USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 754 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 74 ASN : amide:sc= 0 X(o=0.53,f=0.91) USER MOD Set 1.2: A 76 THR OG1 : rot 68:sc= 0.53 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.02 K(o=-0.02,f=-0.68) USER MOD Single : A 14 MET CE :methyl -154:sc= -0.138 (180deg=-1.57!) USER MOD Single : A 20 GLN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 12:sc= 0.772 USER MOD Single : A 66 MET CE :methyl -111:sc= -1.04 (180deg=-2.77!) USER MOD Single : A 67 MET CE :methyl -149:sc= -1.61 (180deg=-4.99!) USER MOD Single : A 70 THR OG1 : rot -61:sc= -0.149 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -51:sc= 1.25 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc=-0.00922 K(o=-0.0092,f=-0.54) USER MOD Single : A 90 SER OG : rot 66:sc= -0.759 USER MOD Single : A 93 ASN : amide:sc= -2.19 X(o=-2.2,f=-2.2!) USER MOD Single : A 95 ASN : amide:sc= -0.588 K(o=-0.59,f=-2.4!) USER MOD Single : A 96 TYR OH : rot 180:sc= -2.74! USER MOD Single : A 99 GLN : amide:sc= -2.19 X(o=-2.2,f=-2.4) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -153:sc= -5.81! (180deg=-7.14!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.5!) USER MOD Single : A 131 CYS SG : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -169:sc= -0.585 USER MOD ----------------------------------------------------------------- ATOM 69 N LYS A 4 4.036 4.816 -6.999 1.00 52.44 N ATOM 70 CA LYS A 4 5.307 5.495 -6.778 1.00 41.55 C ATOM 71 C LYS A 4 6.135 4.771 -5.722 1.00 33.32 C ATOM 72 O LYS A 4 6.780 5.402 -4.885 1.00 20.13 O ATOM 73 CB LYS A 4 5.067 6.944 -6.348 1.00 52.30 C ATOM 74 CG LYS A 4 4.073 7.683 -7.227 1.00 51.24 C ATOM 75 CD LYS A 4 4.080 9.176 -6.944 1.00 42.03 C ATOM 76 CE LYS A 4 2.748 9.817 -7.301 1.00 50.42 C ATOM 77 NZ LYS A 4 2.492 9.785 -8.768 1.00 1.22 N ATOM 0 HA LYS A 4 5.861 5.488 -7.716 1.00 41.55 H new ATOM 0 HB2 LYS A 4 4.707 6.954 -5.319 1.00 52.30 H new ATOM 0 HB3 LYS A 4 6.016 7.479 -6.358 1.00 52.30 H new ATOM 0 HG2 LYS A 4 4.314 7.510 -8.276 1.00 51.24 H new ATOM 0 HG3 LYS A 4 3.072 7.285 -7.060 1.00 51.24 H new ATOM 0 HD2 LYS A 4 4.296 9.346 -5.889 1.00 42.03 H new ATOM 0 HD3 LYS A 4 4.878 9.652 -7.514 1.00 42.03 H new ATOM 0 HE2 LYS A 4 1.944 9.297 -6.781 1.00 50.42 H new ATOM 0 HE3 LYS A 4 2.737 10.850 -6.953 1.00 50.42 H new ATOM 0 HZ1 LYS A 4 1.575 10.231 -8.970 1.00 1.22 H new ATOM 0 HZ2 LYS A 4 3.246 10.303 -9.263 1.00 1.22 H new ATOM 0 HZ3 LYS A 4 2.477 8.798 -9.096 1.00 1.22 H new ATOM 91 N ASP A 5 6.112 3.443 -5.767 1.00 43.35 N ATOM 92 CA ASP A 5 6.863 2.633 -4.815 1.00 71.35 C ATOM 93 C ASP A 5 8.315 2.480 -5.258 1.00 10.44 C ATOM 94 O ASP A 5 8.767 1.378 -5.569 1.00 33.12 O ATOM 95 CB ASP A 5 6.216 1.255 -4.664 1.00 53.32 C ATOM 96 CG ASP A 5 6.691 0.525 -3.423 1.00 50.43 C ATOM 97 OD1 ASP A 5 7.341 1.166 -2.570 1.00 75.10 O ATOM 98 OD2 ASP A 5 6.413 -0.686 -3.305 1.00 33.01 O ATOM 0 H ASP A 5 5.582 2.905 -6.452 1.00 43.35 H new ATOM 0 HA ASP A 5 6.847 3.142 -3.851 1.00 71.35 H new ATOM 0 HB2 ASP A 5 5.133 1.368 -4.623 1.00 53.32 H new ATOM 0 HB3 ASP A 5 6.441 0.653 -5.544 1.00 53.32 H new ATOM 103 N ILE A 6 9.040 3.594 -5.284 1.00 30.52 N ATOM 104 CA ILE A 6 10.440 3.583 -5.688 1.00 4.22 C ATOM 105 C ILE A 6 11.362 3.698 -4.479 1.00 24.14 C ATOM 106 O ILE A 6 10.902 3.829 -3.344 1.00 72.34 O ATOM 107 CB ILE A 6 10.752 4.730 -6.668 1.00 22.24 C ATOM 108 CG1 ILE A 6 10.275 6.065 -6.093 1.00 33.03 C ATOM 109 CG2 ILE A 6 10.102 4.465 -8.017 1.00 53.01 C ATOM 110 CD1 ILE A 6 11.021 7.261 -6.642 1.00 74.22 C ATOM 0 H ILE A 6 8.681 4.514 -5.030 1.00 30.52 H new ATOM 0 HA ILE A 6 10.617 2.630 -6.188 1.00 4.22 H new ATOM 0 HB ILE A 6 11.831 4.783 -6.811 1.00 22.24 H new ATOM 0 HG12 ILE A 6 9.212 6.183 -6.303 1.00 33.03 H new ATOM 0 HG13 ILE A 6 10.385 6.045 -5.009 1.00 33.03 H new ATOM 0 HG21 ILE A 6 10.331 5.284 -8.699 1.00 53.01 H new ATOM 0 HG22 ILE A 6 10.486 3.532 -8.429 1.00 53.01 H new ATOM 0 HG23 ILE A 6 9.022 4.389 -7.892 1.00 53.01 H new ATOM 0 HD11 ILE A 6 10.630 8.173 -6.190 1.00 74.22 H new ATOM 0 HD12 ILE A 6 12.082 7.167 -6.409 1.00 74.22 H new ATOM 0 HD13 ILE A 6 10.890 7.307 -7.723 1.00 74.22 H new ATOM 122 N ARG A 7 12.667 3.650 -4.729 1.00 74.31 N ATOM 123 CA ARG A 7 13.654 3.749 -3.661 1.00 71.10 C ATOM 124 C ARG A 7 14.331 5.116 -3.672 1.00 11.44 C ATOM 125 O ARG A 7 15.549 5.219 -3.522 1.00 34.53 O ATOM 126 CB ARG A 7 14.705 2.647 -3.805 1.00 71.40 C ATOM 127 CG ARG A 7 14.194 1.265 -3.429 1.00 3.32 C ATOM 128 CD ARG A 7 14.842 0.761 -2.149 1.00 4.43 C ATOM 129 NE ARG A 7 16.233 0.367 -2.358 1.00 31.31 N ATOM 130 CZ ARG A 7 16.901 -0.435 -1.536 1.00 73.43 C ATOM 131 NH1 ARG A 7 16.308 -0.926 -0.456 1.00 41.14 N ATOM 132 NH2 ARG A 7 18.164 -0.749 -1.794 1.00 51.14 N ATOM 0 H ARG A 7 13.065 3.543 -5.662 1.00 74.31 H new ATOM 0 HA ARG A 7 13.136 3.626 -2.710 1.00 71.10 H new ATOM 0 HB2 ARG A 7 15.059 2.626 -4.836 1.00 71.40 H new ATOM 0 HB3 ARG A 7 15.563 2.891 -3.178 1.00 71.40 H new ATOM 0 HG2 ARG A 7 13.112 1.298 -3.302 1.00 3.32 H new ATOM 0 HG3 ARG A 7 14.398 0.567 -4.241 1.00 3.32 H new ATOM 0 HD2 ARG A 7 14.796 1.540 -1.388 1.00 4.43 H new ATOM 0 HD3 ARG A 7 14.278 -0.090 -1.768 1.00 4.43 H new ATOM 0 HE ARG A 7 16.718 0.727 -3.180 1.00 31.31 H new ATOM 0 HH11 ARG A 7 15.337 -0.688 -0.255 1.00 41.14 H new ATOM 0 HH12 ARG A 7 16.823 -1.542 0.173 1.00 41.14 H new ATOM 0 HH21 ARG A 7 18.623 -0.375 -2.624 1.00 51.14 H new ATOM 0 HH22 ARG A 7 18.676 -1.365 -1.162 1.00 51.14 H new ATOM 146 N ASP A 8 13.534 6.164 -3.850 1.00 74.22 N ATOM 147 CA ASP A 8 14.055 7.525 -3.880 1.00 2.41 C ATOM 148 C ASP A 8 15.004 7.718 -5.059 1.00 1.23 C ATOM 149 O ASP A 8 15.895 8.567 -5.019 1.00 22.20 O ATOM 150 CB ASP A 8 14.777 7.847 -2.570 1.00 60.53 C ATOM 151 CG ASP A 8 14.848 9.336 -2.299 1.00 4.32 C ATOM 152 OD1 ASP A 8 13.798 9.932 -1.979 1.00 65.40 O ATOM 153 OD2 ASP A 8 15.954 9.907 -2.407 1.00 41.21 O ATOM 0 H ASP A 8 12.524 6.097 -3.976 1.00 74.22 H new ATOM 0 HA ASP A 8 13.213 8.207 -3.999 1.00 2.41 H new ATOM 0 HB2 ASP A 8 14.263 7.355 -1.745 1.00 60.53 H new ATOM 0 HB3 ASP A 8 15.787 7.439 -2.605 1.00 60.53 H new ATOM 158 N TYR A 9 14.807 6.925 -6.106 1.00 22.23 N ATOM 159 CA TYR A 9 15.648 7.006 -7.295 1.00 35.44 C ATOM 160 C TYR A 9 17.097 6.664 -6.962 1.00 12.44 C ATOM 161 O TYR A 9 17.819 7.474 -6.381 1.00 71.40 O ATOM 162 CB TYR A 9 15.569 8.405 -7.906 1.00 40.41 C ATOM 163 CG TYR A 9 14.154 8.890 -8.131 1.00 24.43 C ATOM 164 CD1 TYR A 9 13.367 8.350 -9.140 1.00 52.15 C ATOM 165 CD2 TYR A 9 13.606 9.887 -7.334 1.00 75.03 C ATOM 166 CE1 TYR A 9 12.074 8.790 -9.350 1.00 60.30 C ATOM 167 CE2 TYR A 9 12.313 10.332 -7.536 1.00 23.44 C ATOM 168 CZ TYR A 9 11.552 9.780 -8.545 1.00 14.23 C ATOM 169 OH TYR A 9 10.264 10.221 -8.749 1.00 44.44 O ATOM 0 H TYR A 9 14.073 6.219 -6.156 1.00 22.23 H new ATOM 0 HA TYR A 9 15.280 6.279 -8.020 1.00 35.44 H new ATOM 0 HB2 TYR A 9 16.085 9.108 -7.252 1.00 40.41 H new ATOM 0 HB3 TYR A 9 16.100 8.407 -8.858 1.00 40.41 H new ATOM 0 HD1 TYR A 9 13.772 7.573 -9.771 1.00 52.15 H new ATOM 0 HD2 TYR A 9 14.200 10.322 -6.544 1.00 75.03 H new ATOM 0 HE1 TYR A 9 11.476 8.361 -10.140 1.00 60.30 H new ATOM 0 HE2 TYR A 9 11.901 11.108 -6.907 1.00 23.44 H new ATOM 0 HH TYR A 9 10.050 10.920 -8.096 1.00 44.44 H new ATOM 179 N ASN A 10 17.515 5.459 -7.335 1.00 12.21 N ATOM 180 CA ASN A 10 18.878 5.009 -7.077 1.00 12.14 C ATOM 181 C ASN A 10 19.153 3.680 -7.773 1.00 50.14 C ATOM 182 O ASN A 10 20.009 3.595 -8.654 1.00 71.32 O ATOM 183 CB ASN A 10 19.114 4.867 -5.572 1.00 13.24 C ATOM 184 CG ASN A 10 20.426 4.177 -5.255 1.00 5.44 C ATOM 185 OD1 ASN A 10 20.496 2.950 -5.191 1.00 60.11 O ATOM 186 ND2 ASN A 10 21.476 4.966 -5.054 1.00 13.25 N ATOM 0 H ASN A 10 16.930 4.777 -7.817 1.00 12.21 H new ATOM 0 HA ASN A 10 19.563 5.757 -7.477 1.00 12.14 H new ATOM 0 HB2 ASN A 10 19.105 5.855 -5.111 1.00 13.24 H new ATOM 0 HB3 ASN A 10 18.293 4.302 -5.130 1.00 13.24 H new ATOM 0 HD21 ASN A 10 22.386 4.559 -4.837 1.00 13.25 H new ATOM 0 HD22 ASN A 10 21.372 5.979 -5.117 1.00 13.25 H new ATOM 193 N ASP A 11 18.421 2.646 -7.373 1.00 44.11 N ATOM 194 CA ASP A 11 18.585 1.321 -7.960 1.00 12.03 C ATOM 195 C ASP A 11 17.364 0.449 -7.681 1.00 43.23 C ATOM 196 O ASP A 11 17.493 -0.735 -7.373 1.00 73.34 O ATOM 197 CB ASP A 11 19.844 0.648 -7.410 1.00 53.32 C ATOM 198 CG ASP A 11 20.320 -0.492 -8.288 1.00 25.44 C ATOM 199 OD1 ASP A 11 20.245 -0.359 -9.527 1.00 10.22 O ATOM 200 OD2 ASP A 11 20.768 -1.519 -7.735 1.00 63.21 O ATOM 0 H ASP A 11 17.709 2.700 -6.645 1.00 44.11 H new ATOM 0 HA ASP A 11 18.687 1.438 -9.039 1.00 12.03 H new ATOM 0 HB2 ASP A 11 20.638 1.389 -7.319 1.00 53.32 H new ATOM 0 HB3 ASP A 11 19.643 0.271 -6.407 1.00 53.32 H new ATOM 205 N ALA A 12 16.181 1.044 -7.791 1.00 0.22 N ATOM 206 CA ALA A 12 14.938 0.322 -7.552 1.00 33.12 C ATOM 207 C ALA A 12 14.728 -0.770 -8.595 1.00 51.04 C ATOM 208 O ALA A 12 14.276 -1.870 -8.275 1.00 43.41 O ATOM 209 CB ALA A 12 13.760 1.285 -7.549 1.00 10.13 C ATOM 0 H ALA A 12 16.057 2.024 -8.044 1.00 0.22 H new ATOM 0 HA ALA A 12 15.006 -0.154 -6.574 1.00 33.12 H new ATOM 0 HB1 ALA A 12 12.838 0.732 -7.369 1.00 10.13 H new ATOM 0 HB2 ALA A 12 13.898 2.026 -6.762 1.00 10.13 H new ATOM 0 HB3 ALA A 12 13.699 1.788 -8.514 1.00 10.13 H new ATOM 215 N ASP A 13 15.058 -0.459 -9.844 1.00 74.32 N ATOM 216 CA ASP A 13 14.905 -1.415 -10.935 1.00 44.34 C ATOM 217 C ASP A 13 15.567 -2.745 -10.589 1.00 72.01 C ATOM 218 O ASP A 13 15.063 -3.810 -10.943 1.00 71.51 O ATOM 219 CB ASP A 13 15.508 -0.851 -12.223 1.00 64.00 C ATOM 220 CG ASP A 13 16.978 -0.511 -12.074 1.00 22.05 C ATOM 221 OD1 ASP A 13 17.808 -1.444 -12.089 1.00 61.52 O ATOM 222 OD2 ASP A 13 17.299 0.688 -11.942 1.00 11.52 O ATOM 0 H ASP A 13 15.433 0.447 -10.126 1.00 74.32 H new ATOM 0 HA ASP A 13 13.840 -1.589 -11.087 1.00 44.34 H new ATOM 0 HB2 ASP A 13 15.386 -1.577 -13.026 1.00 64.00 H new ATOM 0 HB3 ASP A 13 14.959 0.044 -12.516 1.00 64.00 H new ATOM 227 N MET A 14 16.699 -2.675 -9.896 1.00 53.41 N ATOM 228 CA MET A 14 17.429 -3.874 -9.502 1.00 51.22 C ATOM 229 C MET A 14 16.526 -4.832 -8.732 1.00 12.23 C ATOM 230 O MET A 14 16.670 -6.050 -8.830 1.00 4.12 O ATOM 231 CB MET A 14 18.642 -3.501 -8.648 1.00 43.45 C ATOM 232 CG MET A 14 19.735 -4.558 -8.650 1.00 13.41 C ATOM 233 SD MET A 14 20.012 -5.272 -7.018 1.00 1.02 S ATOM 234 CE MET A 14 21.274 -4.174 -6.378 1.00 22.03 C ATOM 0 H MET A 14 17.130 -1.801 -9.596 1.00 53.41 H new ATOM 0 HA MET A 14 17.771 -4.374 -10.408 1.00 51.22 H new ATOM 0 HB2 MET A 14 19.057 -2.561 -9.011 1.00 43.45 H new ATOM 0 HB3 MET A 14 18.315 -3.330 -7.622 1.00 43.45 H new ATOM 0 HG2 MET A 14 19.467 -5.351 -9.349 1.00 13.41 H new ATOM 0 HG3 MET A 14 20.663 -4.115 -9.011 1.00 13.41 H new ATOM 0 HE1 MET A 14 21.869 -4.700 -5.631 1.00 22.03 H new ATOM 0 HE2 MET A 14 21.920 -3.848 -7.193 1.00 22.03 H new ATOM 0 HE3 MET A 14 20.802 -3.305 -5.919 1.00 22.03 H new ATOM 244 N ALA A 15 15.595 -4.273 -7.965 1.00 52.15 N ATOM 245 CA ALA A 15 14.668 -5.078 -7.180 1.00 54.00 C ATOM 246 C ALA A 15 13.828 -5.981 -8.078 1.00 1.25 C ATOM 247 O ALA A 15 13.273 -6.981 -7.623 1.00 11.04 O ATOM 248 CB ALA A 15 13.769 -4.181 -6.342 1.00 11.20 C ATOM 0 H ALA A 15 15.463 -3.266 -7.871 1.00 52.15 H new ATOM 0 HA ALA A 15 15.252 -5.713 -6.514 1.00 54.00 H new ATOM 0 HB1 ALA A 15 13.082 -4.796 -5.761 1.00 11.20 H new ATOM 0 HB2 ALA A 15 14.380 -3.582 -5.667 1.00 11.20 H new ATOM 0 HB3 ALA A 15 13.200 -3.521 -6.997 1.00 11.20 H new ATOM 254 N ARG A 16 13.739 -5.621 -9.354 1.00 23.12 N ATOM 255 CA ARG A 16 12.966 -6.398 -10.315 1.00 34.25 C ATOM 256 C ARG A 16 13.406 -7.859 -10.312 1.00 75.31 C ATOM 257 O ARG A 16 12.602 -8.761 -10.552 1.00 33.40 O ATOM 258 CB ARG A 16 13.118 -5.811 -11.719 1.00 3.12 C ATOM 259 CG ARG A 16 12.307 -6.542 -12.776 1.00 51.51 C ATOM 260 CD ARG A 16 13.102 -6.726 -14.060 1.00 15.44 C ATOM 261 NE ARG A 16 12.261 -6.598 -15.247 1.00 32.21 N ATOM 262 CZ ARG A 16 12.707 -6.775 -16.486 1.00 11.54 C ATOM 263 NH1 ARG A 16 13.978 -7.085 -16.698 1.00 44.50 N ATOM 264 NH2 ARG A 16 11.880 -6.641 -17.515 1.00 63.31 N ATOM 0 H ARG A 16 14.193 -4.796 -9.746 1.00 23.12 H new ATOM 0 HA ARG A 16 11.917 -6.352 -10.022 1.00 34.25 H new ATOM 0 HB2 ARG A 16 12.815 -4.764 -11.701 1.00 3.12 H new ATOM 0 HB3 ARG A 16 14.171 -5.833 -12.001 1.00 3.12 H new ATOM 0 HG2 ARG A 16 12.002 -7.516 -12.393 1.00 51.51 H new ATOM 0 HG3 ARG A 16 11.396 -5.983 -12.988 1.00 51.51 H new ATOM 0 HD2 ARG A 16 13.901 -5.986 -14.101 1.00 15.44 H new ATOM 0 HD3 ARG A 16 13.576 -7.708 -14.056 1.00 15.44 H new ATOM 0 HE ARG A 16 11.278 -6.360 -15.118 1.00 32.21 H new ATOM 0 HH11 ARG A 16 14.616 -7.188 -15.909 1.00 44.50 H new ATOM 0 HH12 ARG A 16 14.318 -7.220 -17.650 1.00 44.50 H new ATOM 0 HH21 ARG A 16 10.901 -6.402 -17.355 1.00 63.31 H new ATOM 0 HH22 ARG A 16 12.223 -6.777 -18.466 1.00 63.31 H new ATOM 278 N LEU A 17 14.686 -8.086 -10.040 1.00 51.41 N ATOM 279 CA LEU A 17 15.234 -9.437 -10.007 1.00 33.33 C ATOM 280 C LEU A 17 14.514 -10.291 -8.968 1.00 31.13 C ATOM 281 O LEU A 17 14.540 -11.521 -9.033 1.00 52.21 O ATOM 282 CB LEU A 17 16.732 -9.394 -9.699 1.00 35.30 C ATOM 283 CG LEU A 17 17.112 -9.013 -8.268 1.00 1.20 C ATOM 284 CD1 LEU A 17 17.177 -10.250 -7.385 1.00 45.43 C ATOM 285 CD2 LEU A 17 18.441 -8.271 -8.249 1.00 73.12 C ATOM 0 H LEU A 17 15.364 -7.351 -9.839 1.00 51.41 H new ATOM 0 HA LEU A 17 15.084 -9.887 -10.988 1.00 33.33 H new ATOM 0 HB2 LEU A 17 17.156 -10.374 -9.917 1.00 35.30 H new ATOM 0 HB3 LEU A 17 17.202 -8.684 -10.380 1.00 35.30 H new ATOM 0 HG LEU A 17 16.343 -8.350 -7.872 1.00 1.20 H new ATOM 0 HD11 LEU A 17 17.449 -9.959 -6.370 1.00 45.43 H new ATOM 0 HD12 LEU A 17 16.204 -10.740 -7.373 1.00 45.43 H new ATOM 0 HD13 LEU A 17 17.925 -10.938 -7.778 1.00 45.43 H new ATOM 0 HD21 LEU A 17 18.696 -8.007 -7.223 1.00 73.12 H new ATOM 0 HD22 LEU A 17 19.220 -8.910 -8.664 1.00 73.12 H new ATOM 0 HD23 LEU A 17 18.360 -7.363 -8.847 1.00 73.12 H new ATOM 297 N LEU A 18 13.870 -9.632 -8.011 1.00 2.41 N ATOM 298 CA LEU A 18 13.140 -10.330 -6.958 1.00 43.24 C ATOM 299 C LEU A 18 12.142 -11.318 -7.552 1.00 35.11 C ATOM 300 O LEU A 18 11.912 -12.392 -6.996 1.00 52.51 O ATOM 301 CB LEU A 18 12.411 -9.326 -6.064 1.00 4.33 C ATOM 302 CG LEU A 18 11.386 -9.913 -5.093 1.00 4.44 C ATOM 303 CD1 LEU A 18 11.411 -9.160 -3.771 1.00 62.12 C ATOM 304 CD2 LEU A 18 9.993 -9.877 -5.703 1.00 33.25 C ATOM 0 H LEU A 18 13.838 -8.615 -7.942 1.00 2.41 H new ATOM 0 HA LEU A 18 13.860 -10.886 -6.357 1.00 43.24 H new ATOM 0 HB2 LEU A 18 13.155 -8.776 -5.487 1.00 4.33 H new ATOM 0 HB3 LEU A 18 11.904 -8.602 -6.702 1.00 4.33 H new ATOM 0 HG LEU A 18 11.650 -10.953 -4.900 1.00 4.44 H new ATOM 0 HD11 LEU A 18 10.675 -9.592 -3.092 1.00 62.12 H new ATOM 0 HD12 LEU A 18 12.403 -9.237 -3.327 1.00 62.12 H new ATOM 0 HD13 LEU A 18 11.172 -8.111 -3.945 1.00 62.12 H new ATOM 0 HD21 LEU A 18 9.276 -10.299 -4.998 1.00 33.25 H new ATOM 0 HD22 LEU A 18 9.720 -8.845 -5.925 1.00 33.25 H new ATOM 0 HD23 LEU A 18 9.984 -10.461 -6.623 1.00 33.25 H new ATOM 316 N GLU A 19 11.553 -10.948 -8.685 1.00 72.20 N ATOM 317 CA GLU A 19 10.580 -11.804 -9.354 1.00 51.31 C ATOM 318 C GLU A 19 11.198 -13.151 -9.716 1.00 31.35 C ATOM 319 O GLU A 19 10.497 -14.157 -9.824 1.00 23.34 O ATOM 320 CB GLU A 19 10.048 -11.119 -10.615 1.00 61.52 C ATOM 321 CG GLU A 19 8.692 -11.638 -11.063 1.00 13.30 C ATOM 322 CD GLU A 19 8.421 -11.371 -12.531 1.00 20.30 C ATOM 323 OE1 GLU A 19 8.816 -10.292 -13.020 1.00 61.22 O ATOM 324 OE2 GLU A 19 7.814 -12.241 -13.190 1.00 43.13 O ATOM 0 H GLU A 19 11.732 -10.062 -9.158 1.00 72.20 H new ATOM 0 HA GLU A 19 9.752 -11.977 -8.666 1.00 51.31 H new ATOM 0 HB2 GLU A 19 9.975 -10.047 -10.433 1.00 61.52 H new ATOM 0 HB3 GLU A 19 10.766 -11.257 -11.424 1.00 61.52 H new ATOM 0 HG2 GLU A 19 8.638 -12.711 -10.877 1.00 13.30 H new ATOM 0 HG3 GLU A 19 7.912 -11.170 -10.462 1.00 13.30 H new ATOM 331 N GLN A 20 12.514 -13.161 -9.901 1.00 71.44 N ATOM 332 CA GLN A 20 13.226 -14.384 -10.252 1.00 20.51 C ATOM 333 C GLN A 20 12.886 -15.510 -9.280 1.00 42.22 C ATOM 334 O GLN A 20 12.897 -16.685 -9.648 1.00 1.51 O ATOM 335 CB GLN A 20 14.736 -14.137 -10.257 1.00 34.24 C ATOM 336 CG GLN A 20 15.555 -15.385 -10.544 1.00 45.41 C ATOM 337 CD GLN A 20 16.426 -15.794 -9.372 1.00 52.13 C ATOM 338 OE1 GLN A 20 17.601 -15.432 -9.301 1.00 33.24 O ATOM 339 NE2 GLN A 20 15.853 -16.552 -8.445 1.00 74.43 N ATOM 0 H GLN A 20 13.108 -12.337 -9.814 1.00 71.44 H new ATOM 0 HA GLN A 20 12.911 -14.684 -11.251 1.00 20.51 H new ATOM 0 HB2 GLN A 20 14.969 -13.379 -11.005 1.00 34.24 H new ATOM 0 HB3 GLN A 20 15.033 -13.732 -9.290 1.00 34.24 H new ATOM 0 HG2 GLN A 20 14.883 -16.206 -10.796 1.00 45.41 H new ATOM 0 HG3 GLN A 20 16.185 -15.209 -11.416 1.00 45.41 H new ATOM 0 HE21 GLN A 20 14.876 -16.828 -8.544 1.00 74.43 H new ATOM 0 HE22 GLN A 20 16.389 -16.858 -7.633 1.00 74.43 H new ATOM 348 N TRP A 21 12.585 -15.143 -8.040 1.00 4.41 N ATOM 349 CA TRP A 21 12.243 -16.122 -7.015 1.00 33.10 C ATOM 350 C TRP A 21 11.045 -16.963 -7.444 1.00 41.40 C ATOM 351 O TRP A 21 11.010 -18.171 -7.215 1.00 24.04 O ATOM 352 CB TRP A 21 11.940 -15.420 -5.690 1.00 43.02 C ATOM 353 CG TRP A 21 12.276 -16.250 -4.488 1.00 50.40 C ATOM 354 CD1 TRP A 21 11.671 -17.410 -4.098 1.00 72.33 C ATOM 355 CD2 TRP A 21 13.295 -15.981 -3.519 1.00 14.35 C ATOM 356 NE1 TRP A 21 12.252 -17.879 -2.945 1.00 20.12 N ATOM 357 CE2 TRP A 21 13.251 -17.021 -2.569 1.00 42.43 C ATOM 358 CE3 TRP A 21 14.240 -14.964 -3.361 1.00 25.20 C ATOM 359 CZ2 TRP A 21 14.116 -17.070 -1.480 1.00 5.04 C ATOM 360 CZ3 TRP A 21 15.098 -15.014 -2.279 1.00 23.52 C ATOM 361 CH2 TRP A 21 15.032 -16.062 -1.350 1.00 4.40 C ATOM 0 H TRP A 21 12.571 -14.175 -7.720 1.00 4.41 H new ATOM 0 HA TRP A 21 13.099 -16.784 -6.880 1.00 33.10 H new ATOM 0 HB2 TRP A 21 12.500 -14.486 -5.646 1.00 43.02 H new ATOM 0 HB3 TRP A 21 10.882 -15.159 -5.659 1.00 43.02 H new ATOM 0 HD1 TRP A 21 10.855 -17.889 -4.619 1.00 72.33 H new ATOM 0 HE1 TRP A 21 11.983 -18.729 -2.449 1.00 20.12 H new ATOM 0 HE3 TRP A 21 14.299 -14.153 -4.072 1.00 25.20 H new ATOM 0 HZ2 TRP A 21 14.066 -17.876 -0.762 1.00 5.04 H new ATOM 0 HZ3 TRP A 21 15.832 -14.233 -2.147 1.00 23.52 H new ATOM 0 HH2 TRP A 21 15.718 -16.074 -0.516 1.00 4.40 H new ATOM 372 N GLU A 22 10.066 -16.315 -8.068 1.00 31.13 N ATOM 373 CA GLU A 22 8.866 -17.005 -8.528 1.00 25.13 C ATOM 374 C GLU A 22 9.227 -18.171 -9.444 1.00 22.02 C ATOM 375 O GLU A 22 8.898 -19.323 -9.161 1.00 33.10 O ATOM 376 CB GLU A 22 7.942 -16.032 -9.262 1.00 74.32 C ATOM 377 CG GLU A 22 7.090 -15.183 -8.333 1.00 71.44 C ATOM 378 CD GLU A 22 7.915 -14.441 -7.301 1.00 4.04 C ATOM 379 OE1 GLU A 22 8.294 -15.062 -6.286 1.00 5.54 O ATOM 380 OE2 GLU A 22 8.182 -13.239 -7.508 1.00 44.33 O ATOM 0 H GLU A 22 10.080 -15.315 -8.266 1.00 31.13 H new ATOM 0 HA GLU A 22 8.346 -17.399 -7.655 1.00 25.13 H new ATOM 0 HB2 GLU A 22 8.545 -15.376 -9.890 1.00 74.32 H new ATOM 0 HB3 GLU A 22 7.288 -16.597 -9.927 1.00 74.32 H new ATOM 0 HG2 GLU A 22 6.521 -14.464 -8.923 1.00 71.44 H new ATOM 0 HG3 GLU A 22 6.367 -15.821 -7.825 1.00 71.44 H new ATOM 387 N LYS A 23 9.906 -17.863 -10.544 1.00 31.31 N ATOM 388 CA LYS A 23 10.313 -18.883 -11.503 1.00 20.42 C ATOM 389 C LYS A 23 9.105 -19.663 -12.014 1.00 4.23 C ATOM 390 O LYS A 23 9.234 -20.803 -12.459 1.00 60.32 O ATOM 391 CB LYS A 23 11.319 -19.843 -10.862 1.00 15.21 C ATOM 392 CG LYS A 23 12.077 -20.691 -11.868 1.00 55.14 C ATOM 393 CD LYS A 23 13.574 -20.442 -11.792 1.00 74.12 C ATOM 394 CE LYS A 23 14.203 -20.403 -13.176 1.00 42.52 C ATOM 395 NZ LYS A 23 15.608 -19.911 -13.132 1.00 64.34 N ATOM 0 H LYS A 23 10.186 -16.914 -10.793 1.00 31.31 H new ATOM 0 HA LYS A 23 10.785 -18.383 -12.349 1.00 20.42 H new ATOM 0 HB2 LYS A 23 12.033 -19.267 -10.273 1.00 15.21 H new ATOM 0 HB3 LYS A 23 10.792 -20.500 -10.170 1.00 15.21 H new ATOM 0 HG2 LYS A 23 11.873 -21.746 -11.683 1.00 55.14 H new ATOM 0 HG3 LYS A 23 11.721 -20.469 -12.874 1.00 55.14 H new ATOM 0 HD2 LYS A 23 13.761 -19.499 -11.279 1.00 74.12 H new ATOM 0 HD3 LYS A 23 14.045 -21.226 -11.199 1.00 74.12 H new ATOM 0 HE2 LYS A 23 14.181 -21.401 -13.613 1.00 42.52 H new ATOM 0 HE3 LYS A 23 13.612 -19.757 -13.826 1.00 42.52 H new ATOM 0 HZ1 LYS A 23 16.002 -19.899 -14.094 1.00 64.34 H new ATOM 0 HZ2 LYS A 23 15.627 -18.949 -12.738 1.00 64.34 H new ATOM 0 HZ3 LYS A 23 16.178 -20.541 -12.533 1.00 64.34 H new ATOM 409 N ASP A 24 7.934 -19.040 -11.948 1.00 0.24 N ATOM 410 CA ASP A 24 6.704 -19.674 -12.406 1.00 74.31 C ATOM 411 C ASP A 24 6.692 -19.801 -13.926 1.00 74.42 C ATOM 412 O ASP A 24 6.037 -20.685 -14.480 1.00 64.20 O ATOM 413 CB ASP A 24 5.487 -18.874 -11.939 1.00 40.42 C ATOM 414 CG ASP A 24 4.462 -19.738 -11.232 1.00 12.01 C ATOM 415 OD1 ASP A 24 4.682 -20.070 -10.049 1.00 35.15 O ATOM 416 OD2 ASP A 24 3.440 -20.083 -11.862 1.00 60.01 O ATOM 0 H ASP A 24 7.811 -18.096 -11.582 1.00 0.24 H new ATOM 0 HA ASP A 24 6.658 -20.674 -11.975 1.00 74.31 H new ATOM 0 HB2 ASP A 24 5.814 -18.080 -11.267 1.00 40.42 H new ATOM 0 HB3 ASP A 24 5.021 -18.392 -12.799 1.00 40.42 H new ATOM 421 N ASP A 25 7.418 -18.912 -14.595 1.00 31.52 N ATOM 422 CA ASP A 25 7.491 -18.925 -16.051 1.00 40.12 C ATOM 423 C ASP A 25 6.101 -18.796 -16.666 1.00 71.52 C ATOM 424 O ASP A 25 5.765 -19.500 -17.619 1.00 23.31 O ATOM 425 CB ASP A 25 8.161 -20.210 -16.539 1.00 21.55 C ATOM 426 CG ASP A 25 9.003 -19.990 -17.780 1.00 11.10 C ATOM 427 OD1 ASP A 25 9.770 -19.005 -17.810 1.00 11.52 O ATOM 428 OD2 ASP A 25 8.895 -20.803 -18.721 1.00 64.04 O ATOM 0 H ASP A 25 7.964 -18.173 -14.152 1.00 31.52 H new ATOM 0 HA ASP A 25 8.089 -18.071 -16.367 1.00 40.12 H new ATOM 0 HB2 ASP A 25 8.789 -20.613 -15.744 1.00 21.55 H new ATOM 0 HB3 ASP A 25 7.396 -20.957 -16.751 1.00 21.55 H new ATOM 433 N ASP A 26 5.297 -17.895 -16.114 1.00 54.44 N ATOM 434 CA ASP A 26 3.942 -17.674 -16.608 1.00 44.24 C ATOM 435 C ASP A 26 3.957 -17.315 -18.091 1.00 53.00 C ATOM 436 O ASP A 26 2.978 -17.540 -18.803 1.00 53.33 O ATOM 437 CB ASP A 26 3.260 -16.563 -15.809 1.00 33.23 C ATOM 438 CG ASP A 26 1.794 -16.853 -15.551 1.00 1.34 C ATOM 439 OD1 ASP A 26 1.457 -18.028 -15.296 1.00 71.10 O ATOM 440 OD2 ASP A 26 0.984 -15.904 -15.602 1.00 43.34 O ATOM 0 H ASP A 26 5.559 -17.305 -15.324 1.00 54.44 H new ATOM 0 HA ASP A 26 3.380 -18.599 -16.482 1.00 44.24 H new ATOM 0 HB2 ASP A 26 3.775 -16.435 -14.857 1.00 33.23 H new ATOM 0 HB3 ASP A 26 3.352 -15.621 -16.350 1.00 33.23 H new ATOM 445 N ILE A 27 5.072 -16.756 -18.548 1.00 53.44 N ATOM 446 CA ILE A 27 5.213 -16.366 -19.946 1.00 14.21 C ATOM 447 C ILE A 27 6.550 -16.828 -20.513 1.00 63.33 C ATOM 448 O ILE A 27 7.564 -16.828 -19.816 1.00 43.12 O ATOM 449 CB ILE A 27 5.094 -14.840 -20.120 1.00 30.15 C ATOM 450 CG1 ILE A 27 3.744 -14.348 -19.592 1.00 64.43 C ATOM 451 CG2 ILE A 27 5.269 -14.458 -21.582 1.00 35.42 C ATOM 452 CD1 ILE A 27 3.716 -12.865 -19.295 1.00 31.51 C ATOM 0 H ILE A 27 5.891 -16.563 -17.971 1.00 53.44 H new ATOM 0 HA ILE A 27 4.403 -16.850 -20.492 1.00 14.21 H new ATOM 0 HB ILE A 27 5.885 -14.361 -19.543 1.00 30.15 H new ATOM 0 HG12 ILE A 27 2.971 -14.578 -20.325 1.00 64.43 H new ATOM 0 HG13 ILE A 27 3.496 -14.897 -18.684 1.00 64.43 H new ATOM 0 HG21 ILE A 27 5.182 -13.377 -21.688 1.00 35.42 H new ATOM 0 HG22 ILE A 27 6.252 -14.779 -21.927 1.00 35.42 H new ATOM 0 HG23 ILE A 27 4.498 -14.944 -22.180 1.00 35.42 H new ATOM 0 HD11 ILE A 27 2.729 -12.587 -18.925 1.00 31.51 H new ATOM 0 HD12 ILE A 27 4.466 -12.631 -18.540 1.00 31.51 H new ATOM 0 HD13 ILE A 27 3.932 -12.307 -20.206 1.00 31.51 H new ATOM 1035 N THR A 64 18.475 3.356 -24.656 1.00 60.12 N ATOM 1036 CA THR A 64 17.135 3.807 -24.302 1.00 61.20 C ATOM 1037 C THR A 64 16.561 2.980 -23.157 1.00 63.44 C ATOM 1038 O THR A 64 17.066 1.900 -22.844 1.00 54.31 O ATOM 1039 CB THR A 64 16.179 3.728 -25.507 1.00 70.21 C ATOM 1040 OG1 THR A 64 16.921 3.474 -26.705 1.00 72.42 O ATOM 1041 CG2 THR A 64 15.390 5.020 -25.658 1.00 21.24 C ATOM 0 HA THR A 64 17.225 4.846 -23.986 1.00 61.20 H new ATOM 0 HB THR A 64 15.478 2.911 -25.334 1.00 70.21 H new ATOM 0 HG1 THR A 64 17.838 3.218 -26.474 1.00 72.42 H new ATOM 0 HG21 THR A 64 14.722 4.940 -26.516 1.00 21.24 H new ATOM 0 HG22 THR A 64 14.804 5.196 -24.756 1.00 21.24 H new ATOM 0 HG23 THR A 64 16.079 5.851 -25.811 1.00 21.24 H new ATOM 1049 N LEU A 65 15.504 3.491 -22.536 1.00 62.24 N ATOM 1050 CA LEU A 65 14.860 2.798 -21.426 1.00 3.24 C ATOM 1051 C LEU A 65 13.396 2.507 -21.740 1.00 44.33 C ATOM 1052 O LEU A 65 12.607 3.423 -21.968 1.00 53.15 O ATOM 1053 CB LEU A 65 14.963 3.635 -20.149 1.00 31.40 C ATOM 1054 CG LEU A 65 14.425 5.063 -20.238 1.00 1.34 C ATOM 1055 CD1 LEU A 65 13.528 5.371 -19.048 1.00 63.25 C ATOM 1056 CD2 LEU A 65 15.572 6.061 -20.315 1.00 73.23 C ATOM 0 H LEU A 65 15.075 4.383 -22.782 1.00 62.24 H new ATOM 0 HA LEU A 65 15.375 1.849 -21.275 1.00 3.24 H new ATOM 0 HB2 LEU A 65 14.428 3.115 -19.354 1.00 31.40 H new ATOM 0 HB3 LEU A 65 16.011 3.681 -19.852 1.00 31.40 H new ATOM 0 HG LEU A 65 13.831 5.151 -21.148 1.00 1.34 H new ATOM 0 HD11 LEU A 65 13.154 6.392 -19.129 1.00 63.25 H new ATOM 0 HD12 LEU A 65 12.688 4.677 -19.037 1.00 63.25 H new ATOM 0 HD13 LEU A 65 14.099 5.265 -18.125 1.00 63.25 H new ATOM 0 HD21 LEU A 65 15.171 7.072 -20.378 1.00 73.23 H new ATOM 0 HD22 LEU A 65 16.193 5.972 -19.423 1.00 73.23 H new ATOM 0 HD23 LEU A 65 16.175 5.854 -21.199 1.00 73.23 H new ATOM 1068 N MET A 66 13.042 1.227 -21.749 1.00 35.44 N ATOM 1069 CA MET A 66 11.671 0.816 -22.032 1.00 23.41 C ATOM 1070 C MET A 66 11.449 -0.642 -21.640 1.00 51.21 C ATOM 1071 O MET A 66 12.037 -1.549 -22.228 1.00 43.31 O ATOM 1072 CB MET A 66 11.354 1.011 -23.516 1.00 12.24 C ATOM 1073 CG MET A 66 9.977 0.505 -23.914 1.00 62.24 C ATOM 1074 SD MET A 66 9.494 1.036 -25.568 1.00 61.35 S ATOM 1075 CE MET A 66 9.383 2.808 -25.336 1.00 52.21 C ATOM 0 H MET A 66 13.684 0.456 -21.564 1.00 35.44 H new ATOM 0 HA MET A 66 11.001 1.439 -21.440 1.00 23.41 H new ATOM 0 HB2 MET A 66 11.427 2.071 -23.759 1.00 12.24 H new ATOM 0 HB3 MET A 66 12.108 0.495 -24.111 1.00 12.24 H new ATOM 0 HG2 MET A 66 9.967 -0.584 -23.869 1.00 62.24 H new ATOM 0 HG3 MET A 66 9.241 0.861 -23.193 1.00 62.24 H new ATOM 0 HE1 MET A 66 8.340 3.119 -25.401 1.00 52.21 H new ATOM 0 HE2 MET A 66 9.780 3.072 -24.356 1.00 52.21 H new ATOM 0 HE3 MET A 66 9.961 3.313 -26.110 1.00 52.21 H new ATOM 1085 N MET A 67 10.596 -0.859 -20.644 1.00 5.42 N ATOM 1086 CA MET A 67 10.297 -2.207 -20.175 1.00 15.40 C ATOM 1087 C MET A 67 8.926 -2.258 -19.508 1.00 54.31 C ATOM 1088 O MET A 67 8.603 -1.421 -18.664 1.00 24.30 O ATOM 1089 CB MET A 67 11.372 -2.680 -19.195 1.00 15.45 C ATOM 1090 CG MET A 67 12.507 -3.441 -19.859 1.00 3.22 C ATOM 1091 SD MET A 67 14.007 -2.453 -20.016 1.00 42.52 S ATOM 1092 CE MET A 67 15.203 -3.717 -20.438 1.00 23.32 C ATOM 0 H MET A 67 10.100 -0.119 -20.147 1.00 5.42 H new ATOM 0 HA MET A 67 10.287 -2.872 -21.039 1.00 15.40 H new ATOM 0 HB2 MET A 67 11.782 -1.815 -18.673 1.00 15.45 H new ATOM 0 HB3 MET A 67 10.910 -3.318 -18.442 1.00 15.45 H new ATOM 0 HG2 MET A 67 12.726 -4.338 -19.279 1.00 3.22 H new ATOM 0 HG3 MET A 67 12.189 -3.771 -20.848 1.00 3.22 H new ATOM 0 HE1 MET A 67 16.181 -3.437 -20.048 1.00 23.32 H new ATOM 0 HE2 MET A 67 14.897 -4.668 -20.001 1.00 23.32 H new ATOM 0 HE3 MET A 67 15.260 -3.817 -21.522 1.00 23.32 H new ATOM 1102 N PHE A 68 8.122 -3.244 -19.892 1.00 40.13 N ATOM 1103 CA PHE A 68 6.785 -3.403 -19.332 1.00 40.12 C ATOM 1104 C PHE A 68 6.536 -4.851 -18.921 1.00 24.04 C ATOM 1105 O PHE A 68 6.582 -5.760 -19.749 1.00 72.42 O ATOM 1106 CB PHE A 68 5.728 -2.960 -20.346 1.00 62.54 C ATOM 1107 CG PHE A 68 6.053 -1.658 -21.021 1.00 32.40 C ATOM 1108 CD1 PHE A 68 6.364 -0.534 -20.273 1.00 64.31 C ATOM 1109 CD2 PHE A 68 6.047 -1.558 -22.403 1.00 30.51 C ATOM 1110 CE1 PHE A 68 6.663 0.665 -20.891 1.00 53.24 C ATOM 1111 CE2 PHE A 68 6.345 -0.362 -23.027 1.00 11.41 C ATOM 1112 CZ PHE A 68 6.654 0.751 -22.270 1.00 1.40 C ATOM 0 H PHE A 68 8.373 -3.945 -20.589 1.00 40.13 H new ATOM 0 HA PHE A 68 6.713 -2.774 -18.444 1.00 40.12 H new ATOM 0 HB2 PHE A 68 5.616 -3.735 -21.104 1.00 62.54 H new ATOM 0 HB3 PHE A 68 4.767 -2.868 -19.840 1.00 62.54 H new ATOM 0 HD1 PHE A 68 6.373 -0.596 -19.195 1.00 64.31 H new ATOM 0 HD2 PHE A 68 5.806 -2.426 -23.000 1.00 30.51 H new ATOM 0 HE1 PHE A 68 6.904 1.534 -20.297 1.00 53.24 H new ATOM 0 HE2 PHE A 68 6.336 -0.298 -24.105 1.00 11.41 H new ATOM 0 HZ PHE A 68 6.888 1.687 -22.755 1.00 1.40 H new ATOM 1122 N VAL A 69 6.274 -5.058 -17.634 1.00 0.41 N ATOM 1123 CA VAL A 69 6.018 -6.394 -17.111 1.00 74.20 C ATOM 1124 C VAL A 69 4.980 -6.358 -15.994 1.00 45.22 C ATOM 1125 O VAL A 69 4.859 -5.365 -15.276 1.00 55.54 O ATOM 1126 CB VAL A 69 7.308 -7.045 -16.578 1.00 34.33 C ATOM 1127 CG1 VAL A 69 7.064 -8.506 -16.230 1.00 3.14 C ATOM 1128 CG2 VAL A 69 8.431 -6.911 -17.594 1.00 43.13 C ATOM 0 H VAL A 69 6.234 -4.317 -16.935 1.00 0.41 H new ATOM 0 HA VAL A 69 5.635 -6.990 -17.939 1.00 74.20 H new ATOM 0 HB VAL A 69 7.608 -6.525 -15.668 1.00 34.33 H new ATOM 0 HG11 VAL A 69 7.986 -8.950 -15.855 1.00 3.14 H new ATOM 0 HG12 VAL A 69 6.291 -8.573 -15.464 1.00 3.14 H new ATOM 0 HG13 VAL A 69 6.739 -9.043 -17.121 1.00 3.14 H new ATOM 0 HG21 VAL A 69 9.335 -7.376 -17.201 1.00 43.13 H new ATOM 0 HG22 VAL A 69 8.143 -7.405 -18.522 1.00 43.13 H new ATOM 0 HG23 VAL A 69 8.622 -5.856 -17.789 1.00 43.13 H new ATOM 1138 N THR A 70 4.234 -7.448 -15.852 1.00 33.44 N ATOM 1139 CA THR A 70 3.206 -7.542 -14.823 1.00 11.25 C ATOM 1140 C THR A 70 2.750 -8.984 -14.630 1.00 2.42 C ATOM 1141 O THR A 70 1.662 -9.364 -15.062 1.00 21.52 O ATOM 1142 CB THR A 70 1.983 -6.671 -15.169 1.00 4.12 C ATOM 1143 OG1 THR A 70 0.887 -7.001 -14.308 1.00 44.15 O ATOM 1144 CG2 THR A 70 1.573 -6.868 -16.620 1.00 55.22 C ATOM 0 H THR A 70 4.322 -8.279 -16.437 1.00 33.44 H new ATOM 0 HA THR A 70 3.652 -7.178 -13.897 1.00 11.25 H new ATOM 0 HB THR A 70 2.255 -5.626 -15.024 1.00 4.12 H new ATOM 0 HG1 THR A 70 0.644 -7.942 -14.434 1.00 44.15 H new ATOM 0 HG21 THR A 70 0.708 -6.243 -16.842 1.00 55.22 H new ATOM 0 HG22 THR A 70 2.400 -6.588 -17.273 1.00 55.22 H new ATOM 0 HG23 THR A 70 1.317 -7.914 -16.787 1.00 55.22 H new ATOM 1152 N VAL A 71 3.589 -9.782 -13.978 1.00 20.44 N ATOM 1153 CA VAL A 71 3.271 -11.183 -13.726 1.00 2.12 C ATOM 1154 C VAL A 71 4.346 -11.845 -12.871 1.00 60.44 C ATOM 1155 O VAL A 71 5.443 -11.310 -12.711 1.00 31.34 O ATOM 1156 CB VAL A 71 3.120 -11.969 -15.041 1.00 74.35 C ATOM 1157 CG1 VAL A 71 4.484 -12.316 -15.617 1.00 23.45 C ATOM 1158 CG2 VAL A 71 2.291 -13.225 -14.818 1.00 73.25 C ATOM 0 H VAL A 71 4.494 -9.483 -13.615 1.00 20.44 H new ATOM 0 HA VAL A 71 2.322 -11.201 -13.190 1.00 2.12 H new ATOM 0 HB VAL A 71 2.598 -11.339 -15.762 1.00 74.35 H new ATOM 0 HG11 VAL A 71 4.356 -12.871 -16.546 1.00 23.45 H new ATOM 0 HG12 VAL A 71 5.039 -11.399 -15.816 1.00 23.45 H new ATOM 0 HG13 VAL A 71 5.036 -12.927 -14.902 1.00 23.45 H new ATOM 0 HG21 VAL A 71 2.194 -13.769 -15.758 1.00 73.25 H new ATOM 0 HG22 VAL A 71 2.783 -13.859 -14.081 1.00 73.25 H new ATOM 0 HG23 VAL A 71 1.301 -12.948 -14.455 1.00 73.25 H new ATOM 1168 N SER A 72 4.024 -13.014 -12.326 1.00 13.33 N ATOM 1169 CA SER A 72 4.961 -13.749 -11.484 1.00 52.23 C ATOM 1170 C SER A 72 5.850 -14.658 -12.327 1.00 41.24 C ATOM 1171 O SER A 72 5.389 -15.288 -13.278 1.00 41.54 O ATOM 1172 CB SER A 72 4.204 -14.578 -10.445 1.00 73.24 C ATOM 1173 OG SER A 72 3.293 -15.467 -11.068 1.00 34.20 O ATOM 0 H SER A 72 3.122 -13.472 -12.452 1.00 13.33 H new ATOM 0 HA SER A 72 5.594 -13.026 -10.970 1.00 52.23 H new ATOM 0 HB2 SER A 72 4.913 -15.143 -9.840 1.00 73.24 H new ATOM 0 HB3 SER A 72 3.665 -13.915 -9.768 1.00 73.24 H new ATOM 0 HG SER A 72 2.823 -15.987 -10.383 1.00 34.20 H new ATOM 1179 N GLY A 73 7.129 -14.720 -11.971 1.00 25.25 N ATOM 1180 CA GLY A 73 8.064 -15.554 -12.704 1.00 2.25 C ATOM 1181 C GLY A 73 8.790 -14.791 -13.794 1.00 11.32 C ATOM 1182 O GLY A 73 8.196 -14.432 -14.810 1.00 23.30 O ATOM 0 H GLY A 73 7.535 -14.208 -11.188 1.00 25.25 H new ATOM 0 HA2 GLY A 73 8.793 -15.973 -12.011 1.00 2.25 H new ATOM 0 HA3 GLY A 73 7.527 -16.393 -13.148 1.00 2.25 H new ATOM 1186 N ASN A 74 10.078 -14.540 -13.582 1.00 32.12 N ATOM 1187 CA ASN A 74 10.885 -13.812 -14.554 1.00 71.12 C ATOM 1188 C ASN A 74 12.349 -13.777 -14.128 1.00 4.41 C ATOM 1189 O ASN A 74 12.863 -12.758 -13.665 1.00 54.54 O ATOM 1190 CB ASN A 74 10.356 -12.386 -14.722 1.00 22.23 C ATOM 1191 CG ASN A 74 11.044 -11.643 -15.851 1.00 20.33 C ATOM 1192 OD1 ASN A 74 10.865 -11.971 -17.024 1.00 10.21 O ATOM 1193 ND2 ASN A 74 11.837 -10.637 -15.500 1.00 75.03 N ATOM 0 H ASN A 74 10.585 -14.830 -12.746 1.00 32.12 H new ATOM 0 HA ASN A 74 10.816 -14.332 -15.509 1.00 71.12 H new ATOM 0 HB2 ASN A 74 9.283 -12.420 -14.913 1.00 22.23 H new ATOM 0 HB3 ASN A 74 10.497 -11.837 -13.791 1.00 22.23 H new ATOM 0 HD21 ASN A 74 12.328 -10.101 -16.216 1.00 75.03 H new ATOM 0 HD22 ASN A 74 11.955 -10.401 -14.515 1.00 75.03 H new ATOM 1200 N PRO A 75 13.040 -14.916 -14.287 1.00 52.41 N ATOM 1201 CA PRO A 75 14.455 -15.040 -13.926 1.00 60.50 C ATOM 1202 C PRO A 75 15.363 -14.245 -14.857 1.00 42.13 C ATOM 1203 O PRO A 75 15.882 -14.776 -15.840 1.00 31.21 O ATOM 1204 CB PRO A 75 14.726 -16.540 -14.067 1.00 61.34 C ATOM 1205 CG PRO A 75 13.714 -17.017 -15.051 1.00 62.14 C ATOM 1206 CD PRO A 75 12.492 -16.169 -14.832 1.00 50.03 C ATOM 0 HA PRO A 75 14.657 -14.648 -12.929 1.00 60.50 H new ATOM 0 HB2 PRO A 75 15.740 -16.728 -14.420 1.00 61.34 H new ATOM 0 HB3 PRO A 75 14.621 -17.053 -13.111 1.00 61.34 H new ATOM 0 HG2 PRO A 75 14.083 -16.914 -16.071 1.00 62.14 H new ATOM 0 HG3 PRO A 75 13.489 -18.073 -14.899 1.00 62.14 H new ATOM 0 HD2 PRO A 75 11.949 -15.999 -15.762 1.00 50.03 H new ATOM 0 HD3 PRO A 75 11.796 -16.639 -14.137 1.00 50.03 H new ATOM 1214 N THR A 76 15.553 -12.967 -14.543 1.00 31.24 N ATOM 1215 CA THR A 76 16.398 -12.098 -15.352 1.00 20.15 C ATOM 1216 C THR A 76 17.125 -11.076 -14.485 1.00 32.12 C ATOM 1217 O THR A 76 17.182 -9.894 -14.820 1.00 51.33 O ATOM 1218 CB THR A 76 15.578 -11.355 -16.423 1.00 15.04 C ATOM 1219 OG1 THR A 76 14.758 -10.356 -15.806 1.00 12.20 O ATOM 1220 CG2 THR A 76 14.703 -12.324 -17.204 1.00 22.44 C ATOM 0 H THR A 76 15.132 -12.511 -13.733 1.00 31.24 H new ATOM 0 HA THR A 76 17.129 -12.738 -15.845 1.00 20.15 H new ATOM 0 HB THR A 76 16.273 -10.879 -17.115 1.00 15.04 H new ATOM 0 HG1 THR A 76 15.327 -9.649 -15.436 1.00 12.20 H new ATOM 0 HG21 THR A 76 14.133 -11.776 -17.955 1.00 22.44 H new ATOM 0 HG22 THR A 76 15.332 -13.066 -17.696 1.00 22.44 H new ATOM 0 HG23 THR A 76 14.016 -12.825 -16.522 1.00 22.44 H new ATOM 1228 N GLU A 77 17.679 -11.541 -13.369 1.00 43.53 N ATOM 1229 CA GLU A 77 18.403 -10.665 -12.455 1.00 14.12 C ATOM 1230 C GLU A 77 19.495 -9.894 -13.190 1.00 4.12 C ATOM 1231 O GLU A 77 19.852 -8.780 -12.805 1.00 55.10 O ATOM 1232 CB GLU A 77 19.017 -11.478 -11.313 1.00 73.14 C ATOM 1233 CG GLU A 77 19.859 -12.651 -11.786 1.00 72.22 C ATOM 1234 CD GLU A 77 20.503 -13.406 -10.640 1.00 31.51 C ATOM 1235 OE1 GLU A 77 20.514 -12.875 -9.510 1.00 44.33 O ATOM 1236 OE2 GLU A 77 20.995 -14.530 -10.873 1.00 64.33 O ATOM 0 H GLU A 77 17.640 -12.517 -13.077 1.00 43.53 H new ATOM 0 HA GLU A 77 17.693 -9.949 -12.041 1.00 14.12 H new ATOM 0 HB2 GLU A 77 19.635 -10.821 -10.702 1.00 73.14 H new ATOM 0 HB3 GLU A 77 18.218 -11.850 -10.672 1.00 73.14 H new ATOM 0 HG2 GLU A 77 19.233 -13.334 -12.360 1.00 72.22 H new ATOM 0 HG3 GLU A 77 20.636 -12.288 -12.459 1.00 72.22 H new ATOM 1243 N LYS A 78 20.024 -10.495 -14.250 1.00 25.31 N ATOM 1244 CA LYS A 78 21.076 -9.867 -15.041 1.00 22.22 C ATOM 1245 C LYS A 78 20.529 -8.682 -15.831 1.00 21.45 C ATOM 1246 O LYS A 78 21.160 -7.629 -15.902 1.00 3.41 O ATOM 1247 CB LYS A 78 21.701 -10.886 -15.997 1.00 2.14 C ATOM 1248 CG LYS A 78 23.216 -10.952 -15.909 1.00 42.03 C ATOM 1249 CD LYS A 78 23.860 -9.673 -16.418 1.00 63.31 C ATOM 1250 CE LYS A 78 25.376 -9.793 -16.465 1.00 71.35 C ATOM 1251 NZ LYS A 78 26.046 -8.528 -16.055 1.00 35.21 N ATOM 0 H LYS A 78 19.741 -11.417 -14.582 1.00 25.31 H new ATOM 0 HA LYS A 78 21.842 -9.502 -14.357 1.00 22.22 H new ATOM 0 HB2 LYS A 78 21.290 -11.872 -15.783 1.00 2.14 H new ATOM 0 HB3 LYS A 78 21.415 -10.636 -17.019 1.00 2.14 H new ATOM 0 HG2 LYS A 78 23.514 -11.124 -14.875 1.00 42.03 H new ATOM 0 HG3 LYS A 78 23.579 -11.800 -16.491 1.00 42.03 H new ATOM 0 HD2 LYS A 78 23.481 -9.445 -17.414 1.00 63.31 H new ATOM 0 HD3 LYS A 78 23.580 -8.841 -15.772 1.00 63.31 H new ATOM 0 HE2 LYS A 78 25.697 -10.603 -15.809 1.00 71.35 H new ATOM 0 HE3 LYS A 78 25.688 -10.058 -17.475 1.00 71.35 H new ATOM 0 HZ1 LYS A 78 27.078 -8.651 -16.101 1.00 35.21 H new ATOM 0 HZ2 LYS A 78 25.760 -7.760 -16.696 1.00 35.21 H new ATOM 0 HZ3 LYS A 78 25.769 -8.288 -15.082 1.00 35.21 H new ATOM 1265 N GLU A 79 19.351 -8.863 -16.420 1.00 64.13 N ATOM 1266 CA GLU A 79 18.720 -7.808 -17.204 1.00 4.31 C ATOM 1267 C GLU A 79 18.348 -6.622 -16.319 1.00 14.21 C ATOM 1268 O GLU A 79 18.473 -5.466 -16.724 1.00 5.42 O ATOM 1269 CB GLU A 79 17.473 -8.343 -17.910 1.00 42.25 C ATOM 1270 CG GLU A 79 16.996 -7.462 -19.053 1.00 33.11 C ATOM 1271 CD GLU A 79 17.639 -7.825 -20.377 1.00 41.32 C ATOM 1272 OE1 GLU A 79 18.798 -8.290 -20.365 1.00 70.33 O ATOM 1273 OE2 GLU A 79 16.985 -7.643 -21.425 1.00 14.11 O ATOM 0 H GLU A 79 18.815 -9.729 -16.369 1.00 64.13 H new ATOM 0 HA GLU A 79 19.435 -7.470 -17.954 1.00 4.31 H new ATOM 0 HB2 GLU A 79 17.684 -9.341 -18.295 1.00 42.25 H new ATOM 0 HB3 GLU A 79 16.669 -8.445 -17.181 1.00 42.25 H new ATOM 0 HG2 GLU A 79 15.913 -7.546 -19.144 1.00 33.11 H new ATOM 0 HG3 GLU A 79 17.216 -6.420 -18.820 1.00 33.11 H new ATOM 1280 N THR A 80 17.887 -6.917 -15.107 1.00 51.11 N ATOM 1281 CA THR A 80 17.494 -5.877 -14.165 1.00 13.02 C ATOM 1282 C THR A 80 18.647 -4.919 -13.890 1.00 64.21 C ATOM 1283 O THR A 80 18.446 -3.712 -13.763 1.00 43.14 O ATOM 1284 CB THR A 80 17.013 -6.480 -12.831 1.00 43.22 C ATOM 1285 OG1 THR A 80 18.131 -6.982 -12.090 1.00 13.13 O ATOM 1286 CG2 THR A 80 16.014 -7.601 -13.073 1.00 13.20 C ATOM 0 H THR A 80 17.777 -7.868 -14.755 1.00 51.11 H new ATOM 0 HA THR A 80 16.672 -5.329 -14.625 1.00 13.02 H new ATOM 0 HB THR A 80 16.521 -5.694 -12.258 1.00 43.22 H new ATOM 0 HG1 THR A 80 18.663 -7.575 -12.661 1.00 13.13 H new ATOM 0 HG21 THR A 80 15.689 -8.011 -12.117 1.00 13.20 H new ATOM 0 HG22 THR A 80 15.151 -7.210 -13.612 1.00 13.20 H new ATOM 0 HG23 THR A 80 16.485 -8.387 -13.664 1.00 13.20 H new ATOM 1294 N GLU A 81 19.856 -5.466 -13.800 1.00 12.11 N ATOM 1295 CA GLU A 81 21.042 -4.658 -13.540 1.00 35.01 C ATOM 1296 C GLU A 81 21.261 -3.640 -14.655 1.00 44.11 C ATOM 1297 O GLU A 81 21.484 -2.458 -14.395 1.00 21.12 O ATOM 1298 CB GLU A 81 22.275 -5.553 -13.401 1.00 10.34 C ATOM 1299 CG GLU A 81 23.416 -4.901 -12.638 1.00 65.23 C ATOM 1300 CD GLU A 81 24.534 -5.874 -12.318 1.00 65.30 C ATOM 1301 OE1 GLU A 81 24.234 -7.055 -12.045 1.00 21.01 O ATOM 1302 OE2 GLU A 81 25.710 -5.454 -12.341 1.00 65.20 O ATOM 0 H GLU A 81 20.039 -6.464 -13.903 1.00 12.11 H new ATOM 0 HA GLU A 81 20.886 -4.119 -12.605 1.00 35.01 H new ATOM 0 HB2 GLU A 81 21.990 -6.475 -12.894 1.00 10.34 H new ATOM 0 HB3 GLU A 81 22.626 -5.831 -14.395 1.00 10.34 H new ATOM 0 HG2 GLU A 81 23.816 -4.074 -13.226 1.00 65.23 H new ATOM 0 HG3 GLU A 81 23.032 -4.476 -11.710 1.00 65.23 H new ATOM 1309 N GLU A 82 21.197 -4.109 -15.897 1.00 45.35 N ATOM 1310 CA GLU A 82 21.391 -3.239 -17.052 1.00 60.41 C ATOM 1311 C GLU A 82 20.435 -2.051 -17.005 1.00 33.20 C ATOM 1312 O GLU A 82 20.707 -0.998 -17.582 1.00 64.34 O ATOM 1313 CB GLU A 82 21.184 -4.024 -18.349 1.00 52.34 C ATOM 1314 CG GLU A 82 22.266 -3.780 -19.388 1.00 11.42 C ATOM 1315 CD GLU A 82 22.174 -4.735 -20.562 1.00 12.30 C ATOM 1316 OE1 GLU A 82 21.041 -5.056 -20.979 1.00 25.24 O ATOM 1317 OE2 GLU A 82 23.235 -5.160 -21.064 1.00 61.32 O ATOM 0 H GLU A 82 21.013 -5.085 -16.129 1.00 45.35 H new ATOM 0 HA GLU A 82 22.413 -2.861 -17.023 1.00 60.41 H new ATOM 0 HB2 GLU A 82 21.148 -5.089 -18.118 1.00 52.34 H new ATOM 0 HB3 GLU A 82 20.217 -3.757 -18.775 1.00 52.34 H new ATOM 0 HG2 GLU A 82 22.191 -2.755 -19.752 1.00 11.42 H new ATOM 0 HG3 GLU A 82 23.245 -3.881 -18.918 1.00 11.42 H new ATOM 1324 N ILE A 83 19.314 -2.229 -16.314 1.00 53.31 N ATOM 1325 CA ILE A 83 18.317 -1.172 -16.191 1.00 43.11 C ATOM 1326 C ILE A 83 18.917 0.077 -15.554 1.00 14.12 C ATOM 1327 O ILE A 83 18.660 1.198 -15.996 1.00 21.25 O ATOM 1328 CB ILE A 83 17.109 -1.632 -15.354 1.00 70.13 C ATOM 1329 CG1 ILE A 83 16.569 -2.961 -15.886 1.00 63.41 C ATOM 1330 CG2 ILE A 83 16.020 -0.569 -15.367 1.00 25.22 C ATOM 1331 CD1 ILE A 83 16.180 -2.914 -17.347 1.00 62.41 C ATOM 0 H ILE A 83 19.073 -3.095 -15.831 1.00 53.31 H new ATOM 0 HA ILE A 83 17.980 -0.936 -17.200 1.00 43.11 H new ATOM 0 HB ILE A 83 17.434 -1.779 -14.324 1.00 70.13 H new ATOM 0 HG12 ILE A 83 17.325 -3.734 -15.744 1.00 63.41 H new ATOM 0 HG13 ILE A 83 15.700 -3.253 -15.296 1.00 63.41 H new ATOM 0 HG21 ILE A 83 15.173 -0.909 -14.771 1.00 25.22 H new ATOM 0 HG22 ILE A 83 16.411 0.358 -14.947 1.00 25.22 H new ATOM 0 HG23 ILE A 83 15.695 -0.393 -16.393 1.00 25.22 H new ATOM 0 HD11 ILE A 83 15.806 -3.890 -17.656 1.00 62.41 H new ATOM 0 HD12 ILE A 83 15.402 -2.165 -17.492 1.00 62.41 H new ATOM 0 HD13 ILE A 83 17.052 -2.653 -17.947 1.00 62.41 H new ATOM 1343 N THR A 84 19.719 -0.123 -14.513 1.00 13.14 N ATOM 1344 CA THR A 84 20.356 0.986 -13.814 1.00 52.43 C ATOM 1345 C THR A 84 21.048 1.928 -14.794 1.00 33.25 C ATOM 1346 O THR A 84 21.105 3.137 -14.571 1.00 41.14 O ATOM 1347 CB THR A 84 21.387 0.485 -12.786 1.00 63.21 C ATOM 1348 OG1 THR A 84 21.708 1.532 -11.863 1.00 71.32 O ATOM 1349 CG2 THR A 84 22.654 0.007 -13.479 1.00 44.55 C ATOM 0 H THR A 84 19.943 -1.044 -14.135 1.00 13.14 H new ATOM 0 HA THR A 84 19.566 1.525 -13.291 1.00 52.43 H new ATOM 0 HB THR A 84 20.949 -0.354 -12.245 1.00 63.21 H new ATOM 0 HG1 THR A 84 22.363 1.205 -11.212 1.00 71.32 H new ATOM 0 HG21 THR A 84 23.367 -0.342 -12.733 1.00 44.55 H new ATOM 0 HG22 THR A 84 22.411 -0.810 -14.159 1.00 44.55 H new ATOM 0 HG23 THR A 84 23.093 0.830 -14.043 1.00 44.55 H new ATOM 1357 N SER A 85 21.571 1.366 -15.878 1.00 64.52 N ATOM 1358 CA SER A 85 22.263 2.155 -16.891 1.00 15.24 C ATOM 1359 C SER A 85 21.278 3.022 -17.669 1.00 53.12 C ATOM 1360 O SER A 85 21.414 4.245 -17.719 1.00 15.43 O ATOM 1361 CB SER A 85 23.023 1.239 -17.851 1.00 71.12 C ATOM 1362 OG SER A 85 24.397 1.580 -17.901 1.00 24.02 O ATOM 0 H SER A 85 21.529 0.367 -16.078 1.00 64.52 H new ATOM 0 HA SER A 85 22.974 2.808 -16.385 1.00 15.24 H new ATOM 0 HB2 SER A 85 22.914 0.202 -17.532 1.00 71.12 H new ATOM 0 HB3 SER A 85 22.590 1.313 -18.849 1.00 71.12 H new ATOM 0 HG SER A 85 24.861 0.979 -18.520 1.00 24.02 H new ATOM 1368 N LEU A 86 20.286 2.380 -18.276 1.00 71.12 N ATOM 1369 CA LEU A 86 19.276 3.091 -19.053 1.00 65.24 C ATOM 1370 C LEU A 86 18.650 4.214 -18.234 1.00 14.22 C ATOM 1371 O LEU A 86 18.284 5.259 -18.772 1.00 42.04 O ATOM 1372 CB LEU A 86 18.191 2.121 -19.525 1.00 3.31 C ATOM 1373 CG LEU A 86 18.681 0.783 -20.078 1.00 64.22 C ATOM 1374 CD1 LEU A 86 17.519 -0.020 -20.641 1.00 51.13 C ATOM 1375 CD2 LEU A 86 19.745 1.004 -21.144 1.00 22.52 C ATOM 0 H LEU A 86 20.159 1.368 -18.245 1.00 71.12 H new ATOM 0 HA LEU A 86 19.765 3.530 -19.923 1.00 65.24 H new ATOM 0 HB2 LEU A 86 17.521 1.922 -18.689 1.00 3.31 H new ATOM 0 HB3 LEU A 86 17.600 2.616 -20.296 1.00 3.31 H new ATOM 0 HG LEU A 86 19.126 0.215 -19.261 1.00 64.22 H new ATOM 0 HD11 LEU A 86 17.887 -0.969 -21.030 1.00 51.13 H new ATOM 0 HD12 LEU A 86 16.791 -0.209 -19.852 1.00 51.13 H new ATOM 0 HD13 LEU A 86 17.044 0.542 -21.445 1.00 51.13 H new ATOM 0 HD21 LEU A 86 20.082 0.041 -21.527 1.00 22.52 H new ATOM 0 HD22 LEU A 86 19.326 1.592 -21.960 1.00 22.52 H new ATOM 0 HD23 LEU A 86 20.590 1.538 -20.709 1.00 22.52 H new ATOM 1387 N TRP A 87 18.531 3.992 -16.930 1.00 15.31 N ATOM 1388 CA TRP A 87 17.950 4.987 -16.035 1.00 52.34 C ATOM 1389 C TRP A 87 18.619 6.344 -16.223 1.00 1.32 C ATOM 1390 O TRP A 87 17.971 7.385 -16.115 1.00 43.11 O ATOM 1391 CB TRP A 87 18.084 4.535 -14.580 1.00 40.14 C ATOM 1392 CG TRP A 87 16.943 4.976 -13.714 1.00 22.31 C ATOM 1393 CD1 TRP A 87 15.995 5.910 -14.020 1.00 31.34 C ATOM 1394 CD2 TRP A 87 16.633 4.501 -12.399 1.00 51.41 C ATOM 1395 NE1 TRP A 87 15.114 6.045 -12.974 1.00 74.50 N ATOM 1396 CE2 TRP A 87 15.483 5.191 -11.968 1.00 74.02 C ATOM 1397 CE3 TRP A 87 17.213 3.560 -11.545 1.00 22.01 C ATOM 1398 CZ2 TRP A 87 14.905 4.968 -10.721 1.00 41.21 C ATOM 1399 CZ3 TRP A 87 16.639 3.340 -10.307 1.00 51.33 C ATOM 1400 CH2 TRP A 87 15.494 4.041 -9.905 1.00 42.10 C ATOM 0 H TRP A 87 18.829 3.132 -16.469 1.00 15.31 H new ATOM 0 HA TRP A 87 16.893 5.087 -16.280 1.00 52.34 H new ATOM 0 HB2 TRP A 87 18.155 3.448 -14.550 1.00 40.14 H new ATOM 0 HB3 TRP A 87 19.015 4.926 -14.170 1.00 40.14 H new ATOM 0 HD1 TRP A 87 15.945 6.461 -14.947 1.00 31.34 H new ATOM 0 HE1 TRP A 87 14.315 6.678 -12.950 1.00 74.50 H new ATOM 0 HE3 TRP A 87 18.095 3.014 -11.847 1.00 22.01 H new ATOM 0 HZ2 TRP A 87 14.023 5.508 -10.409 1.00 41.21 H new ATOM 0 HZ3 TRP A 87 17.080 2.616 -9.638 1.00 51.33 H new ATOM 0 HH2 TRP A 87 15.068 3.846 -8.932 1.00 42.10 H new ATOM 1411 N GLN A 88 19.918 6.325 -16.504 1.00 1.04 N ATOM 1412 CA GLN A 88 20.674 7.556 -16.705 1.00 71.53 C ATOM 1413 C GLN A 88 20.063 8.393 -17.824 1.00 72.53 C ATOM 1414 O GLN A 88 19.956 9.613 -17.713 1.00 34.05 O ATOM 1415 CB GLN A 88 22.134 7.235 -17.031 1.00 74.22 C ATOM 1416 CG GLN A 88 23.129 8.121 -16.300 1.00 40.34 C ATOM 1417 CD GLN A 88 23.656 7.483 -15.030 1.00 14.41 C ATOM 1418 OE1 GLN A 88 23.000 6.629 -14.433 1.00 22.21 O ATOM 1419 NE2 GLN A 88 24.845 7.896 -14.609 1.00 45.11 N ATOM 0 H GLN A 88 20.469 5.472 -16.598 1.00 1.04 H new ATOM 0 HA GLN A 88 20.634 8.133 -15.781 1.00 71.53 H new ATOM 0 HB2 GLN A 88 22.334 6.194 -16.779 1.00 74.22 H new ATOM 0 HB3 GLN A 88 22.289 7.338 -18.105 1.00 74.22 H new ATOM 0 HG2 GLN A 88 23.965 8.346 -16.963 1.00 40.34 H new ATOM 0 HG3 GLN A 88 22.653 9.070 -16.055 1.00 40.34 H new ATOM 0 HE21 GLN A 88 25.354 8.606 -15.135 1.00 45.11 H new ATOM 0 HE22 GLN A 88 25.250 7.503 -13.759 1.00 45.11 H new ATOM 1428 N GLY A 89 19.664 7.727 -18.904 1.00 55.21 N ATOM 1429 CA GLY A 89 19.069 8.426 -20.028 1.00 54.12 C ATOM 1430 C GLY A 89 17.826 9.201 -19.637 1.00 72.12 C ATOM 1431 O GLY A 89 17.713 10.392 -19.925 1.00 54.34 O ATOM 0 H GLY A 89 19.742 6.717 -19.020 1.00 55.21 H new ATOM 0 HA2 GLY A 89 19.801 9.111 -20.455 1.00 54.12 H new ATOM 0 HA3 GLY A 89 18.815 7.706 -20.806 1.00 54.12 H new ATOM 1435 N SER A 90 16.890 8.523 -18.980 1.00 50.13 N ATOM 1436 CA SER A 90 15.646 9.154 -18.554 1.00 44.21 C ATOM 1437 C SER A 90 15.927 10.430 -17.765 1.00 60.35 C ATOM 1438 O SER A 90 15.148 11.383 -17.806 1.00 71.02 O ATOM 1439 CB SER A 90 14.824 8.185 -17.703 1.00 12.23 C ATOM 1440 OG SER A 90 15.513 6.962 -17.512 1.00 43.02 O ATOM 0 H SER A 90 16.970 7.537 -18.731 1.00 50.13 H new ATOM 0 HA SER A 90 15.076 9.417 -19.445 1.00 44.21 H new ATOM 0 HB2 SER A 90 14.608 8.639 -16.736 1.00 12.23 H new ATOM 0 HB3 SER A 90 13.866 7.994 -18.187 1.00 12.23 H new ATOM 0 HG SER A 90 16.320 7.121 -16.979 1.00 43.02 H new ATOM 1446 N LEU A 91 17.045 10.440 -17.048 1.00 50.10 N ATOM 1447 CA LEU A 91 17.430 11.598 -16.249 1.00 5.02 C ATOM 1448 C LEU A 91 17.396 12.873 -17.085 1.00 62.15 C ATOM 1449 O LEU A 91 16.858 13.894 -16.658 1.00 11.31 O ATOM 1450 CB LEU A 91 18.829 11.396 -15.664 1.00 23.22 C ATOM 1451 CG LEU A 91 19.235 12.357 -14.546 1.00 12.11 C ATOM 1452 CD1 LEU A 91 20.363 11.765 -13.716 1.00 1.01 C ATOM 1453 CD2 LEU A 91 19.645 13.704 -15.123 1.00 70.14 C ATOM 0 H LEU A 91 17.701 9.660 -17.003 1.00 50.10 H new ATOM 0 HA LEU A 91 16.713 11.701 -15.435 1.00 5.02 H new ATOM 0 HB2 LEU A 91 18.898 10.377 -15.283 1.00 23.22 H new ATOM 0 HB3 LEU A 91 19.555 11.483 -16.472 1.00 23.22 H new ATOM 0 HG LEU A 91 18.374 12.510 -13.895 1.00 12.11 H new ATOM 0 HD11 LEU A 91 20.638 12.463 -12.926 1.00 1.01 H new ATOM 0 HD12 LEU A 91 20.034 10.826 -13.272 1.00 1.01 H new ATOM 0 HD13 LEU A 91 21.227 11.581 -14.355 1.00 1.01 H new ATOM 0 HD21 LEU A 91 19.931 14.375 -14.313 1.00 70.14 H new ATOM 0 HD22 LEU A 91 20.491 13.569 -15.797 1.00 70.14 H new ATOM 0 HD23 LEU A 91 18.808 14.134 -15.673 1.00 70.14 H new ATOM 1465 N PHE A 92 17.973 12.806 -18.281 1.00 74.40 N ATOM 1466 CA PHE A 92 18.007 13.954 -19.179 1.00 1.11 C ATOM 1467 C PHE A 92 16.614 14.263 -19.720 1.00 43.32 C ATOM 1468 O PHE A 92 16.278 15.419 -19.974 1.00 0.12 O ATOM 1469 CB PHE A 92 18.971 13.693 -20.338 1.00 51.13 C ATOM 1470 CG PHE A 92 19.897 14.842 -20.618 1.00 52.13 C ATOM 1471 CD1 PHE A 92 19.413 16.139 -20.686 1.00 72.51 C ATOM 1472 CD2 PHE A 92 21.251 14.626 -20.814 1.00 63.54 C ATOM 1473 CE1 PHE A 92 20.262 17.198 -20.943 1.00 42.22 C ATOM 1474 CE2 PHE A 92 22.105 15.681 -21.071 1.00 45.14 C ATOM 1475 CZ PHE A 92 21.610 16.969 -21.137 1.00 62.11 C ATOM 0 H PHE A 92 18.423 11.969 -18.650 1.00 74.40 H new ATOM 0 HA PHE A 92 18.357 14.817 -18.612 1.00 1.11 H new ATOM 0 HB2 PHE A 92 19.563 12.806 -20.115 1.00 51.13 H new ATOM 0 HB3 PHE A 92 18.395 13.474 -21.237 1.00 51.13 H new ATOM 0 HD1 PHE A 92 18.360 16.324 -20.536 1.00 72.51 H new ATOM 0 HD2 PHE A 92 21.644 13.621 -20.765 1.00 63.54 H new ATOM 0 HE1 PHE A 92 19.872 18.204 -20.992 1.00 42.22 H new ATOM 0 HE2 PHE A 92 23.159 15.499 -21.220 1.00 45.14 H new ATOM 0 HZ PHE A 92 22.276 17.795 -21.340 1.00 62.11 H new ATOM 1485 N ASN A 93 15.809 13.220 -19.895 1.00 41.51 N ATOM 1486 CA ASN A 93 14.453 13.380 -20.407 1.00 71.55 C ATOM 1487 C ASN A 93 13.633 14.294 -19.503 1.00 3.54 C ATOM 1488 O ASN A 93 13.111 15.316 -19.946 1.00 14.51 O ATOM 1489 CB ASN A 93 13.768 12.017 -20.528 1.00 60.35 C ATOM 1490 CG ASN A 93 12.897 11.915 -21.766 1.00 44.00 C ATOM 1491 OD1 ASN A 93 13.362 11.518 -22.835 1.00 21.45 O ATOM 1492 ND2 ASN A 93 11.627 12.275 -21.627 1.00 11.15 N ATOM 0 H ASN A 93 16.072 12.256 -19.690 1.00 41.51 H new ATOM 0 HA ASN A 93 14.516 13.838 -21.394 1.00 71.55 H new ATOM 0 HB2 ASN A 93 14.526 11.234 -20.555 1.00 60.35 H new ATOM 0 HB3 ASN A 93 13.158 11.840 -19.642 1.00 60.35 H new ATOM 0 HD21 ASN A 93 10.993 12.229 -22.425 1.00 11.15 H new ATOM 0 HD22 ASN A 93 11.285 12.598 -20.722 1.00 11.15 H new ATOM 1499 N ALA A 94 13.527 13.920 -18.232 1.00 35.30 N ATOM 1500 CA ALA A 94 12.773 14.707 -17.264 1.00 4.30 C ATOM 1501 C ALA A 94 13.394 14.609 -15.875 1.00 1.24 C ATOM 1502 O ALA A 94 14.054 15.539 -15.412 1.00 71.23 O ATOM 1503 CB ALA A 94 11.322 14.253 -17.229 1.00 33.21 C ATOM 0 H ALA A 94 13.954 13.077 -17.849 1.00 35.30 H new ATOM 0 HA ALA A 94 12.807 15.751 -17.576 1.00 4.30 H new ATOM 0 HB1 ALA A 94 10.772 14.850 -16.502 1.00 33.21 H new ATOM 0 HB2 ALA A 94 10.877 14.382 -18.215 1.00 33.21 H new ATOM 0 HB3 ALA A 94 11.276 13.202 -16.945 1.00 33.21 H new ATOM 1509 N ASN A 95 13.177 13.477 -15.213 1.00 62.22 N ATOM 1510 CA ASN A 95 13.715 13.258 -13.875 1.00 53.22 C ATOM 1511 C ASN A 95 13.321 11.881 -13.349 1.00 50.31 C ATOM 1512 O ASN A 95 12.571 11.767 -12.379 1.00 71.04 O ATOM 1513 CB ASN A 95 13.216 14.344 -12.919 1.00 62.41 C ATOM 1514 CG ASN A 95 11.723 14.579 -13.040 1.00 10.12 C ATOM 1515 OD1 ASN A 95 11.264 15.275 -13.946 1.00 3.44 O ATOM 1516 ND2 ASN A 95 10.957 13.998 -12.124 1.00 54.10 N ATOM 0 H ASN A 95 12.632 12.697 -15.581 1.00 62.22 H new ATOM 0 HA ASN A 95 14.802 13.307 -13.934 1.00 53.22 H new ATOM 0 HB2 ASN A 95 13.454 14.060 -11.894 1.00 62.41 H new ATOM 0 HB3 ASN A 95 13.745 15.275 -13.123 1.00 62.41 H new ATOM 0 HD21 ASN A 95 9.945 14.120 -12.154 1.00 54.10 H new ATOM 0 HD22 ASN A 95 11.381 13.430 -11.391 1.00 54.10 H new ATOM 1523 N TYR A 96 13.832 10.839 -13.995 1.00 3.14 N ATOM 1524 CA TYR A 96 13.533 9.470 -13.593 1.00 60.34 C ATOM 1525 C TYR A 96 12.035 9.193 -13.676 1.00 30.21 C ATOM 1526 O TYR A 96 11.283 9.503 -12.752 1.00 2.13 O ATOM 1527 CB TYR A 96 14.033 9.212 -12.171 1.00 61.11 C ATOM 1528 CG TYR A 96 15.521 9.420 -12.005 1.00 44.53 C ATOM 1529 CD1 TYR A 96 16.415 8.991 -12.978 1.00 65.34 C ATOM 1530 CD2 TYR A 96 16.034 10.046 -10.876 1.00 12.24 C ATOM 1531 CE1 TYR A 96 17.776 9.178 -12.831 1.00 42.51 C ATOM 1532 CE2 TYR A 96 17.393 10.239 -10.721 1.00 12.54 C ATOM 1533 CZ TYR A 96 18.260 9.804 -11.701 1.00 31.22 C ATOM 1534 OH TYR A 96 19.614 9.993 -11.549 1.00 44.14 O ATOM 0 H TYR A 96 14.455 10.916 -14.799 1.00 3.14 H new ATOM 0 HA TYR A 96 14.047 8.797 -14.279 1.00 60.34 H new ATOM 0 HB2 TYR A 96 13.504 9.872 -11.484 1.00 61.11 H new ATOM 0 HB3 TYR A 96 13.784 8.190 -11.887 1.00 61.11 H new ATOM 0 HD1 TYR A 96 16.039 8.503 -13.865 1.00 65.34 H new ATOM 0 HD2 TYR A 96 15.358 10.388 -10.106 1.00 12.24 H new ATOM 0 HE1 TYR A 96 18.457 8.836 -13.596 1.00 42.51 H new ATOM 0 HE2 TYR A 96 17.774 10.728 -9.837 1.00 12.54 H new ATOM 0 HH TYR A 96 19.787 10.449 -10.699 1.00 44.14 H new ATOM 1544 N ASP A 97 11.609 8.606 -14.789 1.00 40.52 N ATOM 1545 CA ASP A 97 10.201 8.285 -14.994 1.00 3.23 C ATOM 1546 C ASP A 97 9.981 6.776 -14.979 1.00 72.21 C ATOM 1547 O ASP A 97 9.662 6.174 -16.005 1.00 13.51 O ATOM 1548 CB ASP A 97 9.709 8.872 -16.317 1.00 42.25 C ATOM 1549 CG ASP A 97 9.144 10.270 -16.157 1.00 32.45 C ATOM 1550 OD1 ASP A 97 8.040 10.402 -15.586 1.00 64.51 O ATOM 1551 OD2 ASP A 97 9.805 11.231 -16.600 1.00 51.51 O ATOM 0 H ASP A 97 12.218 8.343 -15.563 1.00 40.52 H new ATOM 0 HA ASP A 97 9.630 8.726 -14.177 1.00 3.23 H new ATOM 0 HB2 ASP A 97 10.534 8.896 -17.029 1.00 42.25 H new ATOM 0 HB3 ASP A 97 8.943 8.220 -16.738 1.00 42.25 H new ATOM 1556 N VAL A 98 10.154 6.169 -13.809 1.00 60.32 N ATOM 1557 CA VAL A 98 9.974 4.730 -13.661 1.00 20.53 C ATOM 1558 C VAL A 98 9.062 4.408 -12.482 1.00 3.52 C ATOM 1559 O VAL A 98 9.197 4.989 -11.405 1.00 22.20 O ATOM 1560 CB VAL A 98 11.323 4.013 -13.463 1.00 32.35 C ATOM 1561 CG1 VAL A 98 12.265 4.319 -14.616 1.00 42.34 C ATOM 1562 CG2 VAL A 98 11.947 4.411 -12.133 1.00 71.55 C ATOM 0 H VAL A 98 10.419 6.652 -12.950 1.00 60.32 H new ATOM 0 HA VAL A 98 9.513 4.373 -14.582 1.00 20.53 H new ATOM 0 HB VAL A 98 11.145 2.938 -13.448 1.00 32.35 H new ATOM 0 HG11 VAL A 98 13.213 3.804 -14.458 1.00 42.34 H new ATOM 0 HG12 VAL A 98 11.818 3.979 -15.551 1.00 42.34 H new ATOM 0 HG13 VAL A 98 12.440 5.394 -14.667 1.00 42.34 H new ATOM 0 HG21 VAL A 98 12.899 3.895 -12.009 1.00 71.55 H new ATOM 0 HG22 VAL A 98 12.113 5.488 -12.117 1.00 71.55 H new ATOM 0 HG23 VAL A 98 11.276 4.135 -11.319 1.00 71.55 H new ATOM 1572 N GLN A 99 8.135 3.480 -12.694 1.00 12.43 N ATOM 1573 CA GLN A 99 7.200 3.082 -11.648 1.00 2.34 C ATOM 1574 C GLN A 99 7.144 1.564 -11.517 1.00 74.12 C ATOM 1575 O GLN A 99 7.086 0.847 -12.516 1.00 45.04 O ATOM 1576 CB GLN A 99 5.804 3.633 -11.945 1.00 64.10 C ATOM 1577 CG GLN A 99 5.738 5.152 -11.950 1.00 73.42 C ATOM 1578 CD GLN A 99 6.334 5.758 -13.205 1.00 63.31 C ATOM 1579 OE1 GLN A 99 7.207 6.623 -13.136 1.00 3.31 O ATOM 1580 NE2 GLN A 99 5.865 5.305 -14.362 1.00 64.01 N ATOM 0 H GLN A 99 8.011 2.990 -13.580 1.00 12.43 H new ATOM 0 HA GLN A 99 7.552 3.497 -10.704 1.00 2.34 H new ATOM 0 HB2 GLN A 99 5.474 3.260 -12.915 1.00 64.10 H new ATOM 0 HB3 GLN A 99 5.105 3.250 -11.201 1.00 64.10 H new ATOM 0 HG2 GLN A 99 4.699 5.467 -11.857 1.00 73.42 H new ATOM 0 HG3 GLN A 99 6.267 5.538 -11.078 1.00 73.42 H new ATOM 0 HE21 GLN A 99 5.141 4.587 -14.373 1.00 64.01 H new ATOM 0 HE22 GLN A 99 6.229 5.675 -15.240 1.00 64.01 H new ATOM 1589 N ARG A 100 7.160 1.080 -10.279 1.00 44.24 N ATOM 1590 CA ARG A 100 7.113 -0.353 -10.019 1.00 34.44 C ATOM 1591 C ARG A 100 6.032 -0.684 -8.993 1.00 51.23 C ATOM 1592 O ARG A 100 5.776 0.093 -8.073 1.00 41.21 O ATOM 1593 CB ARG A 100 8.472 -0.848 -9.520 1.00 73.34 C ATOM 1594 CG ARG A 100 8.711 -0.585 -8.043 1.00 23.33 C ATOM 1595 CD ARG A 100 10.182 -0.327 -7.754 1.00 71.11 C ATOM 1596 NE ARG A 100 11.052 -1.243 -8.486 1.00 23.52 N ATOM 1597 CZ ARG A 100 11.154 -2.539 -8.210 1.00 14.12 C ATOM 1598 NH1 ARG A 100 10.442 -3.068 -7.224 1.00 51.31 N ATOM 1599 NH2 ARG A 100 11.968 -3.308 -8.921 1.00 32.40 N ATOM 0 H ARG A 100 7.205 1.660 -9.441 1.00 44.24 H new ATOM 0 HA ARG A 100 6.871 -0.858 -10.954 1.00 34.44 H new ATOM 0 HB2 ARG A 100 8.550 -1.919 -9.707 1.00 73.34 H new ATOM 0 HB3 ARG A 100 9.260 -0.365 -10.098 1.00 73.34 H new ATOM 0 HG2 ARG A 100 8.120 0.274 -7.725 1.00 23.33 H new ATOM 0 HG3 ARG A 100 8.369 -1.440 -7.460 1.00 23.33 H new ATOM 0 HD2 ARG A 100 10.429 0.700 -8.022 1.00 71.11 H new ATOM 0 HD3 ARG A 100 10.365 -0.430 -6.684 1.00 71.11 H new ATOM 0 HE ARG A 100 11.612 -0.868 -9.251 1.00 23.52 H new ATOM 0 HH11 ARG A 100 9.814 -2.480 -6.676 1.00 51.31 H new ATOM 0 HH12 ARG A 100 10.522 -4.063 -7.014 1.00 51.31 H new ATOM 0 HH21 ARG A 100 12.517 -2.905 -9.681 1.00 32.40 H new ATOM 0 HH22 ARG A 100 12.045 -4.303 -8.708 1.00 32.40 H new ATOM 1613 N PHE A 101 5.400 -1.841 -9.159 1.00 64.20 N ATOM 1614 CA PHE A 101 4.346 -2.274 -8.249 1.00 61.02 C ATOM 1615 C PHE A 101 4.442 -3.773 -7.979 1.00 42.31 C ATOM 1616 O PHE A 101 4.623 -4.570 -8.900 1.00 41.32 O ATOM 1617 CB PHE A 101 2.971 -1.936 -8.830 1.00 65.10 C ATOM 1618 CG PHE A 101 1.837 -2.216 -7.886 1.00 51.24 C ATOM 1619 CD1 PHE A 101 1.879 -1.763 -6.578 1.00 23.55 C ATOM 1620 CD2 PHE A 101 0.728 -2.932 -8.308 1.00 50.43 C ATOM 1621 CE1 PHE A 101 0.837 -2.019 -5.707 1.00 13.23 C ATOM 1622 CE2 PHE A 101 -0.318 -3.190 -7.442 1.00 43.52 C ATOM 1623 CZ PHE A 101 -0.263 -2.734 -6.140 1.00 2.35 C ATOM 0 H PHE A 101 5.599 -2.496 -9.915 1.00 64.20 H new ATOM 0 HA PHE A 101 4.475 -1.744 -7.305 1.00 61.02 H new ATOM 0 HB2 PHE A 101 2.951 -0.882 -9.107 1.00 65.10 H new ATOM 0 HB3 PHE A 101 2.821 -2.509 -9.745 1.00 65.10 H new ATOM 0 HD1 PHE A 101 2.736 -1.203 -6.235 1.00 23.55 H new ATOM 0 HD2 PHE A 101 0.680 -3.292 -9.325 1.00 50.43 H new ATOM 0 HE1 PHE A 101 0.883 -1.661 -4.689 1.00 13.23 H new ATOM 0 HE2 PHE A 101 -1.177 -3.748 -7.784 1.00 43.52 H new ATOM 0 HZ PHE A 101 -1.078 -2.936 -5.461 1.00 2.35 H new ATOM 1633 N ILE A 102 4.321 -4.148 -6.710 1.00 74.13 N ATOM 1634 CA ILE A 102 4.393 -5.550 -6.319 1.00 21.23 C ATOM 1635 C ILE A 102 3.214 -5.935 -5.431 1.00 4.31 C ATOM 1636 O ILE A 102 2.983 -5.323 -4.388 1.00 24.13 O ATOM 1637 CB ILE A 102 5.705 -5.859 -5.573 1.00 71.44 C ATOM 1638 CG1 ILE A 102 6.901 -5.300 -6.347 1.00 74.33 C ATOM 1639 CG2 ILE A 102 5.855 -7.359 -5.366 1.00 65.12 C ATOM 1640 CD1 ILE A 102 8.229 -5.550 -5.669 1.00 65.11 C ATOM 0 H ILE A 102 4.173 -3.501 -5.936 1.00 74.13 H new ATOM 0 HA ILE A 102 4.359 -6.136 -7.238 1.00 21.23 H new ATOM 0 HB ILE A 102 5.672 -5.378 -4.595 1.00 71.44 H new ATOM 0 HG12 ILE A 102 6.920 -5.746 -7.342 1.00 74.33 H new ATOM 0 HG13 ILE A 102 6.767 -4.227 -6.481 1.00 74.33 H new ATOM 0 HG21 ILE A 102 6.787 -7.562 -4.838 1.00 65.12 H new ATOM 0 HG22 ILE A 102 5.016 -7.731 -4.778 1.00 65.12 H new ATOM 0 HG23 ILE A 102 5.870 -7.860 -6.334 1.00 65.12 H new ATOM 0 HD11 ILE A 102 9.031 -5.127 -6.273 1.00 65.11 H new ATOM 0 HD12 ILE A 102 8.229 -5.081 -4.685 1.00 65.11 H new ATOM 0 HD13 ILE A 102 8.385 -6.623 -5.559 1.00 65.11 H new ATOM 1652 N VAL A 103 2.472 -6.954 -5.851 1.00 53.12 N ATOM 1653 CA VAL A 103 1.318 -7.423 -5.093 1.00 50.10 C ATOM 1654 C VAL A 103 1.132 -8.928 -5.251 1.00 13.24 C ATOM 1655 O VAL A 103 1.099 -9.447 -6.366 1.00 1.53 O ATOM 1656 CB VAL A 103 0.027 -6.708 -5.535 1.00 44.13 C ATOM 1657 CG1 VAL A 103 -0.215 -6.915 -7.023 1.00 32.05 C ATOM 1658 CG2 VAL A 103 -1.159 -7.199 -4.720 1.00 12.53 C ATOM 0 H VAL A 103 2.649 -7.471 -6.712 1.00 53.12 H new ATOM 0 HA VAL A 103 1.512 -7.191 -4.046 1.00 50.10 H new ATOM 0 HB VAL A 103 0.144 -5.639 -5.356 1.00 44.13 H new ATOM 0 HG11 VAL A 103 -1.131 -6.403 -7.317 1.00 32.05 H new ATOM 0 HG12 VAL A 103 0.625 -6.510 -7.588 1.00 32.05 H new ATOM 0 HG13 VAL A 103 -0.312 -7.981 -7.231 1.00 32.05 H new ATOM 0 HG21 VAL A 103 -2.063 -6.683 -5.045 1.00 12.53 H new ATOM 0 HG22 VAL A 103 -1.281 -8.272 -4.866 1.00 12.53 H new ATOM 0 HG23 VAL A 103 -0.985 -6.994 -3.664 1.00 12.53 H new ATOM 1668 N GLY A 104 1.009 -9.625 -4.125 1.00 3.32 N ATOM 1669 CA GLY A 104 0.827 -11.064 -4.159 1.00 62.04 C ATOM 1670 C GLY A 104 2.112 -11.804 -4.474 1.00 44.43 C ATOM 1671 O GLY A 104 3.133 -11.594 -3.819 1.00 64.33 O ATOM 0 H GLY A 104 1.032 -9.218 -3.190 1.00 3.32 H new ATOM 0 HA2 GLY A 104 0.444 -11.401 -3.196 1.00 62.04 H new ATOM 0 HA3 GLY A 104 0.075 -11.314 -4.907 1.00 62.04 H new ATOM 1675 N SER A 105 2.062 -12.672 -5.479 1.00 65.40 N ATOM 1676 CA SER A 105 3.230 -13.450 -5.876 1.00 5.01 C ATOM 1677 C SER A 105 3.760 -12.983 -7.228 1.00 42.22 C ATOM 1678 O SER A 105 4.692 -13.570 -7.779 1.00 10.33 O ATOM 1679 CB SER A 105 2.881 -14.938 -5.939 1.00 24.24 C ATOM 1680 OG SER A 105 2.085 -15.322 -4.831 1.00 74.25 O ATOM 0 H SER A 105 1.225 -12.854 -6.033 1.00 65.40 H new ATOM 0 HA SER A 105 4.008 -13.298 -5.128 1.00 5.01 H new ATOM 0 HB2 SER A 105 2.347 -15.151 -6.865 1.00 24.24 H new ATOM 0 HB3 SER A 105 3.797 -15.529 -5.955 1.00 24.24 H new ATOM 0 HG SER A 105 1.874 -16.277 -4.895 1.00 74.25 H new ATOM 1686 N ASP A 106 3.159 -11.923 -7.758 1.00 2.04 N ATOM 1687 CA ASP A 106 3.570 -11.375 -9.045 1.00 51.11 C ATOM 1688 C ASP A 106 3.935 -9.899 -8.916 1.00 73.21 C ATOM 1689 O ASP A 106 3.326 -9.165 -8.137 1.00 65.21 O ATOM 1690 CB ASP A 106 2.454 -11.549 -10.077 1.00 3.12 C ATOM 1691 CG ASP A 106 1.195 -10.794 -9.701 1.00 12.45 C ATOM 1692 OD1 ASP A 106 1.195 -9.549 -9.805 1.00 43.11 O ATOM 1693 OD2 ASP A 106 0.208 -11.447 -9.302 1.00 62.23 O ATOM 0 H ASP A 106 2.386 -11.426 -7.316 1.00 2.04 H new ATOM 0 HA ASP A 106 4.452 -11.921 -9.380 1.00 51.11 H new ATOM 0 HB2 ASP A 106 2.805 -11.203 -11.049 1.00 3.12 H new ATOM 0 HB3 ASP A 106 2.221 -12.609 -10.181 1.00 3.12 H new ATOM 1698 N ARG A 107 4.932 -9.472 -9.684 1.00 74.11 N ATOM 1699 CA ARG A 107 5.379 -8.085 -9.654 1.00 10.22 C ATOM 1700 C ARG A 107 5.347 -7.473 -11.051 1.00 40.32 C ATOM 1701 O ARG A 107 5.522 -8.171 -12.049 1.00 53.35 O ATOM 1702 CB ARG A 107 6.794 -7.995 -9.078 1.00 74.24 C ATOM 1703 CG ARG A 107 7.856 -8.606 -9.977 1.00 64.10 C ATOM 1704 CD ARG A 107 8.964 -7.611 -10.285 1.00 63.03 C ATOM 1705 NE ARG A 107 9.567 -7.851 -11.594 1.00 23.35 N ATOM 1706 CZ ARG A 107 9.043 -7.420 -12.735 1.00 75.21 C ATOM 1707 NH1 ARG A 107 7.911 -6.730 -12.729 1.00 55.03 N ATOM 1708 NH2 ARG A 107 9.651 -7.679 -13.886 1.00 14.22 N ATOM 0 H ARG A 107 5.445 -10.067 -10.335 1.00 74.11 H new ATOM 0 HA ARG A 107 4.698 -7.524 -9.015 1.00 10.22 H new ATOM 0 HB2 ARG A 107 7.039 -6.948 -8.900 1.00 74.24 H new ATOM 0 HB3 ARG A 107 6.816 -8.497 -8.111 1.00 74.24 H new ATOM 0 HG2 ARG A 107 8.280 -9.487 -9.495 1.00 64.10 H new ATOM 0 HG3 ARG A 107 7.398 -8.942 -10.907 1.00 64.10 H new ATOM 0 HD2 ARG A 107 8.562 -6.599 -10.251 1.00 63.03 H new ATOM 0 HD3 ARG A 107 9.733 -7.674 -9.515 1.00 63.03 H new ATOM 0 HE ARG A 107 10.439 -8.379 -11.633 1.00 23.35 H new ATOM 0 HH11 ARG A 107 7.441 -6.529 -11.846 1.00 55.03 H new ATOM 0 HH12 ARG A 107 7.510 -6.400 -13.607 1.00 55.03 H new ATOM 0 HH21 ARG A 107 10.522 -8.210 -13.895 1.00 14.22 H new ATOM 0 HH22 ARG A 107 9.247 -7.347 -14.762 1.00 14.22 H new ATOM 1722 N ALA A 108 5.122 -6.164 -11.113 1.00 62.34 N ATOM 1723 CA ALA A 108 5.069 -5.458 -12.387 1.00 72.14 C ATOM 1724 C ALA A 108 6.114 -4.349 -12.445 1.00 13.05 C ATOM 1725 O ALA A 108 6.398 -3.699 -11.438 1.00 52.21 O ATOM 1726 CB ALA A 108 3.677 -4.887 -12.616 1.00 62.14 C ATOM 0 H ALA A 108 4.974 -5.572 -10.296 1.00 62.34 H new ATOM 0 HA ALA A 108 5.292 -6.172 -13.179 1.00 72.14 H new ATOM 0 HB1 ALA A 108 3.652 -4.362 -13.571 1.00 62.14 H new ATOM 0 HB2 ALA A 108 2.949 -5.698 -12.628 1.00 62.14 H new ATOM 0 HB3 ALA A 108 3.432 -4.191 -11.813 1.00 62.14 H new ATOM 1732 N ILE A 109 6.683 -4.139 -13.627 1.00 13.03 N ATOM 1733 CA ILE A 109 7.696 -3.108 -13.814 1.00 10.01 C ATOM 1734 C ILE A 109 7.368 -2.226 -15.014 1.00 31.21 C ATOM 1735 O ILE A 109 6.895 -2.710 -16.043 1.00 12.15 O ATOM 1736 CB ILE A 109 9.095 -3.722 -14.009 1.00 73.35 C ATOM 1737 CG1 ILE A 109 10.166 -2.631 -13.963 1.00 0.15 C ATOM 1738 CG2 ILE A 109 9.161 -4.481 -15.327 1.00 14.52 C ATOM 1739 CD1 ILE A 109 11.469 -3.090 -13.347 1.00 44.31 C ATOM 0 H ILE A 109 6.460 -4.669 -14.469 1.00 13.03 H new ATOM 0 HA ILE A 109 7.698 -2.500 -12.909 1.00 10.01 H new ATOM 0 HB ILE A 109 9.284 -4.424 -13.197 1.00 73.35 H new ATOM 0 HG12 ILE A 109 10.357 -2.278 -14.976 1.00 0.15 H new ATOM 0 HG13 ILE A 109 9.784 -1.782 -13.396 1.00 0.15 H new ATOM 0 HG21 ILE A 109 10.156 -4.909 -15.451 1.00 14.52 H new ATOM 0 HG22 ILE A 109 8.420 -5.280 -15.324 1.00 14.52 H new ATOM 0 HG23 ILE A 109 8.955 -3.798 -16.151 1.00 14.52 H new ATOM 0 HD11 ILE A 109 12.182 -2.265 -13.347 1.00 44.31 H new ATOM 0 HD12 ILE A 109 11.292 -3.416 -12.322 1.00 44.31 H new ATOM 0 HD13 ILE A 109 11.873 -3.919 -13.927 1.00 44.31 H new ATOM 1751 N PHE A 110 7.624 -0.930 -14.876 1.00 41.50 N ATOM 1752 CA PHE A 110 7.357 0.021 -15.949 1.00 70.13 C ATOM 1753 C PHE A 110 8.346 1.182 -15.906 1.00 51.11 C ATOM 1754 O PHE A 110 8.421 1.910 -14.917 1.00 43.40 O ATOM 1755 CB PHE A 110 5.926 0.551 -15.845 1.00 55.11 C ATOM 1756 CG PHE A 110 5.622 1.654 -16.819 1.00 63.30 C ATOM 1757 CD1 PHE A 110 5.895 2.974 -16.498 1.00 63.32 C ATOM 1758 CD2 PHE A 110 5.065 1.370 -18.055 1.00 50.14 C ATOM 1759 CE1 PHE A 110 5.616 3.990 -17.392 1.00 44.13 C ATOM 1760 CE2 PHE A 110 4.784 2.382 -18.954 1.00 3.42 C ATOM 1761 CZ PHE A 110 5.062 3.694 -18.622 1.00 55.00 C ATOM 0 H PHE A 110 8.016 -0.514 -14.032 1.00 41.50 H new ATOM 0 HA PHE A 110 7.476 -0.499 -16.899 1.00 70.13 H new ATOM 0 HB2 PHE A 110 5.230 -0.271 -16.011 1.00 55.11 H new ATOM 0 HB3 PHE A 110 5.755 0.915 -14.832 1.00 55.11 H new ATOM 0 HD1 PHE A 110 6.331 3.211 -15.539 1.00 63.32 H new ATOM 0 HD2 PHE A 110 4.848 0.346 -18.320 1.00 50.14 H new ATOM 0 HE1 PHE A 110 5.831 5.015 -17.129 1.00 44.13 H new ATOM 0 HE2 PHE A 110 4.348 2.147 -19.914 1.00 3.42 H new ATOM 0 HZ PHE A 110 4.846 4.487 -19.323 1.00 55.00 H new ATOM 1771 N MET A 111 9.103 1.347 -16.986 1.00 12.40 N ATOM 1772 CA MET A 111 10.087 2.420 -17.072 1.00 51.20 C ATOM 1773 C MET A 111 10.031 3.101 -18.436 1.00 13.43 C ATOM 1774 O MET A 111 9.986 2.437 -19.472 1.00 32.43 O ATOM 1775 CB MET A 111 11.493 1.873 -16.820 1.00 60.41 C ATOM 1776 CG MET A 111 12.041 1.050 -17.975 1.00 11.00 C ATOM 1777 SD MET A 111 13.476 0.065 -17.506 1.00 64.34 S ATOM 1778 CE MET A 111 14.679 0.625 -18.710 1.00 30.02 C ATOM 0 H MET A 111 9.054 0.752 -17.813 1.00 12.40 H new ATOM 0 HA MET A 111 9.850 3.159 -16.306 1.00 51.20 H new ATOM 0 HB2 MET A 111 12.169 2.706 -16.625 1.00 60.41 H new ATOM 0 HB3 MET A 111 11.479 1.257 -15.921 1.00 60.41 H new ATOM 0 HG2 MET A 111 11.258 0.390 -18.349 1.00 11.00 H new ATOM 0 HG3 MET A 111 12.314 1.716 -18.793 1.00 11.00 H new ATOM 0 HE1 MET A 111 15.411 -0.163 -18.886 1.00 30.02 H new ATOM 0 HE2 MET A 111 14.173 0.866 -19.645 1.00 30.02 H new ATOM 0 HE3 MET A 111 15.185 1.513 -18.332 1.00 30.02 H new ATOM 1788 N LEU A 112 10.033 4.430 -18.429 1.00 31.21 N ATOM 1789 CA LEU A 112 9.982 5.201 -19.666 1.00 11.31 C ATOM 1790 C LEU A 112 10.699 6.538 -19.504 1.00 70.21 C ATOM 1791 O LEU A 112 10.739 7.104 -18.412 1.00 33.25 O ATOM 1792 CB LEU A 112 8.529 5.436 -20.084 1.00 44.31 C ATOM 1793 CG LEU A 112 8.171 5.040 -21.517 1.00 11.12 C ATOM 1794 CD1 LEU A 112 8.882 5.942 -22.514 1.00 24.33 C ATOM 1795 CD2 LEU A 112 8.521 3.581 -21.770 1.00 51.02 C ATOM 0 H LEU A 112 10.069 4.995 -17.581 1.00 31.21 H new ATOM 0 HA LEU A 112 10.489 4.629 -20.443 1.00 11.31 H new ATOM 0 HB2 LEU A 112 7.882 4.883 -19.403 1.00 44.31 H new ATOM 0 HB3 LEU A 112 8.301 6.494 -19.953 1.00 44.31 H new ATOM 0 HG LEU A 112 7.096 5.163 -21.650 1.00 11.12 H new ATOM 0 HD11 LEU A 112 8.615 5.645 -23.528 1.00 24.33 H new ATOM 0 HD12 LEU A 112 8.581 6.976 -22.348 1.00 24.33 H new ATOM 0 HD13 LEU A 112 9.960 5.852 -22.382 1.00 24.33 H new ATOM 0 HD21 LEU A 112 8.259 3.316 -22.795 1.00 51.02 H new ATOM 0 HD22 LEU A 112 9.590 3.432 -21.618 1.00 51.02 H new ATOM 0 HD23 LEU A 112 7.965 2.948 -21.079 1.00 51.02 H new ATOM 1807 N ARG A 113 11.263 7.038 -20.599 1.00 75.50 N ATOM 1808 CA ARG A 113 11.977 8.308 -20.579 1.00 1.13 C ATOM 1809 C ARG A 113 11.015 9.470 -20.350 1.00 35.34 C ATOM 1810 O ARG A 113 11.328 10.415 -19.625 1.00 74.24 O ATOM 1811 CB ARG A 113 12.736 8.512 -21.891 1.00 70.13 C ATOM 1812 CG ARG A 113 11.836 8.547 -23.116 1.00 2.32 C ATOM 1813 CD ARG A 113 12.501 7.890 -24.315 1.00 22.00 C ATOM 1814 NE ARG A 113 11.569 7.057 -25.069 1.00 72.33 N ATOM 1815 CZ ARG A 113 10.608 7.546 -25.846 1.00 5.13 C ATOM 1816 NH1 ARG A 113 10.455 8.857 -25.970 1.00 3.23 N ATOM 1817 NH2 ARG A 113 9.799 6.723 -26.501 1.00 2.34 N ATOM 0 H ARG A 113 11.239 6.582 -21.511 1.00 75.50 H new ATOM 0 HA ARG A 113 12.690 8.281 -19.755 1.00 1.13 H new ATOM 0 HB2 ARG A 113 13.296 9.445 -21.835 1.00 70.13 H new ATOM 0 HB3 ARG A 113 13.464 7.709 -22.008 1.00 70.13 H new ATOM 0 HG2 ARG A 113 10.898 8.038 -22.894 1.00 2.32 H new ATOM 0 HG3 ARG A 113 11.588 9.581 -23.357 1.00 2.32 H new ATOM 0 HD2 ARG A 113 12.910 8.660 -24.969 1.00 22.00 H new ATOM 0 HD3 ARG A 113 13.339 7.281 -23.976 1.00 22.00 H new ATOM 0 HE ARG A 113 11.660 6.044 -24.995 1.00 72.33 H new ATOM 0 HH11 ARG A 113 11.076 9.493 -25.469 1.00 3.23 H new ATOM 0 HH12 ARG A 113 9.717 9.230 -26.567 1.00 3.23 H new ATOM 0 HH21 ARG A 113 9.914 5.714 -26.408 1.00 2.34 H new ATOM 0 HH22 ARG A 113 9.062 7.100 -27.097 1.00 2.34 H new ATOM 1831 N ASP A 114 9.843 9.392 -20.972 1.00 4.03 N ATOM 1832 CA ASP A 114 8.835 10.436 -20.836 1.00 15.25 C ATOM 1833 C ASP A 114 8.049 10.267 -19.539 1.00 3.44 C ATOM 1834 O ASP A 114 8.139 11.097 -18.634 1.00 60.43 O ATOM 1835 CB ASP A 114 7.880 10.412 -22.031 1.00 4.23 C ATOM 1836 CG ASP A 114 8.276 11.403 -23.108 1.00 4.14 C ATOM 1837 OD1 ASP A 114 8.792 12.485 -22.757 1.00 65.32 O ATOM 1838 OD2 ASP A 114 8.069 11.097 -24.301 1.00 3.42 O ATOM 0 H ASP A 114 9.568 8.617 -21.575 1.00 4.03 H new ATOM 0 HA ASP A 114 9.346 11.398 -20.808 1.00 15.25 H new ATOM 0 HB2 ASP A 114 7.858 9.408 -22.455 1.00 4.23 H new ATOM 0 HB3 ASP A 114 6.869 10.636 -21.689 1.00 4.23 H new ATOM 1843 N GLY A 115 7.278 9.187 -19.456 1.00 2.34 N ATOM 1844 CA GLY A 115 6.487 8.930 -18.266 1.00 44.03 C ATOM 1845 C GLY A 115 5.116 9.573 -18.332 1.00 21.33 C ATOM 1846 O GLY A 115 4.101 8.907 -18.130 1.00 33.33 O ATOM 0 H GLY A 115 7.187 8.486 -20.191 1.00 2.34 H new ATOM 0 HA2 GLY A 115 6.374 7.854 -18.134 1.00 44.03 H new ATOM 0 HA3 GLY A 115 7.019 9.305 -17.392 1.00 44.03 H new ATOM 1850 N SER A 116 5.086 10.871 -18.613 1.00 13.40 N ATOM 1851 CA SER A 116 3.829 11.606 -18.699 1.00 32.32 C ATOM 1852 C SER A 116 2.948 11.047 -19.812 1.00 71.20 C ATOM 1853 O SER A 116 1.832 10.589 -19.565 1.00 53.53 O ATOM 1854 CB SER A 116 4.098 13.092 -18.943 1.00 74.12 C ATOM 1855 OG SER A 116 3.353 13.899 -18.048 1.00 33.14 O ATOM 0 H SER A 116 5.918 11.436 -18.785 1.00 13.40 H new ATOM 0 HA SER A 116 3.304 11.491 -17.751 1.00 32.32 H new ATOM 0 HB2 SER A 116 5.162 13.297 -18.823 1.00 74.12 H new ATOM 0 HB3 SER A 116 3.838 13.348 -19.970 1.00 74.12 H new ATOM 0 HG SER A 116 3.544 14.844 -18.223 1.00 33.14 H new ATOM 1861 N TYR A 117 3.458 11.087 -21.038 1.00 1.32 N ATOM 1862 CA TYR A 117 2.718 10.588 -22.191 1.00 21.45 C ATOM 1863 C TYR A 117 2.606 9.067 -22.149 1.00 25.33 C ATOM 1864 O TYR A 117 1.638 8.490 -22.643 1.00 42.43 O ATOM 1865 CB TYR A 117 3.399 11.025 -23.489 1.00 20.44 C ATOM 1866 CG TYR A 117 2.668 10.580 -24.735 1.00 60.03 C ATOM 1867 CD1 TYR A 117 1.532 11.249 -25.174 1.00 0.21 C ATOM 1868 CD2 TYR A 117 3.112 9.490 -25.474 1.00 5.42 C ATOM 1869 CE1 TYR A 117 0.860 10.846 -26.312 1.00 4.21 C ATOM 1870 CE2 TYR A 117 2.448 9.081 -26.614 1.00 1.32 C ATOM 1871 CZ TYR A 117 1.323 9.762 -27.029 1.00 15.24 C ATOM 1872 OH TYR A 117 0.657 9.357 -28.163 1.00 21.11 O ATOM 0 H TYR A 117 4.381 11.460 -21.259 1.00 1.32 H new ATOM 0 HA TYR A 117 1.713 11.010 -22.156 1.00 21.45 H new ATOM 0 HB2 TYR A 117 3.485 12.112 -23.497 1.00 20.44 H new ATOM 0 HB3 TYR A 117 4.413 10.625 -23.510 1.00 20.44 H new ATOM 0 HD1 TYR A 117 1.168 12.099 -24.616 1.00 0.21 H new ATOM 0 HD2 TYR A 117 3.992 8.953 -25.151 1.00 5.42 H new ATOM 0 HE1 TYR A 117 -0.022 11.376 -26.638 1.00 4.21 H new ATOM 0 HE2 TYR A 117 2.808 8.233 -27.177 1.00 1.32 H new ATOM 0 HH TYR A 117 1.113 8.581 -28.550 1.00 21.11 H new ATOM 1882 N ALA A 118 3.605 8.423 -21.554 1.00 23.24 N ATOM 1883 CA ALA A 118 3.619 6.969 -21.444 1.00 4.43 C ATOM 1884 C ALA A 118 2.529 6.480 -20.497 1.00 31.20 C ATOM 1885 O ALA A 118 2.005 5.377 -20.656 1.00 52.43 O ATOM 1886 CB ALA A 118 4.984 6.489 -20.973 1.00 63.03 C ATOM 0 H ALA A 118 4.415 8.885 -21.141 1.00 23.24 H new ATOM 0 HA ALA A 118 3.420 6.552 -22.431 1.00 4.43 H new ATOM 0 HB1 ALA A 118 4.980 5.402 -20.895 1.00 63.03 H new ATOM 0 HB2 ALA A 118 5.746 6.799 -21.689 1.00 63.03 H new ATOM 0 HB3 ALA A 118 5.205 6.922 -19.997 1.00 63.03 H new ATOM 1892 N TRP A 119 2.193 7.305 -19.512 1.00 52.14 N ATOM 1893 CA TRP A 119 1.164 6.955 -18.539 1.00 64.22 C ATOM 1894 C TRP A 119 -0.119 6.517 -19.237 1.00 25.52 C ATOM 1895 O TRP A 119 -0.873 5.699 -18.710 1.00 40.43 O ATOM 1896 CB TRP A 119 0.879 8.142 -17.618 1.00 52.35 C ATOM 1897 CG TRP A 119 -0.126 7.837 -16.549 1.00 23.40 C ATOM 1898 CD1 TRP A 119 -1.485 7.918 -16.654 1.00 1.43 C ATOM 1899 CD2 TRP A 119 0.150 7.402 -15.213 1.00 3.41 C ATOM 1900 NE1 TRP A 119 -2.070 7.561 -15.463 1.00 55.10 N ATOM 1901 CE2 TRP A 119 -1.089 7.239 -14.563 1.00 40.44 C ATOM 1902 CE3 TRP A 119 1.323 7.133 -14.503 1.00 3.43 C ATOM 1903 CZ2 TRP A 119 -1.186 6.821 -13.239 1.00 5.11 C ATOM 1904 CZ3 TRP A 119 1.226 6.719 -13.188 1.00 72.41 C ATOM 1905 CH2 TRP A 119 -0.021 6.565 -12.567 1.00 70.15 C ATOM 0 H TRP A 119 2.618 8.221 -19.366 1.00 52.14 H new ATOM 0 HA TRP A 119 1.533 6.121 -17.941 1.00 64.22 H new ATOM 0 HB2 TRP A 119 1.810 8.462 -17.150 1.00 52.35 H new ATOM 0 HB3 TRP A 119 0.519 8.979 -18.217 1.00 52.35 H new ATOM 0 HD1 TRP A 119 -2.021 8.218 -17.542 1.00 1.43 H new ATOM 0 HE1 TRP A 119 -3.073 7.539 -15.279 1.00 55.10 H new ATOM 0 HE3 TRP A 119 2.288 7.247 -14.974 1.00 3.43 H new ATOM 0 HZ2 TRP A 119 -2.146 6.703 -12.759 1.00 5.11 H new ATOM 0 HZ3 TRP A 119 2.126 6.511 -12.629 1.00 72.41 H new ATOM 0 HH2 TRP A 119 -0.064 6.238 -11.539 1.00 70.15 H new ATOM 1916 N GLU A 120 -0.359 7.065 -20.424 1.00 21.13 N ATOM 1917 CA GLU A 120 -1.552 6.729 -21.192 1.00 10.41 C ATOM 1918 C GLU A 120 -1.563 5.249 -21.560 1.00 73.44 C ATOM 1919 O GLU A 120 -2.483 4.515 -21.196 1.00 64.31 O ATOM 1920 CB GLU A 120 -1.626 7.582 -22.460 1.00 43.31 C ATOM 1921 CG GLU A 120 -2.857 8.470 -22.526 1.00 51.00 C ATOM 1922 CD GLU A 120 -2.781 9.492 -23.644 1.00 63.40 C ATOM 1923 OE1 GLU A 120 -1.721 10.138 -23.785 1.00 33.02 O ATOM 1924 OE2 GLU A 120 -3.779 9.645 -24.378 1.00 34.14 O ATOM 0 H GLU A 120 0.256 7.743 -20.874 1.00 21.13 H new ATOM 0 HA GLU A 120 -2.423 6.937 -20.571 1.00 10.41 H new ATOM 0 HB2 GLU A 120 -0.735 8.206 -22.520 1.00 43.31 H new ATOM 0 HB3 GLU A 120 -1.615 6.926 -23.330 1.00 43.31 H new ATOM 0 HG2 GLU A 120 -3.741 7.849 -22.667 1.00 51.00 H new ATOM 0 HG3 GLU A 120 -2.979 8.987 -21.574 1.00 51.00 H new ATOM 1931 N ILE A 121 -0.536 4.817 -22.285 1.00 55.50 N ATOM 1932 CA ILE A 121 -0.428 3.425 -22.702 1.00 43.24 C ATOM 1933 C ILE A 121 -0.144 2.515 -21.512 1.00 51.11 C ATOM 1934 O ILE A 121 -0.539 1.349 -21.500 1.00 23.21 O ATOM 1935 CB ILE A 121 0.682 3.238 -23.754 1.00 21.44 C ATOM 1936 CG1 ILE A 121 0.510 4.243 -24.894 1.00 12.11 C ATOM 1937 CG2 ILE A 121 0.669 1.814 -24.289 1.00 61.32 C ATOM 1938 CD1 ILE A 121 -0.832 4.147 -25.586 1.00 44.25 C ATOM 0 H ILE A 121 0.233 5.411 -22.595 1.00 55.50 H new ATOM 0 HA ILE A 121 -1.386 3.152 -23.144 1.00 43.24 H new ATOM 0 HB ILE A 121 1.646 3.419 -23.279 1.00 21.44 H new ATOM 0 HG12 ILE A 121 0.636 5.252 -24.501 1.00 12.11 H new ATOM 0 HG13 ILE A 121 1.300 4.086 -25.628 1.00 12.11 H new ATOM 0 HG21 ILE A 121 1.459 1.697 -25.031 1.00 61.32 H new ATOM 0 HG22 ILE A 121 0.836 1.116 -23.469 1.00 61.32 H new ATOM 0 HG23 ILE A 121 -0.297 1.608 -24.751 1.00 61.32 H new ATOM 0 HD11 ILE A 121 -0.884 4.889 -26.383 1.00 44.25 H new ATOM 0 HD12 ILE A 121 -0.952 3.150 -26.010 1.00 44.25 H new ATOM 0 HD13 ILE A 121 -1.628 4.333 -24.865 1.00 44.25 H new ATOM 1950 N LYS A 122 0.541 3.056 -20.511 1.00 4.22 N ATOM 1951 CA LYS A 122 0.876 2.295 -19.313 1.00 1.31 C ATOM 1952 C LYS A 122 -0.367 1.641 -18.719 1.00 12.45 C ATOM 1953 O LYS A 122 -0.287 0.580 -18.101 1.00 25.51 O ATOM 1954 CB LYS A 122 1.533 3.205 -18.273 1.00 4.32 C ATOM 1955 CG LYS A 122 2.055 2.461 -17.056 1.00 32.21 C ATOM 1956 CD LYS A 122 1.139 2.642 -15.857 1.00 23.12 C ATOM 1957 CE LYS A 122 1.290 1.500 -14.863 1.00 50.30 C ATOM 1958 NZ LYS A 122 1.595 1.995 -13.492 1.00 43.10 N ATOM 0 H LYS A 122 0.876 4.020 -20.505 1.00 4.22 H new ATOM 0 HA LYS A 122 1.578 1.511 -19.596 1.00 1.31 H new ATOM 0 HB2 LYS A 122 2.358 3.742 -18.742 1.00 4.32 H new ATOM 0 HB3 LYS A 122 0.810 3.953 -17.948 1.00 4.32 H new ATOM 0 HG2 LYS A 122 2.146 1.400 -17.288 1.00 32.21 H new ATOM 0 HG3 LYS A 122 3.054 2.820 -16.809 1.00 32.21 H new ATOM 0 HD2 LYS A 122 1.366 3.587 -15.364 1.00 23.12 H new ATOM 0 HD3 LYS A 122 0.104 2.698 -16.194 1.00 23.12 H new ATOM 0 HE2 LYS A 122 0.372 0.913 -14.841 1.00 50.30 H new ATOM 0 HE3 LYS A 122 2.086 0.833 -15.194 1.00 50.30 H new ATOM 0 HZ1 LYS A 122 1.690 1.187 -12.844 1.00 43.10 H new ATOM 0 HZ2 LYS A 122 2.485 2.533 -13.507 1.00 43.10 H new ATOM 0 HZ3 LYS A 122 0.823 2.611 -13.166 1.00 43.10 H new ATOM 1972 N ASP A 123 -1.515 2.281 -18.910 1.00 54.33 N ATOM 1973 CA ASP A 123 -2.776 1.760 -18.395 1.00 54.33 C ATOM 1974 C ASP A 123 -3.175 0.482 -19.126 1.00 71.01 C ATOM 1975 O ASP A 123 -3.722 -0.444 -18.526 1.00 41.31 O ATOM 1976 CB ASP A 123 -3.881 2.809 -18.536 1.00 32.54 C ATOM 1977 CG ASP A 123 -5.051 2.544 -17.608 1.00 51.33 C ATOM 1978 OD1 ASP A 123 -5.042 1.499 -16.926 1.00 74.40 O ATOM 1979 OD2 ASP A 123 -5.976 3.383 -17.565 1.00 60.35 O ATOM 0 H ASP A 123 -1.599 3.162 -19.418 1.00 54.33 H new ATOM 0 HA ASP A 123 -2.640 1.526 -17.339 1.00 54.33 H new ATOM 0 HB2 ASP A 123 -3.470 3.796 -18.325 1.00 32.54 H new ATOM 0 HB3 ASP A 123 -4.235 2.824 -19.567 1.00 32.54 H new ATOM 1984 N PHE A 124 -2.899 0.438 -20.425 1.00 42.42 N ATOM 1985 CA PHE A 124 -3.231 -0.725 -21.239 1.00 25.42 C ATOM 1986 C PHE A 124 -2.372 -1.925 -20.848 1.00 42.31 C ATOM 1987 O PHE A 124 -2.881 -3.028 -20.648 1.00 63.52 O ATOM 1988 CB PHE A 124 -3.038 -0.408 -22.723 1.00 72.02 C ATOM 1989 CG PHE A 124 -4.303 -0.510 -23.527 1.00 11.12 C ATOM 1990 CD1 PHE A 124 -4.771 -1.742 -23.954 1.00 63.20 C ATOM 1991 CD2 PHE A 124 -5.024 0.627 -23.855 1.00 71.34 C ATOM 1992 CE1 PHE A 124 -5.935 -1.840 -24.693 1.00 45.43 C ATOM 1993 CE2 PHE A 124 -6.189 0.536 -24.594 1.00 63.50 C ATOM 1994 CZ PHE A 124 -6.644 -0.699 -25.015 1.00 2.14 C ATOM 0 H PHE A 124 -2.446 1.195 -20.937 1.00 42.42 H new ATOM 0 HA PHE A 124 -4.277 -0.975 -21.061 1.00 25.42 H new ATOM 0 HB2 PHE A 124 -2.634 0.600 -22.822 1.00 72.02 H new ATOM 0 HB3 PHE A 124 -2.297 -1.090 -23.139 1.00 72.02 H new ATOM 0 HD1 PHE A 124 -4.220 -2.637 -23.706 1.00 63.20 H new ATOM 0 HD2 PHE A 124 -4.672 1.595 -23.530 1.00 71.34 H new ATOM 0 HE1 PHE A 124 -6.290 -2.807 -25.018 1.00 45.43 H new ATOM 0 HE2 PHE A 124 -6.743 1.429 -24.842 1.00 63.50 H new ATOM 0 HZ PHE A 124 -7.552 -0.772 -25.595 1.00 2.14 H new ATOM 2004 N LEU A 125 -1.067 -1.701 -20.742 1.00 2.52 N ATOM 2005 CA LEU A 125 -0.135 -2.762 -20.376 1.00 35.04 C ATOM 2006 C LEU A 125 -0.541 -3.411 -19.056 1.00 3.42 C ATOM 2007 O LEU A 125 -0.808 -4.611 -18.998 1.00 52.12 O ATOM 2008 CB LEU A 125 1.286 -2.206 -20.269 1.00 34.13 C ATOM 2009 CG LEU A 125 2.184 -2.422 -21.487 1.00 23.22 C ATOM 2010 CD1 LEU A 125 2.524 -3.896 -21.644 1.00 45.05 C ATOM 2011 CD2 LEU A 125 1.514 -1.890 -22.745 1.00 70.11 C ATOM 0 H LEU A 125 -0.630 -0.794 -20.904 1.00 2.52 H new ATOM 0 HA LEU A 125 -0.162 -3.522 -21.157 1.00 35.04 H new ATOM 0 HB2 LEU A 125 1.222 -1.135 -20.075 1.00 34.13 H new ATOM 0 HB3 LEU A 125 1.768 -2.659 -19.402 1.00 34.13 H new ATOM 0 HG LEU A 125 3.112 -1.871 -21.333 1.00 23.22 H new ATOM 0 HD11 LEU A 125 3.164 -4.031 -22.516 1.00 45.05 H new ATOM 0 HD12 LEU A 125 3.046 -4.246 -20.753 1.00 45.05 H new ATOM 0 HD13 LEU A 125 1.606 -4.469 -21.775 1.00 45.05 H new ATOM 0 HD21 LEU A 125 2.168 -2.052 -23.602 1.00 70.11 H new ATOM 0 HD22 LEU A 125 0.571 -2.413 -22.904 1.00 70.11 H new ATOM 0 HD23 LEU A 125 1.323 -0.823 -22.632 1.00 70.11 H new ATOM 2023 N VAL A 126 -0.586 -2.608 -17.997 1.00 40.12 N ATOM 2024 CA VAL A 126 -0.962 -3.103 -16.678 1.00 51.33 C ATOM 2025 C VAL A 126 -2.324 -3.786 -16.716 1.00 33.15 C ATOM 2026 O VAL A 126 -2.591 -4.704 -15.940 1.00 71.33 O ATOM 2027 CB VAL A 126 -0.999 -1.964 -15.641 1.00 72.34 C ATOM 2028 CG1 VAL A 126 -1.985 -0.886 -16.067 1.00 23.54 C ATOM 2029 CG2 VAL A 126 -1.353 -2.509 -14.266 1.00 4.44 C ATOM 0 H VAL A 126 -0.367 -1.612 -18.027 1.00 40.12 H new ATOM 0 HA VAL A 126 -0.203 -3.828 -16.383 1.00 51.33 H new ATOM 0 HB VAL A 126 -0.008 -1.514 -15.584 1.00 72.34 H new ATOM 0 HG11 VAL A 126 -1.998 -0.090 -15.323 1.00 23.54 H new ATOM 0 HG12 VAL A 126 -1.683 -0.477 -17.031 1.00 23.54 H new ATOM 0 HG13 VAL A 126 -2.982 -1.318 -16.153 1.00 23.54 H new ATOM 0 HG21 VAL A 126 -1.375 -1.692 -13.545 1.00 4.44 H new ATOM 0 HG22 VAL A 126 -2.333 -2.985 -14.305 1.00 4.44 H new ATOM 0 HG23 VAL A 126 -0.605 -3.241 -13.961 1.00 4.44 H new ATOM 2039 N SER A 127 -3.183 -3.332 -17.622 1.00 74.05 N ATOM 2040 CA SER A 127 -4.521 -3.897 -17.759 1.00 64.52 C ATOM 2041 C SER A 127 -4.457 -5.415 -17.898 1.00 61.51 C ATOM 2042 O SER A 127 -5.305 -6.133 -17.370 1.00 34.24 O ATOM 2043 CB SER A 127 -5.232 -3.292 -18.971 1.00 64.52 C ATOM 2044 OG SER A 127 -6.558 -2.913 -18.647 1.00 40.14 O ATOM 0 H SER A 127 -2.977 -2.574 -18.273 1.00 74.05 H new ATOM 0 HA SER A 127 -5.085 -3.655 -16.858 1.00 64.52 H new ATOM 0 HB2 SER A 127 -4.678 -2.423 -19.325 1.00 64.52 H new ATOM 0 HB3 SER A 127 -5.246 -4.015 -19.787 1.00 64.52 H new ATOM 0 HG SER A 127 -6.990 -2.528 -19.437 1.00 40.14 H new ATOM 2050 N GLN A 128 -3.445 -5.896 -18.613 1.00 43.01 N ATOM 2051 CA GLN A 128 -3.270 -7.328 -18.823 1.00 32.45 C ATOM 2052 C GLN A 128 -3.084 -8.054 -17.494 1.00 70.01 C ATOM 2053 O GLN A 128 -3.681 -9.105 -17.261 1.00 14.14 O ATOM 2054 CB GLN A 128 -2.069 -7.589 -19.733 1.00 22.54 C ATOM 2055 CG GLN A 128 -2.446 -7.813 -21.188 1.00 65.42 C ATOM 2056 CD GLN A 128 -2.484 -6.525 -21.986 1.00 12.21 C ATOM 2057 OE1 GLN A 128 -1.752 -5.578 -21.694 1.00 73.54 O ATOM 2058 NE2 GLN A 128 -3.341 -6.481 -23.000 1.00 24.42 N ATOM 0 H GLN A 128 -2.734 -5.315 -19.057 1.00 43.01 H new ATOM 0 HA GLN A 128 -4.170 -7.712 -19.303 1.00 32.45 H new ATOM 0 HB2 GLN A 128 -1.385 -6.743 -19.670 1.00 22.54 H new ATOM 0 HB3 GLN A 128 -1.530 -8.463 -19.367 1.00 22.54 H new ATOM 0 HG2 GLN A 128 -1.730 -8.497 -21.644 1.00 65.42 H new ATOM 0 HG3 GLN A 128 -3.423 -8.295 -21.236 1.00 65.42 H new ATOM 0 HE21 GLN A 128 -3.929 -7.289 -23.207 1.00 24.42 H new ATOM 0 HE22 GLN A 128 -3.411 -5.639 -23.572 1.00 24.42 H new ATOM 2067 N ASP A 129 -2.252 -7.487 -16.628 1.00 30.04 N ATOM 2068 CA ASP A 129 -1.987 -8.080 -15.322 1.00 15.34 C ATOM 2069 C ASP A 129 -1.319 -9.443 -15.469 1.00 3.21 C ATOM 2070 O ASP A 129 -1.297 -10.239 -14.530 1.00 72.34 O ATOM 2071 CB ASP A 129 -3.288 -8.219 -14.528 1.00 45.31 C ATOM 2072 CG ASP A 129 -3.080 -8.026 -13.039 1.00 12.23 C ATOM 2073 OD1 ASP A 129 -2.385 -8.861 -12.424 1.00 21.01 O ATOM 2074 OD2 ASP A 129 -3.614 -7.040 -12.488 1.00 21.13 O ATOM 0 H ASP A 129 -1.749 -6.618 -16.806 1.00 30.04 H new ATOM 0 HA ASP A 129 -1.309 -7.420 -14.782 1.00 15.34 H new ATOM 0 HB2 ASP A 129 -4.011 -7.487 -14.889 1.00 45.31 H new ATOM 0 HB3 ASP A 129 -3.716 -9.205 -14.707 1.00 45.31 H new ATOM 2079 N ARG A 130 -0.775 -9.705 -16.653 1.00 1.40 N ATOM 2080 CA ARG A 130 -0.108 -10.972 -16.924 1.00 24.32 C ATOM 2081 C ARG A 130 0.537 -10.963 -18.307 1.00 2.33 C ATOM 2082 O ARG A 130 0.152 -11.732 -19.188 1.00 31.45 O ATOM 2083 CB ARG A 130 -1.103 -12.129 -16.822 1.00 33.24 C ATOM 2084 CG ARG A 130 -0.463 -13.499 -16.974 1.00 21.24 C ATOM 2085 CD ARG A 130 -1.167 -14.329 -18.036 1.00 14.24 C ATOM 2086 NE ARG A 130 -0.328 -15.419 -18.525 1.00 45.43 N ATOM 2087 CZ ARG A 130 -0.580 -16.098 -19.638 1.00 52.04 C ATOM 2088 NH1 ARG A 130 -1.643 -15.801 -20.374 1.00 2.14 N ATOM 2089 NH2 ARG A 130 0.231 -17.077 -20.019 1.00 4.45 N ATOM 0 H ARG A 130 -0.783 -9.056 -17.440 1.00 1.40 H new ATOM 0 HA ARG A 130 0.675 -11.108 -16.178 1.00 24.32 H new ATOM 0 HB2 ARG A 130 -1.608 -12.078 -15.857 1.00 33.24 H new ATOM 0 HB3 ARG A 130 -1.868 -12.008 -17.589 1.00 33.24 H new ATOM 0 HG2 ARG A 130 0.588 -13.383 -17.239 1.00 21.24 H new ATOM 0 HG3 ARG A 130 -0.495 -14.025 -16.020 1.00 21.24 H new ATOM 0 HD2 ARG A 130 -2.089 -14.739 -17.623 1.00 14.24 H new ATOM 0 HD3 ARG A 130 -1.449 -13.686 -18.870 1.00 14.24 H new ATOM 0 HE ARG A 130 0.497 -15.673 -17.982 1.00 45.43 H new ATOM 0 HH11 ARG A 130 -2.269 -15.049 -20.085 1.00 2.14 H new ATOM 0 HH12 ARG A 130 -1.834 -16.324 -21.228 1.00 2.14 H new ATOM 0 HH21 ARG A 130 1.050 -17.309 -19.457 1.00 4.45 H new ATOM 0 HH22 ARG A 130 0.036 -17.597 -20.874 1.00 4.45 H new ATOM 2103 N CYS A 131 1.519 -10.087 -18.490 1.00 10.13 N ATOM 2104 CA CYS A 131 2.217 -9.976 -19.766 1.00 14.01 C ATOM 2105 C CYS A 131 3.658 -9.520 -19.560 1.00 75.20 C ATOM 2106 O CYS A 131 3.946 -8.727 -18.665 1.00 1.41 O ATOM 2107 CB CYS A 131 1.486 -8.998 -20.687 1.00 1.42 C ATOM 2108 SG CYS A 131 1.350 -9.558 -22.400 1.00 72.33 S ATOM 0 H CYS A 131 1.850 -9.443 -17.771 1.00 10.13 H new ATOM 0 HA CYS A 131 2.231 -10.961 -20.232 1.00 14.01 H new ATOM 0 HB2 CYS A 131 0.485 -8.824 -20.293 1.00 1.42 H new ATOM 0 HB3 CYS A 131 2.007 -8.041 -20.669 1.00 1.42 H new ATOM 0 HG CYS A 131 0.715 -8.665 -23.099 1.00 72.33 H new ATOM 2114 N ALA A 132 4.558 -10.029 -20.394 1.00 25.21 N ATOM 2115 CA ALA A 132 5.969 -9.674 -20.304 1.00 24.33 C ATOM 2116 C ALA A 132 6.456 -9.025 -21.595 1.00 31.31 C ATOM 2117 O ALA A 132 6.305 -9.589 -22.678 1.00 64.31 O ATOM 2118 CB ALA A 132 6.804 -10.905 -19.982 1.00 72.45 C ATOM 0 H ALA A 132 4.335 -10.688 -21.140 1.00 25.21 H new ATOM 0 HA ALA A 132 6.085 -8.949 -19.498 1.00 24.33 H new ATOM 0 HB1 ALA A 132 7.855 -10.625 -19.918 1.00 72.45 H new ATOM 0 HB2 ALA A 132 6.481 -11.324 -19.029 1.00 72.45 H new ATOM 0 HB3 ALA A 132 6.674 -11.649 -20.768 1.00 72.45 H new ATOM 2124 N GLU A 133 7.039 -7.837 -21.472 1.00 13.24 N ATOM 2125 CA GLU A 133 7.545 -7.111 -22.630 1.00 65.35 C ATOM 2126 C GLU A 133 8.792 -6.310 -22.268 1.00 4.30 C ATOM 2127 O GLU A 133 8.911 -5.794 -21.156 1.00 62.14 O ATOM 2128 CB GLU A 133 6.469 -6.177 -23.186 1.00 13.21 C ATOM 2129 CG GLU A 133 5.121 -6.850 -23.383 1.00 32.25 C ATOM 2130 CD GLU A 133 4.212 -6.075 -24.316 1.00 51.41 C ATOM 2131 OE1 GLU A 133 4.559 -4.927 -24.666 1.00 23.41 O ATOM 2132 OE2 GLU A 133 3.153 -6.616 -24.697 1.00 52.11 O ATOM 0 H GLU A 133 7.172 -7.357 -20.582 1.00 13.24 H new ATOM 0 HA GLU A 133 7.812 -7.840 -23.395 1.00 65.35 H new ATOM 0 HB2 GLU A 133 6.348 -5.332 -22.508 1.00 13.21 H new ATOM 0 HB3 GLU A 133 6.807 -5.774 -24.141 1.00 13.21 H new ATOM 0 HG2 GLU A 133 5.275 -7.853 -23.782 1.00 32.25 H new ATOM 0 HG3 GLU A 133 4.631 -6.963 -22.416 1.00 32.25 H new ATOM 2139 N VAL A 134 9.720 -6.210 -23.214 1.00 44.14 N ATOM 2140 CA VAL A 134 10.958 -5.471 -22.996 1.00 64.32 C ATOM 2141 C VAL A 134 11.458 -4.842 -24.292 1.00 3.34 C ATOM 2142 O VAL A 134 11.489 -5.489 -25.339 1.00 24.12 O ATOM 2143 CB VAL A 134 12.061 -6.381 -22.422 1.00 13.34 C ATOM 2144 CG1 VAL A 134 12.277 -7.590 -23.318 1.00 71.14 C ATOM 2145 CG2 VAL A 134 13.355 -5.601 -22.243 1.00 33.01 C ATOM 0 H VAL A 134 9.638 -6.632 -24.139 1.00 44.14 H new ATOM 0 HA VAL A 134 10.734 -4.684 -22.276 1.00 64.32 H new ATOM 0 HB VAL A 134 11.740 -6.738 -21.443 1.00 13.34 H new ATOM 0 HG11 VAL A 134 13.060 -8.220 -22.896 1.00 71.14 H new ATOM 0 HG12 VAL A 134 11.351 -8.160 -23.389 1.00 71.14 H new ATOM 0 HG13 VAL A 134 12.576 -7.257 -24.312 1.00 71.14 H new ATOM 0 HG21 VAL A 134 14.123 -6.259 -21.837 1.00 33.01 H new ATOM 0 HG22 VAL A 134 13.682 -5.213 -23.208 1.00 33.01 H new ATOM 0 HG23 VAL A 134 13.188 -4.771 -21.556 1.00 33.01 H new ATOM 2155 N THR A 135 11.850 -3.574 -24.214 1.00 41.43 N ATOM 2156 CA THR A 135 12.348 -2.855 -25.380 1.00 64.12 C ATOM 2157 C THR A 135 13.650 -2.128 -25.063 1.00 63.33 C ATOM 2158 O THR A 135 13.693 -1.264 -24.187 1.00 42.41 O ATOM 2159 CB THR A 135 11.316 -1.834 -25.895 1.00 31.34 C ATOM 2160 OG1 THR A 135 9.999 -2.223 -25.489 1.00 12.32 O ATOM 2161 CG2 THR A 135 11.373 -1.724 -27.411 1.00 1.13 C ATOM 0 H THR A 135 11.832 -3.024 -23.355 1.00 41.43 H new ATOM 0 HA THR A 135 12.529 -3.599 -26.155 1.00 64.12 H new ATOM 0 HB THR A 135 11.556 -0.860 -25.467 1.00 31.34 H new ATOM 0 HG1 THR A 135 9.336 -1.675 -25.959 1.00 12.32 H new ATOM 0 HG21 THR A 135 10.635 -0.997 -27.751 1.00 1.13 H new ATOM 0 HG22 THR A 135 12.368 -1.400 -27.715 1.00 1.13 H new ATOM 0 HG23 THR A 135 11.156 -2.696 -27.855 1.00 1.13 H new ATOM 2169 N LEU A 136 14.710 -2.483 -25.781 1.00 23.30 N ATOM 2170 CA LEU A 136 16.015 -1.864 -25.577 1.00 1.44 C ATOM 2171 C LEU A 136 16.824 -1.858 -26.870 1.00 13.40 C ATOM 2172 O LEU A 136 16.658 -2.731 -27.720 1.00 74.34 O ATOM 2173 CB LEU A 136 16.787 -2.603 -24.482 1.00 61.05 C ATOM 2174 CG LEU A 136 17.343 -3.975 -24.864 1.00 63.30 C ATOM 2175 CD1 LEU A 136 16.262 -4.829 -25.508 1.00 62.21 C ATOM 2176 CD2 LEU A 136 18.535 -3.827 -25.798 1.00 43.32 C ATOM 0 H LEU A 136 14.691 -3.196 -26.510 1.00 23.30 H new ATOM 0 HA LEU A 136 15.855 -0.832 -25.266 1.00 1.44 H new ATOM 0 HB2 LEU A 136 17.617 -1.973 -24.162 1.00 61.05 H new ATOM 0 HB3 LEU A 136 16.130 -2.726 -23.621 1.00 61.05 H new ATOM 0 HG LEU A 136 17.679 -4.475 -23.955 1.00 63.30 H new ATOM 0 HD11 LEU A 136 16.676 -5.802 -25.773 1.00 62.21 H new ATOM 0 HD12 LEU A 136 15.439 -4.964 -24.806 1.00 62.21 H new ATOM 0 HD13 LEU A 136 15.895 -4.334 -26.407 1.00 62.21 H new ATOM 0 HD21 LEU A 136 18.917 -4.814 -26.059 1.00 43.32 H new ATOM 0 HD22 LEU A 136 18.225 -3.307 -26.704 1.00 43.32 H new ATOM 0 HD23 LEU A 136 19.318 -3.254 -25.301 1.00 43.32 H new