 59 0.267 1.110 -4.590 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.293 0.721 -6.299 1.00 0.58 H new ATOM 0 HG LEU A 59 0.284 3.200 -5.546 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -0.980 3.861 -7.559 1.00 1.39 H new ATOM 0 HD12 LEU A 59 0.105 2.486 -7.874 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -1.642 2.213 -7.674 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -1.961 4.198 -5.335 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.677 2.569 -5.335 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.605 3.071 -4.006 1.00 1.71 H new ATOM 915 N LYS A 60 -2.022 -0.223 -7.661 1.00 0.59 N ATOM 916 CA LYS A 60 -2.805 -0.210 -8.891 1.00 0.68 C ATOM 917 C LYS A 60 -4.080 -1.034 -8.734 1.00 0.65 C ATOM 918 O LYS A 60 -5.012 -0.911 -9.528 1.00 0.74 O ATOM 919 CB LYS A 60 -1.971 -0.744 -10.059 1.00 0.80 C ATOM 920 CG LYS A 60 -1.474 -2.168 -9.860 1.00 0.92 C ATOM 921 CD LYS A 60 -2.457 -3.186 -10.420 1.00 1.07 C ATOM 922 CE LYS A 60 -1.970 -4.611 -10.204 1.00 1.10 C ATOM 923 NZ LYS A 60 -0.658 -4.858 -10.862 1.00 1.60 N ATOM 0 H LYS A 60 -1.119 -0.691 -7.740 1.00 0.59 H new ATOM 0 HA LYS A 60 -3.088 0.821 -9.102 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -2.569 -0.702 -10.969 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -1.114 -0.088 -10.211 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -0.507 -2.288 -10.348 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -1.320 -2.356 -8.797 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -3.428 -3.056 -9.942 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -2.600 -3.007 -11.486 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -1.882 -4.806 -9.135 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -2.709 -5.310 -10.595 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -0.403 -5.861 -10.763 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -0.725 -4.616 -11.871 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 0.072 -4.269 -10.413 1.00 1.60 H new ATOM 937 N SER A 61 -4.108 -1.880 -7.712 1.00 0.55 N ATOM 938 CA SER A 61 -5.261 -2.736 -7.457 1.00 0.55 C ATOM 939 C SER A 61 -6.341 -2.009 -6.656 1.00 0.57 C ATOM 940 O SER A 61 -7.528 -2.128 -6.950 1.00 0.71 O ATOM 941 CB SER A 61 -4.823 -3.996 -6.710 1.00 0.51 C ATOM 942 OG SER A 61 -5.873 -4.945 -6.654 1.00 1.20 O ATOM 0 H SER A 61 -3.345 -1.992 -7.045 1.00 0.55 H new ATOM 0 HA SER A 61 -5.688 -3.011 -8.422 1.00 0.55 H new ATOM 0 HB2 SER A 61 -3.958 -4.435 -7.207 1.00 0.51 H new ATOM 0 HB3 SER A 61 -4.511 -3.734 -5.699 1.00 0.51 H new ATOM 0 HG SER A 61 -5.526 -5.798 -6.318 1.00 1.20 H new ATOM 948 N ILE A 62 -5.925 -1.266 -5.634 1.00 0.50 N ATOM 949 CA ILE A 62 -6.865 -0.537 -4.786 1.00 0.56 C ATOM 950 C ILE A 62 -7.248 0.821 -5.376 1.00 0.64 C ATOM 951 O ILE A 62 -8.417 1.205 -5.358 1.00 0.70 O ATOM 952 CB ILE A 62 -6.288 -0.323 -3.373 1.00 0.55 C ATOM 953 CG1 ILE A 62 -5.969 -1.672 -2.721 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.264 0.472 -2.514 1.00 0.65 C ATOM 955 CD1 ILE A 62 -5.276 -1.550 -1.381 1.00 0.79 C ATOM 0 H ILE A 62 -4.946 -1.153 -5.373 1.00 0.50 H new ATOM 0 HA ILE A 62 -7.762 -1.154 -4.728 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.363 0.248 -3.456 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -6.896 -2.231 -2.592 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.338 -2.252 -3.395 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -6.841 0.614 -1.520 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -7.445 1.444 -2.974 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.205 -0.072 -2.434 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -5.082 -2.545 -0.980 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -4.332 -1.019 -1.506 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -5.914 -0.998 -0.690 1.00 0.79 H new ATOM 967 N ALA A 63 -6.260 1.552 -5.879 1.00 0.68 N ATOM 968 CA ALA A 63 -6.502 2.876 -6.444 1.00 0.79 C ATOM 969 C ALA A 63 -6.958 2.827 -7.902 1.00 0.84 C ATOM 970 O ALA A 63 -8.066 3.252 -8.228 1.00 0.90 O ATOM 971 CB ALA A 63 -5.248 3.730 -6.317 1.00 0.88 C ATOM 0 H ALA A 63 -5.286 1.252 -5.908 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.317 3.322 -5.874 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.435 4.717 -6.741 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -4.982 3.831 -5.265 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.428 3.254 -6.855 1.00 0.88 H new ATOM 977 N SER A 64 -6.099 2.307 -8.773 1.00 0.88 N ATOM 978 CA SER A 64 -6.399 2.238 -10.203 1.00 1.00 C ATOM 979 C SER A 64 -7.519 1.248 -10.524 1.00 0.96 C ATOM 980 O SER A 64 -8.356 1.515 -11.388 1.00 1.11 O ATOM 981 CB SER A 64 -5.139 1.869 -10.986 1.00 1.13 C ATOM 982 OG SER A 64 -5.401 1.811 -12.377 1.00 1.56 O ATOM 0 H SER A 64 -5.188 1.926 -8.516 1.00 0.88 H new ATOM 0 HA SER A 64 -6.747 3.226 -10.503 1.00 1.00 H new ATOM 0 HB2 SER A 64 -4.358 2.603 -10.790 1.00 1.13 H new ATOM 0 HB3 SER A 64 -4.763 0.905 -10.643 1.00 1.13 H new ATOM 0 HG SER A 64 -4.579 1.575 -12.855 1.00 1.56 H new ATOM 988 N ALA A 65 -7.538 0.110 -9.837 1.00 0.84 N ATOM 989 CA ALA A 65 -8.558 -0.906 -10.089 1.00 0.84 C ATOM 990 C ALA A 65 -9.723 -0.805 -9.110 1.00 0.75 C ATOM 991 O ALA A 65 -10.879 -0.994 -9.493 1.00 0.82 O ATOM 992 CB ALA A 65 -7.940 -2.294 -10.036 1.00 0.83 C ATOM 0 H ALA A 65 -6.867 -0.132 -9.108 1.00 0.84 H new ATOM 0 HA ALA A 65 -8.958 -0.728 -11.087 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -8.710 -3.042 -10.225 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -7.161 -2.375 -10.794 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -7.506 -2.461 -9.050 1.00 0.83 H new ATOM 998 N ASP A 66 -9.420 -0.502 -7.850 1.00 0.65 N ATOM 999 CA ASP A 66 -10.448 -0.386 -6.818 1.00 0.65 C ATOM 1000 C ASP A 66 -11.236 -1.685 -6.686 1.00 0.66 C ATOM 1001 O ASP A 66 -12.159 -1.949 -7.457 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.394 0.777 -7.129 1.00 0.75 C ATOM 1003 CG ASP A 66 -12.483 0.928 -6.084 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -12.176 1.413 -4.975 1.00 1.08 O ATOM 1005 OD2 ASP A 66 -13.641 0.564 -6.375 1.00 1.53 O ATOM 0 H ASP A 66 -8.470 -0.332 -7.519 1.00 0.65 H new ATOM 0 HA ASP A 66 -9.951 -0.188 -5.869 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -10.821 1.702 -7.190 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -11.850 0.620 -8.106 1.00 0.75 H new ATOM 1010 N MET A 67 -10.864 -2.493 -5.699 1.00 0.55 N ATOM 1011 CA MET A 67 -11.524 -3.772 -5.464 1.00 0.55 C ATOM 1012 C MET A 67 -12.447 -3.701 -4.250 1.00 0.65 C ATOM 1013 O MET A 67 -12.663 -2.630 -3.685 1.00 0.81 O ATOM 1014 CB MET A 67 -10.480 -4.869 -5.267 1.00 0.49 C ATOM 1015 CG MET A 67 -9.551 -5.041 -6.457 1.00 0.49 C ATOM 1016 SD MET A 67 -10.422 -5.542 -7.953 1.00 1.00 S ATOM 1017 CE MET A 67 -9.056 -5.694 -9.103 1.00 1.52 C ATOM 0 H MET A 67 -10.107 -2.284 -5.048 1.00 0.55 H new ATOM 0 HA MET A 67 -12.132 -4.007 -6.337 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.886 -4.640 -4.382 1.00 0.49 H new ATOM 0 HB3 MET A 67 -10.989 -5.813 -5.074 1.00 0.49 H new ATOM 0 HG2 MET A 67 -9.028 -4.103 -6.643 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.793 -5.786 -6.216 1.00 0.49 H new ATOM 0 HE1 MET A 67 -9.423 -5.574 -10.122 1.00 1.52 H new ATOM 0 HE2 MET A 67 -8.315 -4.923 -8.891 1.00 1.52 H new ATOM 0 HE3 MET A 67 -8.598 -6.677 -8.996 1.00 1.52 H new ATOM 1027 N ASP A 68 -12.988 -4.852 -3.857 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.892 -4.920 -2.713 1.00 0.77 C ATOM 1029 C ASP A 68 -13.224 -5.596 -1.517 1.00 0.67 C ATOM 1030 O ASP A 68 -12.628 -4.927 -0.672 1.00 1.22 O ATOM 1031 CB ASP A 68 -15.174 -5.664 -3.094 1.00 1.02 C ATOM 1032 CG ASP A 68 -15.979 -4.926 -4.145 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -15.584 -4.960 -5.329 1.00 1.92 O ATOM 1034 OD2 ASP A 68 -17.008 -4.314 -3.785 1.00 1.91 O ATOM 0 H ASP A 68 -12.816 -5.748 -4.313 1.00 0.64 H new ATOM 0 HA ASP A 68 -14.145 -3.900 -2.424 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.918 -6.656 -3.466 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.787 -5.806 -2.204 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.327 -6.922 -1.445 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.735 -7.675 -0.342 1.00 0.83 C ATOM 1041 C PHE A 69 -12.126 -8.987 -0.827 1.00 0.99 C ATOM 1042 O PHE A 69 -10.906 -9.112 -0.938 1.00 1.85 O ATOM 1043 CB PHE A 69 -13.787 -7.965 0.731 1.00 1.00 C ATOM 1044 CG PHE A 69 -14.431 -6.732 1.296 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -13.785 -5.977 2.262 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -15.684 -6.329 0.864 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -14.376 -4.842 2.784 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -16.281 -5.195 1.383 1.00 2.52 C ATOM 1049 CZ PHE A 69 -15.625 -4.451 2.345 1.00 3.05 C ATOM 0 H PHE A 69 -13.813 -7.495 -2.135 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.940 -7.063 0.084 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -14.560 -8.605 0.305 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -13.321 -8.524 1.542 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -12.809 -6.279 2.611 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -16.201 -6.908 0.113 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -13.861 -4.261 3.535 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -17.258 -4.891 1.037 1.00 2.52 H new ATOM 0 HZ PHE A 69 -16.089 -3.565 2.753 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.986 -9.962 -1.112 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.539 -11.271 -1.579 1.00 0.89 C ATOM 1061 C ASN A 70 -11.686 -11.143 -2.836 1.00 0.83 C ATOM 1062 O ASN A 70 -10.905 -12.038 -3.161 1.00 1.09 O ATOM 1063 CB ASN A 70 -13.743 -12.171 -1.855 1.00 1.03 C ATOM 1064 CG ASN A 70 -14.663 -11.597 -2.914 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -14.484 -11.838 -4.108 1.00 2.50 O ATOM 1066 ND2 ASN A 70 -15.656 -10.830 -2.480 1.00 2.40 N ATOM 0 H ASN A 70 -13.998 -9.869 -1.027 1.00 0.86 H new ATOM 0 HA ASN A 70 -11.928 -11.719 -0.795 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -13.394 -13.153 -2.175 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -14.303 -12.317 -0.931 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -16.308 -10.414 -3.146 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -15.767 -10.657 -1.481 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.845 -10.028 -3.542 1.00 0.69 N ATOM 1074 CA GLN A 71 -11.087 -9.782 -4.763 1.00 0.68 C ATOM 1075 C GLN A 71 -9.600 -9.634 -4.457 1.00 0.58 C ATOM 1076 O GLN A 71 -8.759 -10.250 -5.113 1.00 0.72 O ATOM 1077 CB GLN A 71 -11.606 -8.528 -5.465 1.00 0.74 C ATOM 1078 CG GLN A 71 -13.050 -8.644 -5.927 1.00 0.88 C ATOM 1079 CD GLN A 71 -13.531 -7.405 -6.658 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -13.076 -6.294 -6.387 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -14.455 -7.591 -7.594 1.00 1.90 N ATOM 0 H GLN A 71 -12.492 -9.281 -3.289 1.00 0.69 H new ATOM 0 HA GLN A 71 -11.219 -10.638 -5.424 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -11.517 -7.679 -4.787 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -10.973 -8.316 -6.327 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -13.149 -9.509 -6.582 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -13.690 -8.823 -5.063 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -14.804 -8.530 -7.786 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -14.815 -6.795 -8.121 1.00 1.90 H new ATOM 1090 N LEU A 72 -9.281 -8.815 -3.459 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.893 -8.592 -3.068 1.00 0.39 C ATOM 1092 C LEU A 72 -7.340 -9.788 -2.300 1.00 0.41 C ATOM 1093 O LEU A 72 -6.147 -10.082 -2.367 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.766 -7.335 -2.205 1.00 0.40 C ATOM 1095 CG LEU A 72 -8.054 -6.012 -2.907 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.858 -4.862 -1.937 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -7.158 -5.844 -4.125 1.00 1.06 C ATOM 0 H LEU A 72 -9.964 -8.296 -2.907 1.00 0.45 H new ATOM 0 HA LEU A 72 -7.315 -8.460 -3.982 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -8.445 -7.430 -1.358 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.755 -7.296 -1.800 1.00 0.40 H new ATOM 0 HG LEU A 72 -9.089 -6.013 -3.248 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -8.065 -3.919 -2.444 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -8.538 -4.978 -1.093 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.829 -4.862 -1.576 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -7.379 -4.894 -4.611 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -6.114 -5.857 -3.813 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -7.338 -6.660 -4.824 1.00 1.06 H new ATOM 1109 N GLU A 73 -8.215 -10.467 -1.567 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.821 -11.629 -0.778 1.00 0.57 C ATOM 1111 C GLU A 73 -7.110 -12.669 -1.642 1.00 0.59 C ATOM 1112 O GLU A 73 -6.260 -13.417 -1.157 1.00 0.68 O ATOM 1113 CB GLU A 73 -9.046 -12.255 -0.108 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.710 -13.410 0.821 1.00 0.75 C ATOM 1115 CD GLU A 73 -9.934 -13.976 1.513 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -10.620 -14.825 0.905 1.00 2.25 O ATOM 1117 OE2 GLU A 73 -10.208 -13.569 2.662 1.00 1.76 O ATOM 0 H GLU A 73 -9.205 -10.232 -1.502 1.00 0.49 H new ATOM 0 HA GLU A 73 -7.125 -11.292 -0.010 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.572 -11.486 0.458 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.731 -12.608 -0.879 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -8.222 -14.200 0.251 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -7.996 -13.072 1.572 1.00 0.75 H new ATOM 1124 N ALA A 74 -7.465 -12.711 -2.923 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.861 -13.659 -3.854 1.00 0.70 C ATOM 1126 C ALA A 74 -5.533 -13.138 -4.395 1.00 0.57 C ATOM 1127 O ALA A 74 -4.667 -13.918 -4.793 1.00 0.60 O ATOM 1128 CB ALA A 74 -7.819 -13.957 -4.999 1.00 0.89 C ATOM 0 H ALA A 74 -8.167 -12.100 -3.340 1.00 0.62 H new ATOM 0 HA ALA A 74 -6.661 -14.582 -3.310 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -7.356 -14.665 -5.686 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -8.739 -14.386 -4.601 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -8.049 -13.034 -5.531 1.00 0.89 H new ATOM 1134 N PHE A 75 -5.379 -11.816 -4.408 1.00 0.49 N ATOM 1135 CA PHE A 75 -4.155 -11.196 -4.907 1.00 0.46 C ATOM 1136 C PHE A 75 -3.019 -11.316 -3.897 1.00 0.38 C ATOM 1137 O PHE A 75 -1.890 -11.648 -4.260 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.398 -9.726 -5.245 1.00 0.55 C ATOM 1139 CG PHE A 75 -3.153 -8.998 -5.662 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -2.688 -9.078 -6.965 1.00 0.76 C ATOM 1141 CD2 PHE A 75 -2.451 -8.225 -4.751 1.00 0.67 C ATOM 1142 CE1 PHE A 75 -1.546 -8.404 -7.351 1.00 0.88 C ATOM 1143 CE2 PHE A 75 -1.309 -7.546 -5.131 1.00 0.82 C ATOM 1144 CZ PHE A 75 -0.838 -7.667 -6.432 1.00 0.91 C ATOM 0 H PHE A 75 -6.084 -11.156 -4.080 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.863 -11.727 -5.813 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -5.134 -9.662 -6.047 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.828 -9.227 -4.377 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -3.225 -9.675 -7.687 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -2.801 -8.152 -3.732 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -1.209 -8.456 -8.376 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -0.785 -6.924 -4.420 1.00 0.82 H new ATOM 0 HZ PHE A 75 0.083 -7.183 -6.721 1.00 0.91 H new ATOM 1154 N LEU A 76 -3.319 -11.035 -2.633 1.00 0.33 N ATOM 1155 CA LEU A 76 -2.316 -11.114 -1.578 1.00 0.36 C ATOM 1156 C LEU A 76 -1.671 -12.494 -1.555 1.00 0.40 C ATOM 1157 O LEU A 76 -0.493 -12.636 -1.223 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.950 -10.800 -0.221 1.00 0.43 C ATOM 1159 CG LEU A 76 -2.079 -9.977 0.733 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -0.814 -10.733 1.106 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.734 -8.633 0.110 1.00 0.80 C ATOM 0 H LEU A 76 -4.246 -10.751 -2.315 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.540 -10.376 -1.781 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.883 -10.262 -0.390 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -3.207 -11.740 0.268 1.00 0.43 H new ATOM 0 HG LEU A 76 -2.648 -9.802 1.646 1.00 0.55 H new ATOM 0 HD11 LEU A 76 -0.214 -10.126 1.784 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -1.081 -11.669 1.597 1.00 0.82 H new ATOM 0 HD13 LEU A 76 -0.239 -10.947 0.205 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -1.115 -8.060 0.800 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -1.188 -8.792 -0.820 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -2.651 -8.082 -0.097 1.00 0.80 H new ATOM 1173 N THR A 77 -2.449 -13.511 -1.916 1.00 0.41 N ATOM 1174 CA THR A 77 -1.945 -14.875 -1.953 1.00 0.49 C ATOM 1175 C THR A 77 -0.767 -14.972 -2.914 1.00 0.47 C ATOM 1176 O THR A 77 0.181 -15.723 -2.685 1.00 0.53 O ATOM 1177 CB THR A 77 -3.038 -15.871 -2.387 1.00 0.63 C ATOM 1178 OG1 THR A 77 -4.168 -15.768 -1.513 1.00 0.73 O ATOM 1179 CG2 THR A 77 -2.510 -17.298 -2.371 1.00 0.71 C ATOM 0 H THR A 77 -3.428 -13.414 -2.186 1.00 0.41 H new ATOM 0 HA THR A 77 -1.624 -15.134 -0.944 1.00 0.49 H new ATOM 0 HB THR A 77 -3.339 -15.623 -3.405 1.00 0.63 H new ATOM 0 HG1 THR A 77 -4.628 -14.918 -1.672 1.00 0.73 H new ATOM 0 HG21 THR A 77 -3.300 -17.982 -2.681 1.00 0.71 H new ATOM 0 HG22 THR A 77 -1.667 -17.382 -3.057 1.00 0.71 H new ATOM 0 HG23 THR A 77 -2.184 -17.554 -1.363 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.838 -14.200 -3.994 1.00 0.45 N ATOM 1188 CA ALA A 78 0.219 -14.177 -4.994 1.00 0.52 C ATOM 1189 C ALA A 78 1.484 -13.544 -4.427 1.00 0.53 C ATOM 1190 O ALA A 78 2.596 -13.958 -4.752 1.00 0.67 O ATOM 1191 CB ALA A 78 -0.245 -13.421 -6.233 1.00 0.60 C ATOM 0 H ALA A 78 -1.622 -13.580 -4.198 1.00 0.45 H new ATOM 0 HA ALA A 78 0.449 -15.204 -5.276 1.00 0.52 H new ATOM 0 HB1 ALA A 78 0.555 -13.411 -6.974 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -1.122 -13.914 -6.653 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -0.500 -12.397 -5.960 1.00 0.60 H new ATOM 1197 N GLN A 79 1.307 -12.538 -3.574 1.00 0.47 N ATOM 1198 CA GLN A 79 2.439 -11.858 -2.957 1.00 0.53 C ATOM 1199 C GLN A 79 3.129 -12.779 -1.960 1.00 0.54 C ATOM 1200 O GLN A 79 2.648 -13.881 -1.696 1.00 1.06 O ATOM 1201 CB GLN A 79 1.985 -10.576 -2.258 1.00 0.56 C ATOM 1202 CG GLN A 79 1.290 -9.594 -3.186 1.00 0.96 C ATOM 1203 CD GLN A 79 1.730 -8.157 -2.963 1.00 1.23 C ATOM 1204 OE1 GLN A 79 2.111 -7.833 -1.732 1.00 2.20 O flip ATOM 1205 NE2 GLN A 79 1.730 -7.348 -3.891 1.00 0.61 N flip ATOM 0 H GLN A 79 0.394 -12.178 -3.296 1.00 0.47 H new ATOM 0 HA GLN A 79 3.147 -11.592 -3.742 1.00 0.53 H new ATOM 0 HB2 GLN A 79 1.308 -10.835 -1.444 1.00 0.56 H new ATOM 0 HB3 GLN A 79 2.851 -10.089 -1.810 1.00 0.56 H new ATOM 0 HG2 GLN A 79 1.492 -9.874 -4.220 1.00 0.96 H new ATOM 0 HG3 GLN A 79 0.212 -9.665 -3.041 1.00 0.96 H new ATOM 0 HE21 GLN A 79 1.430 -7.639 -4.821 1.00 0.61 H new ATOM 0 HE22 GLN A 79 2.031 -6.387 -3.730 1.00 0.61 H new ATOM 1214 N THR A 80 4.254 -12.317 -1.412 1.00 0.63 N ATOM 1215 CA THR A 80 5.035 -13.093 -0.445 1.00 0.65 C ATOM 1216 C THR A 80 5.116 -14.566 -0.846 1.00 0.64 C ATOM 1217 O THR A 80 5.262 -15.451 -0.002 1.00 0.73 O ATOM 1218 CB THR A 80 4.477 -12.963 0.994 1.00 0.77 C ATOM 1219 OG1 THR A 80 5.303 -13.695 1.906 1.00 1.31 O ATOM 1220 CG2 THR A 80 3.043 -13.468 1.095 1.00 0.44 C ATOM 0 H THR A 80 4.648 -11.400 -1.624 1.00 0.63 H new ATOM 0 HA THR A 80 6.041 -12.674 -0.453 1.00 0.65 H new ATOM 0 HB THR A 80 4.482 -11.904 1.252 1.00 0.77 H new ATOM 0 HG1 THR A 80 5.520 -14.569 1.521 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.690 -13.359 2.121 1.00 0.44 H new ATOM 0 HG22 THR A 80 2.405 -12.888 0.428 1.00 0.44 H new ATOM 0 HG23 THR A 80 3.006 -14.519 0.809 1.00 0.44 H new ATOM 1228 N LYS A 81 5.034 -14.811 -2.152 1.00 0.68 N ATOM 1229 CA LYS A 81 5.100 -16.161 -2.700 1.00 0.71 C ATOM 1230 C LYS A 81 5.720 -16.141 -4.094 1.00 0.69 C ATOM 1231 O LYS A 81 6.262 -17.144 -4.561 1.00 0.81 O ATOM 1232 CB LYS A 81 3.702 -16.785 -2.755 1.00 0.76 C ATOM 1233 CG LYS A 81 3.159 -17.178 -1.390 1.00 1.54 C ATOM 1234 CD LYS A 81 1.925 -18.056 -1.507 1.00 1.55 C ATOM 1235 CE LYS A 81 1.357 -18.403 -0.141 1.00 2.12 C ATOM 1236 NZ LYS A 81 0.964 -17.185 0.620 1.00 3.02 N ATOM 0 H LYS A 81 4.920 -14.082 -2.856 1.00 0.68 H new ATOM 0 HA LYS A 81 5.728 -16.766 -2.046 1.00 0.71 H new ATOM 0 HB2 LYS A 81 3.015 -16.078 -3.221 1.00 0.76 H new ATOM 0 HB3 LYS A 81 3.732 -17.668 -3.393 1.00 0.76 H new ATOM 0 HG2 LYS A 81 3.930 -17.707 -0.830 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.914 -16.280 -0.824 1.00 1.54 H new ATOM 0 HD2 LYS A 81 1.167 -17.543 -2.098 1.00 1.55 H new ATOM 0 HD3 LYS A 81 2.178 -18.972 -2.040 1.00 1.55 H new ATOM 0 HE2 LYS A 81 0.489 -19.052 -0.262 1.00 2.12 H new ATOM 0 HE3 LYS A 81 2.098 -18.964 0.429 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 0.038 -17.339 1.068 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 1.675 -16.990 1.354 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 0.904 -16.374 -0.029 1.00 3.02 H new ATOM 1250 N LYS A 82 5.635 -14.987 -4.752 1.00 0.66 N ATOM 1251 CA LYS A 82 6.188 -14.821 -6.092 1.00 0.74 C ATOM 1252 C LYS A 82 7.709 -14.705 -6.045 1.00 0.78 C ATOM 1253 O LYS A 82 8.328 -14.956 -5.011 1.00 0.83 O ATOM 1254 CB LYS A 82 5.598 -13.580 -6.760 1.00 0.72 C ATOM 1255 CG LYS A 82 5.602 -12.348 -5.874 1.00 0.67 C ATOM 1256 CD LYS A 82 5.150 -11.117 -6.640 1.00 0.77 C ATOM 1257 CE LYS A 82 4.240 -10.246 -5.795 1.00 0.76 C ATOM 1258 NZ LYS A 82 3.802 -9.026 -6.526 1.00 1.09 N ATOM 0 H LYS A 82 5.187 -14.151 -4.377 1.00 0.66 H new ATOM 0 HA LYS A 82 5.924 -15.703 -6.675 1.00 0.74 H new ATOM 0 HB2 LYS A 82 6.161 -13.365 -7.668 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.573 -13.795 -7.064 1.00 0.72 H new ATOM 0 HG2 LYS A 82 4.944 -12.509 -5.020 1.00 0.67 H new ATOM 0 HG3 LYS A 82 6.604 -12.185 -5.478 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.021 -10.541 -6.953 1.00 0.77 H new ATOM 0 HD3 LYS A 82 4.627 -11.422 -7.546 1.00 0.77 H new ATOM 0 HE2 LYS A 82 3.365 -10.822 -5.493 1.00 0.76 H new ATOM 0 HE3 LYS A 82 4.761 -9.955 -4.883 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 3.182 -8.458 -5.914 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 4.635 -8.463 -6.792 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 3.283 -9.303 -7.383 1.00 1.09 H new ATOM 1272 N GLN A 83 8.303 -14.325 -7.173 1.00 0.87 N ATOM 1273 CA GLN A 83 9.751 -14.167 -7.256 1.00 0.96 C ATOM 1274 C GLN A 83 10.215 -13.040 -6.345 1.00 0.80 C ATOM 1275 O GLN A 83 10.139 -11.865 -6.707 1.00 0.80 O ATOM 1276 CB GLN A 83 10.189 -13.883 -8.696 1.00 1.22 C ATOM 1277 CG GLN A 83 9.241 -12.974 -9.461 1.00 1.37 C ATOM 1278 CD GLN A 83 8.158 -13.740 -10.199 1.00 1.96 C ATOM 1279 OE1 GLN A 83 7.747 -14.821 -9.778 1.00 2.49 O ATOM 1280 NE2 GLN A 83 7.691 -13.179 -11.308 1.00 2.57 N ATOM 0 H GLN A 83 7.805 -14.121 -8.040 1.00 0.87 H new ATOM 0 HA GLN A 83 10.210 -15.101 -6.931 1.00 0.96 H new ATOM 0 HB2 GLN A 83 11.179 -13.428 -8.681 1.00 1.22 H new ATOM 0 HB3 GLN A 83 10.280 -14.828 -9.231 1.00 1.22 H new ATOM 0 HG2 GLN A 83 8.776 -12.275 -8.766 1.00 1.37 H new ATOM 0 HG3 GLN A 83 9.811 -12.381 -10.176 1.00 1.37 H new ATOM 0 HE21 GLN A 83 8.061 -12.281 -11.620 1.00 2.57 H new ATOM 0 HE22 GLN A 83 6.962 -13.646 -11.848 1.00 2.57 H new ATOM 1289 N GLY A 84 10.693 -13.404 -5.161 1.00 0.98 N ATOM 1290 CA GLY A 84 11.150 -12.408 -4.215 1.00 1.14 C ATOM 1291 C GLY A 84 9.995 -11.721 -3.513 1.00 1.22 C ATOM 1292 O GLY A 84 9.717 -12.001 -2.347 1.00 2.05 O ATOM 0 H GLY A 84 10.772 -14.369 -4.841 1.00 0.98 H new ATOM 0 HA2 GLY A 84 11.795 -12.880 -3.474 1.00 1.14 H new ATOM 0 HA3 GLY A 84 11.753 -11.664 -4.735 1.00 1.14 H new ATOM 1296 N GLY A 85 9.315 -10.827 -4.233 1.00 0.69 N ATOM 1297 CA GLY A 85 8.188 -10.110 -3.666 1.00 0.69 C ATOM 1298 C GLY A 85 8.481 -9.561 -2.286 1.00 0.66 C ATOM 1299 O GLY A 85 9.593 -9.108 -2.013 1.00 0.91 O ATOM 0 H GLY A 85 9.528 -10.588 -5.202 1.00 0.69 H new ATOM 0 HA2 GLY A 85 7.914 -9.289 -4.329 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.328 -10.777 -3.612 1.00 0.69 H new ATOM 1303 N ILE A 86 7.481 -9.601 -1.416 1.00 0.49 N ATOM 1304 CA ILE A 86 7.634 -9.112 -0.056 1.00 0.48 C ATOM 1305 C ILE A 86 7.745 -10.272 0.931 1.00 0.50 C ATOM 1306 O ILE A 86 7.468 -11.419 0.582 1.00 0.53 O ATOM 1307 CB ILE A 86 6.453 -8.204 0.332 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.153 -9.013 0.395 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.336 -7.069 -0.677 1.00 0.50 C ATOM 1310 CD1 ILE A 86 3.947 -8.203 0.827 1.00 0.45 C ATOM 0 H ILE A 86 6.554 -9.968 -1.630 1.00 0.49 H new ATOM 0 HA ILE A 86 8.554 -8.529 -0.013 1.00 0.48 H new ATOM 0 HB ILE A 86 6.632 -7.782 1.321 1.00 0.45 H new ATOM 0 HG12 ILE A 86 4.957 -9.444 -0.587 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.287 -9.844 1.087 1.00 0.43 H new ATOM 0 HG21 ILE A 86 5.500 -6.425 -0.404 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.258 -6.487 -0.678 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.166 -7.482 -1.671 1.00 0.50 H new ATOM 0 HD11 ILE A 86 3.066 -8.845 0.847 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.121 -7.794 1.822 1.00 0.45 H new ATOM 0 HD13 ILE A 86 3.785 -7.387 0.123 1.00 0.45 H new ATOM 1322 N THR A 87 8.151 -9.969 2.160 1.00 0.52 N ATOM 1323 CA THR A 87 8.306 -10.997 3.185 1.00 0.57 C ATOM 1324 C THR A 87 6.970 -11.350 3.828 1.00 0.51 C ATOM 1325 O THR A 87 5.946 -10.733 3.534 1.00 0.48 O ATOM 1326 CB THR A 87 9.287 -10.549 4.285 1.00 0.64 C ATOM 1327 OG1 THR A 87 8.771 -9.398 4.963 1.00 1.18 O ATOM 1328 CG2 THR A 87 10.651 -10.229 3.697 1.00 1.27 C ATOM 0 H THR A 87 8.378 -9.024 2.470 1.00 0.52 H new ATOM 0 HA THR A 87 8.706 -11.879 2.684 1.00 0.57 H new ATOM 0 HB THR A 87 9.400 -11.368 4.995 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.400 -9.121 5.662 1.00 1.18 H new ATOM 0 HG21 THR A 87 11.326 -9.915 4.493 1.00 1.27 H new ATOM 0 HG22 THR A 87 11.054 -11.116 3.209 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.553 -9.426 2.967 1.00 1.27 H new ATOM 1336 N SER A 88 6.989 -12.350 4.706 1.00 0.56 N ATOM 1337 CA SER A 88 5.780 -12.790 5.395 1.00 0.53 C ATOM 1338 C SER A 88 5.257 -11.700 6.324 1.00 0.48 C ATOM 1339 O SER A 88 4.071 -11.368 6.300 1.00 0.48 O ATOM 1340 CB SER A 88 6.057 -14.064 6.195 1.00 0.62 C ATOM 1341 OG SER A 88 4.889 -14.513 6.861 1.00 1.53 O ATOM 0 H SER A 88 7.829 -12.871 4.957 1.00 0.56 H new ATOM 0 HA SER A 88 5.020 -12.999 4.642 1.00 0.53 H new ATOM 0 HB2 SER A 88 6.421 -14.845 5.527 1.00 0.62 H new ATOM 0 HB3 SER A 88 6.845 -13.875 6.924 1.00 0.62 H new ATOM 0 HG SER A 88 5.092 -15.329 7.364 1.00 1.53 H new ATOM 1347 N ASP A 89 6.149 -11.150 7.143 1.00 0.51 N ATOM 1348 CA ASP A 89 5.778 -10.096 8.080 1.00 0.51 C ATOM 1349 C ASP A 89 5.254 -8.874 7.335 1.00 0.44 C ATOM 1350 O ASP A 89 4.443 -8.113 7.864 1.00 0.45 O ATOM 1351 CB ASP A 89 6.978 -9.706 8.946 1.00 0.59 C ATOM 1352 CG ASP A 89 6.649 -8.590 9.918 1.00 1.48 C ATOM 1353 OD1 ASP A 89 6.099 -8.888 11.000 1.00 1.85 O ATOM 1354 OD2 ASP A 89 6.941 -7.420 9.598 1.00 2.34 O ATOM 0 H ASP A 89 7.133 -11.417 7.176 1.00 0.51 H new ATOM 0 HA ASP A 89 4.986 -10.477 8.725 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.321 -10.579 9.501 1.00 0.59 H new ATOM 0 HB3 ASP A 89 7.801 -9.394 8.303 1.00 0.59 H new ATOM 1359 N GLN A 90 5.723 -8.695 6.106 1.00 0.44 N ATOM 1360 CA GLN A 90 5.302 -7.568 5.282 1.00 0.42 C ATOM 1361 C GLN A 90 3.901 -7.791 4.726 1.00 0.39 C ATOM 1362 O GLN A 90 3.063 -6.891 4.758 1.00 0.52 O ATOM 1363 CB GLN A 90 6.293 -7.348 4.136 1.00 0.49 C ATOM 1364 CG GLN A 90 7.557 -6.618 4.562 1.00 0.59 C ATOM 1365 CD GLN A 90 8.499 -6.347 3.404 1.00 0.75 C ATOM 1366 OE1 GLN A 90 7.940 -6.131 2.219 1.00 1.63 O flip ATOM 1367 NE2 GLN A 90 9.718 -6.326 3.576 1.00 0.91 N flip ATOM 0 H GLN A 90 6.396 -9.317 5.657 1.00 0.44 H new ATOM 0 HA GLN A 90 5.283 -6.678 5.911 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.566 -8.314 3.711 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.803 -6.779 3.346 1.00 0.49 H new ATOM 0 HG2 GLN A 90 7.284 -5.673 5.031 1.00 0.59 H new ATOM 0 HG3 GLN A 90 8.076 -7.210 5.316 1.00 0.59 H new ATOM 0 HE21 GLN A 90 10.105 -6.497 4.504 1.00 0.91 H new ATOM 0 HE22 GLN A 90 10.341 -6.137 2.791 1.00 0.91 H new ATOM 1376 N ALA A 91 3.650 -8.997 4.225 1.00 0.37 N ATOM 1377 CA ALA A 91 2.350 -9.336 3.658 1.00 0.37 C ATOM 1378 C ALA A 91 1.250 -9.249 4.709 1.00 0.34 C ATOM 1379 O ALA A 91 0.080 -9.056 4.379 1.00 0.40 O ATOM 1380 CB ALA A 91 2.390 -10.725 3.042 1.00 0.45 C ATOM 0 H ALA A 91 4.331 -9.756 4.200 1.00 0.37 H new ATOM 0 HA ALA A 91 2.122 -8.611 2.876 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.413 -10.965 2.623 1.00 0.45 H new ATOM 0 HB2 ALA A 91 3.141 -10.751 2.252 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.645 -11.456 3.809 1.00 0.45 H new ATOM 1386 N ALA A 92 1.629 -9.397 5.974 1.00 0.31 N ATOM 1387 CA ALA A 92 0.670 -9.326 7.069 1.00 0.33 C ATOM 1388 C ALA A 92 0.023 -7.949 7.131 1.00 0.28 C ATOM 1389 O ALA A 92 -1.127 -7.812 7.545 1.00 0.34 O ATOM 1390 CB ALA A 92 1.349 -9.650 8.390 1.00 0.40 C ATOM 0 H ALA A 92 2.592 -9.567 6.265 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.111 -10.064 6.887 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.619 -9.593 9.198 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.765 -10.656 8.348 1.00 0.40 H new ATOM 0 HB3 ALA A 92 2.150 -8.933 8.573 1.00 0.40 H new ATOM 1396 N VAL A 93 0.771 -6.935 6.716 1.00 0.26 N ATOM 1397 CA VAL A 93 0.279 -5.564 6.727 1.00 0.30 C ATOM 1398 C VAL A 93 -0.487 -5.236 5.443 1.00 0.28 C ATOM 1399 O VAL A 93 -1.362 -4.368 5.437 1.00 0.35 O ATOM 1400 CB VAL A 93 1.442 -4.562 6.928 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.643 -3.670 5.709 1.00 0.43 C ATOM 1402 CG2 VAL A 93 1.211 -3.730 8.180 1.00 0.55 C ATOM 0 H VAL A 93 1.724 -7.037 6.367 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.410 -5.471 7.566 1.00 0.30 H new ATOM 0 HB VAL A 93 2.358 -5.139 7.055 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.469 -2.983 5.893 1.00 0.43 H new ATOM 0 HG12 VAL A 93 1.872 -4.287 4.840 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.733 -3.101 5.520 1.00 0.43 H new ATOM 0 HG21 VAL A 93 2.036 -3.030 8.309 1.00 0.55 H new ATOM 0 HG22 VAL A 93 0.277 -3.176 8.082 1.00 0.55 H new ATOM 0 HG23 VAL A 93 1.154 -4.387 9.048 1.00 0.55 H new ATOM 1412 N ILE A 94 -0.153 -5.934 4.360 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.805 -5.708 3.072 1.00 0.25 C ATOM 1414 C ILE A 94 -2.184 -6.357 3.024 1.00 0.25 C ATOM 1415 O ILE A 94 -3.139 -5.750 2.555 1.00 0.28 O ATOM 1416 CB ILE A 94 0.039 -6.258 1.903 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.535 -6.061 2.170 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.365 -5.587 0.597 1.00 0.31 C ATOM 1419 CD1 ILE A 94 1.980 -4.616 2.182 1.00 0.52 C ATOM 0 H ILE A 94 0.564 -6.659 4.348 1.00 0.24 H new ATOM 0 HA ILE A 94 -0.907 -4.628 2.965 1.00 0.25 H new ATOM 0 HB ILE A 94 -0.151 -7.328 1.817 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.783 -6.513 3.130 1.00 0.40 H new ATOM 0 HG13 ILE A 94 2.102 -6.597 1.409 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.239 -5.985 -0.219 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.419 -5.783 0.398 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.205 -4.512 0.676 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.051 -4.567 2.378 1.00 0.52 H new ATOM 0 HD12 ILE A 94 1.767 -4.162 1.215 1.00 0.52 H new ATOM 0 HD13 ILE A 94 1.443 -4.077 2.963 1.00 0.52 H new ATOM 1431 N SER A 95 -2.278 -7.594 3.509 1.00 0.27 N ATOM 1432 CA SER A 95 -3.545 -8.331 3.522 1.00 0.34 C ATOM 1433 C SER A 95 -4.633 -7.562 4.269 1.00 0.39 C ATOM 1434 O SER A 95 -5.819 -7.872 4.156 1.00 0.47 O ATOM 1435 CB SER A 95 -3.348 -9.705 4.166 1.00 0.40 C ATOM 1436 OG SER A 95 -4.564 -10.431 4.203 1.00 0.49 O ATOM 0 H SER A 95 -1.490 -8.110 3.900 1.00 0.27 H new ATOM 0 HA SER A 95 -3.867 -8.455 2.488 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.602 -10.269 3.606 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.963 -9.584 5.178 1.00 0.40 H new ATOM 0 HG SER A 95 -5.318 -9.809 4.135 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.216 -6.571 5.040 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.134 -5.749 5.819 1.00 0.46 C ATOM 1444 C LYS A 96 -5.707 -4.610 4.977 1.00 0.45 C ATOM 1445 O LYS A 96 -6.443 -3.764 5.480 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.413 -5.193 7.046 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.699 -6.264 7.850 1.00 0.57 C ATOM 1448 CD LYS A 96 -2.767 -5.664 8.889 1.00 0.80 C ATOM 1449 CE LYS A 96 -3.541 -5.071 10.055 1.00 1.32 C ATOM 1450 NZ LYS A 96 -4.196 -6.122 10.880 1.00 2.12 N ATOM 0 H LYS A 96 -3.235 -6.312 5.145 1.00 0.38 H new ATOM 0 HA LYS A 96 -5.966 -6.374 6.142 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -3.689 -4.443 6.727 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.135 -4.686 7.686 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -4.435 -6.898 8.345 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -3.129 -6.904 7.177 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -2.086 -6.432 9.256 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -2.154 -4.890 8.426 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -2.865 -4.488 10.680 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.297 -4.383 9.676 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -4.713 -5.676 11.664 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -4.861 -6.662 10.290 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -3.473 -6.764 11.263 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.337 -4.589 3.700 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.778 -3.549 2.768 1.00 0.40 C ATOM 1466 C PHE A 97 -7.290 -3.266 2.805 1.00 0.48 C ATOM 1467 O PHE A 97 -7.731 -2.272 2.229 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.333 -3.869 1.326 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.379 -5.327 0.924 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -6.197 -6.210 1.617 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.626 -5.818 -0.133 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -6.262 -7.546 1.264 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.692 -7.153 -0.490 1.00 0.50 C ATOM 1474 CZ PHE A 97 -5.418 -8.006 0.160 1.00 0.53 C ATOM 0 H PHE A 97 -4.725 -5.289 3.280 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.289 -2.636 3.109 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.963 -3.304 0.639 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.313 -3.508 1.194 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.791 -5.848 2.443 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.981 -5.150 -0.684 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.915 -8.229 1.787 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -4.119 -7.495 -1.339 1.00 0.50 H new ATOM 0 HZ PHE A 97 -5.401 -9.051 -0.111 1.00 0.53 H new ATOM 1484 N TRP A 98 -8.093 -4.110 3.462 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.538 -3.851 3.522 1.00 0.63 C ATOM 1486 C TRP A 98 -10.115 -4.001 4.930 1.00 0.69 C ATOM 1487 O TRP A 98 -11.333 -3.994 5.103 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.323 -4.736 2.540 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.984 -6.199 2.584 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -9.374 -6.913 1.595 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -10.261 -7.133 3.642 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -9.229 -8.224 1.977 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.768 -8.386 3.225 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -10.866 -7.037 4.900 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.862 -9.527 4.018 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -10.960 -8.172 5.684 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.460 -9.401 5.242 1.00 1.00 C ATOM 0 H TRP A 98 -7.782 -4.952 3.946 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.655 -2.809 3.226 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.388 -4.620 2.743 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -10.150 -4.370 1.528 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -9.052 -6.506 0.648 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -8.791 -8.958 1.421 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.253 -6.092 5.253 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -9.477 -10.477 3.679 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.428 -8.108 6.655 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.548 -10.268 5.880 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.253 -4.123 5.935 1.00 0.75 N ATOM 1509 CA LYS A 99 -9.721 -4.261 7.312 1.00 0.91 C ATOM 1510 C LYS A 99 -9.249 -3.092 8.170 1.00 1.11 C ATOM 1511 O LYS A 99 -9.773 -2.857 9.260 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.249 -5.590 7.913 1.00 0.90 C ATOM 1513 CG LYS A 99 -7.733 -5.725 8.037 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.181 -5.047 9.291 1.00 1.38 C ATOM 1515 CE LYS A 99 -7.873 -5.534 10.555 1.00 1.51 C ATOM 1516 NZ LYS A 99 -7.290 -4.920 11.779 1.00 1.67 N ATOM 0 H LYS A 99 -8.239 -4.129 5.826 1.00 0.75 H new ATOM 0 HA LYS A 99 -10.811 -4.254 7.298 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.694 -5.706 8.901 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.625 -6.407 7.297 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.467 -6.782 8.053 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.260 -5.291 7.156 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -6.111 -5.241 9.366 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -7.304 -3.968 9.203 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -8.936 -5.297 10.501 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -7.791 -6.619 10.619 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -7.197 -5.644 12.520 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -6.352 -4.529 11.558 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -7.913 -4.158 12.115 1.00 1.67 H new ATOM 1530 N SER A 100 -8.256 -2.366 7.673 1.00 1.14 N ATOM 1531 CA SER A 100 -7.705 -1.225 8.394 1.00 1.47 C ATOM 1532 C SER A 100 -8.488 0.049 8.089 1.00 1.74 C ATOM 1533 O SER A 100 -8.380 1.041 8.810 1.00 2.07 O ATOM 1534 CB SER A 100 -6.233 -1.029 8.028 1.00 1.57 C ATOM 1535 OG SER A 100 -5.472 -2.184 8.340 1.00 2.19 O ATOM 0 H SER A 100 -7.815 -2.547 6.772 1.00 1.14 H new ATOM 0 HA SER A 100 -7.787 -1.431 9.461 1.00 1.47 H new ATOM 0 HB2 SER A 100 -6.146 -0.808 6.964 1.00 1.57 H new ATOM 0 HB3 SER A 100 -5.833 -0.170 8.566 1.00 1.57 H new ATOM 0 HG SER A 100 -4.535 -2.034 8.095 1.00 2.19 H new ATOM 1541 N HIS A 101 -9.275 0.016 7.017 1.00 1.68 N ATOM 1542 CA HIS A 101 -10.064 1.176 6.615 1.00 2.03 C ATOM 1543 C HIS A 101 -11.526 0.807 6.377 1.00 2.09 C ATOM 1544 O HIS A 101 -12.321 1.644 5.948 1.00 2.46 O ATOM 1545 CB HIS A 101 -9.474 1.797 5.347 1.00 2.13 C ATOM 1546 CG HIS A 101 -8.071 2.290 5.522 1.00 2.57 C ATOM 1547 ND1 HIS A 101 -6.977 1.662 4.965 1.00 3.26 N ATOM 1548 CD2 HIS A 101 -7.584 3.358 6.199 1.00 3.02 C ATOM 1549 CE1 HIS A 101 -5.879 2.321 5.290 1.00 3.83 C ATOM 1550 NE2 HIS A 101 -6.220 3.354 6.038 1.00 3.65 N ATOM 0 H HIS A 101 -9.383 -0.799 6.413 1.00 1.68 H new ATOM 0 HA HIS A 101 -10.028 1.900 7.429 1.00 2.03 H new ATOM 0 HB2 HIS A 101 -9.494 1.058 4.546 1.00 2.13 H new ATOM 0 HB3 HIS A 101 -10.106 2.627 5.030 1.00 2.13 H new ATOM 0 HD2 HIS A 101 -8.161 4.078 6.760 1.00 3.02 H new ATOM 0 HE1 HIS A 101 -4.874 2.059 4.994 1.00 3.83 H new ATOM 0 HE2 HIS A 101 -5.575 4.038 6.433 1.00 3.65 H new ATOM 1559 N LYS A 102 -11.881 -0.445 6.655 1.00 1.89 N ATOM 1560 CA LYS A 102 -13.255 -0.902 6.465 1.00 2.04 C ATOM 1561 C LYS A 102 -13.667 -1.888 7.556 1.00 2.27 C ATOM 1562 O LYS A 102 -13.720 -3.096 7.329 1.00 2.71 O ATOM 1563 CB LYS A 102 -13.417 -1.546 5.085 1.00 2.00 C ATOM 1564 CG LYS A 102 -14.868 -1.768 4.676 1.00 2.32 C ATOM 1565 CD LYS A 102 -15.642 -0.459 4.591 1.00 2.80 C ATOM 1566 CE LYS A 102 -15.072 0.467 3.528 1.00 3.44 C ATOM 1567 NZ LYS A 102 -15.832 1.745 3.438 1.00 4.27 N ATOM 0 H LYS A 102 -11.242 -1.156 7.010 1.00 1.89 H new ATOM 0 HA LYS A 102 -13.908 -0.032 6.530 1.00 2.04 H new ATOM 0 HB2 LYS A 102 -12.932 -0.915 4.341 1.00 2.00 H new ATOM 0 HB3 LYS A 102 -12.897 -2.504 5.078 1.00 2.00 H new ATOM 0 HG2 LYS A 102 -14.900 -2.272 3.710 1.00 2.32 H new ATOM 0 HG3 LYS A 102 -15.351 -2.429 5.396 1.00 2.32 H new ATOM 0 HD2 LYS A 102 -16.688 -0.669 4.367 1.00 2.80 H new ATOM 0 HD3 LYS A 102 -15.618 0.041 5.559 1.00 2.80 H new ATOM 0 HE2 LYS A 102 -14.028 0.681 3.755 1.00 3.44 H new ATOM 0 HE3 LYS A 102 -15.091 -0.035 2.561 1.00 3.44 H new ATOM 0 HZ1 LYS A 102 -15.412 2.348 2.702 1.00 4.27 H new ATOM 0 HZ2 LYS A 102 -16.823 1.543 3.196 1.00 4.27 H new ATOM 0 HZ3 LYS A 102 -15.793 2.238 4.353 1.00 4.27 H new ATOM 1581 N THR A 103 -13.954 -1.355 8.740 1.00 2.56 N ATOM 1582 CA THR A 103 -14.368 -2.169 9.879 1.00 2.99 C ATOM 1583 C THR A 103 -15.224 -1.348 10.837 1.00 3.33 C ATOM 1584 O THR A 103 -16.399 -1.646 11.050 1.00 3.84 O ATOM 1585 CB THR A 103 -13.157 -2.736 10.643 1.00 3.28 C ATOM 1586 OG1 THR A 103 -12.153 -1.725 10.788 1.00 3.44 O ATOM 1587 CG2 THR A 103 -12.572 -3.942 9.925 1.00 3.09 C ATOM 0 H THR A 103 -13.907 -0.355 8.937 1.00 2.56 H new ATOM 0 HA THR A 103 -14.950 -3.002 9.485 1.00 2.99 H new ATOM 0 HB THR A 103 -13.497 -3.055 11.628 1.00 3.28 H new ATOM 0 HG1 THR A 103 -11.342 -1.998 10.310 1.00 3.44 H new ATOM 0 HG21 THR A 103 -11.719 -4.321 10.487 1.00 3.09 H new ATOM 0 HG22 THR A 103 -13.330 -4.721 9.846 1.00 3.09 H new ATOM 0 HG23 THR A 103 -12.248 -3.649 8.927 1.00 3.09 H new ATOM 1595 N LYS A 104 -14.622 -0.313 11.412 1.00 3.34 N ATOM 1596 CA LYS A 104 -15.322 0.570 12.337 1.00 3.66 C ATOM 1597 C LYS A 104 -14.939 2.022 12.069 1.00 3.59 C ATOM 1598 O LYS A 104 -15.174 2.905 12.893 1.00 3.95 O ATOM 1599 CB LYS A 104 -15.008 0.199 13.793 1.00 3.99 C ATOM 1600 CG LYS A 104 -13.572 0.475 14.214 1.00 4.36 C ATOM 1601 CD LYS A 104 -12.612 -0.556 13.644 1.00 4.62 C ATOM 1602 CE LYS A 104 -11.204 -0.366 14.186 1.00 5.31 C ATOM 1603 NZ LYS A 104 -11.147 -0.561 15.661 1.00 5.72 N ATOM 0 H LYS A 104 -13.646 -0.064 11.253 1.00 3.34 H new ATOM 0 HA LYS A 104 -16.394 0.450 12.179 1.00 3.66 H new ATOM 0 HB2 LYS A 104 -15.679 0.752 14.450 1.00 3.99 H new ATOM 0 HB3 LYS A 104 -15.220 -0.860 13.940 1.00 3.99 H new ATOM 0 HG2 LYS A 104 -13.279 1.470 13.879 1.00 4.36 H new ATOM 0 HG3 LYS A 104 -13.505 0.473 15.302 1.00 4.36 H new ATOM 0 HD2 LYS A 104 -12.965 -1.558 13.889 1.00 4.62 H new ATOM 0 HD3 LYS A 104 -12.598 -0.480 12.557 1.00 4.62 H new ATOM 0 HE2 LYS A 104 -10.530 -1.071 13.700 1.00 5.31 H new ATOM 0 HE3 LYS A 104 -10.851 0.635 13.938 1.00 5.31 H new ATOM 0 HZ1 LYS A 104 -10.160 -0.710 15.954 1.00 5.72 H new ATOM 0 HZ2 LYS A 104 -11.526 0.282 16.138 1.00 5.72 H new ATOM 0 HZ3 LYS A 104 -11.715 -1.392 15.924 1.00 5.72 H new ATOM 1617 N ILE A 105 -14.349 2.255 10.899 1.00 3.22 N ATOM 1618 CA ILE A 105 -13.922 3.589 10.498 1.00 3.25 C ATOM 1619 C ILE A 105 -15.017 4.299 9.706 1.00 3.33 C ATOM 1620 O ILE A 105 -15.348 5.452 9.984 1.00 3.64 O ATOM 1621 CB ILE A 105 -12.634 3.535 9.649 1.00 3.14 C ATOM 1622 CG1 ILE A 105 -11.492 2.887 10.439 1.00 3.41 C ATOM 1623 CG2 ILE A 105 -12.237 4.931 9.198 1.00 3.22 C ATOM 1624 CD1 ILE A 105 -11.557 1.374 10.478 1.00 3.54 C ATOM 0 H ILE A 105 -14.156 1.530 10.209 1.00 3.22 H new ATOM 0 HA ILE A 105 -13.719 4.148 11.412 1.00 3.25 H new ATOM 0 HB ILE A 105 -12.831 2.926 8.767 1.00 3.14 H new ATOM 0 HG12 ILE A 105 -10.541 3.189 10.000 1.00 3.41 H new ATOM 0 HG13 ILE A 105 -11.507 3.268 11.460 1.00 3.41 H new ATOM 0 HG21 ILE A 105 -11.327 4.875 8.601 1.00 3.22 H new ATOM 0 HG22 ILE A 105 -13.039 5.361 8.598 1.00 3.22 H new ATOM 0 HG23 ILE A 105 -12.060 5.559 10.071 1.00 3.22 H new ATOM 0 HD11 ILE A 105 -10.716 0.988 11.055 1.00 3.54 H new ATOM 0 HD12 ILE A 105 -12.491 1.062 10.945 1.00 3.54 H new ATOM 0 HD13 ILE A 105 -11.511 0.982 9.462 1.00 3.54 H new ATOM 1636 N ARG A 106 -15.572 3.600 8.717 1.00 3.23 N ATOM 1637 CA ARG A 106 -16.632 4.155 7.881 1.00 3.52 C ATOM 1638 C ARG A 106 -16.166 5.425 7.180 1.00 3.99 C ATOM 1639 O ARG A 106 -16.345 6.532 7.691 1.00 4.49 O ATOM 1640 CB ARG A 106 -17.880 4.452 8.716 1.00 3.66 C ATOM 1641 CG ARG A 106 -19.062 4.936 7.892 1.00 4.02 C ATOM 1642 CD ARG A 106 -20.258 5.264 8.771 1.00 4.54 C ATOM 1643 NE ARG A 106 -20.723 4.098 9.517 1.00 4.89 N ATOM 1644 CZ ARG A 106 -21.884 4.052 10.165 1.00 5.64 C ATOM 1645 NH1 ARG A 106 -22.691 5.105 10.163 1.00 6.13 N ATOM 1646 NH2 ARG A 106 -22.238 2.953 10.816 1.00 6.18 N ATOM 0 H ARG A 106 -15.303 2.646 8.476 1.00 3.23 H new ATOM 0 HA ARG A 106 -16.881 3.411 7.124 1.00 3.52 H new ATOM 0 HB2 ARG A 106 -18.169 3.550 9.256 1.00 3.66 H new ATOM 0 HB3 ARG A 106 -17.636 5.207 9.464 1.00 3.66 H new ATOM 0 HG2 ARG A 106 -18.773 5.821 7.324 1.00 4.02 H new ATOM 0 HG3 ARG A 106 -19.340 4.170 7.168 1.00 4.02 H new ATOM 0 HD2 ARG A 106 -19.989 6.057 9.468 1.00 4.54 H new ATOM 0 HD3 ARG A 106 -21.070 5.646 8.152 1.00 4.54 H new ATOM 0 HE ARG A 106 -20.124 3.273 9.543 1.00 4.89 H new ATOM 0 HH11 ARG A 106 -22.422 5.953 9.664 1.00 6.13 H new ATOM 0 HH12 ARG A 106 -23.581 5.067 10.661 1.00 6.13 H new ATOM 0 HH21 ARG A 106 -21.620 2.142 10.820 1.00 6.18 H new ATOM 0 HH22 ARG A 106 -23.128 2.919 11.313 1.00 6.18 H new ATOM 1660 N GLU A 107 -15.561 5.257 6.010 1.00 4.18 N ATOM 1661 CA GLU A 107 -15.071 6.392 5.236 1.00 5.05 C ATOM 1662 C GLU A 107 -14.666 5.959 3.830 1.00 5.51 C ATOM 1663 O GLU A 107 -14.248 4.820 3.618 1.00 5.80 O ATOM 1664 CB GLU A 107 -13.884 7.044 5.946 1.00 5.50 C ATOM 1665 CG GLU A 107 -13.542 8.425 5.415 1.00 6.10 C ATOM 1666 CD GLU A 107 -12.404 9.078 6.177 1.00 6.86 C ATOM 1667 OE1 GLU A 107 -12.672 9.695 7.230 1.00 7.22 O ATOM 1668 OE2 GLU A 107 -11.246 8.971 5.722 1.00 7.31 O ATOM 0 H GLU A 107 -15.398 4.348 5.577 1.00 4.18 H new ATOM 0 HA GLU A 107 -15.879 7.119 5.152 1.00 5.05 H new ATOM 0 HB2 GLU A 107 -14.104 7.118 7.011 1.00 5.50 H new ATOM 0 HB3 GLU A 107 -13.012 6.399 5.845 1.00 5.50 H new ATOM 0 HG2 GLU A 107 -13.272 8.349 4.362 1.00 6.10 H new ATOM 0 HG3 GLU A 107 -14.425 9.061 5.473 1.00 6.10 H new ATOM 1675 N SER A 108 -14.794 6.872 2.873 1.00 5.97 N ATOM 1676 CA SER A 108 -14.440 6.581 1.488 1.00 6.78 C ATOM 1677 C SER A 108 -13.080 7.178 1.135 1.00 7.58 C ATOM 1678 O SER A 108 -12.067 6.462 1.275 1.00 8.07 O ATOM 1679 CB SER A 108 -15.511 7.127 0.541 1.00 7.25 C ATOM 1680 OG SER A 108 -15.209 6.813 -0.808 1.00 7.76 O ATOM 0 H SER A 108 -15.140 7.819 3.030 1.00 5.97 H new ATOM 0 HA SER A 108 -14.381 5.499 1.374 1.00 6.78 H new ATOM 0 HB2 SER A 108 -16.482 6.709 0.806 1.00 7.25 H new ATOM 0 HB3 SER A 108 -15.587 8.208 0.658 1.00 7.25 H new ATOM 0 HG SER A 108 -15.910 7.172 -1.392 1.00 7.76 H new TER 1686 SER A 108