USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 630 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 17 SER OG : rot 80:sc= -0.946 USER MOD Set 1.2: A 40 TYR OH : rot -139:sc= 0.314 USER MOD Set 1.3: A 48 THR OG1 : rot 63:sc= 1.22 USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.207) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0751 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 44:sc= 0.0744 USER MOD Single : A 6 THR OG1 : rot -160:sc= 0.432 USER MOD Single : A 7 THR OG1 : rot -173:sc= 1.04 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -50:sc= 1.3 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -165:sc= 0 (180deg=-0.236) USER MOD Single : A 54 SER OG : rot 77:sc= 0.597 USER MOD Single : A 56 TYR OH : rot 90:sc= -0.0477 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -48:sc= -0.148 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.661 F(o=-1.3,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.711 11.979 1.718 1.00 5.55 N ATOM 2 CA MET A 1 -11.965 10.733 0.991 1.00 4.81 C ATOM 3 C MET A 1 -11.683 10.936 -0.485 1.00 4.08 C ATOM 4 O MET A 1 -11.861 12.038 -1.006 1.00 4.33 O ATOM 5 CB MET A 1 -13.425 10.274 1.215 1.00 5.00 C ATOM 6 CG MET A 1 -13.845 9.033 0.430 1.00 5.78 C ATOM 7 SD MET A 1 -12.831 7.585 0.775 1.00 6.34 S ATOM 8 CE MET A 1 -13.584 6.393 -0.335 1.00 6.63 C ATOM 0 H1 MET A 1 -12.521 12.192 2.335 1.00 5.55 H new ATOM 0 H2 MET A 1 -10.853 11.875 2.296 1.00 5.55 H new ATOM 0 H3 MET A 1 -11.579 12.756 1.040 1.00 5.55 H new ATOM 0 HA MET A 1 -11.303 9.954 1.368 1.00 4.81 H new ATOM 0 HB2 MET A 1 -13.568 10.078 2.278 1.00 5.00 H new ATOM 0 HB3 MET A 1 -14.092 11.095 0.950 1.00 5.00 H new ATOM 0 HG2 MET A 1 -14.885 8.802 0.661 1.00 5.78 H new ATOM 0 HG3 MET A 1 -13.797 9.254 -0.636 1.00 5.78 H new ATOM 0 HE1 MET A 1 -13.220 5.393 -0.097 1.00 6.63 H new ATOM 0 HE2 MET A 1 -14.667 6.422 -0.219 1.00 6.63 H new ATOM 0 HE3 MET A 1 -13.322 6.638 -1.364 1.00 6.63 H new ATOM 20 N ALA A 2 -11.231 9.895 -1.146 1.00 3.63 N ATOM 21 CA ALA A 2 -10.962 9.927 -2.553 1.00 3.34 C ATOM 22 C ALA A 2 -11.329 8.584 -3.139 1.00 2.29 C ATOM 23 O ALA A 2 -11.069 7.542 -2.524 1.00 2.60 O ATOM 24 CB ALA A 2 -9.493 10.249 -2.824 1.00 4.09 C ATOM 0 H ALA A 2 -11.039 8.993 -0.709 1.00 3.63 H new ATOM 0 HA ALA A 2 -11.557 10.712 -3.020 1.00 3.34 H new ATOM 0 HB1 ALA A 2 -9.317 10.267 -3.900 1.00 4.09 H new ATOM 0 HB2 ALA A 2 -9.250 11.223 -2.400 1.00 4.09 H new ATOM 0 HB3 ALA A 2 -8.863 9.487 -2.366 1.00 4.09 H new ATOM 30 N THR A 3 -11.980 8.603 -4.268 1.00 1.66 N ATOM 31 CA THR A 3 -12.353 7.404 -4.953 1.00 1.24 C ATOM 32 C THR A 3 -11.128 6.757 -5.583 1.00 1.06 C ATOM 33 O THR A 3 -10.534 7.283 -6.554 1.00 1.81 O ATOM 34 CB THR A 3 -13.435 7.742 -5.995 1.00 2.06 C ATOM 35 OG1 THR A 3 -13.090 8.972 -6.672 1.00 2.62 O ATOM 36 CG2 THR A 3 -14.793 7.896 -5.324 1.00 2.77 C ATOM 0 H THR A 3 -12.268 9.460 -4.740 1.00 1.66 H new ATOM 0 HA THR A 3 -12.769 6.680 -4.252 1.00 1.24 H new ATOM 0 HB THR A 3 -13.490 6.927 -6.717 1.00 2.06 H new ATOM 0 HG1 THR A 3 -12.138 8.963 -6.902 1.00 2.62 H new ATOM 0 HG21 THR A 3 -15.545 8.135 -6.076 1.00 2.77 H new ATOM 0 HG22 THR A 3 -15.061 6.964 -4.826 1.00 2.77 H new ATOM 0 HG23 THR A 3 -14.747 8.700 -4.589 1.00 2.77 H new ATOM 44 N LEU A 4 -10.716 5.661 -4.953 1.00 0.89 N ATOM 45 CA LEU A 4 -9.577 4.862 -5.330 1.00 0.69 C ATOM 46 C LEU A 4 -8.258 5.541 -5.016 1.00 0.63 C ATOM 47 O LEU A 4 -8.224 6.691 -4.587 1.00 0.87 O ATOM 48 CB LEU A 4 -9.639 4.414 -6.776 1.00 0.83 C ATOM 49 CG LEU A 4 -9.680 2.922 -6.958 1.00 1.14 C ATOM 50 CD1 LEU A 4 -10.955 2.349 -6.360 1.00 1.27 C ATOM 51 CD2 LEU A 4 -9.545 2.550 -8.419 1.00 1.51 C ATOM 0 H LEU A 4 -11.196 5.297 -4.129 1.00 0.89 H new ATOM 0 HA LEU A 4 -9.626 3.965 -4.713 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -10.523 4.850 -7.242 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.772 4.810 -7.305 1.00 0.83 H new ATOM 0 HG LEU A 4 -8.832 2.488 -6.429 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -10.969 1.268 -6.500 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -10.992 2.577 -5.295 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -11.820 2.790 -6.856 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -9.578 1.465 -8.523 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -10.364 2.994 -8.985 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -8.595 2.923 -8.803 1.00 1.51 H new ATOM 63 N LEU A 5 -7.183 4.823 -5.214 1.00 0.49 N ATOM 64 CA LEU A 5 -5.863 5.333 -4.945 1.00 0.44 C ATOM 65 C LEU A 5 -5.029 5.163 -6.165 1.00 0.39 C ATOM 66 O LEU A 5 -5.240 4.220 -6.937 1.00 0.42 O ATOM 67 CB LEU A 5 -5.190 4.573 -3.797 1.00 0.47 C ATOM 68 CG LEU A 5 -5.898 4.594 -2.457 1.00 0.53 C ATOM 69 CD1 LEU A 5 -5.134 3.777 -1.437 1.00 0.80 C ATOM 70 CD2 LEU A 5 -6.086 6.006 -1.966 1.00 0.79 C ATOM 0 H LEU A 5 -7.198 3.866 -5.567 1.00 0.49 H new ATOM 0 HA LEU A 5 -5.954 6.382 -4.664 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -5.070 3.533 -4.102 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -4.189 4.982 -3.659 1.00 0.47 H new ATOM 0 HG LEU A 5 -6.883 4.148 -2.591 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -5.659 3.805 -0.482 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -5.059 2.745 -1.780 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -4.134 4.192 -1.314 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -6.596 5.991 -1.003 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -5.113 6.485 -1.854 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -6.685 6.565 -2.685 1.00 0.79 H new ATOM 82 N THR A 6 -4.134 6.060 -6.364 1.00 0.38 N ATOM 83 CA THR A 6 -3.186 5.981 -7.424 1.00 0.40 C ATOM 84 C THR A 6 -1.893 5.456 -6.836 1.00 0.34 C ATOM 85 O THR A 6 -1.801 5.319 -5.601 1.00 0.30 O ATOM 86 CB THR A 6 -2.936 7.384 -7.990 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.605 8.260 -6.884 1.00 0.56 O ATOM 88 CG2 THR A 6 -4.170 7.909 -8.707 1.00 0.63 C ATOM 0 H THR A 6 -4.034 6.892 -5.782 1.00 0.38 H new ATOM 0 HA THR A 6 -3.552 5.331 -8.219 1.00 0.40 H new ATOM 0 HB THR A 6 -2.121 7.346 -8.712 1.00 0.51 H new ATOM 0 HG1 THR A 6 -2.750 9.192 -7.150 1.00 0.56 H new ATOM 0 HG21 THR A 6 -3.967 8.905 -9.099 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.425 7.241 -9.529 1.00 0.63 H new ATOM 0 HG23 THR A 6 -5.004 7.958 -8.007 1.00 0.63 H new ATOM 96 N THR A 7 -0.906 5.161 -7.667 1.00 0.37 N ATOM 97 CA THR A 7 0.408 4.812 -7.169 1.00 0.37 C ATOM 98 C THR A 7 0.957 5.977 -6.321 1.00 0.35 C ATOM 99 O THR A 7 1.670 5.776 -5.352 1.00 0.34 O ATOM 100 CB THR A 7 1.392 4.502 -8.316 1.00 0.48 C ATOM 101 OG1 THR A 7 0.793 3.564 -9.227 1.00 0.61 O ATOM 102 CG2 THR A 7 2.668 3.892 -7.755 1.00 0.56 C ATOM 0 H THR A 7 -0.992 5.157 -8.683 1.00 0.37 H new ATOM 0 HA THR A 7 0.310 3.912 -6.561 1.00 0.37 H new ATOM 0 HB THR A 7 1.627 5.430 -8.837 1.00 0.48 H new ATOM 0 HG1 THR A 7 1.454 3.290 -9.896 1.00 0.61 H new ATOM 0 HG21 THR A 7 3.357 3.676 -8.571 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.133 4.594 -7.063 1.00 0.56 H new ATOM 0 HG23 THR A 7 2.429 2.968 -7.228 1.00 0.56 H new ATOM 110 N ASP A 8 0.558 7.193 -6.695 1.00 0.43 N ATOM 111 CA ASP A 8 0.986 8.414 -6.025 1.00 0.50 C ATOM 112 C ASP A 8 0.460 8.489 -4.608 1.00 0.44 C ATOM 113 O ASP A 8 1.232 8.726 -3.665 1.00 0.46 O ATOM 114 CB ASP A 8 0.562 9.665 -6.808 1.00 0.67 C ATOM 115 CG ASP A 8 1.194 9.747 -8.175 1.00 1.08 C ATOM 116 OD1 ASP A 8 2.416 10.015 -8.271 1.00 1.26 O ATOM 117 OD2 ASP A 8 0.488 9.548 -9.179 1.00 1.65 O ATOM 0 H ASP A 8 -0.076 7.356 -7.477 1.00 0.43 H new ATOM 0 HA ASP A 8 2.075 8.383 -5.985 1.00 0.50 H new ATOM 0 HB2 ASP A 8 -0.523 9.670 -6.914 1.00 0.67 H new ATOM 0 HB3 ASP A 8 0.830 10.553 -6.236 1.00 0.67 H new ATOM 122 N ASP A 9 -0.843 8.285 -4.441 1.00 0.42 N ATOM 123 CA ASP A 9 -1.435 8.331 -3.098 1.00 0.42 C ATOM 124 C ASP A 9 -0.950 7.150 -2.279 1.00 0.40 C ATOM 125 O ASP A 9 -0.629 7.285 -1.094 1.00 0.45 O ATOM 126 CB ASP A 9 -2.964 8.318 -3.116 1.00 0.46 C ATOM 127 CG ASP A 9 -3.522 8.651 -1.742 1.00 0.84 C ATOM 128 OD1 ASP A 9 -3.736 7.732 -0.926 1.00 1.41 O ATOM 129 OD2 ASP A 9 -3.772 9.820 -1.460 1.00 0.86 O ATOM 0 H ASP A 9 -1.501 8.090 -5.196 1.00 0.42 H new ATOM 0 HA ASP A 9 -1.116 9.274 -2.653 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -3.330 9.039 -3.847 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -3.320 7.337 -3.430 1.00 0.46 H new ATOM 134 N LEU A 10 -0.822 6.005 -2.951 1.00 0.37 N ATOM 135 CA LEU A 10 -0.399 4.769 -2.315 1.00 0.36 C ATOM 136 C LEU A 10 1.010 4.948 -1.775 1.00 0.36 C ATOM 137 O LEU A 10 1.303 4.574 -0.642 1.00 0.41 O ATOM 138 CB LEU A 10 -0.390 3.631 -3.338 1.00 0.35 C ATOM 139 CG LEU A 10 -0.230 2.228 -2.774 1.00 0.37 C ATOM 140 CD1 LEU A 10 -1.510 1.788 -2.079 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.180 1.247 -3.860 1.00 0.37 C ATOM 0 H LEU A 10 -1.010 5.914 -3.949 1.00 0.37 H new ATOM 0 HA LEU A 10 -1.090 4.527 -1.507 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -1.321 3.670 -3.903 1.00 0.35 H new ATOM 0 HB3 LEU A 10 0.420 3.811 -4.045 1.00 0.35 H new ATOM 0 HG LEU A 10 0.568 2.242 -2.032 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.380 0.782 -1.680 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -1.736 2.475 -1.263 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -2.332 1.791 -2.795 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.287 0.251 -3.429 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.583 1.225 -4.638 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.130 1.560 -4.293 1.00 0.37 H new ATOM 153 N ARG A 11 1.853 5.584 -2.594 1.00 0.36 N ATOM 154 CA ARG A 11 3.244 5.890 -2.274 1.00 0.38 C ATOM 155 C ARG A 11 3.357 6.566 -0.926 1.00 0.39 C ATOM 156 O ARG A 11 4.265 6.256 -0.165 1.00 0.41 O ATOM 157 CB ARG A 11 3.846 6.776 -3.371 1.00 0.42 C ATOM 158 CG ARG A 11 5.302 7.171 -3.182 1.00 0.52 C ATOM 159 CD ARG A 11 5.768 8.049 -4.338 1.00 0.71 C ATOM 160 NE ARG A 11 5.002 9.306 -4.429 1.00 1.21 N ATOM 161 CZ ARG A 11 4.314 9.727 -5.515 1.00 1.60 C ATOM 162 NH1 ARG A 11 4.241 8.971 -6.612 1.00 1.92 N ATOM 163 NH2 ARG A 11 3.701 10.902 -5.496 1.00 2.46 N ATOM 0 H ARG A 11 1.576 5.907 -3.521 1.00 0.36 H new ATOM 0 HA ARG A 11 3.801 4.954 -2.224 1.00 0.38 H new ATOM 0 HB2 ARG A 11 3.752 6.255 -4.324 1.00 0.42 H new ATOM 0 HB3 ARG A 11 3.250 7.685 -3.444 1.00 0.42 H new ATOM 0 HG2 ARG A 11 5.421 7.706 -2.240 1.00 0.52 H new ATOM 0 HG3 ARG A 11 5.923 6.277 -3.122 1.00 0.52 H new ATOM 0 HD2 ARG A 11 6.826 8.279 -4.213 1.00 0.71 H new ATOM 0 HD3 ARG A 11 5.670 7.497 -5.273 1.00 0.71 H new ATOM 0 HE ARG A 11 4.990 9.907 -3.605 1.00 1.21 H new ATOM 0 HH11 ARG A 11 4.707 8.064 -6.638 1.00 1.92 H new ATOM 0 HH12 ARG A 11 3.719 9.300 -7.424 1.00 1.92 H new ATOM 0 HH21 ARG A 11 3.748 11.488 -4.663 1.00 2.46 H new ATOM 0 HH22 ARG A 11 3.182 11.220 -6.315 1.00 2.46 H new ATOM 177 N ARG A 12 2.396 7.447 -0.614 1.00 0.42 N ATOM 178 CA ARG A 12 2.393 8.140 0.663 1.00 0.47 C ATOM 179 C ARG A 12 2.408 7.153 1.807 1.00 0.43 C ATOM 180 O ARG A 12 3.283 7.210 2.650 1.00 0.48 O ATOM 181 CB ARG A 12 1.192 9.087 0.827 1.00 0.60 C ATOM 182 CG ARG A 12 1.148 9.725 2.215 1.00 1.18 C ATOM 183 CD ARG A 12 -0.087 10.559 2.446 1.00 1.47 C ATOM 184 NE ARG A 12 -0.141 11.062 3.836 1.00 2.25 N ATOM 185 CZ ARG A 12 -0.855 12.120 4.235 1.00 2.83 C ATOM 186 NH1 ARG A 12 -1.567 12.808 3.355 1.00 2.60 N ATOM 187 NH2 ARG A 12 -0.840 12.500 5.511 1.00 3.93 N ATOM 0 H ARG A 12 1.620 7.689 -1.230 1.00 0.42 H new ATOM 0 HA ARG A 12 3.299 8.746 0.681 1.00 0.47 H new ATOM 0 HB2 ARG A 12 1.242 9.870 0.070 1.00 0.60 H new ATOM 0 HB3 ARG A 12 0.269 8.534 0.653 1.00 0.60 H new ATOM 0 HG2 ARG A 12 1.195 8.940 2.970 1.00 1.18 H new ATOM 0 HG3 ARG A 12 2.031 10.350 2.349 1.00 1.18 H new ATOM 0 HD2 ARG A 12 -0.096 11.399 1.752 1.00 1.47 H new ATOM 0 HD3 ARG A 12 -0.976 9.963 2.237 1.00 1.47 H new ATOM 0 HE ARG A 12 0.405 10.566 4.540 1.00 2.25 H new ATOM 0 HH11 ARG A 12 -1.571 12.531 2.373 1.00 2.60 H new ATOM 0 HH12 ARG A 12 -2.112 13.615 3.659 1.00 2.60 H new ATOM 0 HH21 ARG A 12 -0.282 11.983 6.190 1.00 3.93 H new ATOM 0 HH22 ARG A 12 -1.387 13.308 5.809 1.00 3.93 H new ATOM 201 N ALA A 13 1.491 6.198 1.772 1.00 0.40 N ATOM 202 CA ALA A 13 1.310 5.246 2.861 1.00 0.42 C ATOM 203 C ALA A 13 2.548 4.390 3.078 1.00 0.41 C ATOM 204 O ALA A 13 2.904 4.075 4.230 1.00 0.50 O ATOM 205 CB ALA A 13 0.101 4.382 2.606 1.00 0.45 C ATOM 0 H ALA A 13 0.851 6.060 0.990 1.00 0.40 H new ATOM 0 HA ALA A 13 1.149 5.817 3.775 1.00 0.42 H new ATOM 0 HB1 ALA A 13 -0.021 3.676 3.427 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -0.786 5.011 2.532 1.00 0.45 H new ATOM 0 HB3 ALA A 13 0.236 3.834 1.674 1.00 0.45 H new ATOM 211 N LEU A 14 3.210 4.027 1.988 1.00 0.38 N ATOM 212 CA LEU A 14 4.440 3.274 2.074 1.00 0.46 C ATOM 213 C LEU A 14 5.557 4.105 2.708 1.00 0.54 C ATOM 214 O LEU A 14 6.430 3.567 3.361 1.00 0.69 O ATOM 215 CB LEU A 14 4.869 2.703 0.709 1.00 0.48 C ATOM 216 CG LEU A 14 4.061 1.503 0.143 1.00 0.54 C ATOM 217 CD1 LEU A 14 4.070 0.321 1.084 1.00 1.21 C ATOM 218 CD2 LEU A 14 2.637 1.866 -0.226 1.00 1.44 C ATOM 0 H LEU A 14 2.911 4.245 1.037 1.00 0.38 H new ATOM 0 HA LEU A 14 4.247 2.422 2.726 1.00 0.46 H new ATOM 0 HB2 LEU A 14 4.826 3.511 -0.021 1.00 0.48 H new ATOM 0 HB3 LEU A 14 5.913 2.398 0.786 1.00 0.48 H new ATOM 0 HG LEU A 14 4.573 1.219 -0.777 1.00 0.54 H new ATOM 0 HD11 LEU A 14 3.493 -0.495 0.649 1.00 1.21 H new ATOM 0 HD12 LEU A 14 5.097 -0.007 1.247 1.00 1.21 H new ATOM 0 HD13 LEU A 14 3.626 0.611 2.037 1.00 1.21 H new ATOM 0 HD21 LEU A 14 2.126 0.985 -0.615 1.00 1.44 H new ATOM 0 HD22 LEU A 14 2.113 2.228 0.658 1.00 1.44 H new ATOM 0 HD23 LEU A 14 2.646 2.646 -0.987 1.00 1.44 H new ATOM 230 N VAL A 15 5.512 5.412 2.533 1.00 0.53 N ATOM 231 CA VAL A 15 6.496 6.296 3.161 1.00 0.63 C ATOM 232 C VAL A 15 6.142 6.482 4.642 1.00 0.66 C ATOM 233 O VAL A 15 7.018 6.441 5.508 1.00 0.80 O ATOM 234 CB VAL A 15 6.560 7.693 2.466 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.616 8.583 3.115 1.00 0.76 C ATOM 236 CG2 VAL A 15 6.843 7.548 0.986 1.00 0.71 C ATOM 0 H VAL A 15 4.812 5.890 1.966 1.00 0.53 H new ATOM 0 HA VAL A 15 7.475 5.828 3.057 1.00 0.63 H new ATOM 0 HB VAL A 15 5.586 8.166 2.591 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.638 9.549 2.610 1.00 0.76 H new ATOM 0 HG12 VAL A 15 7.372 8.729 4.167 1.00 0.76 H new ATOM 0 HG13 VAL A 15 8.593 8.108 3.032 1.00 0.76 H new ATOM 0 HG21 VAL A 15 6.883 8.535 0.525 1.00 0.71 H new ATOM 0 HG22 VAL A 15 7.799 7.043 0.846 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.051 6.961 0.520 1.00 0.71 H new ATOM 246 N GLU A 16 4.840 6.614 4.912 1.00 0.62 N ATOM 247 CA GLU A 16 4.296 6.844 6.266 1.00 0.71 C ATOM 248 C GLU A 16 4.753 5.749 7.222 1.00 0.74 C ATOM 249 O GLU A 16 5.346 6.019 8.279 1.00 0.89 O ATOM 250 CB GLU A 16 2.759 6.778 6.223 1.00 0.79 C ATOM 251 CG GLU A 16 2.074 7.735 5.269 1.00 0.87 C ATOM 252 CD GLU A 16 2.005 9.149 5.737 1.00 1.20 C ATOM 253 OE1 GLU A 16 2.992 9.890 5.608 1.00 2.05 O ATOM 254 OE2 GLU A 16 0.923 9.560 6.211 1.00 1.38 O ATOM 0 H GLU A 16 4.120 6.564 4.191 1.00 0.62 H new ATOM 0 HA GLU A 16 4.647 7.819 6.603 1.00 0.71 H new ATOM 0 HB2 GLU A 16 2.467 5.762 5.957 1.00 0.79 H new ATOM 0 HB3 GLU A 16 2.380 6.966 7.228 1.00 0.79 H new ATOM 0 HG2 GLU A 16 2.598 7.709 4.314 1.00 0.87 H new ATOM 0 HG3 GLU A 16 1.060 7.379 5.086 1.00 0.87 H new ATOM 261 N SER A 17 4.516 4.519 6.829 1.00 0.68 N ATOM 262 CA SER A 17 4.790 3.384 7.678 1.00 0.77 C ATOM 263 C SER A 17 6.286 3.051 7.721 1.00 0.89 C ATOM 264 O SER A 17 6.753 2.385 8.645 1.00 1.15 O ATOM 265 CB SER A 17 3.975 2.197 7.198 1.00 0.73 C ATOM 266 OG SER A 17 2.633 2.604 6.950 1.00 1.39 O ATOM 0 H SER A 17 4.130 4.278 5.916 1.00 0.68 H new ATOM 0 HA SER A 17 4.500 3.632 8.699 1.00 0.77 H new ATOM 0 HB2 SER A 17 4.414 1.786 6.289 1.00 0.73 H new ATOM 0 HB3 SER A 17 3.992 1.405 7.947 1.00 0.73 H new ATOM 0 HG SER A 17 2.582 3.049 6.078 1.00 1.39 H new ATOM 272 N ALA A 18 7.037 3.537 6.758 1.00 0.82 N ATOM 273 CA ALA A 18 8.458 3.277 6.729 1.00 1.03 C ATOM 274 C ALA A 18 9.186 4.295 7.571 1.00 1.22 C ATOM 275 O ALA A 18 9.963 3.943 8.465 1.00 1.58 O ATOM 276 CB ALA A 18 8.990 3.304 5.304 1.00 1.03 C ATOM 0 H ALA A 18 6.690 4.111 5.989 1.00 0.82 H new ATOM 0 HA ALA A 18 8.630 2.281 7.138 1.00 1.03 H new ATOM 0 HB1 ALA A 18 10.062 3.105 5.312 1.00 1.03 H new ATOM 0 HB2 ALA A 18 8.484 2.541 4.712 1.00 1.03 H new ATOM 0 HB3 ALA A 18 8.806 4.285 4.865 1.00 1.03 H new ATOM 282 N GLY A 19 8.905 5.558 7.310 1.00 1.23 N ATOM 283 CA GLY A 19 9.586 6.630 7.978 1.00 1.56 C ATOM 284 C GLY A 19 10.993 6.735 7.470 1.00 1.74 C ATOM 285 O GLY A 19 11.259 7.423 6.479 1.00 2.32 O ATOM 0 H GLY A 19 8.203 5.859 6.634 1.00 1.23 H new ATOM 0 HA2 GLY A 19 9.058 7.569 7.810 1.00 1.56 H new ATOM 0 HA3 GLY A 19 9.591 6.455 9.054 1.00 1.56 H new ATOM 289 N GLU A 20 11.880 6.013 8.107 1.00 2.01 N ATOM 290 CA GLU A 20 13.243 5.970 7.705 1.00 2.53 C ATOM 291 C GLU A 20 13.693 4.542 7.477 1.00 2.51 C ATOM 292 O GLU A 20 13.930 3.770 8.416 1.00 3.17 O ATOM 293 CB GLU A 20 14.168 6.687 8.681 1.00 3.47 C ATOM 294 CG GLU A 20 13.885 8.169 8.811 1.00 4.03 C ATOM 295 CD GLU A 20 14.982 8.891 9.520 1.00 4.59 C ATOM 296 OE1 GLU A 20 15.959 9.281 8.854 1.00 4.85 O ATOM 297 OE2 GLU A 20 14.890 9.099 10.743 1.00 5.17 O ATOM 0 H GLU A 20 11.665 5.439 8.922 1.00 2.01 H new ATOM 0 HA GLU A 20 13.310 6.510 6.761 1.00 2.53 H new ATOM 0 HB2 GLU A 20 14.077 6.221 9.662 1.00 3.47 H new ATOM 0 HB3 GLU A 20 15.200 6.550 8.357 1.00 3.47 H new ATOM 0 HG2 GLU A 20 13.750 8.600 7.819 1.00 4.03 H new ATOM 0 HG3 GLU A 20 12.949 8.313 9.351 1.00 4.03 H new ATOM 304 N THR A 21 13.703 4.176 6.246 1.00 2.53 N ATOM 305 CA THR A 21 14.231 2.930 5.785 1.00 3.19 C ATOM 306 C THR A 21 15.088 3.293 4.576 1.00 3.12 C ATOM 307 O THR A 21 16.270 3.623 4.730 1.00 3.48 O ATOM 308 CB THR A 21 13.081 1.938 5.422 1.00 4.10 C ATOM 309 OG1 THR A 21 12.191 1.829 6.547 1.00 4.58 O ATOM 310 CG2 THR A 21 13.634 0.552 5.089 1.00 4.86 C ATOM 0 H THR A 21 13.329 4.757 5.496 1.00 2.53 H new ATOM 0 HA THR A 21 14.820 2.417 6.545 1.00 3.19 H new ATOM 0 HB THR A 21 12.554 2.319 4.547 1.00 4.10 H new ATOM 0 HG1 THR A 21 11.464 1.209 6.330 1.00 4.58 H new ATOM 0 HG21 THR A 21 12.811 -0.118 4.840 1.00 4.86 H new ATOM 0 HG22 THR A 21 14.312 0.625 4.239 1.00 4.86 H new ATOM 0 HG23 THR A 21 14.174 0.159 5.951 1.00 4.86 H new ATOM 318 N ASP A 22 14.476 3.306 3.422 1.00 3.06 N ATOM 319 CA ASP A 22 15.058 3.805 2.200 1.00 3.18 C ATOM 320 C ASP A 22 13.991 3.842 1.153 1.00 2.90 C ATOM 321 O ASP A 22 13.220 2.893 1.016 1.00 3.34 O ATOM 322 CB ASP A 22 16.247 2.979 1.683 1.00 3.66 C ATOM 323 CG ASP A 22 16.866 3.635 0.459 1.00 4.04 C ATOM 324 OD1 ASP A 22 17.417 4.754 0.599 1.00 4.28 O ATOM 325 OD2 ASP A 22 16.796 3.068 -0.661 1.00 4.50 O ATOM 0 H ASP A 22 13.525 2.958 3.300 1.00 3.06 H new ATOM 0 HA ASP A 22 15.455 4.796 2.419 1.00 3.18 H new ATOM 0 HB2 ASP A 22 16.997 2.882 2.468 1.00 3.66 H new ATOM 0 HB3 ASP A 22 15.915 1.971 1.433 1.00 3.66 H new ATOM 330 N GLY A 23 13.896 4.933 0.461 1.00 2.71 N ATOM 331 CA GLY A 23 12.976 5.023 -0.618 1.00 2.74 C ATOM 332 C GLY A 23 13.655 4.627 -1.842 1.00 2.39 C ATOM 333 O GLY A 23 14.112 5.457 -2.618 1.00 2.77 O ATOM 0 H GLY A 23 14.448 5.774 0.628 1.00 2.71 H new ATOM 0 HA2 GLY A 23 12.116 4.378 -0.437 1.00 2.74 H new ATOM 0 HA3 GLY A 23 12.597 6.041 -0.708 1.00 2.74 H new ATOM 337 N THR A 24 13.768 3.357 -1.977 1.00 2.07 N ATOM 338 CA THR A 24 14.432 2.716 -3.045 1.00 1.91 C ATOM 339 C THR A 24 13.667 2.876 -4.381 1.00 1.88 C ATOM 340 O THR A 24 12.979 1.966 -4.840 1.00 2.57 O ATOM 341 CB THR A 24 14.563 1.257 -2.663 1.00 2.18 C ATOM 342 OG1 THR A 24 14.986 1.199 -1.287 1.00 2.87 O ATOM 343 CG2 THR A 24 15.602 0.612 -3.496 1.00 2.46 C ATOM 0 H THR A 24 13.375 2.700 -1.303 1.00 2.07 H new ATOM 0 HA THR A 24 15.410 3.169 -3.207 1.00 1.91 H new ATOM 0 HB THR A 24 13.611 0.747 -2.809 1.00 2.18 H new ATOM 0 HG1 THR A 24 15.766 1.779 -1.160 1.00 2.87 H new ATOM 0 HG21 THR A 24 15.692 -0.438 -3.217 1.00 2.46 H new ATOM 0 HG22 THR A 24 15.323 0.685 -4.547 1.00 2.46 H new ATOM 0 HG23 THR A 24 16.557 1.113 -3.338 1.00 2.46 H new ATOM 351 N ASP A 25 13.743 4.088 -4.921 1.00 1.70 N ATOM 352 CA ASP A 25 13.143 4.489 -6.196 1.00 1.79 C ATOM 353 C ASP A 25 11.611 4.342 -6.153 1.00 1.40 C ATOM 354 O ASP A 25 10.964 3.982 -7.134 1.00 1.51 O ATOM 355 CB ASP A 25 13.777 3.703 -7.361 1.00 2.34 C ATOM 356 CG ASP A 25 13.576 4.381 -8.701 1.00 2.77 C ATOM 357 OD1 ASP A 25 14.073 5.518 -8.878 1.00 3.23 O ATOM 358 OD2 ASP A 25 12.953 3.807 -9.592 1.00 3.17 O ATOM 0 H ASP A 25 14.244 4.851 -4.466 1.00 1.70 H new ATOM 0 HA ASP A 25 13.352 5.545 -6.367 1.00 1.79 H new ATOM 0 HB2 ASP A 25 14.844 3.584 -7.175 1.00 2.34 H new ATOM 0 HB3 ASP A 25 13.346 2.703 -7.396 1.00 2.34 H new ATOM 363 N LEU A 26 11.036 4.691 -5.003 1.00 1.16 N ATOM 364 CA LEU A 26 9.580 4.644 -4.808 1.00 0.93 C ATOM 365 C LEU A 26 8.908 5.836 -5.464 1.00 0.82 C ATOM 366 O LEU A 26 7.685 5.853 -5.647 1.00 0.80 O ATOM 367 CB LEU A 26 9.177 4.575 -3.313 1.00 0.99 C ATOM 368 CG LEU A 26 9.170 3.190 -2.629 1.00 0.82 C ATOM 369 CD1 LEU A 26 10.541 2.551 -2.597 1.00 0.95 C ATOM 370 CD2 LEU A 26 8.597 3.295 -1.224 1.00 1.03 C ATOM 0 H LEU A 26 11.556 5.012 -4.186 1.00 1.16 H new ATOM 0 HA LEU A 26 9.238 3.725 -5.283 1.00 0.93 H new ATOM 0 HB2 LEU A 26 9.854 5.220 -2.754 1.00 0.99 H new ATOM 0 HB3 LEU A 26 8.178 5.001 -3.216 1.00 0.99 H new ATOM 0 HG LEU A 26 8.532 2.541 -3.229 1.00 0.82 H new ATOM 0 HD11 LEU A 26 10.479 1.580 -2.106 1.00 0.95 H new ATOM 0 HD12 LEU A 26 10.905 2.419 -3.616 1.00 0.95 H new ATOM 0 HD13 LEU A 26 11.229 3.193 -2.046 1.00 0.95 H new ATOM 0 HD21 LEU A 26 8.599 2.311 -0.756 1.00 1.03 H new ATOM 0 HD22 LEU A 26 9.206 3.979 -0.633 1.00 1.03 H new ATOM 0 HD23 LEU A 26 7.575 3.670 -1.275 1.00 1.03 H new ATOM 382 N SER A 27 9.707 6.838 -5.772 1.00 0.90 N ATOM 383 CA SER A 27 9.247 8.021 -6.446 1.00 0.92 C ATOM 384 C SER A 27 8.655 7.644 -7.810 1.00 0.91 C ATOM 385 O SER A 27 9.255 6.870 -8.579 1.00 1.08 O ATOM 386 CB SER A 27 10.405 9.021 -6.606 1.00 1.15 C ATOM 387 OG SER A 27 9.962 10.264 -7.163 1.00 1.46 O ATOM 0 H SER A 27 10.704 6.847 -5.556 1.00 0.90 H new ATOM 0 HA SER A 27 8.467 8.496 -5.851 1.00 0.92 H new ATOM 0 HB2 SER A 27 10.866 9.202 -5.635 1.00 1.15 H new ATOM 0 HB3 SER A 27 11.173 8.588 -7.248 1.00 1.15 H new ATOM 0 HG SER A 27 10.724 10.874 -7.248 1.00 1.46 H new ATOM 393 N GLY A 28 7.503 8.195 -8.103 1.00 0.93 N ATOM 394 CA GLY A 28 6.805 7.870 -9.307 1.00 0.99 C ATOM 395 C GLY A 28 5.922 6.665 -9.112 1.00 0.85 C ATOM 396 O GLY A 28 4.880 6.748 -8.438 1.00 1.02 O ATOM 0 H GLY A 28 7.030 8.878 -7.511 1.00 0.93 H new ATOM 0 HA2 GLY A 28 6.201 8.721 -9.622 1.00 0.99 H new ATOM 0 HA3 GLY A 28 7.521 7.675 -10.105 1.00 0.99 H new ATOM 400 N ASP A 29 6.327 5.560 -9.669 1.00 0.70 N ATOM 401 CA ASP A 29 5.589 4.316 -9.573 1.00 0.64 C ATOM 402 C ASP A 29 6.539 3.246 -9.137 1.00 0.55 C ATOM 403 O ASP A 29 7.658 3.194 -9.622 1.00 0.74 O ATOM 404 CB ASP A 29 5.012 3.934 -10.931 1.00 0.80 C ATOM 405 CG ASP A 29 4.082 2.735 -10.886 1.00 1.29 C ATOM 406 OD1 ASP A 29 4.554 1.592 -10.727 1.00 2.07 O ATOM 407 OD2 ASP A 29 2.856 2.931 -11.024 1.00 1.68 O ATOM 0 H ASP A 29 7.188 5.488 -10.211 1.00 0.70 H new ATOM 0 HA ASP A 29 4.771 4.431 -8.862 1.00 0.64 H new ATOM 0 HB2 ASP A 29 4.470 4.787 -11.338 1.00 0.80 H new ATOM 0 HB3 ASP A 29 5.832 3.721 -11.617 1.00 0.80 H new ATOM 412 N PHE A 30 6.123 2.404 -8.238 1.00 0.39 N ATOM 413 CA PHE A 30 6.986 1.352 -7.755 1.00 0.34 C ATOM 414 C PHE A 30 6.211 0.053 -7.635 1.00 0.31 C ATOM 415 O PHE A 30 6.632 -0.864 -6.956 1.00 0.31 O ATOM 416 CB PHE A 30 7.630 1.750 -6.407 1.00 0.35 C ATOM 417 CG PHE A 30 6.678 1.857 -5.237 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.751 2.883 -5.163 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.723 0.923 -4.210 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.889 2.975 -4.098 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.863 1.008 -3.138 1.00 0.38 C ATOM 422 CZ PHE A 30 4.942 2.039 -3.085 1.00 0.42 C ATOM 0 H PHE A 30 5.192 2.420 -7.821 1.00 0.39 H new ATOM 0 HA PHE A 30 7.792 1.201 -8.473 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.399 1.018 -6.161 1.00 0.35 H new ATOM 0 HB3 PHE A 30 8.132 2.709 -6.533 1.00 0.35 H new ATOM 0 HD1 PHE A 30 5.705 3.619 -5.952 1.00 0.39 H new ATOM 0 HD2 PHE A 30 7.443 0.119 -4.253 1.00 0.34 H new ATOM 0 HE1 PHE A 30 4.170 3.779 -4.053 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.907 0.276 -2.345 1.00 0.38 H new ATOM 0 HZ PHE A 30 4.263 2.112 -2.249 1.00 0.42 H new ATOM 432 N LEU A 31 5.080 -0.028 -8.347 1.00 0.31 N ATOM 433 CA LEU A 31 4.204 -1.214 -8.338 1.00 0.31 C ATOM 434 C LEU A 31 4.945 -2.520 -8.708 1.00 0.31 C ATOM 435 O LEU A 31 4.497 -3.616 -8.358 1.00 0.35 O ATOM 436 CB LEU A 31 3.000 -1.028 -9.262 1.00 0.33 C ATOM 437 CG LEU A 31 2.081 0.168 -8.984 1.00 0.34 C ATOM 438 CD1 LEU A 31 0.912 0.159 -9.946 1.00 0.39 C ATOM 439 CD2 LEU A 31 1.581 0.162 -7.552 1.00 0.32 C ATOM 0 H LEU A 31 4.743 0.725 -8.947 1.00 0.31 H new ATOM 0 HA LEU A 31 3.858 -1.313 -7.309 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.369 -0.940 -10.284 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.397 -1.935 -9.218 1.00 0.33 H new ATOM 0 HG LEU A 31 2.661 1.079 -9.131 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.265 1.012 -9.741 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.282 0.222 -10.969 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.346 -0.764 -9.822 1.00 0.39 H new ATOM 0 HD21 LEU A 31 0.933 1.023 -7.389 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.021 -0.754 -7.366 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.430 0.213 -6.870 1.00 0.32 H new ATOM 451 N ASP A 32 6.064 -2.378 -9.406 1.00 0.31 N ATOM 452 CA ASP A 32 6.865 -3.505 -9.901 1.00 0.37 C ATOM 453 C ASP A 32 7.961 -3.890 -8.889 1.00 0.37 C ATOM 454 O ASP A 32 8.556 -4.974 -8.970 1.00 0.45 O ATOM 455 CB ASP A 32 7.515 -3.073 -11.225 1.00 0.48 C ATOM 456 CG ASP A 32 8.149 -4.188 -12.014 1.00 1.29 C ATOM 457 OD1 ASP A 32 7.445 -4.905 -12.752 1.00 2.04 O ATOM 458 OD2 ASP A 32 9.367 -4.429 -11.832 1.00 1.83 O ATOM 0 H ASP A 32 6.452 -1.467 -9.651 1.00 0.31 H new ATOM 0 HA ASP A 32 6.224 -4.375 -10.045 1.00 0.37 H new ATOM 0 HB2 ASP A 32 6.758 -2.594 -11.845 1.00 0.48 H new ATOM 0 HB3 ASP A 32 8.275 -2.321 -11.012 1.00 0.48 H new ATOM 463 N LEU A 33 8.202 -3.008 -7.937 1.00 0.35 N ATOM 464 CA LEU A 33 9.217 -3.208 -6.898 1.00 0.37 C ATOM 465 C LEU A 33 8.680 -4.106 -5.823 1.00 0.34 C ATOM 466 O LEU A 33 7.588 -3.906 -5.340 1.00 0.40 O ATOM 467 CB LEU A 33 9.680 -1.865 -6.281 1.00 0.41 C ATOM 468 CG LEU A 33 10.683 -1.011 -7.091 1.00 0.51 C ATOM 469 CD1 LEU A 33 12.011 -1.730 -7.226 1.00 1.37 C ATOM 470 CD2 LEU A 33 10.142 -0.651 -8.465 1.00 1.27 C ATOM 0 H LEU A 33 7.700 -2.124 -7.855 1.00 0.35 H new ATOM 0 HA LEU A 33 10.083 -3.675 -7.367 1.00 0.37 H new ATOM 0 HB2 LEU A 33 8.794 -1.257 -6.097 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.128 -2.078 -5.310 1.00 0.41 H new ATOM 0 HG LEU A 33 10.834 -0.083 -6.540 1.00 0.51 H new ATOM 0 HD11 LEU A 33 12.703 -1.112 -7.799 1.00 1.37 H new ATOM 0 HD12 LEU A 33 12.426 -1.916 -6.236 1.00 1.37 H new ATOM 0 HD13 LEU A 33 11.860 -2.679 -7.741 1.00 1.37 H new ATOM 0 HD21 LEU A 33 10.878 -0.051 -9.000 1.00 1.27 H new ATOM 0 HD22 LEU A 33 9.940 -1.563 -9.027 1.00 1.27 H new ATOM 0 HD23 LEU A 33 9.220 -0.080 -8.355 1.00 1.27 H new ATOM 482 N ARG A 34 9.437 -5.084 -5.452 1.00 0.33 N ATOM 483 CA ARG A 34 9.003 -6.029 -4.452 1.00 0.34 C ATOM 484 C ARG A 34 9.113 -5.396 -3.082 1.00 0.29 C ATOM 485 O ARG A 34 10.114 -4.736 -2.795 1.00 0.34 O ATOM 486 CB ARG A 34 9.894 -7.282 -4.476 1.00 0.47 C ATOM 487 CG ARG A 34 9.967 -8.016 -5.805 1.00 0.61 C ATOM 488 CD ARG A 34 8.611 -8.353 -6.290 1.00 1.10 C ATOM 489 NE ARG A 34 8.601 -9.333 -7.367 1.00 1.91 N ATOM 490 CZ ARG A 34 7.676 -10.288 -7.478 1.00 3.03 C ATOM 491 NH1 ARG A 34 6.908 -10.586 -6.434 1.00 3.63 N ATOM 492 NH2 ARG A 34 7.575 -10.998 -8.589 1.00 3.94 N ATOM 0 H ARG A 34 10.370 -5.259 -5.825 1.00 0.33 H new ATOM 0 HA ARG A 34 7.971 -6.309 -4.665 1.00 0.34 H new ATOM 0 HB2 ARG A 34 10.904 -6.992 -4.186 1.00 0.47 H new ATOM 0 HB3 ARG A 34 9.532 -7.977 -3.718 1.00 0.47 H new ATOM 0 HG2 ARG A 34 10.478 -7.396 -6.541 1.00 0.61 H new ATOM 0 HG3 ARG A 34 10.555 -8.927 -5.692 1.00 0.61 H new ATOM 0 HD2 ARG A 34 8.022 -8.736 -5.457 1.00 1.10 H new ATOM 0 HD3 ARG A 34 8.121 -7.442 -6.635 1.00 1.10 H new ATOM 0 HE ARG A 34 9.337 -9.287 -8.071 1.00 1.91 H new ATOM 0 HH11 ARG A 34 7.028 -10.085 -5.553 1.00 3.63 H new ATOM 0 HH12 ARG A 34 6.199 -11.315 -6.514 1.00 3.63 H new ATOM 0 HH21 ARG A 34 8.207 -10.817 -9.369 1.00 3.94 H new ATOM 0 HH22 ARG A 34 6.865 -11.726 -8.666 1.00 3.94 H new ATOM 506 N PHE A 35 8.113 -5.593 -2.215 1.00 0.25 N ATOM 507 CA PHE A 35 8.228 -5.090 -0.841 1.00 0.24 C ATOM 508 C PHE A 35 9.394 -5.800 -0.189 1.00 0.27 C ATOM 509 O PHE A 35 10.182 -5.203 0.528 1.00 0.29 O ATOM 510 CB PHE A 35 6.964 -5.310 0.011 1.00 0.26 C ATOM 511 CG PHE A 35 5.708 -4.667 -0.492 1.00 0.26 C ATOM 512 CD1 PHE A 35 5.648 -3.305 -0.660 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.596 -5.425 -0.808 1.00 0.27 C ATOM 514 CE1 PHE A 35 4.512 -2.699 -1.130 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.451 -4.824 -1.279 1.00 0.32 C ATOM 516 CZ PHE A 35 3.370 -3.508 -1.400 1.00 0.35 C ATOM 0 H PHE A 35 7.243 -6.080 -2.429 1.00 0.25 H new ATOM 0 HA PHE A 35 8.373 -4.011 -0.895 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.790 -6.383 0.095 1.00 0.26 H new ATOM 0 HB3 PHE A 35 7.160 -4.939 1.017 1.00 0.26 H new ATOM 0 HD1 PHE A 35 6.510 -2.702 -0.418 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.626 -6.497 -0.684 1.00 0.27 H new ATOM 0 HE1 PHE A 35 4.483 -1.632 -1.292 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.605 -5.436 -1.554 1.00 0.32 H new ATOM 0 HZ PHE A 35 2.441 -3.049 -1.703 1.00 0.35 H new ATOM 526 N GLU A 36 9.517 -7.077 -0.527 1.00 0.37 N ATOM 527 CA GLU A 36 10.600 -7.944 -0.096 1.00 0.47 C ATOM 528 C GLU A 36 11.964 -7.327 -0.474 1.00 0.46 C ATOM 529 O GLU A 36 12.939 -7.438 0.263 1.00 0.51 O ATOM 530 CB GLU A 36 10.441 -9.289 -0.802 1.00 0.64 C ATOM 531 CG GLU A 36 11.278 -10.413 -0.243 1.00 1.56 C ATOM 532 CD GLU A 36 10.903 -10.738 1.180 1.00 2.12 C ATOM 533 OE1 GLU A 36 9.708 -10.997 1.455 1.00 2.45 O ATOM 534 OE2 GLU A 36 11.783 -10.697 2.053 1.00 2.79 O ATOM 0 H GLU A 36 8.843 -7.551 -1.128 1.00 0.37 H new ATOM 0 HA GLU A 36 10.564 -8.069 0.986 1.00 0.47 H new ATOM 0 HB2 GLU A 36 9.392 -9.582 -0.758 1.00 0.64 H new ATOM 0 HB3 GLU A 36 10.692 -9.160 -1.855 1.00 0.64 H new ATOM 0 HG2 GLU A 36 11.154 -11.301 -0.863 1.00 1.56 H new ATOM 0 HG3 GLU A 36 12.332 -10.138 -0.287 1.00 1.56 H new ATOM 541 N ASP A 37 11.995 -6.635 -1.603 1.00 0.44 N ATOM 542 CA ASP A 37 13.228 -6.050 -2.123 1.00 0.50 C ATOM 543 C ASP A 37 13.515 -4.730 -1.450 1.00 0.48 C ATOM 544 O ASP A 37 14.660 -4.415 -1.154 1.00 0.60 O ATOM 545 CB ASP A 37 13.146 -5.842 -3.639 1.00 0.57 C ATOM 546 CG ASP A 37 14.422 -5.260 -4.216 1.00 0.68 C ATOM 547 OD1 ASP A 37 14.565 -4.034 -4.279 1.00 0.88 O ATOM 548 OD2 ASP A 37 15.319 -6.052 -4.615 1.00 0.74 O ATOM 0 H ASP A 37 11.174 -6.462 -2.183 1.00 0.44 H new ATOM 0 HA ASP A 37 14.038 -6.748 -1.909 1.00 0.50 H new ATOM 0 HB2 ASP A 37 12.935 -6.796 -4.122 1.00 0.57 H new ATOM 0 HB3 ASP A 37 12.312 -5.178 -3.867 1.00 0.57 H new ATOM 553 N ILE A 38 12.472 -3.985 -1.136 1.00 0.40 N ATOM 554 CA ILE A 38 12.658 -2.679 -0.521 1.00 0.42 C ATOM 555 C ILE A 38 12.676 -2.788 1.006 1.00 0.42 C ATOM 556 O ILE A 38 12.602 -1.785 1.717 1.00 0.50 O ATOM 557 CB ILE A 38 11.602 -1.614 -0.975 1.00 0.47 C ATOM 558 CG1 ILE A 38 10.177 -2.023 -0.561 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.674 -1.386 -2.486 1.00 0.56 C ATOM 560 CD1 ILE A 38 9.111 -0.999 -0.910 1.00 0.60 C ATOM 0 H ILE A 38 11.500 -4.253 -1.292 1.00 0.40 H new ATOM 0 HA ILE A 38 13.628 -2.324 -0.871 1.00 0.42 H new ATOM 0 HB ILE A 38 11.843 -0.678 -0.471 1.00 0.47 H new ATOM 0 HG12 ILE A 38 9.928 -2.969 -1.042 1.00 0.47 H new ATOM 0 HG13 ILE A 38 10.159 -2.198 0.515 1.00 0.47 H new ATOM 0 HG21 ILE A 38 10.932 -0.643 -2.778 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.669 -1.030 -2.753 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.473 -2.323 -3.005 1.00 0.56 H new ATOM 0 HD11 ILE A 38 8.136 -1.363 -0.585 1.00 0.60 H new ATOM 0 HD12 ILE A 38 9.333 -0.057 -0.408 1.00 0.60 H new ATOM 0 HD13 ILE A 38 9.098 -0.840 -1.988 1.00 0.60 H new ATOM 572 N GLY A 39 12.861 -4.014 1.487 1.00 0.42 N ATOM 573 CA GLY A 39 12.985 -4.284 2.910 1.00 0.50 C ATOM 574 C GLY A 39 11.712 -4.023 3.679 1.00 0.47 C ATOM 575 O GLY A 39 11.753 -3.705 4.875 1.00 0.66 O ATOM 0 H GLY A 39 12.929 -4.845 0.900 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.280 -5.324 3.051 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.784 -3.667 3.322 1.00 0.50 H new ATOM 579 N TYR A 40 10.594 -4.171 3.019 1.00 0.36 N ATOM 580 CA TYR A 40 9.324 -3.908 3.616 1.00 0.36 C ATOM 581 C TYR A 40 8.720 -5.198 4.098 1.00 0.42 C ATOM 582 O TYR A 40 8.409 -6.081 3.297 1.00 0.59 O ATOM 583 CB TYR A 40 8.396 -3.242 2.613 1.00 0.36 C ATOM 584 CG TYR A 40 7.732 -2.026 3.163 1.00 0.49 C ATOM 585 CD1 TYR A 40 6.552 -2.112 3.881 1.00 0.64 C ATOM 586 CD2 TYR A 40 8.307 -0.786 2.984 1.00 0.70 C ATOM 587 CE1 TYR A 40 5.966 -0.985 4.409 1.00 0.90 C ATOM 588 CE2 TYR A 40 7.732 0.341 3.495 1.00 0.95 C ATOM 589 CZ TYR A 40 6.557 0.240 4.213 1.00 1.04 C ATOM 590 OH TYR A 40 5.989 1.360 4.759 1.00 1.33 O ATOM 0 H TYR A 40 10.545 -4.479 2.048 1.00 0.36 H new ATOM 0 HA TYR A 40 9.461 -3.234 4.461 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.964 -2.970 1.724 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.635 -3.956 2.299 1.00 0.36 H new ATOM 0 HD1 TYR A 40 6.086 -3.075 4.028 1.00 0.64 H new ATOM 0 HD2 TYR A 40 9.230 -0.705 2.429 1.00 0.70 H new ATOM 0 HE1 TYR A 40 5.048 -1.062 4.973 1.00 0.90 H new ATOM 0 HE2 TYR A 40 8.193 1.305 3.339 1.00 0.95 H new ATOM 0 HH TYR A 40 6.037 2.098 4.116 1.00 1.33 H new ATOM 600 N ASP A 41 8.581 -5.319 5.395 1.00 0.42 N ATOM 601 CA ASP A 41 8.021 -6.522 5.985 1.00 0.51 C ATOM 602 C ASP A 41 6.528 -6.451 6.004 1.00 0.44 C ATOM 603 O ASP A 41 5.953 -5.363 6.087 1.00 0.38 O ATOM 604 CB ASP A 41 8.514 -6.764 7.405 1.00 0.67 C ATOM 605 CG ASP A 41 9.996 -7.024 7.509 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.459 -8.105 7.065 1.00 1.06 O ATOM 607 OD2 ASP A 41 10.723 -6.182 8.060 1.00 0.99 O ATOM 0 H ASP A 41 8.847 -4.601 6.068 1.00 0.42 H new ATOM 0 HA ASP A 41 8.356 -7.351 5.362 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.265 -5.897 8.017 1.00 0.67 H new ATOM 0 HB3 ASP A 41 7.977 -7.615 7.824 1.00 0.67 H new ATOM 612 N SER A 42 5.904 -7.604 5.916 1.00 0.51 N ATOM 613 CA SER A 42 4.464 -7.748 5.936 1.00 0.48 C ATOM 614 C SER A 42 3.780 -7.023 7.111 1.00 0.41 C ATOM 615 O SER A 42 2.684 -6.511 6.954 1.00 0.37 O ATOM 616 CB SER A 42 4.078 -9.222 5.863 1.00 0.59 C ATOM 617 OG SER A 42 4.624 -9.987 6.941 1.00 1.03 O ATOM 0 H SER A 42 6.397 -8.492 5.826 1.00 0.51 H new ATOM 0 HA SER A 42 4.086 -7.245 5.046 1.00 0.48 H new ATOM 0 HB2 SER A 42 2.992 -9.310 5.873 1.00 0.59 H new ATOM 0 HB3 SER A 42 4.423 -9.638 4.916 1.00 0.59 H new ATOM 0 HG SER A 42 4.348 -10.923 6.851 1.00 1.03 H new ATOM 623 N LEU A 43 4.437 -6.964 8.266 1.00 0.45 N ATOM 624 CA LEU A 43 3.879 -6.273 9.425 1.00 0.46 C ATOM 625 C LEU A 43 3.778 -4.777 9.108 1.00 0.41 C ATOM 626 O LEU A 43 2.718 -4.165 9.270 1.00 0.41 O ATOM 627 CB LEU A 43 4.763 -6.548 10.675 1.00 0.59 C ATOM 628 CG LEU A 43 4.254 -6.093 12.077 1.00 0.75 C ATOM 629 CD1 LEU A 43 4.283 -4.578 12.262 1.00 1.56 C ATOM 630 CD2 LEU A 43 2.857 -6.643 12.347 1.00 1.24 C ATOM 0 H LEU A 43 5.353 -7.384 8.424 1.00 0.45 H new ATOM 0 HA LEU A 43 2.878 -6.642 9.648 1.00 0.46 H new ATOM 0 HB2 LEU A 43 4.940 -7.622 10.722 1.00 0.59 H new ATOM 0 HB3 LEU A 43 5.729 -6.073 10.506 1.00 0.59 H new ATOM 0 HG LEU A 43 4.948 -6.507 12.808 1.00 0.75 H new ATOM 0 HD11 LEU A 43 3.917 -4.326 13.257 1.00 1.56 H new ATOM 0 HD12 LEU A 43 5.305 -4.217 12.149 1.00 1.56 H new ATOM 0 HD13 LEU A 43 3.647 -4.108 11.512 1.00 1.56 H new ATOM 0 HD21 LEU A 43 2.520 -6.314 13.330 1.00 1.24 H new ATOM 0 HD22 LEU A 43 2.168 -6.276 11.586 1.00 1.24 H new ATOM 0 HD23 LEU A 43 2.883 -7.732 12.318 1.00 1.24 H new ATOM 642 N ALA A 44 4.873 -4.219 8.610 1.00 0.39 N ATOM 643 CA ALA A 44 4.928 -2.820 8.200 1.00 0.39 C ATOM 644 C ALA A 44 3.939 -2.574 7.063 1.00 0.34 C ATOM 645 O ALA A 44 3.272 -1.541 7.008 1.00 0.40 O ATOM 646 CB ALA A 44 6.341 -2.458 7.764 1.00 0.43 C ATOM 0 H ALA A 44 5.750 -4.723 8.478 1.00 0.39 H new ATOM 0 HA ALA A 44 4.654 -2.189 9.045 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.371 -1.412 7.460 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.029 -2.615 8.595 1.00 0.43 H new ATOM 0 HB3 ALA A 44 6.636 -3.088 6.925 1.00 0.43 H new ATOM 652 N LEU A 45 3.836 -3.548 6.184 1.00 0.29 N ATOM 653 CA LEU A 45 2.920 -3.520 5.064 1.00 0.28 C ATOM 654 C LEU A 45 1.463 -3.477 5.546 1.00 0.25 C ATOM 655 O LEU A 45 0.657 -2.678 5.055 1.00 0.26 O ATOM 656 CB LEU A 45 3.166 -4.741 4.189 1.00 0.30 C ATOM 657 CG LEU A 45 2.256 -4.919 2.989 1.00 0.33 C ATOM 658 CD1 LEU A 45 2.370 -3.736 2.046 1.00 0.43 C ATOM 659 CD2 LEU A 45 2.606 -6.207 2.284 1.00 0.38 C ATOM 0 H LEU A 45 4.398 -4.398 6.229 1.00 0.29 H new ATOM 0 HA LEU A 45 3.096 -2.617 4.480 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.195 -4.701 3.832 1.00 0.30 H new ATOM 0 HB3 LEU A 45 3.081 -5.630 4.815 1.00 0.30 H new ATOM 0 HG LEU A 45 1.221 -4.969 3.328 1.00 0.33 H new ATOM 0 HD11 LEU A 45 1.708 -3.886 1.193 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.085 -2.824 2.570 1.00 0.43 H new ATOM 0 HD13 LEU A 45 3.399 -3.647 1.696 1.00 0.43 H new ATOM 0 HD21 LEU A 45 1.954 -6.338 1.421 1.00 0.38 H new ATOM 0 HD22 LEU A 45 3.644 -6.170 1.952 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.474 -7.044 2.969 1.00 0.38 H new ATOM 671 N MET A 46 1.127 -4.325 6.508 1.00 0.24 N ATOM 672 CA MET A 46 -0.209 -4.315 7.089 1.00 0.23 C ATOM 673 C MET A 46 -0.469 -2.992 7.777 1.00 0.25 C ATOM 674 O MET A 46 -1.568 -2.495 7.744 1.00 0.27 O ATOM 675 CB MET A 46 -0.450 -5.467 8.068 1.00 0.27 C ATOM 676 CG MET A 46 -0.405 -6.857 7.453 1.00 0.34 C ATOM 677 SD MET A 46 -0.705 -8.149 8.676 1.00 0.50 S ATOM 678 CE MET A 46 -0.584 -9.619 7.661 1.00 1.49 C ATOM 0 H MET A 46 1.756 -5.025 6.901 1.00 0.24 H new ATOM 0 HA MET A 46 -0.907 -4.451 6.263 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.297 -5.413 8.860 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.423 -5.326 8.538 1.00 0.27 H new ATOM 0 HG2 MET A 46 -1.151 -6.927 6.661 1.00 0.34 H new ATOM 0 HG3 MET A 46 0.568 -7.016 6.989 1.00 0.34 H new ATOM 0 HE1 MET A 46 -1.002 -10.469 8.201 1.00 1.49 H new ATOM 0 HE2 MET A 46 -1.139 -9.469 6.735 1.00 1.49 H new ATOM 0 HE3 MET A 46 0.463 -9.816 7.429 1.00 1.49 H new ATOM 688 N GLU A 47 0.557 -2.436 8.403 1.00 0.29 N ATOM 689 CA GLU A 47 0.476 -1.119 9.052 1.00 0.34 C ATOM 690 C GLU A 47 0.221 -0.008 8.010 1.00 0.32 C ATOM 691 O GLU A 47 -0.461 0.978 8.277 1.00 0.36 O ATOM 692 CB GLU A 47 1.753 -0.865 9.869 1.00 0.45 C ATOM 693 CG GLU A 47 1.826 0.491 10.543 1.00 0.58 C ATOM 694 CD GLU A 47 2.977 0.587 11.503 1.00 1.03 C ATOM 695 OE1 GLU A 47 4.116 0.860 11.075 1.00 1.88 O ATOM 696 OE2 GLU A 47 2.765 0.396 12.718 1.00 1.25 O ATOM 0 H GLU A 47 1.473 -2.878 8.480 1.00 0.29 H new ATOM 0 HA GLU A 47 -0.371 -1.106 9.739 1.00 0.34 H new ATOM 0 HB2 GLU A 47 1.837 -1.638 10.633 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.615 -0.973 9.210 1.00 0.45 H new ATOM 0 HG2 GLU A 47 1.923 1.267 9.784 1.00 0.58 H new ATOM 0 HG3 GLU A 47 0.894 0.681 11.076 1.00 0.58 H new ATOM 703 N THR A 48 0.730 -0.228 6.829 1.00 0.30 N ATOM 704 CA THR A 48 0.571 0.667 5.698 1.00 0.33 C ATOM 705 C THR A 48 -0.896 0.668 5.322 1.00 0.29 C ATOM 706 O THR A 48 -1.559 1.721 5.269 1.00 0.33 O ATOM 707 CB THR A 48 1.423 0.156 4.511 1.00 0.36 C ATOM 708 OG1 THR A 48 2.805 0.122 4.881 1.00 0.42 O ATOM 709 CG2 THR A 48 1.248 1.030 3.285 1.00 0.45 C ATOM 0 H THR A 48 1.284 -1.057 6.613 1.00 0.30 H new ATOM 0 HA THR A 48 0.900 1.675 5.949 1.00 0.33 H new ATOM 0 HB THR A 48 1.082 -0.849 4.264 1.00 0.36 H new ATOM 0 HG1 THR A 48 2.932 -0.518 5.612 1.00 0.42 H new ATOM 0 HG21 THR A 48 1.861 0.642 2.471 1.00 0.45 H new ATOM 0 HG22 THR A 48 0.201 1.028 2.983 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.557 2.049 3.518 1.00 0.45 H new ATOM 717 N ALA A 49 -1.386 -0.535 5.071 1.00 0.25 N ATOM 718 CA ALA A 49 -2.771 -0.779 4.780 1.00 0.24 C ATOM 719 C ALA A 49 -3.639 -0.252 5.919 1.00 0.22 C ATOM 720 O ALA A 49 -4.669 0.328 5.678 1.00 0.23 O ATOM 721 CB ALA A 49 -2.983 -2.271 4.585 1.00 0.27 C ATOM 0 H ALA A 49 -0.813 -1.379 5.066 1.00 0.25 H new ATOM 0 HA ALA A 49 -3.056 -0.259 3.865 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -4.033 -2.463 4.364 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -2.367 -2.621 3.756 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.701 -2.801 5.495 1.00 0.27 H new ATOM 727 N ALA A 50 -3.160 -0.428 7.150 1.00 0.23 N ATOM 728 CA ALA A 50 -3.843 0.022 8.345 1.00 0.26 C ATOM 729 C ALA A 50 -4.105 1.510 8.310 1.00 0.28 C ATOM 730 O ALA A 50 -5.226 1.967 8.561 1.00 0.30 O ATOM 731 CB ALA A 50 -3.064 -0.327 9.600 1.00 0.33 C ATOM 0 H ALA A 50 -2.273 -0.895 7.339 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.799 -0.501 8.370 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.608 0.027 10.476 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -2.940 -1.408 9.662 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -2.084 0.150 9.564 1.00 0.33 H new ATOM 737 N ARG A 51 -3.065 2.261 7.988 1.00 0.31 N ATOM 738 CA ARG A 51 -3.156 3.700 7.902 1.00 0.37 C ATOM 739 C ARG A 51 -4.117 4.093 6.792 1.00 0.36 C ATOM 740 O ARG A 51 -4.918 5.005 6.951 1.00 0.40 O ATOM 741 CB ARG A 51 -1.771 4.332 7.698 1.00 0.45 C ATOM 742 CG ARG A 51 -0.802 4.071 8.850 1.00 0.54 C ATOM 743 CD ARG A 51 0.527 4.773 8.634 1.00 0.70 C ATOM 744 NE ARG A 51 1.460 4.593 9.767 1.00 1.59 N ATOM 745 CZ ARG A 51 2.364 5.503 10.165 1.00 1.76 C ATOM 746 NH1 ARG A 51 2.295 6.747 9.704 1.00 1.27 N ATOM 747 NH2 ARG A 51 3.283 5.183 11.077 1.00 2.84 N ATOM 0 H ARG A 51 -2.139 1.887 7.780 1.00 0.31 H new ATOM 0 HA ARG A 51 -3.546 4.083 8.845 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -1.337 3.946 6.775 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -1.888 5.408 7.570 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -1.247 4.413 9.785 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -0.635 2.998 8.950 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.990 4.392 7.724 1.00 0.70 H new ATOM 0 HD3 ARG A 51 0.350 5.838 8.480 1.00 0.70 H new ATOM 0 HE ARG A 51 1.414 3.715 10.283 1.00 1.59 H new ATOM 0 HH11 ARG A 51 1.557 7.008 9.050 1.00 1.27 H new ATOM 0 HH12 ARG A 51 2.980 7.441 10.004 1.00 1.27 H new ATOM 0 HH21 ARG A 51 3.301 4.244 11.475 1.00 2.84 H new ATOM 0 HH22 ARG A 51 3.968 5.877 11.376 1.00 2.84 H new ATOM 761 N LEU A 52 -4.067 3.366 5.687 1.00 0.32 N ATOM 762 CA LEU A 52 -4.973 3.580 4.576 1.00 0.34 C ATOM 763 C LEU A 52 -6.424 3.264 4.948 1.00 0.33 C ATOM 764 O LEU A 52 -7.337 4.017 4.584 1.00 0.37 O ATOM 765 CB LEU A 52 -4.512 2.805 3.344 1.00 0.35 C ATOM 766 CG LEU A 52 -3.305 3.399 2.619 1.00 0.43 C ATOM 767 CD1 LEU A 52 -2.845 2.485 1.509 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.649 4.773 2.048 1.00 0.69 C ATOM 0 H LEU A 52 -3.397 2.612 5.538 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.947 4.641 4.327 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.270 1.786 3.645 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.343 2.742 2.642 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.496 3.507 3.342 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -1.985 2.927 1.006 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -2.564 1.518 1.927 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -3.654 2.348 0.791 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.779 5.182 1.535 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -4.474 4.678 1.343 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -3.940 5.441 2.858 1.00 0.69 H new ATOM 780 N GLU A 53 -6.632 2.171 5.682 1.00 0.29 N ATOM 781 CA GLU A 53 -7.955 1.805 6.180 1.00 0.32 C ATOM 782 C GLU A 53 -8.529 2.916 7.024 1.00 0.35 C ATOM 783 O GLU A 53 -9.667 3.324 6.820 1.00 0.42 O ATOM 784 CB GLU A 53 -7.928 0.518 7.001 1.00 0.32 C ATOM 785 CG GLU A 53 -7.579 -0.724 6.223 1.00 0.34 C ATOM 786 CD GLU A 53 -7.622 -1.948 7.089 1.00 0.40 C ATOM 787 OE1 GLU A 53 -6.621 -2.243 7.774 1.00 0.46 O ATOM 788 OE2 GLU A 53 -8.631 -2.655 7.082 1.00 0.48 O ATOM 0 H GLU A 53 -5.893 1.519 5.946 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.584 1.638 5.305 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.208 0.636 7.811 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -8.906 0.378 7.462 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -8.275 -0.841 5.392 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.583 -0.617 5.793 1.00 0.34 H new ATOM 795 N SER A 54 -7.729 3.412 7.954 1.00 0.35 N ATOM 796 CA SER A 54 -8.140 4.501 8.827 1.00 0.41 C ATOM 797 C SER A 54 -8.414 5.787 8.030 1.00 0.45 C ATOM 798 O SER A 54 -9.418 6.481 8.249 1.00 0.55 O ATOM 799 CB SER A 54 -7.041 4.753 9.849 1.00 0.47 C ATOM 800 OG SER A 54 -6.709 3.554 10.531 1.00 1.19 O ATOM 0 H SER A 54 -6.782 3.074 8.125 1.00 0.35 H new ATOM 0 HA SER A 54 -9.066 4.217 9.327 1.00 0.41 H new ATOM 0 HB2 SER A 54 -6.157 5.151 9.350 1.00 0.47 H new ATOM 0 HB3 SER A 54 -7.369 5.506 10.565 1.00 0.47 H new ATOM 0 HG SER A 54 -6.153 2.991 9.952 1.00 1.19 H new ATOM 806 N ARG A 55 -7.520 6.077 7.115 1.00 0.44 N ATOM 807 CA ARG A 55 -7.560 7.279 6.313 1.00 0.54 C ATOM 808 C ARG A 55 -8.771 7.323 5.361 1.00 0.56 C ATOM 809 O ARG A 55 -9.423 8.345 5.249 1.00 0.68 O ATOM 810 CB ARG A 55 -6.229 7.427 5.565 1.00 0.63 C ATOM 811 CG ARG A 55 -6.056 8.689 4.750 1.00 0.83 C ATOM 812 CD ARG A 55 -4.656 8.739 4.158 1.00 1.08 C ATOM 813 NE ARG A 55 -4.471 9.868 3.245 1.00 1.65 N ATOM 814 CZ ARG A 55 -4.057 9.735 1.975 1.00 2.21 C ATOM 815 NH1 ARG A 55 -3.637 8.552 1.542 1.00 2.35 N ATOM 816 NH2 ARG A 55 -4.025 10.777 1.158 1.00 3.07 N ATOM 0 H ARG A 55 -6.727 5.472 6.902 1.00 0.44 H new ATOM 0 HA ARG A 55 -7.692 8.132 6.978 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -5.420 7.376 6.293 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -6.113 6.571 4.900 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -6.798 8.721 3.952 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -6.225 9.563 5.378 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -3.926 8.806 4.965 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -4.457 7.809 3.625 1.00 1.08 H new ATOM 0 HE ARG A 55 -4.667 10.807 3.593 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -3.630 7.751 2.173 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -3.321 8.444 0.578 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -4.317 11.696 1.491 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -3.708 10.661 0.195 1.00 3.07 H new ATOM 830 N TYR A 56 -9.073 6.226 4.688 1.00 0.50 N ATOM 831 CA TYR A 56 -10.176 6.230 3.718 1.00 0.57 C ATOM 832 C TYR A 56 -11.477 5.603 4.208 1.00 0.61 C ATOM 833 O TYR A 56 -12.546 5.859 3.640 1.00 0.74 O ATOM 834 CB TYR A 56 -9.735 5.670 2.363 1.00 0.62 C ATOM 835 CG TYR A 56 -8.828 6.627 1.636 1.00 0.67 C ATOM 836 CD1 TYR A 56 -9.326 7.587 0.770 1.00 0.75 C ATOM 837 CD2 TYR A 56 -7.458 6.534 1.787 1.00 0.74 C ATOM 838 CE1 TYR A 56 -8.473 8.418 0.075 1.00 0.85 C ATOM 839 CE2 TYR A 56 -6.607 7.364 1.106 1.00 0.85 C ATOM 840 CZ TYR A 56 -7.214 8.472 0.347 1.00 0.91 C ATOM 841 OH TYR A 56 -6.241 9.110 -0.449 1.00 1.01 O ATOM 0 H TYR A 56 -8.587 5.334 4.785 1.00 0.50 H new ATOM 0 HA TYR A 56 -10.427 7.283 3.587 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -9.220 4.721 2.511 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -10.613 5.464 1.751 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -10.393 7.685 0.638 1.00 0.75 H new ATOM 0 HD2 TYR A 56 -7.049 5.791 2.456 1.00 0.74 H new ATOM 0 HE1 TYR A 56 -8.869 9.038 -0.716 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -5.538 7.213 1.125 1.00 0.85 H new ATOM 0 HH TYR A 56 -6.150 10.045 -0.168 1.00 1.01 H new ATOM 851 N GLY A 57 -11.408 4.810 5.244 1.00 0.58 N ATOM 852 CA GLY A 57 -12.602 4.187 5.764 1.00 0.66 C ATOM 853 C GLY A 57 -12.940 2.927 5.008 1.00 0.71 C ATOM 854 O GLY A 57 -13.987 2.840 4.356 1.00 0.93 O ATOM 0 H GLY A 57 -10.548 4.580 5.742 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.462 3.953 6.819 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -13.436 4.886 5.700 1.00 0.66 H new ATOM 858 N VAL A 58 -12.043 1.965 5.072 1.00 0.60 N ATOM 859 CA VAL A 58 -12.201 0.669 4.415 1.00 0.65 C ATOM 860 C VAL A 58 -11.715 -0.438 5.324 1.00 0.60 C ATOM 861 O VAL A 58 -11.230 -0.157 6.428 1.00 0.70 O ATOM 862 CB VAL A 58 -11.505 0.555 3.017 1.00 0.69 C ATOM 863 CG1 VAL A 58 -12.209 1.414 1.984 1.00 1.09 C ATOM 864 CG2 VAL A 58 -10.026 0.933 3.103 1.00 1.16 C ATOM 0 H VAL A 58 -11.168 2.056 5.588 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.269 0.569 4.222 1.00 0.65 H new ATOM 0 HB VAL A 58 -11.574 -0.486 2.702 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -11.704 1.315 1.023 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -13.245 1.089 1.885 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -12.185 2.457 2.301 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -9.570 0.844 2.117 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -9.933 1.961 3.455 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -9.519 0.264 3.799 1.00 1.16 H new ATOM 874 N SER A 59 -11.841 -1.669 4.875 1.00 0.62 N ATOM 875 CA SER A 59 -11.429 -2.817 5.644 1.00 0.67 C ATOM 876 C SER A 59 -10.766 -3.847 4.726 1.00 0.59 C ATOM 877 O SER A 59 -11.383 -4.369 3.805 1.00 0.72 O ATOM 878 CB SER A 59 -12.641 -3.416 6.356 1.00 0.92 C ATOM 879 OG SER A 59 -13.249 -2.446 7.211 1.00 1.87 O ATOM 0 H SER A 59 -12.234 -1.899 3.962 1.00 0.62 H new ATOM 0 HA SER A 59 -10.701 -2.514 6.396 1.00 0.67 H new ATOM 0 HB2 SER A 59 -13.365 -3.766 5.621 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.335 -4.284 6.940 1.00 0.92 H new ATOM 0 HG SER A 59 -14.024 -2.845 7.658 1.00 1.87 H new ATOM 885 N ILE A 60 -9.507 -4.082 4.965 1.00 0.48 N ATOM 886 CA ILE A 60 -8.698 -4.981 4.163 1.00 0.45 C ATOM 887 C ILE A 60 -8.545 -6.332 4.870 1.00 0.51 C ATOM 888 O ILE A 60 -8.243 -6.370 6.062 1.00 0.57 O ATOM 889 CB ILE A 60 -7.298 -4.348 3.928 1.00 0.40 C ATOM 890 CG1 ILE A 60 -7.454 -3.007 3.197 1.00 0.40 C ATOM 891 CG2 ILE A 60 -6.380 -5.291 3.144 1.00 0.43 C ATOM 892 CD1 ILE A 60 -6.172 -2.229 3.068 1.00 0.41 C ATOM 0 H ILE A 60 -8.996 -3.650 5.735 1.00 0.48 H new ATOM 0 HA ILE A 60 -9.190 -5.142 3.204 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.831 -4.175 4.898 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.857 -3.192 2.201 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -8.185 -2.398 3.728 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -5.410 -4.816 2.998 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -6.250 -6.219 3.701 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.826 -5.510 2.174 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.365 -1.295 2.541 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.777 -2.011 4.060 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.444 -2.817 2.509 1.00 0.41 H new ATOM 904 N PRO A 61 -8.799 -7.452 4.167 1.00 0.58 N ATOM 905 CA PRO A 61 -8.619 -8.802 4.726 1.00 0.66 C ATOM 906 C PRO A 61 -7.159 -9.041 5.183 1.00 0.56 C ATOM 907 O PRO A 61 -6.209 -8.849 4.406 1.00 0.44 O ATOM 908 CB PRO A 61 -8.994 -9.721 3.562 1.00 0.78 C ATOM 909 CG PRO A 61 -9.844 -8.888 2.671 1.00 0.87 C ATOM 910 CD PRO A 61 -9.310 -7.497 2.784 1.00 0.66 C ATOM 0 HA PRO A 61 -9.225 -8.972 5.616 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -8.106 -10.078 3.040 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -9.533 -10.601 3.912 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -9.797 -9.243 1.641 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -10.890 -8.931 2.975 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.522 -7.306 2.056 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -10.087 -6.751 2.616 1.00 0.66 H new ATOM 918 N ASP A 62 -7.019 -9.462 6.441 1.00 0.67 N ATOM 919 CA ASP A 62 -5.720 -9.619 7.144 1.00 0.67 C ATOM 920 C ASP A 62 -4.705 -10.438 6.371 1.00 0.54 C ATOM 921 O ASP A 62 -3.590 -9.993 6.123 1.00 0.52 O ATOM 922 CB ASP A 62 -5.899 -10.302 8.504 1.00 0.90 C ATOM 923 CG ASP A 62 -6.812 -9.589 9.476 1.00 1.18 C ATOM 924 OD1 ASP A 62 -8.018 -9.485 9.209 1.00 1.29 O ATOM 925 OD2 ASP A 62 -6.326 -9.048 10.493 1.00 1.83 O ATOM 0 H ASP A 62 -7.818 -9.712 7.024 1.00 0.67 H new ATOM 0 HA ASP A 62 -5.348 -8.601 7.255 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -6.288 -11.307 8.338 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -4.919 -10.412 8.967 1.00 0.90 H new ATOM 930 N ASP A 63 -5.094 -11.622 5.983 1.00 0.56 N ATOM 931 CA ASP A 63 -4.187 -12.567 5.346 1.00 0.55 C ATOM 932 C ASP A 63 -3.841 -12.145 3.939 1.00 0.44 C ATOM 933 O ASP A 63 -2.750 -12.433 3.448 1.00 0.46 O ATOM 934 CB ASP A 63 -4.743 -13.999 5.379 1.00 0.75 C ATOM 935 CG ASP A 63 -4.834 -14.555 6.784 1.00 1.54 C ATOM 936 OD1 ASP A 63 -5.846 -14.327 7.479 1.00 2.34 O ATOM 937 OD2 ASP A 63 -3.886 -15.216 7.242 1.00 1.84 O ATOM 0 H ASP A 63 -6.047 -11.969 6.095 1.00 0.56 H new ATOM 0 HA ASP A 63 -3.263 -12.563 5.925 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -5.733 -14.011 4.922 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -4.106 -14.646 4.776 1.00 0.75 H new ATOM 942 N VAL A 64 -4.742 -11.432 3.295 1.00 0.41 N ATOM 943 CA VAL A 64 -4.475 -10.933 1.952 1.00 0.40 C ATOM 944 C VAL A 64 -3.466 -9.792 2.052 1.00 0.34 C ATOM 945 O VAL A 64 -2.553 -9.670 1.225 1.00 0.41 O ATOM 946 CB VAL A 64 -5.750 -10.415 1.252 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.460 -10.099 -0.203 1.00 0.65 C ATOM 948 CG2 VAL A 64 -6.872 -11.415 1.359 1.00 0.66 C ATOM 0 H VAL A 64 -5.658 -11.184 3.670 1.00 0.41 H new ATOM 0 HA VAL A 64 -4.087 -11.759 1.357 1.00 0.40 H new ATOM 0 HB VAL A 64 -6.065 -9.501 1.755 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.368 -9.735 -0.684 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -4.686 -9.334 -0.262 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -5.118 -11.001 -0.710 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.757 -11.024 0.857 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -6.572 -12.351 0.888 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -7.100 -11.595 2.410 1.00 0.66 H new ATOM 958 N ALA A 65 -3.618 -8.995 3.106 1.00 0.33 N ATOM 959 CA ALA A 65 -2.723 -7.881 3.419 1.00 0.39 C ATOM 960 C ALA A 65 -1.272 -8.358 3.585 1.00 0.41 C ATOM 961 O ALA A 65 -0.335 -7.595 3.397 1.00 0.51 O ATOM 962 CB ALA A 65 -3.197 -7.174 4.690 1.00 0.46 C ATOM 0 H ALA A 65 -4.377 -9.105 3.778 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.749 -7.180 2.585 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -2.526 -6.346 4.917 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -4.207 -6.792 4.539 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -3.196 -7.880 5.521 1.00 0.46 H new ATOM 968 N GLY A 66 -1.105 -9.623 3.936 1.00 0.40 N ATOM 969 CA GLY A 66 0.216 -10.181 4.105 1.00 0.48 C ATOM 970 C GLY A 66 0.594 -11.135 2.987 1.00 0.48 C ATOM 971 O GLY A 66 1.568 -11.878 3.103 1.00 0.61 O ATOM 0 H GLY A 66 -1.869 -10.277 4.108 1.00 0.40 H new ATOM 0 HA2 GLY A 66 0.945 -9.372 4.149 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.265 -10.707 5.058 1.00 0.48 H new ATOM 975 N ARG A 67 -0.186 -11.143 1.920 1.00 0.43 N ATOM 976 CA ARG A 67 0.103 -12.005 0.780 1.00 0.48 C ATOM 977 C ARG A 67 0.669 -11.185 -0.384 1.00 0.36 C ATOM 978 O ARG A 67 1.350 -11.707 -1.262 1.00 0.40 O ATOM 979 CB ARG A 67 -1.160 -12.771 0.340 1.00 0.64 C ATOM 980 CG ARG A 67 -0.932 -13.721 -0.832 1.00 1.16 C ATOM 981 CD ARG A 67 -2.193 -14.473 -1.245 1.00 1.45 C ATOM 982 NE ARG A 67 -3.316 -13.582 -1.606 1.00 2.16 N ATOM 983 CZ ARG A 67 -3.445 -12.908 -2.764 1.00 3.05 C ATOM 984 NH1 ARG A 67 -2.518 -13.014 -3.713 1.00 3.43 N ATOM 985 NH2 ARG A 67 -4.524 -12.162 -2.981 1.00 3.98 N ATOM 0 H ARG A 67 -1.021 -10.567 1.816 1.00 0.43 H new ATOM 0 HA ARG A 67 0.854 -12.734 1.085 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -1.541 -13.341 1.188 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -1.932 -12.052 0.067 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -0.558 -13.154 -1.685 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -0.158 -14.440 -0.564 1.00 1.16 H new ATOM 0 HD2 ARG A 67 -1.962 -15.116 -2.094 1.00 1.45 H new ATOM 0 HD3 ARG A 67 -2.503 -15.124 -0.427 1.00 1.45 H new ATOM 0 HE ARG A 67 -4.059 -13.468 -0.916 1.00 2.16 H new ATOM 0 HH11 ARG A 67 -1.703 -13.609 -3.565 1.00 3.43 H new ATOM 0 HH12 ARG A 67 -2.623 -12.500 -4.588 1.00 3.43 H new ATOM 0 HH21 ARG A 67 -5.253 -12.101 -2.270 1.00 3.98 H new ATOM 0 HH22 ARG A 67 -4.623 -11.651 -3.858 1.00 3.98 H new ATOM 999 N VAL A 68 0.400 -9.909 -0.368 1.00 0.33 N ATOM 1000 CA VAL A 68 0.810 -9.019 -1.440 1.00 0.34 C ATOM 1001 C VAL A 68 2.318 -8.685 -1.347 1.00 0.35 C ATOM 1002 O VAL A 68 2.799 -8.150 -0.350 1.00 0.44 O ATOM 1003 CB VAL A 68 -0.077 -7.730 -1.455 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.519 -8.095 -1.782 1.00 0.38 C ATOM 1005 CG2 VAL A 68 -0.037 -7.001 -0.121 1.00 0.41 C ATOM 0 H VAL A 68 -0.110 -9.448 0.386 1.00 0.33 H new ATOM 0 HA VAL A 68 0.659 -9.533 -2.389 1.00 0.34 H new ATOM 0 HB VAL A 68 0.325 -7.066 -2.220 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -2.130 -7.192 -1.790 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -1.561 -8.571 -2.762 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -1.900 -8.784 -1.028 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.666 -6.112 -0.173 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.405 -7.660 0.665 1.00 0.41 H new ATOM 0 HG23 VAL A 68 0.989 -6.707 0.103 1.00 0.41 H new ATOM 1015 N ASP A 69 3.071 -9.108 -2.344 1.00 0.36 N ATOM 1016 CA ASP A 69 4.523 -8.870 -2.376 1.00 0.40 C ATOM 1017 C ASP A 69 4.842 -7.673 -3.225 1.00 0.32 C ATOM 1018 O ASP A 69 5.888 -7.023 -3.067 1.00 0.32 O ATOM 1019 CB ASP A 69 5.287 -10.100 -2.876 1.00 0.57 C ATOM 1020 CG ASP A 69 6.803 -9.925 -2.848 1.00 1.13 C ATOM 1021 OD1 ASP A 69 7.394 -9.944 -1.756 1.00 1.27 O ATOM 1022 OD2 ASP A 69 7.417 -9.699 -3.917 1.00 1.91 O ATOM 0 H ASP A 69 2.712 -9.620 -3.150 1.00 0.36 H new ATOM 0 HA ASP A 69 4.847 -8.673 -1.354 1.00 0.40 H new ATOM 0 HB2 ASP A 69 5.017 -10.960 -2.263 1.00 0.57 H new ATOM 0 HB3 ASP A 69 4.973 -10.324 -3.896 1.00 0.57 H new ATOM 1027 N THR A 70 3.956 -7.372 -4.120 1.00 0.32 N ATOM 1028 CA THR A 70 4.131 -6.257 -4.982 1.00 0.31 C ATOM 1029 C THR A 70 3.039 -5.215 -4.753 1.00 0.27 C ATOM 1030 O THR A 70 1.882 -5.559 -4.446 1.00 0.29 O ATOM 1031 CB THR A 70 4.183 -6.707 -6.454 1.00 0.41 C ATOM 1032 OG1 THR A 70 2.988 -7.417 -6.801 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.364 -7.617 -6.650 1.00 0.47 C ATOM 0 H THR A 70 3.093 -7.894 -4.270 1.00 0.32 H new ATOM 0 HA THR A 70 5.086 -5.788 -4.746 1.00 0.31 H new ATOM 0 HB THR A 70 4.273 -5.826 -7.089 1.00 0.41 H new ATOM 0 HG1 THR A 70 2.799 -8.094 -6.118 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.406 -7.939 -7.690 1.00 0.47 H new ATOM 0 HG22 THR A 70 6.280 -7.083 -6.398 1.00 0.47 H new ATOM 0 HG23 THR A 70 5.263 -8.489 -6.004 1.00 0.47 H new ATOM 1041 N PRO A 71 3.390 -3.923 -4.858 1.00 0.25 N ATOM 1042 CA PRO A 71 2.461 -2.827 -4.662 1.00 0.24 C ATOM 1043 C PRO A 71 1.301 -2.880 -5.623 1.00 0.21 C ATOM 1044 O PRO A 71 0.236 -2.428 -5.290 1.00 0.25 O ATOM 1045 CB PRO A 71 3.304 -1.573 -4.887 1.00 0.29 C ATOM 1046 CG PRO A 71 4.688 -2.026 -4.651 1.00 0.32 C ATOM 1047 CD PRO A 71 4.736 -3.432 -5.138 1.00 0.30 C ATOM 0 HA PRO A 71 2.006 -2.859 -3.672 1.00 0.24 H new ATOM 0 HB2 PRO A 71 3.178 -1.184 -5.897 1.00 0.29 H new ATOM 0 HB3 PRO A 71 3.023 -0.775 -4.200 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.402 -1.401 -5.187 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.945 -1.968 -3.593 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.971 -3.483 -6.201 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.495 -4.014 -4.615 1.00 0.30 H new ATOM 1055 N ARG A 72 1.520 -3.412 -6.831 1.00 0.22 N ATOM 1056 CA ARG A 72 0.426 -3.595 -7.787 1.00 0.26 C ATOM 1057 C ARG A 72 -0.722 -4.410 -7.173 1.00 0.25 C ATOM 1058 O ARG A 72 -1.876 -4.024 -7.281 1.00 0.29 O ATOM 1059 CB ARG A 72 0.899 -4.173 -9.138 1.00 0.40 C ATOM 1060 CG ARG A 72 1.648 -5.488 -9.054 1.00 0.92 C ATOM 1061 CD ARG A 72 2.041 -6.000 -10.433 1.00 0.95 C ATOM 1062 NE ARG A 72 2.882 -5.045 -11.177 1.00 0.67 N ATOM 1063 CZ ARG A 72 4.081 -5.319 -11.709 1.00 0.93 C ATOM 1064 NH1 ARG A 72 4.646 -6.509 -11.527 1.00 1.48 N ATOM 1065 NH2 ARG A 72 4.718 -4.390 -12.416 1.00 1.29 N ATOM 0 H ARG A 72 2.433 -3.719 -7.165 1.00 0.22 H new ATOM 0 HA ARG A 72 0.036 -2.602 -8.013 1.00 0.26 H new ATOM 0 HB2 ARG A 72 0.029 -4.310 -9.780 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.541 -3.438 -9.624 1.00 0.40 H new ATOM 0 HG2 ARG A 72 2.543 -5.359 -8.445 1.00 0.92 H new ATOM 0 HG3 ARG A 72 1.026 -6.230 -8.554 1.00 0.92 H new ATOM 0 HD2 ARG A 72 2.577 -6.943 -10.327 1.00 0.95 H new ATOM 0 HD3 ARG A 72 1.139 -6.209 -11.009 1.00 0.95 H new ATOM 0 HE ARG A 72 2.522 -4.098 -11.297 1.00 0.67 H new ATOM 0 HH11 ARG A 72 4.166 -7.223 -10.978 1.00 1.48 H new ATOM 0 HH12 ARG A 72 5.559 -6.708 -11.936 1.00 1.48 H new ATOM 0 HH21 ARG A 72 4.294 -3.472 -12.552 1.00 1.29 H new ATOM 0 HH22 ARG A 72 5.631 -4.595 -12.822 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.373 -5.502 -6.480 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.352 -6.362 -5.811 1.00 0.28 C ATOM 1081 C GLU A 73 -2.034 -5.593 -4.692 1.00 0.26 C ATOM 1082 O GLU A 73 -3.249 -5.601 -4.568 1.00 0.28 O ATOM 1083 CB GLU A 73 -0.658 -7.573 -5.200 1.00 0.34 C ATOM 1084 CG GLU A 73 0.089 -8.444 -6.173 1.00 0.44 C ATOM 1085 CD GLU A 73 0.934 -9.470 -5.463 1.00 1.22 C ATOM 1086 OE1 GLU A 73 1.986 -9.113 -4.889 1.00 2.13 O ATOM 1087 OE2 GLU A 73 0.546 -10.653 -5.450 1.00 1.24 O ATOM 0 H GLU A 73 0.593 -5.811 -6.369 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.085 -6.686 -6.550 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.040 -7.225 -4.439 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.406 -8.182 -4.692 1.00 0.34 H new ATOM 0 HG2 GLU A 73 -0.620 -8.947 -6.830 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.724 -7.823 -6.805 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.223 -4.902 -3.905 1.00 0.26 N ATOM 1095 CA LEU A 74 -1.698 -4.167 -2.742 1.00 0.28 C ATOM 1096 C LEU A 74 -2.600 -3.003 -3.172 1.00 0.26 C ATOM 1097 O LEU A 74 -3.672 -2.802 -2.596 1.00 0.29 O ATOM 1098 CB LEU A 74 -0.471 -3.719 -1.880 1.00 0.31 C ATOM 1099 CG LEU A 74 -0.710 -2.941 -0.553 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.024 -1.483 -0.797 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -1.809 -3.600 0.279 1.00 0.90 C ATOM 0 H LEU A 74 -0.216 -4.835 -4.055 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.318 -4.808 -2.115 1.00 0.28 H new ATOM 0 HB2 LEU A 74 0.101 -4.614 -1.635 1.00 0.31 H new ATOM 0 HB3 LEU A 74 0.164 -3.099 -2.513 1.00 0.31 H new ATOM 0 HG LEU A 74 0.221 -2.982 0.012 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -1.183 -0.980 0.157 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -0.190 -1.014 -1.320 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -1.925 -1.402 -1.405 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -1.955 -3.036 1.200 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -2.738 -3.612 -0.290 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -1.518 -4.622 0.521 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.170 -2.263 -4.184 1.00 0.23 N ATOM 1114 CA LEU A 75 -2.947 -1.172 -4.743 1.00 0.23 C ATOM 1115 C LEU A 75 -4.285 -1.691 -5.198 1.00 0.24 C ATOM 1116 O LEU A 75 -5.315 -1.218 -4.748 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.217 -0.518 -5.933 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.939 0.660 -6.609 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -3.103 1.825 -5.647 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -2.199 1.099 -7.861 1.00 0.34 C ATOM 0 H LEU A 75 -1.269 -2.405 -4.640 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.082 -0.417 -3.969 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.243 -0.170 -5.588 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.034 -1.285 -6.686 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.933 0.321 -6.900 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.616 2.644 -6.151 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.689 1.505 -4.785 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -2.122 2.163 -5.314 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.728 1.933 -8.322 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -1.189 1.412 -7.596 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -2.149 0.268 -8.564 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.247 -2.716 -6.036 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.446 -3.322 -6.613 1.00 0.25 C ATOM 1134 C ASP A 76 -6.380 -3.872 -5.534 1.00 0.27 C ATOM 1135 O ASP A 76 -7.598 -3.748 -5.640 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.065 -4.412 -7.609 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.261 -5.068 -8.243 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -6.907 -4.444 -9.095 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -6.600 -6.219 -7.869 1.00 0.57 O ATOM 0 H ASP A 76 -3.379 -3.157 -6.339 1.00 0.22 H new ATOM 0 HA ASP A 76 -5.990 -2.540 -7.143 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.437 -3.981 -8.389 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.468 -5.169 -7.101 1.00 0.33 H new ATOM 1144 N LEU A 77 -5.801 -4.439 -4.491 1.00 0.30 N ATOM 1145 CA LEU A 77 -6.549 -4.940 -3.345 1.00 0.36 C ATOM 1146 C LEU A 77 -7.321 -3.804 -2.670 1.00 0.34 C ATOM 1147 O LEU A 77 -8.531 -3.905 -2.437 1.00 0.38 O ATOM 1148 CB LEU A 77 -5.591 -5.587 -2.338 1.00 0.47 C ATOM 1149 CG LEU A 77 -6.201 -6.061 -1.019 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -7.237 -7.154 -1.250 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -5.106 -6.531 -0.076 1.00 1.96 C ATOM 0 H LEU A 77 -4.792 -4.567 -4.412 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.262 -5.687 -3.695 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.116 -6.442 -2.820 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -4.802 -4.871 -2.110 1.00 0.47 H new ATOM 0 HG LEU A 77 -6.717 -5.220 -0.556 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -7.652 -7.470 -0.293 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -8.036 -6.770 -1.883 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -6.764 -8.006 -1.739 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -5.552 -6.866 0.861 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -4.560 -7.356 -0.534 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -4.419 -5.708 0.123 1.00 1.96 H new ATOM 1163 N ILE A 78 -6.629 -2.715 -2.387 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.255 -1.571 -1.744 1.00 0.34 C ATOM 1165 C ILE A 78 -8.205 -0.892 -2.723 1.00 0.31 C ATOM 1166 O ILE A 78 -9.231 -0.358 -2.338 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.205 -0.571 -1.200 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.234 -1.322 -0.284 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -6.889 0.568 -0.431 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.123 -0.479 0.282 1.00 0.55 C ATOM 0 H ILE A 78 -5.637 -2.597 -2.591 1.00 0.32 H new ATOM 0 HA ILE A 78 -7.823 -1.928 -0.885 1.00 0.34 H new ATOM 0 HB ILE A 78 -5.659 -0.131 -2.034 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -5.798 -1.757 0.541 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -4.796 -2.149 -0.842 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.134 1.259 -0.057 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -7.570 1.099 -1.097 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -7.450 0.155 0.408 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -3.487 -1.095 0.917 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -3.530 -0.064 -0.533 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -4.547 0.334 0.872 1.00 0.55 H new ATOM 1182 N ASN A 79 -7.871 -0.961 -3.997 1.00 0.29 N ATOM 1183 CA ASN A 79 -8.736 -0.460 -5.063 1.00 0.31 C ATOM 1184 C ASN A 79 -10.038 -1.232 -5.067 1.00 0.32 C ATOM 1185 O ASN A 79 -11.090 -0.660 -5.228 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.057 -0.539 -6.451 1.00 0.34 C ATOM 1187 CG ASN A 79 -7.059 0.591 -6.748 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -6.472 1.185 -5.737 1.00 1.14 O flip ATOM 1189 ND2 ASN A 79 -6.839 0.938 -7.896 1.00 0.52 N flip ATOM 0 H ASN A 79 -6.995 -1.364 -4.329 1.00 0.29 H new ATOM 0 HA ASN A 79 -8.935 0.593 -4.865 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.537 -1.494 -6.531 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -8.831 -0.532 -7.219 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -7.305 0.464 -8.670 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -6.189 1.702 -8.082 1.00 0.52 H new ATOM 1196 N GLY A 80 -9.948 -2.531 -4.841 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.125 -3.372 -4.757 1.00 0.42 C ATOM 1198 C GLY A 80 -11.973 -3.037 -3.545 1.00 0.45 C ATOM 1199 O GLY A 80 -13.204 -3.008 -3.622 1.00 0.53 O ATOM 0 H GLY A 80 -9.066 -3.027 -4.712 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -11.721 -3.253 -5.662 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -10.822 -4.418 -4.710 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.313 -2.743 -2.432 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.001 -2.359 -1.206 1.00 0.52 C ATOM 1205 C ALA A 81 -12.652 -0.985 -1.374 1.00 0.51 C ATOM 1206 O ALA A 81 -13.765 -0.741 -0.897 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.031 -2.356 -0.029 1.00 0.59 C ATOM 0 H ALA A 81 -10.296 -2.763 -2.353 1.00 0.44 H new ATOM 0 HA ALA A 81 -12.784 -3.089 -1.000 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -11.561 -2.067 0.879 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -10.610 -3.353 0.098 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.227 -1.645 -0.222 1.00 0.59 H new ATOM 1213 N LEU A 82 -11.964 -0.103 -2.072 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.470 1.219 -2.377 1.00 0.56 C ATOM 1215 C LEU A 82 -13.533 1.162 -3.469 1.00 0.59 C ATOM 1216 O LEU A 82 -14.304 2.086 -3.628 1.00 0.75 O ATOM 1217 CB LEU A 82 -11.327 2.148 -2.776 1.00 0.63 C ATOM 1218 CG LEU A 82 -10.365 2.551 -1.655 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -9.163 3.265 -2.223 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -11.069 3.457 -0.663 1.00 1.10 C ATOM 0 H LEU A 82 -11.032 -0.285 -2.445 1.00 0.48 H new ATOM 0 HA LEU A 82 -12.940 1.619 -1.479 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -10.751 1.664 -3.565 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -11.755 3.055 -3.204 1.00 0.63 H new ATOM 0 HG LEU A 82 -10.033 1.646 -1.146 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -8.489 3.545 -1.413 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -8.642 2.605 -2.917 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -9.488 4.162 -2.750 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -10.375 3.737 0.130 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -11.418 4.354 -1.174 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -11.921 2.931 -0.231 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.534 0.090 -4.247 1.00 0.57 N ATOM 1233 CA ALA A 83 -14.569 -0.148 -5.249 1.00 0.67 C ATOM 1234 C ALA A 83 -15.914 -0.406 -4.578 1.00 0.72 C ATOM 1235 O ALA A 83 -16.971 -0.171 -5.164 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.195 -1.303 -6.167 1.00 0.76 C ATOM 0 H ALA A 83 -12.821 -0.639 -4.204 1.00 0.57 H new ATOM 0 HA ALA A 83 -14.654 0.749 -5.862 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -14.986 -1.455 -6.902 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.262 -1.072 -6.681 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.069 -2.211 -5.577 1.00 0.76 H new ATOM 1242 N GLU A 84 -15.861 -0.917 -3.363 1.00 0.77 N ATOM 1243 CA GLU A 84 -17.056 -1.167 -2.570 1.00 0.95 C ATOM 1244 C GLU A 84 -17.462 0.089 -1.812 1.00 1.08 C ATOM 1245 O GLU A 84 -18.621 0.262 -1.428 1.00 1.35 O ATOM 1246 CB GLU A 84 -16.807 -2.309 -1.585 1.00 1.11 C ATOM 1247 CG GLU A 84 -16.600 -3.656 -2.243 1.00 1.33 C ATOM 1248 CD GLU A 84 -17.822 -4.104 -2.998 1.00 1.89 C ATOM 1249 OE1 GLU A 84 -18.806 -4.513 -2.356 1.00 2.24 O ATOM 1250 OE2 GLU A 84 -17.832 -4.059 -4.239 1.00 2.44 O ATOM 0 H GLU A 84 -14.991 -1.171 -2.895 1.00 0.77 H new ATOM 0 HA GLU A 84 -17.865 -1.449 -3.244 1.00 0.95 H new ATOM 0 HB2 GLU A 84 -15.930 -2.071 -0.984 1.00 1.11 H new ATOM 0 HB3 GLU A 84 -17.653 -2.376 -0.901 1.00 1.11 H new ATOM 0 HG2 GLU A 84 -15.752 -3.601 -2.925 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -16.350 -4.397 -1.483 1.00 1.33 H new ATOM 1257 N ALA A 85 -16.510 0.961 -1.617 1.00 1.14 N ATOM 1258 CA ALA A 85 -16.733 2.184 -0.902 1.00 1.38 C ATOM 1259 C ALA A 85 -17.110 3.279 -1.876 1.00 1.73 C ATOM 1260 O ALA A 85 -16.905 3.145 -3.083 1.00 2.12 O ATOM 1261 CB ALA A 85 -15.488 2.569 -0.119 1.00 1.46 C ATOM 0 H ALA A 85 -15.554 0.841 -1.952 1.00 1.14 H new ATOM 0 HA ALA A 85 -17.551 2.044 -0.195 1.00 1.38 H new ATOM 0 HB1 ALA A 85 -15.670 3.499 0.419 1.00 1.46 H new ATOM 0 HB2 ALA A 85 -15.247 1.779 0.592 1.00 1.46 H new ATOM 0 HB3 ALA A 85 -14.653 2.705 -0.807 1.00 1.46 H new ATOM 1267 N ALA A 86 -17.677 4.322 -1.369 1.00 2.21 N ATOM 1268 CA ALA A 86 -18.073 5.452 -2.157 1.00 2.74 C ATOM 1269 C ALA A 86 -18.156 6.642 -1.234 1.00 3.28 C ATOM 1270 O ALA A 86 -19.271 7.002 -0.804 1.00 3.60 O ATOM 1271 CB ALA A 86 -19.427 5.190 -2.818 1.00 3.25 C ATOM 1272 OXT ALA A 86 -17.110 7.159 -0.836 1.00 3.84 O ATOM 0 H ALA A 86 -17.885 4.420 -0.375 1.00 2.21 H new ATOM 0 HA ALA A 86 -17.350 5.638 -2.951 1.00 2.74 H new ATOM 0 HB1 ALA A 86 -19.715 6.057 -3.413 1.00 3.25 H new ATOM 0 HB2 ALA A 86 -19.354 4.315 -3.463 1.00 3.25 H new ATOM 0 HB3 ALA A 86 -20.179 5.012 -2.049 1.00 3.25 H new TER 1278 ALA A 86