USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 679 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 13 MET CE :methyl -133:sc= -1.57 (180deg=-4.73!) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= -0.993 (180deg=-1.31) USER MOD Single : A 23 SER OG : rot 180:sc= -0.215 USER MOD Single : A 27 ASN : amide:sc= -3.33 K(o=-3.3,f=-4.1!) USER MOD Single : A 31 HIS : no HD1:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 107:sc= -0.0248 USER MOD Single : A 50 SER OG : rot 180:sc= -0.101 USER MOD Single : A 52 SER OG : rot -18:sc= 1.04 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 29:sc= 0.202 USER MOD Single : A 60 THR OG1 : rot -149:sc= 0.0295 USER MOD Single : A 69 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 70 LYS NZ :NH3+ -128:sc= 0.639 (180deg=-0.103) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0603 USER MOD Single : A 78 TYR OH : rot 126:sc= 0.773 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.542 USER MOD Single : A 110 MET CE :methyl -128:sc= -2.23 (180deg=-11.5!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 11 14.685 11.123 -1.034 1.00 53.44 N ATOM 124 CA PRO A 11 15.841 11.105 -1.936 1.00 54.45 C ATOM 125 C PRO A 11 16.927 10.144 -1.466 1.00 45.03 C ATOM 126 O PRO A 11 17.621 9.530 -2.279 1.00 23.34 O ATOM 127 CB PRO A 11 16.349 12.549 -1.890 1.00 72.55 C ATOM 128 CG PRO A 11 15.889 13.070 -0.573 1.00 3.34 C ATOM 129 CD PRO A 11 14.578 12.391 -0.292 1.00 61.21 C ATOM 0 HA PRO A 11 15.573 10.764 -2.936 1.00 54.45 H new ATOM 0 HB2 PRO A 11 17.435 12.590 -1.974 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.943 13.138 -2.712 1.00 72.55 H new ATOM 0 HG2 PRO A 11 16.617 12.851 0.208 1.00 3.34 H new ATOM 0 HG3 PRO A 11 15.769 14.153 -0.603 1.00 3.34 H new ATOM 0 HD2 PRO A 11 14.434 12.221 0.775 1.00 61.21 H new ATOM 0 HD3 PRO A 11 13.734 12.988 -0.637 1.00 61.21 H new ATOM 137 N LEU A 12 17.069 10.015 -0.152 1.00 63.12 N ATOM 138 CA LEU A 12 18.072 9.127 0.426 1.00 52.33 C ATOM 139 C LEU A 12 17.564 8.503 1.722 1.00 2.43 C ATOM 140 O LEU A 12 17.329 9.202 2.708 1.00 13.02 O ATOM 141 CB LEU A 12 19.370 9.892 0.689 1.00 40.22 C ATOM 142 CG LEU A 12 20.556 9.057 1.172 1.00 11.33 C ATOM 143 CD1 LEU A 12 20.436 8.770 2.661 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.650 7.759 0.383 1.00 15.23 C ATOM 0 H LEU A 12 16.502 10.514 0.534 1.00 63.12 H new ATOM 0 HA LEU A 12 18.268 8.328 -0.288 1.00 52.33 H new ATOM 0 HB2 LEU A 12 19.660 10.401 -0.230 1.00 40.22 H new ATOM 0 HB3 LEU A 12 19.169 10.664 1.432 1.00 40.22 H new ATOM 0 HG LEU A 12 21.470 9.628 1.006 1.00 11.33 H new ATOM 0 HD11 LEU A 12 21.289 8.175 2.987 1.00 73.42 H new ATOM 0 HD12 LEU A 12 20.418 9.710 3.212 1.00 73.42 H new ATOM 0 HD13 LEU A 12 19.515 8.219 2.852 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.500 7.177 0.740 1.00 15.23 H new ATOM 0 HD22 LEU A 12 19.734 7.184 0.518 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.784 7.985 -0.675 1.00 15.23 H new ATOM 156 N MET A 13 17.400 7.185 1.714 1.00 61.20 N ATOM 157 CA MET A 13 16.923 6.467 2.891 1.00 22.34 C ATOM 158 C MET A 13 17.774 5.229 3.154 1.00 2.51 C ATOM 159 O MET A 13 18.300 4.616 2.224 1.00 53.15 O ATOM 160 CB MET A 13 15.458 6.064 2.711 1.00 74.34 C ATOM 161 CG MET A 13 15.216 5.178 1.499 1.00 62.10 C ATOM 162 SD MET A 13 13.886 3.990 1.763 1.00 31.34 S ATOM 163 CE MET A 13 14.565 3.012 3.101 1.00 60.31 C ATOM 0 H MET A 13 17.590 6.592 0.906 1.00 61.20 H new ATOM 0 HA MET A 13 17.006 7.133 3.750 1.00 22.34 H new ATOM 0 HB2 MET A 13 15.121 5.541 3.606 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.851 6.964 2.620 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.975 5.803 0.639 1.00 62.10 H new ATOM 0 HG3 MET A 13 16.134 4.642 1.256 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.441 1.953 2.877 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.625 3.237 3.214 1.00 60.31 H new ATOM 0 HE3 MET A 13 14.043 3.250 4.027 1.00 60.31 H new ATOM 173 N VAL A 14 17.906 4.866 4.426 1.00 21.22 N ATOM 174 CA VAL A 14 18.693 3.700 4.810 1.00 2.34 C ATOM 175 C VAL A 14 17.795 2.506 5.111 1.00 34.21 C ATOM 176 O VAL A 14 16.829 2.615 5.866 1.00 35.53 O ATOM 177 CB VAL A 14 19.567 3.995 6.045 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.335 2.751 6.465 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.517 5.149 5.761 1.00 44.55 C ATOM 0 H VAL A 14 17.478 5.362 5.208 1.00 21.22 H new ATOM 0 HA VAL A 14 19.339 3.461 3.965 1.00 2.34 H new ATOM 0 HB VAL A 14 18.916 4.285 6.869 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.946 2.978 7.338 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.632 1.955 6.711 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.978 2.427 5.647 1.00 51.25 H new ATOM 0 HG21 VAL A 14 21.127 5.344 6.643 1.00 44.55 H new ATOM 0 HG22 VAL A 14 21.164 4.890 4.923 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.942 6.041 5.513 1.00 44.55 H new ATOM 189 N LYS A 15 18.120 1.363 4.515 1.00 20.03 N ATOM 190 CA LYS A 15 17.344 0.146 4.719 1.00 34.30 C ATOM 191 C LYS A 15 18.225 -0.976 5.259 1.00 62.02 C ATOM 192 O LYS A 15 19.075 -1.510 4.546 1.00 61.44 O ATOM 193 CB LYS A 15 16.689 -0.292 3.407 1.00 53.00 C ATOM 194 CG LYS A 15 16.030 -1.658 3.483 1.00 15.14 C ATOM 195 CD LYS A 15 14.851 -1.656 4.442 1.00 41.01 C ATOM 196 CE LYS A 15 15.220 -2.279 5.779 1.00 63.11 C ATOM 197 NZ LYS A 15 14.097 -3.075 6.349 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.916 1.255 3.887 1.00 20.03 H new ATOM 0 HA LYS A 15 16.566 0.359 5.452 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.941 0.447 3.119 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.444 -0.305 2.621 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.692 -1.956 2.490 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.762 -2.398 3.806 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.509 -0.633 4.598 1.00 41.01 H new ATOM 0 HD3 LYS A 15 14.020 -2.206 4.000 1.00 41.01 H new ATOM 0 HE2 LYS A 15 16.092 -2.920 5.652 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.501 -1.493 6.480 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.242 -3.197 7.372 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.199 -2.577 6.183 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.065 -4.008 5.891 1.00 53.54 H new ATOM 211 N VAL A 16 18.016 -1.330 6.523 1.00 25.51 N ATOM 212 CA VAL A 16 18.790 -2.391 7.158 1.00 72.30 C ATOM 213 C VAL A 16 17.877 -3.469 7.731 1.00 42.30 C ATOM 214 O VAL A 16 17.033 -3.193 8.585 1.00 53.32 O ATOM 215 CB VAL A 16 19.683 -1.837 8.284 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.474 -2.959 8.939 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.614 -0.762 7.745 1.00 21.20 C ATOM 0 H VAL A 16 17.317 -0.898 7.128 1.00 25.51 H new ATOM 0 HA VAL A 16 19.422 -2.828 6.385 1.00 72.30 H new ATOM 0 HB VAL A 16 19.043 -1.385 9.042 1.00 4.53 H new ATOM 0 HG11 VAL A 16 21.099 -2.549 9.732 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.786 -3.691 9.362 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.105 -3.443 8.193 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.238 -0.382 8.554 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.248 -1.187 6.967 1.00 21.20 H new ATOM 0 HG23 VAL A 16 20.024 0.054 7.327 1.00 21.20 H new ATOM 227 N LEU A 17 18.052 -4.698 7.258 1.00 45.53 N ATOM 228 CA LEU A 17 17.244 -5.819 7.724 1.00 34.25 C ATOM 229 C LEU A 17 18.101 -7.066 7.914 1.00 35.30 C ATOM 230 O LEU A 17 19.097 -7.260 7.215 1.00 14.24 O ATOM 231 CB LEU A 17 16.116 -6.108 6.732 1.00 4.15 C ATOM 232 CG LEU A 17 16.492 -6.957 5.517 1.00 21.13 C ATOM 233 CD1 LEU A 17 15.915 -8.358 5.644 1.00 54.51 C ATOM 234 CD2 LEU A 17 16.010 -6.294 4.234 1.00 44.01 C ATOM 0 H LEU A 17 18.746 -4.943 6.552 1.00 45.53 H new ATOM 0 HA LEU A 17 16.812 -5.547 8.687 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.310 -6.611 7.266 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.719 -5.157 6.377 1.00 4.15 H new ATOM 0 HG LEU A 17 17.578 -7.037 5.476 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.193 -8.947 4.770 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.309 -8.834 6.542 1.00 54.51 H new ATOM 0 HD13 LEU A 17 14.829 -8.299 5.711 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.286 -6.912 3.379 1.00 44.01 H new ATOM 0 HD22 LEU A 17 14.926 -6.183 4.267 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.472 -5.312 4.136 1.00 44.01 H new ATOM 246 N ASP A 18 17.707 -7.910 8.861 1.00 35.22 N ATOM 247 CA ASP A 18 18.438 -9.141 9.141 1.00 62.01 C ATOM 248 C ASP A 18 18.019 -10.251 8.182 1.00 31.11 C ATOM 249 O ASP A 18 16.893 -10.744 8.242 1.00 73.51 O ATOM 250 CB ASP A 18 18.202 -9.582 10.586 1.00 12.00 C ATOM 251 CG ASP A 18 19.241 -9.023 11.539 1.00 12.43 C ATOM 252 OD1 ASP A 18 19.511 -7.806 11.474 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 19.783 -9.804 12.349 1.00 41.53 O ATOM 0 H ASP A 18 16.886 -7.765 9.448 1.00 35.22 H new ATOM 0 HA ASP A 18 19.501 -8.944 8.999 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.211 -9.259 10.904 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.215 -10.671 10.637 1.00 12.00 H new ATOM 258 N ALA A 19 18.933 -10.639 7.299 1.00 34.14 N ATOM 259 CA ALA A 19 18.659 -11.691 6.328 1.00 74.24 C ATOM 260 C ALA A 19 18.346 -13.012 7.023 1.00 42.11 C ATOM 261 O ALA A 19 17.790 -13.928 6.417 1.00 25.21 O ATOM 262 CB ALA A 19 19.839 -11.857 5.382 1.00 45.22 C ATOM 0 H ALA A 19 19.870 -10.241 7.236 1.00 34.14 H new ATOM 0 HA ALA A 19 17.783 -11.398 5.750 1.00 74.24 H new ATOM 0 HB1 ALA A 19 19.620 -12.646 4.662 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.015 -10.921 4.852 1.00 45.22 H new ATOM 0 HB3 ALA A 19 20.728 -12.123 5.953 1.00 45.22 H new ATOM 268 N VAL A 20 18.708 -13.104 8.299 1.00 34.04 N ATOM 269 CA VAL A 20 18.465 -14.312 9.078 1.00 21.35 C ATOM 270 C VAL A 20 16.999 -14.725 9.009 1.00 44.04 C ATOM 271 O VAL A 20 16.682 -15.883 8.735 1.00 43.12 O ATOM 272 CB VAL A 20 18.865 -14.120 10.553 1.00 5.35 C ATOM 273 CG1 VAL A 20 18.725 -15.426 11.319 1.00 34.41 C ATOM 274 CG2 VAL A 20 20.284 -13.582 10.654 1.00 3.13 C ATOM 0 H VAL A 20 19.171 -12.356 8.815 1.00 34.04 H new ATOM 0 HA VAL A 20 19.082 -15.098 8.642 1.00 21.35 H new ATOM 0 HB VAL A 20 18.191 -13.390 11.002 1.00 5.35 H new ATOM 0 HG11 VAL A 20 19.012 -15.270 12.359 1.00 34.41 H new ATOM 0 HG12 VAL A 20 17.690 -15.764 11.275 1.00 34.41 H new ATOM 0 HG13 VAL A 20 19.373 -16.181 10.873 1.00 34.41 H new ATOM 0 HG21 VAL A 20 20.550 -13.452 11.703 1.00 3.13 H new ATOM 0 HG22 VAL A 20 20.974 -14.286 10.189 1.00 3.13 H new ATOM 0 HG23 VAL A 20 20.346 -12.621 10.143 1.00 3.13 H new ATOM 284 N ARG A 21 16.109 -13.771 9.260 1.00 13.31 N ATOM 285 CA ARG A 21 14.676 -14.035 9.228 1.00 41.52 C ATOM 286 C ARG A 21 13.997 -13.221 8.130 1.00 40.44 C ATOM 287 O ARG A 21 12.875 -13.520 7.725 1.00 1.41 O ATOM 288 CB ARG A 21 14.045 -13.709 10.583 1.00 42.31 C ATOM 289 CG ARG A 21 14.902 -14.119 11.769 1.00 55.31 C ATOM 290 CD ARG A 21 15.747 -12.960 12.274 1.00 11.13 C ATOM 291 NE ARG A 21 16.810 -13.406 13.169 1.00 51.30 N ATOM 292 CZ ARG A 21 17.572 -12.579 13.875 1.00 13.52 C ATOM 293 NH1 ARG A 21 17.389 -11.268 13.790 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 18.520 -13.062 14.669 1.00 1.52 N ATOM 0 H ARG A 21 16.355 -12.808 9.488 1.00 13.31 H new ATOM 0 HA ARG A 21 14.532 -15.094 9.013 1.00 41.52 H new ATOM 0 HB2 ARG A 21 13.854 -12.637 10.637 1.00 42.31 H new ATOM 0 HB3 ARG A 21 13.079 -14.209 10.654 1.00 42.31 H new ATOM 0 HG2 ARG A 21 14.262 -14.481 12.573 1.00 55.31 H new ATOM 0 HG3 ARG A 21 15.551 -14.946 11.481 1.00 55.31 H new ATOM 0 HD2 ARG A 21 16.185 -12.434 11.426 1.00 11.13 H new ATOM 0 HD3 ARG A 21 15.109 -12.247 12.796 1.00 11.13 H new ATOM 0 HE ARG A 21 16.977 -14.408 13.257 1.00 51.30 H new ATOM 0 HH11 ARG A 21 16.662 -10.893 13.181 1.00 72.23 H new ATOM 0 HH12 ARG A 21 17.976 -10.635 14.333 1.00 72.23 H new ATOM 0 HH21 ARG A 21 18.664 -14.070 14.737 1.00 1.52 H new ATOM 0 HH22 ARG A 21 19.105 -12.426 15.211 1.00 1.52 H new ATOM 308 N GLY A 22 14.688 -12.190 7.652 1.00 74.32 N ATOM 309 CA GLY A 22 14.136 -11.349 6.606 1.00 71.21 C ATOM 310 C GLY A 22 13.423 -10.130 7.157 1.00 53.11 C ATOM 311 O GLY A 22 12.829 -9.357 6.406 1.00 34.42 O ATOM 0 H GLY A 22 15.619 -11.923 7.970 1.00 74.32 H new ATOM 0 HA2 GLY A 22 14.938 -11.027 5.942 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.439 -11.933 6.005 1.00 71.21 H new ATOM 315 N SER A 23 13.481 -9.958 8.474 1.00 51.51 N ATOM 316 CA SER A 23 12.831 -8.828 9.126 1.00 3.34 C ATOM 317 C SER A 23 13.800 -7.660 9.283 1.00 32.43 C ATOM 318 O SER A 23 15.019 -7.816 9.200 1.00 43.34 O ATOM 319 CB SER A 23 12.290 -9.244 10.496 1.00 71.44 C ATOM 320 OG SER A 23 12.575 -10.606 10.765 1.00 35.11 O ATOM 0 H SER A 23 13.971 -10.587 9.110 1.00 51.51 H new ATOM 0 HA SER A 23 12.000 -8.507 8.497 1.00 3.34 H new ATOM 0 HB2 SER A 23 12.732 -8.617 11.271 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.213 -9.081 10.530 1.00 71.44 H new ATOM 0 HG SER A 23 12.221 -10.846 11.646 1.00 35.11 H new ATOM 326 N PRO A 24 13.247 -6.461 9.516 1.00 34.11 N ATOM 327 CA PRO A 24 14.044 -5.242 9.690 1.00 75.01 C ATOM 328 C PRO A 24 14.827 -5.244 10.998 1.00 32.44 C ATOM 329 O PRO A 24 14.408 -5.851 11.983 1.00 65.23 O ATOM 330 CB PRO A 24 12.993 -4.129 9.697 1.00 55.43 C ATOM 331 CG PRO A 24 11.741 -4.794 10.154 1.00 2.33 C ATOM 332 CD PRO A 24 11.802 -6.201 9.627 1.00 25.13 C ATOM 0 HA PRO A 24 14.796 -5.131 8.909 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.279 -3.319 10.368 1.00 55.43 H new ATOM 0 HB3 PRO A 24 12.871 -3.693 8.705 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.671 -4.788 11.242 1.00 2.33 H new ATOM 0 HG3 PRO A 24 10.862 -4.273 9.775 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.318 -6.905 10.304 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.302 -6.291 8.663 1.00 25.13 H new ATOM 340 N ALA A 25 15.967 -4.561 11.001 1.00 41.01 N ATOM 341 CA ALA A 25 16.808 -4.481 12.189 1.00 63.44 C ATOM 342 C ALA A 25 16.527 -3.206 12.976 1.00 30.11 C ATOM 343 O ALA A 25 16.394 -2.126 12.399 1.00 75.14 O ATOM 344 CB ALA A 25 18.277 -4.553 11.802 1.00 64.11 C ATOM 0 H ALA A 25 16.330 -4.055 10.193 1.00 41.01 H new ATOM 0 HA ALA A 25 16.571 -5.331 12.829 1.00 63.44 H new ATOM 0 HB1 ALA A 25 18.893 -4.492 12.699 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.473 -5.496 11.291 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.520 -3.723 11.138 1.00 64.11 H new ATOM 350 N ILE A 26 16.438 -3.337 14.295 1.00 43.00 N ATOM 351 CA ILE A 26 16.174 -2.194 15.160 1.00 13.15 C ATOM 352 C ILE A 26 17.435 -1.762 15.900 1.00 11.44 C ATOM 353 O ILE A 26 18.205 -2.595 16.374 1.00 75.40 O ATOM 354 CB ILE A 26 15.072 -2.510 16.189 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.699 -2.123 15.633 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.344 -1.782 17.497 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.343 -0.670 15.860 1.00 11.12 C ATOM 0 H ILE A 26 16.545 -4.223 14.788 1.00 43.00 H new ATOM 0 HA ILE A 26 15.837 -1.382 14.516 1.00 13.15 H new ATOM 0 HB ILE A 26 15.075 -3.582 16.385 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.677 -2.331 14.563 1.00 52.34 H new ATOM 0 HG13 ILE A 26 12.938 -2.752 16.096 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.557 -2.015 18.214 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.306 -2.101 17.898 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.364 -0.707 17.318 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.358 -0.467 15.440 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.332 -0.461 16.930 1.00 11.12 H new ATOM 0 HD13 ILE A 26 14.083 -0.034 15.374 1.00 11.12 H new ATOM 369 N ASN A 27 17.638 -0.452 15.996 1.00 72.15 N ATOM 370 CA ASN A 27 18.805 0.093 16.680 1.00 74.24 C ATOM 371 C ASN A 27 20.093 -0.326 15.976 1.00 65.44 C ATOM 372 O ASN A 27 20.945 -0.992 16.562 1.00 74.45 O ATOM 373 CB ASN A 27 18.833 -0.374 18.137 1.00 42.11 C ATOM 374 CG ASN A 27 17.521 -0.116 18.851 1.00 53.35 C ATOM 375 OD1 ASN A 27 17.062 -0.936 19.646 1.00 33.42 O ATOM 376 ND2 ASN A 27 16.909 1.029 18.570 1.00 65.05 N ATOM 0 H ASN A 27 17.009 0.252 15.609 1.00 72.15 H new ATOM 0 HA ASN A 27 18.734 1.180 16.655 1.00 74.24 H new ATOM 0 HB2 ASN A 27 19.058 -1.440 18.170 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.638 0.138 18.665 1.00 42.11 H new ATOM 0 HD21 ASN A 27 16.022 1.257 19.020 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.326 1.680 17.904 1.00 65.05 H new ATOM 383 N VAL A 28 20.226 0.071 14.714 1.00 63.23 N ATOM 384 CA VAL A 28 21.410 -0.261 13.930 1.00 64.00 C ATOM 385 C VAL A 28 22.204 0.991 13.576 1.00 62.33 C ATOM 386 O VAL A 28 21.760 1.815 12.777 1.00 75.42 O ATOM 387 CB VAL A 28 21.034 -1.000 12.632 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.281 -1.346 11.833 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.228 -2.252 12.946 1.00 70.12 C ATOM 0 H VAL A 28 19.529 0.622 14.213 1.00 63.23 H new ATOM 0 HA VAL A 28 22.025 -0.915 14.548 1.00 64.00 H new ATOM 0 HB VAL A 28 20.415 -0.339 12.025 1.00 51.21 H new ATOM 0 HG11 VAL A 28 21.995 -1.868 10.920 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.814 -0.431 11.576 1.00 23.21 H new ATOM 0 HG13 VAL A 28 22.929 -1.988 12.430 1.00 23.21 H new ATOM 0 HG21 VAL A 28 19.971 -2.762 12.017 1.00 70.12 H new ATOM 0 HG22 VAL A 28 20.820 -2.918 13.574 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.315 -1.974 13.472 1.00 70.12 H new ATOM 399 N ALA A 29 23.381 1.128 14.178 1.00 51.31 N ATOM 400 CA ALA A 29 24.239 2.279 13.925 1.00 14.44 C ATOM 401 C ALA A 29 24.550 2.416 12.438 1.00 34.01 C ATOM 402 O ALA A 29 25.063 1.487 11.813 1.00 1.50 O ATOM 403 CB ALA A 29 25.527 2.164 14.727 1.00 51.41 C ATOM 0 H ALA A 29 23.762 0.456 14.844 1.00 51.31 H new ATOM 0 HA ALA A 29 23.705 3.175 14.242 1.00 14.44 H new ATOM 0 HB1 ALA A 29 26.158 3.030 14.528 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.291 2.123 15.790 1.00 51.41 H new ATOM 0 HB3 ALA A 29 26.056 1.256 14.438 1.00 51.41 H new ATOM 409 N VAL A 30 24.237 3.579 11.877 1.00 53.05 N ATOM 410 CA VAL A 30 24.483 3.837 10.464 1.00 30.12 C ATOM 411 C VAL A 30 25.062 5.232 10.252 1.00 13.12 C ATOM 412 O VAL A 30 24.560 6.214 10.802 1.00 14.35 O ATOM 413 CB VAL A 30 23.193 3.698 9.634 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.448 4.073 8.182 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.643 2.283 9.739 1.00 21.10 C ATOM 0 H VAL A 30 23.812 4.358 12.380 1.00 53.05 H new ATOM 0 HA VAL A 30 25.204 3.092 10.128 1.00 30.12 H new ATOM 0 HB VAL A 30 22.448 4.385 10.035 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.525 3.968 7.612 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.793 5.106 8.128 1.00 20.24 H new ATOM 0 HG13 VAL A 30 24.209 3.414 7.764 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.732 2.202 9.147 1.00 21.10 H new ATOM 0 HG22 VAL A 30 23.383 1.576 9.364 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.420 2.056 10.781 1.00 21.10 H new ATOM 425 N HIS A 31 26.120 5.313 9.452 1.00 64.03 N ATOM 426 CA HIS A 31 26.767 6.589 9.167 1.00 64.42 C ATOM 427 C HIS A 31 26.863 6.825 7.662 1.00 32.44 C ATOM 428 O HIS A 31 27.428 6.011 6.931 1.00 61.22 O ATOM 429 CB HIS A 31 28.162 6.629 9.791 1.00 31.03 C ATOM 430 CG HIS A 31 28.204 6.111 11.196 1.00 51.53 C ATOM 431 ND1 HIS A 31 28.290 6.934 12.299 1.00 72.45 N ATOM 432 CD2 HIS A 31 28.169 4.845 11.675 1.00 62.03 C ATOM 433 CE1 HIS A 31 28.309 6.197 13.395 1.00 20.24 C ATOM 434 NE2 HIS A 31 28.236 4.925 13.044 1.00 41.10 N ATOM 0 H HIS A 31 26.548 4.511 8.990 1.00 64.03 H new ATOM 0 HA HIS A 31 26.159 7.382 9.604 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.844 6.042 9.175 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.527 7.656 9.780 1.00 31.03 H new ATOM 0 HD2 HIS A 31 28.101 3.940 11.089 1.00 62.03 H new ATOM 0 HE1 HIS A 31 28.373 6.571 14.406 1.00 20.24 H new ATOM 0 HE2 HIS A 31 28.230 4.132 13.686 1.00 41.10 H new ATOM 442 N VAL A 32 26.308 7.943 7.207 1.00 24.00 N ATOM 443 CA VAL A 32 26.331 8.286 5.790 1.00 4.03 C ATOM 444 C VAL A 32 27.370 9.364 5.503 1.00 11.32 C ATOM 445 O VAL A 32 27.553 10.291 6.292 1.00 31.44 O ATOM 446 CB VAL A 32 24.953 8.775 5.308 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.919 8.868 3.790 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.853 7.856 5.818 1.00 32.45 C ATOM 0 H VAL A 32 25.837 8.627 7.799 1.00 24.00 H new ATOM 0 HA VAL A 32 26.595 7.377 5.249 1.00 4.03 H new ATOM 0 HB VAL A 32 24.780 9.772 5.713 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.937 9.215 3.469 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.681 9.570 3.451 1.00 52.25 H new ATOM 0 HG13 VAL A 32 25.115 7.885 3.361 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.886 8.217 5.468 1.00 32.45 H new ATOM 0 HG22 VAL A 32 24.020 6.846 5.444 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.863 7.846 6.908 1.00 32.45 H new ATOM 458 N PHE A 33 28.048 9.238 4.367 1.00 51.12 N ATOM 459 CA PHE A 33 29.070 10.201 3.975 1.00 51.45 C ATOM 460 C PHE A 33 28.954 10.544 2.492 1.00 55.55 C ATOM 461 O PHE A 33 28.267 9.856 1.737 1.00 10.22 O ATOM 462 CB PHE A 33 30.465 9.649 4.275 1.00 10.20 C ATOM 463 CG PHE A 33 30.819 9.675 5.734 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.222 8.794 6.621 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.748 10.581 6.219 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.546 8.815 7.965 1.00 11.13 C ATOM 467 CE2 PHE A 33 32.076 10.607 7.561 1.00 73.04 C ATOM 468 CZ PHE A 33 31.474 9.724 8.435 1.00 5.30 C ATOM 0 H PHE A 33 27.908 8.478 3.701 1.00 51.12 H new ATOM 0 HA PHE A 33 28.916 11.112 4.554 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.527 8.623 3.913 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.203 10.228 3.720 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.495 8.082 6.258 1.00 34.41 H new ATOM 0 HD2 PHE A 33 32.221 11.275 5.540 1.00 65.40 H new ATOM 0 HE1 PHE A 33 30.074 8.122 8.646 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.803 11.318 7.926 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.728 9.744 9.484 1.00 5.30 H new ATOM 478 N ARG A 34 29.631 11.612 2.083 1.00 64.43 N ATOM 479 CA ARG A 34 29.603 12.048 0.692 1.00 65.22 C ATOM 480 C ARG A 34 31.017 12.265 0.162 1.00 15.34 C ATOM 481 O ARG A 34 31.925 12.625 0.913 1.00 10.42 O ATOM 482 CB ARG A 34 28.792 13.337 0.556 1.00 44.03 C ATOM 483 CG ARG A 34 28.601 13.787 -0.884 1.00 42.14 C ATOM 484 CD ARG A 34 29.580 14.888 -1.258 1.00 65.22 C ATOM 485 NE ARG A 34 29.252 15.500 -2.543 1.00 22.33 N ATOM 486 CZ ARG A 34 29.402 14.883 -3.710 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.873 13.645 -3.753 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.081 15.506 -4.837 1.00 1.52 N ATOM 0 H ARG A 34 30.206 12.191 2.695 1.00 64.43 H new ATOM 0 HA ARG A 34 29.129 11.265 0.101 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.814 13.191 1.015 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.290 14.130 1.113 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.735 12.937 -1.553 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.580 14.144 -1.023 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.579 15.653 -0.482 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.589 14.477 -1.299 1.00 65.22 H new ATOM 0 HE ARG A 34 28.888 16.453 -2.544 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.121 13.164 -2.889 1.00 32.51 H new ATOM 0 HH12 ARG A 34 29.987 13.174 -4.650 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.719 16.459 -4.808 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.196 15.032 -5.733 1.00 1.52 H new ATOM 502 N LYS A 35 31.198 12.043 -1.135 1.00 52.41 N ATOM 503 CA LYS A 35 32.501 12.215 -1.767 1.00 13.50 C ATOM 504 C LYS A 35 32.877 13.691 -1.845 1.00 22.12 C ATOM 505 O LYS A 35 32.298 14.449 -2.622 1.00 23.40 O ATOM 506 CB LYS A 35 32.494 11.605 -3.171 1.00 52.13 C ATOM 507 CG LYS A 35 33.582 12.154 -4.077 1.00 14.31 C ATOM 508 CD LYS A 35 34.968 11.847 -3.534 1.00 53.52 C ATOM 509 CE LYS A 35 35.292 10.365 -3.636 1.00 23.31 C ATOM 510 NZ LYS A 35 36.181 10.070 -4.793 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.458 11.743 -1.770 1.00 52.41 H new ATOM 0 HA LYS A 35 33.244 11.700 -1.157 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.612 10.524 -3.089 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.523 11.786 -3.632 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.478 11.725 -5.074 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.461 13.232 -4.180 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.712 12.422 -4.086 1.00 53.52 H new ATOM 0 HD3 LYS A 35 35.030 12.163 -2.493 1.00 53.52 H new ATOM 0 HE2 LYS A 35 35.772 10.034 -2.715 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.367 9.797 -3.735 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 36.378 9.049 -4.828 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.712 10.362 -5.674 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 37.074 10.592 -4.686 1.00 21.52 H new ATOM 524 N ALA A 36 33.852 14.092 -1.035 1.00 11.43 N ATOM 525 CA ALA A 36 34.307 15.477 -1.015 1.00 5.53 C ATOM 526 C ALA A 36 35.090 15.815 -2.279 1.00 3.33 C ATOM 527 O ALA A 36 35.632 14.930 -2.941 1.00 43.41 O ATOM 528 CB ALA A 36 35.158 15.734 0.220 1.00 65.22 C ATOM 0 H ALA A 36 34.342 13.478 -0.384 1.00 11.43 H new ATOM 0 HA ALA A 36 33.429 16.122 -0.979 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.491 16.772 0.223 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.568 15.540 1.115 1.00 65.22 H new ATOM 0 HB3 ALA A 36 36.026 15.074 0.208 1.00 65.22 H new ATOM 534 N ALA A 37 35.145 17.101 -2.609 1.00 31.41 N ATOM 535 CA ALA A 37 35.863 17.556 -3.793 1.00 53.45 C ATOM 536 C ALA A 37 37.341 17.192 -3.713 1.00 42.42 C ATOM 537 O ALA A 37 38.038 17.159 -4.727 1.00 11.14 O ATOM 538 CB ALA A 37 35.696 19.059 -3.967 1.00 43.21 C ATOM 0 H ALA A 37 34.701 17.846 -2.073 1.00 31.41 H new ATOM 0 HA ALA A 37 35.438 17.051 -4.661 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.238 19.385 -4.855 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.638 19.297 -4.079 1.00 43.21 H new ATOM 0 HB3 ALA A 37 36.093 19.573 -3.091 1.00 43.21 H new ATOM 544 N ASP A 38 37.813 16.919 -2.501 1.00 21.45 N ATOM 545 CA ASP A 38 39.210 16.557 -2.289 1.00 71.21 C ATOM 546 C ASP A 38 39.383 15.041 -2.283 1.00 42.43 C ATOM 547 O ASP A 38 40.402 14.524 -1.826 1.00 64.32 O ATOM 548 CB ASP A 38 39.717 17.145 -0.972 1.00 40.43 C ATOM 549 CG ASP A 38 40.328 18.521 -1.149 1.00 61.52 C ATOM 550 OD1 ASP A 38 40.065 19.158 -2.191 1.00 35.52 O ATOM 551 OD2 ASP A 38 41.070 18.961 -0.247 1.00 52.21 O1- ATOM 0 H ASP A 38 37.249 16.941 -1.651 1.00 21.45 H new ATOM 0 HA ASP A 38 39.795 16.969 -3.111 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.891 17.206 -0.263 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.459 16.474 -0.540 1.00 40.43 H new ATOM 556 N ASP A 39 38.381 14.334 -2.794 1.00 23.33 N ATOM 557 CA ASP A 39 38.422 12.878 -2.848 1.00 64.41 C ATOM 558 C ASP A 39 38.430 12.282 -1.443 1.00 62.43 C ATOM 559 O ASP A 39 39.082 11.268 -1.191 1.00 42.41 O ATOM 560 CB ASP A 39 39.655 12.409 -3.621 1.00 53.30 C ATOM 561 CG ASP A 39 39.981 13.313 -4.794 1.00 11.54 C ATOM 562 OD1 ASP A 39 39.281 13.224 -5.825 1.00 1.24 O ATOM 563 OD2 ASP A 39 40.935 14.110 -4.681 1.00 73.02 O1- ATOM 0 H ASP A 39 37.530 14.746 -3.177 1.00 23.33 H new ATOM 0 HA ASP A 39 37.526 12.533 -3.365 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.510 12.371 -2.947 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.489 11.394 -3.983 1.00 53.30 H new ATOM 568 N THR A 40 37.702 12.919 -0.531 1.00 24.15 N ATOM 569 CA THR A 40 37.627 12.454 0.848 1.00 43.05 C ATOM 570 C THR A 40 36.198 12.082 1.226 1.00 61.51 C ATOM 571 O THR A 40 35.277 12.225 0.422 1.00 34.22 O ATOM 572 CB THR A 40 38.144 13.523 1.830 1.00 44.50 C ATOM 573 OG1 THR A 40 37.152 14.538 2.015 1.00 41.21 O ATOM 574 CG2 THR A 40 39.431 14.151 1.318 1.00 21.33 C ATOM 0 H THR A 40 37.156 13.759 -0.723 1.00 24.15 H new ATOM 0 HA THR A 40 38.260 11.570 0.918 1.00 43.05 H new ATOM 0 HB THR A 40 38.350 13.039 2.785 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.487 15.213 2.642 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.777 14.902 2.028 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.193 13.380 1.206 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.247 14.622 0.352 1.00 21.33 H new ATOM 582 N TRP A 41 36.021 11.604 2.452 1.00 45.03 N ATOM 583 CA TRP A 41 34.703 11.212 2.936 1.00 2.42 C ATOM 584 C TRP A 41 34.157 12.238 3.923 1.00 70.44 C ATOM 585 O TRP A 41 34.617 12.323 5.061 1.00 32.21 O ATOM 586 CB TRP A 41 34.769 9.835 3.599 1.00 70.13 C ATOM 587 CG TRP A 41 34.875 8.707 2.617 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.485 8.739 1.395 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.355 7.383 2.773 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.375 7.514 0.783 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.687 6.665 1.607 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.643 6.733 3.784 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.329 5.331 1.428 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.288 5.409 3.605 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.632 4.720 2.434 1.00 75.05 C ATOM 0 H TRP A 41 36.774 11.479 3.129 1.00 45.03 H new ATOM 0 HA TRP A 41 34.030 11.164 2.080 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.627 9.804 4.271 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.879 9.692 4.211 1.00 70.13 H new ATOM 0 HD1 TRP A 41 35.981 9.600 0.972 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.746 7.276 -0.137 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.374 7.256 4.690 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.592 4.798 0.527 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.737 4.897 4.380 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.341 3.686 2.324 1.00 75.05 H new ATOM 606 N GLU A 42 33.174 13.015 3.479 1.00 73.10 N ATOM 607 CA GLU A 42 32.568 14.037 4.325 1.00 54.20 C ATOM 608 C GLU A 42 31.314 13.501 5.010 1.00 4.34 C ATOM 609 O GLU A 42 30.630 12.612 4.502 1.00 73.22 O ATOM 610 CB GLU A 42 32.220 15.276 3.497 1.00 31.41 C ATOM 611 CG GLU A 42 33.426 16.127 3.138 1.00 53.13 C ATOM 612 CD GLU A 42 33.631 17.282 4.099 1.00 51.31 C ATOM 613 OE1 GLU A 42 32.785 18.200 4.112 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.638 17.268 4.837 1.00 64.44 O ATOM 0 H GLU A 42 32.781 12.957 2.540 1.00 73.10 H new ATOM 0 HA GLU A 42 33.291 14.313 5.092 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.722 14.961 2.580 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.508 15.886 4.053 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.319 15.501 3.132 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.303 16.517 2.128 1.00 53.13 H new ATOM 621 N PRO A 43 31.004 14.054 6.192 1.00 54.34 N ATOM 622 CA PRO A 43 29.832 13.648 6.973 1.00 24.43 C ATOM 623 C PRO A 43 28.523 14.077 6.319 1.00 42.40 C ATOM 624 O PRO A 43 28.245 15.269 6.186 1.00 63.02 O ATOM 625 CB PRO A 43 30.026 14.374 8.307 1.00 15.11 C ATOM 626 CG PRO A 43 30.870 15.556 7.976 1.00 23.24 C ATOM 627 CD PRO A 43 31.774 15.119 6.857 1.00 63.44 C ATOM 0 HA PRO A 43 29.761 12.564 7.068 1.00 24.43 H new ATOM 0 HB2 PRO A 43 29.071 14.677 8.735 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.514 13.732 9.040 1.00 15.11 H new ATOM 0 HG2 PRO A 43 30.254 16.402 7.672 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.448 15.877 8.842 1.00 23.24 H new ATOM 0 HD2 PRO A 43 31.995 15.940 6.175 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.729 14.750 7.232 1.00 63.44 H new ATOM 635 N PHE A 44 27.722 13.098 5.913 1.00 23.33 N ATOM 636 CA PHE A 44 26.441 13.374 5.272 1.00 30.03 C ATOM 637 C PHE A 44 25.291 13.205 6.260 1.00 11.52 C ATOM 638 O PHE A 44 24.364 14.013 6.294 1.00 21.02 O ATOM 639 CB PHE A 44 26.238 12.448 4.071 1.00 54.34 C ATOM 640 CG PHE A 44 24.970 12.719 3.312 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.757 12.226 3.765 1.00 23.01 C ATOM 642 CD2 PHE A 44 24.991 13.469 2.147 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.589 12.474 3.069 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.827 13.720 1.446 1.00 24.11 C ATOM 645 CZ PHE A 44 22.624 13.223 1.909 1.00 75.12 C ATOM 0 H PHE A 44 27.937 12.106 6.016 1.00 23.33 H new ATOM 0 HA PHE A 44 26.451 14.408 4.927 1.00 30.03 H new ATOM 0 HB2 PHE A 44 27.086 12.552 3.394 1.00 54.34 H new ATOM 0 HB3 PHE A 44 26.231 11.414 4.417 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.724 11.641 4.672 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.929 13.862 1.782 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.650 12.083 3.432 1.00 44.13 H new ATOM 0 HE2 PHE A 44 23.858 14.304 0.538 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.712 13.420 1.365 1.00 75.12 H new ATOM 655 N ALA A 45 25.358 12.147 7.062 1.00 71.23 N ATOM 656 CA ALA A 45 24.324 11.871 8.051 1.00 64.43 C ATOM 657 C ALA A 45 24.735 10.727 8.971 1.00 24.31 C ATOM 658 O ALA A 45 25.784 10.111 8.781 1.00 5.31 O ATOM 659 CB ALA A 45 23.006 11.549 7.362 1.00 55.21 C ATOM 0 H ALA A 45 26.118 11.467 7.046 1.00 71.23 H new ATOM 0 HA ALA A 45 24.193 12.764 8.662 1.00 64.43 H new ATOM 0 HB1 ALA A 45 22.243 11.345 8.113 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.697 12.398 6.752 1.00 55.21 H new ATOM 0 HB3 ALA A 45 23.132 10.673 6.726 1.00 55.21 H new ATOM 665 N SER A 46 23.904 10.449 9.970 1.00 61.42 N ATOM 666 CA SER A 46 24.184 9.382 10.924 1.00 20.23 C ATOM 667 C SER A 46 22.990 9.147 11.843 1.00 55.20 C ATOM 668 O SER A 46 22.212 10.060 12.115 1.00 65.33 O ATOM 669 CB SER A 46 25.422 9.723 11.755 1.00 30.24 C ATOM 670 OG SER A 46 25.282 9.269 13.090 1.00 45.23 O ATOM 0 H SER A 46 23.031 10.948 10.140 1.00 61.42 H new ATOM 0 HA SER A 46 24.373 8.467 10.362 1.00 20.23 H new ATOM 0 HB2 SER A 46 26.303 9.268 11.303 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.582 10.801 11.749 1.00 30.24 H new ATOM 0 HG SER A 46 26.087 9.498 13.600 1.00 45.23 H new ATOM 676 N GLY A 47 22.850 7.913 12.319 1.00 22.52 N ATOM 677 CA GLY A 47 21.749 7.578 13.202 1.00 13.24 C ATOM 678 C GLY A 47 21.565 6.082 13.359 1.00 23.24 C ATOM 679 O GLY A 47 22.493 5.307 13.127 1.00 53.34 O ATOM 0 H GLY A 47 23.480 7.139 12.108 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.924 8.024 14.181 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.829 8.015 12.813 1.00 13.24 H new ATOM 683 N LYS A 48 20.366 5.673 13.757 1.00 71.53 N ATOM 684 CA LYS A 48 20.062 4.260 13.946 1.00 65.33 C ATOM 685 C LYS A 48 18.798 3.868 13.188 1.00 1.25 C ATOM 686 O LYS A 48 17.781 4.560 13.256 1.00 42.23 O ATOM 687 CB LYS A 48 19.894 3.948 15.435 1.00 75.34 C ATOM 688 CG LYS A 48 21.173 3.482 16.108 1.00 22.40 C ATOM 689 CD LYS A 48 20.961 3.220 17.589 1.00 43.34 C ATOM 690 CE LYS A 48 20.624 4.500 18.339 1.00 30.21 C ATOM 691 NZ LYS A 48 21.127 4.472 19.740 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.587 6.301 13.955 1.00 71.53 H new ATOM 0 HA LYS A 48 20.896 3.679 13.551 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.529 4.839 15.945 1.00 75.34 H new ATOM 0 HB3 LYS A 48 19.131 3.179 15.552 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.529 2.572 15.624 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.949 4.237 15.979 1.00 22.40 H new ATOM 0 HD2 LYS A 48 20.155 2.497 17.720 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.861 2.775 18.013 1.00 43.34 H new ATOM 0 HE2 LYS A 48 21.057 5.352 17.815 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.544 4.644 18.344 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.877 5.362 20.216 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 20.695 3.674 20.248 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 22.161 4.360 19.735 1.00 35.43 H new ATOM 705 N THR A 49 18.867 2.754 12.466 1.00 51.42 N ATOM 706 CA THR A 49 17.728 2.270 11.696 1.00 70.12 C ATOM 707 C THR A 49 16.508 2.068 12.586 1.00 10.11 C ATOM 708 O THR A 49 16.595 2.178 13.809 1.00 53.44 O ATOM 709 CB THR A 49 18.055 0.945 10.983 1.00 52.42 C ATOM 710 OG1 THR A 49 18.214 -0.103 11.946 1.00 74.22 O ATOM 711 CG2 THR A 49 19.323 1.074 10.153 1.00 34.12 C ATOM 0 H THR A 49 19.700 2.170 12.398 1.00 51.42 H new ATOM 0 HA THR A 49 17.506 3.031 10.948 1.00 70.12 H new ATOM 0 HB THR A 49 17.227 0.704 10.316 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.434 -0.695 11.917 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.533 0.125 9.659 1.00 34.12 H new ATOM 0 HG22 THR A 49 19.188 1.852 9.402 1.00 34.12 H new ATOM 0 HG23 THR A 49 20.158 1.337 10.803 1.00 34.12 H new ATOM 719 N SER A 50 15.370 1.773 11.965 1.00 34.50 N ATOM 720 CA SER A 50 14.130 1.558 12.702 1.00 20.42 C ATOM 721 C SER A 50 13.492 0.227 12.316 1.00 73.51 C ATOM 722 O SER A 50 13.960 -0.456 11.406 1.00 35.41 O ATOM 723 CB SER A 50 13.150 2.703 12.437 1.00 43.22 C ATOM 724 OG SER A 50 12.054 2.653 13.333 1.00 64.44 O ATOM 0 H SER A 50 15.281 1.677 10.953 1.00 34.50 H new ATOM 0 HA SER A 50 14.368 1.531 13.765 1.00 20.42 H new ATOM 0 HB2 SER A 50 13.665 3.658 12.540 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.788 2.646 11.411 1.00 43.22 H new ATOM 0 HG SER A 50 11.443 3.396 13.144 1.00 64.44 H new ATOM 730 N GLU A 51 12.421 -0.133 13.016 1.00 30.32 N ATOM 731 CA GLU A 51 11.719 -1.383 12.747 1.00 23.23 C ATOM 732 C GLU A 51 11.010 -1.329 11.396 1.00 40.22 C ATOM 733 O GLU A 51 10.498 -2.338 10.912 1.00 52.42 O ATOM 734 CB GLU A 51 10.705 -1.673 13.856 1.00 74.31 C ATOM 735 CG GLU A 51 9.835 -0.479 14.212 1.00 31.32 C ATOM 736 CD GLU A 51 8.354 -0.775 14.076 1.00 73.14 C ATOM 737 OE1 GLU A 51 7.970 -1.442 13.093 1.00 65.12 O1- ATOM 738 OE2 GLU A 51 7.579 -0.340 14.954 1.00 52.03 O ATOM 0 H GLU A 51 12.021 0.422 13.772 1.00 30.32 H new ATOM 0 HA GLU A 51 12.456 -2.185 12.719 1.00 23.23 H new ATOM 0 HB2 GLU A 51 10.065 -2.498 13.545 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.239 -2.002 14.748 1.00 74.31 H new ATOM 0 HG2 GLU A 51 10.048 -0.172 15.236 1.00 31.32 H new ATOM 0 HG3 GLU A 51 10.095 0.360 13.567 1.00 31.32 H new ATOM 745 N SER A 52 10.985 -0.144 10.795 1.00 1.54 N ATOM 746 CA SER A 52 10.336 0.043 9.502 1.00 44.12 C ATOM 747 C SER A 52 11.365 0.062 8.376 1.00 3.03 C ATOM 748 O SER A 52 11.018 0.223 7.206 1.00 54.51 O ATOM 749 CB SER A 52 9.532 1.344 9.496 1.00 55.52 C ATOM 750 OG SER A 52 8.995 1.605 8.210 1.00 34.12 O ATOM 0 H SER A 52 11.406 0.701 11.182 1.00 1.54 H new ATOM 0 HA SER A 52 9.659 -0.795 9.337 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.724 1.279 10.225 1.00 55.52 H new ATOM 0 HB3 SER A 52 10.172 2.172 9.802 1.00 55.52 H new ATOM 0 HG SER A 52 9.477 1.075 7.541 1.00 34.12 H new ATOM 756 N GLY A 53 12.634 -0.102 8.738 1.00 14.45 N ATOM 757 CA GLY A 53 13.694 -0.100 7.747 1.00 40.03 C ATOM 758 C GLY A 53 13.979 1.286 7.205 1.00 14.23 C ATOM 759 O GLY A 53 14.530 1.432 6.115 1.00 21.34 O ATOM 0 H GLY A 53 12.947 -0.236 9.700 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.603 -0.507 8.191 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.419 -0.759 6.924 1.00 40.03 H new ATOM 763 N GLU A 54 13.601 2.307 7.968 1.00 31.13 N ATOM 764 CA GLU A 54 13.817 3.689 7.555 1.00 52.11 C ATOM 765 C GLU A 54 14.469 4.495 8.675 1.00 0.31 C ATOM 766 O GLU A 54 14.319 4.176 9.855 1.00 51.32 O ATOM 767 CB GLU A 54 12.491 4.337 7.151 1.00 40.52 C ATOM 768 CG GLU A 54 11.547 4.570 8.318 1.00 10.03 C ATOM 769 CD GLU A 54 11.816 5.880 9.034 1.00 73.01 C ATOM 770 OE1 GLU A 54 12.378 6.798 8.402 1.00 75.13 O1- ATOM 771 OE2 GLU A 54 11.464 5.986 10.228 1.00 31.31 O ATOM 0 H GLU A 54 13.144 2.203 8.874 1.00 31.13 H new ATOM 0 HA GLU A 54 14.487 3.684 6.696 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.696 5.291 6.664 1.00 40.52 H new ATOM 0 HB3 GLU A 54 11.996 3.703 6.415 1.00 40.52 H new ATOM 0 HG2 GLU A 54 10.519 4.563 7.956 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.641 3.747 9.027 1.00 10.03 H new ATOM 778 N LEU A 55 15.194 5.542 8.296 1.00 5.54 N ATOM 779 CA LEU A 55 15.871 6.395 9.267 1.00 34.15 C ATOM 780 C LEU A 55 15.572 7.867 9.000 1.00 70.31 C ATOM 781 O LEU A 55 16.025 8.433 8.005 1.00 34.41 O ATOM 782 CB LEU A 55 17.381 6.154 9.223 1.00 4.21 C ATOM 783 CG LEU A 55 18.060 5.904 10.570 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.557 5.711 10.385 1.00 50.42 C ATOM 785 CD2 LEU A 55 17.783 7.053 11.528 1.00 14.12 C ATOM 0 H LEU A 55 15.328 5.821 7.324 1.00 5.54 H new ATOM 0 HA LEU A 55 15.498 6.141 10.259 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.573 5.297 8.577 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.853 7.018 8.755 1.00 4.21 H new ATOM 0 HG LEU A 55 17.647 4.991 11.000 1.00 2.23 H new ATOM 0 HD11 LEU A 55 20.024 5.534 11.354 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.736 4.855 9.735 1.00 50.42 H new ATOM 0 HD13 LEU A 55 19.986 6.605 9.933 1.00 50.42 H new ATOM 0 HD21 LEU A 55 18.274 6.858 12.482 1.00 14.12 H new ATOM 0 HD22 LEU A 55 18.168 7.981 11.105 1.00 14.12 H new ATOM 0 HD23 LEU A 55 16.708 7.145 11.685 1.00 14.12 H new ATOM 797 N HIS A 56 14.808 8.483 9.898 1.00 5.15 N ATOM 798 CA HIS A 56 14.451 9.890 9.761 1.00 13.42 C ATOM 799 C HIS A 56 15.493 10.783 10.428 1.00 51.22 C ATOM 800 O HIS A 56 16.057 10.429 11.463 1.00 34.12 O ATOM 801 CB HIS A 56 13.074 10.150 10.371 1.00 32.12 C ATOM 802 CG HIS A 56 12.405 11.381 9.839 1.00 53.30 C ATOM 803 ND1 HIS A 56 11.862 11.454 8.574 1.00 23.11 N ATOM 804 CD2 HIS A 56 12.193 12.590 10.409 1.00 72.43 C ATOM 805 CE1 HIS A 56 11.345 12.656 8.388 1.00 1.32 C ATOM 806 NE2 HIS A 56 11.533 13.364 9.487 1.00 3.25 N ATOM 0 H HIS A 56 14.425 8.029 10.727 1.00 5.15 H new ATOM 0 HA HIS A 56 14.420 10.130 8.698 1.00 13.42 H new ATOM 0 HB2 HIS A 56 12.434 9.288 10.182 1.00 32.12 H new ATOM 0 HB3 HIS A 56 13.176 10.241 11.452 1.00 32.12 H new ATOM 0 HD2 HIS A 56 12.488 12.890 11.404 1.00 72.43 H new ATOM 0 HE1 HIS A 56 10.853 13.001 7.491 1.00 1.32 H new ATOM 0 HE2 HIS A 56 11.236 14.330 9.628 1.00 3.25 H new ATOM 814 N GLY A 57 15.745 11.942 9.827 1.00 61.41 N ATOM 815 CA GLY A 57 16.720 12.866 10.377 1.00 74.22 C ATOM 816 C GLY A 57 17.970 12.965 9.525 1.00 32.15 C ATOM 817 O GLY A 57 18.621 14.010 9.484 1.00 74.24 O ATOM 0 H GLY A 57 15.292 12.257 8.969 1.00 61.41 H new ATOM 0 HA2 GLY A 57 16.268 13.854 10.470 1.00 74.22 H new ATOM 0 HA3 GLY A 57 16.994 12.545 11.382 1.00 74.22 H new ATOM 821 N LEU A 58 18.308 11.875 8.844 1.00 71.24 N ATOM 822 CA LEU A 58 19.490 11.843 7.990 1.00 13.14 C ATOM 823 C LEU A 58 19.275 12.677 6.731 1.00 72.13 C ATOM 824 O LEU A 58 20.230 13.169 6.128 1.00 54.40 O ATOM 825 CB LEU A 58 19.827 10.400 7.608 1.00 52.25 C ATOM 826 CG LEU A 58 20.655 9.613 8.624 1.00 45.12 C ATOM 827 CD1 LEU A 58 19.789 9.179 9.796 1.00 71.41 C ATOM 828 CD2 LEU A 58 21.305 8.406 7.962 1.00 33.14 C ATOM 0 H LEU A 58 17.780 11.002 8.867 1.00 71.24 H new ATOM 0 HA LEU A 58 20.323 12.270 8.548 1.00 13.14 H new ATOM 0 HB2 LEU A 58 18.894 9.863 7.436 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.367 10.413 6.661 1.00 52.25 H new ATOM 0 HG LEU A 58 21.444 10.263 9.003 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.395 8.620 10.509 1.00 71.41 H new ATOM 0 HD12 LEU A 58 19.372 10.059 10.286 1.00 71.41 H new ATOM 0 HD13 LEU A 58 18.978 8.546 9.435 1.00 71.41 H new ATOM 0 HD21 LEU A 58 21.890 7.858 8.700 1.00 33.14 H new ATOM 0 HD22 LEU A 58 20.532 7.754 7.555 1.00 33.14 H new ATOM 0 HD23 LEU A 58 21.959 8.741 7.157 1.00 33.14 H new ATOM 840 N THR A 59 18.014 12.836 6.340 1.00 63.43 N ATOM 841 CA THR A 59 17.674 13.612 5.154 1.00 22.11 C ATOM 842 C THR A 59 18.096 15.068 5.310 1.00 64.24 C ATOM 843 O THR A 59 17.771 15.717 6.305 1.00 72.41 O ATOM 844 CB THR A 59 16.163 13.556 4.861 1.00 73.42 C ATOM 845 OG1 THR A 59 15.427 14.049 5.986 1.00 35.32 O ATOM 846 CG2 THR A 59 15.725 12.133 4.547 1.00 74.22 C ATOM 0 H THR A 59 17.212 12.438 6.828 1.00 63.43 H new ATOM 0 HA THR A 59 18.216 13.167 4.319 1.00 22.11 H new ATOM 0 HB THR A 59 15.961 14.182 3.992 1.00 73.42 H new ATOM 0 HG1 THR A 59 15.971 14.705 6.471 1.00 35.32 H new ATOM 0 HG21 THR A 59 14.654 12.118 4.343 1.00 74.22 H new ATOM 0 HG22 THR A 59 16.266 11.770 3.673 1.00 74.22 H new ATOM 0 HG23 THR A 59 15.941 11.489 5.400 1.00 74.22 H new ATOM 854 N THR A 60 18.823 15.578 4.321 1.00 12.24 N ATOM 855 CA THR A 60 19.291 16.958 4.348 1.00 43.44 C ATOM 856 C THR A 60 19.469 17.506 2.937 1.00 34.10 C ATOM 857 O THR A 60 19.335 16.775 1.956 1.00 22.23 O ATOM 858 CB THR A 60 20.625 17.084 5.108 1.00 21.12 C ATOM 859 OG1 THR A 60 21.569 16.135 4.600 1.00 74.34 O ATOM 860 CG2 THR A 60 20.422 16.857 6.599 1.00 41.12 C ATOM 0 H THR A 60 19.101 15.055 3.490 1.00 12.24 H new ATOM 0 HA THR A 60 18.529 17.540 4.867 1.00 43.44 H new ATOM 0 HB THR A 60 21.009 18.093 4.959 1.00 21.12 H new ATOM 0 HG1 THR A 60 22.175 15.859 5.319 1.00 74.34 H new ATOM 0 HG21 THR A 60 21.378 16.951 7.115 1.00 41.12 H new ATOM 0 HG22 THR A 60 19.725 17.599 6.988 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.018 15.858 6.763 1.00 41.12 H new ATOM 868 N GLU A 61 19.772 18.797 2.843 1.00 14.50 N ATOM 869 CA GLU A 61 19.968 19.443 1.550 1.00 24.54 C ATOM 870 C GLU A 61 21.192 18.874 0.838 1.00 54.52 C ATOM 871 O GLU A 61 21.374 19.076 -0.362 1.00 63.11 O ATOM 872 CB GLU A 61 20.125 20.954 1.728 1.00 35.23 C ATOM 873 CG GLU A 61 21.264 21.343 2.656 1.00 25.21 C ATOM 874 CD GLU A 61 21.621 22.813 2.557 1.00 70.35 C ATOM 875 OE1 GLU A 61 21.467 23.389 1.460 1.00 33.30 O ATOM 876 OE2 GLU A 61 22.054 23.388 3.578 1.00 13.54 O1- ATOM 0 H GLU A 61 19.887 19.416 3.646 1.00 14.50 H new ATOM 0 HA GLU A 61 19.088 19.246 0.937 1.00 24.54 H new ATOM 0 HB2 GLU A 61 20.290 21.411 0.752 1.00 35.23 H new ATOM 0 HB3 GLU A 61 19.194 21.364 2.118 1.00 35.23 H new ATOM 0 HG2 GLU A 61 20.986 21.109 3.684 1.00 25.21 H new ATOM 0 HG3 GLU A 61 22.142 20.743 2.418 1.00 25.21 H new ATOM 883 N GLU A 62 22.028 18.162 1.588 1.00 72.32 N ATOM 884 CA GLU A 62 23.236 17.565 1.029 1.00 31.42 C ATOM 885 C GLU A 62 22.888 16.531 -0.038 1.00 1.45 C ATOM 886 O GLU A 62 23.738 16.137 -0.835 1.00 71.41 O ATOM 887 CB GLU A 62 24.068 16.913 2.135 1.00 1.21 C ATOM 888 CG GLU A 62 24.724 17.912 3.073 1.00 10.03 C ATOM 889 CD GLU A 62 23.978 18.056 4.385 1.00 2.43 C ATOM 890 OE1 GLU A 62 24.054 17.126 5.215 1.00 75.13 O ATOM 891 OE2 GLU A 62 23.320 19.099 4.583 1.00 32.10 O1- ATOM 0 H GLU A 62 21.891 17.985 2.583 1.00 72.32 H new ATOM 0 HA GLU A 62 23.821 18.358 0.564 1.00 31.42 H new ATOM 0 HB2 GLU A 62 23.428 16.249 2.716 1.00 1.21 H new ATOM 0 HB3 GLU A 62 24.841 16.294 1.679 1.00 1.21 H new ATOM 0 HG2 GLU A 62 25.748 17.598 3.274 1.00 10.03 H new ATOM 0 HG3 GLU A 62 24.779 18.884 2.582 1.00 10.03 H new ATOM 898 N GLU A 63 21.631 16.097 -0.045 1.00 1.55 N ATOM 899 CA GLU A 63 21.171 15.108 -1.013 1.00 2.15 C ATOM 900 C GLU A 63 21.201 15.677 -2.429 1.00 33.05 C ATOM 901 O GLU A 63 21.104 14.938 -3.409 1.00 33.04 O ATOM 902 CB GLU A 63 19.754 14.645 -0.668 1.00 4.33 C ATOM 903 CG GLU A 63 18.694 15.709 -0.895 1.00 54.34 C ATOM 904 CD GLU A 63 18.186 15.731 -2.324 1.00 22.40 C ATOM 905 OE1 GLU A 63 18.258 14.680 -2.995 1.00 61.14 O ATOM 906 OE2 GLU A 63 17.718 16.799 -2.771 1.00 12.13 O1- ATOM 0 H GLU A 63 20.914 16.414 0.608 1.00 1.55 H new ATOM 0 HA GLU A 63 21.846 14.253 -0.969 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.511 13.768 -1.268 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.727 14.334 0.376 1.00 4.33 H new ATOM 0 HG2 GLU A 63 17.857 15.533 -0.219 1.00 54.34 H new ATOM 0 HG3 GLU A 63 19.106 16.687 -0.645 1.00 54.34 H new ATOM 913 N PHE A 64 21.336 16.995 -2.527 1.00 14.24 N ATOM 914 CA PHE A 64 21.378 17.665 -3.822 1.00 42.31 C ATOM 915 C PHE A 64 22.790 17.642 -4.401 1.00 11.50 C ATOM 916 O PHE A 64 23.348 18.683 -4.747 1.00 32.43 O ATOM 917 CB PHE A 64 20.892 19.110 -3.689 1.00 12.40 C ATOM 918 CG PHE A 64 19.397 19.245 -3.722 1.00 41.53 C ATOM 919 CD1 PHE A 64 18.679 18.867 -4.845 1.00 43.22 C ATOM 920 CD2 PHE A 64 18.710 19.751 -2.631 1.00 45.43 C ATOM 921 CE1 PHE A 64 17.302 18.989 -4.879 1.00 2.15 C ATOM 922 CE2 PHE A 64 17.333 19.875 -2.658 1.00 42.01 C ATOM 923 CZ PHE A 64 16.629 19.495 -3.784 1.00 13.33 C ATOM 0 H PHE A 64 21.418 17.621 -1.726 1.00 14.24 H new ATOM 0 HA PHE A 64 20.717 17.128 -4.502 1.00 42.31 H new ATOM 0 HB2 PHE A 64 21.266 19.526 -2.753 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.320 19.705 -4.496 1.00 12.40 H new ATOM 0 HD1 PHE A 64 19.201 18.472 -5.704 1.00 43.22 H new ATOM 0 HD2 PHE A 64 19.256 20.052 -1.749 1.00 45.43 H new ATOM 0 HE1 PHE A 64 16.754 18.689 -5.760 1.00 2.15 H new ATOM 0 HE2 PHE A 64 16.809 20.268 -1.800 1.00 42.01 H new ATOM 0 HZ PHE A 64 15.554 19.593 -3.808 1.00 13.33 H new ATOM 933 N VAL A 65 23.362 16.446 -4.503 1.00 14.35 N ATOM 934 CA VAL A 65 24.708 16.287 -5.041 1.00 53.13 C ATOM 935 C VAL A 65 24.718 15.319 -6.218 1.00 62.20 C ATOM 936 O VAL A 65 23.672 14.825 -6.637 1.00 61.02 O ATOM 937 CB VAL A 65 25.685 15.778 -3.964 1.00 52.31 C ATOM 938 CG1 VAL A 65 25.887 16.832 -2.886 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.181 14.475 -3.361 1.00 75.10 C ATOM 0 H VAL A 65 22.915 15.574 -4.220 1.00 14.35 H new ATOM 0 HA VAL A 65 25.032 17.271 -5.381 1.00 53.13 H new ATOM 0 HB VAL A 65 26.649 15.585 -4.434 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.580 16.455 -2.134 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.296 17.737 -3.335 1.00 53.55 H new ATOM 0 HG13 VAL A 65 24.930 17.060 -2.416 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.883 14.130 -2.602 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.205 14.639 -2.904 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.093 13.722 -4.144 1.00 75.10 H new ATOM 949 N GLU A 66 25.908 15.052 -6.748 1.00 2.51 N ATOM 950 CA GLU A 66 26.054 14.143 -7.879 1.00 74.43 C ATOM 951 C GLU A 66 25.329 12.826 -7.615 1.00 23.21 C ATOM 952 O GLU A 66 24.639 12.299 -8.487 1.00 2.04 O ATOM 953 CB GLU A 66 27.534 13.875 -8.159 1.00 20.43 C ATOM 954 CG GLU A 66 28.318 15.123 -8.532 1.00 34.14 C ATOM 955 CD GLU A 66 28.267 15.421 -10.018 1.00 41.54 C ATOM 956 OE1 GLU A 66 28.724 14.569 -10.809 1.00 71.33 O ATOM 957 OE2 GLU A 66 27.772 16.505 -10.389 1.00 10.42 O1- ATOM 0 H GLU A 66 26.784 15.452 -6.412 1.00 2.51 H new ATOM 0 HA GLU A 66 25.606 14.616 -8.753 1.00 74.43 H new ATOM 0 HB2 GLU A 66 27.986 13.422 -7.277 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.617 13.149 -8.968 1.00 20.43 H new ATOM 0 HG2 GLU A 66 27.921 15.975 -7.980 1.00 34.14 H new ATOM 0 HG3 GLU A 66 29.357 15.000 -8.225 1.00 34.14 H new ATOM 964 N GLY A 67 25.492 12.299 -6.405 1.00 71.33 N ATOM 965 CA GLY A 67 24.848 11.049 -6.047 1.00 61.34 C ATOM 966 C GLY A 67 25.763 10.130 -5.262 1.00 70.12 C ATOM 967 O GLY A 67 25.336 9.078 -4.785 1.00 52.23 O ATOM 0 H GLY A 67 26.059 12.716 -5.666 1.00 71.33 H new ATOM 0 HA2 GLY A 67 23.956 11.259 -5.457 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.518 10.541 -6.953 1.00 61.34 H new ATOM 971 N ILE A 68 27.024 10.525 -5.130 1.00 31.34 N ATOM 972 CA ILE A 68 28.001 9.729 -4.398 1.00 24.21 C ATOM 973 C ILE A 68 27.701 9.728 -2.903 1.00 41.21 C ATOM 974 O ILE A 68 27.727 10.773 -2.254 1.00 52.24 O ATOM 975 CB ILE A 68 29.433 10.249 -4.623 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.709 10.419 -6.118 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.445 9.301 -3.997 1.00 43.11 C ATOM 978 CD1 ILE A 68 31.018 11.116 -6.416 1.00 24.51 C ATOM 0 H ILE A 68 27.394 11.392 -5.520 1.00 31.34 H new ATOM 0 HA ILE A 68 27.929 8.711 -4.781 1.00 24.21 H new ATOM 0 HB ILE A 68 29.530 11.222 -4.142 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.713 9.438 -6.592 1.00 53.05 H new ATOM 0 HG13 ILE A 68 28.894 10.987 -6.567 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.452 9.682 -4.164 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.259 9.226 -2.926 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.350 8.315 -4.452 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.147 11.202 -7.495 1.00 24.51 H new ATOM 0 HD12 ILE A 68 31.010 12.111 -5.971 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.842 10.538 -5.997 1.00 24.51 H new ATOM 990 N TYR A 69 27.418 8.548 -2.363 1.00 43.21 N ATOM 991 CA TYR A 69 27.113 8.410 -0.944 1.00 1.03 C ATOM 992 C TYR A 69 27.755 7.152 -0.368 1.00 42.24 C ATOM 993 O TYR A 69 27.805 6.110 -1.022 1.00 25.42 O ATOM 994 CB TYR A 69 25.599 8.368 -0.729 1.00 41.35 C ATOM 995 CG TYR A 69 24.869 9.548 -1.328 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.158 10.846 -0.926 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.890 9.366 -2.298 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.493 11.928 -1.470 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.221 10.441 -2.849 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.525 11.720 -2.431 1.00 22.23 C ATOM 1001 OH TYR A 69 22.861 12.795 -2.977 1.00 34.52 O ATOM 0 H TYR A 69 27.393 7.673 -2.887 1.00 43.21 H new ATOM 0 HA TYR A 69 27.524 9.275 -0.424 1.00 1.03 H new ATOM 0 HB2 TYR A 69 25.204 7.449 -1.163 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.393 8.329 0.341 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.916 11.012 -0.175 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.648 8.366 -2.627 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.729 12.930 -1.145 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.464 10.281 -3.603 1.00 73.53 H new ATOM 0 HH TYR A 69 22.212 12.477 -3.639 1.00 34.52 H new ATOM 1011 N LYS A 70 28.246 7.257 0.862 1.00 53.02 N ATOM 1012 CA LYS A 70 28.884 6.129 1.531 1.00 22.35 C ATOM 1013 C LYS A 70 28.234 5.860 2.884 1.00 44.40 C ATOM 1014 O LYS A 70 28.470 6.582 3.852 1.00 32.24 O ATOM 1015 CB LYS A 70 30.379 6.399 1.716 1.00 11.12 C ATOM 1016 CG LYS A 70 31.106 6.711 0.419 1.00 64.32 C ATOM 1017 CD LYS A 70 31.688 8.114 0.430 1.00 64.11 C ATOM 1018 CE LYS A 70 31.962 8.615 -0.980 1.00 50.51 C ATOM 1019 NZ LYS A 70 33.329 8.250 -1.442 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.214 8.113 1.416 1.00 53.02 H new ATOM 0 HA LYS A 70 28.755 5.247 0.904 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.506 7.235 2.404 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.842 5.529 2.182 1.00 11.12 H new ATOM 0 HG2 LYS A 70 31.905 5.986 0.265 1.00 64.32 H new ATOM 0 HG3 LYS A 70 30.417 6.609 -0.419 1.00 64.32 H new ATOM 0 HD2 LYS A 70 30.996 8.792 0.930 1.00 64.11 H new ATOM 0 HD3 LYS A 70 32.613 8.121 1.006 1.00 64.11 H new ATOM 0 HE2 LYS A 70 31.224 8.197 -1.664 1.00 50.51 H new ATOM 0 HE3 LYS A 70 31.846 9.698 -1.009 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 33.817 9.100 -1.789 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 33.866 7.842 -0.650 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 33.261 7.552 -2.210 1.00 34.32 H new ATOM 1033 N VAL A 71 27.415 4.814 2.945 1.00 65.12 N ATOM 1034 CA VAL A 71 26.733 4.448 4.180 1.00 43.30 C ATOM 1035 C VAL A 71 27.403 3.249 4.843 1.00 4.12 C ATOM 1036 O VAL A 71 27.595 2.209 4.216 1.00 32.12 O ATOM 1037 CB VAL A 71 25.250 4.118 3.926 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.568 3.693 5.217 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.538 5.310 3.305 1.00 13.51 C ATOM 0 H VAL A 71 27.208 4.205 2.153 1.00 65.12 H new ATOM 0 HA VAL A 71 26.797 5.310 4.844 1.00 43.30 H new ATOM 0 HB VAL A 71 25.197 3.286 3.224 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.521 3.464 5.017 1.00 72.13 H new ATOM 0 HG12 VAL A 71 25.063 2.808 5.616 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.630 4.502 5.945 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.491 5.059 3.132 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.600 6.163 3.980 1.00 13.51 H new ATOM 0 HG23 VAL A 71 25.012 5.563 2.356 1.00 13.51 H new ATOM 1049 N GLU A 72 27.755 3.404 6.116 1.00 21.11 N ATOM 1050 CA GLU A 72 28.404 2.334 6.863 1.00 23.21 C ATOM 1051 C GLU A 72 27.521 1.863 8.016 1.00 64.10 C ATOM 1052 O GLU A 72 26.937 2.673 8.736 1.00 4.11 O ATOM 1053 CB GLU A 72 29.756 2.805 7.402 1.00 23.23 C ATOM 1054 CG GLU A 72 29.654 3.585 8.703 1.00 11.22 C ATOM 1055 CD GLU A 72 30.800 4.561 8.888 1.00 2.12 C ATOM 1056 OE1 GLU A 72 31.224 5.175 7.886 1.00 13.44 O ATOM 1057 OE2 GLU A 72 31.272 4.712 10.034 1.00 15.25 O1- ATOM 0 H GLU A 72 27.602 4.259 6.650 1.00 21.11 H new ATOM 0 HA GLU A 72 28.564 1.497 6.184 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.398 1.938 7.557 1.00 23.23 H new ATOM 0 HB3 GLU A 72 30.240 3.429 6.651 1.00 23.23 H new ATOM 0 HG2 GLU A 72 28.710 4.130 8.723 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.637 2.887 9.540 1.00 11.22 H new ATOM 1064 N ILE A 73 27.428 0.548 8.183 1.00 64.22 N ATOM 1065 CA ILE A 73 26.618 -0.032 9.246 1.00 54.32 C ATOM 1066 C ILE A 73 27.484 -0.787 10.248 1.00 14.42 C ATOM 1067 O ILE A 73 28.379 -1.542 9.866 1.00 11.03 O ATOM 1068 CB ILE A 73 25.550 -0.988 8.684 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.635 -0.248 7.706 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.740 -1.602 9.815 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.554 -0.899 6.343 1.00 1.34 C ATOM 0 H ILE A 73 27.904 -0.136 7.595 1.00 64.22 H new ATOM 0 HA ILE A 73 26.121 0.797 9.751 1.00 54.32 H new ATOM 0 HB ILE A 73 26.051 -1.792 8.145 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.633 -0.190 8.132 1.00 2.33 H new ATOM 0 HG13 ILE A 73 24.992 0.775 7.590 1.00 2.33 H new ATOM 0 HG21 ILE A 73 23.989 -2.275 9.401 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.403 -2.160 10.476 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.246 -0.811 10.380 1.00 24.31 H new ATOM 0 HD11 ILE A 73 23.888 -0.321 5.703 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.548 -0.933 5.897 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.168 -1.913 6.446 1.00 1.34 H new ATOM 1083 N ASP A 74 27.212 -0.581 11.532 1.00 44.44 N ATOM 1084 CA ASP A 74 27.964 -1.245 12.590 1.00 10.11 C ATOM 1085 C ASP A 74 27.154 -2.383 13.201 1.00 13.42 C ATOM 1086 O ASP A 74 26.271 -2.157 14.029 1.00 64.24 O ATOM 1087 CB ASP A 74 28.355 -0.240 13.675 1.00 20.22 C ATOM 1088 CG ASP A 74 29.853 -0.021 13.749 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.371 0.806 12.968 1.00 11.04 O ATOM 1090 OD2 ASP A 74 30.508 -0.674 14.587 1.00 62.12 O1- ATOM 0 H ASP A 74 26.476 0.041 11.865 1.00 44.44 H new ATOM 0 HA ASP A 74 28.869 -1.664 12.150 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.861 0.712 13.480 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.994 -0.594 14.641 1.00 20.22 H new ATOM 1095 N THR A 75 27.458 -3.609 12.787 1.00 2.21 N ATOM 1096 CA THR A 75 26.757 -4.783 13.291 1.00 43.11 C ATOM 1097 C THR A 75 27.380 -5.280 14.591 1.00 52.03 C ATOM 1098 O THR A 75 26.733 -5.969 15.379 1.00 42.55 O ATOM 1099 CB THR A 75 26.765 -5.928 12.261 1.00 63.11 C ATOM 1100 OG1 THR A 75 28.062 -6.530 12.207 1.00 13.12 O ATOM 1101 CG2 THR A 75 26.380 -5.416 10.881 1.00 71.34 C ATOM 0 H THR A 75 28.186 -3.815 12.103 1.00 2.21 H new ATOM 0 HA THR A 75 25.727 -4.479 13.478 1.00 43.11 H new ATOM 0 HB THR A 75 26.033 -6.673 12.573 1.00 63.11 H new ATOM 0 HG1 THR A 75 28.058 -7.258 11.551 1.00 13.12 H new ATOM 0 HG21 THR A 75 26.392 -6.242 10.170 1.00 71.34 H new ATOM 0 HG22 THR A 75 25.380 -4.985 10.919 1.00 71.34 H new ATOM 0 HG23 THR A 75 27.092 -4.654 10.564 1.00 71.34 H new ATOM 1109 N LYS A 76 28.642 -4.925 14.809 1.00 11.51 N ATOM 1110 CA LYS A 76 29.354 -5.333 16.015 1.00 2.32 C ATOM 1111 C LYS A 76 28.554 -4.979 17.265 1.00 63.31 C ATOM 1112 O LYS A 76 28.515 -5.747 18.226 1.00 10.13 O ATOM 1113 CB LYS A 76 30.729 -4.664 16.070 1.00 70.33 C ATOM 1114 CG LYS A 76 30.667 -3.148 16.127 1.00 30.31 C ATOM 1115 CD LYS A 76 30.696 -2.641 17.559 1.00 0.13 C ATOM 1116 CE LYS A 76 32.120 -2.421 18.044 1.00 10.32 C ATOM 1117 NZ LYS A 76 32.538 -0.998 17.910 1.00 64.52 N1+ ATOM 0 H LYS A 76 29.193 -4.356 14.166 1.00 11.51 H new ATOM 0 HA LYS A 76 29.484 -6.415 15.983 1.00 2.32 H new ATOM 0 HB2 LYS A 76 31.267 -5.030 16.944 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.304 -4.963 15.194 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.507 -2.728 15.574 1.00 30.31 H new ATOM 0 HG3 LYS A 76 29.758 -2.802 15.636 1.00 30.31 H new ATOM 0 HD2 LYS A 76 30.139 -1.706 17.626 1.00 0.13 H new ATOM 0 HD3 LYS A 76 30.196 -3.358 18.210 1.00 0.13 H new ATOM 0 HE2 LYS A 76 32.199 -2.726 19.087 1.00 10.32 H new ATOM 0 HE3 LYS A 76 32.800 -3.054 17.474 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 33.514 -0.889 18.251 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 32.487 -0.714 16.911 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 31.905 -0.396 18.474 1.00 64.52 H new ATOM 1131 N SER A 77 27.917 -3.813 17.244 1.00 12.32 N ATOM 1132 CA SER A 77 27.120 -3.357 18.376 1.00 40.54 C ATOM 1133 C SER A 77 25.671 -3.815 18.241 1.00 72.24 C ATOM 1134 O SER A 77 24.897 -3.756 19.197 1.00 3.31 O ATOM 1135 CB SER A 77 27.176 -1.832 18.486 1.00 24.54 C ATOM 1136 OG SER A 77 27.260 -1.232 17.205 1.00 62.42 O ATOM 0 H SER A 77 27.937 -3.167 16.455 1.00 12.32 H new ATOM 0 HA SER A 77 27.538 -3.795 19.282 1.00 40.54 H new ATOM 0 HB2 SER A 77 26.288 -1.469 19.004 1.00 24.54 H new ATOM 0 HB3 SER A 77 28.038 -1.539 19.086 1.00 24.54 H new ATOM 0 HG SER A 77 27.293 -0.257 17.302 1.00 62.42 H new ATOM 1142 N TYR A 78 25.311 -4.272 17.046 1.00 33.14 N ATOM 1143 CA TYR A 78 23.955 -4.738 16.783 1.00 43.04 C ATOM 1144 C TYR A 78 23.739 -6.137 17.354 1.00 22.45 C ATOM 1145 O TYR A 78 22.675 -6.442 17.892 1.00 1.02 O ATOM 1146 CB TYR A 78 23.677 -4.741 15.279 1.00 4.32 C ATOM 1147 CG TYR A 78 22.339 -5.343 14.912 1.00 61.13 C ATOM 1148 CD1 TYR A 78 21.152 -4.746 15.319 1.00 50.52 C ATOM 1149 CD2 TYR A 78 22.262 -6.507 14.158 1.00 52.42 C ATOM 1150 CE1 TYR A 78 19.927 -5.293 14.986 1.00 70.55 C ATOM 1151 CE2 TYR A 78 21.042 -7.060 13.820 1.00 61.52 C ATOM 1152 CZ TYR A 78 19.878 -6.449 14.236 1.00 70.05 C ATOM 1153 OH TYR A 78 18.660 -6.997 13.902 1.00 34.34 O ATOM 0 H TYR A 78 25.940 -4.329 16.245 1.00 33.14 H new ATOM 0 HA TYR A 78 23.262 -4.054 17.273 1.00 43.04 H new ATOM 0 HB2 TYR A 78 23.719 -3.717 14.908 1.00 4.32 H new ATOM 0 HB3 TYR A 78 24.467 -5.296 14.773 1.00 4.32 H new ATOM 0 HD1 TYR A 78 21.187 -3.840 15.905 1.00 50.52 H new ATOM 0 HD2 TYR A 78 23.172 -6.988 13.830 1.00 52.42 H new ATOM 0 HE1 TYR A 78 19.013 -4.818 15.311 1.00 70.55 H new ATOM 0 HE2 TYR A 78 21.000 -7.966 13.233 1.00 61.52 H new ATOM 0 HH TYR A 78 18.612 -7.120 12.931 1.00 34.34 H new ATOM 1163 N TRP A 79 24.757 -6.981 17.233 1.00 42.11 N ATOM 1164 CA TRP A 79 24.680 -8.347 17.738 1.00 34.33 C ATOM 1165 C TRP A 79 24.906 -8.385 19.245 1.00 45.25 C ATOM 1166 O TRP A 79 24.471 -9.314 19.925 1.00 50.44 O ATOM 1167 CB TRP A 79 25.711 -9.231 17.033 1.00 11.24 C ATOM 1168 CG TRP A 79 27.101 -9.063 17.567 1.00 33.12 C ATOM 1169 CD1 TRP A 79 28.102 -8.308 17.023 1.00 13.21 C ATOM 1170 CD2 TRP A 79 27.645 -9.664 18.747 1.00 23.44 C ATOM 1171 NE1 TRP A 79 29.235 -8.404 17.795 1.00 13.32 N ATOM 1172 CE2 TRP A 79 28.980 -9.229 18.859 1.00 40.35 C ATOM 1173 CE3 TRP A 79 27.134 -10.525 19.721 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 29.808 -9.628 19.905 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 27.957 -10.921 20.759 1.00 22.15 C ATOM 1176 CH2 TRP A 79 29.281 -10.472 20.844 1.00 55.42 C ATOM 0 H TRP A 79 25.645 -6.744 16.790 1.00 42.11 H new ATOM 0 HA TRP A 79 23.680 -8.729 17.530 1.00 34.33 H new ATOM 0 HB2 TRP A 79 25.414 -10.275 17.134 1.00 11.24 H new ATOM 0 HB3 TRP A 79 25.708 -9.001 15.968 1.00 11.24 H new ATOM 0 HD1 TRP A 79 28.015 -7.722 16.120 1.00 13.21 H new ATOM 0 HE1 TRP A 79 30.122 -7.937 17.607 1.00 13.32 H new ATOM 0 HE3 TRP A 79 26.114 -10.875 19.664 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 30.829 -9.284 19.973 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 27.573 -11.588 21.517 1.00 22.15 H new ATOM 0 HH2 TRP A 79 29.899 -10.799 21.668 1.00 55.42 H new ATOM 1187 N LYS A 80 25.588 -7.369 19.762 1.00 50.41 N ATOM 1188 CA LYS A 80 25.870 -7.284 21.190 1.00 54.32 C ATOM 1189 C LYS A 80 24.646 -6.798 21.959 1.00 54.00 C ATOM 1190 O LYS A 80 24.553 -6.975 23.173 1.00 50.04 O ATOM 1191 CB LYS A 80 27.051 -6.343 21.443 1.00 61.21 C ATOM 1192 CG LYS A 80 26.645 -4.890 21.611 1.00 73.40 C ATOM 1193 CD LYS A 80 26.491 -4.520 23.077 1.00 71.12 C ATOM 1194 CE LYS A 80 27.817 -4.096 23.688 1.00 24.41 C ATOM 1195 NZ LYS A 80 27.710 -3.891 25.159 1.00 51.34 N1+ ATOM 0 H LYS A 80 25.956 -6.592 19.213 1.00 50.41 H new ATOM 0 HA LYS A 80 26.126 -8.283 21.544 1.00 54.32 H new ATOM 0 HB2 LYS A 80 27.580 -6.670 22.338 1.00 61.21 H new ATOM 0 HB3 LYS A 80 27.752 -6.422 20.612 1.00 61.21 H new ATOM 0 HG2 LYS A 80 27.394 -4.246 21.149 1.00 73.40 H new ATOM 0 HG3 LYS A 80 25.705 -4.711 21.089 1.00 73.40 H new ATOM 0 HD2 LYS A 80 25.769 -3.709 23.175 1.00 71.12 H new ATOM 0 HD3 LYS A 80 26.091 -5.371 23.628 1.00 71.12 H new ATOM 0 HE2 LYS A 80 28.571 -4.855 23.481 1.00 24.41 H new ATOM 0 HE3 LYS A 80 28.156 -3.173 23.217 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 28.635 -3.603 25.538 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 27.009 -3.149 25.356 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 27.412 -4.778 25.612 1.00 51.34 H new ATOM 1209 N ALA A 81 23.709 -6.185 21.243 1.00 25.51 N ATOM 1210 CA ALA A 81 22.489 -5.677 21.858 1.00 23.43 C ATOM 1211 C ALA A 81 21.425 -6.766 21.951 1.00 74.11 C ATOM 1212 O ALA A 81 20.775 -6.926 22.985 1.00 11.21 O ATOM 1213 CB ALA A 81 21.959 -4.485 21.074 1.00 4.11 C ATOM 0 H ALA A 81 23.771 -6.028 20.237 1.00 25.51 H new ATOM 0 HA ALA A 81 22.730 -5.354 22.871 1.00 23.43 H new ATOM 0 HB1 ALA A 81 21.048 -4.116 21.545 1.00 4.11 H new ATOM 0 HB2 ALA A 81 22.708 -3.694 21.064 1.00 4.11 H new ATOM 0 HB3 ALA A 81 21.741 -4.791 20.051 1.00 4.11 H new ATOM 1219 N LEU A 82 21.253 -7.512 20.865 1.00 72.45 N ATOM 1220 CA LEU A 82 20.268 -8.586 20.824 1.00 71.44 C ATOM 1221 C LEU A 82 20.931 -9.942 21.043 1.00 25.04 C ATOM 1222 O LEU A 82 20.288 -10.985 20.929 1.00 54.03 O ATOM 1223 CB LEU A 82 19.530 -8.577 19.484 1.00 34.13 C ATOM 1224 CG LEU A 82 18.772 -7.294 19.143 1.00 12.53 C ATOM 1225 CD1 LEU A 82 18.045 -6.762 20.368 1.00 33.35 C ATOM 1226 CD2 LEU A 82 19.724 -6.244 18.588 1.00 33.50 C ATOM 0 H LEU A 82 21.783 -7.392 20.002 1.00 72.45 H new ATOM 0 HA LEU A 82 19.551 -8.419 21.628 1.00 71.44 H new ATOM 0 HB2 LEU A 82 20.254 -8.769 18.692 1.00 34.13 H new ATOM 0 HB3 LEU A 82 18.822 -9.406 19.476 1.00 34.13 H new ATOM 0 HG LEU A 82 18.031 -7.525 18.378 1.00 12.53 H new ATOM 0 HD11 LEU A 82 17.511 -5.849 20.106 1.00 33.35 H new ATOM 0 HD12 LEU A 82 17.334 -7.509 20.722 1.00 33.35 H new ATOM 0 HD13 LEU A 82 18.768 -6.547 21.155 1.00 33.35 H new ATOM 0 HD21 LEU A 82 19.167 -5.337 18.351 1.00 33.50 H new ATOM 0 HD22 LEU A 82 20.488 -6.017 19.331 1.00 33.50 H new ATOM 0 HD23 LEU A 82 20.199 -6.625 17.684 1.00 33.50 H new ATOM 1238 N GLY A 83 22.222 -9.919 21.361 1.00 74.52 N ATOM 1239 CA GLY A 83 22.951 -11.153 21.593 1.00 61.44 C ATOM 1240 C GLY A 83 22.878 -12.101 20.413 1.00 64.05 C ATOM 1241 O GLY A 83 22.629 -13.295 20.582 1.00 12.21 O ATOM 0 H GLY A 83 22.776 -9.068 21.462 1.00 74.52 H new ATOM 0 HA2 GLY A 83 23.995 -10.920 21.804 1.00 61.44 H new ATOM 0 HA3 GLY A 83 22.550 -11.648 22.478 1.00 61.44 H new ATOM 1245 N ILE A 84 23.093 -11.568 19.214 1.00 55.22 N ATOM 1246 CA ILE A 84 23.050 -12.375 18.002 1.00 13.14 C ATOM 1247 C ILE A 84 24.427 -12.937 17.665 1.00 55.44 C ATOM 1248 O ILE A 84 25.450 -12.375 18.056 1.00 14.52 O ATOM 1249 CB ILE A 84 22.533 -11.561 16.801 1.00 32.24 C ATOM 1250 CG1 ILE A 84 21.289 -10.763 17.196 1.00 51.22 C ATOM 1251 CG2 ILE A 84 22.229 -12.480 15.628 1.00 0.21 C ATOM 1252 CD1 ILE A 84 20.126 -11.630 17.626 1.00 63.44 C ATOM 0 H ILE A 84 23.299 -10.581 19.057 1.00 55.22 H new ATOM 0 HA ILE A 84 22.362 -13.198 18.196 1.00 13.14 H new ATOM 0 HB ILE A 84 23.310 -10.860 16.495 1.00 32.24 H new ATOM 0 HG12 ILE A 84 21.546 -10.084 18.009 1.00 51.22 H new ATOM 0 HG13 ILE A 84 20.980 -10.147 16.352 1.00 51.22 H new ATOM 0 HG21 ILE A 84 21.865 -11.889 14.788 1.00 0.21 H new ATOM 0 HG22 ILE A 84 23.137 -13.007 15.334 1.00 0.21 H new ATOM 0 HG23 ILE A 84 21.468 -13.203 15.920 1.00 0.21 H new ATOM 0 HD11 ILE A 84 19.279 -10.997 17.892 1.00 63.44 H new ATOM 0 HD12 ILE A 84 19.842 -12.291 16.807 1.00 63.44 H new ATOM 0 HD13 ILE A 84 20.417 -12.227 18.490 1.00 63.44 H new ATOM 1264 N SER A 85 24.446 -14.048 16.937 1.00 21.13 N ATOM 1265 CA SER A 85 25.697 -14.688 16.549 1.00 50.52 C ATOM 1266 C SER A 85 26.652 -13.677 15.921 1.00 44.03 C ATOM 1267 O SER A 85 26.249 -12.611 15.454 1.00 31.33 O ATOM 1268 CB SER A 85 25.429 -15.830 15.568 1.00 54.22 C ATOM 1269 OG SER A 85 26.333 -15.790 14.478 1.00 53.22 O ATOM 0 H SER A 85 23.608 -14.524 16.603 1.00 21.13 H new ATOM 0 HA SER A 85 26.162 -15.093 17.448 1.00 50.52 H new ATOM 0 HB2 SER A 85 25.520 -16.786 16.084 1.00 54.22 H new ATOM 0 HB3 SER A 85 24.406 -15.763 15.198 1.00 54.22 H new ATOM 0 HG SER A 85 26.141 -16.531 13.867 1.00 53.22 H new ATOM 1365 N GLU A 92 28.738 -2.325 3.662 1.00 73.32 N ATOM 1366 CA GLU A 92 28.742 -0.911 3.308 1.00 2.25 C ATOM 1367 C GLU A 92 28.193 -0.701 1.899 1.00 25.30 C ATOM 1368 O GLU A 92 28.112 -1.639 1.106 1.00 13.50 O ATOM 1369 CB GLU A 92 30.160 -0.342 3.404 1.00 43.31 C ATOM 1370 CG GLU A 92 31.216 -1.231 2.770 1.00 22.11 C ATOM 1371 CD GLU A 92 31.060 -1.340 1.265 1.00 21.31 C ATOM 1372 OE1 GLU A 92 31.007 -0.286 0.597 1.00 61.05 O ATOM 1373 OE2 GLU A 92 30.992 -2.478 0.756 1.00 32.20 O1- ATOM 0 HA GLU A 92 28.098 -0.385 4.013 1.00 2.25 H new ATOM 0 HB2 GLU A 92 30.184 0.636 2.923 1.00 43.31 H new ATOM 0 HB3 GLU A 92 30.410 -0.187 4.454 1.00 43.31 H new ATOM 0 HG2 GLU A 92 32.205 -0.836 3.001 1.00 22.11 H new ATOM 0 HG3 GLU A 92 31.160 -2.226 3.210 1.00 22.11 H new ATOM 1380 N VAL A 93 27.817 0.537 1.596 1.00 70.21 N ATOM 1381 CA VAL A 93 27.276 0.871 0.284 1.00 61.32 C ATOM 1382 C VAL A 93 27.953 2.111 -0.290 1.00 43.24 C ATOM 1383 O VAL A 93 27.756 3.223 0.200 1.00 3.54 O ATOM 1384 CB VAL A 93 25.756 1.113 0.348 1.00 40.32 C ATOM 1385 CG1 VAL A 93 25.212 1.466 -1.028 1.00 24.13 C ATOM 1386 CG2 VAL A 93 25.046 -0.107 0.915 1.00 41.15 C ATOM 0 H VAL A 93 27.877 1.325 2.241 1.00 70.21 H new ATOM 0 HA VAL A 93 27.473 0.019 -0.366 1.00 61.32 H new ATOM 0 HB VAL A 93 25.568 1.956 1.013 1.00 40.32 H new ATOM 0 HG11 VAL A 93 24.137 1.633 -0.962 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.699 2.372 -1.390 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.410 0.646 -1.719 1.00 24.13 H new ATOM 0 HG21 VAL A 93 23.973 0.081 0.953 1.00 41.15 H new ATOM 0 HG22 VAL A 93 25.240 -0.970 0.278 1.00 41.15 H new ATOM 0 HG23 VAL A 93 25.415 -0.308 1.921 1.00 41.15 H new ATOM 1396 N VAL A 94 28.752 1.912 -1.334 1.00 55.22 N ATOM 1397 CA VAL A 94 29.458 3.014 -1.977 1.00 54.44 C ATOM 1398 C VAL A 94 29.230 3.007 -3.484 1.00 72.33 C ATOM 1399 O VAL A 94 29.740 2.143 -4.196 1.00 31.22 O ATOM 1400 CB VAL A 94 30.971 2.951 -1.697 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.693 4.087 -2.404 1.00 44.32 C ATOM 1402 CG2 VAL A 94 31.238 2.988 -0.200 1.00 32.44 C ATOM 0 H VAL A 94 28.926 0.998 -1.752 1.00 55.22 H new ATOM 0 HA VAL A 94 29.057 3.936 -1.556 1.00 54.44 H new ATOM 0 HB VAL A 94 31.356 2.009 -2.088 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.761 4.026 -2.194 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.529 4.009 -3.479 1.00 44.32 H new ATOM 0 HG13 VAL A 94 31.307 5.042 -2.046 1.00 44.32 H new ATOM 0 HG21 VAL A 94 32.312 2.943 -0.021 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.839 3.912 0.218 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.754 2.136 0.277 1.00 32.44 H new ATOM 1412 N PHE A 95 28.460 3.978 -3.965 1.00 74.21 N ATOM 1413 CA PHE A 95 28.163 4.084 -5.389 1.00 3.42 C ATOM 1414 C PHE A 95 28.436 5.497 -5.897 1.00 14.12 C ATOM 1415 O PHE A 95 28.312 6.472 -5.155 1.00 41.52 O ATOM 1416 CB PHE A 95 26.705 3.706 -5.657 1.00 1.11 C ATOM 1417 CG PHE A 95 26.486 2.226 -5.794 1.00 21.10 C ATOM 1418 CD1 PHE A 95 26.666 1.595 -7.014 1.00 70.40 C ATOM 1419 CD2 PHE A 95 26.099 1.466 -4.702 1.00 44.02 C ATOM 1420 CE1 PHE A 95 26.464 0.234 -7.142 1.00 25.12 C ATOM 1421 CE2 PHE A 95 25.896 0.105 -4.824 1.00 24.42 C ATOM 1422 CZ PHE A 95 26.079 -0.512 -6.046 1.00 43.33 C ATOM 0 H PHE A 95 28.031 4.702 -3.390 1.00 74.21 H new ATOM 0 HA PHE A 95 28.814 3.392 -5.923 1.00 3.42 H new ATOM 0 HB2 PHE A 95 26.085 4.084 -4.844 1.00 1.11 H new ATOM 0 HB3 PHE A 95 26.371 4.201 -6.569 1.00 1.11 H new ATOM 0 HD1 PHE A 95 26.968 2.173 -7.875 1.00 70.40 H new ATOM 0 HD2 PHE A 95 25.954 1.943 -3.744 1.00 44.02 H new ATOM 0 HE1 PHE A 95 26.607 -0.246 -8.099 1.00 25.12 H new ATOM 0 HE2 PHE A 95 25.595 -0.476 -3.965 1.00 24.42 H new ATOM 0 HZ PHE A 95 25.921 -1.576 -6.144 1.00 43.33 H new ATOM 1432 N THR A 96 28.809 5.601 -7.169 1.00 44.40 N ATOM 1433 CA THR A 96 29.100 6.892 -7.777 1.00 34.31 C ATOM 1434 C THR A 96 28.144 7.188 -8.927 1.00 25.23 C ATOM 1435 O THR A 96 27.765 6.290 -9.678 1.00 11.30 O ATOM 1436 CB THR A 96 30.548 6.953 -8.301 1.00 71.34 C ATOM 1437 OG1 THR A 96 30.745 8.152 -9.058 1.00 53.43 O ATOM 1438 CG2 THR A 96 30.861 5.742 -9.167 1.00 41.12 C ATOM 0 H THR A 96 28.916 4.805 -7.798 1.00 44.40 H new ATOM 0 HA THR A 96 28.970 7.643 -6.998 1.00 34.31 H new ATOM 0 HB THR A 96 31.222 6.951 -7.444 1.00 71.34 H new ATOM 0 HG1 THR A 96 31.668 8.184 -9.386 1.00 53.43 H new ATOM 0 HG21 THR A 96 31.888 5.807 -9.526 1.00 41.12 H new ATOM 0 HG22 THR A 96 30.739 4.833 -8.579 1.00 41.12 H new ATOM 0 HG23 THR A 96 30.181 5.718 -10.018 1.00 41.12 H new ATOM 1446 N ALA A 97 27.757 8.452 -9.058 1.00 2.00 N ATOM 1447 CA ALA A 97 26.846 8.866 -10.118 1.00 54.14 C ATOM 1448 C ALA A 97 27.586 9.041 -11.440 1.00 75.12 C ATOM 1449 O ALA A 97 28.800 9.234 -11.462 1.00 3.52 O ATOM 1450 CB ALA A 97 26.138 10.157 -9.733 1.00 3.33 C ATOM 0 H ALA A 97 28.060 9.207 -8.443 1.00 2.00 H new ATOM 0 HA ALA A 97 26.101 8.081 -10.249 1.00 54.14 H new ATOM 0 HB1 ALA A 97 25.461 10.454 -10.534 1.00 3.33 H new ATOM 0 HB2 ALA A 97 25.569 10.001 -8.817 1.00 3.33 H new ATOM 0 HB3 ALA A 97 26.876 10.943 -9.572 1.00 3.33 H new ATOM 1562 N TYR A 105 17.441 5.008 -4.763 1.00 3.31 N ATOM 1563 CA TYR A 105 18.400 5.744 -3.948 1.00 51.11 C ATOM 1564 C TYR A 105 18.361 5.270 -2.498 1.00 4.42 C ATOM 1565 O TYR A 105 18.699 6.016 -1.578 1.00 2.22 O ATOM 1566 CB TYR A 105 18.111 7.245 -4.013 1.00 3.13 C ATOM 1567 CG TYR A 105 18.157 7.810 -5.415 1.00 74.50 C ATOM 1568 CD1 TYR A 105 19.362 8.190 -5.993 1.00 22.34 C ATOM 1569 CD2 TYR A 105 16.995 7.963 -6.162 1.00 12.00 C ATOM 1570 CE1 TYR A 105 19.408 8.707 -7.273 1.00 51.10 C ATOM 1571 CE2 TYR A 105 17.032 8.478 -7.443 1.00 50.15 C ATOM 1572 CZ TYR A 105 18.240 8.849 -7.994 1.00 33.34 C ATOM 1573 OH TYR A 105 18.282 9.362 -9.270 1.00 22.10 O ATOM 0 HA TYR A 105 19.397 5.555 -4.346 1.00 51.11 H new ATOM 0 HB2 TYR A 105 17.127 7.436 -3.585 1.00 3.13 H new ATOM 0 HB3 TYR A 105 18.836 7.773 -3.393 1.00 3.13 H new ATOM 0 HD1 TYR A 105 20.278 8.079 -5.432 1.00 22.34 H new ATOM 0 HD2 TYR A 105 16.047 7.674 -5.733 1.00 12.00 H new ATOM 0 HE1 TYR A 105 20.353 8.999 -7.707 1.00 51.10 H new ATOM 0 HE2 TYR A 105 16.120 8.589 -8.010 1.00 50.15 H new ATOM 0 HH TYR A 105 17.375 9.395 -9.639 1.00 22.10 H new ATOM 1583 N THR A 106 17.945 4.023 -2.302 1.00 40.24 N ATOM 1584 CA THR A 106 17.860 3.447 -0.966 1.00 32.41 C ATOM 1585 C THR A 106 19.014 2.486 -0.707 1.00 71.02 C ATOM 1586 O THR A 106 19.394 1.706 -1.581 1.00 75.23 O ATOM 1587 CB THR A 106 16.529 2.700 -0.759 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.430 3.603 -0.923 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.471 2.069 0.623 1.00 12.31 C ATOM 0 H THR A 106 17.662 3.392 -3.052 1.00 40.24 H new ATOM 0 HA THR A 106 17.916 4.276 -0.261 1.00 32.41 H new ATOM 0 HB THR A 106 16.463 1.908 -1.505 1.00 75.32 H new ATOM 0 HG1 THR A 106 14.587 3.120 -0.791 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.522 1.547 0.745 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.292 1.360 0.734 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.558 2.847 1.382 1.00 12.31 H new ATOM 1597 N ILE A 107 19.569 2.546 0.499 1.00 54.05 N ATOM 1598 CA ILE A 107 20.679 1.678 0.873 1.00 74.20 C ATOM 1599 C ILE A 107 20.177 0.343 1.412 1.00 63.32 C ATOM 1600 O ILE A 107 19.651 0.268 2.522 1.00 31.52 O ATOM 1601 CB ILE A 107 21.579 2.341 1.933 1.00 44.44 C ATOM 1602 CG1 ILE A 107 22.226 3.606 1.366 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.642 1.364 2.411 1.00 44.24 C ATOM 1604 CD1 ILE A 107 21.482 4.875 1.717 1.00 32.11 C ATOM 0 H ILE A 107 19.268 3.186 1.234 1.00 54.05 H new ATOM 0 HA ILE A 107 21.262 1.505 -0.031 1.00 74.20 H new ATOM 0 HB ILE A 107 20.963 2.623 2.787 1.00 44.44 H new ATOM 0 HG12 ILE A 107 23.248 3.679 1.738 1.00 42.14 H new ATOM 0 HG13 ILE A 107 22.287 3.518 0.281 1.00 42.14 H new ATOM 0 HG21 ILE A 107 23.270 1.847 3.160 1.00 44.24 H new ATOM 0 HG22 ILE A 107 22.162 0.490 2.850 1.00 44.24 H new ATOM 0 HG23 ILE A 107 23.257 1.054 1.566 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.998 5.731 1.282 1.00 32.11 H new ATOM 0 HD12 ILE A 107 20.467 4.823 1.322 1.00 32.11 H new ATOM 0 HD13 ILE A 107 21.444 4.987 2.801 1.00 32.11 H new ATOM 1616 N ALA A 108 20.343 -0.709 0.618 1.00 21.23 N ATOM 1617 CA ALA A 108 19.910 -2.043 1.016 1.00 2.35 C ATOM 1618 C ALA A 108 21.038 -2.803 1.707 1.00 63.45 C ATOM 1619 O ALA A 108 22.033 -3.161 1.079 1.00 51.45 O ATOM 1620 CB ALA A 108 19.412 -2.820 -0.194 1.00 32.14 C ATOM 0 H ALA A 108 20.774 -0.664 -0.305 1.00 21.23 H new ATOM 0 HA ALA A 108 19.091 -1.935 1.727 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.092 -3.814 0.118 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.571 -2.293 -0.644 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.216 -2.911 -0.924 1.00 32.14 H new ATOM 1626 N ALA A 109 20.874 -3.044 3.004 1.00 63.22 N ATOM 1627 CA ALA A 109 21.878 -3.762 3.780 1.00 54.44 C ATOM 1628 C ALA A 109 21.261 -4.951 4.509 1.00 42.04 C ATOM 1629 O ALA A 109 20.378 -4.784 5.350 1.00 35.23 O ATOM 1630 CB ALA A 109 22.551 -2.823 4.770 1.00 2.42 C ATOM 0 H ALA A 109 20.056 -2.753 3.539 1.00 63.22 H new ATOM 0 HA ALA A 109 22.631 -4.144 3.090 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.298 -3.373 5.343 1.00 2.42 H new ATOM 0 HB2 ALA A 109 23.034 -2.010 4.229 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.803 -2.413 5.449 1.00 2.42 H new ATOM 1636 N MET A 110 21.731 -6.149 4.182 1.00 0.21 N ATOM 1637 CA MET A 110 21.225 -7.366 4.807 1.00 34.20 C ATOM 1638 C MET A 110 22.273 -7.978 5.732 1.00 44.24 C ATOM 1639 O MET A 110 23.408 -8.225 5.323 1.00 31.10 O ATOM 1640 CB MET A 110 20.815 -8.381 3.739 1.00 34.11 C ATOM 1641 CG MET A 110 19.542 -8.004 2.999 1.00 44.03 C ATOM 1642 SD MET A 110 18.859 -9.375 2.048 1.00 11.42 S ATOM 1643 CE MET A 110 17.942 -10.244 3.318 1.00 12.22 C ATOM 0 H MET A 110 22.462 -6.304 3.488 1.00 0.21 H new ATOM 0 HA MET A 110 20.350 -7.103 5.402 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.626 -8.486 3.019 1.00 34.11 H new ATOM 0 HB3 MET A 110 20.678 -9.355 4.209 1.00 34.11 H new ATOM 0 HG2 MET A 110 18.798 -7.659 3.717 1.00 44.03 H new ATOM 0 HG3 MET A 110 19.750 -7.170 2.329 1.00 44.03 H new ATOM 0 HE1 MET A 110 18.230 -11.295 3.319 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.164 -9.806 4.291 1.00 12.22 H new ATOM 0 HE3 MET A 110 16.874 -10.160 3.117 1.00 12.22 H new ATOM 1653 N LEU A 111 21.885 -8.220 6.979 1.00 51.13 N ATOM 1654 CA LEU A 111 22.792 -8.804 7.962 1.00 21.14 C ATOM 1655 C LEU A 111 22.807 -10.325 7.852 1.00 54.03 C ATOM 1656 O LEU A 111 22.419 -11.029 8.785 1.00 63.05 O ATOM 1657 CB LEU A 111 22.380 -8.387 9.375 1.00 12.44 C ATOM 1658 CG LEU A 111 22.327 -6.883 9.643 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.520 -6.186 9.008 1.00 71.33 C ATOM 1660 CD2 LEU A 111 21.024 -6.294 9.122 1.00 62.42 C ATOM 0 H LEU A 111 20.950 -8.021 7.334 1.00 51.13 H new ATOM 0 HA LEU A 111 23.797 -8.434 7.759 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.396 -8.808 9.584 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.076 -8.837 10.083 1.00 12.44 H new ATOM 0 HG LEU A 111 22.370 -6.723 10.720 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.466 -5.116 9.209 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.442 -6.588 9.428 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.509 -6.354 7.931 1.00 71.33 H new ATOM 0 HD21 LEU A 111 21.004 -5.223 9.321 1.00 62.42 H new ATOM 0 HD22 LEU A 111 20.951 -6.465 8.048 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.182 -6.772 9.623 1.00 62.42 H new ATOM 1672 N SER A 112 23.262 -10.826 6.708 1.00 54.12 N ATOM 1673 CA SER A 112 23.327 -12.264 6.476 1.00 12.24 C ATOM 1674 C SER A 112 24.181 -12.948 7.539 1.00 22.43 C ATOM 1675 O SER A 112 24.996 -12.320 8.216 1.00 1.40 O ATOM 1676 CB SER A 112 23.897 -12.552 5.086 1.00 43.45 C ATOM 1677 OG SER A 112 22.863 -12.657 4.122 1.00 13.22 O ATOM 0 H SER A 112 23.591 -10.257 5.928 1.00 54.12 H new ATOM 0 HA SER A 112 22.314 -12.663 6.536 1.00 12.24 H new ATOM 0 HB2 SER A 112 24.586 -11.757 4.800 1.00 43.45 H new ATOM 0 HB3 SER A 112 24.472 -13.478 5.110 1.00 43.45 H new ATOM 0 HG SER A 112 23.254 -12.840 3.242 1.00 13.22 H new