USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 TYR OH : rot -15:sc= 1.21 USER MOD Single : A 9 LYS NZ :NH3+ 175:sc= 0.872 (180deg=0.787) USER MOD Single : A 14 HIS : no HE2:sc= -0.256 K(o=-0.26,f=-1.6) USER MOD Single : A 18 MET CE :methyl 169:sc= -0.0243 (180deg=-0.188) USER MOD Single : A 20 SER OG : rot 31:sc= 1.18 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 44 MET CE :methyl 150:sc= -0.0518 (180deg=-1.12) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.054) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.962 K(o=-0.96,f=-0.34) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0112 USER MOD Single : A 79 MET CE :methyl 155:sc= -0.825 (180deg=-2.65!) USER MOD Single : A 80 HIS : no HD1:sc= -0.0381 X(o=-0.038,f=-0.16) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0.768 K(o=0.77,f=-1.2!) USER MOD Single : A 87 GLN : amide:sc= -0.926 X(o=-0.93,f=-0.88) USER MOD Single : A 89 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.7!) USER MOD Single : A 91 THR OG1 : rot 180:sc=-0.00994 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -14.110 -8.103 10.739 1.00 0.00 N ATOM 67 CA TYR A 8 -13.203 -8.077 9.619 1.00 0.00 C ATOM 68 C TYR A 8 -11.797 -8.432 10.111 1.00 0.00 C ATOM 69 O TYR A 8 -11.345 -7.983 11.168 1.00 0.00 O ATOM 70 CB TYR A 8 -13.324 -6.730 8.888 1.00 0.00 C ATOM 71 CG TYR A 8 -12.554 -5.621 9.537 1.00 0.00 C ATOM 72 CD1 TYR A 8 -11.169 -5.653 9.391 1.00 0.00 C ATOM 73 CD2 TYR A 8 -13.165 -4.649 10.342 1.00 0.00 C ATOM 74 CE1 TYR A 8 -10.369 -4.758 10.086 1.00 0.00 C ATOM 75 CE2 TYR A 8 -12.363 -3.654 10.946 1.00 0.00 C ATOM 76 CZ TYR A 8 -10.951 -3.725 10.835 1.00 0.00 C ATOM 77 OH TYR A 8 -10.127 -2.811 11.407 1.00 0.00 O ATOM 0 HA TYR A 8 -13.455 -8.829 8.871 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.975 -6.851 7.862 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.376 -6.448 8.836 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.715 -6.379 8.733 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.234 -4.660 10.498 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -9.294 -4.857 10.050 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.824 -2.843 11.490 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.208 -3.151 11.403 1.00 0.00 H new ATOM 87 N LYS A 9 -11.117 -9.288 9.359 1.00 0.00 N ATOM 88 CA LYS A 9 -9.695 -9.512 9.554 1.00 0.00 C ATOM 89 C LYS A 9 -8.955 -8.483 8.713 1.00 0.00 C ATOM 90 O LYS A 9 -9.304 -8.325 7.541 1.00 0.00 O ATOM 91 CB LYS A 9 -9.353 -10.962 9.161 1.00 0.00 C ATOM 92 CG LYS A 9 -8.870 -11.759 10.379 1.00 0.00 C ATOM 93 CD LYS A 9 -7.484 -11.334 10.887 1.00 0.00 C ATOM 94 CE LYS A 9 -6.332 -12.136 10.262 1.00 0.00 C ATOM 95 NZ LYS A 9 -6.227 -12.015 8.796 1.00 0.00 N ATOM 0 H LYS A 9 -11.531 -9.839 8.607 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.396 -9.390 10.595 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.231 -11.443 8.731 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.581 -10.962 8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.593 -11.645 11.186 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.844 -12.818 10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.337 -10.275 10.675 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.451 -11.450 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.394 -11.808 10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.457 -13.188 10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.377 -12.516 8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.070 -12.433 8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.160 -11.011 8.534 1.00 0.00 H new ATOM 109 N GLU A 10 -7.950 -7.813 9.277 1.00 0.00 N ATOM 110 CA GLU A 10 -6.889 -7.161 8.513 1.00 0.00 C ATOM 111 C GLU A 10 -5.855 -8.256 8.190 1.00 0.00 C ATOM 112 O GLU A 10 -5.771 -9.271 8.895 1.00 0.00 O ATOM 113 CB GLU A 10 -6.257 -6.020 9.361 1.00 0.00 C ATOM 114 CG GLU A 10 -6.795 -4.642 8.939 1.00 0.00 C ATOM 115 CD GLU A 10 -6.727 -3.529 10.001 1.00 0.00 C ATOM 116 OE1 GLU A 10 -7.626 -3.458 10.876 1.00 0.00 O ATOM 117 OE2 GLU A 10 -5.859 -2.640 9.899 1.00 0.00 O ATOM 0 H GLU A 10 -7.850 -7.707 10.287 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.265 -6.708 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.471 -6.188 10.417 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.173 -6.039 9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.239 -4.312 8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.834 -4.760 8.633 1.00 0.00 H new ATOM 124 N LEU A 11 -5.108 -8.109 7.102 1.00 0.00 N ATOM 125 CA LEU A 11 -4.132 -9.049 6.560 1.00 0.00 C ATOM 126 C LEU A 11 -2.902 -8.249 6.154 1.00 0.00 C ATOM 127 O LEU A 11 -3.002 -7.041 5.953 1.00 0.00 O ATOM 128 CB LEU A 11 -4.676 -9.759 5.304 1.00 0.00 C ATOM 129 CG LEU A 11 -5.690 -10.886 5.546 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.096 -10.376 5.884 1.00 0.00 C ATOM 131 CD2 LEU A 11 -5.778 -11.784 4.313 1.00 0.00 C ATOM 0 H LEU A 11 -5.173 -7.266 6.532 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.905 -9.802 7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.142 -9.011 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.832 -10.171 4.751 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.325 -11.442 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.762 -11.224 6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.056 -9.771 6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.471 -9.769 5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.500 -12.581 4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.097 -11.193 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.800 -12.220 4.110 1.00 0.00 H new ATOM 143 N ASP A 12 -1.769 -8.925 5.968 1.00 0.00 N ATOM 144 CA ASP A 12 -0.505 -8.311 5.607 1.00 0.00 C ATOM 145 C ASP A 12 0.064 -8.957 4.348 1.00 0.00 C ATOM 146 O ASP A 12 0.374 -10.154 4.301 1.00 0.00 O ATOM 147 CB ASP A 12 0.480 -8.347 6.783 1.00 0.00 C ATOM 148 CG ASP A 12 0.771 -9.731 7.363 1.00 0.00 C ATOM 149 OD1 ASP A 12 -0.128 -10.293 8.033 1.00 0.00 O ATOM 150 OD2 ASP A 12 1.913 -10.225 7.277 1.00 0.00 O ATOM 0 H ASP A 12 -1.710 -9.938 6.068 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.679 -7.260 5.378 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.422 -7.904 6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.089 -7.714 7.580 1.00 0.00 H new ATOM 155 N VAL A 13 0.180 -8.133 3.306 1.00 0.00 N ATOM 156 CA VAL A 13 0.910 -8.418 2.075 1.00 0.00 C ATOM 157 C VAL A 13 2.196 -7.586 2.137 1.00 0.00 C ATOM 158 O VAL A 13 2.164 -6.417 2.516 1.00 0.00 O ATOM 159 CB VAL A 13 0.059 -8.050 0.834 1.00 0.00 C ATOM 160 CG1 VAL A 13 0.853 -8.281 -0.463 1.00 0.00 C ATOM 161 CG2 VAL A 13 -1.306 -8.768 0.767 1.00 0.00 C ATOM 0 H VAL A 13 -0.252 -7.209 3.299 1.00 0.00 H new ATOM 0 HA VAL A 13 1.139 -9.480 1.985 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.167 -6.989 0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.235 -8.016 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.749 -7.661 -0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.139 -9.331 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.838 -8.455 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.149 -9.846 0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.896 -8.511 1.647 1.00 0.00 H new ATOM 171 N HIS A 14 3.336 -8.165 1.767 1.00 0.00 N ATOM 172 CA HIS A 14 4.575 -7.442 1.544 1.00 0.00 C ATOM 173 C HIS A 14 5.099 -7.859 0.181 1.00 0.00 C ATOM 174 O HIS A 14 5.606 -8.975 0.030 1.00 0.00 O ATOM 175 CB HIS A 14 5.545 -7.696 2.699 1.00 0.00 C ATOM 176 CG HIS A 14 6.951 -7.209 2.465 1.00 0.00 C ATOM 177 ND1 HIS A 14 7.831 -7.703 1.529 1.00 0.00 N ATOM 178 CD2 HIS A 14 7.619 -6.287 3.219 1.00 0.00 C ATOM 179 CE1 HIS A 14 9.017 -7.099 1.719 1.00 0.00 C ATOM 180 NE2 HIS A 14 8.937 -6.245 2.751 1.00 0.00 N ATOM 0 H HIS A 14 3.421 -9.170 1.612 1.00 0.00 H new ATOM 0 HA HIS A 14 4.430 -6.362 1.531 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.154 -7.215 3.595 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.576 -8.767 2.900 1.00 0.00 H new ATOM 0 HD1 HIS A 14 7.621 -8.403 0.818 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.207 -5.700 4.026 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.904 -7.275 1.128 1.00 0.00 H new ATOM 188 N LEU A 15 5.011 -6.970 -0.804 1.00 0.00 N ATOM 189 CA LEU A 15 5.379 -7.282 -2.182 1.00 0.00 C ATOM 190 C LEU A 15 6.746 -6.671 -2.426 1.00 0.00 C ATOM 191 O LEU A 15 6.937 -5.471 -2.232 1.00 0.00 O ATOM 192 CB LEU A 15 4.368 -6.683 -3.183 1.00 0.00 C ATOM 193 CG LEU A 15 3.209 -7.615 -3.577 1.00 0.00 C ATOM 194 CD1 LEU A 15 2.242 -6.880 -4.513 1.00 0.00 C ATOM 195 CD2 LEU A 15 3.706 -8.839 -4.345 1.00 0.00 C ATOM 0 H LEU A 15 4.683 -6.014 -0.670 1.00 0.00 H new ATOM 0 HA LEU A 15 5.385 -8.362 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.951 -5.772 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.904 -6.393 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 15 2.725 -7.922 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.424 -7.546 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.841 -6.003 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.773 -6.568 -5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.859 -9.473 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.212 -8.517 -5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.402 -9.401 -3.723 1.00 0.00 H new ATOM 207 N ARG A 16 7.716 -7.489 -2.840 1.00 0.00 N ATOM 208 CA ARG A 16 9.044 -6.991 -3.179 1.00 0.00 C ATOM 209 C ARG A 16 8.985 -6.290 -4.538 1.00 0.00 C ATOM 210 O ARG A 16 8.095 -6.550 -5.353 1.00 0.00 O ATOM 211 CB ARG A 16 10.065 -8.143 -3.191 1.00 0.00 C ATOM 212 CG ARG A 16 10.356 -8.759 -1.809 1.00 0.00 C ATOM 213 CD ARG A 16 9.315 -9.780 -1.316 1.00 0.00 C ATOM 214 NE ARG A 16 9.731 -10.441 -0.065 1.00 0.00 N ATOM 215 CZ ARG A 16 10.632 -11.423 0.064 1.00 0.00 C ATOM 216 NH1 ARG A 16 11.269 -11.926 -0.987 1.00 0.00 N ATOM 217 NH2 ARG A 16 10.881 -11.894 1.278 1.00 0.00 N ATOM 0 H ARG A 16 7.604 -8.497 -2.947 1.00 0.00 H new ATOM 0 HA ARG A 16 9.369 -6.273 -2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.700 -8.927 -3.854 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.000 -7.777 -3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.331 -9.245 -1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.427 -7.954 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.361 -9.277 -1.159 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.154 -10.534 -2.087 1.00 0.00 H new ATOM 0 HE ARG A 16 9.285 -10.116 0.793 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.077 -11.564 -1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.951 -12.674 -0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.391 -11.508 2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.563 -12.642 1.405 1.00 0.00 H new ATOM 231 N ARG A 17 9.973 -5.446 -4.828 1.00 0.00 N ATOM 232 CA ARG A 17 10.226 -4.899 -6.147 1.00 0.00 C ATOM 233 C ARG A 17 11.666 -5.246 -6.470 1.00 0.00 C ATOM 234 O ARG A 17 12.584 -4.570 -6.008 1.00 0.00 O ATOM 235 CB ARG A 17 10.002 -3.391 -6.160 1.00 0.00 C ATOM 236 CG ARG A 17 10.269 -2.748 -7.527 1.00 0.00 C ATOM 237 CD ARG A 17 11.028 -1.438 -7.367 1.00 0.00 C ATOM 238 NE ARG A 17 12.475 -1.683 -7.359 1.00 0.00 N ATOM 239 CZ ARG A 17 13.403 -0.878 -6.847 1.00 0.00 C ATOM 240 NH1 ARG A 17 13.062 0.290 -6.304 1.00 0.00 N ATOM 241 NH2 ARG A 17 14.671 -1.257 -6.898 1.00 0.00 N ATOM 0 H ARG A 17 10.636 -5.118 -4.126 1.00 0.00 H new ATOM 0 HA ARG A 17 9.546 -5.313 -6.891 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.975 -3.181 -5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.650 -2.928 -5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.844 -3.433 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.324 -2.566 -8.040 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.772 -0.760 -8.181 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.730 -0.949 -6.440 1.00 0.00 H new ATOM 0 HE ARG A 17 12.800 -2.551 -7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.083 0.574 -6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.780 0.900 -5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.920 -2.150 -7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.399 -0.656 -6.512 1.00 0.00 H new ATOM 255 N MET A 18 11.864 -6.291 -7.260 1.00 0.00 N ATOM 256 CA MET A 18 13.174 -6.684 -7.767 1.00 0.00 C ATOM 257 C MET A 18 13.112 -6.956 -9.269 1.00 0.00 C ATOM 258 O MET A 18 14.084 -7.435 -9.850 1.00 0.00 O ATOM 259 CB MET A 18 13.742 -7.864 -6.962 1.00 0.00 C ATOM 260 CG MET A 18 12.860 -9.114 -6.915 1.00 0.00 C ATOM 261 SD MET A 18 13.661 -10.544 -6.135 1.00 0.00 S ATOM 262 CE MET A 18 14.011 -9.913 -4.466 1.00 0.00 C ATOM 0 H MET A 18 11.108 -6.900 -7.573 1.00 0.00 H new ATOM 0 HA MET A 18 13.870 -5.857 -7.630 1.00 0.00 H new ATOM 0 HB2 MET A 18 14.709 -8.138 -7.385 1.00 0.00 H new ATOM 0 HB3 MET A 18 13.924 -7.530 -5.940 1.00 0.00 H new ATOM 0 HG2 MET A 18 11.944 -8.881 -6.372 1.00 0.00 H new ATOM 0 HG3 MET A 18 12.569 -9.381 -7.931 1.00 0.00 H new ATOM 0 HE1 MET A 18 14.320 -10.737 -3.823 1.00 0.00 H new ATOM 0 HE2 MET A 18 14.810 -9.173 -4.517 1.00 0.00 H new ATOM 0 HE3 MET A 18 13.113 -9.450 -4.056 1.00 0.00 H new ATOM 272 N GLU A 19 11.976 -6.684 -9.909 1.00 0.00 N ATOM 273 CA GLU A 19 11.725 -6.965 -11.310 1.00 0.00 C ATOM 274 C GLU A 19 10.653 -5.952 -11.761 1.00 0.00 C ATOM 275 O GLU A 19 10.920 -4.751 -11.713 1.00 0.00 O ATOM 276 CB GLU A 19 11.357 -8.457 -11.395 1.00 0.00 C ATOM 277 CG GLU A 19 11.350 -9.032 -12.814 1.00 0.00 C ATOM 278 CD GLU A 19 9.919 -9.264 -13.273 1.00 0.00 C ATOM 279 OE1 GLU A 19 9.264 -10.204 -12.763 1.00 0.00 O ATOM 280 OE2 GLU A 19 9.411 -8.458 -14.071 1.00 0.00 O ATOM 0 H GLU A 19 11.181 -6.246 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 19 12.565 -6.834 -11.992 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.062 -9.027 -10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.370 -8.600 -10.954 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.853 -8.346 -13.496 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.905 -9.970 -12.838 1.00 0.00 H new ATOM 287 N SER A 20 9.419 -6.383 -12.056 1.00 0.00 N ATOM 288 CA SER A 20 8.353 -5.531 -12.582 1.00 0.00 C ATOM 289 C SER A 20 7.933 -4.454 -11.581 1.00 0.00 C ATOM 290 O SER A 20 7.532 -3.359 -11.997 1.00 0.00 O ATOM 291 CB SER A 20 7.119 -6.394 -12.881 1.00 0.00 C ATOM 292 OG SER A 20 7.251 -7.144 -14.072 1.00 0.00 O ATOM 0 H SER A 20 9.132 -7.354 -11.932 1.00 0.00 H new ATOM 0 HA SER A 20 8.736 -5.048 -13.481 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.945 -7.073 -12.046 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.242 -5.752 -12.957 1.00 0.00 H new ATOM 0 HG SER A 20 8.194 -7.367 -14.215 1.00 0.00 H new ATOM 298 N GLY A 21 8.036 -4.726 -10.283 1.00 0.00 N ATOM 299 CA GLY A 21 7.471 -3.863 -9.273 1.00 0.00 C ATOM 300 C GLY A 21 5.976 -4.096 -9.178 1.00 0.00 C ATOM 301 O GLY A 21 5.171 -3.328 -9.714 1.00 0.00 O ATOM 0 H GLY A 21 8.512 -5.548 -9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.941 -4.059 -8.309 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.671 -2.820 -9.519 1.00 0.00 H new ATOM 305 N PHE A 22 5.631 -5.137 -8.420 1.00 0.00 N ATOM 306 CA PHE A 22 4.274 -5.462 -8.012 1.00 0.00 C ATOM 307 C PHE A 22 3.438 -5.881 -9.235 1.00 0.00 C ATOM 308 O PHE A 22 3.974 -6.126 -10.316 1.00 0.00 O ATOM 309 CB PHE A 22 3.668 -4.290 -7.199 1.00 0.00 C ATOM 310 CG PHE A 22 4.605 -3.509 -6.276 1.00 0.00 C ATOM 311 CD1 PHE A 22 5.683 -4.130 -5.607 1.00 0.00 C ATOM 312 CD2 PHE A 22 4.408 -2.124 -6.101 1.00 0.00 C ATOM 313 CE1 PHE A 22 6.556 -3.377 -4.809 1.00 0.00 C ATOM 314 CE2 PHE A 22 5.255 -1.377 -5.267 1.00 0.00 C ATOM 315 CZ PHE A 22 6.329 -2.006 -4.619 1.00 0.00 C ATOM 0 H PHE A 22 6.319 -5.799 -8.062 1.00 0.00 H new ATOM 0 HA PHE A 22 4.275 -6.322 -7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.226 -3.585 -7.904 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.854 -4.687 -6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.836 -5.194 -5.711 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.596 -1.632 -6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.404 -3.853 -4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.080 -0.321 -5.125 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.980 -1.435 -3.974 1.00 0.00 H new ATOM 325 N GLY A 23 2.125 -6.042 -9.064 1.00 0.00 N ATOM 326 CA GLY A 23 1.239 -6.466 -10.143 1.00 0.00 C ATOM 327 C GLY A 23 -0.211 -6.313 -9.722 1.00 0.00 C ATOM 328 O GLY A 23 -0.994 -7.245 -9.863 1.00 0.00 O ATOM 0 H GLY A 23 1.649 -5.882 -8.176 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.431 -5.871 -11.036 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.442 -7.505 -10.403 1.00 0.00 H new ATOM 332 N PHE A 24 -0.556 -5.173 -9.126 1.00 0.00 N ATOM 333 CA PHE A 24 -1.890 -4.866 -8.635 1.00 0.00 C ATOM 334 C PHE A 24 -2.177 -3.402 -8.977 1.00 0.00 C ATOM 335 O PHE A 24 -1.260 -2.581 -9.098 1.00 0.00 O ATOM 336 CB PHE A 24 -1.988 -5.186 -7.131 1.00 0.00 C ATOM 337 CG PHE A 24 -1.427 -4.131 -6.197 1.00 0.00 C ATOM 338 CD1 PHE A 24 -0.069 -4.143 -5.826 1.00 0.00 C ATOM 339 CD2 PHE A 24 -2.285 -3.148 -5.668 1.00 0.00 C ATOM 340 CE1 PHE A 24 0.433 -3.152 -4.961 1.00 0.00 C ATOM 341 CE2 PHE A 24 -1.788 -2.163 -4.805 1.00 0.00 C ATOM 342 CZ PHE A 24 -0.428 -2.157 -4.471 1.00 0.00 C ATOM 0 H PHE A 24 0.109 -4.416 -8.969 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.653 -5.482 -9.111 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.036 -5.347 -6.880 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.468 -6.125 -6.943 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.588 -4.912 -6.205 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.333 -3.153 -5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.475 -3.157 -4.676 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.450 -1.412 -4.399 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.038 -1.380 -3.831 1.00 0.00 H new ATOM 352 N ARG A 25 -3.453 -3.091 -9.150 1.00 0.00 N ATOM 353 CA ARG A 25 -4.019 -1.781 -9.435 1.00 0.00 C ATOM 354 C ARG A 25 -4.757 -1.288 -8.188 1.00 0.00 C ATOM 355 O ARG A 25 -5.036 -2.089 -7.293 1.00 0.00 O ATOM 356 CB ARG A 25 -4.935 -1.988 -10.651 1.00 0.00 C ATOM 357 CG ARG A 25 -5.303 -0.707 -11.395 1.00 0.00 C ATOM 358 CD ARG A 25 -6.054 -1.090 -12.674 1.00 0.00 C ATOM 359 NE ARG A 25 -6.374 0.113 -13.448 1.00 0.00 N ATOM 360 CZ ARG A 25 -7.579 0.510 -13.857 1.00 0.00 C ATOM 361 NH1 ARG A 25 -8.630 -0.296 -13.765 1.00 0.00 N ATOM 362 NH2 ARG A 25 -7.709 1.728 -14.362 1.00 0.00 N ATOM 0 H ARG A 25 -4.178 -3.806 -9.090 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.279 -1.016 -9.670 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.445 -2.669 -11.347 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.852 -2.476 -10.320 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.924 -0.069 -10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.405 -0.138 -11.638 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.446 -1.767 -13.274 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.970 -1.624 -12.421 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.588 0.712 -13.701 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.522 -1.233 -13.377 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.546 0.022 -14.082 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.896 2.341 -14.431 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.622 2.053 -14.681 1.00 0.00 H new ATOM 376 N ILE A 26 -5.142 -0.016 -8.102 1.00 0.00 N ATOM 377 CA ILE A 26 -5.953 0.504 -7.015 1.00 0.00 C ATOM 378 C ILE A 26 -7.117 1.270 -7.630 1.00 0.00 C ATOM 379 O ILE A 26 -6.925 2.022 -8.586 1.00 0.00 O ATOM 380 CB ILE A 26 -5.133 1.391 -6.046 1.00 0.00 C ATOM 381 CG1 ILE A 26 -3.622 1.061 -5.996 1.00 0.00 C ATOM 382 CG2 ILE A 26 -5.774 1.169 -4.675 1.00 0.00 C ATOM 383 CD1 ILE A 26 -2.836 1.805 -4.912 1.00 0.00 C ATOM 0 H ILE A 26 -4.893 0.688 -8.797 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.325 -0.322 -6.409 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.164 2.427 -6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.504 -0.011 -5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.182 1.291 -6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.250 1.764 -3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.821 1.470 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.709 0.114 -4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.788 1.509 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.917 2.879 -5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.243 1.557 -3.932 1.00 0.00 H new ATOM 395 N LEU A 27 -8.311 1.039 -7.088 1.00 0.00 N ATOM 396 CA LEU A 27 -9.603 1.600 -7.463 1.00 0.00 C ATOM 397 C LEU A 27 -10.342 1.922 -6.159 1.00 0.00 C ATOM 398 O LEU A 27 -9.761 1.822 -5.073 1.00 0.00 O ATOM 399 CB LEU A 27 -10.394 0.615 -8.350 1.00 0.00 C ATOM 400 CG LEU A 27 -9.714 0.273 -9.691 1.00 0.00 C ATOM 401 CD1 LEU A 27 -10.507 -0.792 -10.453 1.00 0.00 C ATOM 402 CD2 LEU A 27 -9.566 1.491 -10.602 1.00 0.00 C ATOM 0 H LEU A 27 -8.405 0.395 -6.303 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.483 2.506 -8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.554 -0.308 -7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.377 1.039 -8.554 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.722 -0.099 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.006 -1.015 -11.395 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.569 -1.699 -9.852 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.512 -0.422 -10.656 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.081 1.193 -11.532 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.551 1.903 -10.822 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.960 2.247 -10.103 1.00 0.00 H new ATOM 414 N GLY A 28 -11.587 2.392 -6.235 1.00 0.00 N ATOM 415 CA GLY A 28 -12.257 2.937 -5.060 1.00 0.00 C ATOM 416 C GLY A 28 -11.516 4.193 -4.598 1.00 0.00 C ATOM 417 O GLY A 28 -10.792 4.809 -5.389 1.00 0.00 O ATOM 0 H GLY A 28 -12.145 2.406 -7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.294 3.178 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.276 2.196 -4.261 1.00 0.00 H new ATOM 421 N GLY A 29 -11.711 4.592 -3.339 1.00 0.00 N ATOM 422 CA GLY A 29 -11.062 5.764 -2.762 1.00 0.00 C ATOM 423 C GLY A 29 -11.358 7.043 -3.538 1.00 0.00 C ATOM 424 O GLY A 29 -10.540 7.954 -3.529 1.00 0.00 O ATOM 0 H GLY A 29 -12.329 4.105 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.392 5.886 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.985 5.601 -2.735 1.00 0.00 H new ATOM 428 N ASP A 30 -12.475 7.105 -4.263 1.00 0.00 N ATOM 429 CA ASP A 30 -12.776 8.207 -5.176 1.00 0.00 C ATOM 430 C ASP A 30 -12.937 9.519 -4.406 1.00 0.00 C ATOM 431 O ASP A 30 -12.628 10.590 -4.919 1.00 0.00 O ATOM 432 CB ASP A 30 -14.066 7.889 -5.943 1.00 0.00 C ATOM 433 CG ASP A 30 -14.155 8.602 -7.297 1.00 0.00 C ATOM 434 OD1 ASP A 30 -14.095 9.846 -7.370 1.00 0.00 O ATOM 435 OD2 ASP A 30 -14.313 7.878 -8.311 1.00 0.00 O ATOM 0 H ASP A 30 -13.200 6.388 -4.233 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.949 8.322 -5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.131 6.813 -6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.923 8.173 -5.333 1.00 0.00 H new ATOM 440 N GLU A 31 -13.360 9.418 -3.145 1.00 0.00 N ATOM 441 CA GLU A 31 -13.716 10.507 -2.255 1.00 0.00 C ATOM 442 C GLU A 31 -13.076 10.230 -0.884 1.00 0.00 C ATOM 443 O GLU A 31 -12.726 9.077 -0.606 1.00 0.00 O ATOM 444 CB GLU A 31 -15.249 10.556 -2.158 1.00 0.00 C ATOM 445 CG GLU A 31 -15.935 11.099 -3.418 1.00 0.00 C ATOM 446 CD GLU A 31 -15.714 12.607 -3.556 1.00 0.00 C ATOM 447 OE1 GLU A 31 -16.282 13.338 -2.716 1.00 0.00 O ATOM 448 OE2 GLU A 31 -15.143 13.084 -4.567 1.00 0.00 O ATOM 0 H GLU A 31 -13.468 8.509 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.356 11.469 -2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.623 9.552 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.530 11.177 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.544 10.588 -4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.003 10.887 -3.375 1.00 0.00 H new ATOM 455 N PRO A 32 -12.923 11.252 -0.018 1.00 0.00 N ATOM 456 CA PRO A 32 -12.087 11.226 1.187 1.00 0.00 C ATOM 457 C PRO A 32 -12.734 10.484 2.370 1.00 0.00 C ATOM 458 O PRO A 32 -12.548 10.832 3.537 1.00 0.00 O ATOM 459 CB PRO A 32 -11.763 12.702 1.459 1.00 0.00 C ATOM 460 CG PRO A 32 -12.978 13.457 0.934 1.00 0.00 C ATOM 461 CD PRO A 32 -13.487 12.581 -0.207 1.00 0.00 C ATOM 0 HA PRO A 32 -11.176 10.645 1.042 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.609 12.886 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.851 13.010 0.947 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.735 13.585 1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.709 14.453 0.584 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -14.576 12.540 -0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -13.187 12.992 -1.171 1.00 0.00 H new ATOM 469 N GLY A 33 -13.480 9.427 2.070 1.00 0.00 N ATOM 470 CA GLY A 33 -14.005 8.461 3.012 1.00 0.00 C ATOM 471 C GLY A 33 -14.515 7.208 2.304 1.00 0.00 C ATOM 472 O GLY A 33 -15.346 6.491 2.866 1.00 0.00 O ATOM 0 H GLY A 33 -13.746 9.215 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.227 8.186 3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.816 8.912 3.584 1.00 0.00 H new ATOM 476 N GLN A 34 -14.075 6.938 1.066 1.00 0.00 N ATOM 477 CA GLN A 34 -14.464 5.718 0.369 1.00 0.00 C ATOM 478 C GLN A 34 -13.482 4.578 0.661 1.00 0.00 C ATOM 479 O GLN A 34 -12.300 4.839 0.882 1.00 0.00 O ATOM 480 CB GLN A 34 -14.553 5.950 -1.142 1.00 0.00 C ATOM 481 CG GLN A 34 -15.805 6.735 -1.541 1.00 0.00 C ATOM 482 CD GLN A 34 -17.030 5.860 -1.799 1.00 0.00 C ATOM 483 OE1 GLN A 34 -17.475 5.106 -0.933 1.00 0.00 O ATOM 484 NE2 GLN A 34 -17.605 5.941 -2.985 1.00 0.00 N ATOM 0 H GLN A 34 -13.454 7.548 0.535 1.00 0.00 H new ATOM 0 HA GLN A 34 -15.450 5.434 0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.667 6.490 -1.476 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.552 4.988 -1.655 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -16.041 7.449 -0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.588 7.313 -2.439 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -17.226 6.570 -3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -18.428 5.375 -3.193 1.00 0.00 H new ATOM 493 N PRO A 35 -13.938 3.319 0.563 1.00 0.00 N ATOM 494 CA PRO A 35 -13.091 2.137 0.664 1.00 0.00 C ATOM 495 C PRO A 35 -12.111 2.116 -0.510 1.00 0.00 C ATOM 496 O PRO A 35 -12.519 2.343 -1.657 1.00 0.00 O ATOM 497 CB PRO A 35 -14.050 0.938 0.616 1.00 0.00 C ATOM 498 CG PRO A 35 -15.463 1.523 0.644 1.00 0.00 C ATOM 499 CD PRO A 35 -15.285 2.955 0.165 1.00 0.00 C ATOM 0 HA PRO A 35 -12.497 2.120 1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.891 0.347 -0.286 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.886 0.274 1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.137 0.966 -0.007 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -15.888 1.489 1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -15.411 3.028 -0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.023 3.617 0.618 1.00 0.00 H new ATOM 507 N ILE A 36 -10.841 1.826 -0.247 1.00 0.00 N ATOM 508 CA ILE A 36 -9.789 1.831 -1.254 1.00 0.00 C ATOM 509 C ILE A 36 -9.585 0.388 -1.699 1.00 0.00 C ATOM 510 O ILE A 36 -8.865 -0.366 -1.064 1.00 0.00 O ATOM 511 CB ILE A 36 -8.529 2.535 -0.695 1.00 0.00 C ATOM 512 CG1 ILE A 36 -8.893 3.992 -0.305 1.00 0.00 C ATOM 513 CG2 ILE A 36 -7.375 2.464 -1.714 1.00 0.00 C ATOM 514 CD1 ILE A 36 -7.759 5.024 -0.312 1.00 0.00 C ATOM 0 H ILE A 36 -10.510 1.578 0.685 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.052 2.408 -2.140 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.180 2.025 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.670 4.340 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.328 3.975 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.497 2.964 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.136 1.421 -1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.675 2.957 -2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.152 5.998 -0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.985 4.719 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.333 5.089 -1.313 1.00 0.00 H new ATOM 526 N LEU A 37 -10.273 -0.034 -2.754 1.00 0.00 N ATOM 527 CA LEU A 37 -10.244 -1.418 -3.216 1.00 0.00 C ATOM 528 C LEU A 37 -9.053 -1.669 -4.144 1.00 0.00 C ATOM 529 O LEU A 37 -8.792 -0.911 -5.078 1.00 0.00 O ATOM 530 CB LEU A 37 -11.576 -1.818 -3.877 1.00 0.00 C ATOM 531 CG LEU A 37 -12.824 -1.552 -3.005 1.00 0.00 C ATOM 532 CD1 LEU A 37 -14.055 -2.247 -3.590 1.00 0.00 C ATOM 533 CD2 LEU A 37 -12.656 -1.996 -1.548 1.00 0.00 C ATOM 0 H LEU A 37 -10.868 0.575 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.114 -2.056 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.680 -1.274 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.541 -2.879 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.957 -0.470 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.921 -2.045 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.243 -1.870 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.880 -3.322 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.569 -1.779 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.457 -3.067 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.822 -1.458 -1.097 1.00 0.00 H new ATOM 545 N ILE A 38 -8.358 -2.781 -3.921 1.00 0.00 N ATOM 546 CA ILE A 38 -7.391 -3.398 -4.819 1.00 0.00 C ATOM 547 C ILE A 38 -8.126 -3.590 -6.154 1.00 0.00 C ATOM 548 O ILE A 38 -9.088 -4.351 -6.234 1.00 0.00 O ATOM 549 CB ILE A 38 -6.890 -4.723 -4.183 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.115 -4.481 -2.867 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.050 -5.608 -5.126 1.00 0.00 C ATOM 552 CD1 ILE A 38 -4.721 -3.856 -3.016 1.00 0.00 C ATOM 0 H ILE A 38 -8.463 -3.307 -3.053 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.499 -2.795 -4.990 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.805 -5.275 -3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.716 -3.834 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.011 -5.434 -2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.743 -6.511 -4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.647 -5.881 -5.997 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.166 -5.058 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.271 -3.732 -2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.093 -4.508 -3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.808 -2.883 -3.500 1.00 0.00 H new ATOM 564 N GLY A 39 -7.712 -2.854 -7.184 1.00 0.00 N ATOM 565 CA GLY A 39 -8.381 -2.742 -8.471 1.00 0.00 C ATOM 566 C GLY A 39 -8.557 -4.085 -9.177 1.00 0.00 C ATOM 567 O GLY A 39 -9.664 -4.614 -9.244 1.00 0.00 O ATOM 0 H GLY A 39 -6.860 -2.295 -7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.360 -2.284 -8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.808 -2.073 -9.114 1.00 0.00 H new ATOM 571 N ALA A 40 -7.470 -4.614 -9.731 1.00 0.00 N ATOM 572 CA ALA A 40 -7.371 -5.908 -10.378 1.00 0.00 C ATOM 573 C ALA A 40 -5.921 -6.361 -10.236 1.00 0.00 C ATOM 574 O ALA A 40 -5.017 -5.640 -10.671 1.00 0.00 O ATOM 575 CB ALA A 40 -7.744 -5.808 -11.852 1.00 0.00 C ATOM 0 H ALA A 40 -6.581 -4.114 -9.738 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.057 -6.619 -9.917 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.662 -6.791 -12.316 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.768 -5.447 -11.944 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.069 -5.114 -12.352 1.00 0.00 H new ATOM 581 N VAL A 41 -5.681 -7.494 -9.574 1.00 0.00 N ATOM 582 CA VAL A 41 -4.367 -8.096 -9.524 1.00 0.00 C ATOM 583 C VAL A 41 -4.146 -8.847 -10.831 1.00 0.00 C ATOM 584 O VAL A 41 -5.095 -9.328 -11.451 1.00 0.00 O ATOM 585 CB VAL A 41 -4.155 -8.895 -8.224 1.00 0.00 C ATOM 586 CG1 VAL A 41 -5.184 -8.643 -7.117 1.00 0.00 C ATOM 587 CG2 VAL A 41 -3.886 -10.393 -8.392 1.00 0.00 C ATOM 0 H VAL A 41 -6.396 -8.011 -9.062 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.578 -7.346 -9.463 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.217 -8.458 -7.882 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.941 -9.255 -6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.165 -7.590 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.179 -8.904 -7.478 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.753 -10.851 -7.412 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.731 -10.860 -8.899 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.983 -10.536 -8.985 1.00 0.00 H new ATOM 597 N ILE A 42 -2.891 -8.911 -11.257 1.00 0.00 N ATOM 598 CA ILE A 42 -2.495 -9.338 -12.584 1.00 0.00 C ATOM 599 C ILE A 42 -2.099 -10.809 -12.494 1.00 0.00 C ATOM 600 O ILE A 42 -1.102 -11.133 -11.847 1.00 0.00 O ATOM 601 CB ILE A 42 -1.358 -8.424 -13.077 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.774 -6.933 -13.069 1.00 0.00 C ATOM 603 CG2 ILE A 42 -0.877 -8.867 -14.463 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.865 -6.524 -14.065 1.00 0.00 C ATOM 0 H ILE A 42 -2.099 -8.658 -10.666 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.301 -9.254 -13.312 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.525 -8.521 -12.381 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.115 -6.679 -12.065 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.888 -6.330 -13.267 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.073 -8.210 -14.796 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.510 -9.892 -14.410 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.705 -8.814 -15.170 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.069 -5.458 -13.964 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.528 -6.734 -15.080 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.775 -7.089 -13.860 1.00 0.00 H new ATOM 616 N ALA A 43 -2.877 -11.687 -13.132 1.00 0.00 N ATOM 617 CA ALA A 43 -2.769 -13.139 -13.025 1.00 0.00 C ATOM 618 C ALA A 43 -1.410 -13.704 -13.417 1.00 0.00 C ATOM 619 O ALA A 43 -1.056 -14.799 -13.003 1.00 0.00 O ATOM 620 CB ALA A 43 -3.825 -13.795 -13.916 1.00 0.00 C ATOM 0 H ALA A 43 -3.626 -11.393 -13.759 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.917 -13.364 -11.969 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.745 -14.879 -13.837 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.818 -13.480 -13.596 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.665 -13.494 -14.951 1.00 0.00 H new ATOM 626 N MET A 44 -0.652 -12.987 -14.236 1.00 0.00 N ATOM 627 CA MET A 44 0.640 -13.428 -14.742 1.00 0.00 C ATOM 628 C MET A 44 1.769 -12.591 -14.139 1.00 0.00 C ATOM 629 O MET A 44 2.932 -12.845 -14.440 1.00 0.00 O ATOM 630 CB MET A 44 0.606 -13.364 -16.273 1.00 0.00 C ATOM 631 CG MET A 44 -0.470 -14.268 -16.899 1.00 0.00 C ATOM 632 SD MET A 44 -0.016 -16.009 -17.124 1.00 0.00 S ATOM 633 CE MET A 44 -0.483 -16.736 -15.529 1.00 0.00 C ATOM 0 H MET A 44 -0.924 -12.064 -14.574 1.00 0.00 H new ATOM 0 HA MET A 44 0.838 -14.458 -14.445 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.429 -12.334 -16.582 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.583 -13.651 -16.663 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.362 -14.224 -16.274 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.742 -13.856 -17.871 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.769 -17.778 -15.674 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.363 -16.684 -14.844 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.324 -16.184 -15.110 1.00 0.00 H new ATOM 643 N GLY A 45 1.444 -11.624 -13.281 1.00 0.00 N ATOM 644 CA GLY A 45 2.369 -10.661 -12.733 1.00 0.00 C ATOM 645 C GLY A 45 2.643 -10.937 -11.268 1.00 0.00 C ATOM 646 O GLY A 45 2.137 -11.886 -10.667 1.00 0.00 O ATOM 0 H GLY A 45 0.491 -11.494 -12.943 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.304 -10.691 -13.293 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.962 -9.656 -12.847 1.00 0.00 H new ATOM 650 N SER A 46 3.455 -10.078 -10.663 1.00 0.00 N ATOM 651 CA SER A 46 4.003 -10.311 -9.338 1.00 0.00 C ATOM 652 C SER A 46 3.004 -10.330 -8.172 1.00 0.00 C ATOM 653 O SER A 46 3.439 -10.652 -7.068 1.00 0.00 O ATOM 654 CB SER A 46 5.082 -9.260 -9.075 1.00 0.00 C ATOM 655 OG SER A 46 6.341 -9.667 -9.585 1.00 0.00 O ATOM 0 H SER A 46 3.751 -9.197 -11.082 1.00 0.00 H new ATOM 0 HA SER A 46 4.395 -11.328 -9.361 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.791 -8.315 -9.534 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.163 -9.081 -8.003 1.00 0.00 H new ATOM 0 HG SER A 46 7.008 -8.973 -9.402 1.00 0.00 H new ATOM 661 N ALA A 47 1.724 -9.978 -8.352 1.00 0.00 N ATOM 662 CA ALA A 47 0.758 -10.061 -7.253 1.00 0.00 C ATOM 663 C ALA A 47 0.181 -11.471 -7.125 1.00 0.00 C ATOM 664 O ALA A 47 0.007 -11.944 -6.005 1.00 0.00 O ATOM 665 CB ALA A 47 -0.377 -9.061 -7.451 1.00 0.00 C ATOM 0 H ALA A 47 1.340 -9.639 -9.234 1.00 0.00 H new ATOM 0 HA ALA A 47 1.292 -9.818 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.081 -9.141 -6.623 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.030 -8.050 -7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.892 -9.276 -8.387 1.00 0.00 H new ATOM 671 N ASP A 48 -0.112 -12.118 -8.255 1.00 0.00 N ATOM 672 CA ASP A 48 -0.754 -13.431 -8.314 1.00 0.00 C ATOM 673 C ASP A 48 0.189 -14.508 -7.792 1.00 0.00 C ATOM 674 O ASP A 48 -0.149 -15.207 -6.841 1.00 0.00 O ATOM 675 CB ASP A 48 -1.175 -13.702 -9.758 1.00 0.00 C ATOM 676 CG ASP A 48 -1.637 -15.143 -9.988 1.00 0.00 C ATOM 677 OD1 ASP A 48 -0.791 -16.063 -10.045 1.00 0.00 O ATOM 678 OD2 ASP A 48 -2.857 -15.305 -10.229 1.00 0.00 O ATOM 0 H ASP A 48 0.096 -11.733 -9.176 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.639 -13.446 -7.678 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.981 -13.021 -10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.338 -13.485 -10.421 1.00 0.00 H new ATOM 683 N ARG A 49 1.414 -14.580 -8.333 1.00 0.00 N ATOM 684 CA ARG A 49 2.421 -15.544 -7.877 1.00 0.00 C ATOM 685 C ARG A 49 2.685 -15.435 -6.379 1.00 0.00 C ATOM 686 O ARG A 49 3.087 -16.414 -5.753 1.00 0.00 O ATOM 687 CB ARG A 49 3.757 -15.316 -8.604 1.00 0.00 C ATOM 688 CG ARG A 49 3.951 -16.162 -9.873 1.00 0.00 C ATOM 689 CD ARG A 49 5.463 -16.363 -10.012 1.00 0.00 C ATOM 690 NE ARG A 49 5.889 -17.080 -11.223 1.00 0.00 N ATOM 691 CZ ARG A 49 7.158 -17.065 -11.658 1.00 0.00 C ATOM 692 NH1 ARG A 49 8.116 -16.512 -10.921 1.00 0.00 N ATOM 693 NH2 ARG A 49 7.481 -17.601 -12.823 1.00 0.00 N ATOM 0 H ARG A 49 1.731 -13.977 -9.092 1.00 0.00 H new ATOM 0 HA ARG A 49 2.021 -16.533 -8.101 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.834 -14.262 -8.871 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.572 -15.530 -7.913 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.435 -17.119 -9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.542 -15.656 -10.747 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.946 -15.386 -9.998 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.823 -16.909 -9.140 1.00 0.00 H new ATOM 0 HE ARG A 49 5.194 -17.608 -11.752 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.889 -16.095 -10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.079 -16.504 -11.258 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.761 -18.033 -13.403 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.450 -17.583 -13.142 1.00 0.00 H new ATOM 707 N ASP A 50 2.517 -14.247 -5.804 1.00 0.00 N ATOM 708 CA ASP A 50 2.764 -13.989 -4.393 1.00 0.00 C ATOM 709 C ASP A 50 1.756 -14.718 -3.502 1.00 0.00 C ATOM 710 O ASP A 50 2.072 -15.024 -2.358 1.00 0.00 O ATOM 711 CB ASP A 50 2.704 -12.480 -4.179 1.00 0.00 C ATOM 712 CG ASP A 50 3.299 -11.990 -2.867 1.00 0.00 C ATOM 713 OD1 ASP A 50 4.468 -12.356 -2.571 1.00 0.00 O ATOM 714 OD2 ASP A 50 2.642 -11.117 -2.263 1.00 0.00 O ATOM 0 H ASP A 50 2.200 -13.424 -6.317 1.00 0.00 H new ATOM 0 HA ASP A 50 3.747 -14.369 -4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.226 -11.991 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.662 -12.163 -4.229 1.00 0.00 H new ATOM 719 N GLY A 51 0.585 -15.086 -4.037 1.00 0.00 N ATOM 720 CA GLY A 51 -0.462 -15.813 -3.334 1.00 0.00 C ATOM 721 C GLY A 51 -0.920 -15.053 -2.103 1.00 0.00 C ATOM 722 O GLY A 51 -0.862 -15.581 -0.990 1.00 0.00 O ATOM 0 H GLY A 51 0.339 -14.875 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.308 -15.975 -4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.094 -16.797 -3.042 1.00 0.00 H new ATOM 726 N ARG A 52 -1.278 -13.788 -2.310 1.00 0.00 N ATOM 727 CA ARG A 52 -1.501 -12.833 -1.239 1.00 0.00 C ATOM 728 C ARG A 52 -2.702 -11.974 -1.609 1.00 0.00 C ATOM 729 O ARG A 52 -3.782 -12.201 -1.074 1.00 0.00 O ATOM 730 CB ARG A 52 -0.204 -12.032 -1.021 1.00 0.00 C ATOM 731 CG ARG A 52 0.739 -12.569 0.061 1.00 0.00 C ATOM 732 CD ARG A 52 0.170 -12.399 1.482 1.00 0.00 C ATOM 733 NE ARG A 52 1.228 -12.203 2.496 1.00 0.00 N ATOM 734 CZ ARG A 52 2.268 -13.011 2.739 1.00 0.00 C ATOM 735 NH1 ARG A 52 2.311 -14.234 2.230 1.00 0.00 N ATOM 736 NH2 ARG A 52 3.271 -12.598 3.498 1.00 0.00 N ATOM 0 H ARG A 52 -1.422 -13.397 -3.241 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.735 -13.316 -0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.340 -11.995 -1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.471 -11.006 -0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.934 -13.625 -0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.696 -12.052 -0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.507 -11.545 1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.419 -13.279 1.742 1.00 0.00 H new ATOM 0 HE ARG A 52 1.158 -11.364 3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.546 -14.570 1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.109 -14.839 2.423 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.254 -11.661 3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.061 -13.217 3.680 1.00 0.00 H new ATOM 750 N LEU A 53 -2.542 -10.979 -2.481 1.00 0.00 N ATOM 751 CA LEU A 53 -3.644 -10.103 -2.866 1.00 0.00 C ATOM 752 C LEU A 53 -4.668 -10.857 -3.696 1.00 0.00 C ATOM 753 O LEU A 53 -4.292 -11.586 -4.613 1.00 0.00 O ATOM 754 CB LEU A 53 -3.125 -8.936 -3.714 1.00 0.00 C ATOM 755 CG LEU A 53 -2.497 -7.822 -2.873 1.00 0.00 C ATOM 756 CD1 LEU A 53 -1.776 -6.849 -3.811 1.00 0.00 C ATOM 757 CD2 LEU A 53 -3.562 -7.064 -2.085 1.00 0.00 C ATOM 0 H LEU A 53 -1.655 -10.760 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.104 -9.735 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.386 -9.309 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.948 -8.524 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.797 -8.265 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.323 -6.048 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.000 -7.381 -4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.492 -6.424 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.089 -6.278 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.278 -6.618 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.081 -7.753 -1.419 1.00 0.00 H new ATOM 769 N HIS A 54 -5.946 -10.553 -3.477 1.00 0.00 N ATOM 770 CA HIS A 54 -7.022 -10.829 -4.422 1.00 0.00 C ATOM 771 C HIS A 54 -7.685 -9.506 -4.823 1.00 0.00 C ATOM 772 O HIS A 54 -7.607 -8.503 -4.108 1.00 0.00 O ATOM 773 CB HIS A 54 -8.016 -11.850 -3.840 1.00 0.00 C ATOM 774 CG HIS A 54 -7.671 -13.309 -4.051 1.00 0.00 C ATOM 775 ND1 HIS A 54 -8.456 -14.368 -3.647 1.00 0.00 N ATOM 776 CD2 HIS A 54 -6.619 -13.833 -4.759 1.00 0.00 C ATOM 777 CE1 HIS A 54 -7.894 -15.503 -4.096 1.00 0.00 C ATOM 778 NE2 HIS A 54 -6.768 -15.225 -4.776 1.00 0.00 N ATOM 0 H HIS A 54 -6.267 -10.100 -2.621 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.620 -11.288 -5.325 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.105 -11.670 -2.769 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -8.997 -11.662 -4.278 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -5.820 -13.272 -5.220 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.290 -16.495 -3.934 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -6.143 -15.898 -5.219 1.00 0.00 H new ATOM 786 N PRO A 55 -8.296 -9.456 -6.015 1.00 0.00 N ATOM 787 CA PRO A 55 -8.904 -8.235 -6.514 1.00 0.00 C ATOM 788 C PRO A 55 -10.197 -7.944 -5.753 1.00 0.00 C ATOM 789 O PRO A 55 -10.957 -8.855 -5.415 1.00 0.00 O ATOM 790 CB PRO A 55 -9.102 -8.469 -8.010 1.00 0.00 C ATOM 791 CG PRO A 55 -9.173 -9.985 -8.151 1.00 0.00 C ATOM 792 CD PRO A 55 -8.351 -10.529 -7.001 1.00 0.00 C ATOM 0 HA PRO A 55 -8.289 -7.348 -6.362 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.015 -7.993 -8.369 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.277 -8.054 -8.590 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.203 -10.337 -8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.772 -10.311 -9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.809 -11.424 -6.581 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.351 -10.809 -7.332 1.00 0.00 H new ATOM 800 N GLY A 56 -10.465 -6.668 -5.491 1.00 0.00 N ATOM 801 CA GLY A 56 -11.593 -6.219 -4.689 1.00 0.00 C ATOM 802 C GLY A 56 -11.364 -6.353 -3.187 1.00 0.00 C ATOM 803 O GLY A 56 -12.305 -6.149 -2.420 1.00 0.00 O ATOM 0 H GLY A 56 -9.889 -5.902 -5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.804 -5.176 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.477 -6.793 -4.966 1.00 0.00 H new ATOM 807 N ASP A 57 -10.156 -6.704 -2.747 1.00 0.00 N ATOM 808 CA ASP A 57 -9.780 -6.631 -1.339 1.00 0.00 C ATOM 809 C ASP A 57 -9.649 -5.150 -0.985 1.00 0.00 C ATOM 810 O ASP A 57 -9.196 -4.364 -1.811 1.00 0.00 O ATOM 811 CB ASP A 57 -8.458 -7.380 -1.089 1.00 0.00 C ATOM 812 CG ASP A 57 -8.561 -8.898 -1.281 1.00 0.00 C ATOM 813 OD1 ASP A 57 -9.669 -9.412 -1.562 1.00 0.00 O ATOM 814 OD2 ASP A 57 -7.545 -9.593 -1.040 1.00 0.00 O ATOM 0 H ASP A 57 -9.413 -7.046 -3.357 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.534 -7.106 -0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.696 -6.989 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.121 -7.174 -0.073 1.00 0.00 H new ATOM 819 N GLU A 58 -10.077 -4.727 0.199 1.00 0.00 N ATOM 820 CA GLU A 58 -10.032 -3.330 0.614 1.00 0.00 C ATOM 821 C GLU A 58 -8.704 -3.052 1.318 1.00 0.00 C ATOM 822 O GLU A 58 -8.343 -3.800 2.220 1.00 0.00 O ATOM 823 CB GLU A 58 -11.196 -3.096 1.574 1.00 0.00 C ATOM 824 CG GLU A 58 -11.597 -1.605 1.682 1.00 0.00 C ATOM 825 CD GLU A 58 -11.561 -0.994 3.092 1.00 0.00 C ATOM 826 OE1 GLU A 58 -11.493 -1.727 4.099 1.00 0.00 O ATOM 827 OE2 GLU A 58 -11.641 0.259 3.178 1.00 0.00 O ATOM 0 H GLU A 58 -10.469 -5.351 0.905 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.113 -2.665 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.057 -3.675 1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.925 -3.467 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.935 -1.025 1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.606 -1.492 1.285 1.00 0.00 H new ATOM 834 N LEU A 59 -7.974 -2.015 0.917 1.00 0.00 N ATOM 835 CA LEU A 59 -6.729 -1.544 1.523 1.00 0.00 C ATOM 836 C LEU A 59 -7.010 -0.714 2.766 1.00 0.00 C ATOM 837 O LEU A 59 -8.038 -0.045 2.874 1.00 0.00 O ATOM 838 CB LEU A 59 -5.915 -0.676 0.541 1.00 0.00 C ATOM 839 CG LEU A 59 -4.966 -1.496 -0.341 1.00 0.00 C ATOM 840 CD1 LEU A 59 -4.321 -0.604 -1.400 1.00 0.00 C ATOM 841 CD2 LEU A 59 -3.802 -2.115 0.443 1.00 0.00 C ATOM 0 H LEU A 59 -8.250 -1.448 0.115 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.155 -2.432 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.601 -0.117 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.336 0.055 1.105 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.584 -2.283 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.650 -1.200 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.097 -0.164 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.755 0.190 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.167 -2.683 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.217 -1.323 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.194 -2.780 1.213 1.00 0.00 H new ATOM 853 N VAL A 60 -6.031 -0.709 3.665 1.00 0.00 N ATOM 854 CA VAL A 60 -6.021 0.036 4.914 1.00 0.00 C ATOM 855 C VAL A 60 -4.669 0.737 5.081 1.00 0.00 C ATOM 856 O VAL A 60 -4.648 1.884 5.531 1.00 0.00 O ATOM 857 CB VAL A 60 -6.324 -0.893 6.111 1.00 0.00 C ATOM 858 CG1 VAL A 60 -6.829 -0.079 7.310 1.00 0.00 C ATOM 859 CG2 VAL A 60 -7.358 -1.982 5.812 1.00 0.00 C ATOM 0 H VAL A 60 -5.179 -1.254 3.532 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.805 0.793 4.885 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.377 -1.386 6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.037 -0.750 8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.068 0.643 7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.741 0.449 7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.514 -2.590 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.300 -1.519 5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.997 -2.613 5.000 1.00 0.00 H new ATOM 869 N TYR A 61 -3.560 0.106 4.670 1.00 0.00 N ATOM 870 CA TYR A 61 -2.219 0.681 4.736 1.00 0.00 C ATOM 871 C TYR A 61 -1.452 0.389 3.451 1.00 0.00 C ATOM 872 O TYR A 61 -1.679 -0.643 2.816 1.00 0.00 O ATOM 873 CB TYR A 61 -1.427 0.111 5.922 1.00 0.00 C ATOM 874 CG TYR A 61 -1.955 0.462 7.293 1.00 0.00 C ATOM 875 CD1 TYR A 61 -3.050 -0.229 7.834 1.00 0.00 C ATOM 876 CD2 TYR A 61 -1.357 1.502 8.023 1.00 0.00 C ATOM 877 CE1 TYR A 61 -3.573 0.140 9.080 1.00 0.00 C ATOM 878 CE2 TYR A 61 -1.866 1.875 9.278 1.00 0.00 C ATOM 879 CZ TYR A 61 -2.987 1.195 9.808 1.00 0.00 C ATOM 880 OH TYR A 61 -3.556 1.582 10.980 1.00 0.00 O ATOM 0 H TYR A 61 -3.576 -0.835 4.276 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.332 1.757 4.866 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.402 -0.975 5.830 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.397 0.461 5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.492 -1.049 7.287 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.500 2.019 7.617 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.426 -0.385 9.483 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.404 2.677 9.835 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.039 2.319 11.367 1.00 0.00 H new ATOM 890 N VAL A 62 -0.513 1.272 3.110 1.00 0.00 N ATOM 891 CA VAL A 62 0.386 1.201 1.960 1.00 0.00 C ATOM 892 C VAL A 62 1.701 1.852 2.382 1.00 0.00 C ATOM 893 O VAL A 62 1.665 2.922 2.981 1.00 0.00 O ATOM 894 CB VAL A 62 -0.230 1.959 0.762 1.00 0.00 C ATOM 895 CG1 VAL A 62 0.769 2.098 -0.403 1.00 0.00 C ATOM 896 CG2 VAL A 62 -1.501 1.256 0.258 1.00 0.00 C ATOM 0 H VAL A 62 -0.350 2.111 3.667 1.00 0.00 H new ATOM 0 HA VAL A 62 0.549 0.168 1.652 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.486 2.956 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.297 2.636 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.647 2.648 -0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.070 1.108 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.914 1.810 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.255 0.243 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.237 1.216 1.061 1.00 0.00 H new ATOM 906 N ASP A 63 2.850 1.236 2.080 1.00 0.00 N ATOM 907 CA ASP A 63 4.192 1.653 2.545 1.00 0.00 C ATOM 908 C ASP A 63 4.266 1.662 4.088 1.00 0.00 C ATOM 909 O ASP A 63 5.140 2.268 4.705 1.00 0.00 O ATOM 910 CB ASP A 63 4.607 2.988 1.882 1.00 0.00 C ATOM 911 CG ASP A 63 6.107 3.168 1.590 1.00 0.00 C ATOM 912 OD1 ASP A 63 6.854 2.170 1.476 1.00 0.00 O ATOM 913 OD2 ASP A 63 6.516 4.327 1.328 1.00 0.00 O ATOM 0 H ASP A 63 2.880 0.407 1.487 1.00 0.00 H new ATOM 0 HA ASP A 63 4.931 0.919 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.062 3.088 0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.284 3.805 2.527 1.00 0.00 H new ATOM 918 N GLY A 64 3.306 0.986 4.736 1.00 0.00 N ATOM 919 CA GLY A 64 3.068 0.973 6.174 1.00 0.00 C ATOM 920 C GLY A 64 2.288 2.189 6.690 1.00 0.00 C ATOM 921 O GLY A 64 2.053 2.272 7.897 1.00 0.00 O ATOM 0 H GLY A 64 2.639 0.401 4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.520 0.067 6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.027 0.924 6.690 1.00 0.00 H new ATOM 925 N ILE A 65 1.886 3.121 5.825 1.00 0.00 N ATOM 926 CA ILE A 65 1.155 4.350 6.131 1.00 0.00 C ATOM 927 C ILE A 65 -0.335 4.076 5.939 1.00 0.00 C ATOM 928 O ILE A 65 -0.706 3.454 4.945 1.00 0.00 O ATOM 929 CB ILE A 65 1.584 5.458 5.150 1.00 0.00 C ATOM 930 CG1 ILE A 65 3.061 5.413 4.738 1.00 0.00 C ATOM 931 CG2 ILE A 65 1.229 6.852 5.691 1.00 0.00 C ATOM 932 CD1 ILE A 65 4.154 5.440 5.803 1.00 0.00 C ATOM 0 H ILE A 65 2.075 3.031 4.827 1.00 0.00 H new ATOM 0 HA ILE A 65 1.363 4.666 7.153 1.00 0.00 H new ATOM 0 HB ILE A 65 1.013 5.258 4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.205 4.507 4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.237 6.258 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.545 7.611 4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.152 6.921 5.841 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.739 7.014 6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.131 5.401 5.322 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.072 6.358 6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.040 4.580 6.463 1.00 0.00 H new ATOM 944 N PRO A 66 -1.209 4.521 6.849 1.00 0.00 N ATOM 945 CA PRO A 66 -2.635 4.281 6.738 1.00 0.00 C ATOM 946 C PRO A 66 -3.209 5.176 5.653 1.00 0.00 C ATOM 947 O PRO A 66 -2.832 6.349 5.526 1.00 0.00 O ATOM 948 CB PRO A 66 -3.243 4.620 8.095 1.00 0.00 C ATOM 949 CG PRO A 66 -2.182 5.483 8.769 1.00 0.00 C ATOM 950 CD PRO A 66 -0.877 5.259 8.041 1.00 0.00 C ATOM 0 HA PRO A 66 -2.854 3.247 6.471 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.185 5.157 7.987 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.453 3.721 8.674 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.465 6.535 8.732 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.084 5.216 9.821 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.401 6.208 7.793 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.175 4.703 8.662 1.00 0.00 H new ATOM 958 N VAL A 67 -4.207 4.665 4.944 1.00 0.00 N ATOM 959 CA VAL A 67 -4.830 5.366 3.824 1.00 0.00 C ATOM 960 C VAL A 67 -6.298 5.695 4.088 1.00 0.00 C ATOM 961 O VAL A 67 -6.973 6.275 3.238 1.00 0.00 O ATOM 962 CB VAL A 67 -4.560 4.584 2.513 1.00 0.00 C ATOM 963 CG1 VAL A 67 -3.053 4.251 2.360 1.00 0.00 C ATOM 964 CG2 VAL A 67 -5.364 3.273 2.403 1.00 0.00 C ATOM 0 H VAL A 67 -4.611 3.747 5.129 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.370 6.347 3.704 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.887 5.248 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.894 3.702 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.476 5.176 2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.728 3.640 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.126 2.778 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.105 2.617 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.430 3.496 2.436 1.00 0.00 H new ATOM 974 N ALA A 68 -6.796 5.360 5.280 1.00 0.00 N ATOM 975 CA ALA A 68 -8.225 5.340 5.546 1.00 0.00 C ATOM 976 C ALA A 68 -8.773 6.772 5.611 1.00 0.00 C ATOM 977 O ALA A 68 -8.574 7.483 6.601 1.00 0.00 O ATOM 978 CB ALA A 68 -8.471 4.534 6.819 1.00 0.00 C ATOM 0 H ALA A 68 -6.220 5.097 6.080 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.768 4.851 4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.539 4.509 7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.105 3.517 6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.945 5.000 7.652 1.00 0.00 H new ATOM 984 N GLY A 69 -9.433 7.233 4.547 1.00 0.00 N ATOM 985 CA GLY A 69 -9.993 8.581 4.438 1.00 0.00 C ATOM 986 C GLY A 69 -9.156 9.526 3.580 1.00 0.00 C ATOM 987 O GLY A 69 -9.547 10.672 3.355 1.00 0.00 O ATOM 0 H GLY A 69 -9.597 6.665 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.996 8.515 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.094 9.005 5.437 1.00 0.00 H new ATOM 991 N LYS A 70 -7.998 9.087 3.091 1.00 0.00 N ATOM 992 CA LYS A 70 -7.374 9.695 1.930 1.00 0.00 C ATOM 993 C LYS A 70 -8.082 9.175 0.689 1.00 0.00 C ATOM 994 O LYS A 70 -9.030 8.391 0.785 1.00 0.00 O ATOM 995 CB LYS A 70 -5.863 9.409 1.951 1.00 0.00 C ATOM 996 CG LYS A 70 -5.236 9.819 3.296 1.00 0.00 C ATOM 997 CD LYS A 70 -5.668 11.226 3.739 1.00 0.00 C ATOM 998 CE LYS A 70 -4.753 11.832 4.803 1.00 0.00 C ATOM 999 NZ LYS A 70 -5.195 13.185 5.202 1.00 0.00 N ATOM 0 H LYS A 70 -7.474 8.307 3.488 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.474 10.780 1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.689 8.348 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.377 9.951 1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.520 9.097 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.150 9.785 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.688 11.883 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.685 11.181 4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.734 11.183 5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.733 11.881 4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.549 13.562 5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.189 13.811 4.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.158 13.135 5.591 1.00 0.00 H new ATOM 1013 N THR A 71 -7.637 9.630 -0.470 1.00 0.00 N ATOM 1014 CA THR A 71 -8.244 9.254 -1.737 1.00 0.00 C ATOM 1015 C THR A 71 -7.283 8.385 -2.545 1.00 0.00 C ATOM 1016 O THR A 71 -6.122 8.201 -2.170 1.00 0.00 O ATOM 1017 CB THR A 71 -8.731 10.501 -2.495 1.00 0.00 C ATOM 1018 OG1 THR A 71 -7.658 11.312 -2.926 1.00 0.00 O ATOM 1019 CG2 THR A 71 -9.681 11.359 -1.656 1.00 0.00 C ATOM 0 H THR A 71 -6.847 10.269 -0.560 1.00 0.00 H new ATOM 0 HA THR A 71 -9.131 8.647 -1.554 1.00 0.00 H new ATOM 0 HB THR A 71 -9.268 10.119 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.009 12.092 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.996 12.226 -2.236 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.556 10.770 -1.380 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.169 11.693 -0.753 1.00 0.00 H new ATOM 1027 N HIS A 72 -7.766 7.900 -3.690 1.00 0.00 N ATOM 1028 CA HIS A 72 -7.016 7.213 -4.725 1.00 0.00 C ATOM 1029 C HIS A 72 -5.668 7.899 -4.928 1.00 0.00 C ATOM 1030 O HIS A 72 -4.637 7.308 -4.622 1.00 0.00 O ATOM 1031 CB HIS A 72 -7.885 7.162 -5.990 1.00 0.00 C ATOM 1032 CG HIS A 72 -7.173 6.682 -7.230 1.00 0.00 C ATOM 1033 ND1 HIS A 72 -6.857 5.380 -7.548 1.00 0.00 N ATOM 1034 CD2 HIS A 72 -6.710 7.479 -8.239 1.00 0.00 C ATOM 1035 CE1 HIS A 72 -6.217 5.396 -8.733 1.00 0.00 C ATOM 1036 NE2 HIS A 72 -6.123 6.653 -9.200 1.00 0.00 N ATOM 0 H HIS A 72 -8.754 7.986 -3.927 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.786 6.185 -4.444 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.737 6.509 -5.802 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.283 8.159 -6.180 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.785 8.555 -8.285 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.833 4.522 -9.237 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.705 6.946 -10.083 1.00 0.00 H new ATOM 1044 N ARG A 73 -5.657 9.157 -5.382 1.00 0.00 N ATOM 1045 CA ARG A 73 -4.431 9.873 -5.728 1.00 0.00 C ATOM 1046 C ARG A 73 -3.432 9.910 -4.580 1.00 0.00 C ATOM 1047 O ARG A 73 -2.230 9.820 -4.833 1.00 0.00 O ATOM 1048 CB ARG A 73 -4.762 11.338 -6.066 1.00 0.00 C ATOM 1049 CG ARG A 73 -5.565 11.576 -7.343 1.00 0.00 C ATOM 1050 CD ARG A 73 -4.703 11.365 -8.587 1.00 0.00 C ATOM 1051 NE ARG A 73 -5.389 11.892 -9.773 1.00 0.00 N ATOM 1052 CZ ARG A 73 -4.814 12.423 -10.854 1.00 0.00 C ATOM 1053 NH1 ARG A 73 -3.492 12.448 -10.977 1.00 0.00 N ATOM 1054 NH2 ARG A 73 -5.563 12.928 -11.822 1.00 0.00 N ATOM 0 H ARG A 73 -6.505 9.707 -5.519 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.995 9.340 -6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.316 11.765 -5.230 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.826 11.891 -6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.419 10.899 -7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.963 12.591 -7.341 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.742 11.864 -8.462 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.496 10.303 -8.719 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.408 11.848 -9.771 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.904 12.058 -10.240 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.065 12.857 -11.808 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.580 12.911 -11.742 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.123 13.334 -12.648 1.00 0.00 H new ATOM 1068 N TYR A 74 -3.895 10.076 -3.340 1.00 0.00 N ATOM 1069 CA TYR A 74 -3.036 10.066 -2.162 1.00 0.00 C ATOM 1070 C TYR A 74 -2.229 8.773 -2.132 1.00 0.00 C ATOM 1071 O TYR A 74 -1.013 8.793 -1.941 1.00 0.00 O ATOM 1072 CB TYR A 74 -3.868 10.249 -0.908 1.00 0.00 C ATOM 1073 CG TYR A 74 -3.051 10.594 0.322 1.00 0.00 C ATOM 1074 CD1 TYR A 74 -2.224 9.617 0.896 1.00 0.00 C ATOM 1075 CD2 TYR A 74 -3.225 11.823 0.981 1.00 0.00 C ATOM 1076 CE1 TYR A 74 -1.647 9.806 2.159 1.00 0.00 C ATOM 1077 CE2 TYR A 74 -2.606 12.050 2.220 1.00 0.00 C ATOM 1078 CZ TYR A 74 -1.818 11.043 2.822 1.00 0.00 C ATOM 1079 OH TYR A 74 -1.314 11.248 4.069 1.00 0.00 O ATOM 0 H TYR A 74 -4.882 10.222 -3.127 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.333 10.898 -2.207 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.600 11.038 -1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.427 9.333 -0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.029 8.703 0.355 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.836 12.593 0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.077 9.014 2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.733 13.001 2.717 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.529 12.158 4.363 1.00 0.00 H new ATOM 1089 N VAL A 75 -2.903 7.641 -2.331 1.00 0.00 N ATOM 1090 CA VAL A 75 -2.248 6.352 -2.330 1.00 0.00 C ATOM 1091 C VAL A 75 -1.349 6.252 -3.538 1.00 0.00 C ATOM 1092 O VAL A 75 -0.236 5.789 -3.370 1.00 0.00 O ATOM 1093 CB VAL A 75 -3.246 5.191 -2.267 1.00 0.00 C ATOM 1094 CG1 VAL A 75 -2.451 3.878 -2.216 1.00 0.00 C ATOM 1095 CG2 VAL A 75 -4.117 5.339 -1.016 1.00 0.00 C ATOM 0 H VAL A 75 -3.909 7.600 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.643 6.272 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.896 5.192 -3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.142 3.036 -2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.832 3.792 -3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.814 3.873 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.828 4.514 -0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.484 5.324 -0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.659 6.284 -1.060 1.00 0.00 H new ATOM 1105 N ILE A 76 -1.774 6.660 -4.733 1.00 0.00 N ATOM 1106 CA ILE A 76 -0.932 6.501 -5.910 1.00 0.00 C ATOM 1107 C ILE A 76 0.413 7.210 -5.687 1.00 0.00 C ATOM 1108 O ILE A 76 1.437 6.644 -6.052 1.00 0.00 O ATOM 1109 CB ILE A 76 -1.681 7.018 -7.162 1.00 0.00 C ATOM 1110 CG1 ILE A 76 -3.044 6.344 -7.409 1.00 0.00 C ATOM 1111 CG2 ILE A 76 -0.857 6.883 -8.451 1.00 0.00 C ATOM 1112 CD1 ILE A 76 -3.022 4.835 -7.610 1.00 0.00 C ATOM 0 H ILE A 76 -2.680 7.095 -4.907 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.714 5.446 -6.079 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.847 8.070 -6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.695 6.567 -6.564 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.497 6.800 -8.289 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.435 7.262 -9.294 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.064 7.457 -8.356 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.615 5.834 -8.620 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.038 4.475 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.406 4.592 -8.476 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.607 4.356 -6.723 1.00 0.00 H new ATOM 1124 N ASP A 77 0.431 8.372 -5.021 1.00 0.00 N ATOM 1125 CA ASP A 77 1.658 9.044 -4.572 1.00 0.00 C ATOM 1126 C ASP A 77 2.459 8.145 -3.630 1.00 0.00 C ATOM 1127 O ASP A 77 3.627 7.874 -3.892 1.00 0.00 O ATOM 1128 CB ASP A 77 1.323 10.372 -3.862 1.00 0.00 C ATOM 1129 CG ASP A 77 1.768 11.598 -4.657 1.00 0.00 C ATOM 1130 OD1 ASP A 77 2.980 11.855 -4.806 1.00 0.00 O ATOM 1131 OD2 ASP A 77 0.874 12.335 -5.143 1.00 0.00 O ATOM 0 H ASP A 77 -0.419 8.879 -4.775 1.00 0.00 H new ATOM 0 HA ASP A 77 2.263 9.255 -5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.248 10.426 -3.691 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.802 10.386 -2.883 1.00 0.00 H new ATOM 1136 N LEU A 78 1.839 7.648 -2.550 1.00 0.00 N ATOM 1137 CA LEU A 78 2.513 6.820 -1.546 1.00 0.00 C ATOM 1138 C LEU A 78 3.044 5.517 -2.137 1.00 0.00 C ATOM 1139 O LEU A 78 4.075 5.007 -1.718 1.00 0.00 O ATOM 1140 CB LEU A 78 1.546 6.458 -0.406 1.00 0.00 C ATOM 1141 CG LEU A 78 1.364 7.517 0.694 1.00 0.00 C ATOM 1142 CD1 LEU A 78 0.501 6.880 1.790 1.00 0.00 C ATOM 1143 CD2 LEU A 78 2.684 7.994 1.311 1.00 0.00 C ATOM 0 H LEU A 78 0.852 7.811 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 78 3.349 7.412 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.569 6.244 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.896 5.537 0.060 1.00 0.00 H new ATOM 0 HG LEU A 78 0.901 8.397 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.346 7.599 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.463 6.590 1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.006 5.998 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.478 8.740 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.204 7.147 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.310 8.435 0.535 1.00 0.00 H new ATOM 1155 N MET A 79 2.335 4.942 -3.092 1.00 0.00 N ATOM 1156 CA MET A 79 2.589 3.641 -3.647 1.00 0.00 C ATOM 1157 C MET A 79 3.625 3.761 -4.774 1.00 0.00 C ATOM 1158 O MET A 79 4.458 2.869 -4.938 1.00 0.00 O ATOM 1159 CB MET A 79 1.224 3.042 -3.969 1.00 0.00 C ATOM 1160 CG MET A 79 0.800 3.038 -5.413 1.00 0.00 C ATOM 1161 SD MET A 79 1.614 1.828 -6.501 1.00 0.00 S ATOM 1162 CE MET A 79 1.593 0.373 -5.407 1.00 0.00 C ATOM 0 H MET A 79 1.528 5.399 -3.517 1.00 0.00 H new ATOM 0 HA MET A 79 3.067 2.930 -2.974 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.213 2.013 -3.611 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.472 3.586 -3.397 1.00 0.00 H new ATOM 0 HG2 MET A 79 -0.275 2.861 -5.451 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.974 4.034 -5.821 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.627 -0.535 -6.009 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.459 0.402 -4.746 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.681 0.379 -4.811 1.00 0.00 H new ATOM 1172 N HIS A 80 3.657 4.901 -5.478 1.00 0.00 N ATOM 1173 CA HIS A 80 4.789 5.333 -6.284 1.00 0.00 C ATOM 1174 C HIS A 80 6.014 5.615 -5.416 1.00 0.00 C ATOM 1175 O HIS A 80 7.132 5.437 -5.896 1.00 0.00 O ATOM 1176 CB HIS A 80 4.418 6.606 -7.060 1.00 0.00 C ATOM 1177 CG HIS A 80 3.802 6.369 -8.418 1.00 0.00 C ATOM 1178 ND1 HIS A 80 4.147 5.382 -9.319 1.00 0.00 N ATOM 1179 CD2 HIS A 80 2.929 7.216 -9.046 1.00 0.00 C ATOM 1180 CE1 HIS A 80 3.483 5.623 -10.461 1.00 0.00 C ATOM 1181 NE2 HIS A 80 2.750 6.740 -10.350 1.00 0.00 N ATOM 0 H HIS A 80 2.876 5.557 -5.498 1.00 0.00 H new ATOM 0 HA HIS A 80 5.033 4.528 -6.977 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.721 7.190 -6.459 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.316 7.211 -7.186 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.464 8.090 -8.615 1.00 0.00 H new ATOM 0 HE1 HIS A 80 3.532 5.004 -11.345 1.00 0.00 H new ATOM 0 HE2 HIS A 80 2.172 7.162 -11.077 1.00 0.00 H new ATOM 1189 N HIS A 81 5.830 6.056 -4.173 1.00 0.00 N ATOM 1190 CA HIS A 81 6.908 6.232 -3.217 1.00 0.00 C ATOM 1191 C HIS A 81 7.482 4.868 -2.852 1.00 0.00 C ATOM 1192 O HIS A 81 8.686 4.651 -2.983 1.00 0.00 O ATOM 1193 CB HIS A 81 6.395 6.972 -1.973 1.00 0.00 C ATOM 1194 CG HIS A 81 7.271 8.110 -1.574 1.00 0.00 C ATOM 1195 ND1 HIS A 81 8.361 8.030 -0.743 1.00 0.00 N ATOM 1196 CD2 HIS A 81 7.082 9.417 -1.924 1.00 0.00 C ATOM 1197 CE1 HIS A 81 8.842 9.273 -0.608 1.00 0.00 C ATOM 1198 NE2 HIS A 81 8.100 10.151 -1.311 1.00 0.00 N ATOM 0 H HIS A 81 4.913 6.303 -3.802 1.00 0.00 H new ATOM 0 HA HIS A 81 7.700 6.836 -3.659 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.389 7.345 -2.167 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.320 6.269 -1.143 1.00 0.00 H new ATOM 0 HD2 HIS A 81 6.296 9.808 -2.554 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.707 9.536 -0.016 1.00 0.00 H new ATOM 0 HE2 HIS A 81 8.252 11.157 -1.382 1.00 0.00 H new ATOM 1206 N ALA A 82 6.613 3.930 -2.471 1.00 0.00 N ATOM 1207 CA ALA A 82 6.974 2.569 -2.126 1.00 0.00 C ATOM 1208 C ALA A 82 7.672 1.865 -3.290 1.00 0.00 C ATOM 1209 O ALA A 82 8.628 1.122 -3.086 1.00 0.00 O ATOM 1210 CB ALA A 82 5.732 1.797 -1.706 1.00 0.00 C ATOM 0 H ALA A 82 5.612 4.109 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 82 7.676 2.602 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.009 0.775 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.279 2.280 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.017 1.782 -2.529 1.00 0.00 H new ATOM 1216 N ALA A 83 7.271 2.129 -4.538 1.00 0.00 N ATOM 1217 CA ALA A 83 7.966 1.664 -5.740 1.00 0.00 C ATOM 1218 C ALA A 83 9.447 2.063 -5.752 1.00 0.00 C ATOM 1219 O ALA A 83 10.261 1.383 -6.379 1.00 0.00 O ATOM 1220 CB ALA A 83 7.247 2.162 -6.993 1.00 0.00 C ATOM 0 H ALA A 83 6.439 2.682 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 83 7.941 0.574 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.774 1.809 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.226 1.781 -7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.227 3.252 -6.992 1.00 0.00 H new ATOM 1226 N ARG A 84 9.845 3.108 -5.026 1.00 0.00 N ATOM 1227 CA ARG A 84 11.244 3.489 -4.880 1.00 0.00 C ATOM 1228 C ARG A 84 11.872 2.885 -3.624 1.00 0.00 C ATOM 1229 O ARG A 84 13.087 2.710 -3.636 1.00 0.00 O ATOM 1230 CB ARG A 84 11.391 5.017 -4.907 1.00 0.00 C ATOM 1231 CG ARG A 84 10.563 5.669 -6.032 1.00 0.00 C ATOM 1232 CD ARG A 84 11.211 6.924 -6.625 1.00 0.00 C ATOM 1233 NE ARG A 84 10.578 7.293 -7.909 1.00 0.00 N ATOM 1234 CZ ARG A 84 10.848 6.767 -9.114 1.00 0.00 C ATOM 1235 NH1 ARG A 84 11.767 5.815 -9.249 1.00 0.00 N ATOM 1236 NH2 ARG A 84 10.204 7.179 -10.202 1.00 0.00 N ATOM 0 H ARG A 84 9.200 3.715 -4.521 1.00 0.00 H new ATOM 0 HA ARG A 84 11.791 3.080 -5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.078 5.426 -3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.442 5.276 -5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.409 4.940 -6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.578 5.928 -5.643 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.121 7.751 -5.921 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.276 6.750 -6.778 1.00 0.00 H new ATOM 0 HE ARG A 84 9.864 8.021 -7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.275 5.477 -8.432 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.964 5.423 -10.170 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.492 7.906 -10.129 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.422 6.768 -11.110 1.00 0.00 H new ATOM 1250 N ASN A 85 11.096 2.490 -2.606 1.00 0.00 N ATOM 1251 CA ASN A 85 11.627 1.790 -1.432 1.00 0.00 C ATOM 1252 C ASN A 85 12.252 0.455 -1.836 1.00 0.00 C ATOM 1253 O ASN A 85 13.245 0.040 -1.251 1.00 0.00 O ATOM 1254 CB ASN A 85 10.557 1.553 -0.335 1.00 0.00 C ATOM 1255 CG ASN A 85 10.663 2.522 0.839 1.00 0.00 C ATOM 1256 OD1 ASN A 85 11.742 2.993 1.183 1.00 0.00 O ATOM 1257 ND2 ASN A 85 9.563 2.865 1.488 1.00 0.00 N ATOM 0 H ASN A 85 10.089 2.646 -2.574 1.00 0.00 H new ATOM 0 HA ASN A 85 12.391 2.442 -1.008 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.566 1.641 -0.780 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.649 0.533 0.037 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.615 3.518 2.270 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.663 2.477 1.207 1.00 0.00 H new ATOM 1264 N GLY A 86 11.683 -0.239 -2.824 1.00 0.00 N ATOM 1265 CA GLY A 86 12.142 -1.564 -3.252 1.00 0.00 C ATOM 1266 C GLY A 86 11.251 -2.697 -2.729 1.00 0.00 C ATOM 1267 O GLY A 86 11.471 -3.869 -3.038 1.00 0.00 O ATOM 0 H GLY A 86 10.883 0.105 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.167 -1.601 -4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.163 -1.720 -2.904 1.00 0.00 H new ATOM 1271 N GLN A 87 10.213 -2.361 -1.964 1.00 0.00 N ATOM 1272 CA GLN A 87 9.090 -3.207 -1.603 1.00 0.00 C ATOM 1273 C GLN A 87 7.897 -2.277 -1.369 1.00 0.00 C ATOM 1274 O GLN A 87 8.074 -1.062 -1.259 1.00 0.00 O ATOM 1275 CB GLN A 87 9.415 -4.064 -0.355 1.00 0.00 C ATOM 1276 CG GLN A 87 10.119 -3.336 0.812 1.00 0.00 C ATOM 1277 CD GLN A 87 11.611 -3.105 0.549 1.00 0.00 C ATOM 1278 OE1 GLN A 87 12.357 -4.026 0.225 1.00 0.00 O ATOM 1279 NE2 GLN A 87 12.100 -1.887 0.668 1.00 0.00 N ATOM 0 H GLN A 87 10.135 -1.429 -1.557 1.00 0.00 H new ATOM 0 HA GLN A 87 8.862 -3.919 -2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.484 -4.490 0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.044 -4.898 -0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 87 9.631 -2.376 0.984 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.001 -3.921 1.724 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.489 -1.116 0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.090 -1.715 0.492 1.00 0.00 H new ATOM 1288 N VAL A 88 6.692 -2.834 -1.268 1.00 0.00 N ATOM 1289 CA VAL A 88 5.551 -2.150 -0.691 1.00 0.00 C ATOM 1290 C VAL A 88 4.913 -3.115 0.295 1.00 0.00 C ATOM 1291 O VAL A 88 4.506 -4.229 -0.049 1.00 0.00 O ATOM 1292 CB VAL A 88 4.583 -1.602 -1.764 1.00 0.00 C ATOM 1293 CG1 VAL A 88 3.867 -2.674 -2.597 1.00 0.00 C ATOM 1294 CG2 VAL A 88 3.537 -0.687 -1.110 1.00 0.00 C ATOM 0 H VAL A 88 6.485 -3.780 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 88 5.861 -1.250 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 88 5.213 -1.050 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.210 -2.193 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.605 -3.280 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.276 -3.311 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.859 -0.305 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.970 -1.253 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.039 0.148 -0.621 1.00 0.00 H new ATOM 1304 N ASN A 89 4.824 -2.676 1.540 1.00 0.00 N ATOM 1305 CA ASN A 89 3.973 -3.288 2.534 1.00 0.00 C ATOM 1306 C ASN A 89 2.550 -2.758 2.288 1.00 0.00 C ATOM 1307 O ASN A 89 2.364 -1.548 2.131 1.00 0.00 O ATOM 1308 CB ASN A 89 4.516 -2.882 3.914 1.00 0.00 C ATOM 1309 CG ASN A 89 3.859 -3.694 5.006 1.00 0.00 C ATOM 1310 OD1 ASN A 89 2.641 -3.706 5.111 1.00 0.00 O ATOM 1311 ND2 ASN A 89 4.630 -4.422 5.792 1.00 0.00 N ATOM 0 H ASN A 89 5.350 -1.874 1.888 1.00 0.00 H new ATOM 0 HA ASN A 89 3.955 -4.377 2.482 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.596 -3.030 3.943 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.335 -1.821 4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.212 -5.014 6.510 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.644 -4.392 5.682 1.00 0.00 H new ATOM 1318 N LEU A 90 1.559 -3.646 2.170 1.00 0.00 N ATOM 1319 CA LEU A 90 0.157 -3.338 1.874 1.00 0.00 C ATOM 1320 C LEU A 90 -0.659 -4.099 2.918 1.00 0.00 C ATOM 1321 O LEU A 90 -0.447 -5.305 3.069 1.00 0.00 O ATOM 1322 CB LEU A 90 -0.239 -3.831 0.460 1.00 0.00 C ATOM 1323 CG LEU A 90 0.622 -3.365 -0.728 1.00 0.00 C ATOM 1324 CD1 LEU A 90 0.412 -4.325 -1.900 1.00 0.00 C ATOM 1325 CD2 LEU A 90 0.299 -1.926 -1.141 1.00 0.00 C ATOM 0 H LEU A 90 1.720 -4.647 2.284 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.018 -2.263 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.233 -4.921 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.267 -3.520 0.272 1.00 0.00 H new ATOM 0 HG LEU A 90 1.668 -3.376 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.018 -4.003 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.708 -5.331 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.640 -4.326 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.930 -1.639 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.749 -1.858 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.486 -1.256 -0.302 1.00 0.00 H new ATOM 1337 N THR A 91 -1.578 -3.466 3.639 1.00 0.00 N ATOM 1338 CA THR A 91 -2.484 -4.142 4.572 1.00 0.00 C ATOM 1339 C THR A 91 -3.885 -4.033 3.980 1.00 0.00 C ATOM 1340 O THR A 91 -4.339 -2.913 3.736 1.00 0.00 O ATOM 1341 CB THR A 91 -2.436 -3.452 5.953 1.00 0.00 C ATOM 1342 OG1 THR A 91 -1.123 -3.410 6.479 1.00 0.00 O ATOM 1343 CG2 THR A 91 -3.355 -4.046 7.032 1.00 0.00 C ATOM 0 H THR A 91 -1.720 -2.457 3.594 1.00 0.00 H new ATOM 0 HA THR A 91 -2.197 -5.184 4.711 1.00 0.00 H new ATOM 0 HB THR A 91 -2.808 -2.452 5.729 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.134 -2.965 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.239 -3.484 7.959 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.391 -3.988 6.700 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.087 -5.088 7.204 1.00 0.00 H new ATOM 1351 N VAL A 92 -4.557 -5.161 3.746 1.00 0.00 N ATOM 1352 CA VAL A 92 -5.939 -5.217 3.278 1.00 0.00 C ATOM 1353 C VAL A 92 -6.832 -5.764 4.397 1.00 0.00 C ATOM 1354 O VAL A 92 -6.331 -6.351 5.355 1.00 0.00 O ATOM 1355 CB VAL A 92 -6.059 -6.024 1.959 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -5.184 -5.438 0.839 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -5.754 -7.519 2.139 1.00 0.00 C ATOM 0 H VAL A 92 -4.143 -6.083 3.881 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.283 -4.211 3.038 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.104 -5.935 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.301 -6.036 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.491 -4.412 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.139 -5.450 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.855 -8.029 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.736 -7.641 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.454 -7.950 2.855 1.00 0.00 H new ATOM 1367 N ARG A 93 -8.158 -5.618 4.306 1.00 0.00 N ATOM 1368 CA ARG A 93 -9.084 -6.124 5.319 1.00 0.00 C ATOM 1369 C ARG A 93 -10.433 -6.442 4.709 1.00 0.00 C ATOM 1370 O ARG A 93 -10.864 -5.752 3.783 1.00 0.00 O ATOM 1371 CB ARG A 93 -9.202 -5.092 6.449 1.00 0.00 C ATOM 1372 CG ARG A 93 -10.149 -3.923 6.170 1.00 0.00 C ATOM 1373 CD ARG A 93 -10.334 -2.949 7.337 1.00 0.00 C ATOM 1374 NE ARG A 93 -10.777 -1.639 6.845 1.00 0.00 N ATOM 1375 CZ ARG A 93 -11.226 -0.608 7.567 1.00 0.00 C ATOM 1376 NH1 ARG A 93 -11.480 -0.729 8.871 1.00 0.00 N ATOM 1377 NH2 ARG A 93 -11.409 0.556 6.968 1.00 0.00 N ATOM 0 H ARG A 93 -8.617 -5.146 3.527 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.698 -7.056 5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.538 -5.603 7.352 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.210 -4.692 6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.774 -3.369 5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.124 -4.323 5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.066 -3.348 8.039 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.396 -2.842 7.882 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.738 -1.499 5.835 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.332 -1.623 9.339 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.822 0.073 9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.208 0.655 5.973 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.751 1.356 7.501 1.00 0.00 H new ATOM 1391 N ARG A 94 -11.118 -7.463 5.225 1.00 0.00 N ATOM 1392 CA ARG A 94 -12.380 -7.946 4.651 1.00 0.00 C ATOM 1393 C ARG A 94 -13.279 -8.505 5.750 1.00 0.00 C ATOM 1394 O ARG A 94 -12.833 -9.356 6.527 1.00 0.00 O ATOM 1395 CB ARG A 94 -12.072 -9.037 3.611 1.00 0.00 C ATOM 1396 CG ARG A 94 -11.412 -8.523 2.312 1.00 0.00 C ATOM 1397 CD ARG A 94 -10.661 -9.662 1.612 1.00 0.00 C ATOM 1398 NE ARG A 94 -11.551 -10.759 1.193 1.00 0.00 N ATOM 1399 CZ ARG A 94 -12.396 -10.721 0.158 1.00 0.00 C ATOM 1400 NH1 ARG A 94 -12.303 -9.778 -0.765 1.00 0.00 N ATOM 1401 NH2 ARG A 94 -13.353 -11.630 0.068 1.00 0.00 N ATOM 0 H ARG A 94 -10.817 -7.980 6.051 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.901 -7.119 4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.416 -9.779 4.066 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.000 -9.547 3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.173 -8.116 1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.722 -7.711 2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.143 -9.267 0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.898 -10.055 2.284 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.520 -11.620 1.739 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.578 -9.064 -0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.957 -9.765 -1.548 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.441 -12.351 0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.003 -11.610 -0.718 1.00 0.00 H new ATOM 1415 N LYS A 95 -14.529 -8.039 5.849 1.00 0.00 N ATOM 1416 CA LYS A 95 -15.493 -8.490 6.839 1.00 0.00 C ATOM 1417 C LYS A 95 -15.817 -9.968 6.699 1.00 0.00 C ATOM 1418 O LYS A 95 -16.242 -10.451 5.646 1.00 0.00 O ATOM 1419 CB LYS A 95 -16.711 -7.572 6.815 1.00 0.00 C ATOM 1420 CG LYS A 95 -17.451 -7.544 8.152 1.00 0.00 C ATOM 1421 CD LYS A 95 -18.630 -8.521 8.247 1.00 0.00 C ATOM 1422 CE LYS A 95 -19.943 -7.848 7.840 1.00 0.00 C ATOM 1423 NZ LYS A 95 -21.105 -8.639 8.288 1.00 0.00 N ATOM 0 H LYS A 95 -14.899 -7.322 5.225 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.054 -8.414 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.395 -6.561 6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.394 -7.901 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.743 -7.770 8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.818 -6.533 8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.445 -9.381 7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.712 -8.897 9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.992 -6.848 8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -19.975 -7.730 6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -21.982 -8.161 8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -21.068 -9.585 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -21.085 -8.730 9.324 1.00 0.00 H new