USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 555 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 25 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.17) USER MOD Set 1.2: A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 133:sc= 2.44 (180deg=1.23) USER MOD Set 2.2: A 13 THR OG1 : rot -100:sc= 1.03 USER MOD Single : A -1 SER OG : rot 45:sc= 1.18 USER MOD Single : A -2 GLY N :NH3+ 177:sc= 0 (180deg=-0.0131) USER MOD Single : A 11 GLN : amide:sc= -0.328 K(o=-0.33,f=0.21) USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= -0.0188 (180deg=-0.2) USER MOD Single : A 18 MET CE :methyl 133:sc= -0.478 (180deg=-0.933) USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= -0.0086 (180deg=-0.122) USER MOD Single : A 23 SER OG : rot -130:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -116:sc= -0.0824 (180deg=-1.01) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 46 LYS NZ :NH3+ -132:sc= 1.52 (180deg=-2.14!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 179:sc= 1.13 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0925 USER MOD Single : A 67 SER OG : rot 180:sc= -0.43 USER MOD Single : A 72 THR OG1 : rot 77:sc= 1.04 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 52:sc= 0.115 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 35:sc= -0.435 USER MOD Single : A 99 LYS NZ :NH3+ -147:sc= -0.186 (180deg=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 10.271 11.941 -5.399 1.00 7.54 N ATOM 2 CA GLY A -2 10.927 12.245 -6.696 1.00 6.84 C ATOM 3 C GLY A -2 11.753 11.079 -7.186 1.00 5.98 C ATOM 4 O GLY A -2 12.912 11.240 -7.573 1.00 5.92 O ATOM 0 H1 GLY A -2 9.754 12.780 -5.067 1.00 7.54 H new ATOM 0 H2 GLY A -2 9.606 11.151 -5.523 1.00 7.54 H new ATOM 0 H3 GLY A -2 10.993 11.679 -4.698 1.00 7.54 H new ATOM 0 HA2 GLY A -2 10.169 12.493 -7.439 1.00 6.84 H new ATOM 0 HA3 GLY A -2 11.564 13.123 -6.586 1.00 6.84 H new ATOM 10 N SER A -1 11.163 9.899 -7.127 1.00 5.63 N ATOM 11 CA SER A -1 11.835 8.674 -7.508 1.00 5.13 C ATOM 12 C SER A -1 10.806 7.590 -7.799 1.00 4.14 C ATOM 13 O SER A -1 9.767 7.527 -7.148 1.00 4.20 O ATOM 14 CB SER A -1 12.782 8.229 -6.388 1.00 5.89 C ATOM 15 OG SER A -1 12.200 8.437 -5.106 1.00 6.58 O ATOM 0 H SER A -1 10.202 9.765 -6.813 1.00 5.63 H new ATOM 0 HA SER A -1 12.421 8.850 -8.410 1.00 5.13 H new ATOM 0 HB2 SER A -1 13.025 7.174 -6.512 1.00 5.89 H new ATOM 0 HB3 SER A -1 13.718 8.783 -6.459 1.00 5.89 H new ATOM 0 HG SER A -1 11.270 8.128 -5.115 1.00 6.58 H new ATOM 19 N VAL A 1 11.045 6.804 -8.834 1.00 3.59 N ATOM 20 CA VAL A 1 10.102 5.769 -9.226 1.00 2.90 C ATOM 21 C VAL A 1 10.705 4.391 -8.970 1.00 2.46 C ATOM 22 O VAL A 1 10.567 3.467 -9.777 1.00 2.65 O ATOM 23 CB VAL A 1 9.694 5.895 -10.713 1.00 2.83 C ATOM 24 CG1 VAL A 1 8.419 5.111 -10.991 1.00 2.99 C ATOM 25 CG2 VAL A 1 9.517 7.354 -11.110 1.00 3.50 C ATOM 0 H VAL A 1 11.880 6.861 -9.417 1.00 3.59 H new ATOM 0 HA VAL A 1 9.203 5.896 -8.622 1.00 2.90 H new ATOM 0 HB VAL A 1 10.498 5.473 -11.316 1.00 2.83 H new ATOM 0 HG11 VAL A 1 8.151 5.214 -12.042 1.00 2.99 H new ATOM 0 HG12 VAL A 1 8.581 4.058 -10.759 1.00 2.99 H new ATOM 0 HG13 VAL A 1 7.611 5.499 -10.371 1.00 2.99 H new ATOM 0 HG21 VAL A 1 9.230 7.413 -12.160 1.00 3.50 H new ATOM 0 HG22 VAL A 1 8.739 7.806 -10.495 1.00 3.50 H new ATOM 0 HG23 VAL A 1 10.455 7.888 -10.959 1.00 3.50 H new ATOM 35 N ASP A 2 11.385 4.257 -7.844 1.00 2.28 N ATOM 36 CA ASP A 2 11.997 2.988 -7.482 1.00 1.96 C ATOM 37 C ASP A 2 10.981 2.090 -6.801 1.00 1.39 C ATOM 38 O ASP A 2 10.924 0.883 -7.069 1.00 2.12 O ATOM 39 CB ASP A 2 13.190 3.190 -6.553 1.00 2.27 C ATOM 40 CG ASP A 2 13.896 1.883 -6.254 1.00 2.32 C ATOM 41 OD1 ASP A 2 14.537 1.325 -7.173 1.00 2.52 O ATOM 42 OD2 ASP A 2 13.792 1.388 -5.115 1.00 2.66 O ATOM 0 H ASP A 2 11.527 5.007 -7.167 1.00 2.28 H new ATOM 0 HA ASP A 2 12.347 2.519 -8.401 1.00 1.96 H new ATOM 0 HB2 ASP A 2 13.893 3.887 -7.010 1.00 2.27 H new ATOM 0 HB3 ASP A 2 12.853 3.643 -5.621 1.00 2.27 H new ATOM 45 N PHE A 3 10.220 2.691 -5.888 1.00 0.94 N ATOM 46 CA PHE A 3 9.212 2.000 -5.087 1.00 0.64 C ATOM 47 C PHE A 3 9.843 1.107 -4.021 1.00 0.52 C ATOM 48 O PHE A 3 9.430 1.144 -2.871 1.00 0.46 O ATOM 49 CB PHE A 3 8.259 1.172 -5.954 1.00 1.16 C ATOM 50 CG PHE A 3 7.217 0.452 -5.146 1.00 0.79 C ATOM 51 CD1 PHE A 3 6.287 1.161 -4.406 1.00 0.87 C ATOM 52 CD2 PHE A 3 7.176 -0.932 -5.116 1.00 0.86 C ATOM 53 CE1 PHE A 3 5.336 0.505 -3.653 1.00 1.16 C ATOM 54 CE2 PHE A 3 6.227 -1.592 -4.363 1.00 0.71 C ATOM 55 CZ PHE A 3 5.305 -0.872 -3.630 1.00 0.99 C ATOM 0 H PHE A 3 10.288 3.687 -5.681 1.00 0.94 H new ATOM 0 HA PHE A 3 8.637 2.781 -4.589 1.00 0.64 H new ATOM 0 HB2 PHE A 3 7.767 1.827 -6.673 1.00 1.16 H new ATOM 0 HB3 PHE A 3 8.835 0.445 -6.527 1.00 1.16 H new ATOM 0 HD1 PHE A 3 6.306 2.241 -4.418 1.00 0.87 H new ATOM 0 HD2 PHE A 3 7.894 -1.500 -5.688 1.00 0.86 H new ATOM 0 HE1 PHE A 3 4.615 1.071 -3.081 1.00 1.16 H new ATOM 0 HE2 PHE A 3 6.205 -2.672 -4.347 1.00 0.71 H new ATOM 0 HZ PHE A 3 4.561 -1.387 -3.040 1.00 0.99 H new ATOM 63 N ALA A 4 10.779 0.255 -4.415 1.00 0.56 N ATOM 64 CA ALA A 4 11.366 -0.717 -3.497 1.00 0.55 C ATOM 65 C ALA A 4 12.062 -0.037 -2.318 1.00 0.57 C ATOM 66 O ALA A 4 11.790 -0.355 -1.156 1.00 0.54 O ATOM 67 CB ALA A 4 12.339 -1.617 -4.241 1.00 0.64 C ATOM 0 H ALA A 4 11.150 0.215 -5.364 1.00 0.56 H new ATOM 0 HA ALA A 4 10.556 -1.323 -3.092 1.00 0.55 H new ATOM 0 HB1 ALA A 4 12.771 -2.338 -3.547 1.00 0.64 H new ATOM 0 HB2 ALA A 4 11.811 -2.147 -5.033 1.00 0.64 H new ATOM 0 HB3 ALA A 4 13.134 -1.012 -4.677 1.00 0.64 H new ATOM 73 N PHE A 5 12.921 0.927 -2.621 1.00 0.62 N ATOM 74 CA PHE A 5 13.637 1.669 -1.592 1.00 0.66 C ATOM 75 C PHE A 5 12.662 2.478 -0.747 1.00 0.59 C ATOM 76 O PHE A 5 12.719 2.459 0.481 1.00 0.57 O ATOM 77 CB PHE A 5 14.671 2.598 -2.239 1.00 0.79 C ATOM 78 CG PHE A 5 15.470 3.407 -1.256 1.00 0.85 C ATOM 79 CD1 PHE A 5 16.146 2.791 -0.214 1.00 1.04 C ATOM 80 CD2 PHE A 5 15.545 4.786 -1.376 1.00 1.20 C ATOM 81 CE1 PHE A 5 16.877 3.536 0.691 1.00 1.46 C ATOM 82 CE2 PHE A 5 16.275 5.536 -0.474 1.00 1.56 C ATOM 83 CZ PHE A 5 16.945 4.909 0.559 1.00 1.65 C ATOM 0 H PHE A 5 13.139 1.214 -3.575 1.00 0.62 H new ATOM 0 HA PHE A 5 14.153 0.960 -0.945 1.00 0.66 H new ATOM 0 HB2 PHE A 5 15.355 2.000 -2.841 1.00 0.79 H new ATOM 0 HB3 PHE A 5 14.158 3.277 -2.920 1.00 0.79 H new ATOM 0 HD1 PHE A 5 16.101 1.717 -0.109 1.00 1.04 H new ATOM 0 HD2 PHE A 5 15.027 5.280 -2.184 1.00 1.20 H new ATOM 0 HE1 PHE A 5 17.395 3.045 1.501 1.00 1.46 H new ATOM 0 HE2 PHE A 5 16.322 6.610 -0.576 1.00 1.56 H new ATOM 0 HZ PHE A 5 17.521 5.492 1.262 1.00 1.65 H new ATOM 91 N GLU A 6 11.760 3.169 -1.425 1.00 0.57 N ATOM 92 CA GLU A 6 10.767 4.010 -0.771 1.00 0.53 C ATOM 93 C GLU A 6 9.838 3.188 0.128 1.00 0.49 C ATOM 94 O GLU A 6 9.516 3.600 1.242 1.00 0.49 O ATOM 95 CB GLU A 6 9.980 4.768 -1.839 1.00 0.57 C ATOM 96 CG GLU A 6 10.857 5.732 -2.626 1.00 0.70 C ATOM 97 CD GLU A 6 10.288 6.110 -3.975 1.00 1.42 C ATOM 98 OE1 GLU A 6 10.187 5.221 -4.846 1.00 2.09 O ATOM 99 OE2 GLU A 6 9.979 7.305 -4.177 1.00 1.97 O ATOM 0 H GLU A 6 11.694 3.164 -2.443 1.00 0.57 H new ATOM 0 HA GLU A 6 11.275 4.724 -0.123 1.00 0.53 H new ATOM 0 HB2 GLU A 6 9.522 4.055 -2.524 1.00 0.57 H new ATOM 0 HB3 GLU A 6 9.169 5.322 -1.366 1.00 0.57 H new ATOM 0 HG2 GLU A 6 11.005 6.637 -2.037 1.00 0.70 H new ATOM 0 HG3 GLU A 6 11.839 5.281 -2.769 1.00 0.70 H new ATOM 102 N LEU A 7 9.457 2.007 -0.340 1.00 0.49 N ATOM 103 CA LEU A 7 8.601 1.103 0.424 1.00 0.51 C ATOM 104 C LEU A 7 9.313 0.625 1.687 1.00 0.53 C ATOM 105 O LEU A 7 8.751 0.660 2.783 1.00 0.56 O ATOM 106 CB LEU A 7 8.212 -0.100 -0.440 1.00 0.56 C ATOM 107 CG LEU A 7 7.263 -1.104 0.212 1.00 0.79 C ATOM 108 CD1 LEU A 7 5.890 -0.486 0.419 1.00 1.43 C ATOM 109 CD2 LEU A 7 7.163 -2.363 -0.634 1.00 1.45 C ATOM 0 H LEU A 7 9.730 1.648 -1.255 1.00 0.49 H new ATOM 0 HA LEU A 7 7.701 1.644 0.717 1.00 0.51 H new ATOM 0 HB2 LEU A 7 7.749 0.268 -1.356 1.00 0.56 H new ATOM 0 HB3 LEU A 7 9.122 -0.624 -0.731 1.00 0.56 H new ATOM 0 HG LEU A 7 7.664 -1.376 1.188 1.00 0.79 H new ATOM 0 HD11 LEU A 7 5.229 -1.217 0.884 1.00 1.43 H new ATOM 0 HD12 LEU A 7 5.978 0.387 1.065 1.00 1.43 H new ATOM 0 HD13 LEU A 7 5.478 -0.185 -0.544 1.00 1.43 H new ATOM 0 HD21 LEU A 7 6.483 -3.069 -0.157 1.00 1.45 H new ATOM 0 HD22 LEU A 7 6.784 -2.107 -1.624 1.00 1.45 H new ATOM 0 HD23 LEU A 7 8.149 -2.817 -0.729 1.00 1.45 H new ATOM 119 N ARG A 8 10.560 0.201 1.530 1.00 0.56 N ATOM 120 CA ARG A 8 11.349 -0.277 2.658 1.00 0.62 C ATOM 121 C ARG A 8 11.658 0.858 3.629 1.00 0.60 C ATOM 122 O ARG A 8 11.587 0.674 4.844 1.00 0.63 O ATOM 123 CB ARG A 8 12.626 -0.956 2.166 1.00 0.70 C ATOM 124 CG ARG A 8 12.357 -2.321 1.552 1.00 1.30 C ATOM 125 CD ARG A 8 13.608 -2.942 0.953 1.00 1.61 C ATOM 126 NE ARG A 8 13.334 -4.274 0.409 1.00 1.92 N ATOM 127 CZ ARG A 8 14.194 -4.982 -0.323 1.00 2.84 C ATOM 128 NH1 ARG A 8 15.390 -4.495 -0.612 1.00 3.51 N ATOM 129 NH2 ARG A 8 13.849 -6.189 -0.761 1.00 3.56 N ATOM 0 H ARG A 8 11.047 0.178 0.634 1.00 0.56 H new ATOM 0 HA ARG A 8 10.762 -1.018 3.201 1.00 0.62 H new ATOM 0 HB2 ARG A 8 13.112 -0.318 1.428 1.00 0.70 H new ATOM 0 HB3 ARG A 8 13.320 -1.066 2.999 1.00 0.70 H new ATOM 0 HG2 ARG A 8 11.953 -2.987 2.315 1.00 1.30 H new ATOM 0 HG3 ARG A 8 11.596 -2.225 0.778 1.00 1.30 H new ATOM 0 HD2 ARG A 8 13.994 -2.297 0.164 1.00 1.61 H new ATOM 0 HD3 ARG A 8 14.383 -3.011 1.716 1.00 1.61 H new ATOM 0 HE ARG A 8 12.422 -4.688 0.604 1.00 1.92 H new ATOM 0 HH11 ARG A 8 15.660 -3.571 -0.274 1.00 3.51 H new ATOM 0 HH12 ARG A 8 16.042 -5.043 -1.173 1.00 3.51 H new ATOM 0 HH21 ARG A 8 12.930 -6.569 -0.537 1.00 3.56 H new ATOM 0 HH22 ARG A 8 14.504 -6.735 -1.321 1.00 3.56 H new ATOM 137 N LYS A 9 11.889 2.052 3.089 1.00 0.56 N ATOM 138 CA LYS A 9 12.083 3.245 3.912 1.00 0.56 C ATOM 139 C LYS A 9 10.837 3.539 4.740 1.00 0.50 C ATOM 140 O LYS A 9 10.928 3.830 5.935 1.00 0.50 O ATOM 141 CB LYS A 9 12.419 4.456 3.035 1.00 0.60 C ATOM 142 CG LYS A 9 13.892 4.570 2.671 1.00 1.06 C ATOM 143 CD LYS A 9 14.670 5.376 3.705 1.00 1.67 C ATOM 144 CE LYS A 9 14.709 4.688 5.061 1.00 2.14 C ATOM 145 NZ LYS A 9 15.298 5.557 6.112 1.00 2.75 N ATOM 0 H LYS A 9 11.947 2.220 2.085 1.00 0.56 H new ATOM 0 HA LYS A 9 12.917 3.054 4.588 1.00 0.56 H new ATOM 0 HB2 LYS A 9 11.832 4.401 2.118 1.00 0.60 H new ATOM 0 HB3 LYS A 9 12.113 5.364 3.555 1.00 0.60 H new ATOM 0 HG2 LYS A 9 14.324 3.573 2.587 1.00 1.06 H new ATOM 0 HG3 LYS A 9 13.989 5.042 1.694 1.00 1.06 H new ATOM 0 HD2 LYS A 9 15.689 5.532 3.350 1.00 1.67 H new ATOM 0 HD3 LYS A 9 14.215 6.361 3.812 1.00 1.67 H new ATOM 0 HE2 LYS A 9 13.698 4.403 5.352 1.00 2.14 H new ATOM 0 HE3 LYS A 9 15.290 3.769 4.984 1.00 2.14 H new ATOM 0 HZ1 LYS A 9 14.695 5.534 6.959 1.00 2.75 H new ATOM 0 HZ2 LYS A 9 16.249 5.213 6.354 1.00 2.75 H new ATOM 0 HZ3 LYS A 9 15.363 6.533 5.759 1.00 2.75 H new ATOM 151 N ALA A 10 9.680 3.439 4.096 1.00 0.47 N ATOM 152 CA ALA A 10 8.405 3.676 4.757 1.00 0.44 C ATOM 153 C ALA A 10 8.175 2.670 5.877 1.00 0.45 C ATOM 154 O ALA A 10 7.674 3.021 6.940 1.00 0.47 O ATOM 155 CB ALA A 10 7.269 3.609 3.748 1.00 0.44 C ATOM 0 H ALA A 10 9.600 3.193 3.109 1.00 0.47 H new ATOM 0 HA ALA A 10 8.430 4.673 5.196 1.00 0.44 H new ATOM 0 HB1 ALA A 10 6.321 3.788 4.255 1.00 0.44 H new ATOM 0 HB2 ALA A 10 7.419 4.368 2.980 1.00 0.44 H new ATOM 0 HB3 ALA A 10 7.252 2.623 3.284 1.00 0.44 H new ATOM 161 N GLN A 11 8.495 1.414 5.610 1.00 0.47 N ATOM 162 CA GLN A 11 8.277 0.344 6.575 1.00 0.53 C ATOM 163 C GLN A 11 9.249 0.438 7.748 1.00 0.58 C ATOM 164 O GLN A 11 8.865 0.233 8.902 1.00 0.63 O ATOM 165 CB GLN A 11 8.429 -1.017 5.889 1.00 0.59 C ATOM 166 CG GLN A 11 8.195 -2.198 6.817 1.00 1.07 C ATOM 167 CD GLN A 11 8.459 -3.526 6.141 1.00 1.69 C ATOM 168 OE1 GLN A 11 9.563 -3.786 5.661 1.00 2.18 O ATOM 169 NE2 GLN A 11 7.448 -4.379 6.108 1.00 2.44 N ATOM 0 H GLN A 11 8.909 1.108 4.729 1.00 0.47 H new ATOM 0 HA GLN A 11 7.265 0.450 6.965 1.00 0.53 H new ATOM 0 HB2 GLN A 11 7.727 -1.075 5.057 1.00 0.59 H new ATOM 0 HB3 GLN A 11 9.431 -1.091 5.466 1.00 0.59 H new ATOM 0 HG2 GLN A 11 8.841 -2.104 7.690 1.00 1.07 H new ATOM 0 HG3 GLN A 11 7.166 -2.175 7.177 1.00 1.07 H new ATOM 0 HE21 GLN A 11 6.550 -4.122 6.518 1.00 2.44 H new ATOM 0 HE22 GLN A 11 7.566 -5.294 5.672 1.00 2.44 H new ATOM 174 N ASP A 12 10.525 0.616 7.437 1.00 0.61 N ATOM 175 CA ASP A 12 11.570 0.564 8.451 1.00 0.73 C ATOM 176 C ASP A 12 11.580 1.811 9.329 1.00 0.68 C ATOM 177 O ASP A 12 11.617 1.714 10.555 1.00 0.73 O ATOM 178 CB ASP A 12 12.934 0.390 7.784 1.00 0.92 C ATOM 179 CG ASP A 12 14.046 0.192 8.789 1.00 0.95 C ATOM 180 OD1 ASP A 12 13.990 -0.793 9.555 1.00 1.32 O ATOM 181 OD2 ASP A 12 14.985 1.014 8.813 1.00 1.43 O ATOM 0 H ASP A 12 10.862 0.798 6.492 1.00 0.61 H new ATOM 0 HA ASP A 12 11.360 -0.290 9.094 1.00 0.73 H new ATOM 0 HB2 ASP A 12 12.900 -0.467 7.111 1.00 0.92 H new ATOM 0 HB3 ASP A 12 13.151 1.267 7.174 1.00 0.92 H new ATOM 184 N THR A 13 11.573 2.978 8.704 1.00 0.64 N ATOM 185 CA THR A 13 11.624 4.231 9.441 1.00 0.68 C ATOM 186 C THR A 13 10.233 4.662 9.911 1.00 0.58 C ATOM 187 O THR A 13 10.038 5.002 11.079 1.00 0.95 O ATOM 188 CB THR A 13 12.271 5.340 8.587 1.00 0.96 C ATOM 189 OG1 THR A 13 13.570 4.910 8.153 1.00 1.96 O ATOM 190 CG2 THR A 13 12.404 6.637 9.372 1.00 1.02 C ATOM 0 H THR A 13 11.533 3.084 7.690 1.00 0.64 H new ATOM 0 HA THR A 13 12.240 4.067 10.325 1.00 0.68 H new ATOM 0 HB THR A 13 11.629 5.527 7.726 1.00 0.96 H new ATOM 0 HG1 THR A 13 14.256 5.314 8.725 1.00 1.96 H new ATOM 0 HG21 THR A 13 12.864 7.398 8.742 1.00 1.02 H new ATOM 0 HG22 THR A 13 11.417 6.974 9.687 1.00 1.02 H new ATOM 0 HG23 THR A 13 13.027 6.468 10.250 1.00 1.02 H new ATOM 198 N GLY A 14 9.261 4.583 9.016 1.00 0.59 N ATOM 199 CA GLY A 14 7.898 4.917 9.373 1.00 0.55 C ATOM 200 C GLY A 14 7.127 3.717 9.881 1.00 0.50 C ATOM 201 O GLY A 14 7.554 3.039 10.820 1.00 0.64 O ATOM 0 H GLY A 14 9.392 4.293 8.047 1.00 0.59 H new ATOM 0 HA2 GLY A 14 7.905 5.693 10.139 1.00 0.55 H new ATOM 0 HA3 GLY A 14 7.388 5.332 8.504 1.00 0.55 H new ATOM 205 N LYS A 15 6.030 3.406 9.205 1.00 0.47 N ATOM 206 CA LYS A 15 5.231 2.238 9.536 1.00 0.55 C ATOM 207 C LYS A 15 4.290 1.889 8.390 1.00 0.41 C ATOM 208 O LYS A 15 3.608 2.760 7.844 1.00 0.42 O ATOM 209 CB LYS A 15 4.423 2.477 10.812 1.00 0.85 C ATOM 210 CG LYS A 15 3.585 1.277 11.232 1.00 1.63 C ATOM 211 CD LYS A 15 2.950 1.487 12.593 1.00 2.21 C ATOM 212 CE LYS A 15 4.003 1.637 13.681 1.00 2.74 C ATOM 213 NZ LYS A 15 4.839 0.414 13.826 1.00 3.52 N ATOM 0 H LYS A 15 5.673 3.951 8.420 1.00 0.47 H new ATOM 0 HA LYS A 15 5.912 1.403 9.702 1.00 0.55 H new ATOM 0 HB2 LYS A 15 5.105 2.735 11.622 1.00 0.85 H new ATOM 0 HB3 LYS A 15 3.767 3.334 10.662 1.00 0.85 H new ATOM 0 HG2 LYS A 15 2.806 1.099 10.490 1.00 1.63 H new ATOM 0 HG3 LYS A 15 4.212 0.386 11.256 1.00 1.63 H new ATOM 0 HD2 LYS A 15 2.321 2.377 12.569 1.00 2.21 H new ATOM 0 HD3 LYS A 15 2.301 0.643 12.827 1.00 2.21 H new ATOM 0 HE2 LYS A 15 4.644 2.488 13.449 1.00 2.74 H new ATOM 0 HE3 LYS A 15 3.514 1.855 14.630 1.00 2.74 H new ATOM 0 HZ1 LYS A 15 5.400 0.478 14.700 1.00 3.52 H new ATOM 0 HZ2 LYS A 15 4.224 -0.424 13.870 1.00 3.52 H new ATOM 0 HZ3 LYS A 15 5.478 0.332 13.010 1.00 3.52 H new ATOM 219 N ILE A 16 4.220 0.606 8.072 1.00 0.40 N ATOM 220 CA ILE A 16 3.320 0.113 7.043 1.00 0.37 C ATOM 221 C ILE A 16 2.459 -1.017 7.597 1.00 0.38 C ATOM 222 O ILE A 16 2.975 -2.051 8.019 1.00 0.48 O ATOM 223 CB ILE A 16 4.098 -0.406 5.813 1.00 0.51 C ATOM 224 CG1 ILE A 16 4.854 0.736 5.132 1.00 0.59 C ATOM 225 CG2 ILE A 16 3.157 -1.087 4.829 1.00 0.63 C ATOM 226 CD1 ILE A 16 5.643 0.299 3.918 1.00 0.99 C ATOM 0 H ILE A 16 4.782 -0.119 8.518 1.00 0.40 H new ATOM 0 HA ILE A 16 2.690 0.946 6.732 1.00 0.37 H new ATOM 0 HB ILE A 16 4.825 -1.142 6.156 1.00 0.51 H new ATOM 0 HG12 ILE A 16 4.142 1.506 4.835 1.00 0.59 H new ATOM 0 HG13 ILE A 16 5.534 1.191 5.852 1.00 0.59 H new ATOM 0 HG21 ILE A 16 3.725 -1.445 3.970 1.00 0.63 H new ATOM 0 HG22 ILE A 16 2.668 -1.930 5.317 1.00 0.63 H new ATOM 0 HG23 ILE A 16 2.403 -0.374 4.494 1.00 0.63 H new ATOM 0 HD11 ILE A 16 6.153 1.160 3.486 1.00 0.99 H new ATOM 0 HD12 ILE A 16 6.379 -0.449 4.212 1.00 0.99 H new ATOM 0 HD13 ILE A 16 4.966 -0.130 3.179 1.00 0.99 H new ATOM 236 N VAL A 17 1.151 -0.830 7.568 1.00 0.36 N ATOM 237 CA VAL A 17 0.232 -1.858 8.025 1.00 0.37 C ATOM 238 C VAL A 17 -0.075 -2.828 6.891 1.00 0.37 C ATOM 239 O VAL A 17 -0.791 -2.486 5.949 1.00 0.59 O ATOM 240 CB VAL A 17 -1.084 -1.250 8.554 1.00 0.51 C ATOM 241 CG1 VAL A 17 -2.028 -2.338 9.046 1.00 0.83 C ATOM 242 CG2 VAL A 17 -0.801 -0.246 9.659 1.00 1.04 C ATOM 0 H VAL A 17 0.702 0.023 7.233 1.00 0.36 H new ATOM 0 HA VAL A 17 0.715 -2.390 8.845 1.00 0.37 H new ATOM 0 HB VAL A 17 -1.572 -0.728 7.730 1.00 0.51 H new ATOM 0 HG11 VAL A 17 -2.948 -1.883 9.414 1.00 0.83 H new ATOM 0 HG12 VAL A 17 -2.261 -3.016 8.225 1.00 0.83 H new ATOM 0 HG13 VAL A 17 -1.552 -2.896 9.852 1.00 0.83 H new ATOM 0 HG21 VAL A 17 -1.741 0.172 10.020 1.00 1.04 H new ATOM 0 HG22 VAL A 17 -0.287 -0.745 10.481 1.00 1.04 H new ATOM 0 HG23 VAL A 17 -0.173 0.555 9.270 1.00 1.04 H new ATOM 252 N MET A 18 0.484 -4.025 6.973 1.00 0.32 N ATOM 253 CA MET A 18 0.255 -5.044 5.959 1.00 0.42 C ATOM 254 C MET A 18 -1.039 -5.798 6.247 1.00 0.63 C ATOM 255 O MET A 18 -1.284 -6.210 7.383 1.00 0.87 O ATOM 256 CB MET A 18 1.436 -6.021 5.882 1.00 0.74 C ATOM 257 CG MET A 18 1.736 -6.742 7.188 1.00 1.20 C ATOM 258 SD MET A 18 3.068 -7.948 7.024 1.00 1.77 S ATOM 259 CE MET A 18 4.424 -6.892 6.508 1.00 2.03 C ATOM 0 H MET A 18 1.100 -4.316 7.732 1.00 0.32 H new ATOM 0 HA MET A 18 0.164 -4.546 4.994 1.00 0.42 H new ATOM 0 HB2 MET A 18 1.230 -6.762 5.110 1.00 0.74 H new ATOM 0 HB3 MET A 18 2.326 -5.474 5.569 1.00 0.74 H new ATOM 0 HG2 MET A 18 2.005 -6.010 7.949 1.00 1.20 H new ATOM 0 HG3 MET A 18 0.835 -7.247 7.536 1.00 1.20 H new ATOM 0 HE1 MET A 18 5.311 -7.125 7.097 1.00 2.03 H new ATOM 0 HE2 MET A 18 4.635 -7.060 5.452 1.00 2.03 H new ATOM 0 HE3 MET A 18 4.151 -5.848 6.661 1.00 2.03 H new ATOM 265 N GLY A 19 -1.884 -5.920 5.238 1.00 0.70 N ATOM 266 CA GLY A 19 -3.159 -6.589 5.408 1.00 1.09 C ATOM 267 C GLY A 19 -4.236 -5.964 4.553 1.00 0.88 C ATOM 268 O GLY A 19 -4.415 -4.749 4.572 1.00 1.71 O ATOM 0 H GLY A 19 -1.710 -5.566 4.297 1.00 0.70 H new ATOM 0 HA2 GLY A 19 -3.055 -7.643 5.149 1.00 1.09 H new ATOM 0 HA3 GLY A 19 -3.456 -6.546 6.456 1.00 1.09 H new ATOM 272 N ALA A 20 -4.940 -6.787 3.790 1.00 0.76 N ATOM 273 CA ALA A 20 -5.986 -6.299 2.901 1.00 0.53 C ATOM 274 C ALA A 20 -7.151 -5.713 3.690 1.00 0.48 C ATOM 275 O ALA A 20 -7.485 -4.539 3.538 1.00 0.49 O ATOM 276 CB ALA A 20 -6.469 -7.417 1.991 1.00 0.67 C ATOM 0 H ALA A 20 -4.806 -7.798 3.768 1.00 0.76 H new ATOM 0 HA ALA A 20 -5.564 -5.503 2.287 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -7.250 -7.038 1.332 1.00 0.67 H new ATOM 0 HB2 ALA A 20 -5.636 -7.784 1.392 1.00 0.67 H new ATOM 0 HB3 ALA A 20 -6.868 -8.232 2.596 1.00 0.67 H new ATOM 282 N ARG A 21 -7.727 -6.521 4.574 1.00 0.50 N ATOM 283 CA ARG A 21 -8.838 -6.078 5.414 1.00 0.54 C ATOM 284 C ARG A 21 -8.376 -5.002 6.393 1.00 0.49 C ATOM 285 O ARG A 21 -9.108 -4.052 6.682 1.00 0.54 O ATOM 286 CB ARG A 21 -9.446 -7.264 6.170 1.00 0.66 C ATOM 287 CG ARG A 21 -10.649 -6.895 7.021 1.00 1.48 C ATOM 288 CD ARG A 21 -11.334 -8.135 7.574 1.00 1.94 C ATOM 289 NE ARG A 21 -11.894 -8.978 6.514 1.00 2.79 N ATOM 290 CZ ARG A 21 -12.952 -8.653 5.766 1.00 3.74 C ATOM 291 NH1 ARG A 21 -13.651 -7.554 6.025 1.00 4.12 N ATOM 292 NH2 ARG A 21 -13.334 -9.454 4.783 1.00 4.68 N ATOM 0 H ARG A 21 -7.443 -7.488 4.729 1.00 0.50 H new ATOM 0 HA ARG A 21 -9.605 -5.649 4.769 1.00 0.54 H new ATOM 0 HB2 ARG A 21 -9.741 -8.028 5.451 1.00 0.66 H new ATOM 0 HB3 ARG A 21 -8.682 -7.706 6.809 1.00 0.66 H new ATOM 0 HG2 ARG A 21 -10.333 -6.254 7.844 1.00 1.48 H new ATOM 0 HG3 ARG A 21 -11.358 -6.321 6.424 1.00 1.48 H new ATOM 0 HD2 ARG A 21 -10.618 -8.715 8.156 1.00 1.94 H new ATOM 0 HD3 ARG A 21 -12.130 -7.835 8.256 1.00 1.94 H new ATOM 0 HE ARG A 21 -11.444 -9.876 6.335 1.00 2.79 H new ATOM 0 HH11 ARG A 21 -13.382 -6.949 6.801 1.00 4.12 H new ATOM 0 HH12 ARG A 21 -14.457 -7.315 5.448 1.00 4.12 H new ATOM 0 HH21 ARG A 21 -12.821 -10.316 4.599 1.00 4.68 H new ATOM 0 HH22 ARG A 21 -14.141 -9.209 4.210 1.00 4.68 H new ATOM 300 N LYS A 22 -7.145 -5.141 6.866 1.00 0.46 N ATOM 301 CA LYS A 22 -6.557 -4.168 7.777 1.00 0.49 C ATOM 302 C LYS A 22 -6.426 -2.805 7.099 1.00 0.47 C ATOM 303 O LYS A 22 -6.707 -1.769 7.706 1.00 0.49 O ATOM 304 CB LYS A 22 -5.188 -4.659 8.258 1.00 0.50 C ATOM 305 CG LYS A 22 -5.247 -6.002 8.975 1.00 0.80 C ATOM 306 CD LYS A 22 -3.863 -6.502 9.361 1.00 1.14 C ATOM 307 CE LYS A 22 -3.220 -5.628 10.428 1.00 1.61 C ATOM 308 NZ LYS A 22 -3.929 -5.716 11.734 1.00 1.91 N ATOM 0 H LYS A 22 -6.532 -5.922 6.633 1.00 0.46 H new ATOM 0 HA LYS A 22 -7.215 -4.058 8.639 1.00 0.49 H new ATOM 0 HB2 LYS A 22 -4.518 -4.741 7.402 1.00 0.50 H new ATOM 0 HB3 LYS A 22 -4.758 -3.915 8.929 1.00 0.50 H new ATOM 0 HG2 LYS A 22 -5.862 -5.909 9.870 1.00 0.80 H new ATOM 0 HG3 LYS A 22 -5.731 -6.736 8.331 1.00 0.80 H new ATOM 0 HD2 LYS A 22 -3.936 -7.526 9.727 1.00 1.14 H new ATOM 0 HD3 LYS A 22 -3.225 -6.524 8.477 1.00 1.14 H new ATOM 0 HE2 LYS A 22 -2.180 -5.927 10.561 1.00 1.61 H new ATOM 0 HE3 LYS A 22 -3.213 -4.592 10.090 1.00 1.61 H new ATOM 0 HZ1 LYS A 22 -3.356 -5.258 12.471 1.00 1.91 H new ATOM 0 HZ2 LYS A 22 -4.849 -5.236 11.663 1.00 1.91 H new ATOM 0 HZ3 LYS A 22 -4.078 -6.715 11.982 1.00 1.91 H new ATOM 314 N SER A 23 -6.056 -2.818 5.824 1.00 0.46 N ATOM 315 CA SER A 23 -5.939 -1.596 5.042 1.00 0.48 C ATOM 316 C SER A 23 -7.306 -0.933 4.871 1.00 0.48 C ATOM 317 O SER A 23 -7.441 0.280 5.048 1.00 0.50 O ATOM 318 CB SER A 23 -5.321 -1.899 3.674 1.00 0.52 C ATOM 319 OG SER A 23 -5.045 -0.710 2.960 1.00 1.14 O ATOM 0 H SER A 23 -5.831 -3.668 5.308 1.00 0.46 H new ATOM 0 HA SER A 23 -5.286 -0.906 5.577 1.00 0.48 H new ATOM 0 HB2 SER A 23 -4.401 -2.468 3.806 1.00 0.52 H new ATOM 0 HB3 SER A 23 -6.002 -2.523 3.095 1.00 0.52 H new ATOM 0 HG SER A 23 -5.414 -0.779 2.055 1.00 1.14 H new ATOM 323 N ILE A 24 -8.330 -1.742 4.599 1.00 0.49 N ATOM 324 CA ILE A 24 -9.696 -1.236 4.457 1.00 0.52 C ATOM 325 C ILE A 24 -10.141 -0.549 5.742 1.00 0.49 C ATOM 326 O ILE A 24 -10.724 0.535 5.715 1.00 0.52 O ATOM 327 CB ILE A 24 -10.698 -2.367 4.127 1.00 0.57 C ATOM 328 CG1 ILE A 24 -10.217 -3.174 2.920 1.00 0.63 C ATOM 329 CG2 ILE A 24 -12.082 -1.788 3.860 1.00 0.60 C ATOM 330 CD1 ILE A 24 -11.086 -4.373 2.601 1.00 0.66 C ATOM 0 H ILE A 24 -8.240 -2.750 4.473 1.00 0.49 H new ATOM 0 HA ILE A 24 -9.688 -0.525 3.631 1.00 0.52 H new ATOM 0 HB ILE A 24 -10.760 -3.035 4.986 1.00 0.57 H new ATOM 0 HG12 ILE A 24 -10.182 -2.520 2.048 1.00 0.63 H new ATOM 0 HG13 ILE A 24 -9.198 -3.514 3.105 1.00 0.63 H new ATOM 0 HG21 ILE A 24 -12.776 -2.596 3.629 1.00 0.60 H new ATOM 0 HG22 ILE A 24 -12.429 -1.253 4.744 1.00 0.60 H new ATOM 0 HG23 ILE A 24 -12.032 -1.100 3.016 1.00 0.60 H new ATOM 0 HD11 ILE A 24 -10.682 -4.895 1.734 1.00 0.66 H new ATOM 0 HD12 ILE A 24 -11.102 -5.049 3.456 1.00 0.66 H new ATOM 0 HD13 ILE A 24 -12.101 -4.039 2.383 1.00 0.66 H new ATOM 340 N GLN A 25 -9.811 -1.168 6.867 1.00 0.47 N ATOM 341 CA GLN A 25 -10.141 -0.622 8.174 1.00 0.49 C ATOM 342 C GLN A 25 -9.513 0.755 8.367 1.00 0.44 C ATOM 343 O GLN A 25 -10.192 1.710 8.749 1.00 0.47 O ATOM 344 CB GLN A 25 -9.671 -1.585 9.265 1.00 0.54 C ATOM 345 CG GLN A 25 -9.855 -1.063 10.679 1.00 0.81 C ATOM 346 CD GLN A 25 -9.535 -2.110 11.727 1.00 1.35 C ATOM 347 OE1 GLN A 25 -9.469 -1.815 12.919 1.00 2.19 O ATOM 348 NE2 GLN A 25 -9.357 -3.348 11.293 1.00 1.75 N ATOM 0 H GLN A 25 -9.311 -2.056 6.899 1.00 0.47 H new ATOM 0 HA GLN A 25 -11.223 -0.505 8.241 1.00 0.49 H new ATOM 0 HB2 GLN A 25 -10.214 -2.524 9.163 1.00 0.54 H new ATOM 0 HB3 GLN A 25 -8.616 -1.808 9.107 1.00 0.54 H new ATOM 0 HG2 GLN A 25 -9.214 -0.195 10.829 1.00 0.81 H new ATOM 0 HG3 GLN A 25 -10.884 -0.726 10.808 1.00 0.81 H new ATOM 0 HE21 GLN A 25 -9.420 -3.553 10.296 1.00 1.75 H new ATOM 0 HE22 GLN A 25 -9.157 -4.097 11.956 1.00 1.75 H new ATOM 353 N TYR A 26 -8.235 0.867 8.034 1.00 0.41 N ATOM 354 CA TYR A 26 -7.529 2.137 8.128 1.00 0.42 C ATOM 355 C TYR A 26 -8.084 3.155 7.134 1.00 0.42 C ATOM 356 O TYR A 26 -8.176 4.345 7.443 1.00 0.46 O ATOM 357 CB TYR A 26 -6.028 1.938 7.909 1.00 0.43 C ATOM 358 CG TYR A 26 -5.275 1.594 9.175 1.00 0.46 C ATOM 359 CD1 TYR A 26 -5.744 0.626 10.054 1.00 0.47 C ATOM 360 CD2 TYR A 26 -4.098 2.254 9.496 1.00 0.56 C ATOM 361 CE1 TYR A 26 -5.060 0.330 11.217 1.00 0.54 C ATOM 362 CE2 TYR A 26 -3.407 1.962 10.654 1.00 0.62 C ATOM 363 CZ TYR A 26 -3.892 1.000 11.512 1.00 0.57 C ATOM 364 OH TYR A 26 -3.210 0.713 12.670 1.00 0.66 O ATOM 0 H TYR A 26 -7.665 0.092 7.696 1.00 0.41 H new ATOM 0 HA TYR A 26 -7.684 2.530 9.133 1.00 0.42 H new ATOM 0 HB2 TYR A 26 -5.877 1.143 7.179 1.00 0.43 H new ATOM 0 HB3 TYR A 26 -5.607 2.848 7.481 1.00 0.43 H new ATOM 0 HD1 TYR A 26 -6.657 0.097 9.825 1.00 0.47 H new ATOM 0 HD2 TYR A 26 -3.715 3.011 8.827 1.00 0.56 H new ATOM 0 HE1 TYR A 26 -5.439 -0.423 11.892 1.00 0.54 H new ATOM 0 HE2 TYR A 26 -2.491 2.485 10.886 1.00 0.62 H new ATOM 0 HH TYR A 26 -2.408 1.273 12.725 1.00 0.66 H new ATOM 372 N ALA A 27 -8.469 2.680 5.953 1.00 0.40 N ATOM 373 CA ALA A 27 -9.031 3.542 4.919 1.00 0.44 C ATOM 374 C ALA A 27 -10.355 4.155 5.372 1.00 0.48 C ATOM 375 O ALA A 27 -10.585 5.352 5.193 1.00 0.55 O ATOM 376 CB ALA A 27 -9.223 2.765 3.624 1.00 0.47 C ATOM 0 H ALA A 27 -8.401 1.697 5.688 1.00 0.40 H new ATOM 0 HA ALA A 27 -8.326 4.354 4.740 1.00 0.44 H new ATOM 0 HB1 ALA A 27 -9.643 3.423 2.864 1.00 0.47 H new ATOM 0 HB2 ALA A 27 -8.261 2.384 3.282 1.00 0.47 H new ATOM 0 HB3 ALA A 27 -9.903 1.931 3.798 1.00 0.47 H new ATOM 382 N LYS A 28 -11.224 3.329 5.949 1.00 0.48 N ATOM 383 CA LYS A 28 -12.529 3.793 6.414 1.00 0.56 C ATOM 384 C LYS A 28 -12.370 4.768 7.578 1.00 0.62 C ATOM 385 O LYS A 28 -13.046 5.796 7.643 1.00 0.73 O ATOM 386 CB LYS A 28 -13.416 2.616 6.839 1.00 0.58 C ATOM 387 CG LYS A 28 -13.613 1.579 5.747 1.00 1.02 C ATOM 388 CD LYS A 28 -14.843 0.701 5.974 1.00 1.11 C ATOM 389 CE LYS A 28 -14.680 -0.247 7.155 1.00 1.31 C ATOM 390 NZ LYS A 28 -14.990 0.408 8.455 1.00 2.06 N ATOM 0 H LYS A 28 -11.049 2.336 6.106 1.00 0.48 H new ATOM 0 HA LYS A 28 -13.012 4.307 5.583 1.00 0.56 H new ATOM 0 HB2 LYS A 28 -12.973 2.134 7.711 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -14.390 2.998 7.146 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -13.706 2.084 4.786 1.00 1.02 H new ATOM 0 HG3 LYS A 28 -12.727 0.946 5.690 1.00 1.02 H new ATOM 0 HD2 LYS A 28 -15.712 1.337 6.141 1.00 1.11 H new ATOM 0 HD3 LYS A 28 -15.041 0.121 5.073 1.00 1.11 H new ATOM 0 HE2 LYS A 28 -15.335 -1.108 7.020 1.00 1.31 H new ATOM 0 HE3 LYS A 28 -13.658 -0.624 7.176 1.00 1.31 H new ATOM 0 HZ1 LYS A 28 -14.132 0.437 9.043 1.00 2.06 H new ATOM 0 HZ2 LYS A 28 -15.325 1.378 8.284 1.00 2.06 H new ATOM 0 HZ3 LYS A 28 -15.730 -0.132 8.948 1.00 2.06 H new ATOM 396 N MET A 29 -11.474 4.431 8.500 1.00 0.60 N ATOM 397 CA MET A 29 -11.218 5.266 9.670 1.00 0.73 C ATOM 398 C MET A 29 -10.532 6.568 9.280 1.00 0.75 C ATOM 399 O MET A 29 -10.756 7.608 9.900 1.00 1.07 O ATOM 400 CB MET A 29 -10.356 4.514 10.688 1.00 1.26 C ATOM 401 CG MET A 29 -11.096 3.400 11.410 1.00 1.48 C ATOM 402 SD MET A 29 -10.022 2.441 12.497 1.00 2.39 S ATOM 403 CE MET A 29 -11.209 1.332 13.250 1.00 3.09 C ATOM 0 H MET A 29 -10.910 3.582 8.460 1.00 0.60 H new ATOM 0 HA MET A 29 -12.181 5.505 10.121 1.00 0.73 H new ATOM 0 HB2 MET A 29 -9.491 4.092 10.177 1.00 1.26 H new ATOM 0 HB3 MET A 29 -9.977 5.223 11.424 1.00 1.26 H new ATOM 0 HG2 MET A 29 -11.909 3.829 11.996 1.00 1.48 H new ATOM 0 HG3 MET A 29 -11.550 2.735 10.675 1.00 1.48 H new ATOM 0 HE1 MET A 29 -10.697 0.672 13.951 1.00 3.09 H new ATOM 0 HE2 MET A 29 -11.962 1.912 13.782 1.00 3.09 H new ATOM 0 HE3 MET A 29 -11.691 0.735 12.476 1.00 3.09 H new ATOM 409 N GLY A 30 -9.653 6.496 8.294 1.00 0.77 N ATOM 410 CA GLY A 30 -8.882 7.658 7.907 1.00 1.31 C ATOM 411 C GLY A 30 -7.592 7.749 8.691 1.00 0.87 C ATOM 412 O GLY A 30 -7.245 8.804 9.223 1.00 1.43 O ATOM 0 H GLY A 30 -9.459 5.653 7.754 1.00 0.77 H new ATOM 0 HA2 GLY A 30 -8.659 7.611 6.841 1.00 1.31 H new ATOM 0 HA3 GLY A 30 -9.473 8.559 8.069 1.00 1.31 H new ATOM 416 N GLY A 31 -6.898 6.624 8.793 1.00 0.71 N ATOM 417 CA GLY A 31 -5.652 6.579 9.531 1.00 1.01 C ATOM 418 C GLY A 31 -4.543 5.958 8.715 1.00 1.00 C ATOM 419 O GLY A 31 -3.666 5.285 9.250 1.00 1.67 O ATOM 0 H GLY A 31 -7.178 5.737 8.375 1.00 0.71 H new ATOM 0 HA2 GLY A 31 -5.366 7.589 9.825 1.00 1.01 H new ATOM 0 HA3 GLY A 31 -5.793 6.008 10.449 1.00 1.01 H new ATOM 423 N ALA A 32 -4.563 6.225 7.419 1.00 0.55 N ATOM 424 CA ALA A 32 -3.545 5.722 6.513 1.00 0.47 C ATOM 425 C ALA A 32 -3.211 6.781 5.479 1.00 0.42 C ATOM 426 O ALA A 32 -4.101 7.471 4.984 1.00 0.45 O ATOM 427 CB ALA A 32 -4.020 4.445 5.834 1.00 0.45 C ATOM 0 H ALA A 32 -5.281 6.793 6.968 1.00 0.55 H new ATOM 0 HA ALA A 32 -2.646 5.489 7.084 1.00 0.47 H new ATOM 0 HB1 ALA A 32 -3.245 4.082 5.159 1.00 0.45 H new ATOM 0 HB2 ALA A 32 -4.228 3.687 6.589 1.00 0.45 H new ATOM 0 HB3 ALA A 32 -4.928 4.650 5.267 1.00 0.45 H new ATOM 433 N LYS A 33 -1.931 6.985 5.231 1.00 0.43 N ATOM 434 CA LYS A 33 -1.500 8.038 4.326 1.00 0.45 C ATOM 435 C LYS A 33 -1.373 7.533 2.895 1.00 0.40 C ATOM 436 O LYS A 33 -1.740 8.232 1.954 1.00 0.43 O ATOM 437 CB LYS A 33 -0.179 8.644 4.793 1.00 0.54 C ATOM 438 CG LYS A 33 -0.285 9.403 6.108 1.00 1.19 C ATOM 439 CD LYS A 33 -1.231 10.592 5.997 1.00 1.27 C ATOM 440 CE LYS A 33 -0.722 11.628 5.005 1.00 1.41 C ATOM 441 NZ LYS A 33 -1.653 12.782 4.872 1.00 1.85 N ATOM 0 H LYS A 33 -1.173 6.439 5.641 1.00 0.43 H new ATOM 0 HA LYS A 33 -2.267 8.813 4.339 1.00 0.45 H new ATOM 0 HB2 LYS A 33 0.557 7.848 4.902 1.00 0.54 H new ATOM 0 HB3 LYS A 33 0.193 9.320 4.023 1.00 0.54 H new ATOM 0 HG2 LYS A 33 -0.637 8.730 6.890 1.00 1.19 H new ATOM 0 HG3 LYS A 33 0.703 9.751 6.408 1.00 1.19 H new ATOM 0 HD2 LYS A 33 -2.216 10.245 5.687 1.00 1.27 H new ATOM 0 HD3 LYS A 33 -1.350 11.055 6.977 1.00 1.27 H new ATOM 0 HE2 LYS A 33 0.256 11.987 5.326 1.00 1.41 H new ATOM 0 HE3 LYS A 33 -0.585 11.159 4.030 1.00 1.41 H new ATOM 0 HZ1 LYS A 33 -1.267 13.462 4.187 1.00 1.85 H new ATOM 0 HZ2 LYS A 33 -2.579 12.444 4.540 1.00 1.85 H new ATOM 0 HZ3 LYS A 33 -1.764 13.246 5.796 1.00 1.85 H new ATOM 447 N LEU A 34 -0.824 6.342 2.723 1.00 0.36 N ATOM 448 CA LEU A 34 -0.623 5.806 1.381 1.00 0.34 C ATOM 449 C LEU A 34 -0.983 4.328 1.343 1.00 0.32 C ATOM 450 O LEU A 34 -0.355 3.519 2.015 1.00 0.49 O ATOM 451 CB LEU A 34 0.840 6.011 0.958 1.00 0.40 C ATOM 452 CG LEU A 34 1.108 6.086 -0.554 1.00 0.51 C ATOM 453 CD1 LEU A 34 0.903 4.740 -1.228 1.00 1.06 C ATOM 454 CD2 LEU A 34 0.225 7.140 -1.201 1.00 0.99 C ATOM 0 H LEU A 34 -0.513 5.734 3.480 1.00 0.36 H new ATOM 0 HA LEU A 34 -1.273 6.335 0.684 1.00 0.34 H new ATOM 0 HB2 LEU A 34 1.203 6.931 1.416 1.00 0.40 H new ATOM 0 HB3 LEU A 34 1.433 5.195 1.370 1.00 0.40 H new ATOM 0 HG LEU A 34 2.152 6.369 -0.688 1.00 0.51 H new ATOM 0 HD11 LEU A 34 1.102 4.834 -2.296 1.00 1.06 H new ATOM 0 HD12 LEU A 34 1.585 4.008 -0.795 1.00 1.06 H new ATOM 0 HD13 LEU A 34 -0.125 4.411 -1.078 1.00 1.06 H new ATOM 0 HD21 LEU A 34 0.429 7.179 -2.271 1.00 0.99 H new ATOM 0 HD22 LEU A 34 -0.823 6.886 -1.040 1.00 0.99 H new ATOM 0 HD23 LEU A 34 0.434 8.113 -0.756 1.00 0.99 H new ATOM 464 N ILE A 35 -1.967 3.971 0.533 1.00 0.26 N ATOM 465 CA ILE A 35 -2.363 2.576 0.400 1.00 0.23 C ATOM 466 C ILE A 35 -1.794 1.974 -0.879 1.00 0.24 C ATOM 467 O ILE A 35 -1.870 2.578 -1.943 1.00 0.31 O ATOM 468 CB ILE A 35 -3.900 2.414 0.423 1.00 0.25 C ATOM 469 CG1 ILE A 35 -4.450 2.872 1.776 1.00 0.25 C ATOM 470 CG2 ILE A 35 -4.296 0.969 0.144 1.00 0.26 C ATOM 471 CD1 ILE A 35 -5.948 2.732 1.906 1.00 0.30 C ATOM 0 H ILE A 35 -2.504 4.622 -0.039 1.00 0.26 H new ATOM 0 HA ILE A 35 -1.955 2.040 1.257 1.00 0.23 H new ATOM 0 HB ILE A 35 -4.329 3.037 -0.362 1.00 0.25 H new ATOM 0 HG12 ILE A 35 -3.971 2.294 2.566 1.00 0.25 H new ATOM 0 HG13 ILE A 35 -4.177 3.915 1.934 1.00 0.25 H new ATOM 0 HG21 ILE A 35 -5.382 0.879 0.165 1.00 0.26 H new ATOM 0 HG22 ILE A 35 -3.926 0.674 -0.838 1.00 0.26 H new ATOM 0 HG23 ILE A 35 -3.863 0.320 0.905 1.00 0.26 H new ATOM 0 HD11 ILE A 35 -6.261 3.077 2.891 1.00 0.30 H new ATOM 0 HD12 ILE A 35 -6.437 3.332 1.139 1.00 0.30 H new ATOM 0 HD13 ILE A 35 -6.228 1.686 1.782 1.00 0.30 H new ATOM 481 N ILE A 36 -1.207 0.795 -0.759 1.00 0.22 N ATOM 482 CA ILE A 36 -0.622 0.107 -1.901 1.00 0.25 C ATOM 483 C ILE A 36 -1.283 -1.254 -2.092 1.00 0.24 C ATOM 484 O ILE A 36 -1.447 -2.012 -1.134 1.00 0.25 O ATOM 485 CB ILE A 36 0.901 -0.077 -1.727 1.00 0.29 C ATOM 486 CG1 ILE A 36 1.568 1.285 -1.516 1.00 0.32 C ATOM 487 CG2 ILE A 36 1.498 -0.786 -2.936 1.00 0.34 C ATOM 488 CD1 ILE A 36 3.034 1.200 -1.159 1.00 0.40 C ATOM 0 H ILE A 36 -1.122 0.290 0.123 1.00 0.22 H new ATOM 0 HA ILE A 36 -0.795 0.723 -2.783 1.00 0.25 H new ATOM 0 HB ILE A 36 1.083 -0.697 -0.849 1.00 0.29 H new ATOM 0 HG12 ILE A 36 1.459 1.877 -2.425 1.00 0.32 H new ATOM 0 HG13 ILE A 36 1.042 1.818 -0.724 1.00 0.32 H new ATOM 0 HG21 ILE A 36 2.572 -0.906 -2.794 1.00 0.34 H new ATOM 0 HG22 ILE A 36 1.035 -1.766 -3.048 1.00 0.34 H new ATOM 0 HG23 ILE A 36 1.315 -0.194 -3.832 1.00 0.34 H new ATOM 0 HD11 ILE A 36 3.435 2.205 -1.026 1.00 0.40 H new ATOM 0 HD12 ILE A 36 3.151 0.637 -0.233 1.00 0.40 H new ATOM 0 HD13 ILE A 36 3.575 0.697 -1.960 1.00 0.40 H new ATOM 498 N VAL A 37 -1.690 -1.544 -3.320 1.00 0.25 N ATOM 499 CA VAL A 37 -2.354 -2.804 -3.623 1.00 0.25 C ATOM 500 C VAL A 37 -1.636 -3.552 -4.745 1.00 0.23 C ATOM 501 O VAL A 37 -1.302 -2.968 -5.776 1.00 0.26 O ATOM 502 CB VAL A 37 -3.838 -2.591 -4.016 1.00 0.31 C ATOM 503 CG1 VAL A 37 -4.654 -2.125 -2.820 1.00 0.34 C ATOM 504 CG2 VAL A 37 -3.964 -1.593 -5.160 1.00 0.31 C ATOM 0 H VAL A 37 -1.572 -0.925 -4.122 1.00 0.25 H new ATOM 0 HA VAL A 37 -2.317 -3.403 -2.713 1.00 0.25 H new ATOM 0 HB VAL A 37 -4.232 -3.550 -4.352 1.00 0.31 H new ATOM 0 HG11 VAL A 37 -5.692 -1.982 -3.121 1.00 0.34 H new ATOM 0 HG12 VAL A 37 -4.605 -2.876 -2.031 1.00 0.34 H new ATOM 0 HG13 VAL A 37 -4.251 -1.182 -2.450 1.00 0.34 H new ATOM 0 HG21 VAL A 37 -5.016 -1.463 -5.415 1.00 0.31 H new ATOM 0 HG22 VAL A 37 -3.543 -0.635 -4.855 1.00 0.31 H new ATOM 0 HG23 VAL A 37 -3.423 -1.966 -6.030 1.00 0.31 H new ATOM 514 N ALA A 38 -1.426 -4.848 -4.547 1.00 0.20 N ATOM 515 CA ALA A 38 -0.801 -5.692 -5.562 1.00 0.21 C ATOM 516 C ALA A 38 -1.743 -5.878 -6.746 1.00 0.27 C ATOM 517 O ALA A 38 -2.936 -6.109 -6.561 1.00 0.33 O ATOM 518 CB ALA A 38 -0.433 -7.041 -4.966 1.00 0.26 C ATOM 0 H ALA A 38 -1.680 -5.340 -3.690 1.00 0.20 H new ATOM 0 HA ALA A 38 0.108 -5.204 -5.913 1.00 0.21 H new ATOM 0 HB1 ALA A 38 0.032 -7.662 -5.731 1.00 0.26 H new ATOM 0 HB2 ALA A 38 0.266 -6.896 -4.142 1.00 0.26 H new ATOM 0 HB3 ALA A 38 -1.333 -7.533 -4.597 1.00 0.26 H new ATOM 524 N ARG A 39 -1.215 -5.766 -7.960 1.00 0.41 N ATOM 525 CA ARG A 39 -2.030 -5.946 -9.158 1.00 0.56 C ATOM 526 C ARG A 39 -2.587 -7.358 -9.226 1.00 0.54 C ATOM 527 O ARG A 39 -3.723 -7.565 -9.648 1.00 0.60 O ATOM 528 CB ARG A 39 -1.228 -5.643 -10.425 1.00 0.77 C ATOM 529 CG ARG A 39 -1.237 -4.175 -10.800 1.00 0.96 C ATOM 530 CD ARG A 39 -0.541 -3.926 -12.125 1.00 1.49 C ATOM 531 NE ARG A 39 -0.704 -2.542 -12.571 1.00 2.48 N ATOM 532 CZ ARG A 39 -0.186 -2.053 -13.695 1.00 3.10 C ATOM 533 NH1 ARG A 39 0.486 -2.849 -14.519 1.00 3.10 N ATOM 534 NH2 ARG A 39 -0.351 -0.771 -14.000 1.00 4.14 N ATOM 0 H ARG A 39 -0.234 -5.553 -8.141 1.00 0.41 H new ATOM 0 HA ARG A 39 -2.860 -5.242 -9.097 1.00 0.56 H new ATOM 0 HB2 ARG A 39 -0.198 -5.968 -10.282 1.00 0.77 H new ATOM 0 HB3 ARG A 39 -1.634 -6.225 -11.252 1.00 0.77 H new ATOM 0 HG2 ARG A 39 -2.266 -3.821 -10.858 1.00 0.96 H new ATOM 0 HG3 ARG A 39 -0.745 -3.597 -10.017 1.00 0.96 H new ATOM 0 HD2 ARG A 39 0.520 -4.154 -12.027 1.00 1.49 H new ATOM 0 HD3 ARG A 39 -0.944 -4.601 -12.880 1.00 1.49 H new ATOM 0 HE ARG A 39 -1.249 -1.912 -11.983 1.00 2.48 H new ATOM 0 HH11 ARG A 39 0.605 -3.836 -14.290 1.00 3.10 H new ATOM 0 HH12 ARG A 39 0.883 -2.473 -15.380 1.00 3.10 H new ATOM 0 HH21 ARG A 39 -0.875 -0.161 -13.373 1.00 4.14 H new ATOM 0 HH22 ARG A 39 0.046 -0.397 -14.862 1.00 4.14 H new ATOM 542 N ASN A 40 -1.788 -8.322 -8.800 1.00 0.55 N ATOM 543 CA ASN A 40 -2.205 -9.719 -8.813 1.00 0.64 C ATOM 544 C ASN A 40 -2.921 -10.098 -7.519 1.00 0.58 C ATOM 545 O ASN A 40 -2.916 -11.260 -7.110 1.00 0.87 O ATOM 546 CB ASN A 40 -1.005 -10.641 -9.033 1.00 0.81 C ATOM 547 CG ASN A 40 -0.346 -10.436 -10.384 1.00 1.57 C ATOM 548 OD1 ASN A 40 0.290 -9.409 -10.630 1.00 2.18 O ATOM 549 ND2 ASN A 40 -0.500 -11.406 -11.270 1.00 2.33 N ATOM 0 H ASN A 40 -0.846 -8.165 -8.440 1.00 0.55 H new ATOM 0 HA ASN A 40 -2.904 -9.843 -9.640 1.00 0.64 H new ATOM 0 HB2 ASN A 40 -0.271 -10.468 -8.246 1.00 0.81 H new ATOM 0 HB3 ASN A 40 -1.329 -11.678 -8.945 1.00 0.81 H new ATOM 0 HD21 ASN A 40 -0.085 -11.320 -12.198 1.00 2.33 H new ATOM 0 HD22 ASN A 40 -1.034 -12.240 -11.026 1.00 2.33 H new ATOM 554 N ALA A 41 -3.617 -9.136 -6.930 1.00 0.46 N ATOM 555 CA ALA A 41 -4.450 -9.398 -5.766 1.00 0.43 C ATOM 556 C ALA A 41 -5.892 -9.586 -6.207 1.00 0.40 C ATOM 557 O ALA A 41 -6.214 -9.378 -7.380 1.00 0.44 O ATOM 558 CB ALA A 41 -4.337 -8.267 -4.753 1.00 0.47 C ATOM 0 H ALA A 41 -3.621 -8.164 -7.241 1.00 0.46 H new ATOM 0 HA ALA A 41 -4.105 -10.311 -5.281 1.00 0.43 H new ATOM 0 HB1 ALA A 41 -4.968 -8.485 -3.892 1.00 0.47 H new ATOM 0 HB2 ALA A 41 -3.301 -8.172 -4.428 1.00 0.47 H new ATOM 0 HB3 ALA A 41 -4.661 -7.333 -5.213 1.00 0.47 H new ATOM 564 N ARG A 42 -6.757 -9.984 -5.283 1.00 0.40 N ATOM 565 CA ARG A 42 -8.163 -10.191 -5.603 1.00 0.43 C ATOM 566 C ARG A 42 -8.811 -8.878 -6.031 1.00 0.44 C ATOM 567 O ARG A 42 -8.679 -7.857 -5.351 1.00 0.42 O ATOM 568 CB ARG A 42 -8.902 -10.791 -4.407 1.00 0.50 C ATOM 569 CG ARG A 42 -8.357 -12.145 -3.988 1.00 0.61 C ATOM 570 CD ARG A 42 -9.139 -12.733 -2.827 1.00 1.23 C ATOM 571 NE ARG A 42 -8.513 -13.950 -2.313 1.00 2.10 N ATOM 572 CZ ARG A 42 -9.032 -14.704 -1.345 1.00 2.98 C ATOM 573 NH1 ARG A 42 -10.233 -14.425 -0.851 1.00 3.25 N ATOM 574 NH2 ARG A 42 -8.350 -15.746 -0.883 1.00 3.98 N ATOM 0 H ARG A 42 -6.511 -10.169 -4.311 1.00 0.40 H new ATOM 0 HA ARG A 42 -8.229 -10.894 -6.434 1.00 0.43 H new ATOM 0 HB2 ARG A 42 -8.836 -10.103 -3.564 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -9.959 -10.892 -4.654 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -8.394 -12.830 -4.835 1.00 0.61 H new ATOM 0 HG3 ARG A 42 -7.309 -12.044 -3.706 1.00 0.61 H new ATOM 0 HD2 ARG A 42 -9.212 -11.996 -2.027 1.00 1.23 H new ATOM 0 HD3 ARG A 42 -10.156 -12.955 -3.149 1.00 1.23 H new ATOM 0 HE ARG A 42 -7.624 -14.240 -2.721 1.00 2.10 H new ATOM 0 HH11 ARG A 42 -10.761 -13.631 -1.213 1.00 3.25 H new ATOM 0 HH12 ARG A 42 -10.627 -15.005 -0.110 1.00 3.25 H new ATOM 0 HH21 ARG A 42 -7.432 -15.967 -1.269 1.00 3.98 H new ATOM 0 HH22 ARG A 42 -8.744 -16.326 -0.142 1.00 3.98 H new ATOM 582 N PRO A 43 -9.460 -8.876 -7.206 1.00 0.50 N ATOM 583 CA PRO A 43 -10.061 -7.672 -7.787 1.00 0.58 C ATOM 584 C PRO A 43 -11.101 -7.035 -6.875 1.00 0.60 C ATOM 585 O PRO A 43 -11.117 -5.818 -6.706 1.00 0.64 O ATOM 586 CB PRO A 43 -10.715 -8.178 -9.076 1.00 0.67 C ATOM 587 CG PRO A 43 -9.971 -9.420 -9.416 1.00 0.86 C ATOM 588 CD PRO A 43 -9.589 -10.039 -8.103 1.00 0.55 C ATOM 0 HA PRO A 43 -9.317 -6.892 -7.950 1.00 0.58 H new ATOM 0 HB2 PRO A 43 -11.776 -8.380 -8.929 1.00 0.67 H new ATOM 0 HB3 PRO A 43 -10.639 -7.440 -9.875 1.00 0.67 H new ATOM 0 HG2 PRO A 43 -10.590 -10.099 -10.003 1.00 0.86 H new ATOM 0 HG3 PRO A 43 -9.088 -9.196 -10.014 1.00 0.86 H new ATOM 0 HD2 PRO A 43 -10.349 -10.737 -7.751 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -8.655 -10.596 -8.177 1.00 0.55 H new ATOM 590 N ASP A 44 -11.935 -7.865 -6.256 1.00 0.61 N ATOM 591 CA ASP A 44 -12.967 -7.382 -5.339 1.00 0.68 C ATOM 592 C ASP A 44 -12.330 -6.610 -4.188 1.00 0.60 C ATOM 593 O ASP A 44 -12.776 -5.519 -3.829 1.00 0.65 O ATOM 594 CB ASP A 44 -13.782 -8.557 -4.789 1.00 0.77 C ATOM 595 CG ASP A 44 -15.013 -8.116 -4.018 1.00 1.62 C ATOM 596 OD1 ASP A 44 -15.438 -6.953 -4.168 1.00 2.48 O ATOM 597 OD2 ASP A 44 -15.577 -8.946 -3.273 1.00 2.04 O ATOM 0 H ASP A 44 -11.918 -8.878 -6.372 1.00 0.61 H new ATOM 0 HA ASP A 44 -13.633 -6.716 -5.887 1.00 0.68 H new ATOM 0 HB2 ASP A 44 -14.088 -9.198 -5.616 1.00 0.77 H new ATOM 0 HB3 ASP A 44 -13.148 -9.158 -4.137 1.00 0.77 H new ATOM 600 N ILE A 45 -11.229 -7.150 -3.681 1.00 0.50 N ATOM 601 CA ILE A 45 -10.466 -6.507 -2.618 1.00 0.44 C ATOM 602 C ILE A 45 -9.894 -5.172 -3.086 1.00 0.40 C ATOM 603 O ILE A 45 -10.062 -4.151 -2.419 1.00 0.38 O ATOM 604 CB ILE A 45 -9.325 -7.424 -2.125 1.00 0.45 C ATOM 605 CG1 ILE A 45 -9.903 -8.703 -1.509 1.00 0.54 C ATOM 606 CG2 ILE A 45 -8.429 -6.701 -1.125 1.00 0.42 C ATOM 607 CD1 ILE A 45 -10.858 -8.452 -0.358 1.00 0.62 C ATOM 0 H ILE A 45 -10.841 -8.041 -3.992 1.00 0.50 H new ATOM 0 HA ILE A 45 -11.149 -6.322 -1.789 1.00 0.44 H new ATOM 0 HB ILE A 45 -8.711 -7.695 -2.984 1.00 0.45 H new ATOM 0 HG12 ILE A 45 -10.423 -9.265 -2.284 1.00 0.54 H new ATOM 0 HG13 ILE A 45 -9.082 -9.329 -1.158 1.00 0.54 H new ATOM 0 HG21 ILE A 45 -7.635 -7.372 -0.796 1.00 0.42 H new ATOM 0 HG22 ILE A 45 -7.989 -5.823 -1.599 1.00 0.42 H new ATOM 0 HG23 ILE A 45 -9.021 -6.390 -0.264 1.00 0.42 H new ATOM 0 HD11 ILE A 45 -11.225 -9.404 0.025 1.00 0.62 H new ATOM 0 HD12 ILE A 45 -10.337 -7.918 0.437 1.00 0.62 H new ATOM 0 HD13 ILE A 45 -11.699 -7.853 -0.707 1.00 0.62 H new ATOM 617 N LYS A 46 -9.265 -5.176 -4.258 1.00 0.45 N ATOM 618 CA LYS A 46 -8.696 -3.954 -4.821 1.00 0.50 C ATOM 619 C LYS A 46 -9.773 -2.895 -5.022 1.00 0.52 C ATOM 620 O LYS A 46 -9.624 -1.762 -4.573 1.00 0.51 O ATOM 621 CB LYS A 46 -7.999 -4.239 -6.154 1.00 0.58 C ATOM 622 CG LYS A 46 -6.792 -5.153 -6.030 1.00 0.59 C ATOM 623 CD LYS A 46 -6.081 -5.355 -7.364 1.00 0.74 C ATOM 624 CE LYS A 46 -5.268 -4.131 -7.780 1.00 1.09 C ATOM 625 NZ LYS A 46 -6.102 -3.069 -8.410 1.00 1.59 N ATOM 0 H LYS A 46 -9.136 -6.008 -4.835 1.00 0.45 H new ATOM 0 HA LYS A 46 -7.959 -3.577 -4.112 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -8.716 -4.690 -6.839 1.00 0.58 H new ATOM 0 HB3 LYS A 46 -7.684 -3.295 -6.598 1.00 0.58 H new ATOM 0 HG2 LYS A 46 -6.093 -4.732 -5.308 1.00 0.59 H new ATOM 0 HG3 LYS A 46 -7.110 -6.120 -5.640 1.00 0.59 H new ATOM 0 HD2 LYS A 46 -5.421 -6.220 -7.294 1.00 0.74 H new ATOM 0 HD3 LYS A 46 -6.818 -5.578 -8.136 1.00 0.74 H new ATOM 0 HE2 LYS A 46 -4.765 -3.720 -6.904 1.00 1.09 H new ATOM 0 HE3 LYS A 46 -4.490 -4.438 -8.479 1.00 1.09 H new ATOM 0 HZ1 LYS A 46 -5.648 -2.747 -9.288 1.00 1.59 H new ATOM 0 HZ2 LYS A 46 -7.045 -3.451 -8.627 1.00 1.59 H new ATOM 0 HZ3 LYS A 46 -6.196 -2.267 -7.755 1.00 1.59 H new ATOM 631 N GLU A 47 -10.869 -3.282 -5.662 1.00 0.59 N ATOM 632 CA GLU A 47 -11.973 -2.365 -5.929 1.00 0.65 C ATOM 633 C GLU A 47 -12.546 -1.790 -4.639 1.00 0.55 C ATOM 634 O GLU A 47 -12.896 -0.611 -4.582 1.00 0.55 O ATOM 635 CB GLU A 47 -13.078 -3.071 -6.716 1.00 0.79 C ATOM 636 CG GLU A 47 -12.638 -3.520 -8.098 1.00 1.15 C ATOM 637 CD GLU A 47 -12.274 -2.362 -9.007 1.00 1.76 C ATOM 638 OE1 GLU A 47 -12.589 -1.201 -8.669 1.00 2.60 O ATOM 639 OE2 GLU A 47 -11.690 -2.613 -10.082 1.00 2.06 O ATOM 0 H GLU A 47 -11.019 -4.230 -6.008 1.00 0.59 H new ATOM 0 HA GLU A 47 -11.578 -1.542 -6.524 1.00 0.65 H new ATOM 0 HB2 GLU A 47 -13.419 -3.939 -6.151 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -13.931 -2.399 -6.814 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -11.779 -4.184 -8.002 1.00 1.15 H new ATOM 0 HG3 GLU A 47 -13.439 -4.099 -8.558 1.00 1.15 H new ATOM 642 N ASP A 48 -12.653 -2.626 -3.615 1.00 0.50 N ATOM 643 CA ASP A 48 -13.201 -2.191 -2.338 1.00 0.47 C ATOM 644 C ASP A 48 -12.295 -1.150 -1.691 1.00 0.35 C ATOM 645 O ASP A 48 -12.735 -0.050 -1.338 1.00 0.36 O ATOM 646 CB ASP A 48 -13.375 -3.384 -1.396 1.00 0.55 C ATOM 647 CG ASP A 48 -14.312 -3.085 -0.240 1.00 0.62 C ATOM 648 OD1 ASP A 48 -14.999 -2.040 -0.274 1.00 1.21 O ATOM 649 OD2 ASP A 48 -14.400 -3.918 0.691 1.00 1.00 O ATOM 0 H ASP A 48 -12.369 -3.605 -3.643 1.00 0.50 H new ATOM 0 HA ASP A 48 -14.176 -1.741 -2.524 1.00 0.47 H new ATOM 0 HB2 ASP A 48 -13.760 -4.234 -1.960 1.00 0.55 H new ATOM 0 HB3 ASP A 48 -12.401 -3.677 -1.003 1.00 0.55 H new ATOM 652 N ILE A 49 -11.017 -1.493 -1.576 1.00 0.29 N ATOM 653 CA ILE A 49 -10.036 -0.612 -0.955 1.00 0.24 C ATOM 654 C ILE A 49 -9.871 0.691 -1.733 1.00 0.26 C ATOM 655 O ILE A 49 -9.941 1.772 -1.154 1.00 0.26 O ATOM 656 CB ILE A 49 -8.658 -1.298 -0.830 1.00 0.24 C ATOM 657 CG1 ILE A 49 -8.789 -2.601 -0.043 1.00 0.30 C ATOM 658 CG2 ILE A 49 -7.656 -0.369 -0.158 1.00 0.35 C ATOM 659 CD1 ILE A 49 -7.493 -3.370 0.086 1.00 0.36 C ATOM 0 H ILE A 49 -10.635 -2.379 -1.907 1.00 0.29 H new ATOM 0 HA ILE A 49 -10.417 -0.385 0.041 1.00 0.24 H new ATOM 0 HB ILE A 49 -8.292 -1.528 -1.831 1.00 0.24 H new ATOM 0 HG12 ILE A 49 -9.168 -2.376 0.954 1.00 0.30 H new ATOM 0 HG13 ILE A 49 -9.530 -3.235 -0.529 1.00 0.30 H new ATOM 0 HG21 ILE A 49 -6.691 -0.870 -0.079 1.00 0.35 H new ATOM 0 HG22 ILE A 49 -7.546 0.538 -0.752 1.00 0.35 H new ATOM 0 HG23 ILE A 49 -8.012 -0.109 0.839 1.00 0.35 H new ATOM 0 HD11 ILE A 49 -7.666 -4.282 0.657 1.00 0.36 H new ATOM 0 HD12 ILE A 49 -7.123 -3.628 -0.906 1.00 0.36 H new ATOM 0 HD13 ILE A 49 -6.755 -2.755 0.600 1.00 0.36 H new ATOM 669 N GLU A 50 -9.632 0.579 -3.037 1.00 0.31 N ATOM 670 CA GLU A 50 -9.398 1.750 -3.880 1.00 0.39 C ATOM 671 C GLU A 50 -10.572 2.720 -3.823 1.00 0.43 C ATOM 672 O GLU A 50 -10.384 3.925 -3.657 1.00 0.48 O ATOM 673 CB GLU A 50 -9.147 1.325 -5.329 1.00 0.46 C ATOM 674 CG GLU A 50 -7.893 0.483 -5.515 1.00 0.61 C ATOM 675 CD GLU A 50 -7.787 -0.110 -6.905 1.00 1.15 C ATOM 676 OE1 GLU A 50 -8.654 0.188 -7.758 1.00 1.67 O ATOM 677 OE2 GLU A 50 -6.834 -0.873 -7.162 1.00 1.57 O ATOM 0 H GLU A 50 -9.595 -0.311 -3.534 1.00 0.31 H new ATOM 0 HA GLU A 50 -8.514 2.260 -3.497 1.00 0.39 H new ATOM 0 HB2 GLU A 50 -10.008 0.761 -5.686 1.00 0.46 H new ATOM 0 HB3 GLU A 50 -9.070 2.217 -5.951 1.00 0.46 H new ATOM 0 HG2 GLU A 50 -7.015 1.098 -5.319 1.00 0.61 H new ATOM 0 HG3 GLU A 50 -7.889 -0.322 -4.780 1.00 0.61 H new ATOM 680 N TYR A 51 -11.785 2.188 -3.934 1.00 0.44 N ATOM 681 CA TYR A 51 -12.982 3.015 -3.900 1.00 0.52 C ATOM 682 C TYR A 51 -13.124 3.716 -2.553 1.00 0.47 C ATOM 683 O TYR A 51 -13.324 4.927 -2.495 1.00 0.51 O ATOM 684 CB TYR A 51 -14.226 2.165 -4.182 1.00 0.61 C ATOM 685 CG TYR A 51 -15.518 2.949 -4.157 1.00 0.70 C ATOM 686 CD1 TYR A 51 -15.656 4.124 -4.883 1.00 0.78 C ATOM 687 CD2 TYR A 51 -16.602 2.510 -3.408 1.00 0.77 C ATOM 688 CE1 TYR A 51 -16.833 4.841 -4.858 1.00 0.88 C ATOM 689 CE2 TYR A 51 -17.783 3.225 -3.377 1.00 0.87 C ATOM 690 CZ TYR A 51 -17.894 4.388 -4.106 1.00 0.91 C ATOM 691 OH TYR A 51 -19.065 5.110 -4.073 1.00 1.03 O ATOM 0 H TYR A 51 -11.963 1.190 -4.048 1.00 0.44 H new ATOM 0 HA TYR A 51 -12.888 3.776 -4.675 1.00 0.52 H new ATOM 0 HB2 TYR A 51 -14.118 1.692 -5.158 1.00 0.61 H new ATOM 0 HB3 TYR A 51 -14.283 1.365 -3.444 1.00 0.61 H new ATOM 0 HD1 TYR A 51 -14.828 4.482 -5.477 1.00 0.78 H new ATOM 0 HD2 TYR A 51 -16.520 1.595 -2.841 1.00 0.77 H new ATOM 0 HE1 TYR A 51 -16.923 5.755 -5.426 1.00 0.88 H new ATOM 0 HE2 TYR A 51 -18.615 2.874 -2.784 1.00 0.87 H new ATOM 0 HH TYR A 51 -19.714 4.654 -3.498 1.00 1.03 H new ATOM 699 N TYR A 52 -13.027 2.949 -1.474 1.00 0.43 N ATOM 700 CA TYR A 52 -13.194 3.496 -0.133 1.00 0.42 C ATOM 701 C TYR A 52 -12.091 4.490 0.223 1.00 0.38 C ATOM 702 O TYR A 52 -12.363 5.543 0.803 1.00 0.41 O ATOM 703 CB TYR A 52 -13.258 2.371 0.898 1.00 0.47 C ATOM 704 CG TYR A 52 -14.656 1.827 1.108 1.00 0.53 C ATOM 705 CD1 TYR A 52 -15.441 1.419 0.036 1.00 0.81 C ATOM 706 CD2 TYR A 52 -15.192 1.728 2.382 1.00 0.97 C ATOM 707 CE1 TYR A 52 -16.721 0.932 0.233 1.00 0.89 C ATOM 708 CE2 TYR A 52 -16.469 1.244 2.587 1.00 1.09 C ATOM 709 CZ TYR A 52 -17.228 0.845 1.511 1.00 0.84 C ATOM 710 OH TYR A 52 -18.503 0.363 1.715 1.00 0.97 O ATOM 0 H TYR A 52 -12.834 1.948 -1.501 1.00 0.43 H new ATOM 0 HA TYR A 52 -14.137 4.043 -0.119 1.00 0.42 H new ATOM 0 HB2 TYR A 52 -12.604 1.559 0.580 1.00 0.47 H new ATOM 0 HB3 TYR A 52 -12.872 2.737 1.849 1.00 0.47 H new ATOM 0 HD1 TYR A 52 -15.045 1.483 -0.967 1.00 0.81 H new ATOM 0 HD2 TYR A 52 -14.600 2.035 3.231 1.00 0.97 H new ATOM 0 HE1 TYR A 52 -17.320 0.622 -0.611 1.00 0.89 H new ATOM 0 HE2 TYR A 52 -16.870 1.179 3.588 1.00 1.09 H new ATOM 0 HH TYR A 52 -18.705 0.367 2.674 1.00 0.97 H new ATOM 718 N ALA A 53 -10.859 4.172 -0.149 1.00 0.33 N ATOM 719 CA ALA A 53 -9.737 5.065 0.106 1.00 0.34 C ATOM 720 C ALA A 53 -9.919 6.376 -0.647 1.00 0.39 C ATOM 721 O ALA A 53 -9.696 7.454 -0.096 1.00 0.42 O ATOM 722 CB ALA A 53 -8.425 4.403 -0.284 1.00 0.34 C ATOM 0 H ALA A 53 -10.611 3.306 -0.627 1.00 0.33 H new ATOM 0 HA ALA A 53 -9.706 5.281 1.174 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -7.599 5.087 -0.086 1.00 0.34 H new ATOM 0 HB2 ALA A 53 -8.290 3.492 0.299 1.00 0.34 H new ATOM 0 HB3 ALA A 53 -8.444 4.155 -1.345 1.00 0.34 H new ATOM 728 N ARG A 54 -10.380 6.272 -1.888 1.00 0.42 N ATOM 729 CA ARG A 54 -10.641 7.442 -2.719 1.00 0.50 C ATOM 730 C ARG A 54 -11.704 8.333 -2.075 1.00 0.51 C ATOM 731 O ARG A 54 -11.593 9.559 -2.097 1.00 0.55 O ATOM 732 CB ARG A 54 -11.088 6.993 -4.113 1.00 0.57 C ATOM 733 CG ARG A 54 -10.395 7.722 -5.256 1.00 1.11 C ATOM 734 CD ARG A 54 -10.954 9.122 -5.460 1.00 1.37 C ATOM 735 NE ARG A 54 -10.357 9.784 -6.619 1.00 2.13 N ATOM 736 CZ ARG A 54 -9.142 10.333 -6.629 1.00 3.01 C ATOM 737 NH1 ARG A 54 -8.440 10.447 -5.508 1.00 3.33 N ATOM 738 NH2 ARG A 54 -8.650 10.816 -7.759 1.00 4.04 N ATOM 0 H ARG A 54 -10.582 5.382 -2.344 1.00 0.42 H new ATOM 0 HA ARG A 54 -9.724 8.024 -2.810 1.00 0.50 H new ATOM 0 HB2 ARG A 54 -10.904 5.923 -4.214 1.00 0.57 H new ATOM 0 HB3 ARG A 54 -12.164 7.141 -4.202 1.00 0.57 H new ATOM 0 HG2 ARG A 54 -9.326 7.784 -5.051 1.00 1.11 H new ATOM 0 HG3 ARG A 54 -10.510 7.148 -6.175 1.00 1.11 H new ATOM 0 HD2 ARG A 54 -12.035 9.066 -5.591 1.00 1.37 H new ATOM 0 HD3 ARG A 54 -10.772 9.719 -4.567 1.00 1.37 H new ATOM 0 HE ARG A 54 -10.907 9.829 -7.477 1.00 2.13 H new ATOM 0 HH11 ARG A 54 -8.829 10.113 -4.626 1.00 3.33 H new ATOM 0 HH12 ARG A 54 -7.512 10.869 -5.528 1.00 3.33 H new ATOM 0 HH21 ARG A 54 -9.200 10.767 -8.617 1.00 4.04 H new ATOM 0 HH22 ARG A 54 -7.721 11.237 -7.772 1.00 4.04 H new ATOM 746 N LEU A 55 -12.705 7.708 -1.459 1.00 0.50 N ATOM 747 CA LEU A 55 -13.768 8.438 -0.767 1.00 0.55 C ATOM 748 C LEU A 55 -13.195 9.259 0.384 1.00 0.55 C ATOM 749 O LEU A 55 -13.474 10.451 0.511 1.00 0.61 O ATOM 750 CB LEU A 55 -14.824 7.470 -0.226 1.00 0.61 C ATOM 751 CG LEU A 55 -15.493 6.581 -1.274 1.00 0.86 C ATOM 752 CD1 LEU A 55 -16.412 5.572 -0.605 1.00 1.31 C ATOM 753 CD2 LEU A 55 -16.264 7.423 -2.280 1.00 1.37 C ATOM 0 H LEU A 55 -12.803 6.693 -1.424 1.00 0.50 H new ATOM 0 HA LEU A 55 -14.235 9.110 -1.487 1.00 0.55 H new ATOM 0 HB2 LEU A 55 -14.357 6.831 0.524 1.00 0.61 H new ATOM 0 HB3 LEU A 55 -15.596 8.048 0.283 1.00 0.61 H new ATOM 0 HG LEU A 55 -14.715 6.037 -1.810 1.00 0.86 H new ATOM 0 HD11 LEU A 55 -16.881 4.947 -1.365 1.00 1.31 H new ATOM 0 HD12 LEU A 55 -15.832 4.946 0.073 1.00 1.31 H new ATOM 0 HD13 LEU A 55 -17.183 6.099 -0.043 1.00 1.31 H new ATOM 0 HD21 LEU A 55 -16.732 6.771 -3.017 1.00 1.37 H new ATOM 0 HD22 LEU A 55 -17.033 7.996 -1.762 1.00 1.37 H new ATOM 0 HD23 LEU A 55 -15.580 8.106 -2.783 1.00 1.37 H new ATOM 763 N SER A 56 -12.369 8.617 1.199 1.00 0.52 N ATOM 764 CA SER A 56 -11.722 9.284 2.324 1.00 0.58 C ATOM 765 C SER A 56 -10.720 10.332 1.835 1.00 0.62 C ATOM 766 O SER A 56 -10.501 11.358 2.482 1.00 1.17 O ATOM 767 CB SER A 56 -11.015 8.255 3.209 1.00 0.56 C ATOM 768 OG SER A 56 -11.908 7.226 3.607 1.00 1.28 O ATOM 0 H SER A 56 -12.129 7.630 1.102 1.00 0.52 H new ATOM 0 HA SER A 56 -12.490 9.791 2.908 1.00 0.58 H new ATOM 0 HB2 SER A 56 -10.174 7.822 2.668 1.00 0.56 H new ATOM 0 HB3 SER A 56 -10.607 8.748 4.091 1.00 0.56 H new ATOM 0 HG SER A 56 -11.430 6.574 4.161 1.00 1.28 H new ATOM 772 N GLY A 57 -10.105 10.052 0.697 1.00 0.48 N ATOM 773 CA GLY A 57 -9.109 10.946 0.145 1.00 0.45 C ATOM 774 C GLY A 57 -7.705 10.434 0.381 1.00 0.35 C ATOM 775 O GLY A 57 -6.760 11.214 0.512 1.00 0.47 O ATOM 0 H GLY A 57 -10.280 9.214 0.142 1.00 0.48 H new ATOM 0 HA2 GLY A 57 -9.278 11.063 -0.925 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -9.217 11.933 0.595 1.00 0.45 H new ATOM 779 N ILE A 58 -7.570 9.117 0.400 1.00 0.36 N ATOM 780 CA ILE A 58 -6.279 8.478 0.586 1.00 0.31 C ATOM 781 C ILE A 58 -5.733 7.991 -0.752 1.00 0.32 C ATOM 782 O ILE A 58 -6.403 7.239 -1.459 1.00 0.33 O ATOM 783 CB ILE A 58 -6.385 7.280 1.557 1.00 0.28 C ATOM 784 CG1 ILE A 58 -7.032 7.715 2.876 1.00 0.30 C ATOM 785 CG2 ILE A 58 -5.011 6.674 1.812 1.00 0.28 C ATOM 786 CD1 ILE A 58 -7.270 6.575 3.845 1.00 0.35 C ATOM 0 H ILE A 58 -8.347 8.466 0.288 1.00 0.36 H new ATOM 0 HA ILE A 58 -5.601 9.218 1.012 1.00 0.31 H new ATOM 0 HB ILE A 58 -7.016 6.519 1.097 1.00 0.28 H new ATOM 0 HG12 ILE A 58 -6.395 8.459 3.354 1.00 0.30 H new ATOM 0 HG13 ILE A 58 -7.984 8.201 2.660 1.00 0.30 H new ATOM 0 HG21 ILE A 58 -5.106 5.832 2.498 1.00 0.28 H new ATOM 0 HG22 ILE A 58 -4.585 6.328 0.870 1.00 0.28 H new ATOM 0 HG23 ILE A 58 -4.357 7.427 2.251 1.00 0.28 H new ATOM 0 HD11 ILE A 58 -7.730 6.961 4.755 1.00 0.35 H new ATOM 0 HD12 ILE A 58 -7.932 5.840 3.387 1.00 0.35 H new ATOM 0 HD13 ILE A 58 -6.319 6.103 4.092 1.00 0.35 H new ATOM 796 N PRO A 59 -4.527 8.440 -1.133 1.00 0.35 N ATOM 797 CA PRO A 59 -3.894 8.040 -2.392 1.00 0.39 C ATOM 798 C PRO A 59 -3.556 6.550 -2.415 1.00 0.36 C ATOM 799 O PRO A 59 -3.065 5.992 -1.424 1.00 0.37 O ATOM 800 CB PRO A 59 -2.612 8.883 -2.448 1.00 0.45 C ATOM 801 CG PRO A 59 -2.798 9.957 -1.428 1.00 0.46 C ATOM 802 CD PRO A 59 -3.684 9.368 -0.370 1.00 0.41 C ATOM 0 HA PRO A 59 -4.553 8.202 -3.245 1.00 0.39 H new ATOM 0 HB2 PRO A 59 -1.734 8.277 -2.225 1.00 0.45 H new ATOM 0 HB3 PRO A 59 -2.463 9.306 -3.441 1.00 0.45 H new ATOM 0 HG2 PRO A 59 -1.841 10.267 -1.008 1.00 0.46 H new ATOM 0 HG3 PRO A 59 -3.254 10.842 -1.871 1.00 0.46 H new ATOM 0 HD2 PRO A 59 -3.108 8.853 0.399 1.00 0.41 H new ATOM 0 HD3 PRO A 59 -4.276 10.132 0.133 1.00 0.41 H new ATOM 804 N VAL A 60 -3.853 5.905 -3.533 1.00 0.36 N ATOM 805 CA VAL A 60 -3.611 4.479 -3.678 1.00 0.33 C ATOM 806 C VAL A 60 -2.609 4.217 -4.794 1.00 0.39 C ATOM 807 O VAL A 60 -2.861 4.545 -5.954 1.00 0.50 O ATOM 808 CB VAL A 60 -4.918 3.713 -3.988 1.00 0.36 C ATOM 809 CG1 VAL A 60 -4.672 2.213 -4.030 1.00 0.36 C ATOM 810 CG2 VAL A 60 -5.997 4.051 -2.971 1.00 0.39 C ATOM 0 H VAL A 60 -4.263 6.349 -4.355 1.00 0.36 H new ATOM 0 HA VAL A 60 -3.209 4.122 -2.730 1.00 0.33 H new ATOM 0 HB VAL A 60 -5.266 4.027 -4.972 1.00 0.36 H new ATOM 0 HG11 VAL A 60 -5.607 1.697 -4.250 1.00 0.36 H new ATOM 0 HG12 VAL A 60 -3.941 1.986 -4.806 1.00 0.36 H new ATOM 0 HG13 VAL A 60 -4.292 1.879 -3.064 1.00 0.36 H new ATOM 0 HG21 VAL A 60 -6.907 3.500 -3.209 1.00 0.39 H new ATOM 0 HG22 VAL A 60 -5.656 3.774 -1.973 1.00 0.39 H new ATOM 0 HG23 VAL A 60 -6.202 5.121 -3.000 1.00 0.39 H new ATOM 820 N TYR A 61 -1.525 3.538 -4.463 1.00 0.35 N ATOM 821 CA TYR A 61 -0.559 3.124 -5.462 1.00 0.41 C ATOM 822 C TYR A 61 -0.776 1.660 -5.813 1.00 0.39 C ATOM 823 O TYR A 61 -0.877 0.808 -4.926 1.00 0.32 O ATOM 824 CB TYR A 61 0.877 3.324 -4.971 1.00 0.46 C ATOM 825 CG TYR A 61 1.911 2.916 -6.000 1.00 0.53 C ATOM 826 CD1 TYR A 61 2.022 3.595 -7.206 1.00 0.63 C ATOM 827 CD2 TYR A 61 2.750 1.831 -5.780 1.00 0.56 C ATOM 828 CE1 TYR A 61 2.938 3.205 -8.163 1.00 0.73 C ATOM 829 CE2 TYR A 61 3.674 1.438 -6.732 1.00 0.65 C ATOM 830 CZ TYR A 61 3.762 2.129 -7.922 1.00 0.72 C ATOM 831 OH TYR A 61 4.669 1.734 -8.883 1.00 0.83 O ATOM 0 H TYR A 61 -1.292 3.262 -3.509 1.00 0.35 H new ATOM 0 HA TYR A 61 -0.706 3.744 -6.346 1.00 0.41 H new ATOM 0 HB2 TYR A 61 1.024 4.372 -4.710 1.00 0.46 H new ATOM 0 HB3 TYR A 61 1.029 2.745 -4.060 1.00 0.46 H new ATOM 0 HD1 TYR A 61 1.381 4.443 -7.399 1.00 0.63 H new ATOM 0 HD2 TYR A 61 2.680 1.285 -4.851 1.00 0.56 H new ATOM 0 HE1 TYR A 61 3.008 3.742 -9.097 1.00 0.73 H new ATOM 0 HE2 TYR A 61 4.322 0.595 -6.544 1.00 0.65 H new ATOM 0 HH TYR A 61 5.175 0.961 -8.557 1.00 0.83 H new ATOM 839 N GLU A 62 -0.837 1.368 -7.099 1.00 0.49 N ATOM 840 CA GLU A 62 -1.003 0.002 -7.544 1.00 0.52 C ATOM 841 C GLU A 62 0.359 -0.620 -7.839 1.00 0.50 C ATOM 842 O GLU A 62 1.111 -0.134 -8.686 1.00 0.59 O ATOM 843 CB GLU A 62 -1.898 -0.051 -8.779 1.00 0.68 C ATOM 844 CG GLU A 62 -2.484 -1.425 -9.037 1.00 1.24 C ATOM 845 CD GLU A 62 -3.338 -1.464 -10.282 1.00 1.83 C ATOM 846 OE1 GLU A 62 -2.792 -1.268 -11.386 1.00 2.35 O ATOM 847 OE2 GLU A 62 -4.563 -1.687 -10.159 1.00 2.47 O ATOM 0 H GLU A 62 -0.774 2.057 -7.849 1.00 0.49 H new ATOM 0 HA GLU A 62 -1.483 -0.571 -6.751 1.00 0.52 H new ATOM 0 HB2 GLU A 62 -2.710 0.666 -8.661 1.00 0.68 H new ATOM 0 HB3 GLU A 62 -1.322 0.260 -9.650 1.00 0.68 H new ATOM 0 HG2 GLU A 62 -1.675 -2.150 -9.132 1.00 1.24 H new ATOM 0 HG3 GLU A 62 -3.084 -1.728 -8.179 1.00 1.24 H new ATOM 850 N PHE A 63 0.665 -1.688 -7.128 1.00 0.42 N ATOM 851 CA PHE A 63 1.922 -2.394 -7.286 1.00 0.41 C ATOM 852 C PHE A 63 1.892 -3.258 -8.538 1.00 0.44 C ATOM 853 O PHE A 63 1.051 -4.150 -8.660 1.00 0.42 O ATOM 854 CB PHE A 63 2.171 -3.263 -6.055 1.00 0.41 C ATOM 855 CG PHE A 63 3.444 -4.054 -6.110 1.00 0.39 C ATOM 856 CD1 PHE A 63 4.634 -3.459 -6.492 1.00 0.60 C ATOM 857 CD2 PHE A 63 3.452 -5.393 -5.761 1.00 0.43 C ATOM 858 CE1 PHE A 63 5.807 -4.184 -6.524 1.00 0.67 C ATOM 859 CE2 PHE A 63 4.621 -6.123 -5.796 1.00 0.47 C ATOM 860 CZ PHE A 63 5.801 -5.517 -6.174 1.00 0.53 C ATOM 0 H PHE A 63 0.048 -2.091 -6.423 1.00 0.42 H new ATOM 0 HA PHE A 63 2.729 -1.669 -7.389 1.00 0.41 H new ATOM 0 HB2 PHE A 63 2.190 -2.625 -5.171 1.00 0.41 H new ATOM 0 HB3 PHE A 63 1.334 -3.950 -5.934 1.00 0.41 H new ATOM 0 HD1 PHE A 63 4.644 -2.415 -6.768 1.00 0.60 H new ATOM 0 HD2 PHE A 63 2.532 -5.871 -5.458 1.00 0.43 H new ATOM 0 HE1 PHE A 63 6.729 -3.708 -6.823 1.00 0.67 H new ATOM 0 HE2 PHE A 63 4.613 -7.169 -5.528 1.00 0.47 H new ATOM 0 HZ PHE A 63 6.719 -6.086 -6.196 1.00 0.53 H new ATOM 868 N GLU A 64 2.850 -3.037 -9.429 1.00 0.61 N ATOM 869 CA GLU A 64 2.976 -3.842 -10.639 1.00 0.70 C ATOM 870 C GLU A 64 3.594 -5.200 -10.323 1.00 0.62 C ATOM 871 O GLU A 64 4.683 -5.522 -10.793 1.00 0.89 O ATOM 872 CB GLU A 64 3.816 -3.124 -11.696 1.00 0.97 C ATOM 873 CG GLU A 64 3.123 -1.925 -12.314 1.00 1.61 C ATOM 874 CD GLU A 64 3.811 -1.446 -13.573 1.00 1.90 C ATOM 875 OE1 GLU A 64 4.033 -2.271 -14.485 1.00 2.46 O ATOM 876 OE2 GLU A 64 4.105 -0.240 -13.676 1.00 2.08 O ATOM 0 H GLU A 64 3.554 -2.305 -9.337 1.00 0.61 H new ATOM 0 HA GLU A 64 1.973 -3.993 -11.038 1.00 0.70 H new ATOM 0 HB2 GLU A 64 4.752 -2.798 -11.243 1.00 0.97 H new ATOM 0 HB3 GLU A 64 4.073 -3.831 -12.485 1.00 0.97 H new ATOM 0 HG2 GLU A 64 2.090 -2.185 -12.544 1.00 1.61 H new ATOM 0 HG3 GLU A 64 3.093 -1.112 -11.588 1.00 1.61 H new ATOM 879 N GLY A 65 2.930 -5.958 -9.470 1.00 0.62 N ATOM 880 CA GLY A 65 3.450 -7.235 -9.054 1.00 0.64 C ATOM 881 C GLY A 65 2.466 -7.990 -8.197 1.00 0.62 C ATOM 882 O GLY A 65 1.489 -7.417 -7.708 1.00 0.82 O ATOM 0 H GLY A 65 2.032 -5.707 -9.056 1.00 0.62 H new ATOM 0 HA2 GLY A 65 3.697 -7.830 -9.933 1.00 0.64 H new ATOM 0 HA3 GLY A 65 4.376 -7.087 -8.499 1.00 0.64 H new ATOM 886 N THR A 66 2.710 -9.275 -8.038 1.00 0.63 N ATOM 887 CA THR A 66 1.858 -10.127 -7.231 1.00 0.67 C ATOM 888 C THR A 66 2.148 -9.926 -5.743 1.00 0.60 C ATOM 889 O THR A 66 3.186 -9.367 -5.370 1.00 0.56 O ATOM 890 CB THR A 66 2.025 -11.620 -7.610 1.00 0.83 C ATOM 891 OG1 THR A 66 1.100 -12.424 -6.868 1.00 1.53 O ATOM 892 CG2 THR A 66 3.443 -12.104 -7.348 1.00 1.42 C ATOM 0 H THR A 66 3.502 -9.758 -8.463 1.00 0.63 H new ATOM 0 HA THR A 66 0.825 -9.841 -7.432 1.00 0.67 H new ATOM 0 HB THR A 66 1.821 -11.716 -8.676 1.00 0.83 H new ATOM 0 HG1 THR A 66 1.213 -13.365 -7.116 1.00 1.53 H new ATOM 0 HG21 THR A 66 3.526 -13.155 -7.625 1.00 1.42 H new ATOM 0 HG22 THR A 66 4.143 -11.516 -7.941 1.00 1.42 H new ATOM 0 HG23 THR A 66 3.677 -11.988 -6.290 1.00 1.42 H new ATOM 900 N SER A 67 1.227 -10.382 -4.907 1.00 0.61 N ATOM 901 CA SER A 67 1.356 -10.265 -3.462 1.00 0.58 C ATOM 902 C SER A 67 2.626 -10.956 -2.965 1.00 0.56 C ATOM 903 O SER A 67 3.268 -10.490 -2.023 1.00 0.54 O ATOM 904 CB SER A 67 0.123 -10.868 -2.794 1.00 0.67 C ATOM 905 OG SER A 67 -1.064 -10.280 -3.306 1.00 1.25 O ATOM 0 H SER A 67 0.370 -10.843 -5.211 1.00 0.61 H new ATOM 0 HA SER A 67 1.431 -9.210 -3.200 1.00 0.58 H new ATOM 0 HB2 SER A 67 0.103 -11.945 -2.961 1.00 0.67 H new ATOM 0 HB3 SER A 67 0.175 -10.714 -1.716 1.00 0.67 H new ATOM 0 HG SER A 67 -1.843 -10.680 -2.867 1.00 1.25 H new ATOM 909 N VAL A 68 3.003 -12.046 -3.633 1.00 0.64 N ATOM 910 CA VAL A 68 4.225 -12.772 -3.296 1.00 0.67 C ATOM 911 C VAL A 68 5.446 -11.861 -3.434 1.00 0.58 C ATOM 912 O VAL A 68 6.282 -11.774 -2.530 1.00 0.59 O ATOM 913 CB VAL A 68 4.422 -14.002 -4.207 1.00 0.79 C ATOM 914 CG1 VAL A 68 5.546 -14.884 -3.685 1.00 0.84 C ATOM 915 CG2 VAL A 68 3.132 -14.795 -4.333 1.00 0.97 C ATOM 0 H VAL A 68 2.478 -12.445 -4.411 1.00 0.64 H new ATOM 0 HA VAL A 68 4.124 -13.107 -2.264 1.00 0.67 H new ATOM 0 HB VAL A 68 4.699 -13.646 -5.199 1.00 0.79 H new ATOM 0 HG11 VAL A 68 5.668 -15.745 -4.342 1.00 0.84 H new ATOM 0 HG12 VAL A 68 6.474 -14.313 -3.659 1.00 0.84 H new ATOM 0 HG13 VAL A 68 5.303 -15.227 -2.679 1.00 0.84 H new ATOM 0 HG21 VAL A 68 3.296 -15.657 -4.980 1.00 0.97 H new ATOM 0 HG22 VAL A 68 2.817 -15.136 -3.347 1.00 0.97 H new ATOM 0 HG23 VAL A 68 2.356 -14.162 -4.763 1.00 0.97 H new ATOM 925 N GLU A 69 5.508 -11.149 -4.553 1.00 0.57 N ATOM 926 CA GLU A 69 6.595 -10.218 -4.822 1.00 0.55 C ATOM 927 C GLU A 69 6.586 -9.067 -3.828 1.00 0.48 C ATOM 928 O GLU A 69 7.636 -8.664 -3.330 1.00 0.52 O ATOM 929 CB GLU A 69 6.494 -9.677 -6.249 1.00 0.65 C ATOM 930 CG GLU A 69 6.835 -10.708 -7.310 1.00 1.35 C ATOM 931 CD GLU A 69 8.327 -10.958 -7.425 1.00 1.73 C ATOM 932 OE1 GLU A 69 8.990 -11.151 -6.383 1.00 2.65 O ATOM 933 OE2 GLU A 69 8.836 -11.000 -8.565 1.00 1.82 O ATOM 0 H GLU A 69 4.810 -11.201 -5.295 1.00 0.57 H new ATOM 0 HA GLU A 69 7.535 -10.759 -4.713 1.00 0.55 H new ATOM 0 HB2 GLU A 69 5.482 -9.311 -6.420 1.00 0.65 H new ATOM 0 HB3 GLU A 69 7.163 -8.823 -6.354 1.00 0.65 H new ATOM 0 HG2 GLU A 69 6.331 -11.645 -7.075 1.00 1.35 H new ATOM 0 HG3 GLU A 69 6.452 -10.372 -8.274 1.00 1.35 H new ATOM 936 N LEU A 70 5.398 -8.547 -3.546 1.00 0.44 N ATOM 937 CA LEU A 70 5.253 -7.432 -2.617 1.00 0.41 C ATOM 938 C LEU A 70 5.751 -7.816 -1.225 1.00 0.48 C ATOM 939 O LEU A 70 6.523 -7.080 -0.610 1.00 0.56 O ATOM 940 CB LEU A 70 3.791 -6.984 -2.549 1.00 0.41 C ATOM 941 CG LEU A 70 3.539 -5.703 -1.752 1.00 0.38 C ATOM 942 CD1 LEU A 70 4.245 -4.521 -2.398 1.00 0.41 C ATOM 943 CD2 LEU A 70 2.046 -5.435 -1.633 1.00 0.43 C ATOM 0 H LEU A 70 4.521 -8.879 -3.947 1.00 0.44 H new ATOM 0 HA LEU A 70 5.860 -6.604 -2.982 1.00 0.41 H new ATOM 0 HB2 LEU A 70 3.425 -6.839 -3.565 1.00 0.41 H new ATOM 0 HB3 LEU A 70 3.201 -7.788 -2.109 1.00 0.41 H new ATOM 0 HG LEU A 70 3.946 -5.837 -0.750 1.00 0.38 H new ATOM 0 HD11 LEU A 70 4.053 -3.620 -1.816 1.00 0.41 H new ATOM 0 HD12 LEU A 70 5.318 -4.711 -2.430 1.00 0.41 H new ATOM 0 HD13 LEU A 70 3.871 -4.384 -3.413 1.00 0.41 H new ATOM 0 HD21 LEU A 70 1.885 -4.520 -1.063 1.00 0.43 H new ATOM 0 HD22 LEU A 70 1.616 -5.323 -2.628 1.00 0.43 H new ATOM 0 HD23 LEU A 70 1.566 -6.270 -1.122 1.00 0.43 H new ATOM 953 N GLY A 71 5.346 -8.995 -0.762 1.00 0.54 N ATOM 954 CA GLY A 71 5.784 -9.479 0.534 1.00 0.68 C ATOM 955 C GLY A 71 7.284 -9.683 0.594 1.00 0.71 C ATOM 956 O GLY A 71 7.943 -9.225 1.529 1.00 0.84 O ATOM 0 H GLY A 71 4.720 -9.625 -1.264 1.00 0.54 H new ATOM 0 HA2 GLY A 71 5.485 -8.769 1.305 1.00 0.68 H new ATOM 0 HA3 GLY A 71 5.282 -10.421 0.756 1.00 0.68 H new ATOM 960 N THR A 72 7.830 -10.324 -0.432 1.00 0.65 N ATOM 961 CA THR A 72 9.268 -10.553 -0.518 1.00 0.75 C ATOM 962 C THR A 72 10.031 -9.227 -0.551 1.00 0.75 C ATOM 963 O THR A 72 11.098 -9.095 0.055 1.00 0.88 O ATOM 964 CB THR A 72 9.617 -11.389 -1.767 1.00 0.80 C ATOM 965 OG1 THR A 72 8.854 -12.604 -1.763 1.00 1.46 O ATOM 966 CG2 THR A 72 11.102 -11.722 -1.811 1.00 1.12 C ATOM 0 H THR A 72 7.297 -10.696 -1.219 1.00 0.65 H new ATOM 0 HA THR A 72 9.569 -11.108 0.371 1.00 0.75 H new ATOM 0 HB THR A 72 9.372 -10.799 -2.650 1.00 0.80 H new ATOM 0 HG1 THR A 72 7.932 -12.412 -2.036 1.00 1.46 H new ATOM 0 HG21 THR A 72 11.316 -12.312 -2.702 1.00 1.12 H new ATOM 0 HG22 THR A 72 11.681 -10.799 -1.838 1.00 1.12 H new ATOM 0 HG23 THR A 72 11.373 -12.294 -0.924 1.00 1.12 H new ATOM 974 N LEU A 73 9.449 -8.235 -1.216 1.00 0.65 N ATOM 975 CA LEU A 73 10.041 -6.909 -1.289 1.00 0.73 C ATOM 976 C LEU A 73 10.053 -6.255 0.089 1.00 0.84 C ATOM 977 O LEU A 73 11.064 -5.690 0.505 1.00 0.97 O ATOM 978 CB LEU A 73 9.274 -6.040 -2.287 1.00 0.71 C ATOM 979 CG LEU A 73 9.883 -4.665 -2.554 1.00 0.91 C ATOM 980 CD1 LEU A 73 11.304 -4.802 -3.073 1.00 1.51 C ATOM 981 CD2 LEU A 73 9.030 -3.891 -3.545 1.00 1.47 C ATOM 0 H LEU A 73 8.563 -8.327 -1.714 1.00 0.65 H new ATOM 0 HA LEU A 73 11.071 -7.006 -1.633 1.00 0.73 H new ATOM 0 HB2 LEU A 73 9.202 -6.578 -3.232 1.00 0.71 H new ATOM 0 HB3 LEU A 73 8.257 -5.904 -1.919 1.00 0.71 H new ATOM 0 HG LEU A 73 9.911 -4.113 -1.614 1.00 0.91 H new ATOM 0 HD11 LEU A 73 11.721 -3.812 -3.257 1.00 1.51 H new ATOM 0 HD12 LEU A 73 11.913 -5.320 -2.333 1.00 1.51 H new ATOM 0 HD13 LEU A 73 11.299 -5.372 -4.002 1.00 1.51 H new ATOM 0 HD21 LEU A 73 9.478 -2.913 -3.725 1.00 1.47 H new ATOM 0 HD22 LEU A 73 8.973 -4.442 -4.484 1.00 1.47 H new ATOM 0 HD23 LEU A 73 8.027 -3.762 -3.138 1.00 1.47 H new ATOM 991 N LEU A 74 8.951 -6.403 0.819 1.00 0.84 N ATOM 992 CA LEU A 74 8.859 -5.898 2.185 1.00 1.03 C ATOM 993 C LEU A 74 9.900 -6.569 3.073 1.00 1.24 C ATOM 994 O LEU A 74 10.696 -5.904 3.734 1.00 1.47 O ATOM 995 CB LEU A 74 7.464 -6.167 2.757 1.00 1.01 C ATOM 996 CG LEU A 74 6.321 -5.381 2.115 1.00 0.93 C ATOM 997 CD1 LEU A 74 4.983 -5.960 2.539 1.00 1.79 C ATOM 998 CD2 LEU A 74 6.403 -3.911 2.494 1.00 1.14 C ATOM 0 H LEU A 74 8.107 -6.870 0.486 1.00 0.84 H new ATOM 0 HA LEU A 74 9.043 -4.824 2.163 1.00 1.03 H new ATOM 0 HB2 LEU A 74 7.250 -7.231 2.657 1.00 1.01 H new ATOM 0 HB3 LEU A 74 7.480 -5.944 3.824 1.00 1.01 H new ATOM 0 HG LEU A 74 6.412 -5.462 1.032 1.00 0.93 H new ATOM 0 HD11 LEU A 74 4.177 -5.391 2.075 1.00 1.79 H new ATOM 0 HD12 LEU A 74 4.921 -7.001 2.223 1.00 1.79 H new ATOM 0 HD13 LEU A 74 4.889 -5.903 3.623 1.00 1.79 H new ATOM 0 HD21 LEU A 74 5.581 -3.369 2.027 1.00 1.14 H new ATOM 0 HD22 LEU A 74 6.336 -3.810 3.577 1.00 1.14 H new ATOM 0 HD23 LEU A 74 7.351 -3.499 2.150 1.00 1.14 H new ATOM 1008 N GLY A 75 9.882 -7.891 3.079 1.00 1.24 N ATOM 1009 CA GLY A 75 10.808 -8.649 3.889 1.00 1.50 C ATOM 1010 C GLY A 75 10.146 -9.871 4.483 1.00 1.63 C ATOM 1011 O GLY A 75 10.642 -10.989 4.341 1.00 2.22 O ATOM 0 H GLY A 75 9.235 -8.458 2.531 1.00 1.24 H new ATOM 0 HA2 GLY A 75 11.660 -8.954 3.282 1.00 1.50 H new ATOM 0 HA3 GLY A 75 11.196 -8.018 4.689 1.00 1.50 H new ATOM 1015 N ARG A 76 8.976 -9.663 5.071 1.00 1.47 N ATOM 1016 CA ARG A 76 8.189 -10.752 5.629 1.00 1.63 C ATOM 1017 C ARG A 76 7.666 -11.629 4.495 1.00 1.48 C ATOM 1018 O ARG A 76 7.080 -11.124 3.541 1.00 1.41 O ATOM 1019 CB ARG A 76 7.024 -10.180 6.443 1.00 1.84 C ATOM 1020 CG ARG A 76 6.371 -11.176 7.386 1.00 1.98 C ATOM 1021 CD ARG A 76 5.197 -10.548 8.117 1.00 2.35 C ATOM 1022 NE ARG A 76 4.664 -11.418 9.167 1.00 3.01 N ATOM 1023 CZ ARG A 76 3.540 -11.169 9.843 1.00 3.50 C ATOM 1024 NH1 ARG A 76 2.818 -10.087 9.570 1.00 3.60 N ATOM 1025 NH2 ARG A 76 3.145 -12.004 10.795 1.00 4.36 N ATOM 0 H ARG A 76 8.549 -8.742 5.174 1.00 1.47 H new ATOM 0 HA ARG A 76 8.811 -11.358 6.288 1.00 1.63 H new ATOM 0 HB2 ARG A 76 7.384 -9.331 7.023 1.00 1.84 H new ATOM 0 HB3 ARG A 76 6.269 -9.799 5.756 1.00 1.84 H new ATOM 0 HG2 ARG A 76 6.030 -12.045 6.823 1.00 1.98 H new ATOM 0 HG3 ARG A 76 7.105 -11.532 8.109 1.00 1.98 H new ATOM 0 HD2 ARG A 76 5.511 -9.602 8.557 1.00 2.35 H new ATOM 0 HD3 ARG A 76 4.407 -10.320 7.402 1.00 2.35 H new ATOM 0 HE ARG A 76 5.183 -12.266 9.396 1.00 3.01 H new ATOM 0 HH11 ARG A 76 3.122 -9.442 8.841 1.00 3.60 H new ATOM 0 HH12 ARG A 76 1.960 -9.902 10.090 1.00 3.60 H new ATOM 0 HH21 ARG A 76 3.699 -12.833 11.008 1.00 4.36 H new ATOM 0 HH22 ARG A 76 2.287 -11.817 11.314 1.00 4.36 H new ATOM 1033 N PRO A 77 7.906 -12.949 4.559 1.00 1.57 N ATOM 1034 CA PRO A 77 7.527 -13.880 3.488 1.00 1.60 C ATOM 1035 C PRO A 77 6.030 -14.171 3.455 1.00 1.55 C ATOM 1036 O PRO A 77 5.603 -15.294 3.188 1.00 1.73 O ATOM 1037 CB PRO A 77 8.320 -15.145 3.817 1.00 1.89 C ATOM 1038 CG PRO A 77 8.554 -15.085 5.287 1.00 1.91 C ATOM 1039 CD PRO A 77 8.631 -13.625 5.649 1.00 1.81 C ATOM 0 HA PRO A 77 7.746 -13.469 2.502 1.00 1.60 H new ATOM 0 HB2 PRO A 77 7.764 -16.041 3.543 1.00 1.89 H new ATOM 0 HB3 PRO A 77 9.262 -15.174 3.269 1.00 1.89 H new ATOM 0 HG2 PRO A 77 7.746 -15.577 5.829 1.00 1.91 H new ATOM 0 HG3 PRO A 77 9.477 -15.600 5.554 1.00 1.91 H new ATOM 0 HD2 PRO A 77 8.170 -13.429 6.617 1.00 1.81 H new ATOM 0 HD3 PRO A 77 9.664 -13.284 5.713 1.00 1.81 H new ATOM 1041 N HIS A 78 5.239 -13.129 3.636 1.00 1.55 N ATOM 1042 CA HIS A 78 3.795 -13.238 3.542 1.00 1.56 C ATOM 1043 C HIS A 78 3.305 -12.617 2.248 1.00 1.37 C ATOM 1044 O HIS A 78 3.819 -11.588 1.810 1.00 1.90 O ATOM 1045 CB HIS A 78 3.105 -12.570 4.732 1.00 1.86 C ATOM 1046 CG HIS A 78 3.192 -13.358 6.004 1.00 1.97 C ATOM 1047 ND1 HIS A 78 2.349 -13.147 7.071 1.00 2.84 N ATOM 1048 CD2 HIS A 78 4.025 -14.359 6.378 1.00 1.78 C ATOM 1049 CE1 HIS A 78 2.653 -13.986 8.042 1.00 3.13 C ATOM 1050 NE2 HIS A 78 3.667 -14.732 7.647 1.00 2.47 N ATOM 0 H HIS A 78 5.576 -12.191 3.851 1.00 1.55 H new ATOM 0 HA HIS A 78 3.541 -14.298 3.554 1.00 1.56 H new ATOM 0 HB2 HIS A 78 3.550 -11.588 4.893 1.00 1.86 H new ATOM 0 HB3 HIS A 78 2.055 -12.408 4.487 1.00 1.86 H new ATOM 0 HD2 HIS A 78 4.822 -14.784 5.786 1.00 1.78 H new ATOM 0 HE1 HIS A 78 2.156 -14.051 8.999 1.00 3.13 H new ATOM 0 HE2 HIS A 78 4.112 -15.467 8.197 1.00 2.47 H new ATOM 1057 N THR A 79 2.308 -13.239 1.646 1.00 1.02 N ATOM 1058 CA THR A 79 1.728 -12.738 0.415 1.00 0.90 C ATOM 1059 C THR A 79 0.813 -11.546 0.689 1.00 0.80 C ATOM 1060 O THR A 79 -0.401 -11.698 0.830 1.00 1.06 O ATOM 1061 CB THR A 79 0.950 -13.849 -0.315 1.00 1.08 C ATOM 1062 OG1 THR A 79 0.112 -14.555 0.611 1.00 1.25 O ATOM 1063 CG2 THR A 79 1.904 -14.825 -0.983 1.00 1.21 C ATOM 0 H THR A 79 1.881 -14.098 1.993 1.00 1.02 H new ATOM 0 HA THR A 79 2.544 -12.406 -0.227 1.00 0.90 H new ATOM 0 HB THR A 79 0.331 -13.383 -1.082 1.00 1.08 H new ATOM 0 HG1 THR A 79 -0.440 -13.915 1.107 1.00 1.25 H new ATOM 0 HG21 THR A 79 1.333 -15.601 -1.492 1.00 1.21 H new ATOM 0 HG22 THR A 79 2.520 -14.293 -1.708 1.00 1.21 H new ATOM 0 HG23 THR A 79 2.544 -15.282 -0.228 1.00 1.21 H new ATOM 1071 N VAL A 80 1.414 -10.381 0.883 1.00 0.65 N ATOM 1072 CA VAL A 80 0.656 -9.187 1.225 1.00 0.55 C ATOM 1073 C VAL A 80 -0.154 -8.703 0.025 1.00 0.48 C ATOM 1074 O VAL A 80 0.400 -8.394 -1.031 1.00 0.56 O ATOM 1075 CB VAL A 80 1.586 -8.059 1.721 1.00 0.62 C ATOM 1076 CG1 VAL A 80 0.796 -6.803 2.059 1.00 1.16 C ATOM 1077 CG2 VAL A 80 2.384 -8.524 2.928 1.00 1.24 C ATOM 0 H VAL A 80 2.421 -10.237 0.810 1.00 0.65 H new ATOM 0 HA VAL A 80 -0.028 -9.449 2.032 1.00 0.55 H new ATOM 0 HB VAL A 80 2.278 -7.814 0.915 1.00 0.62 H new ATOM 0 HG11 VAL A 80 1.478 -6.026 2.405 1.00 1.16 H new ATOM 0 HG12 VAL A 80 0.270 -6.454 1.170 1.00 1.16 H new ATOM 0 HG13 VAL A 80 0.074 -7.028 2.844 1.00 1.16 H new ATOM 0 HG21 VAL A 80 3.035 -7.718 3.266 1.00 1.24 H new ATOM 0 HG22 VAL A 80 1.701 -8.800 3.731 1.00 1.24 H new ATOM 0 HG23 VAL A 80 2.989 -9.388 2.653 1.00 1.24 H new ATOM 1087 N SER A 81 -1.466 -8.694 0.180 1.00 0.42 N ATOM 1088 CA SER A 81 -2.365 -8.309 -0.896 1.00 0.47 C ATOM 1089 C SER A 81 -2.458 -6.794 -0.997 1.00 0.38 C ATOM 1090 O SER A 81 -2.489 -6.224 -2.093 1.00 0.39 O ATOM 1091 CB SER A 81 -3.747 -8.905 -0.637 1.00 0.55 C ATOM 1092 OG SER A 81 -3.637 -10.249 -0.194 1.00 1.18 O ATOM 0 H SER A 81 -1.937 -8.951 1.048 1.00 0.42 H new ATOM 0 HA SER A 81 -1.976 -8.691 -1.840 1.00 0.47 H new ATOM 0 HB2 SER A 81 -4.270 -8.311 0.112 1.00 0.55 H new ATOM 0 HB3 SER A 81 -4.343 -8.865 -1.549 1.00 0.55 H new ATOM 0 HG SER A 81 -4.532 -10.614 -0.031 1.00 1.18 H new ATOM 1096 N ALA A 82 -2.489 -6.155 0.162 1.00 0.32 N ATOM 1097 CA ALA A 82 -2.600 -4.712 0.253 1.00 0.30 C ATOM 1098 C ALA A 82 -2.007 -4.235 1.569 1.00 0.30 C ATOM 1099 O ALA A 82 -1.968 -4.987 2.546 1.00 0.34 O ATOM 1100 CB ALA A 82 -4.056 -4.284 0.139 1.00 0.33 C ATOM 0 H ALA A 82 -2.438 -6.625 1.066 1.00 0.32 H new ATOM 0 HA ALA A 82 -2.046 -4.260 -0.570 1.00 0.30 H new ATOM 0 HB1 ALA A 82 -4.123 -3.198 0.209 1.00 0.33 H new ATOM 0 HB2 ALA A 82 -4.457 -4.611 -0.820 1.00 0.33 H new ATOM 0 HB3 ALA A 82 -4.632 -4.736 0.946 1.00 0.33 H new ATOM 1106 N LEU A 83 -1.481 -3.024 1.574 1.00 0.29 N ATOM 1107 CA LEU A 83 -0.843 -2.476 2.760 1.00 0.31 C ATOM 1108 C LEU A 83 -1.040 -0.968 2.826 1.00 0.28 C ATOM 1109 O LEU A 83 -1.193 -0.306 1.799 1.00 0.30 O ATOM 1110 CB LEU A 83 0.651 -2.840 2.787 1.00 0.37 C ATOM 1111 CG LEU A 83 1.458 -2.492 1.528 1.00 0.44 C ATOM 1112 CD1 LEU A 83 1.892 -1.034 1.538 1.00 0.88 C ATOM 1113 CD2 LEU A 83 2.670 -3.399 1.410 1.00 0.83 C ATOM 0 H LEU A 83 -1.482 -2.398 0.768 1.00 0.29 H new ATOM 0 HA LEU A 83 -1.313 -2.915 3.640 1.00 0.31 H new ATOM 0 HB2 LEU A 83 1.110 -2.337 3.638 1.00 0.37 H new ATOM 0 HB3 LEU A 83 0.739 -3.912 2.965 1.00 0.37 H new ATOM 0 HG LEU A 83 0.813 -2.647 0.663 1.00 0.44 H new ATOM 0 HD11 LEU A 83 2.461 -0.818 0.634 1.00 0.88 H new ATOM 0 HD12 LEU A 83 1.012 -0.393 1.575 1.00 0.88 H new ATOM 0 HD13 LEU A 83 2.515 -0.846 2.413 1.00 0.88 H new ATOM 0 HD21 LEU A 83 3.232 -3.140 0.513 1.00 0.83 H new ATOM 0 HD22 LEU A 83 3.306 -3.272 2.286 1.00 0.83 H new ATOM 0 HD23 LEU A 83 2.343 -4.437 1.347 1.00 0.83 H new ATOM 1123 N ALA A 84 -1.100 -0.442 4.037 1.00 0.28 N ATOM 1124 CA ALA A 84 -1.316 0.979 4.232 1.00 0.29 C ATOM 1125 C ALA A 84 -0.155 1.609 4.992 1.00 0.30 C ATOM 1126 O ALA A 84 0.082 1.296 6.159 1.00 0.34 O ATOM 1127 CB ALA A 84 -2.626 1.217 4.969 1.00 0.35 C ATOM 0 H ALA A 84 -1.002 -0.978 4.899 1.00 0.28 H new ATOM 0 HA ALA A 84 -1.374 1.452 3.252 1.00 0.29 H new ATOM 0 HB1 ALA A 84 -2.776 2.288 5.109 1.00 0.35 H new ATOM 0 HB2 ALA A 84 -3.451 0.808 4.386 1.00 0.35 H new ATOM 0 HB3 ALA A 84 -2.591 0.726 5.941 1.00 0.35 H new ATOM 1133 N VAL A 85 0.541 2.523 4.334 1.00 0.35 N ATOM 1134 CA VAL A 85 1.628 3.258 4.952 1.00 0.42 C ATOM 1135 C VAL A 85 1.064 4.380 5.817 1.00 0.41 C ATOM 1136 O VAL A 85 0.273 5.206 5.340 1.00 0.46 O ATOM 1137 CB VAL A 85 2.584 3.860 3.901 1.00 0.53 C ATOM 1138 CG1 VAL A 85 3.816 4.447 4.574 1.00 0.69 C ATOM 1139 CG2 VAL A 85 2.977 2.818 2.863 1.00 1.05 C ATOM 0 H VAL A 85 0.368 2.774 3.361 1.00 0.35 H new ATOM 0 HA VAL A 85 2.194 2.556 5.564 1.00 0.42 H new ATOM 0 HB VAL A 85 2.060 4.665 3.385 1.00 0.53 H new ATOM 0 HG11 VAL A 85 4.479 4.867 3.817 1.00 0.69 H new ATOM 0 HG12 VAL A 85 3.513 5.232 5.267 1.00 0.69 H new ATOM 0 HG13 VAL A 85 4.340 3.663 5.121 1.00 0.69 H new ATOM 0 HG21 VAL A 85 3.651 3.267 2.134 1.00 1.05 H new ATOM 0 HG22 VAL A 85 3.478 1.985 3.356 1.00 1.05 H new ATOM 0 HG23 VAL A 85 2.083 2.455 2.356 1.00 1.05 H new ATOM 1149 N VAL A 86 1.406 4.348 7.096 1.00 0.44 N ATOM 1150 CA VAL A 86 0.880 5.304 8.061 1.00 0.46 C ATOM 1151 C VAL A 86 1.818 6.495 8.231 1.00 0.47 C ATOM 1152 O VAL A 86 1.372 7.640 8.301 1.00 0.54 O ATOM 1153 CB VAL A 86 0.649 4.646 9.440 1.00 0.48 C ATOM 1154 CG1 VAL A 86 -0.036 5.613 10.397 1.00 0.53 C ATOM 1155 CG2 VAL A 86 -0.162 3.365 9.294 1.00 0.53 C ATOM 0 H VAL A 86 2.051 3.665 7.493 1.00 0.44 H new ATOM 0 HA VAL A 86 -0.075 5.652 7.667 1.00 0.46 H new ATOM 0 HB VAL A 86 1.621 4.390 9.860 1.00 0.48 H new ATOM 0 HG11 VAL A 86 -0.187 5.126 11.360 1.00 0.53 H new ATOM 0 HG12 VAL A 86 0.589 6.496 10.531 1.00 0.53 H new ATOM 0 HG13 VAL A 86 -1.001 5.910 9.985 1.00 0.53 H new ATOM 0 HG21 VAL A 86 -0.314 2.917 10.276 1.00 0.53 H new ATOM 0 HG22 VAL A 86 -1.129 3.596 8.847 1.00 0.53 H new ATOM 0 HG23 VAL A 86 0.376 2.665 8.655 1.00 0.53 H new ATOM 1165 N ASP A 87 3.114 6.219 8.337 1.00 0.49 N ATOM 1166 CA ASP A 87 4.104 7.270 8.578 1.00 0.60 C ATOM 1167 C ASP A 87 5.116 7.366 7.437 1.00 0.47 C ATOM 1168 O ASP A 87 6.261 6.931 7.570 1.00 0.62 O ATOM 1169 CB ASP A 87 4.842 7.023 9.901 1.00 0.83 C ATOM 1170 CG ASP A 87 3.948 7.185 11.116 1.00 1.50 C ATOM 1171 OD1 ASP A 87 3.401 8.288 11.315 1.00 1.94 O ATOM 1172 OD2 ASP A 87 3.800 6.213 11.888 1.00 2.15 O ATOM 0 H ASP A 87 3.505 5.280 8.260 1.00 0.49 H new ATOM 0 HA ASP A 87 3.564 8.215 8.635 1.00 0.60 H new ATOM 0 HB2 ASP A 87 5.260 6.016 9.895 1.00 0.83 H new ATOM 0 HB3 ASP A 87 5.680 7.716 9.978 1.00 0.83 H new ATOM 1175 N PRO A 88 4.717 7.939 6.291 1.00 0.45 N ATOM 1176 CA PRO A 88 5.579 8.102 5.131 1.00 0.54 C ATOM 1177 C PRO A 88 6.290 9.453 5.127 1.00 0.93 C ATOM 1178 O PRO A 88 6.241 10.188 4.139 1.00 1.68 O ATOM 1179 CB PRO A 88 4.594 8.013 3.958 1.00 0.69 C ATOM 1180 CG PRO A 88 3.223 8.209 4.543 1.00 0.99 C ATOM 1181 CD PRO A 88 3.395 8.492 6.015 1.00 0.66 C ATOM 0 HA PRO A 88 6.377 7.360 5.099 1.00 0.54 H new ATOM 0 HB2 PRO A 88 4.810 8.776 3.210 1.00 0.69 H new ATOM 0 HB3 PRO A 88 4.670 7.047 3.459 1.00 0.69 H new ATOM 0 HG2 PRO A 88 2.711 9.036 4.051 1.00 0.99 H new ATOM 0 HG3 PRO A 88 2.611 7.320 4.392 1.00 0.99 H new ATOM 0 HD2 PRO A 88 3.349 9.559 6.231 1.00 0.66 H new ATOM 0 HD3 PRO A 88 2.621 8.012 6.614 1.00 0.66 H new ATOM 1183 N GLY A 89 6.877 9.811 6.260 1.00 0.73 N ATOM 1184 CA GLY A 89 7.520 11.105 6.389 1.00 1.09 C ATOM 1185 C GLY A 89 8.743 11.246 5.503 1.00 0.99 C ATOM 1186 O GLY A 89 8.872 12.221 4.763 1.00 1.49 O ATOM 0 H GLY A 89 6.920 9.227 7.095 1.00 0.73 H new ATOM 0 HA2 GLY A 89 6.804 11.888 6.139 1.00 1.09 H new ATOM 0 HA3 GLY A 89 7.810 11.259 7.428 1.00 1.09 H new ATOM 1190 N GLU A 90 9.649 10.282 5.586 1.00 0.73 N ATOM 1191 CA GLU A 90 10.880 10.319 4.809 1.00 0.70 C ATOM 1192 C GLU A 90 10.682 9.648 3.456 1.00 0.68 C ATOM 1193 O GLU A 90 11.226 10.090 2.445 1.00 1.07 O ATOM 1194 CB GLU A 90 12.015 9.636 5.578 1.00 0.95 C ATOM 1195 CG GLU A 90 13.398 9.965 5.044 1.00 1.45 C ATOM 1196 CD GLU A 90 14.505 9.391 5.903 1.00 2.32 C ATOM 1197 OE1 GLU A 90 14.696 8.157 5.895 1.00 3.03 O ATOM 1198 OE2 GLU A 90 15.184 10.170 6.598 1.00 2.82 O ATOM 0 H GLU A 90 9.554 9.462 6.186 1.00 0.73 H new ATOM 0 HA GLU A 90 11.148 11.362 4.640 1.00 0.70 H new ATOM 0 HB2 GLU A 90 11.960 9.930 6.626 1.00 0.95 H new ATOM 0 HB3 GLU A 90 11.868 8.557 5.542 1.00 0.95 H new ATOM 0 HG2 GLU A 90 13.493 9.579 4.029 1.00 1.45 H new ATOM 0 HG3 GLU A 90 13.513 11.047 4.985 1.00 1.45 H new ATOM 1201 N SER A 91 9.938 8.551 3.455 1.00 0.54 N ATOM 1202 CA SER A 91 9.688 7.798 2.236 1.00 0.53 C ATOM 1203 C SER A 91 8.846 8.610 1.259 1.00 0.49 C ATOM 1204 O SER A 91 7.805 9.156 1.630 1.00 0.57 O ATOM 1205 CB SER A 91 8.971 6.499 2.579 1.00 0.65 C ATOM 1206 OG SER A 91 7.795 6.765 3.325 1.00 1.65 O ATOM 0 H SER A 91 9.496 8.162 4.288 1.00 0.54 H new ATOM 0 HA SER A 91 10.644 7.576 1.762 1.00 0.53 H new ATOM 0 HB2 SER A 91 8.716 5.965 1.664 1.00 0.65 H new ATOM 0 HB3 SER A 91 9.634 5.851 3.152 1.00 0.65 H new ATOM 0 HG SER A 91 7.391 7.601 3.012 1.00 1.65 H new ATOM 1210 N ARG A 92 9.281 8.666 0.010 1.00 0.50 N ATOM 1211 CA ARG A 92 8.563 9.408 -1.021 1.00 0.55 C ATOM 1212 C ARG A 92 7.494 8.533 -1.674 1.00 0.53 C ATOM 1213 O ARG A 92 7.161 8.702 -2.845 1.00 0.68 O ATOM 1214 CB ARG A 92 9.550 9.927 -2.070 1.00 0.72 C ATOM 1215 CG ARG A 92 10.729 10.666 -1.463 1.00 1.39 C ATOM 1216 CD ARG A 92 10.272 11.859 -0.645 1.00 2.08 C ATOM 1217 NE ARG A 92 11.277 12.277 0.323 1.00 2.69 N ATOM 1218 CZ ARG A 92 11.115 13.282 1.177 1.00 3.57 C ATOM 1219 NH1 ARG A 92 10.022 14.035 1.129 1.00 4.00 N ATOM 1220 NH2 ARG A 92 12.054 13.536 2.076 1.00 4.45 N ATOM 0 H ARG A 92 10.130 8.206 -0.318 1.00 0.50 H new ATOM 0 HA ARG A 92 8.063 10.258 -0.556 1.00 0.55 H new ATOM 0 HB2 ARG A 92 9.919 9.088 -2.660 1.00 0.72 H new ATOM 0 HB3 ARG A 92 9.026 10.592 -2.756 1.00 0.72 H new ATOM 0 HG2 ARG A 92 11.300 9.986 -0.830 1.00 1.39 H new ATOM 0 HG3 ARG A 92 11.398 11.001 -2.256 1.00 1.39 H new ATOM 0 HD2 ARG A 92 10.045 12.690 -1.313 1.00 2.08 H new ATOM 0 HD3 ARG A 92 9.349 11.608 -0.123 1.00 2.08 H new ATOM 0 HE ARG A 92 12.160 11.767 0.347 1.00 2.69 H new ATOM 0 HH11 ARG A 92 9.301 13.843 0.434 1.00 4.00 H new ATOM 0 HH12 ARG A 92 9.904 14.805 1.787 1.00 4.00 H new ATOM 0 HH21 ARG A 92 12.896 12.961 2.110 1.00 4.45 H new ATOM 0 HH22 ARG A 92 11.935 14.306 2.734 1.00 4.45 H new ATOM 1228 N ILE A 93 6.928 7.628 -0.888 1.00 0.46 N ATOM 1229 CA ILE A 93 5.897 6.721 -1.374 1.00 0.57 C ATOM 1230 C ILE A 93 4.606 7.479 -1.701 1.00 0.61 C ATOM 1231 O ILE A 93 3.853 7.094 -2.597 1.00 0.70 O ATOM 1232 CB ILE A 93 5.616 5.591 -0.350 1.00 0.65 C ATOM 1233 CG1 ILE A 93 4.718 4.519 -0.967 1.00 0.89 C ATOM 1234 CG2 ILE A 93 4.989 6.144 0.922 1.00 0.61 C ATOM 1235 CD1 ILE A 93 5.332 3.844 -2.176 1.00 0.97 C ATOM 0 H ILE A 93 7.167 7.502 0.095 1.00 0.46 H new ATOM 0 HA ILE A 93 6.268 6.264 -2.291 1.00 0.57 H new ATOM 0 HB ILE A 93 6.570 5.136 -0.084 1.00 0.65 H new ATOM 0 HG12 ILE A 93 4.495 3.764 -0.213 1.00 0.89 H new ATOM 0 HG13 ILE A 93 3.769 4.972 -1.255 1.00 0.89 H new ATOM 0 HG21 ILE A 93 4.804 5.328 1.621 1.00 0.61 H new ATOM 0 HG22 ILE A 93 5.667 6.865 1.378 1.00 0.61 H new ATOM 0 HG23 ILE A 93 4.047 6.635 0.679 1.00 0.61 H new ATOM 0 HD11 ILE A 93 4.642 3.095 -2.564 1.00 0.97 H new ATOM 0 HD12 ILE A 93 5.530 4.589 -2.947 1.00 0.97 H new ATOM 0 HD13 ILE A 93 6.266 3.362 -1.888 1.00 0.97 H new ATOM 1245 N LEU A 94 4.396 8.602 -1.018 1.00 0.60 N ATOM 1246 CA LEU A 94 3.230 9.446 -1.260 1.00 0.70 C ATOM 1247 C LEU A 94 3.283 10.063 -2.655 1.00 0.70 C ATOM 1248 O LEU A 94 2.246 10.363 -3.251 1.00 0.78 O ATOM 1249 CB LEU A 94 3.154 10.549 -0.204 1.00 0.85 C ATOM 1250 CG LEU A 94 2.906 10.063 1.224 1.00 0.81 C ATOM 1251 CD1 LEU A 94 3.182 11.178 2.217 1.00 1.63 C ATOM 1252 CD2 LEU A 94 1.478 9.561 1.373 1.00 1.15 C ATOM 0 H LEU A 94 5.021 8.949 -0.290 1.00 0.60 H new ATOM 0 HA LEU A 94 2.338 8.823 -1.195 1.00 0.70 H new ATOM 0 HB2 LEU A 94 4.086 11.113 -0.223 1.00 0.85 H new ATOM 0 HB3 LEU A 94 2.358 11.240 -0.480 1.00 0.85 H new ATOM 0 HG LEU A 94 3.586 9.237 1.432 1.00 0.81 H new ATOM 0 HD11 LEU A 94 3.001 10.817 3.229 1.00 1.63 H new ATOM 0 HD12 LEU A 94 4.220 11.498 2.126 1.00 1.63 H new ATOM 0 HD13 LEU A 94 2.523 12.021 2.010 1.00 1.63 H new ATOM 0 HD21 LEU A 94 1.318 9.219 2.395 1.00 1.15 H new ATOM 0 HD22 LEU A 94 0.783 10.370 1.148 1.00 1.15 H new ATOM 0 HD23 LEU A 94 1.309 8.734 0.683 1.00 1.15 H new ATOM 1262 N ALA A 95 4.491 10.184 -3.196 1.00 0.66 N ATOM 1263 CA ALA A 95 4.686 10.705 -4.542 1.00 0.75 C ATOM 1264 C ALA A 95 4.220 9.697 -5.586 1.00 0.69 C ATOM 1265 O ALA A 95 3.664 10.067 -6.620 1.00 0.78 O ATOM 1266 CB ALA A 95 6.146 11.068 -4.763 1.00 0.86 C ATOM 0 H ALA A 95 5.354 9.926 -2.718 1.00 0.66 H new ATOM 0 HA ALA A 95 4.084 11.607 -4.651 1.00 0.75 H new ATOM 0 HB1 ALA A 95 6.276 11.456 -5.773 1.00 0.86 H new ATOM 0 HB2 ALA A 95 6.445 11.828 -4.041 1.00 0.86 H new ATOM 0 HB3 ALA A 95 6.765 10.181 -4.633 1.00 0.86 H new ATOM 1272 N LEU A 96 4.457 8.420 -5.314 1.00 0.65 N ATOM 1273 CA LEU A 96 4.052 7.362 -6.232 1.00 0.75 C ATOM 1274 C LEU A 96 2.549 7.120 -6.142 1.00 0.80 C ATOM 1275 O LEU A 96 1.900 6.794 -7.137 1.00 0.98 O ATOM 1276 CB LEU A 96 4.803 6.067 -5.915 1.00 1.12 C ATOM 1277 CG LEU A 96 6.318 6.127 -6.100 1.00 0.80 C ATOM 1278 CD1 LEU A 96 6.954 4.820 -5.663 1.00 1.50 C ATOM 1279 CD2 LEU A 96 6.668 6.434 -7.548 1.00 1.57 C ATOM 0 H LEU A 96 4.925 8.092 -4.469 1.00 0.65 H new ATOM 0 HA LEU A 96 4.298 7.678 -7.246 1.00 0.75 H new ATOM 0 HB2 LEU A 96 4.591 5.787 -4.883 1.00 1.12 H new ATOM 0 HB3 LEU A 96 4.408 5.273 -6.549 1.00 1.12 H new ATOM 0 HG LEU A 96 6.712 6.930 -5.476 1.00 0.80 H new ATOM 0 HD11 LEU A 96 8.034 4.877 -5.800 1.00 1.50 H new ATOM 0 HD12 LEU A 96 6.731 4.641 -4.611 1.00 1.50 H new ATOM 0 HD13 LEU A 96 6.555 4.002 -6.263 1.00 1.50 H new ATOM 0 HD21 LEU A 96 7.752 6.473 -7.660 1.00 1.57 H new ATOM 0 HD22 LEU A 96 6.264 5.654 -8.193 1.00 1.57 H new ATOM 0 HD23 LEU A 96 6.240 7.396 -7.830 1.00 1.57 H new ATOM 1289 N GLY A 97 1.997 7.325 -4.952 1.00 0.85 N ATOM 1290 CA GLY A 97 0.573 7.144 -4.750 1.00 1.14 C ATOM 1291 C GLY A 97 -0.242 8.282 -5.331 1.00 1.15 C ATOM 1292 O GLY A 97 -1.199 8.055 -6.067 1.00 1.79 O ATOM 0 H GLY A 97 2.513 7.614 -4.121 1.00 0.85 H new ATOM 0 HA2 GLY A 97 0.260 6.206 -5.208 1.00 1.14 H new ATOM 0 HA3 GLY A 97 0.368 7.062 -3.683 1.00 1.14 H new ATOM 1296 N GLY A 98 0.169 9.509 -5.033 1.00 1.39 N ATOM 1297 CA GLY A 98 -0.508 10.670 -5.576 1.00 2.09 C ATOM 1298 C GLY A 98 -0.249 10.833 -7.059 1.00 2.41 C ATOM 1299 O GLY A 98 0.896 10.756 -7.506 1.00 2.85 O ATOM 0 H GLY A 98 0.960 9.720 -4.424 1.00 1.39 H new ATOM 0 HA2 GLY A 98 -1.580 10.579 -5.403 1.00 2.09 H new ATOM 0 HA3 GLY A 98 -0.175 11.564 -5.049 1.00 2.09 H new ATOM 1303 N LYS A 99 -1.317 10.992 -7.826 1.00 2.77 N ATOM 1304 CA LYS A 99 -1.208 11.107 -9.277 1.00 3.51 C ATOM 1305 C LYS A 99 -0.549 12.424 -9.676 1.00 3.72 C ATOM 1306 O LYS A 99 0.229 12.470 -10.629 1.00 4.18 O ATOM 1307 CB LYS A 99 -2.585 10.971 -9.939 1.00 4.19 C ATOM 1308 CG LYS A 99 -3.023 9.527 -10.167 1.00 4.80 C ATOM 1309 CD LYS A 99 -3.067 8.734 -8.871 1.00 5.32 C ATOM 1310 CE LYS A 99 -3.453 7.287 -9.107 1.00 6.06 C ATOM 1311 NZ LYS A 99 -3.383 6.494 -7.853 1.00 6.70 N ATOM 0 H LYS A 99 -2.271 11.045 -7.470 1.00 2.77 H new ATOM 0 HA LYS A 99 -0.575 10.292 -9.629 1.00 3.51 H new ATOM 0 HB2 LYS A 99 -3.327 11.471 -9.317 1.00 4.19 H new ATOM 0 HB3 LYS A 99 -2.569 11.491 -10.897 1.00 4.19 H new ATOM 0 HG2 LYS A 99 -4.009 9.516 -10.632 1.00 4.80 H new ATOM 0 HG3 LYS A 99 -2.337 9.046 -10.863 1.00 4.80 H new ATOM 0 HD2 LYS A 99 -2.091 8.775 -8.387 1.00 5.32 H new ATOM 0 HD3 LYS A 99 -3.781 9.194 -8.188 1.00 5.32 H new ATOM 0 HE2 LYS A 99 -4.464 7.240 -9.512 1.00 6.06 H new ATOM 0 HE3 LYS A 99 -2.790 6.849 -9.853 1.00 6.06 H new ATOM 0 HZ1 LYS A 99 -3.097 5.519 -8.074 1.00 6.70 H new ATOM 0 HZ2 LYS A 99 -2.686 6.922 -7.210 1.00 6.70 H new ATOM 0 HZ3 LYS A 99 -4.317 6.485 -7.395 1.00 6.70 H new ATOM 1317 N GLU A 100 -0.818 13.472 -8.907 1.00 3.94 N ATOM 1318 CA GLU A 100 -0.227 14.783 -9.145 1.00 4.63 C ATOM 1319 C GLU A 100 -0.351 15.639 -7.892 1.00 5.04 C ATOM 1320 O GLU A 100 0.684 16.131 -7.391 1.00 5.51 O ATOM 1321 CB GLU A 100 -0.915 15.470 -10.333 1.00 5.26 C ATOM 1322 CG GLU A 100 -0.388 16.865 -10.651 1.00 5.92 C ATOM 1323 CD GLU A 100 1.052 16.876 -11.142 1.00 6.62 C ATOM 1324 OE1 GLU A 100 1.702 15.809 -11.155 1.00 7.01 O ATOM 1325 OE2 GLU A 100 1.547 17.963 -11.507 1.00 6.97 O ATOM 1326 OXT GLU A 100 -1.481 15.788 -7.386 1.00 5.28 O ATOM 0 H GLU A 100 -1.448 13.438 -8.106 1.00 3.94 H new ATOM 0 HA GLU A 100 0.829 14.658 -9.385 1.00 4.63 H new ATOM 0 HB2 GLU A 100 -0.799 14.842 -11.216 1.00 5.26 H new ATOM 0 HB3 GLU A 100 -1.983 15.537 -10.128 1.00 5.26 H new ATOM 0 HG2 GLU A 100 -1.025 17.321 -11.409 1.00 5.92 H new ATOM 0 HG3 GLU A 100 -0.463 17.485 -9.758 1.00 5.92 H new TER 1329 GLU A 100