USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 658 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 Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 8 THR OG1 : rot -74:sc= 1.31 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 11:sc= 0.22 USER MOD Single : A 14 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -158:sc= -0.0547 (180deg=-0.597) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.016) USER MOD Single : A 72 MET CE :methyl -167:sc= -0.254 (180deg=-0.72) USER MOD Single : A 74 ASN : amide:sc= 1.43 K(o=1.4,f=-3!) USER MOD Single : A 75 MET CE :methyl 172:sc= -0.199 (180deg=-0.258) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 96:sc= 1.23 USER MOD Single : A 88 TYR OH : rot 144:sc= 1.31 USER MOD Single : A 93 THR OG1 : rot 67:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 2 10.071 4.419 6.686 1.00 1.76 N ATOM 13 CA GLY A 2 8.703 4.107 6.265 1.00 1.50 C ATOM 14 C GLY A 2 7.701 3.958 7.421 1.00 1.40 C ATOM 15 O GLY A 2 6.528 4.281 7.247 1.00 1.25 O ATOM 0 HA2 GLY A 2 8.353 4.894 5.596 1.00 1.50 H new ATOM 0 HA3 GLY A 2 8.715 3.181 5.689 1.00 1.50 H new ATOM 19 N GLU A 3 8.156 3.536 8.607 1.00 1.54 N ATOM 20 CA GLU A 3 7.358 3.447 9.843 1.00 1.43 C ATOM 21 C GLU A 3 6.698 4.789 10.203 1.00 1.21 C ATOM 22 O GLU A 3 5.509 4.837 10.518 1.00 1.17 O ATOM 23 CB GLU A 3 8.286 3.009 10.994 1.00 1.55 C ATOM 24 CG GLU A 3 7.568 2.661 12.311 1.00 1.95 C ATOM 25 CD GLU A 3 6.784 1.342 12.267 1.00 3.81 C ATOM 26 OE1 GLU A 3 7.147 0.446 11.472 1.00 4.86 O ATOM 27 OE2 GLU A 3 5.850 1.158 13.090 1.00 4.96 O ATOM 0 H GLU A 3 9.122 3.236 8.741 1.00 1.54 H new ATOM 0 HA GLU A 3 6.560 2.722 9.684 1.00 1.43 H new ATOM 0 HB2 GLU A 3 8.858 2.140 10.669 1.00 1.55 H new ATOM 0 HB3 GLU A 3 9.002 3.808 11.188 1.00 1.55 H new ATOM 0 HG2 GLU A 3 8.306 2.606 13.111 1.00 1.95 H new ATOM 0 HG3 GLU A 3 6.883 3.470 12.564 1.00 1.95 H new ATOM 34 N GLN A 4 7.444 5.894 10.108 1.00 1.19 N ATOM 35 CA GLN A 4 6.944 7.232 10.430 1.00 1.14 C ATOM 36 C GLN A 4 5.970 7.754 9.363 1.00 1.12 C ATOM 37 O GLN A 4 5.017 8.467 9.682 1.00 1.25 O ATOM 38 CB GLN A 4 8.143 8.168 10.625 1.00 1.27 C ATOM 39 CG GLN A 4 7.748 9.488 11.310 1.00 2.22 C ATOM 40 CD GLN A 4 8.950 10.391 11.563 1.00 2.66 C ATOM 41 OE1 GLN A 4 10.025 10.222 10.997 1.00 3.03 O ATOM 42 NE2 GLN A 4 8.822 11.380 12.413 1.00 3.86 N ATOM 0 H GLN A 4 8.417 5.884 9.804 1.00 1.19 H new ATOM 0 HA GLN A 4 6.369 7.189 11.355 1.00 1.14 H new ATOM 0 HB2 GLN A 4 8.901 7.663 11.224 1.00 1.27 H new ATOM 0 HB3 GLN A 4 8.593 8.385 9.656 1.00 1.27 H new ATOM 0 HG2 GLN A 4 7.025 10.015 10.688 1.00 2.22 H new ATOM 0 HG3 GLN A 4 7.255 9.270 12.257 1.00 2.22 H new ATOM 0 HE21 GLN A 4 7.933 11.531 12.890 1.00 3.86 H new ATOM 0 HE22 GLN A 4 9.611 11.999 12.598 1.00 3.86 H new ATOM 51 N ILE A 5 6.154 7.362 8.098 1.00 1.10 N ATOM 52 CA ILE A 5 5.197 7.672 7.028 1.00 1.11 C ATOM 53 C ILE A 5 3.906 6.876 7.241 1.00 1.02 C ATOM 54 O ILE A 5 2.822 7.454 7.170 1.00 1.15 O ATOM 55 CB ILE A 5 5.815 7.464 5.629 1.00 1.19 C ATOM 56 CG1 ILE A 5 6.773 8.608 5.240 1.00 1.36 C ATOM 57 CG2 ILE A 5 4.716 7.456 4.549 1.00 1.45 C ATOM 58 CD1 ILE A 5 8.022 8.820 6.099 1.00 1.56 C ATOM 0 H ILE A 5 6.964 6.825 7.787 1.00 1.10 H new ATOM 0 HA ILE A 5 4.941 8.731 7.075 1.00 1.11 H new ATOM 0 HB ILE A 5 6.351 6.516 5.680 1.00 1.19 H new ATOM 0 HG12 ILE A 5 7.098 8.437 4.214 1.00 1.36 H new ATOM 0 HG13 ILE A 5 6.203 9.537 5.244 1.00 1.36 H new ATOM 0 HG21 ILE A 5 5.170 7.308 3.569 1.00 1.45 H new ATOM 0 HG22 ILE A 5 4.014 6.646 4.750 1.00 1.45 H new ATOM 0 HG23 ILE A 5 4.185 8.408 4.563 1.00 1.45 H new ATOM 0 HD11 ILE A 5 8.597 9.658 5.704 1.00 1.56 H new ATOM 0 HD12 ILE A 5 7.725 9.035 7.126 1.00 1.56 H new ATOM 0 HD13 ILE A 5 8.634 7.918 6.080 1.00 1.56 H new ATOM 70 N PHE A 6 3.993 5.592 7.600 1.00 0.95 N ATOM 71 CA PHE A 6 2.835 4.802 8.026 1.00 0.96 C ATOM 72 C PHE A 6 2.087 5.498 9.184 1.00 1.13 C ATOM 73 O PHE A 6 0.885 5.739 9.079 1.00 1.36 O ATOM 74 CB PHE A 6 3.283 3.367 8.375 1.00 1.09 C ATOM 75 CG PHE A 6 2.420 2.690 9.424 1.00 1.43 C ATOM 76 CD1 PHE A 6 1.057 2.466 9.165 1.00 2.52 C ATOM 77 CD2 PHE A 6 2.946 2.398 10.698 1.00 1.89 C ATOM 78 CE1 PHE A 6 0.211 2.011 10.188 1.00 3.17 C ATOM 79 CE2 PHE A 6 2.107 1.902 11.711 1.00 2.77 C ATOM 80 CZ PHE A 6 0.735 1.725 11.460 1.00 3.14 C ATOM 0 H PHE A 6 4.870 5.071 7.603 1.00 0.95 H new ATOM 0 HA PHE A 6 2.121 4.730 7.206 1.00 0.96 H new ATOM 0 HB2 PHE A 6 3.274 2.764 7.467 1.00 1.09 H new ATOM 0 HB3 PHE A 6 4.313 3.395 8.729 1.00 1.09 H new ATOM 0 HD1 PHE A 6 0.660 2.644 8.177 1.00 2.52 H new ATOM 0 HD2 PHE A 6 3.996 2.556 10.897 1.00 1.89 H new ATOM 0 HE1 PHE A 6 -0.844 1.881 9.997 1.00 3.17 H new ATOM 0 HE2 PHE A 6 2.516 1.657 12.680 1.00 2.77 H new ATOM 0 HZ PHE A 6 0.084 1.369 12.245 1.00 3.14 H new ATOM 90 N ARG A 7 2.808 5.902 10.237 1.00 1.17 N ATOM 91 CA ARG A 7 2.276 6.562 11.447 1.00 1.45 C ATOM 92 C ARG A 7 1.646 7.945 11.206 1.00 1.61 C ATOM 93 O ARG A 7 0.868 8.408 12.039 1.00 1.95 O ATOM 94 CB ARG A 7 3.405 6.614 12.493 1.00 1.40 C ATOM 95 CG ARG A 7 2.899 6.904 13.914 1.00 1.75 C ATOM 96 CD ARG A 7 4.039 6.796 14.934 1.00 2.22 C ATOM 97 NE ARG A 7 3.551 6.969 16.312 1.00 2.89 N ATOM 98 CZ ARG A 7 3.340 8.142 16.940 1.00 4.69 C ATOM 99 NH1 ARG A 7 3.580 9.320 16.342 1.00 6.30 N ATOM 100 NH2 ARG A 7 2.876 8.133 18.197 1.00 5.30 N ATOM 0 H ARG A 7 3.819 5.775 10.276 1.00 1.17 H new ATOM 0 HA ARG A 7 1.438 5.967 11.810 1.00 1.45 H new ATOM 0 HB2 ARG A 7 3.938 5.663 12.491 1.00 1.40 H new ATOM 0 HB3 ARG A 7 4.123 7.382 12.206 1.00 1.40 H new ATOM 0 HG2 ARG A 7 2.465 7.903 13.953 1.00 1.75 H new ATOM 0 HG3 ARG A 7 2.107 6.202 14.173 1.00 1.75 H new ATOM 0 HD2 ARG A 7 4.523 5.824 14.838 1.00 2.22 H new ATOM 0 HD3 ARG A 7 4.795 7.551 14.717 1.00 2.22 H new ATOM 0 HE ARG A 7 3.354 6.120 16.842 1.00 2.89 H new ATOM 0 HH11 ARG A 7 3.932 9.344 15.385 1.00 6.30 H new ATOM 0 HH12 ARG A 7 3.410 10.191 16.845 1.00 6.30 H new ATOM 0 HH21 ARG A 7 2.688 7.246 18.665 1.00 5.30 H new ATOM 0 HH22 ARG A 7 2.711 9.013 18.686 1.00 5.30 H new ATOM 114 N THR A 8 1.966 8.606 10.091 1.00 1.54 N ATOM 115 CA THR A 8 1.449 9.945 9.737 1.00 1.83 C ATOM 116 C THR A 8 0.382 9.915 8.636 1.00 1.83 C ATOM 117 O THR A 8 -0.642 10.590 8.757 1.00 1.97 O ATOM 118 CB THR A 8 2.592 10.906 9.367 1.00 1.96 C ATOM 119 OG1 THR A 8 3.477 10.327 8.435 1.00 1.89 O ATOM 120 CG2 THR A 8 3.443 11.283 10.577 1.00 2.00 C ATOM 0 H THR A 8 2.603 8.225 9.391 1.00 1.54 H new ATOM 0 HA THR A 8 0.954 10.320 10.633 1.00 1.83 H new ATOM 0 HB THR A 8 2.099 11.785 8.952 1.00 1.96 H new ATOM 0 HG1 THR A 8 4.033 9.657 8.885 1.00 1.89 H new ATOM 0 HG21 THR A 8 4.237 11.962 10.266 1.00 2.00 H new ATOM 0 HG22 THR A 8 2.818 11.773 11.323 1.00 2.00 H new ATOM 0 HG23 THR A 8 3.883 10.383 11.007 1.00 2.00 H new ATOM 128 N ARG A 9 0.577 9.110 7.582 1.00 1.71 N ATOM 129 CA ARG A 9 -0.307 9.025 6.402 1.00 1.77 C ATOM 130 C ARG A 9 -1.321 7.879 6.459 1.00 1.53 C ATOM 131 O ARG A 9 -2.414 8.021 5.912 1.00 1.58 O ATOM 132 CB ARG A 9 0.551 8.936 5.125 1.00 1.92 C ATOM 133 CG ARG A 9 1.528 10.106 4.888 1.00 1.97 C ATOM 134 CD ARG A 9 0.857 11.429 4.484 1.00 1.74 C ATOM 135 NE ARG A 9 0.185 12.110 5.603 1.00 1.74 N ATOM 136 CZ ARG A 9 0.766 12.932 6.496 1.00 2.34 C ATOM 137 NH1 ARG A 9 2.078 13.211 6.454 1.00 3.01 N ATOM 138 NH2 ARG A 9 0.014 13.484 7.458 1.00 3.98 N ATOM 0 H ARG A 9 1.377 8.480 7.521 1.00 1.71 H new ATOM 0 HA ARG A 9 -0.907 9.935 6.393 1.00 1.77 H new ATOM 0 HB2 ARG A 9 1.125 8.010 5.160 1.00 1.92 H new ATOM 0 HB3 ARG A 9 -0.116 8.865 4.266 1.00 1.92 H new ATOM 0 HG2 ARG A 9 2.105 10.270 5.798 1.00 1.97 H new ATOM 0 HG3 ARG A 9 2.235 9.820 4.109 1.00 1.97 H new ATOM 0 HD2 ARG A 9 1.609 12.095 4.062 1.00 1.74 H new ATOM 0 HD3 ARG A 9 0.128 11.233 3.698 1.00 1.74 H new ATOM 0 HE ARG A 9 -0.815 11.943 5.712 1.00 1.74 H new ATOM 0 HH11 ARG A 9 2.665 12.796 5.730 1.00 3.01 H new ATOM 0 HH12 ARG A 9 2.488 13.838 7.146 1.00 3.01 H new ATOM 0 HH21 ARG A 9 -0.984 13.279 7.506 1.00 3.98 H new ATOM 0 HH22 ARG A 9 0.440 14.109 8.142 1.00 3.98 H new ATOM 152 N CYS A 10 -0.984 6.754 7.092 1.00 1.42 N ATOM 153 CA CYS A 10 -1.652 5.455 6.874 1.00 1.36 C ATOM 154 C CYS A 10 -2.173 4.766 8.150 1.00 1.54 C ATOM 155 O CYS A 10 -2.613 3.614 8.092 1.00 1.35 O ATOM 156 CB CYS A 10 -0.691 4.520 6.132 1.00 1.26 C ATOM 157 SG CYS A 10 0.115 5.225 4.667 1.00 1.40 S ATOM 0 H CYS A 10 -0.232 6.711 7.780 1.00 1.42 H new ATOM 0 HA CYS A 10 -2.543 5.669 6.283 1.00 1.36 H new ATOM 0 HB2 CYS A 10 0.082 4.195 6.829 1.00 1.26 H new ATOM 0 HB3 CYS A 10 -1.241 3.629 5.829 1.00 1.26 H new ATOM 0 HG CYS A 10 0.901 4.337 4.134 1.00 1.40 H new ATOM 162 N SER A 11 -2.120 5.469 9.284 1.00 2.04 N ATOM 163 CA SER A 11 -2.650 5.059 10.589 1.00 2.61 C ATOM 164 C SER A 11 -4.191 5.013 10.609 1.00 2.88 C ATOM 165 O SER A 11 -4.850 5.316 9.607 1.00 4.44 O ATOM 166 CB SER A 11 -2.091 6.021 11.648 1.00 3.30 C ATOM 167 OG SER A 11 -2.562 7.337 11.415 1.00 5.26 O ATOM 0 H SER A 11 -1.683 6.390 9.319 1.00 2.04 H new ATOM 0 HA SER A 11 -2.331 4.040 10.807 1.00 2.61 H new ATOM 0 HB2 SER A 11 -2.390 5.691 12.643 1.00 3.30 H new ATOM 0 HB3 SER A 11 -1.001 6.008 11.622 1.00 3.30 H new ATOM 0 HG SER A 11 -2.200 7.940 12.098 1.00 5.26 H new ATOM 173 N SER A 12 -4.782 4.613 11.739 1.00 2.09 N ATOM 174 CA SER A 12 -6.222 4.346 11.906 1.00 2.08 C ATOM 175 C SER A 12 -6.776 3.181 11.060 1.00 1.71 C ATOM 176 O SER A 12 -7.994 3.004 10.999 1.00 2.15 O ATOM 177 CB SER A 12 -7.071 5.614 11.726 1.00 2.42 C ATOM 178 OG SER A 12 -6.550 6.724 12.440 1.00 3.42 O ATOM 0 H SER A 12 -4.254 4.459 12.598 1.00 2.09 H new ATOM 0 HA SER A 12 -6.309 4.013 12.940 1.00 2.08 H new ATOM 0 HB2 SER A 12 -7.127 5.862 10.666 1.00 2.42 H new ATOM 0 HB3 SER A 12 -8.089 5.416 12.061 1.00 2.42 H new ATOM 0 HG SER A 12 -7.123 7.506 12.293 1.00 3.42 H new ATOM 184 N CYS A 13 -5.904 2.378 10.440 1.00 1.17 N ATOM 185 CA CYS A 13 -6.246 1.159 9.695 1.00 0.91 C ATOM 186 C CYS A 13 -5.122 0.111 9.760 1.00 1.19 C ATOM 187 O CYS A 13 -5.362 -1.003 10.217 1.00 1.89 O ATOM 188 CB CYS A 13 -6.532 1.448 8.212 1.00 0.76 C ATOM 189 SG CYS A 13 -7.972 2.481 7.810 1.00 0.71 S ATOM 0 H CYS A 13 -4.901 2.566 10.443 1.00 1.17 H new ATOM 0 HA CYS A 13 -7.144 0.770 10.174 1.00 0.91 H new ATOM 0 HB2 CYS A 13 -5.649 1.926 7.788 1.00 0.76 H new ATOM 0 HB3 CYS A 13 -6.653 0.492 7.702 1.00 0.76 H new ATOM 0 HG CYS A 13 -8.431 3.027 8.897 1.00 0.71 H new ATOM 194 N HIS A 14 -3.905 0.425 9.292 1.00 1.26 N ATOM 195 CA HIS A 14 -2.821 -0.553 9.100 1.00 1.36 C ATOM 196 C HIS A 14 -1.884 -0.757 10.306 1.00 1.37 C ATOM 197 O HIS A 14 -1.926 -0.032 11.296 1.00 1.46 O ATOM 198 CB HIS A 14 -1.997 -0.147 7.865 1.00 1.68 C ATOM 199 CG HIS A 14 -2.581 -0.596 6.562 1.00 0.82 C ATOM 200 ND1 HIS A 14 -2.566 -1.859 6.027 1.00 1.58 N ATOM 201 CD2 HIS A 14 -3.058 0.246 5.618 1.00 1.11 C ATOM 202 CE1 HIS A 14 -3.006 -1.766 4.760 1.00 1.90 C ATOM 203 NE2 HIS A 14 -3.348 -0.493 4.459 1.00 0.70 N ATOM 0 H HIS A 14 -3.642 1.376 9.033 1.00 1.26 H new ATOM 0 HA HIS A 14 -3.314 -1.516 8.966 1.00 1.36 H new ATOM 0 HB2 HIS A 14 -1.896 0.938 7.850 1.00 1.68 H new ATOM 0 HB3 HIS A 14 -0.992 -0.559 7.961 1.00 1.68 H new ATOM 0 HD2 HIS A 14 -3.194 1.311 5.735 1.00 1.11 H new ATOM 0 HE1 HIS A 14 -3.077 -2.597 4.074 1.00 1.90 H new ATOM 0 HE2 HIS A 14 -3.733 -0.145 3.581 1.00 0.70 H new ATOM 211 N THR A 15 -0.970 -1.707 10.116 1.00 1.46 N ATOM 212 CA THR A 15 0.339 -1.842 10.788 1.00 1.70 C ATOM 213 C THR A 15 1.343 -2.491 9.823 1.00 1.56 C ATOM 214 O THR A 15 0.928 -3.104 8.834 1.00 1.45 O ATOM 215 CB THR A 15 0.288 -2.672 12.082 1.00 2.02 C ATOM 216 OG1 THR A 15 -0.231 -3.966 11.866 1.00 2.07 O ATOM 217 CG2 THR A 15 -0.541 -2.046 13.198 1.00 2.40 C ATOM 0 H THR A 15 -1.127 -2.458 9.444 1.00 1.46 H new ATOM 0 HA THR A 15 0.646 -0.834 11.068 1.00 1.70 H new ATOM 0 HB THR A 15 1.332 -2.711 12.394 1.00 2.02 H new ATOM 0 HG1 THR A 15 -0.244 -4.459 12.713 1.00 2.07 H new ATOM 0 HG21 THR A 15 -0.523 -2.696 14.073 1.00 2.40 H new ATOM 0 HG22 THR A 15 -0.123 -1.074 13.460 1.00 2.40 H new ATOM 0 HG23 THR A 15 -1.570 -1.920 12.860 1.00 2.40 H new ATOM 225 N VAL A 16 2.656 -2.378 10.080 1.00 1.66 N ATOM 226 CA VAL A 16 3.696 -3.093 9.309 1.00 1.58 C ATOM 227 C VAL A 16 4.175 -4.311 10.095 1.00 1.45 C ATOM 228 O VAL A 16 5.129 -4.263 10.866 1.00 1.49 O ATOM 229 CB VAL A 16 4.863 -2.182 8.858 1.00 1.62 C ATOM 230 CG1 VAL A 16 5.678 -2.906 7.771 1.00 1.68 C ATOM 231 CG2 VAL A 16 4.393 -0.850 8.255 1.00 2.14 C ATOM 0 H VAL A 16 3.030 -1.791 10.826 1.00 1.66 H new ATOM 0 HA VAL A 16 3.241 -3.435 8.380 1.00 1.58 H new ATOM 0 HB VAL A 16 5.450 -1.970 9.751 1.00 1.62 H new ATOM 0 HG11 VAL A 16 6.502 -2.269 7.449 1.00 1.68 H new ATOM 0 HG12 VAL A 16 6.076 -3.837 8.174 1.00 1.68 H new ATOM 0 HG13 VAL A 16 5.034 -3.125 6.919 1.00 1.68 H new ATOM 0 HG21 VAL A 16 5.260 -0.259 7.959 1.00 2.14 H new ATOM 0 HG22 VAL A 16 3.772 -1.045 7.381 1.00 2.14 H new ATOM 0 HG23 VAL A 16 3.814 -0.299 8.996 1.00 2.14 H new ATOM 241 N GLY A 17 3.472 -5.429 9.927 1.00 1.48 N ATOM 242 CA GLY A 17 3.758 -6.716 10.576 1.00 1.51 C ATOM 243 C GLY A 17 3.236 -6.802 12.007 1.00 1.62 C ATOM 244 O GLY A 17 2.495 -7.730 12.323 1.00 2.13 O ATOM 0 H GLY A 17 2.658 -5.470 9.314 1.00 1.48 H new ATOM 0 HA2 GLY A 17 3.314 -7.518 9.986 1.00 1.51 H new ATOM 0 HA3 GLY A 17 4.835 -6.881 10.580 1.00 1.51 H new ATOM 376 N PRO A 28 -6.285 -4.330 8.215 1.00 2.47 N ATOM 377 CA PRO A 28 -5.387 -4.580 7.088 1.00 2.60 C ATOM 378 C PRO A 28 -3.895 -4.526 7.461 1.00 2.22 C ATOM 379 O PRO A 28 -3.507 -4.033 8.520 1.00 2.23 O ATOM 380 CB PRO A 28 -5.758 -3.501 6.077 1.00 4.16 C ATOM 381 CG PRO A 28 -6.052 -2.302 6.969 1.00 4.95 C ATOM 382 CD PRO A 28 -6.834 -2.989 8.077 1.00 3.89 C ATOM 0 HA PRO A 28 -5.511 -5.591 6.701 1.00 2.60 H new ATOM 0 HB2 PRO A 28 -4.944 -3.299 5.381 1.00 4.16 H new ATOM 0 HB3 PRO A 28 -6.625 -3.785 5.480 1.00 4.16 H new ATOM 0 HG2 PRO A 28 -5.145 -1.821 7.335 1.00 4.95 H new ATOM 0 HG3 PRO A 28 -6.636 -1.536 6.459 1.00 4.95 H new ATOM 0 HD2 PRO A 28 -6.744 -2.437 9.012 1.00 3.89 H new ATOM 0 HD3 PRO A 28 -7.895 -3.030 7.832 1.00 3.89 H new ATOM 390 N ASP A 29 -3.040 -4.982 6.548 1.00 2.69 N ATOM 391 CA ASP A 29 -1.640 -5.356 6.810 1.00 2.20 C ATOM 392 C ASP A 29 -0.675 -4.742 5.765 1.00 2.45 C ATOM 393 O ASP A 29 -1.127 -4.273 4.716 1.00 3.52 O ATOM 394 CB ASP A 29 -1.596 -6.899 6.834 1.00 2.54 C ATOM 395 CG ASP A 29 -2.456 -7.517 7.952 1.00 3.47 C ATOM 396 OD1 ASP A 29 -2.485 -6.990 9.089 1.00 4.41 O ATOM 397 OD2 ASP A 29 -3.109 -8.557 7.701 1.00 4.47 O ATOM 0 H ASP A 29 -3.305 -5.108 5.571 1.00 2.69 H new ATOM 0 HA ASP A 29 -1.298 -4.957 7.765 1.00 2.20 H new ATOM 0 HB2 ASP A 29 -1.936 -7.280 5.871 1.00 2.54 H new ATOM 0 HB3 ASP A 29 -0.563 -7.224 6.958 1.00 2.54 H new ATOM 402 N LEU A 30 0.637 -4.687 6.030 1.00 1.64 N ATOM 403 CA LEU A 30 1.651 -4.086 5.131 1.00 1.81 C ATOM 404 C LEU A 30 2.965 -4.880 4.997 1.00 1.66 C ATOM 405 O LEU A 30 3.720 -4.629 4.057 1.00 1.80 O ATOM 406 CB LEU A 30 2.004 -2.656 5.597 1.00 1.85 C ATOM 407 CG LEU A 30 0.866 -1.630 5.559 1.00 2.04 C ATOM 408 CD1 LEU A 30 1.315 -0.297 6.159 1.00 2.20 C ATOM 409 CD2 LEU A 30 0.402 -1.328 4.129 1.00 2.75 C ATOM 0 H LEU A 30 1.038 -5.064 6.889 1.00 1.64 H new ATOM 0 HA LEU A 30 1.176 -4.092 4.150 1.00 1.81 H new ATOM 0 HB2 LEU A 30 2.380 -2.712 6.618 1.00 1.85 H new ATOM 0 HB3 LEU A 30 2.820 -2.285 4.976 1.00 1.85 H new ATOM 0 HG LEU A 30 0.051 -2.073 6.131 1.00 2.04 H new ATOM 0 HD11 LEU A 30 0.491 0.415 6.121 1.00 2.20 H new ATOM 0 HD12 LEU A 30 1.617 -0.448 7.195 1.00 2.20 H new ATOM 0 HD13 LEU A 30 2.158 0.093 5.589 1.00 2.20 H new ATOM 0 HD21 LEU A 30 -0.405 -0.596 4.155 1.00 2.75 H new ATOM 0 HD22 LEU A 30 1.236 -0.928 3.553 1.00 2.75 H new ATOM 0 HD23 LEU A 30 0.045 -2.245 3.661 1.00 2.75 H new ATOM 421 N LEU A 31 3.279 -5.811 5.900 1.00 1.48 N ATOM 422 CA LEU A 31 4.529 -6.577 5.826 1.00 1.38 C ATOM 423 C LEU A 31 4.487 -7.619 4.698 1.00 1.40 C ATOM 424 O LEU A 31 3.469 -8.274 4.457 1.00 1.98 O ATOM 425 CB LEU A 31 4.888 -7.133 7.205 1.00 1.49 C ATOM 426 CG LEU A 31 6.319 -7.701 7.275 1.00 1.64 C ATOM 427 CD1 LEU A 31 6.966 -7.374 8.615 1.00 2.58 C ATOM 428 CD2 LEU A 31 6.324 -9.213 7.094 1.00 1.76 C ATOM 0 H LEU A 31 2.685 -6.054 6.693 1.00 1.48 H new ATOM 0 HA LEU A 31 5.349 -5.915 5.549 1.00 1.38 H new ATOM 0 HB2 LEU A 31 4.781 -6.343 7.948 1.00 1.49 H new ATOM 0 HB3 LEU A 31 4.179 -7.917 7.470 1.00 1.49 H new ATOM 0 HG LEU A 31 6.885 -7.238 6.467 1.00 1.64 H new ATOM 0 HD11 LEU A 31 7.975 -7.785 8.642 1.00 2.58 H new ATOM 0 HD12 LEU A 31 7.011 -6.292 8.743 1.00 2.58 H new ATOM 0 HD13 LEU A 31 6.375 -7.810 9.420 1.00 2.58 H new ATOM 0 HD21 LEU A 31 7.348 -9.583 7.148 1.00 1.76 H new ATOM 0 HD22 LEU A 31 5.729 -9.676 7.881 1.00 1.76 H new ATOM 0 HD23 LEU A 31 5.899 -9.465 6.122 1.00 1.76 H new ATOM 440 N GLY A 32 5.616 -7.767 4.009 1.00 1.21 N ATOM 441 CA GLY A 32 5.834 -8.771 2.955 1.00 1.13 C ATOM 442 C GLY A 32 5.325 -8.406 1.551 1.00 1.01 C ATOM 443 O GLY A 32 5.596 -9.136 0.600 1.00 0.93 O ATOM 0 H GLY A 32 6.433 -7.177 4.169 1.00 1.21 H new ATOM 0 HA2 GLY A 32 6.903 -8.972 2.890 1.00 1.13 H new ATOM 0 HA3 GLY A 32 5.353 -9.700 3.262 1.00 1.13 H new ATOM 447 N VAL A 33 4.614 -7.287 1.364 1.00 1.14 N ATOM 448 CA VAL A 33 3.825 -7.021 0.148 1.00 1.11 C ATOM 449 C VAL A 33 4.620 -7.011 -1.169 1.00 0.79 C ATOM 450 O VAL A 33 4.060 -7.340 -2.213 1.00 0.85 O ATOM 451 CB VAL A 33 3.020 -5.720 0.309 1.00 1.51 C ATOM 452 CG1 VAL A 33 1.960 -5.850 1.410 1.00 1.74 C ATOM 453 CG2 VAL A 33 3.898 -4.494 0.596 1.00 3.31 C ATOM 0 H VAL A 33 4.568 -6.536 2.053 1.00 1.14 H new ATOM 0 HA VAL A 33 3.153 -7.874 0.054 1.00 1.11 H new ATOM 0 HB VAL A 33 2.534 -5.561 -0.654 1.00 1.51 H new ATOM 0 HG11 VAL A 33 1.409 -4.913 1.497 1.00 1.74 H new ATOM 0 HG12 VAL A 33 1.269 -6.655 1.157 1.00 1.74 H new ATOM 0 HG13 VAL A 33 2.447 -6.075 2.359 1.00 1.74 H new ATOM 0 HG21 VAL A 33 3.267 -3.611 0.698 1.00 3.31 H new ATOM 0 HG22 VAL A 33 4.453 -4.653 1.520 1.00 3.31 H new ATOM 0 HG23 VAL A 33 4.598 -4.347 -0.227 1.00 3.31 H new ATOM 463 N THR A 34 5.928 -6.721 -1.154 1.00 0.85 N ATOM 464 CA THR A 34 6.749 -6.774 -2.380 1.00 1.15 C ATOM 465 C THR A 34 7.069 -8.203 -2.846 1.00 1.14 C ATOM 466 O THR A 34 7.317 -8.408 -4.034 1.00 1.62 O ATOM 467 CB THR A 34 8.004 -5.889 -2.282 1.00 1.70 C ATOM 468 OG1 THR A 34 8.507 -5.671 -3.577 1.00 3.04 O ATOM 469 CG2 THR A 34 9.120 -6.476 -1.420 1.00 2.45 C ATOM 0 H THR A 34 6.441 -6.449 -0.315 1.00 0.85 H new ATOM 0 HA THR A 34 6.126 -6.349 -3.167 1.00 1.15 H new ATOM 0 HB THR A 34 7.690 -4.964 -1.799 1.00 1.70 H new ATOM 0 HG1 THR A 34 9.307 -5.107 -3.527 1.00 3.04 H new ATOM 0 HG21 THR A 34 9.967 -5.790 -1.404 1.00 2.45 H new ATOM 0 HG22 THR A 34 8.755 -6.625 -0.404 1.00 2.45 H new ATOM 0 HG23 THR A 34 9.436 -7.433 -1.836 1.00 2.45 H new ATOM 477 N ARG A 35 6.985 -9.229 -1.979 1.00 0.91 N ATOM 478 CA ARG A 35 7.112 -10.632 -2.423 1.00 1.24 C ATOM 479 C ARG A 35 5.831 -11.199 -3.048 1.00 1.26 C ATOM 480 O ARG A 35 5.908 -12.212 -3.739 1.00 1.66 O ATOM 481 CB ARG A 35 7.719 -11.555 -1.349 1.00 1.66 C ATOM 482 CG ARG A 35 6.839 -11.835 -0.118 1.00 2.52 C ATOM 483 CD ARG A 35 7.070 -13.233 0.473 1.00 3.85 C ATOM 484 NE ARG A 35 6.572 -14.300 -0.415 1.00 4.77 N ATOM 485 CZ ARG A 35 5.292 -14.704 -0.527 1.00 6.69 C ATOM 486 NH1 ARG A 35 4.311 -14.165 0.214 1.00 7.96 N ATOM 487 NH2 ARG A 35 4.991 -15.672 -1.404 1.00 7.77 N ATOM 0 H ARG A 35 6.831 -9.117 -0.977 1.00 0.91 H new ATOM 0 HA ARG A 35 7.838 -10.606 -3.236 1.00 1.24 H new ATOM 0 HB2 ARG A 35 7.967 -12.508 -1.817 1.00 1.66 H new ATOM 0 HB3 ARG A 35 8.655 -11.114 -1.008 1.00 1.66 H new ATOM 0 HG2 ARG A 35 7.042 -11.085 0.646 1.00 2.52 H new ATOM 0 HG3 ARG A 35 5.790 -11.732 -0.396 1.00 2.52 H new ATOM 0 HD2 ARG A 35 8.135 -13.379 0.652 1.00 3.85 H new ATOM 0 HD3 ARG A 35 6.571 -13.304 1.440 1.00 3.85 H new ATOM 0 HE ARG A 35 7.260 -14.776 -0.998 1.00 4.77 H new ATOM 0 HH11 ARG A 35 4.525 -13.428 0.885 1.00 7.96 H new ATOM 0 HH12 ARG A 35 3.351 -14.493 0.106 1.00 7.96 H new ATOM 0 HH21 ARG A 35 5.726 -16.091 -1.974 1.00 7.77 H new ATOM 0 HH22 ARG A 35 4.027 -15.990 -1.502 1.00 7.77 H new ATOM 501 N GLN A 36 4.677 -10.544 -2.871 1.00 1.13 N ATOM 502 CA GLN A 36 3.386 -11.005 -3.411 1.00 1.42 C ATOM 503 C GLN A 36 2.839 -10.175 -4.596 1.00 1.39 C ATOM 504 O GLN A 36 1.862 -10.609 -5.208 1.00 1.78 O ATOM 505 CB GLN A 36 2.367 -11.174 -2.262 1.00 1.67 C ATOM 506 CG GLN A 36 1.590 -9.891 -1.919 1.00 3.80 C ATOM 507 CD GLN A 36 0.786 -9.960 -0.628 1.00 4.71 C ATOM 508 OE1 GLN A 36 0.618 -10.996 0.002 1.00 4.55 O ATOM 509 NE2 GLN A 36 0.220 -8.860 -0.190 1.00 6.50 N ATOM 0 H GLN A 36 4.609 -9.672 -2.346 1.00 1.13 H new ATOM 0 HA GLN A 36 3.566 -11.980 -3.864 1.00 1.42 H new ATOM 0 HB2 GLN A 36 1.657 -11.955 -2.533 1.00 1.67 H new ATOM 0 HB3 GLN A 36 2.893 -11.517 -1.371 1.00 1.67 H new ATOM 0 HG2 GLN A 36 2.296 -9.063 -1.848 1.00 3.80 H new ATOM 0 HG3 GLN A 36 0.912 -9.662 -2.741 1.00 3.80 H new ATOM 0 HE21 GLN A 36 0.346 -7.985 -0.698 1.00 6.50 H new ATOM 0 HE22 GLN A 36 -0.346 -8.880 0.659 1.00 6.50 H new ATOM 518 N ARG A 37 3.425 -9.008 -4.922 1.00 1.23 N ATOM 519 CA ARG A 37 2.982 -8.083 -5.995 1.00 1.42 C ATOM 520 C ARG A 37 4.140 -7.620 -6.898 1.00 1.39 C ATOM 521 O ARG A 37 5.310 -7.742 -6.529 1.00 1.81 O ATOM 522 CB ARG A 37 2.312 -6.838 -5.378 1.00 1.71 C ATOM 523 CG ARG A 37 1.063 -7.114 -4.532 1.00 1.74 C ATOM 524 CD ARG A 37 -0.084 -7.740 -5.332 1.00 1.76 C ATOM 525 NE ARG A 37 -1.237 -8.038 -4.466 1.00 1.71 N ATOM 526 CZ ARG A 37 -1.996 -9.148 -4.510 1.00 1.98 C ATOM 527 NH1 ARG A 37 -1.761 -10.135 -5.389 1.00 2.47 N ATOM 528 NH2 ARG A 37 -3.019 -9.275 -3.653 1.00 2.25 N ATOM 0 H ARG A 37 4.251 -8.666 -4.430 1.00 1.23 H new ATOM 0 HA ARG A 37 2.275 -8.639 -6.611 1.00 1.42 H new ATOM 0 HB2 ARG A 37 3.044 -6.323 -4.757 1.00 1.71 H new ATOM 0 HB3 ARG A 37 2.041 -6.156 -6.183 1.00 1.71 H new ATOM 0 HG2 ARG A 37 1.329 -7.779 -3.710 1.00 1.74 H new ATOM 0 HG3 ARG A 37 0.720 -6.180 -4.088 1.00 1.74 H new ATOM 0 HD2 ARG A 37 -0.389 -7.060 -6.127 1.00 1.76 H new ATOM 0 HD3 ARG A 37 0.261 -8.656 -5.811 1.00 1.76 H new ATOM 0 HE ARG A 37 -1.483 -7.337 -3.767 1.00 1.71 H new ATOM 0 HH11 ARG A 37 -0.988 -10.056 -6.050 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -2.356 -10.964 -5.396 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -3.214 -8.535 -2.978 1.00 2.25 H new ATOM 0 HH22 ARG A 37 -3.602 -10.111 -3.676 1.00 2.25 H new ATOM 542 N ASP A 38 3.814 -7.072 -8.073 1.00 1.47 N ATOM 543 CA ASP A 38 4.770 -6.458 -9.013 1.00 1.45 C ATOM 544 C ASP A 38 5.284 -5.083 -8.539 1.00 1.48 C ATOM 545 O ASP A 38 4.546 -4.299 -7.940 1.00 1.54 O ATOM 546 CB ASP A 38 4.111 -6.343 -10.397 1.00 1.58 C ATOM 547 CG ASP A 38 4.994 -5.593 -11.394 1.00 2.86 C ATOM 548 OD1 ASP A 38 5.981 -6.189 -11.881 1.00 3.32 O ATOM 549 OD2 ASP A 38 4.746 -4.390 -11.639 1.00 4.11 O ATOM 0 H ASP A 38 2.852 -7.040 -8.410 1.00 1.47 H new ATOM 0 HA ASP A 38 5.646 -7.105 -9.065 1.00 1.45 H new ATOM 0 HB2 ASP A 38 3.898 -7.341 -10.781 1.00 1.58 H new ATOM 0 HB3 ASP A 38 3.155 -5.828 -10.301 1.00 1.58 H new ATOM 554 N ALA A 39 6.545 -4.772 -8.855 1.00 1.59 N ATOM 555 CA ALA A 39 7.242 -3.581 -8.370 1.00 1.73 C ATOM 556 C ALA A 39 6.744 -2.245 -8.958 1.00 1.64 C ATOM 557 O ALA A 39 6.933 -1.211 -8.314 1.00 1.86 O ATOM 558 CB ALA A 39 8.734 -3.780 -8.646 1.00 1.96 C ATOM 0 H ALA A 39 7.119 -5.353 -9.466 1.00 1.59 H new ATOM 0 HA ALA A 39 7.033 -3.488 -7.304 1.00 1.73 H new ATOM 0 HB1 ALA A 39 9.288 -2.909 -8.297 1.00 1.96 H new ATOM 0 HB2 ALA A 39 9.086 -4.668 -8.121 1.00 1.96 H new ATOM 0 HB3 ALA A 39 8.892 -3.905 -9.717 1.00 1.96 H new ATOM 564 N ASN A 40 6.106 -2.224 -10.135 1.00 1.44 N ATOM 565 CA ASN A 40 5.433 -1.018 -10.644 1.00 1.36 C ATOM 566 C ASN A 40 3.996 -0.925 -10.112 1.00 0.98 C ATOM 567 O ASN A 40 3.579 0.133 -9.635 1.00 0.91 O ATOM 568 CB ASN A 40 5.473 -0.987 -12.181 1.00 1.64 C ATOM 569 CG ASN A 40 6.851 -0.669 -12.723 1.00 2.02 C ATOM 570 OD1 ASN A 40 7.327 0.458 -12.648 1.00 2.96 O ATOM 571 ND2 ASN A 40 7.531 -1.641 -13.281 1.00 2.59 N ATOM 0 H ASN A 40 6.041 -3.031 -10.756 1.00 1.44 H new ATOM 0 HA ASN A 40 5.970 -0.142 -10.280 1.00 1.36 H new ATOM 0 HB2 ASN A 40 5.149 -1.953 -12.568 1.00 1.64 H new ATOM 0 HB3 ASN A 40 4.764 -0.243 -12.544 1.00 1.64 H new ATOM 0 HD21 ASN A 40 8.462 -1.462 -13.656 1.00 2.59 H new ATOM 0 HD22 ASN A 40 7.129 -2.576 -13.340 1.00 2.59 H new ATOM 578 N TRP A 41 3.261 -2.045 -10.126 1.00 0.84 N ATOM 579 CA TRP A 41 1.894 -2.123 -9.593 1.00 0.60 C ATOM 580 C TRP A 41 1.829 -1.668 -8.131 1.00 0.57 C ATOM 581 O TRP A 41 0.950 -0.889 -7.779 1.00 0.49 O ATOM 582 CB TRP A 41 1.374 -3.565 -9.711 1.00 0.55 C ATOM 583 CG TRP A 41 -0.041 -3.783 -9.255 1.00 0.55 C ATOM 584 CD1 TRP A 41 -1.131 -3.807 -10.057 1.00 0.64 C ATOM 585 CD2 TRP A 41 -0.553 -3.980 -7.895 1.00 0.70 C ATOM 586 NE1 TRP A 41 -2.270 -4.013 -9.306 1.00 0.82 N ATOM 587 CE2 TRP A 41 -1.976 -4.081 -7.959 1.00 0.83 C ATOM 588 CE3 TRP A 41 0.039 -4.071 -6.614 1.00 0.89 C ATOM 589 CZ2 TRP A 41 -2.764 -4.232 -6.810 1.00 1.05 C ATOM 590 CZ3 TRP A 41 -0.747 -4.187 -5.451 1.00 1.09 C ATOM 591 CH2 TRP A 41 -2.144 -4.266 -5.550 1.00 1.14 C ATOM 0 H TRP A 41 3.600 -2.927 -10.510 1.00 0.84 H new ATOM 0 HA TRP A 41 1.267 -1.452 -10.180 1.00 0.60 H new ATOM 0 HB2 TRP A 41 1.454 -3.877 -10.752 1.00 0.55 H new ATOM 0 HB3 TRP A 41 2.028 -4.217 -9.132 1.00 0.55 H new ATOM 0 HD1 TRP A 41 -1.112 -3.683 -11.130 1.00 0.64 H new ATOM 0 HE1 TRP A 41 -3.208 -4.103 -9.696 1.00 0.82 H new ATOM 0 HE3 TRP A 41 1.115 -4.051 -6.526 1.00 0.89 H new ATOM 0 HZ2 TRP A 41 -3.837 -4.321 -6.892 1.00 1.05 H new ATOM 0 HZ3 TRP A 41 -0.273 -4.215 -4.481 1.00 1.09 H new ATOM 0 HH2 TRP A 41 -2.744 -4.353 -4.656 1.00 1.14 H new ATOM 602 N LEU A 42 2.773 -2.101 -7.286 1.00 0.78 N ATOM 603 CA LEU A 42 2.766 -1.811 -5.850 1.00 0.85 C ATOM 604 C LEU A 42 2.918 -0.312 -5.550 1.00 0.78 C ATOM 605 O LEU A 42 2.193 0.210 -4.705 1.00 0.76 O ATOM 606 CB LEU A 42 3.863 -2.665 -5.183 1.00 1.05 C ATOM 607 CG LEU A 42 4.005 -2.478 -3.662 1.00 1.48 C ATOM 608 CD1 LEU A 42 2.723 -2.824 -2.897 1.00 1.58 C ATOM 609 CD2 LEU A 42 5.119 -3.387 -3.144 1.00 2.32 C ATOM 0 H LEU A 42 3.568 -2.666 -7.584 1.00 0.78 H new ATOM 0 HA LEU A 42 1.796 -2.078 -5.431 1.00 0.85 H new ATOM 0 HB2 LEU A 42 3.657 -3.716 -5.386 1.00 1.05 H new ATOM 0 HB3 LEU A 42 4.819 -2.431 -5.652 1.00 1.05 H new ATOM 0 HG LEU A 42 4.229 -1.424 -3.494 1.00 1.48 H new ATOM 0 HD11 LEU A 42 2.884 -2.673 -1.830 1.00 1.58 H new ATOM 0 HD12 LEU A 42 1.912 -2.180 -3.236 1.00 1.58 H new ATOM 0 HD13 LEU A 42 2.460 -3.866 -3.080 1.00 1.58 H new ATOM 0 HD21 LEU A 42 5.223 -3.258 -2.067 1.00 2.32 H new ATOM 0 HD22 LEU A 42 4.872 -4.426 -3.362 1.00 2.32 H new ATOM 0 HD23 LEU A 42 6.058 -3.127 -3.633 1.00 2.32 H new ATOM 621 N VAL A 43 3.813 0.383 -6.263 1.00 0.81 N ATOM 622 CA VAL A 43 4.051 1.830 -6.090 1.00 0.80 C ATOM 623 C VAL A 43 2.864 2.652 -6.600 1.00 0.67 C ATOM 624 O VAL A 43 2.471 3.629 -5.967 1.00 0.75 O ATOM 625 CB VAL A 43 5.384 2.264 -6.737 1.00 1.03 C ATOM 626 CG1 VAL A 43 5.698 3.738 -6.451 1.00 1.39 C ATOM 627 CG2 VAL A 43 6.546 1.434 -6.168 1.00 1.28 C ATOM 0 H VAL A 43 4.399 -0.042 -6.982 1.00 0.81 H new ATOM 0 HA VAL A 43 4.141 2.029 -5.022 1.00 0.80 H new ATOM 0 HB VAL A 43 5.277 2.110 -7.811 1.00 1.03 H new ATOM 0 HG11 VAL A 43 6.643 4.007 -6.922 1.00 1.39 H new ATOM 0 HG12 VAL A 43 4.901 4.364 -6.853 1.00 1.39 H new ATOM 0 HG13 VAL A 43 5.773 3.892 -5.375 1.00 1.39 H new ATOM 0 HG21 VAL A 43 7.480 1.750 -6.632 1.00 1.28 H new ATOM 0 HG22 VAL A 43 6.607 1.585 -5.090 1.00 1.28 H new ATOM 0 HG23 VAL A 43 6.376 0.378 -6.377 1.00 1.28 H new ATOM 637 N ARG A 44 2.217 2.214 -7.686 1.00 0.62 N ATOM 638 CA ARG A 44 0.977 2.823 -8.196 1.00 0.68 C ATOM 639 C ARG A 44 -0.208 2.578 -7.249 1.00 0.67 C ATOM 640 O ARG A 44 -0.916 3.518 -6.891 1.00 0.90 O ATOM 641 CB ARG A 44 0.693 2.300 -9.612 1.00 0.77 C ATOM 642 CG ARG A 44 1.731 2.801 -10.630 1.00 1.56 C ATOM 643 CD ARG A 44 1.532 2.132 -11.995 1.00 1.92 C ATOM 644 NE ARG A 44 2.569 2.554 -12.950 1.00 3.38 N ATOM 645 CZ ARG A 44 2.495 3.600 -13.796 1.00 3.98 C ATOM 646 NH1 ARG A 44 1.402 4.375 -13.873 1.00 3.70 N ATOM 647 NH2 ARG A 44 3.545 3.876 -14.582 1.00 5.66 N ATOM 0 H ARG A 44 2.539 1.422 -8.242 1.00 0.62 H new ATOM 0 HA ARG A 44 1.112 3.904 -8.244 1.00 0.68 H new ATOM 0 HB2 ARG A 44 0.691 1.210 -9.602 1.00 0.77 H new ATOM 0 HB3 ARG A 44 -0.302 2.617 -9.923 1.00 0.77 H new ATOM 0 HG2 ARG A 44 1.648 3.883 -10.736 1.00 1.56 H new ATOM 0 HG3 ARG A 44 2.736 2.593 -10.262 1.00 1.56 H new ATOM 0 HD2 ARG A 44 1.559 1.048 -11.879 1.00 1.92 H new ATOM 0 HD3 ARG A 44 0.547 2.386 -12.387 1.00 1.92 H new ATOM 0 HE ARG A 44 3.426 2.002 -12.974 1.00 3.38 H new ATOM 0 HH11 ARG A 44 0.595 4.179 -13.280 1.00 3.70 H new ATOM 0 HH12 ARG A 44 1.378 5.160 -14.524 1.00 3.70 H new ATOM 0 HH21 ARG A 44 4.384 3.298 -14.534 1.00 5.66 H new ATOM 0 HH22 ARG A 44 3.505 4.664 -15.228 1.00 5.66 H new ATOM 661 N TRP A 45 -0.386 1.343 -6.780 1.00 0.57 N ATOM 662 CA TRP A 45 -1.456 0.941 -5.860 1.00 0.69 C ATOM 663 C TRP A 45 -1.406 1.685 -4.526 1.00 0.86 C ATOM 664 O TRP A 45 -2.413 2.251 -4.106 1.00 1.09 O ATOM 665 CB TRP A 45 -1.392 -0.573 -5.601 1.00 0.71 C ATOM 666 CG TRP A 45 -2.320 -1.045 -4.520 1.00 0.84 C ATOM 667 CD1 TRP A 45 -1.951 -1.521 -3.305 1.00 1.03 C ATOM 668 CD2 TRP A 45 -3.781 -1.029 -4.515 1.00 0.90 C ATOM 669 NE1 TRP A 45 -3.079 -1.824 -2.570 1.00 1.16 N ATOM 670 CE2 TRP A 45 -4.237 -1.532 -3.260 1.00 1.09 C ATOM 671 CE3 TRP A 45 -4.766 -0.621 -5.441 1.00 0.92 C ATOM 672 CZ2 TRP A 45 -5.600 -1.635 -2.942 1.00 1.24 C ATOM 673 CZ3 TRP A 45 -6.136 -0.708 -5.129 1.00 1.11 C ATOM 674 CH2 TRP A 45 -6.555 -1.214 -3.885 1.00 1.24 C ATOM 0 H TRP A 45 0.228 0.570 -7.036 1.00 0.57 H new ATOM 0 HA TRP A 45 -2.396 1.203 -6.345 1.00 0.69 H new ATOM 0 HB2 TRP A 45 -1.629 -1.100 -6.525 1.00 0.71 H new ATOM 0 HB3 TRP A 45 -0.371 -0.843 -5.333 1.00 0.71 H new ATOM 0 HD1 TRP A 45 -0.933 -1.644 -2.966 1.00 1.03 H new ATOM 0 HE1 TRP A 45 -3.059 -2.217 -1.629 1.00 1.16 H new ATOM 0 HE3 TRP A 45 -4.464 -0.236 -6.404 1.00 0.92 H new ATOM 0 HZ2 TRP A 45 -5.911 -2.032 -1.987 1.00 1.24 H new ATOM 0 HZ3 TRP A 45 -6.871 -0.384 -5.850 1.00 1.11 H new ATOM 0 HH2 TRP A 45 -7.608 -1.279 -3.654 1.00 1.24 H new ATOM 685 N LEU A 46 -0.250 1.706 -3.850 1.00 0.84 N ATOM 686 CA LEU A 46 -0.149 2.298 -2.511 1.00 1.07 C ATOM 687 C LEU A 46 -0.230 3.838 -2.505 1.00 1.17 C ATOM 688 O LEU A 46 -0.364 4.429 -1.434 1.00 1.47 O ATOM 689 CB LEU A 46 1.026 1.672 -1.726 1.00 1.17 C ATOM 690 CG LEU A 46 2.282 2.520 -1.452 1.00 1.21 C ATOM 691 CD1 LEU A 46 3.226 1.734 -0.536 1.00 2.50 C ATOM 692 CD2 LEU A 46 3.043 2.811 -2.727 1.00 1.82 C ATOM 0 H LEU A 46 0.625 1.321 -4.207 1.00 0.84 H new ATOM 0 HA LEU A 46 -1.044 2.031 -1.950 1.00 1.07 H new ATOM 0 HB2 LEU A 46 0.638 1.340 -0.763 1.00 1.17 H new ATOM 0 HB3 LEU A 46 1.344 0.780 -2.266 1.00 1.17 H new ATOM 0 HG LEU A 46 1.956 3.456 -0.998 1.00 1.21 H new ATOM 0 HD11 LEU A 46 4.118 2.328 -0.337 1.00 2.50 H new ATOM 0 HD12 LEU A 46 2.720 1.513 0.404 1.00 2.50 H new ATOM 0 HD13 LEU A 46 3.512 0.801 -1.022 1.00 2.50 H new ATOM 0 HD21 LEU A 46 3.923 3.411 -2.496 1.00 1.82 H new ATOM 0 HD22 LEU A 46 3.354 1.873 -3.187 1.00 1.82 H new ATOM 0 HD23 LEU A 46 2.401 3.359 -3.417 1.00 1.82 H new ATOM 704 N LYS A 47 -0.168 4.469 -3.686 1.00 1.05 N ATOM 705 CA LYS A 47 -0.256 5.916 -3.884 1.00 1.23 C ATOM 706 C LYS A 47 -1.652 6.375 -4.336 1.00 1.22 C ATOM 707 O LYS A 47 -2.184 7.310 -3.740 1.00 1.66 O ATOM 708 CB LYS A 47 0.867 6.337 -4.849 1.00 1.32 C ATOM 709 CG LYS A 47 1.167 7.833 -4.737 1.00 1.67 C ATOM 710 CD LYS A 47 2.270 8.272 -5.713 1.00 1.84 C ATOM 711 CE LYS A 47 2.636 9.734 -5.437 1.00 3.48 C ATOM 712 NZ LYS A 47 3.733 10.215 -6.307 1.00 3.74 N ATOM 0 H LYS A 47 -0.050 3.961 -4.563 1.00 1.05 H new ATOM 0 HA LYS A 47 -0.112 6.423 -2.930 1.00 1.23 H new ATOM 0 HB2 LYS A 47 1.769 5.766 -4.631 1.00 1.32 H new ATOM 0 HB3 LYS A 47 0.578 6.098 -5.872 1.00 1.32 H new ATOM 0 HG2 LYS A 47 0.259 8.401 -4.937 1.00 1.67 H new ATOM 0 HG3 LYS A 47 1.471 8.067 -3.717 1.00 1.67 H new ATOM 0 HD2 LYS A 47 3.148 7.637 -5.597 1.00 1.84 H new ATOM 0 HD3 LYS A 47 1.928 8.158 -6.742 1.00 1.84 H new ATOM 0 HE2 LYS A 47 1.756 10.360 -5.586 1.00 3.48 H new ATOM 0 HE3 LYS A 47 2.930 9.841 -4.393 1.00 3.48 H new ATOM 0 HZ1 LYS A 47 3.944 11.208 -6.082 1.00 3.74 H new ATOM 0 HZ2 LYS A 47 4.582 9.636 -6.147 1.00 3.74 H new ATOM 0 HZ3 LYS A 47 3.445 10.139 -7.303 1.00 3.74 H new ATOM 726 N VAL A 48 -2.266 5.728 -5.334 1.00 0.85 N ATOM 727 CA VAL A 48 -3.556 6.156 -5.940 1.00 0.85 C ATOM 728 C VAL A 48 -4.618 5.029 -6.033 1.00 0.75 C ATOM 729 O VAL A 48 -5.107 4.693 -7.118 1.00 0.75 O ATOM 730 CB VAL A 48 -3.319 6.864 -7.290 1.00 0.90 C ATOM 731 CG1 VAL A 48 -2.652 8.226 -7.075 1.00 2.73 C ATOM 732 CG2 VAL A 48 -2.490 6.043 -8.287 1.00 2.44 C ATOM 0 H VAL A 48 -1.885 4.881 -5.756 1.00 0.85 H new ATOM 0 HA VAL A 48 -3.994 6.879 -5.252 1.00 0.85 H new ATOM 0 HB VAL A 48 -4.308 6.990 -7.730 1.00 0.90 H new ATOM 0 HG11 VAL A 48 -2.493 8.710 -8.039 1.00 2.73 H new ATOM 0 HG12 VAL A 48 -3.295 8.852 -6.456 1.00 2.73 H new ATOM 0 HG13 VAL A 48 -1.693 8.087 -6.577 1.00 2.73 H new ATOM 0 HG21 VAL A 48 -2.367 6.608 -9.211 1.00 2.44 H new ATOM 0 HG22 VAL A 48 -1.510 5.831 -7.858 1.00 2.44 H new ATOM 0 HG23 VAL A 48 -3.003 5.105 -8.501 1.00 2.44 H new ATOM 742 N PRO A 49 -5.004 4.409 -4.902 1.00 0.74 N ATOM 743 CA PRO A 49 -5.807 3.179 -4.869 1.00 0.76 C ATOM 744 C PRO A 49 -7.259 3.306 -5.361 1.00 0.88 C ATOM 745 O PRO A 49 -7.820 2.319 -5.843 1.00 1.13 O ATOM 746 CB PRO A 49 -5.763 2.726 -3.406 1.00 0.83 C ATOM 747 CG PRO A 49 -5.563 4.037 -2.644 1.00 0.87 C ATOM 748 CD PRO A 49 -4.629 4.808 -3.555 1.00 0.79 C ATOM 0 HA PRO A 49 -5.384 2.462 -5.573 1.00 0.76 H new ATOM 0 HB2 PRO A 49 -6.685 2.225 -3.111 1.00 0.83 H new ATOM 0 HB3 PRO A 49 -4.947 2.026 -3.225 1.00 0.83 H new ATOM 0 HG2 PRO A 49 -6.505 4.564 -2.489 1.00 0.87 H new ATOM 0 HG3 PRO A 49 -5.125 3.871 -1.660 1.00 0.87 H new ATOM 0 HD2 PRO A 49 -4.741 5.883 -3.416 1.00 0.79 H new ATOM 0 HD3 PRO A 49 -3.587 4.566 -3.347 1.00 0.79 H new ATOM 756 N ASP A 50 -7.910 4.471 -5.268 1.00 0.88 N ATOM 757 CA ASP A 50 -9.254 4.681 -5.843 1.00 1.02 C ATOM 758 C ASP A 50 -9.183 4.989 -7.343 1.00 0.91 C ATOM 759 O ASP A 50 -10.040 4.546 -8.109 1.00 1.00 O ATOM 760 CB ASP A 50 -9.992 5.786 -5.074 1.00 1.34 C ATOM 761 CG ASP A 50 -11.426 5.995 -5.564 1.00 1.77 C ATOM 762 OD1 ASP A 50 -12.225 5.028 -5.551 1.00 2.94 O ATOM 763 OD2 ASP A 50 -11.770 7.147 -5.931 1.00 2.05 O ATOM 0 H ASP A 50 -7.529 5.292 -4.797 1.00 0.88 H new ATOM 0 HA ASP A 50 -9.820 3.755 -5.738 1.00 1.02 H new ATOM 0 HB2 ASP A 50 -10.009 5.535 -4.013 1.00 1.34 H new ATOM 0 HB3 ASP A 50 -9.440 6.721 -5.172 1.00 1.34 H new ATOM 768 N GLN A 51 -8.120 5.669 -7.779 1.00 0.89 N ATOM 769 CA GLN A 51 -7.824 5.926 -9.192 1.00 0.94 C ATOM 770 C GLN A 51 -7.508 4.618 -9.946 1.00 0.84 C ATOM 771 O GLN A 51 -7.972 4.428 -11.073 1.00 0.88 O ATOM 772 CB GLN A 51 -6.668 6.947 -9.266 1.00 1.21 C ATOM 773 CG GLN A 51 -7.026 8.243 -10.009 1.00 1.97 C ATOM 774 CD GLN A 51 -7.240 8.026 -11.499 1.00 1.88 C ATOM 775 OE1 GLN A 51 -8.361 7.898 -11.977 1.00 3.12 O ATOM 776 NE2 GLN A 51 -6.180 7.947 -12.270 1.00 2.49 N ATOM 0 H GLN A 51 -7.425 6.065 -7.146 1.00 0.89 H new ATOM 0 HA GLN A 51 -8.698 6.347 -9.688 1.00 0.94 H new ATOM 0 HB2 GLN A 51 -6.352 7.196 -8.253 1.00 1.21 H new ATOM 0 HB3 GLN A 51 -5.816 6.480 -9.760 1.00 1.21 H new ATOM 0 HG2 GLN A 51 -7.931 8.668 -9.574 1.00 1.97 H new ATOM 0 HG3 GLN A 51 -6.229 8.972 -9.863 1.00 1.97 H new ATOM 0 HE21 GLN A 51 -5.248 8.054 -11.869 1.00 2.49 H new ATOM 0 HE22 GLN A 51 -6.288 7.779 -13.270 1.00 2.49 H new ATOM 785 N MET A 52 -6.801 3.679 -9.301 1.00 0.77 N ATOM 786 CA MET A 52 -6.548 2.329 -9.826 1.00 0.74 C ATOM 787 C MET A 52 -7.825 1.473 -9.887 1.00 0.74 C ATOM 788 O MET A 52 -8.072 0.799 -10.887 1.00 0.72 O ATOM 789 CB MET A 52 -5.485 1.632 -8.954 1.00 0.73 C ATOM 790 CG MET A 52 -4.994 0.319 -9.577 1.00 1.48 C ATOM 791 SD MET A 52 -3.872 0.534 -10.983 1.00 1.59 S ATOM 792 CE MET A 52 -2.296 0.398 -10.100 1.00 1.16 C ATOM 0 H MET A 52 -6.382 3.839 -8.385 1.00 0.77 H new ATOM 0 HA MET A 52 -6.186 2.434 -10.849 1.00 0.74 H new ATOM 0 HB2 MET A 52 -4.638 2.303 -8.811 1.00 0.73 H new ATOM 0 HB3 MET A 52 -5.902 1.430 -7.967 1.00 0.73 H new ATOM 0 HG2 MET A 52 -4.488 -0.267 -8.810 1.00 1.48 H new ATOM 0 HG3 MET A 52 -5.858 -0.261 -9.902 1.00 1.48 H new ATOM 0 HE1 MET A 52 -1.473 0.506 -10.806 1.00 1.16 H new ATOM 0 HE2 MET A 52 -2.232 1.183 -9.346 1.00 1.16 H new ATOM 0 HE3 MET A 52 -2.233 -0.576 -9.616 1.00 1.16 H new ATOM 802 N LEU A 53 -8.670 1.510 -8.851 1.00 0.83 N ATOM 803 CA LEU A 53 -9.931 0.762 -8.850 1.00 0.95 C ATOM 804 C LEU A 53 -10.945 1.342 -9.860 1.00 1.00 C ATOM 805 O LEU A 53 -11.732 0.594 -10.441 1.00 1.09 O ATOM 806 CB LEU A 53 -10.459 0.694 -7.403 1.00 1.05 C ATOM 807 CG LEU A 53 -11.541 -0.381 -7.184 1.00 1.15 C ATOM 808 CD1 LEU A 53 -10.972 -1.803 -7.248 1.00 2.22 C ATOM 809 CD2 LEU A 53 -12.175 -0.200 -5.802 1.00 1.98 C ATOM 0 H LEU A 53 -8.503 2.050 -8.002 1.00 0.83 H new ATOM 0 HA LEU A 53 -9.762 -0.258 -9.194 1.00 0.95 H new ATOM 0 HB2 LEU A 53 -9.624 0.497 -6.731 1.00 1.05 H new ATOM 0 HB3 LEU A 53 -10.867 1.667 -7.129 1.00 1.05 H new ATOM 0 HG LEU A 53 -12.273 -0.257 -7.982 1.00 1.15 H new ATOM 0 HD11 LEU A 53 -11.774 -2.523 -7.088 1.00 2.22 H new ATOM 0 HD12 LEU A 53 -10.523 -1.972 -8.227 1.00 2.22 H new ATOM 0 HD13 LEU A 53 -10.213 -1.927 -6.475 1.00 2.22 H new ATOM 0 HD21 LEU A 53 -12.940 -0.962 -5.650 1.00 1.98 H new ATOM 0 HD22 LEU A 53 -11.408 -0.298 -5.034 1.00 1.98 H new ATOM 0 HD23 LEU A 53 -12.629 0.789 -5.737 1.00 1.98 H new ATOM 821 N ALA A 54 -10.861 2.646 -10.155 1.00 0.98 N ATOM 822 CA ALA A 54 -11.594 3.297 -11.242 1.00 1.06 C ATOM 823 C ALA A 54 -11.064 2.913 -12.638 1.00 1.13 C ATOM 824 O ALA A 54 -11.850 2.867 -13.585 1.00 1.23 O ATOM 825 CB ALA A 54 -11.569 4.816 -11.025 1.00 1.08 C ATOM 0 H ALA A 54 -10.268 3.289 -9.631 1.00 0.98 H new ATOM 0 HA ALA A 54 -12.624 2.943 -11.216 1.00 1.06 H new ATOM 0 HB1 ALA A 54 -12.113 5.308 -11.831 1.00 1.08 H new ATOM 0 HB2 ALA A 54 -12.039 5.055 -10.071 1.00 1.08 H new ATOM 0 HB3 ALA A 54 -10.537 5.166 -11.018 1.00 1.08 H new ATOM 831 N GLU A 55 -9.776 2.562 -12.780 1.00 1.15 N ATOM 832 CA GLU A 55 -9.250 1.986 -14.032 1.00 1.24 C ATOM 833 C GLU A 55 -9.585 0.494 -14.198 1.00 1.32 C ATOM 834 O GLU A 55 -9.340 -0.071 -15.268 1.00 1.54 O ATOM 835 CB GLU A 55 -7.756 2.304 -14.256 1.00 1.18 C ATOM 836 CG GLU A 55 -6.683 1.295 -13.802 1.00 1.76 C ATOM 837 CD GLU A 55 -5.420 1.422 -14.667 1.00 2.23 C ATOM 838 OE1 GLU A 55 -4.804 2.517 -14.697 1.00 2.40 O ATOM 839 OE2 GLU A 55 -5.053 0.453 -15.375 1.00 3.35 O ATOM 0 H GLU A 55 -9.078 2.666 -12.044 1.00 1.15 H new ATOM 0 HA GLU A 55 -9.782 2.491 -14.838 1.00 1.24 H new ATOM 0 HB2 GLU A 55 -7.615 2.470 -15.324 1.00 1.18 H new ATOM 0 HB3 GLU A 55 -7.546 3.249 -13.756 1.00 1.18 H new ATOM 0 HG2 GLU A 55 -6.432 1.469 -12.756 1.00 1.76 H new ATOM 0 HG3 GLU A 55 -7.077 0.281 -13.871 1.00 1.76 H new ATOM 846 N LYS A 56 -10.150 -0.138 -13.157 1.00 1.29 N ATOM 847 CA LYS A 56 -10.546 -1.554 -13.096 1.00 1.32 C ATOM 848 C LYS A 56 -9.381 -2.504 -13.411 1.00 1.32 C ATOM 849 O LYS A 56 -9.511 -3.419 -14.226 1.00 1.79 O ATOM 850 CB LYS A 56 -11.835 -1.793 -13.920 1.00 1.59 C ATOM 851 CG LYS A 56 -13.015 -0.920 -13.441 1.00 2.32 C ATOM 852 CD LYS A 56 -14.258 -1.008 -14.338 1.00 2.83 C ATOM 853 CE LYS A 56 -14.964 -2.365 -14.267 1.00 4.10 C ATOM 854 NZ LYS A 56 -16.156 -2.391 -15.147 1.00 4.74 N ATOM 0 H LYS A 56 -10.354 0.353 -12.287 1.00 1.29 H new ATOM 0 HA LYS A 56 -10.804 -1.804 -12.067 1.00 1.32 H new ATOM 0 HB2 LYS A 56 -11.635 -1.582 -14.971 1.00 1.59 H new ATOM 0 HB3 LYS A 56 -12.115 -2.844 -13.853 1.00 1.59 H new ATOM 0 HG2 LYS A 56 -13.288 -1.219 -12.429 1.00 2.32 H new ATOM 0 HG3 LYS A 56 -12.689 0.119 -13.390 1.00 2.32 H new ATOM 0 HD2 LYS A 56 -14.961 -0.226 -14.051 1.00 2.83 H new ATOM 0 HD3 LYS A 56 -13.967 -0.812 -15.370 1.00 2.83 H new ATOM 0 HE2 LYS A 56 -14.273 -3.154 -14.562 1.00 4.10 H new ATOM 0 HE3 LYS A 56 -15.262 -2.570 -13.239 1.00 4.10 H new ATOM 0 HZ1 LYS A 56 -16.616 -3.321 -15.081 1.00 4.74 H new ATOM 0 HZ2 LYS A 56 -16.824 -1.652 -14.848 1.00 4.74 H new ATOM 0 HZ3 LYS A 56 -15.865 -2.218 -16.130 1.00 4.74 H new ATOM 868 N ASP A 57 -8.224 -2.270 -12.786 1.00 1.12 N ATOM 869 CA ASP A 57 -7.065 -3.166 -12.782 1.00 1.19 C ATOM 870 C ASP A 57 -7.511 -4.496 -12.175 1.00 1.17 C ATOM 871 O ASP A 57 -7.954 -4.552 -11.026 1.00 1.21 O ATOM 872 CB ASP A 57 -5.872 -2.580 -12.012 1.00 1.40 C ATOM 873 CG ASP A 57 -4.750 -3.622 -11.865 1.00 2.02 C ATOM 874 OD1 ASP A 57 -3.976 -3.838 -12.834 1.00 2.43 O ATOM 875 OD2 ASP A 57 -4.692 -4.279 -10.804 1.00 3.01 O ATOM 0 H ASP A 57 -8.063 -1.418 -12.248 1.00 1.12 H new ATOM 0 HA ASP A 57 -6.715 -3.306 -13.805 1.00 1.19 H new ATOM 0 HB2 ASP A 57 -5.492 -1.702 -12.534 1.00 1.40 H new ATOM 0 HB3 ASP A 57 -6.198 -2.248 -11.026 1.00 1.40 H new ATOM 880 N PRO A 58 -7.456 -5.570 -12.959 1.00 1.17 N ATOM 881 CA PRO A 58 -8.220 -6.781 -12.683 1.00 1.28 C ATOM 882 C PRO A 58 -7.558 -7.739 -11.693 1.00 1.55 C ATOM 883 O PRO A 58 -8.090 -8.803 -11.372 1.00 2.55 O ATOM 884 CB PRO A 58 -8.363 -7.356 -14.064 1.00 1.24 C ATOM 885 CG PRO A 58 -7.027 -7.053 -14.732 1.00 1.22 C ATOM 886 CD PRO A 58 -6.851 -5.627 -14.285 1.00 1.16 C ATOM 0 HA PRO A 58 -9.166 -6.585 -12.178 1.00 1.28 H new ATOM 0 HB2 PRO A 58 -8.559 -8.428 -14.031 1.00 1.24 H new ATOM 0 HB3 PRO A 58 -9.192 -6.897 -14.603 1.00 1.24 H new ATOM 0 HG2 PRO A 58 -6.226 -7.704 -14.383 1.00 1.22 H new ATOM 0 HG3 PRO A 58 -7.068 -7.151 -15.817 1.00 1.22 H new ATOM 0 HD2 PRO A 58 -5.797 -5.351 -14.250 1.00 1.16 H new ATOM 0 HD3 PRO A 58 -7.339 -4.935 -14.972 1.00 1.16 H new ATOM 894 N LEU A 59 -6.386 -7.334 -11.224 1.00 0.95 N ATOM 895 CA LEU A 59 -5.735 -7.802 -10.000 1.00 0.95 C ATOM 896 C LEU A 59 -6.296 -7.069 -8.768 1.00 0.94 C ATOM 897 O LEU A 59 -6.807 -7.711 -7.849 1.00 1.00 O ATOM 898 CB LEU A 59 -4.208 -7.652 -10.162 1.00 0.95 C ATOM 899 CG LEU A 59 -3.314 -8.348 -9.119 1.00 1.13 C ATOM 900 CD1 LEU A 59 -3.342 -7.689 -7.745 1.00 1.66 C ATOM 901 CD2 LEU A 59 -3.668 -9.824 -8.963 1.00 2.43 C ATOM 0 H LEU A 59 -5.830 -6.631 -11.711 1.00 0.95 H new ATOM 0 HA LEU A 59 -5.948 -8.858 -9.833 1.00 0.95 H new ATOM 0 HB2 LEU A 59 -3.935 -8.031 -11.147 1.00 0.95 H new ATOM 0 HB3 LEU A 59 -3.971 -6.588 -10.153 1.00 0.95 H new ATOM 0 HG LEU A 59 -2.304 -8.247 -9.516 1.00 1.13 H new ATOM 0 HD11 LEU A 59 -2.688 -8.236 -7.066 1.00 1.66 H new ATOM 0 HD12 LEU A 59 -2.998 -6.658 -7.829 1.00 1.66 H new ATOM 0 HD13 LEU A 59 -4.360 -7.701 -7.356 1.00 1.66 H new ATOM 0 HD21 LEU A 59 -3.014 -10.278 -8.218 1.00 2.43 H new ATOM 0 HD22 LEU A 59 -4.705 -9.917 -8.641 1.00 2.43 H new ATOM 0 HD23 LEU A 59 -3.538 -10.332 -9.918 1.00 2.43 H new ATOM 913 N ALA A 60 -6.294 -5.731 -8.752 1.00 0.95 N ATOM 914 CA ALA A 60 -6.862 -4.971 -7.635 1.00 0.97 C ATOM 915 C ALA A 60 -8.367 -5.223 -7.433 1.00 0.93 C ATOM 916 O ALA A 60 -8.821 -5.396 -6.303 1.00 0.94 O ATOM 917 CB ALA A 60 -6.602 -3.484 -7.837 1.00 1.02 C ATOM 0 H ALA A 60 -5.906 -5.154 -9.499 1.00 0.95 H new ATOM 0 HA ALA A 60 -6.365 -5.320 -6.730 1.00 0.97 H new ATOM 0 HB1 ALA A 60 -7.026 -2.924 -7.004 1.00 1.02 H new ATOM 0 HB2 ALA A 60 -5.528 -3.306 -7.884 1.00 1.02 H new ATOM 0 HB3 ALA A 60 -7.066 -3.157 -8.768 1.00 1.02 H new ATOM 923 N MET A 61 -9.135 -5.324 -8.521 1.00 0.92 N ATOM 924 CA MET A 61 -10.555 -5.665 -8.492 1.00 0.94 C ATOM 925 C MET A 61 -10.834 -7.019 -7.814 1.00 0.97 C ATOM 926 O MET A 61 -11.904 -7.178 -7.227 1.00 1.00 O ATOM 927 CB MET A 61 -11.070 -5.672 -9.934 1.00 1.06 C ATOM 928 CG MET A 61 -11.064 -4.279 -10.582 1.00 0.82 C ATOM 929 SD MET A 61 -12.427 -3.188 -10.108 1.00 1.58 S ATOM 930 CE MET A 61 -13.757 -4.084 -10.933 1.00 1.82 C ATOM 0 H MET A 61 -8.778 -5.168 -9.464 1.00 0.92 H new ATOM 0 HA MET A 61 -11.077 -4.918 -7.894 1.00 0.94 H new ATOM 0 HB2 MET A 61 -10.455 -6.346 -10.530 1.00 1.06 H new ATOM 0 HB3 MET A 61 -12.085 -6.069 -9.949 1.00 1.06 H new ATOM 0 HG2 MET A 61 -10.125 -3.786 -10.332 1.00 0.82 H new ATOM 0 HG3 MET A 61 -11.081 -4.402 -11.665 1.00 0.82 H new ATOM 0 HE1 MET A 61 -14.597 -3.411 -11.106 1.00 1.82 H new ATOM 0 HE2 MET A 61 -13.399 -4.470 -11.887 1.00 1.82 H new ATOM 0 HE3 MET A 61 -14.081 -4.914 -10.305 1.00 1.82 H new ATOM 940 N LEU A 62 -9.890 -7.971 -7.833 1.00 1.00 N ATOM 941 CA LEU A 62 -9.987 -9.211 -7.054 1.00 1.04 C ATOM 942 C LEU A 62 -9.617 -9.020 -5.584 1.00 1.05 C ATOM 943 O LEU A 62 -10.313 -9.564 -4.721 1.00 1.14 O ATOM 944 CB LEU A 62 -9.058 -10.289 -7.628 1.00 1.23 C ATOM 945 CG LEU A 62 -9.457 -10.870 -8.992 1.00 1.67 C ATOM 946 CD1 LEU A 62 -8.378 -11.855 -9.443 1.00 2.45 C ATOM 947 CD2 LEU A 62 -10.785 -11.625 -8.948 1.00 2.83 C ATOM 0 H LEU A 62 -9.038 -7.902 -8.389 1.00 1.00 H new ATOM 0 HA LEU A 62 -11.031 -9.517 -7.119 1.00 1.04 H new ATOM 0 HB2 LEU A 62 -8.056 -9.868 -7.715 1.00 1.23 H new ATOM 0 HB3 LEU A 62 -8.999 -11.108 -6.911 1.00 1.23 H new ATOM 0 HG LEU A 62 -9.564 -10.031 -9.679 1.00 1.67 H new ATOM 0 HD11 LEU A 62 -8.650 -12.275 -10.411 1.00 2.45 H new ATOM 0 HD12 LEU A 62 -7.424 -11.335 -9.528 1.00 2.45 H new ATOM 0 HD13 LEU A 62 -8.290 -12.658 -8.711 1.00 2.45 H new ATOM 0 HD21 LEU A 62 -11.016 -12.013 -9.940 1.00 2.83 H new ATOM 0 HD22 LEU A 62 -10.710 -12.453 -8.243 1.00 2.83 H new ATOM 0 HD23 LEU A 62 -11.578 -10.948 -8.630 1.00 2.83 H new ATOM 959 N LEU A 63 -8.536 -8.282 -5.277 1.00 1.01 N ATOM 960 CA LEU A 63 -8.076 -8.194 -3.882 1.00 1.05 C ATOM 961 C LEU A 63 -9.057 -7.374 -3.045 1.00 0.99 C ATOM 962 O LEU A 63 -9.290 -7.681 -1.878 1.00 1.05 O ATOM 963 CB LEU A 63 -6.599 -7.767 -3.803 1.00 1.30 C ATOM 964 CG LEU A 63 -6.337 -6.256 -3.884 1.00 1.15 C ATOM 965 CD1 LEU A 63 -6.371 -5.617 -2.496 1.00 2.18 C ATOM 966 CD2 LEU A 63 -4.965 -5.980 -4.482 1.00 2.15 C ATOM 0 H LEU A 63 -7.981 -7.755 -5.951 1.00 1.01 H new ATOM 0 HA LEU A 63 -8.082 -9.183 -3.424 1.00 1.05 H new ATOM 0 HB2 LEU A 63 -6.182 -8.140 -2.868 1.00 1.30 H new ATOM 0 HB3 LEU A 63 -6.055 -8.255 -4.612 1.00 1.30 H new ATOM 0 HG LEU A 63 -7.120 -5.831 -4.512 1.00 1.15 H new ATOM 0 HD11 LEU A 63 -6.182 -4.547 -2.583 1.00 2.18 H new ATOM 0 HD12 LEU A 63 -7.351 -5.777 -2.046 1.00 2.18 H new ATOM 0 HD13 LEU A 63 -5.604 -6.070 -1.868 1.00 2.18 H new ATOM 0 HD21 LEU A 63 -4.799 -4.904 -4.531 1.00 2.15 H new ATOM 0 HD22 LEU A 63 -4.197 -6.438 -3.858 1.00 2.15 H new ATOM 0 HD23 LEU A 63 -4.915 -6.401 -5.486 1.00 2.15 H new ATOM 978 N PHE A 64 -9.694 -6.365 -3.644 1.00 0.94 N ATOM 979 CA PHE A 64 -10.569 -5.474 -2.887 1.00 0.93 C ATOM 980 C PHE A 64 -11.857 -6.192 -2.451 1.00 0.96 C ATOM 981 O PHE A 64 -12.273 -6.040 -1.304 1.00 1.01 O ATOM 982 CB PHE A 64 -10.775 -4.149 -3.644 1.00 0.97 C ATOM 983 CG PHE A 64 -12.201 -3.854 -4.049 1.00 0.94 C ATOM 984 CD1 PHE A 64 -12.739 -4.418 -5.215 1.00 2.21 C ATOM 985 CD2 PHE A 64 -13.001 -3.042 -3.229 1.00 1.60 C ATOM 986 CE1 PHE A 64 -14.076 -4.169 -5.563 1.00 2.19 C ATOM 987 CE2 PHE A 64 -14.329 -2.771 -3.586 1.00 1.73 C ATOM 988 CZ PHE A 64 -14.874 -3.340 -4.753 1.00 1.10 C ATOM 0 H PHE A 64 -9.621 -6.148 -4.638 1.00 0.94 H new ATOM 0 HA PHE A 64 -10.089 -5.194 -1.949 1.00 0.93 H new ATOM 0 HB2 PHE A 64 -10.416 -3.332 -3.018 1.00 0.97 H new ATOM 0 HB3 PHE A 64 -10.155 -4.161 -4.540 1.00 0.97 H new ATOM 0 HD1 PHE A 64 -12.125 -5.044 -5.845 1.00 2.21 H new ATOM 0 HD2 PHE A 64 -12.592 -2.625 -2.321 1.00 1.60 H new ATOM 0 HE1 PHE A 64 -14.493 -4.615 -6.454 1.00 2.19 H new ATOM 0 HE2 PHE A 64 -14.934 -2.126 -2.966 1.00 1.73 H new ATOM 0 HZ PHE A 64 -15.900 -3.141 -5.025 1.00 1.10 H new ATOM 998 N GLU A 65 -12.437 -7.057 -3.298 1.00 0.99 N ATOM 999 CA GLU A 65 -13.591 -7.878 -2.905 1.00 1.07 C ATOM 1000 C GLU A 65 -13.232 -9.091 -2.026 1.00 1.16 C ATOM 1001 O GLU A 65 -14.126 -9.673 -1.411 1.00 1.43 O ATOM 1002 CB GLU A 65 -14.521 -8.207 -4.088 1.00 1.10 C ATOM 1003 CG GLU A 65 -14.040 -9.283 -5.069 1.00 1.88 C ATOM 1004 CD GLU A 65 -15.181 -9.665 -6.029 1.00 2.23 C ATOM 1005 OE1 GLU A 65 -16.056 -10.472 -5.638 1.00 3.07 O ATOM 1006 OE2 GLU A 65 -15.249 -9.146 -7.172 1.00 2.71 O ATOM 0 H GLU A 65 -12.126 -7.205 -4.258 1.00 0.99 H new ATOM 0 HA GLU A 65 -14.182 -7.247 -2.242 1.00 1.07 H new ATOM 0 HB2 GLU A 65 -15.484 -8.521 -3.686 1.00 1.10 H new ATOM 0 HB3 GLU A 65 -14.694 -7.289 -4.649 1.00 1.10 H new ATOM 0 HG2 GLU A 65 -13.185 -8.915 -5.635 1.00 1.88 H new ATOM 0 HG3 GLU A 65 -13.704 -10.163 -4.521 1.00 1.88 H new ATOM 1013 N GLN A 66 -11.946 -9.440 -1.881 1.00 1.02 N ATOM 1014 CA GLN A 66 -11.482 -10.427 -0.894 1.00 1.07 C ATOM 1015 C GLN A 66 -11.345 -9.848 0.525 1.00 0.97 C ATOM 1016 O GLN A 66 -11.457 -10.593 1.504 1.00 1.22 O ATOM 1017 CB GLN A 66 -10.177 -11.082 -1.407 1.00 1.26 C ATOM 1018 CG GLN A 66 -9.589 -12.165 -0.479 1.00 3.00 C ATOM 1019 CD GLN A 66 -8.360 -12.881 -1.047 1.00 3.88 C ATOM 1020 OE1 GLN A 66 -7.994 -12.760 -2.212 1.00 4.01 O ATOM 1021 NE2 GLN A 66 -7.662 -13.656 -0.245 1.00 5.54 N ATOM 0 H GLN A 66 -11.195 -9.045 -2.447 1.00 1.02 H new ATOM 0 HA GLN A 66 -12.245 -11.199 -0.795 1.00 1.07 H new ATOM 0 HB2 GLN A 66 -10.369 -11.526 -2.384 1.00 1.26 H new ATOM 0 HB3 GLN A 66 -9.429 -10.303 -1.553 1.00 1.26 H new ATOM 0 HG2 GLN A 66 -9.320 -11.705 0.472 1.00 3.00 H new ATOM 0 HG3 GLN A 66 -10.361 -12.905 -0.268 1.00 3.00 H new ATOM 0 HE21 GLN A 66 -7.947 -13.772 0.728 1.00 5.54 H new ATOM 0 HE22 GLN A 66 -6.836 -14.141 -0.596 1.00 5.54 H new ATOM 1030 N TYR A 67 -11.180 -8.529 0.657 1.00 0.82 N ATOM 1031 CA TYR A 67 -10.994 -7.836 1.936 1.00 0.90 C ATOM 1032 C TYR A 67 -12.210 -6.965 2.305 1.00 1.01 C ATOM 1033 O TYR A 67 -12.143 -5.734 2.348 1.00 1.46 O ATOM 1034 CB TYR A 67 -9.655 -7.086 1.896 1.00 0.88 C ATOM 1035 CG TYR A 67 -8.437 -7.978 1.693 1.00 0.90 C ATOM 1036 CD1 TYR A 67 -8.170 -9.020 2.604 1.00 2.08 C ATOM 1037 CD2 TYR A 67 -7.534 -7.730 0.637 1.00 2.07 C ATOM 1038 CE1 TYR A 67 -7.007 -9.801 2.463 1.00 2.11 C ATOM 1039 CE2 TYR A 67 -6.351 -8.489 0.503 1.00 2.20 C ATOM 1040 CZ TYR A 67 -6.089 -9.524 1.430 1.00 1.22 C ATOM 1041 OH TYR A 67 -4.920 -10.210 1.381 1.00 1.46 O ATOM 0 H TYR A 67 -11.172 -7.897 -0.143 1.00 0.82 H new ATOM 0 HA TYR A 67 -10.940 -8.556 2.752 1.00 0.90 H new ATOM 0 HB2 TYR A 67 -9.689 -6.350 1.092 1.00 0.88 H new ATOM 0 HB3 TYR A 67 -9.534 -6.534 2.828 1.00 0.88 H new ATOM 0 HD1 TYR A 67 -8.859 -9.220 3.412 1.00 2.08 H new ATOM 0 HD2 TYR A 67 -7.751 -6.950 -0.078 1.00 2.07 H new ATOM 0 HE1 TYR A 67 -6.818 -10.614 3.148 1.00 2.11 H new ATOM 0 HE2 TYR A 67 -5.656 -8.282 -0.297 1.00 2.20 H new ATOM 0 HH TYR A 67 -4.395 -9.907 0.611 1.00 1.46 H new ATOM 1051 N ASN A 68 -13.338 -7.634 2.575 1.00 1.11 N ATOM 1052 CA ASN A 68 -14.633 -7.054 2.969 1.00 1.25 C ATOM 1053 C ASN A 68 -15.256 -6.062 1.964 1.00 1.14 C ATOM 1054 O ASN A 68 -16.099 -5.262 2.368 1.00 1.20 O ATOM 1055 CB ASN A 68 -14.540 -6.489 4.409 1.00 1.50 C ATOM 1056 CG ASN A 68 -15.871 -6.515 5.144 1.00 2.16 C ATOM 1057 OD1 ASN A 68 -16.489 -5.495 5.427 1.00 3.28 O ATOM 1058 ND2 ASN A 68 -16.349 -7.690 5.478 1.00 2.79 N ATOM 0 H ASN A 68 -13.376 -8.652 2.522 1.00 1.11 H new ATOM 0 HA ASN A 68 -15.350 -7.875 2.955 1.00 1.25 H new ATOM 0 HB2 ASN A 68 -13.808 -7.067 4.974 1.00 1.50 H new ATOM 0 HB3 ASN A 68 -14.174 -5.463 4.368 1.00 1.50 H new ATOM 0 HD21 ASN A 68 -17.237 -7.757 5.975 1.00 2.79 H new ATOM 0 HD22 ASN A 68 -15.832 -8.537 5.241 1.00 2.79 H new ATOM 1065 N ARG A 69 -14.843 -6.055 0.681 1.00 1.15 N ATOM 1066 CA ARG A 69 -15.171 -4.987 -0.301 1.00 1.14 C ATOM 1067 C ARG A 69 -14.859 -3.546 0.163 1.00 1.06 C ATOM 1068 O ARG A 69 -15.377 -2.591 -0.412 1.00 1.53 O ATOM 1069 CB ARG A 69 -16.622 -5.165 -0.808 1.00 1.35 C ATOM 1070 CG ARG A 69 -16.785 -6.413 -1.691 1.00 2.12 C ATOM 1071 CD ARG A 69 -18.246 -6.669 -2.074 1.00 2.40 C ATOM 1072 NE ARG A 69 -19.007 -7.254 -0.956 1.00 3.70 N ATOM 1073 CZ ARG A 69 -20.282 -6.978 -0.626 1.00 4.54 C ATOM 1074 NH1 ARG A 69 -21.003 -6.053 -1.281 1.00 4.55 N ATOM 1075 NH2 ARG A 69 -20.849 -7.648 0.386 1.00 6.16 N ATOM 0 H ARG A 69 -14.265 -6.797 0.287 1.00 1.15 H new ATOM 0 HA ARG A 69 -14.488 -5.119 -1.140 1.00 1.14 H new ATOM 0 HB2 ARG A 69 -17.296 -5.237 0.046 1.00 1.35 H new ATOM 0 HB3 ARG A 69 -16.917 -4.282 -1.374 1.00 1.35 H new ATOM 0 HG2 ARG A 69 -16.190 -6.295 -2.597 1.00 2.12 H new ATOM 0 HG3 ARG A 69 -16.393 -7.282 -1.163 1.00 2.12 H new ATOM 0 HD2 ARG A 69 -18.712 -5.732 -2.381 1.00 2.40 H new ATOM 0 HD3 ARG A 69 -18.285 -7.340 -2.932 1.00 2.40 H new ATOM 0 HE ARG A 69 -18.519 -7.936 -0.375 1.00 3.70 H new ATOM 0 HH11 ARG A 69 -20.586 -5.535 -2.055 1.00 4.55 H new ATOM 0 HH12 ARG A 69 -21.967 -5.869 -1.005 1.00 4.55 H new ATOM 0 HH21 ARG A 69 -20.315 -8.354 0.893 1.00 6.16 H new ATOM 0 HH22 ARG A 69 -21.815 -7.452 0.650 1.00 6.16 H new ATOM 1089 N LEU A 70 -14.002 -3.346 1.172 1.00 1.03 N ATOM 1090 CA LEU A 70 -13.844 -2.048 1.863 1.00 1.03 C ATOM 1091 C LEU A 70 -13.147 -0.967 1.005 1.00 1.07 C ATOM 1092 O LEU A 70 -13.447 0.224 1.128 1.00 1.88 O ATOM 1093 CB LEU A 70 -13.130 -2.337 3.204 1.00 1.17 C ATOM 1094 CG LEU A 70 -13.105 -1.248 4.297 1.00 1.23 C ATOM 1095 CD1 LEU A 70 -11.966 -0.239 4.147 1.00 2.22 C ATOM 1096 CD2 LEU A 70 -14.424 -0.491 4.441 1.00 2.46 C ATOM 0 H LEU A 70 -13.394 -4.079 1.538 1.00 1.03 H new ATOM 0 HA LEU A 70 -14.822 -1.605 2.051 1.00 1.03 H new ATOM 0 HB2 LEU A 70 -13.592 -3.224 3.636 1.00 1.17 H new ATOM 0 HB3 LEU A 70 -12.096 -2.595 2.975 1.00 1.17 H new ATOM 0 HG LEU A 70 -12.933 -1.823 5.207 1.00 1.23 H new ATOM 0 HD11 LEU A 70 -12.019 0.492 4.954 1.00 2.22 H new ATOM 0 HD12 LEU A 70 -11.010 -0.760 4.192 1.00 2.22 H new ATOM 0 HD13 LEU A 70 -12.056 0.271 3.188 1.00 2.22 H new ATOM 0 HD21 LEU A 70 -14.330 0.258 5.228 1.00 2.46 H new ATOM 0 HD22 LEU A 70 -14.666 0.001 3.499 1.00 2.46 H new ATOM 0 HD23 LEU A 70 -15.219 -1.191 4.699 1.00 2.46 H new ATOM 1108 N ALA A 71 -12.283 -1.385 0.071 1.00 1.40 N ATOM 1109 CA ALA A 71 -11.410 -0.520 -0.737 1.00 1.42 C ATOM 1110 C ALA A 71 -10.417 0.310 0.128 1.00 1.64 C ATOM 1111 O ALA A 71 -10.208 -0.006 1.298 1.00 2.88 O ATOM 1112 CB ALA A 71 -12.270 0.315 -1.703 1.00 1.38 C ATOM 0 H ALA A 71 -12.168 -2.374 -0.152 1.00 1.40 H new ATOM 0 HA ALA A 71 -10.754 -1.142 -1.346 1.00 1.42 H new ATOM 0 HB1 ALA A 71 -11.625 0.957 -2.303 1.00 1.38 H new ATOM 0 HB2 ALA A 71 -12.831 -0.351 -2.359 1.00 1.38 H new ATOM 0 HB3 ALA A 71 -12.965 0.931 -1.132 1.00 1.38 H new ATOM 1118 N MET A 72 -9.770 1.336 -0.446 1.00 0.83 N ATOM 1119 CA MET A 72 -9.128 2.434 0.305 1.00 0.79 C ATOM 1120 C MET A 72 -8.920 3.690 -0.583 1.00 0.78 C ATOM 1121 O MET A 72 -8.696 3.522 -1.788 1.00 0.80 O ATOM 1122 CB MET A 72 -7.794 1.989 0.952 1.00 0.89 C ATOM 1123 CG MET A 72 -6.676 1.657 -0.039 1.00 1.26 C ATOM 1124 SD MET A 72 -5.138 1.079 0.752 1.00 0.89 S ATOM 1125 CE MET A 72 -4.011 1.138 -0.664 1.00 1.26 C ATOM 0 H MET A 72 -9.675 1.431 -1.457 1.00 0.83 H new ATOM 0 HA MET A 72 -9.811 2.704 1.111 1.00 0.79 H new ATOM 0 HB2 MET A 72 -7.447 2.781 1.616 1.00 0.89 H new ATOM 0 HB3 MET A 72 -7.982 1.112 1.572 1.00 0.89 H new ATOM 0 HG2 MET A 72 -7.030 0.890 -0.728 1.00 1.26 H new ATOM 0 HG3 MET A 72 -6.456 2.543 -0.635 1.00 1.26 H new ATOM 0 HE1 MET A 72 -3.093 0.603 -0.421 1.00 1.26 H new ATOM 0 HE2 MET A 72 -4.486 0.670 -1.527 1.00 1.26 H new ATOM 0 HE3 MET A 72 -3.775 2.176 -0.898 1.00 1.26 H new ATOM 1135 N PRO A 73 -8.948 4.921 -0.029 1.00 0.90 N ATOM 1136 CA PRO A 73 -8.626 6.162 -0.746 1.00 0.95 C ATOM 1137 C PRO A 73 -7.130 6.552 -0.671 1.00 0.88 C ATOM 1138 O PRO A 73 -6.322 5.855 -0.059 1.00 0.98 O ATOM 1139 CB PRO A 73 -9.539 7.213 -0.104 1.00 1.26 C ATOM 1140 CG PRO A 73 -9.681 6.752 1.346 1.00 1.46 C ATOM 1141 CD PRO A 73 -9.513 5.233 1.280 1.00 1.16 C ATOM 0 HA PRO A 73 -8.796 6.058 -1.818 1.00 0.95 H new ATOM 0 HB2 PRO A 73 -9.102 8.210 -0.164 1.00 1.26 H new ATOM 0 HB3 PRO A 73 -10.507 7.259 -0.604 1.00 1.26 H new ATOM 0 HG2 PRO A 73 -8.924 7.208 1.984 1.00 1.46 H new ATOM 0 HG3 PRO A 73 -10.652 7.027 1.757 1.00 1.46 H new ATOM 0 HD2 PRO A 73 -8.856 4.883 2.076 1.00 1.16 H new ATOM 0 HD3 PRO A 73 -10.472 4.733 1.415 1.00 1.16 H new ATOM 1149 N ASN A 74 -6.767 7.674 -1.303 1.00 0.96 N ATOM 1150 CA ASN A 74 -5.449 8.331 -1.248 1.00 1.14 C ATOM 1151 C ASN A 74 -5.276 9.235 0.004 1.00 1.31 C ATOM 1152 O ASN A 74 -6.266 9.677 0.591 1.00 2.25 O ATOM 1153 CB ASN A 74 -5.279 9.105 -2.576 1.00 1.23 C ATOM 1154 CG ASN A 74 -4.203 10.174 -2.551 1.00 1.52 C ATOM 1155 OD1 ASN A 74 -4.443 11.325 -2.208 1.00 1.93 O ATOM 1156 ND2 ASN A 74 -2.971 9.815 -2.806 1.00 2.51 N ATOM 0 H ASN A 74 -7.420 8.179 -1.902 1.00 0.96 H new ATOM 0 HA ASN A 74 -4.661 7.586 -1.142 1.00 1.14 H new ATOM 0 HB2 ASN A 74 -5.048 8.394 -3.369 1.00 1.23 H new ATOM 0 HB3 ASN A 74 -6.230 9.571 -2.834 1.00 1.23 H new ATOM 0 HD21 ASN A 74 -2.214 10.493 -2.719 1.00 2.51 H new ATOM 0 HD22 ASN A 74 -2.768 8.857 -3.092 1.00 2.51 H new ATOM 1163 N MET A 75 -4.024 9.552 0.387 1.00 1.11 N ATOM 1164 CA MET A 75 -3.678 10.432 1.530 1.00 1.22 C ATOM 1165 C MET A 75 -2.603 11.509 1.230 1.00 1.40 C ATOM 1166 O MET A 75 -1.836 11.879 2.121 1.00 2.41 O ATOM 1167 CB MET A 75 -3.315 9.600 2.781 1.00 1.38 C ATOM 1168 CG MET A 75 -4.444 8.685 3.265 1.00 1.47 C ATOM 1169 SD MET A 75 -4.425 6.992 2.618 1.00 2.35 S ATOM 1170 CE MET A 75 -6.162 6.599 2.918 1.00 3.52 C ATOM 0 H MET A 75 -3.201 9.196 -0.100 1.00 1.11 H new ATOM 0 HA MET A 75 -4.585 11.002 1.732 1.00 1.22 H new ATOM 0 HB2 MET A 75 -2.438 8.992 2.560 1.00 1.38 H new ATOM 0 HB3 MET A 75 -3.038 10.278 3.589 1.00 1.38 H new ATOM 0 HG2 MET A 75 -4.406 8.638 4.353 1.00 1.47 H new ATOM 0 HG3 MET A 75 -5.396 9.144 2.999 1.00 1.47 H new ATOM 0 HE1 MET A 75 -6.403 5.640 2.459 1.00 3.52 H new ATOM 0 HE2 MET A 75 -6.342 6.543 3.992 1.00 3.52 H new ATOM 0 HE3 MET A 75 -6.791 7.377 2.485 1.00 3.52 H new ATOM 1180 N ARG A 76 -2.533 12.032 -0.008 1.00 1.16 N ATOM 1181 CA ARG A 76 -1.660 13.166 -0.418 1.00 1.28 C ATOM 1182 C ARG A 76 -0.171 12.998 -0.051 1.00 1.20 C ATOM 1183 O ARG A 76 0.404 13.768 0.728 1.00 1.67 O ATOM 1184 CB ARG A 76 -2.254 14.498 0.087 1.00 1.81 C ATOM 1185 CG ARG A 76 -3.626 14.831 -0.530 1.00 2.62 C ATOM 1186 CD ARG A 76 -4.272 16.059 0.125 1.00 3.52 C ATOM 1187 NE ARG A 76 -3.447 17.273 -0.006 1.00 4.06 N ATOM 1188 CZ ARG A 76 -3.578 18.235 -0.941 1.00 4.76 C ATOM 1189 NH1 ARG A 76 -4.519 18.176 -1.897 1.00 5.05 N ATOM 1190 NH2 ARG A 76 -2.741 19.280 -0.914 1.00 5.81 N ATOM 0 H ARG A 76 -3.096 11.672 -0.779 1.00 1.16 H new ATOM 0 HA ARG A 76 -1.652 13.176 -1.508 1.00 1.28 H new ATOM 0 HB2 ARG A 76 -2.353 14.455 1.172 1.00 1.81 H new ATOM 0 HB3 ARG A 76 -1.558 15.306 -0.138 1.00 1.81 H new ATOM 0 HG2 ARG A 76 -3.508 15.011 -1.599 1.00 2.62 H new ATOM 0 HG3 ARG A 76 -4.289 13.973 -0.422 1.00 2.62 H new ATOM 0 HD2 ARG A 76 -5.247 16.237 -0.328 1.00 3.52 H new ATOM 0 HD3 ARG A 76 -4.444 15.854 1.182 1.00 3.52 H new ATOM 0 HE ARG A 76 -2.702 17.398 0.680 1.00 4.06 H new ATOM 0 HH11 ARG A 76 -5.163 17.385 -1.931 1.00 5.05 H new ATOM 0 HH12 ARG A 76 -4.590 18.922 -2.589 1.00 5.05 H new ATOM 0 HH21 ARG A 76 -2.020 19.338 -0.194 1.00 5.81 H new ATOM 0 HH22 ARG A 76 -2.824 20.018 -1.613 1.00 5.81 H new ATOM 1204 N LEU A 77 0.458 11.974 -0.623 1.00 1.11 N ATOM 1205 CA LEU A 77 1.840 11.584 -0.335 1.00 1.28 C ATOM 1206 C LEU A 77 2.858 12.597 -0.890 1.00 1.93 C ATOM 1207 O LEU A 77 2.762 13.039 -2.043 1.00 2.45 O ATOM 1208 CB LEU A 77 2.134 10.179 -0.909 1.00 1.50 C ATOM 1209 CG LEU A 77 1.463 8.953 -0.256 1.00 1.34 C ATOM 1210 CD1 LEU A 77 1.749 8.874 1.245 1.00 1.98 C ATOM 1211 CD2 LEU A 77 -0.050 8.875 -0.474 1.00 2.36 C ATOM 0 H LEU A 77 0.011 11.376 -1.318 1.00 1.11 H new ATOM 0 HA LEU A 77 1.948 11.566 0.750 1.00 1.28 H new ATOM 0 HB2 LEU A 77 1.852 10.187 -1.962 1.00 1.50 H new ATOM 0 HB3 LEU A 77 3.212 10.025 -0.869 1.00 1.50 H new ATOM 0 HG LEU A 77 1.914 8.102 -0.767 1.00 1.34 H new ATOM 0 HD11 LEU A 77 1.257 7.996 1.663 1.00 1.98 H new ATOM 0 HD12 LEU A 77 2.824 8.799 1.407 1.00 1.98 H new ATOM 0 HD13 LEU A 77 1.370 9.770 1.735 1.00 1.98 H new ATOM 0 HD21 LEU A 77 -0.443 7.985 0.017 1.00 2.36 H new ATOM 0 HD22 LEU A 77 -0.525 9.761 -0.052 1.00 2.36 H new ATOM 0 HD23 LEU A 77 -0.262 8.824 -1.542 1.00 2.36 H new ATOM 1223 N GLY A 78 3.877 12.900 -0.085 1.00 2.13 N ATOM 1224 CA GLY A 78 5.107 13.549 -0.534 1.00 2.76 C ATOM 1225 C GLY A 78 6.012 12.596 -1.327 1.00 2.35 C ATOM 1226 O GLY A 78 5.979 11.377 -1.151 1.00 1.67 O ATOM 0 H GLY A 78 3.870 12.697 0.915 1.00 2.13 H new ATOM 0 HA2 GLY A 78 4.856 14.409 -1.155 1.00 2.76 H new ATOM 0 HA3 GLY A 78 5.652 13.928 0.331 1.00 2.76 H new ATOM 1230 N ASP A 79 6.855 13.149 -2.194 1.00 2.81 N ATOM 1231 CA ASP A 79 7.677 12.378 -3.141 1.00 2.60 C ATOM 1232 C ASP A 79 8.764 11.545 -2.431 1.00 2.11 C ATOM 1233 O ASP A 79 9.122 10.454 -2.891 1.00 1.90 O ATOM 1234 CB ASP A 79 8.318 13.337 -4.157 1.00 3.20 C ATOM 1235 CG ASP A 79 7.338 14.252 -4.902 1.00 4.33 C ATOM 1236 OD1 ASP A 79 6.140 13.903 -5.047 1.00 4.70 O ATOM 1237 OD2 ASP A 79 7.742 15.365 -5.314 1.00 5.68 O ATOM 0 H ASP A 79 6.993 14.157 -2.265 1.00 2.81 H new ATOM 0 HA ASP A 79 7.023 11.673 -3.655 1.00 2.60 H new ATOM 0 HB2 ASP A 79 9.046 13.959 -3.636 1.00 3.20 H new ATOM 0 HB3 ASP A 79 8.869 12.748 -4.890 1.00 3.20 H new ATOM 1242 N ALA A 80 9.254 12.022 -1.283 1.00 2.23 N ATOM 1243 CA ALA A 80 10.139 11.295 -0.376 1.00 2.00 C ATOM 1244 C ALA A 80 9.384 10.359 0.589 1.00 1.57 C ATOM 1245 O ALA A 80 9.977 9.398 1.084 1.00 1.49 O ATOM 1246 CB ALA A 80 10.979 12.320 0.394 1.00 2.56 C ATOM 0 H ALA A 80 9.035 12.961 -0.950 1.00 2.23 H new ATOM 0 HA ALA A 80 10.779 10.641 -0.969 1.00 2.00 H new ATOM 0 HB1 ALA A 80 11.649 11.800 1.079 1.00 2.56 H new ATOM 0 HB2 ALA A 80 11.566 12.911 -0.309 1.00 2.56 H new ATOM 0 HB3 ALA A 80 10.320 12.978 0.960 1.00 2.56 H new ATOM 1252 N GLU A 81 8.085 10.588 0.842 1.00 1.45 N ATOM 1253 CA GLU A 81 7.267 9.719 1.706 1.00 1.22 C ATOM 1254 C GLU A 81 6.993 8.364 1.035 1.00 0.89 C ATOM 1255 O GLU A 81 7.088 7.320 1.685 1.00 0.81 O ATOM 1256 CB GLU A 81 5.934 10.384 2.115 1.00 1.37 C ATOM 1257 CG GLU A 81 6.097 11.610 3.029 1.00 1.76 C ATOM 1258 CD GLU A 81 4.743 12.139 3.542 1.00 1.82 C ATOM 1259 OE1 GLU A 81 3.831 12.397 2.721 1.00 1.93 O ATOM 1260 OE2 GLU A 81 4.596 12.341 4.775 1.00 3.28 O ATOM 0 H GLU A 81 7.572 11.380 0.454 1.00 1.45 H new ATOM 0 HA GLU A 81 7.848 9.553 2.613 1.00 1.22 H new ATOM 0 HB2 GLU A 81 5.399 10.685 1.214 1.00 1.37 H new ATOM 0 HB3 GLU A 81 5.313 9.646 2.623 1.00 1.37 H new ATOM 0 HG2 GLU A 81 6.727 11.346 3.878 1.00 1.76 H new ATOM 0 HG3 GLU A 81 6.611 12.401 2.484 1.00 1.76 H new ATOM 1267 N VAL A 82 6.737 8.363 -0.280 1.00 0.89 N ATOM 1268 CA VAL A 82 6.668 7.128 -1.085 1.00 0.93 C ATOM 1269 C VAL A 82 8.014 6.398 -1.037 1.00 1.01 C ATOM 1270 O VAL A 82 8.042 5.218 -0.700 1.00 0.95 O ATOM 1271 CB VAL A 82 6.248 7.425 -2.542 1.00 1.28 C ATOM 1272 CG1 VAL A 82 6.123 6.142 -3.377 1.00 1.43 C ATOM 1273 CG2 VAL A 82 4.891 8.137 -2.604 1.00 1.39 C ATOM 0 H VAL A 82 6.572 9.214 -0.818 1.00 0.89 H new ATOM 0 HA VAL A 82 5.903 6.481 -0.656 1.00 0.93 H new ATOM 0 HB VAL A 82 7.034 8.062 -2.948 1.00 1.28 H new ATOM 0 HG11 VAL A 82 5.826 6.397 -4.394 1.00 1.43 H new ATOM 0 HG12 VAL A 82 7.083 5.627 -3.398 1.00 1.43 H new ATOM 0 HG13 VAL A 82 5.371 5.490 -2.932 1.00 1.43 H new ATOM 0 HG21 VAL A 82 4.628 8.330 -3.644 1.00 1.39 H new ATOM 0 HG22 VAL A 82 4.128 7.506 -2.148 1.00 1.39 H new ATOM 0 HG23 VAL A 82 4.951 9.082 -2.064 1.00 1.39 H new ATOM 1283 N SER A 83 9.139 7.094 -1.249 1.00 1.23 N ATOM 1284 CA SER A 83 10.474 6.477 -1.155 1.00 1.40 C ATOM 1285 C SER A 83 10.745 5.858 0.220 1.00 1.15 C ATOM 1286 O SER A 83 11.285 4.753 0.281 1.00 1.08 O ATOM 1287 CB SER A 83 11.563 7.493 -1.517 1.00 1.81 C ATOM 1288 OG SER A 83 12.848 7.040 -1.124 1.00 3.27 O ATOM 0 H SER A 83 9.154 8.086 -1.487 1.00 1.23 H new ATOM 0 HA SER A 83 10.496 5.660 -1.876 1.00 1.40 H new ATOM 0 HB2 SER A 83 11.552 7.672 -2.592 1.00 1.81 H new ATOM 0 HB3 SER A 83 11.348 8.446 -1.033 1.00 1.81 H new ATOM 0 HG SER A 83 13.520 7.709 -1.370 1.00 3.27 H new ATOM 1294 N ALA A 84 10.328 6.496 1.318 1.00 1.12 N ATOM 1295 CA ALA A 84 10.484 5.939 2.663 1.00 1.08 C ATOM 1296 C ALA A 84 9.684 4.634 2.838 1.00 0.82 C ATOM 1297 O ALA A 84 10.206 3.653 3.368 1.00 0.81 O ATOM 1298 CB ALA A 84 10.076 7.007 3.682 1.00 1.37 C ATOM 0 H ALA A 84 9.875 7.410 1.299 1.00 1.12 H new ATOM 0 HA ALA A 84 11.527 5.669 2.826 1.00 1.08 H new ATOM 0 HB1 ALA A 84 10.186 6.609 4.691 1.00 1.37 H new ATOM 0 HB2 ALA A 84 10.714 7.883 3.566 1.00 1.37 H new ATOM 0 HB3 ALA A 84 9.037 7.291 3.515 1.00 1.37 H new ATOM 1304 N LEU A 85 8.446 4.575 2.329 1.00 0.75 N ATOM 1305 CA LEU A 85 7.637 3.347 2.302 1.00 0.91 C ATOM 1306 C LEU A 85 8.252 2.250 1.416 1.00 1.00 C ATOM 1307 O LEU A 85 8.303 1.094 1.824 1.00 1.29 O ATOM 1308 CB LEU A 85 6.216 3.698 1.815 1.00 1.13 C ATOM 1309 CG LEU A 85 5.309 4.338 2.877 1.00 0.90 C ATOM 1310 CD1 LEU A 85 4.039 4.847 2.189 1.00 2.24 C ATOM 1311 CD2 LEU A 85 4.891 3.352 3.976 1.00 1.98 C ATOM 0 H LEU A 85 7.974 5.382 1.922 1.00 0.75 H new ATOM 0 HA LEU A 85 7.604 2.942 3.314 1.00 0.91 H new ATOM 0 HB2 LEU A 85 6.296 4.379 0.968 1.00 1.13 H new ATOM 0 HB3 LEU A 85 5.738 2.789 1.449 1.00 1.13 H new ATOM 0 HG LEU A 85 5.875 5.142 3.347 1.00 0.90 H new ATOM 0 HD11 LEU A 85 3.383 5.305 2.929 1.00 2.24 H new ATOM 0 HD12 LEU A 85 4.306 5.586 1.434 1.00 2.24 H new ATOM 0 HD13 LEU A 85 3.523 4.013 1.714 1.00 2.24 H new ATOM 0 HD21 LEU A 85 4.252 3.861 4.697 1.00 1.98 H new ATOM 0 HD22 LEU A 85 4.345 2.520 3.530 1.00 1.98 H new ATOM 0 HD23 LEU A 85 5.779 2.973 4.482 1.00 1.98 H new ATOM 1323 N ILE A 86 8.747 2.598 0.230 1.00 0.92 N ATOM 1324 CA ILE A 86 9.299 1.670 -0.776 1.00 1.16 C ATOM 1325 C ILE A 86 10.634 1.090 -0.296 1.00 1.29 C ATOM 1326 O ILE A 86 10.909 -0.098 -0.476 1.00 1.68 O ATOM 1327 CB ILE A 86 9.388 2.399 -2.144 1.00 1.23 C ATOM 1328 CG1 ILE A 86 8.104 2.176 -2.973 1.00 1.30 C ATOM 1329 CG2 ILE A 86 10.572 1.961 -3.025 1.00 1.74 C ATOM 1330 CD1 ILE A 86 6.769 2.484 -2.280 1.00 1.21 C ATOM 0 H ILE A 86 8.779 3.570 -0.076 1.00 0.92 H new ATOM 0 HA ILE A 86 8.639 0.813 -0.911 1.00 1.16 H new ATOM 0 HB ILE A 86 9.527 3.447 -1.878 1.00 1.23 H new ATOM 0 HG12 ILE A 86 8.169 2.789 -3.872 1.00 1.30 H new ATOM 0 HG13 ILE A 86 8.086 1.136 -3.298 1.00 1.30 H new ATOM 0 HG21 ILE A 86 10.556 2.521 -3.960 1.00 1.74 H new ATOM 0 HG22 ILE A 86 11.507 2.156 -2.501 1.00 1.74 H new ATOM 0 HG23 ILE A 86 10.492 0.895 -3.239 1.00 1.74 H new ATOM 0 HD11 ILE A 86 5.948 2.286 -2.969 1.00 1.21 H new ATOM 0 HD12 ILE A 86 6.663 1.853 -1.398 1.00 1.21 H new ATOM 0 HD13 ILE A 86 6.748 3.532 -1.981 1.00 1.21 H new ATOM 1342 N SER A 87 11.441 1.920 0.365 1.00 1.05 N ATOM 1343 CA SER A 87 12.709 1.524 0.980 1.00 1.19 C ATOM 1344 C SER A 87 12.492 0.712 2.262 1.00 1.32 C ATOM 1345 O SER A 87 13.257 -0.221 2.514 1.00 1.55 O ATOM 1346 CB SER A 87 13.582 2.755 1.263 1.00 1.07 C ATOM 1347 OG SER A 87 13.677 3.592 0.121 1.00 1.76 O ATOM 0 H SER A 87 11.227 2.909 0.491 1.00 1.05 H new ATOM 0 HA SER A 87 13.229 0.882 0.269 1.00 1.19 H new ATOM 0 HB2 SER A 87 13.161 3.318 2.096 1.00 1.07 H new ATOM 0 HB3 SER A 87 14.579 2.435 1.566 1.00 1.07 H new ATOM 0 HG SER A 87 13.013 4.310 0.186 1.00 1.76 H new ATOM 1353 N TYR A 88 11.451 1.011 3.058 1.00 1.27 N ATOM 1354 CA TYR A 88 11.193 0.269 4.305 1.00 1.48 C ATOM 1355 C TYR A 88 10.471 -1.069 4.104 1.00 1.34 C ATOM 1356 O TYR A 88 10.845 -2.057 4.728 1.00 1.46 O ATOM 1357 CB TYR A 88 10.411 1.163 5.264 1.00 1.59 C ATOM 1358 CG TYR A 88 10.150 0.596 6.648 1.00 1.87 C ATOM 1359 CD1 TYR A 88 11.219 0.143 7.450 1.00 3.58 C ATOM 1360 CD2 TYR A 88 8.837 0.588 7.164 1.00 1.42 C ATOM 1361 CE1 TYR A 88 10.982 -0.287 8.771 1.00 3.91 C ATOM 1362 CE2 TYR A 88 8.600 0.181 8.491 1.00 1.45 C ATOM 1363 CZ TYR A 88 9.675 -0.241 9.300 1.00 2.46 C ATOM 1364 OH TYR A 88 9.455 -0.556 10.601 1.00 2.80 O ATOM 0 H TYR A 88 10.780 1.754 2.863 1.00 1.27 H new ATOM 0 HA TYR A 88 12.165 0.008 4.725 1.00 1.48 H new ATOM 0 HB2 TYR A 88 10.953 2.102 5.375 1.00 1.59 H new ATOM 0 HB3 TYR A 88 9.451 1.401 4.805 1.00 1.59 H new ATOM 0 HD1 TYR A 88 12.222 0.126 7.050 1.00 3.58 H new ATOM 0 HD2 TYR A 88 8.011 0.895 6.539 1.00 1.42 H new ATOM 0 HE1 TYR A 88 11.799 -0.651 9.377 1.00 3.91 H new ATOM 0 HE2 TYR A 88 7.596 0.192 8.889 1.00 1.45 H new ATOM 0 HH TYR A 88 8.752 0.022 10.963 1.00 2.80 H new ATOM 1374 N LEU A 89 9.468 -1.148 3.221 1.00 1.12 N ATOM 1375 CA LEU A 89 8.680 -2.376 3.034 1.00 0.97 C ATOM 1376 C LEU A 89 9.494 -3.500 2.372 1.00 1.07 C ATOM 1377 O LEU A 89 9.245 -4.670 2.668 1.00 1.28 O ATOM 1378 CB LEU A 89 7.372 -2.063 2.279 1.00 0.78 C ATOM 1379 CG LEU A 89 6.183 -1.652 3.179 1.00 1.00 C ATOM 1380 CD1 LEU A 89 6.479 -0.581 4.233 1.00 2.12 C ATOM 1381 CD2 LEU A 89 5.042 -1.129 2.302 1.00 1.56 C ATOM 0 H LEU A 89 9.181 -0.374 2.622 1.00 1.12 H new ATOM 0 HA LEU A 89 8.410 -2.757 4.019 1.00 0.97 H new ATOM 0 HB2 LEU A 89 7.564 -1.261 1.567 1.00 0.78 H new ATOM 0 HB3 LEU A 89 7.084 -2.941 1.701 1.00 0.78 H new ATOM 0 HG LEU A 89 5.929 -2.560 3.725 1.00 1.00 H new ATOM 0 HD11 LEU A 89 5.574 -0.373 4.804 1.00 2.12 H new ATOM 0 HD12 LEU A 89 7.259 -0.938 4.906 1.00 2.12 H new ATOM 0 HD13 LEU A 89 6.815 0.331 3.740 1.00 2.12 H new ATOM 0 HD21 LEU A 89 4.202 -0.838 2.933 1.00 1.56 H new ATOM 0 HD22 LEU A 89 5.386 -0.264 1.735 1.00 1.56 H new ATOM 0 HD23 LEU A 89 4.724 -1.912 1.613 1.00 1.56 H new ATOM 1393 N GLU A 90 10.507 -3.186 1.556 1.00 1.06 N ATOM 1394 CA GLU A 90 11.515 -4.171 1.130 1.00 1.16 C ATOM 1395 C GLU A 90 12.338 -4.703 2.322 1.00 1.24 C ATOM 1396 O GLU A 90 12.614 -5.901 2.407 1.00 1.38 O ATOM 1397 CB GLU A 90 12.429 -3.557 0.049 1.00 1.23 C ATOM 1398 CG GLU A 90 13.427 -4.602 -0.470 1.00 1.58 C ATOM 1399 CD GLU A 90 14.261 -4.184 -1.688 1.00 1.93 C ATOM 1400 OE1 GLU A 90 14.961 -3.140 -1.649 1.00 2.52 O ATOM 1401 OE2 GLU A 90 14.303 -4.974 -2.663 1.00 2.98 O ATOM 0 H GLU A 90 10.653 -2.252 1.174 1.00 1.06 H new ATOM 0 HA GLU A 90 10.992 -5.027 0.702 1.00 1.16 H new ATOM 0 HB2 GLU A 90 11.824 -3.182 -0.777 1.00 1.23 H new ATOM 0 HB3 GLU A 90 12.968 -2.704 0.462 1.00 1.23 H new ATOM 0 HG2 GLU A 90 14.108 -4.860 0.341 1.00 1.58 H new ATOM 0 HG3 GLU A 90 12.876 -5.508 -0.724 1.00 1.58 H new ATOM 1408 N GLU A 91 12.691 -3.831 3.267 1.00 1.22 N ATOM 1409 CA GLU A 91 13.514 -4.144 4.440 1.00 1.33 C ATOM 1410 C GLU A 91 12.766 -4.975 5.497 1.00 1.56 C ATOM 1411 O GLU A 91 13.315 -5.937 6.037 1.00 1.79 O ATOM 1412 CB GLU A 91 14.031 -2.819 5.036 1.00 1.35 C ATOM 1413 CG GLU A 91 15.550 -2.805 5.251 1.00 2.11 C ATOM 1414 CD GLU A 91 15.921 -2.620 6.720 1.00 3.19 C ATOM 1415 OE1 GLU A 91 15.504 -3.449 7.568 1.00 4.50 O ATOM 1416 OE2 GLU A 91 16.705 -1.689 7.018 1.00 3.51 O ATOM 0 H GLU A 91 12.403 -2.853 3.238 1.00 1.22 H new ATOM 0 HA GLU A 91 14.348 -4.768 4.119 1.00 1.33 H new ATOM 0 HB2 GLU A 91 13.757 -1.998 4.373 1.00 1.35 H new ATOM 0 HB3 GLU A 91 13.534 -2.638 5.989 1.00 1.35 H new ATOM 0 HG2 GLU A 91 15.976 -3.739 4.885 1.00 2.11 H new ATOM 0 HG3 GLU A 91 15.992 -2.001 4.662 1.00 2.11 H new ATOM 1423 N GLU A 92 11.493 -4.659 5.746 1.00 1.54 N ATOM 1424 CA GLU A 92 10.584 -5.462 6.573 1.00 1.84 C ATOM 1425 C GLU A 92 10.276 -6.816 5.903 1.00 2.05 C ATOM 1426 O GLU A 92 10.203 -7.841 6.576 1.00 2.38 O ATOM 1427 CB GLU A 92 9.289 -4.666 6.818 1.00 1.86 C ATOM 1428 CG GLU A 92 9.470 -3.431 7.721 1.00 2.23 C ATOM 1429 CD GLU A 92 9.456 -3.776 9.216 1.00 2.44 C ATOM 1430 OE1 GLU A 92 8.381 -4.098 9.771 1.00 3.17 O ATOM 1431 OE2 GLU A 92 10.531 -3.743 9.863 1.00 2.98 O ATOM 0 H GLU A 92 11.054 -3.819 5.370 1.00 1.54 H new ATOM 0 HA GLU A 92 11.064 -5.674 7.528 1.00 1.84 H new ATOM 0 HB2 GLU A 92 8.886 -4.344 5.858 1.00 1.86 H new ATOM 0 HB3 GLU A 92 8.549 -5.327 7.269 1.00 1.86 H new ATOM 0 HG2 GLU A 92 10.413 -2.943 7.475 1.00 2.23 H new ATOM 0 HG3 GLU A 92 8.676 -2.715 7.511 1.00 2.23 H new ATOM 1438 N THR A 93 10.187 -6.858 4.564 1.00 1.96 N ATOM 1439 CA THR A 93 10.078 -8.121 3.804 1.00 2.21 C ATOM 1440 C THR A 93 11.338 -8.984 3.963 1.00 2.29 C ATOM 1441 O THR A 93 11.225 -10.199 4.114 1.00 2.61 O ATOM 1442 CB THR A 93 9.768 -7.859 2.321 1.00 2.18 C ATOM 1443 OG1 THR A 93 8.542 -7.168 2.208 1.00 2.50 O ATOM 1444 CG2 THR A 93 9.628 -9.137 1.496 1.00 2.43 C ATOM 0 H THR A 93 10.188 -6.024 3.977 1.00 1.96 H new ATOM 0 HA THR A 93 9.241 -8.680 4.223 1.00 2.21 H new ATOM 0 HB THR A 93 10.611 -7.284 1.938 1.00 2.18 H new ATOM 0 HG1 THR A 93 8.635 -6.271 2.593 1.00 2.50 H new ATOM 0 HG21 THR A 93 9.410 -8.879 0.460 1.00 2.43 H new ATOM 0 HG22 THR A 93 10.559 -9.703 1.541 1.00 2.43 H new ATOM 0 HG23 THR A 93 8.816 -9.742 1.898 1.00 2.43 H new ATOM 1452 N ALA A 94 12.526 -8.380 4.042 1.00 2.03 N ATOM 1453 CA ALA A 94 13.792 -9.050 4.383 1.00 2.07 C ATOM 1454 C ALA A 94 13.922 -9.502 5.859 1.00 2.32 C ATOM 1455 O ALA A 94 14.950 -10.067 6.249 1.00 2.22 O ATOM 1456 CB ALA A 94 14.956 -8.157 3.954 1.00 1.85 C ATOM 0 H ALA A 94 12.642 -7.382 3.866 1.00 2.03 H new ATOM 0 HA ALA A 94 13.810 -9.989 3.830 1.00 2.07 H new ATOM 0 HB1 ALA A 94 15.899 -8.644 4.202 1.00 1.85 H new ATOM 0 HB2 ALA A 94 14.907 -7.987 2.878 1.00 1.85 H new ATOM 0 HB3 ALA A 94 14.893 -7.202 4.475 1.00 1.85 H new