USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=23 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 Set 1.1: A 35 LYS NZ :NH3+ -139:sc= 0.406 (180deg=-2.45!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -147:sc= -0.421 (180deg=-0.878) USER MOD Single : A 13 MET CE :methyl -132:sc= -0.862 (180deg=-3.61!) USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= -0.749 (180deg=-1.06) USER MOD Single : A 23 SER OG : rot 180:sc= -0.189 USER MOD Single : A 27 ASN : amide:sc= -3.42 K(o=-3.4,f=-4.2!) USER MOD Single : A 31 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-1.5) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.54! 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 112:sc= -0.152 USER MOD Single : A 50 SER OG : rot 180:sc=-0.00107 USER MOD Single : A 52 SER OG : rot -41:sc= 0.228 USER MOD Single : A 56 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=-0.13) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -134:sc= 0.00582 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.824 USER MOD Single : A 75 THR OG1 : rot -0:sc= 1.12 USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= -0.111 (180deg=-0.652) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 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= -0.0511 USER MOD Single : A 110 MET CE :methyl -123:sc= -0.656 (180deg=-7.63!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 11 14.128 10.926 -0.800 1.00 53.44 N ATOM 124 CA PRO A 11 14.851 10.447 -1.983 1.00 54.45 C ATOM 125 C PRO A 11 15.761 9.267 -1.666 1.00 45.03 C ATOM 126 O PRO A 11 15.939 8.367 -2.489 1.00 23.34 O ATOM 127 CB PRO A 11 15.678 11.662 -2.408 1.00 72.55 C ATOM 128 CG PRO A 11 15.856 12.457 -1.160 1.00 3.34 C ATOM 129 CD PRO A 11 14.604 12.248 -0.355 1.00 61.21 C ATOM 0 HA PRO A 11 14.174 10.084 -2.756 1.00 54.45 H new ATOM 0 HB2 PRO A 11 16.639 11.360 -2.825 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.165 12.241 -3.176 1.00 72.55 H new ATOM 0 HG2 PRO A 11 16.735 12.125 -0.608 1.00 3.34 H new ATOM 0 HG3 PRO A 11 16.002 13.513 -1.387 1.00 3.34 H new ATOM 0 HD2 PRO A 11 14.808 12.262 0.716 1.00 61.21 H new ATOM 0 HD3 PRO A 11 13.867 13.027 -0.549 1.00 61.21 H new ATOM 137 N LEU A 12 16.339 9.274 -0.469 1.00 63.12 N ATOM 138 CA LEU A 12 17.232 8.202 -0.043 1.00 52.33 C ATOM 139 C LEU A 12 16.739 7.564 1.252 1.00 2.43 C ATOM 140 O LEU A 12 16.302 8.258 2.168 1.00 13.02 O ATOM 141 CB LEU A 12 18.651 8.740 0.147 1.00 40.22 C ATOM 142 CG LEU A 12 19.608 7.845 0.936 1.00 11.33 C ATOM 143 CD1 LEU A 12 20.112 6.705 0.065 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.773 8.660 1.481 1.00 15.23 C ATOM 0 H LEU A 12 16.205 10.011 0.224 1.00 63.12 H new ATOM 0 HA LEU A 12 17.241 7.439 -0.821 1.00 52.33 H new ATOM 0 HB2 LEU A 12 19.084 8.922 -0.837 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.588 9.704 0.651 1.00 40.22 H new ATOM 0 HG LEU A 12 19.065 7.417 1.779 1.00 11.33 H new ATOM 0 HD11 LEU A 12 20.792 6.079 0.643 1.00 73.42 H new ATOM 0 HD12 LEU A 12 19.267 6.106 -0.275 1.00 73.42 H new ATOM 0 HD13 LEU A 12 20.639 7.112 -0.798 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.444 8.007 2.040 1.00 15.23 H new ATOM 0 HD22 LEU A 12 21.316 9.116 0.654 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.394 9.441 2.141 1.00 15.23 H new ATOM 156 N MET A 13 16.815 6.239 1.319 1.00 61.20 N ATOM 157 CA MET A 13 16.380 5.508 2.503 1.00 22.34 C ATOM 158 C MET A 13 17.323 4.347 2.802 1.00 2.51 C ATOM 159 O MET A 13 17.911 3.762 1.893 1.00 53.15 O ATOM 160 CB MET A 13 14.954 4.986 2.312 1.00 74.34 C ATOM 161 CG MET A 13 14.823 3.983 1.177 1.00 62.10 C ATOM 162 SD MET A 13 13.570 2.728 1.503 1.00 31.34 S ATOM 163 CE MET A 13 14.318 1.851 2.875 1.00 60.31 C ATOM 0 H MET A 13 17.174 5.650 0.568 1.00 61.20 H new ATOM 0 HA MET A 13 16.397 6.194 3.350 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.619 4.520 3.239 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.290 5.829 2.120 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.572 4.511 0.257 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.785 3.497 1.013 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.274 0.778 2.688 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.358 2.159 2.980 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.777 2.082 3.793 1.00 60.31 H new ATOM 173 N VAL A 14 17.463 4.019 4.083 1.00 21.22 N ATOM 174 CA VAL A 14 18.334 2.927 4.502 1.00 2.34 C ATOM 175 C VAL A 14 17.525 1.685 4.858 1.00 34.21 C ATOM 176 O VAL A 14 16.500 1.770 5.534 1.00 35.53 O ATOM 177 CB VAL A 14 19.196 3.330 5.713 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.042 2.156 6.180 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.071 4.526 5.369 1.00 44.55 C ATOM 0 H VAL A 14 16.984 4.494 4.848 1.00 21.22 H new ATOM 0 HA VAL A 14 18.988 2.702 3.659 1.00 2.34 H new ATOM 0 HB VAL A 14 18.534 3.617 6.530 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.644 2.459 7.036 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.391 1.331 6.468 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.698 1.835 5.371 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.673 4.797 6.236 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.727 4.270 4.537 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.440 5.369 5.087 1.00 44.55 H new ATOM 189 N LYS A 15 17.993 0.530 4.398 1.00 20.03 N ATOM 190 CA LYS A 15 17.316 -0.733 4.669 1.00 34.30 C ATOM 191 C LYS A 15 18.270 -1.737 5.308 1.00 62.02 C ATOM 192 O LYS A 15 19.181 -2.246 4.655 1.00 61.44 O ATOM 193 CB LYS A 15 16.740 -1.314 3.376 1.00 53.00 C ATOM 194 CG LYS A 15 16.170 -2.713 3.538 1.00 15.14 C ATOM 195 CD LYS A 15 14.953 -2.717 4.447 1.00 41.01 C ATOM 196 CE LYS A 15 15.314 -3.147 5.860 1.00 63.11 C ATOM 197 NZ LYS A 15 14.249 -3.987 6.474 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.839 0.442 3.835 1.00 20.03 H new ATOM 0 HA LYS A 15 16.502 -0.537 5.367 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.956 -0.652 3.008 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.522 -1.335 2.617 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.897 -3.111 2.561 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.934 -3.373 3.949 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.512 -1.721 4.470 1.00 41.01 H new ATOM 0 HD3 LYS A 15 14.198 -3.391 4.042 1.00 41.01 H new ATOM 0 HE2 LYS A 15 16.251 -3.704 5.842 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.481 -2.264 6.477 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.441 -4.104 7.489 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.326 -3.525 6.348 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.235 -4.920 6.015 1.00 53.54 H new ATOM 211 N VAL A 16 18.054 -2.018 6.590 1.00 25.51 N ATOM 212 CA VAL A 16 18.894 -2.962 7.318 1.00 72.30 C ATOM 213 C VAL A 16 18.059 -4.081 7.930 1.00 42.30 C ATOM 214 O VAL A 16 17.185 -3.834 8.762 1.00 53.32 O ATOM 215 CB VAL A 16 19.690 -2.261 8.433 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.493 -3.274 9.234 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.600 -1.191 7.848 1.00 21.20 C ATOM 0 H VAL A 16 17.305 -1.605 7.145 1.00 25.51 H new ATOM 0 HA VAL A 16 19.592 -3.387 6.597 1.00 72.30 H new ATOM 0 HB VAL A 16 18.984 -1.776 9.108 1.00 4.53 H new ATOM 0 HG11 VAL A 16 21.049 -2.760 10.018 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.816 -3.999 9.686 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.190 -3.790 8.574 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.155 -0.706 8.651 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.300 -1.650 7.150 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.998 -0.449 7.323 1.00 21.20 H new ATOM 227 N LEU A 17 18.333 -5.312 7.513 1.00 45.53 N ATOM 228 CA LEU A 17 17.607 -6.471 8.021 1.00 34.25 C ATOM 229 C LEU A 17 18.559 -7.630 8.301 1.00 35.30 C ATOM 230 O LEU A 17 19.585 -7.778 7.636 1.00 14.24 O ATOM 231 CB LEU A 17 16.537 -6.907 7.018 1.00 4.15 C ATOM 232 CG LEU A 17 17.016 -7.788 5.865 1.00 21.13 C ATOM 233 CD1 LEU A 17 16.544 -9.221 6.055 1.00 54.51 C ATOM 234 CD2 LEU A 17 16.530 -7.236 4.533 1.00 44.01 C ATOM 0 H LEU A 17 19.052 -5.534 6.825 1.00 45.53 H new ATOM 0 HA LEU A 17 17.125 -6.186 8.956 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.758 -7.444 7.559 1.00 4.15 H new ATOM 0 HB3 LEU A 17 16.076 -6.013 6.598 1.00 4.15 H new ATOM 0 HG LEU A 17 18.106 -7.784 5.860 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.895 -9.833 5.224 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.943 -9.615 6.990 1.00 54.51 H new ATOM 0 HD13 LEU A 17 15.455 -9.244 6.088 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.881 -7.877 3.724 1.00 44.01 H new ATOM 0 HD22 LEU A 17 15.440 -7.208 4.527 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.920 -6.228 4.393 1.00 44.01 H new ATOM 246 N ASP A 18 18.211 -8.448 9.288 1.00 35.22 N ATOM 247 CA ASP A 18 19.033 -9.595 9.655 1.00 62.01 C ATOM 248 C ASP A 18 18.841 -10.740 8.664 1.00 31.11 C ATOM 249 O ASP A 18 17.716 -11.164 8.400 1.00 73.51 O ATOM 250 CB ASP A 18 18.689 -10.066 11.069 1.00 12.00 C ATOM 251 CG ASP A 18 19.369 -9.233 12.137 1.00 12.43 C ATOM 252 OD1 ASP A 18 19.648 -8.044 11.875 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 19.623 -9.770 13.236 1.00 41.53 O ATOM 0 H ASP A 18 17.366 -8.338 9.848 1.00 35.22 H new ATOM 0 HA ASP A 18 20.078 -9.285 9.628 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.609 -10.022 11.211 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.984 -11.109 11.183 1.00 12.00 H new ATOM 258 N ALA A 19 19.947 -11.234 8.119 1.00 34.14 N ATOM 259 CA ALA A 19 19.901 -12.330 7.157 1.00 74.24 C ATOM 260 C ALA A 19 19.750 -13.674 7.864 1.00 42.11 C ATOM 261 O ALA A 19 19.696 -14.721 7.220 1.00 25.21 O ATOM 262 CB ALA A 19 21.152 -12.325 6.291 1.00 45.22 C ATOM 0 H ALA A 19 20.886 -10.894 8.326 1.00 34.14 H new ATOM 0 HA ALA A 19 19.030 -12.184 6.518 1.00 74.24 H new ATOM 0 HB1 ALA A 19 21.104 -13.148 5.578 1.00 45.22 H new ATOM 0 HB2 ALA A 19 21.217 -11.380 5.751 1.00 45.22 H new ATOM 0 HB3 ALA A 19 22.032 -12.443 6.923 1.00 45.22 H new ATOM 268 N VAL A 20 19.683 -13.635 9.191 1.00 34.04 N ATOM 269 CA VAL A 20 19.536 -14.850 9.983 1.00 21.35 C ATOM 270 C VAL A 20 18.074 -15.266 10.087 1.00 44.04 C ATOM 271 O VAL A 20 17.749 -16.452 10.021 1.00 43.12 O ATOM 272 CB VAL A 20 20.108 -14.665 11.402 1.00 5.35 C ATOM 273 CG1 VAL A 20 19.996 -15.959 12.195 1.00 34.41 C ATOM 274 CG2 VAL A 20 21.553 -14.193 11.336 1.00 3.13 C ATOM 0 H VAL A 20 19.728 -12.776 9.739 1.00 34.04 H new ATOM 0 HA VAL A 20 20.096 -15.632 9.471 1.00 21.35 H new ATOM 0 HB VAL A 20 19.524 -13.901 11.915 1.00 5.35 H new ATOM 0 HG11 VAL A 20 20.405 -15.810 13.194 1.00 34.41 H new ATOM 0 HG12 VAL A 20 18.948 -16.250 12.271 1.00 34.41 H new ATOM 0 HG13 VAL A 20 20.555 -16.746 11.688 1.00 34.41 H new ATOM 0 HG21 VAL A 20 21.941 -14.067 12.347 1.00 3.13 H new ATOM 0 HG22 VAL A 20 22.153 -14.932 10.806 1.00 3.13 H new ATOM 0 HG23 VAL A 20 21.601 -13.241 10.808 1.00 3.13 H new ATOM 284 N ARG A 21 17.194 -14.283 10.250 1.00 13.31 N ATOM 285 CA ARG A 21 15.765 -14.548 10.363 1.00 41.52 C ATOM 286 C ARG A 21 15.001 -13.913 9.205 1.00 40.44 C ATOM 287 O ARG A 21 13.901 -14.344 8.862 1.00 1.41 O ATOM 288 CB ARG A 21 15.230 -14.015 11.693 1.00 42.31 C ATOM 289 CG ARG A 21 16.159 -14.271 12.870 1.00 55.31 C ATOM 290 CD ARG A 21 16.970 -13.033 13.218 1.00 11.13 C ATOM 291 NE ARG A 21 16.433 -12.338 14.385 1.00 51.30 N ATOM 292 CZ ARG A 21 16.627 -12.742 15.636 1.00 13.52 C ATOM 293 NH1 ARG A 21 17.344 -13.830 15.881 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 16.106 -12.055 16.644 1.00 1.52 N ATOM 0 H ARG A 21 17.446 -13.296 10.307 1.00 13.31 H new ATOM 0 HA ARG A 21 15.617 -15.627 10.325 1.00 41.52 H new ATOM 0 HB2 ARG A 21 15.059 -12.942 11.603 1.00 42.31 H new ATOM 0 HB3 ARG A 21 14.263 -14.476 11.897 1.00 42.31 H new ATOM 0 HG2 ARG A 21 15.574 -14.580 13.736 1.00 55.31 H new ATOM 0 HG3 ARG A 21 16.833 -15.094 12.631 1.00 55.31 H new ATOM 0 HD2 ARG A 21 18.004 -13.319 13.410 1.00 11.13 H new ATOM 0 HD3 ARG A 21 16.980 -12.355 12.365 1.00 11.13 H new ATOM 0 HE ARG A 21 15.878 -11.496 14.231 1.00 51.30 H new ATOM 0 HH11 ARG A 21 17.748 -14.359 15.108 1.00 72.23 H new ATOM 0 HH12 ARG A 21 17.491 -14.138 16.842 1.00 72.23 H new ATOM 0 HH21 ARG A 21 15.556 -11.216 16.459 1.00 1.52 H new ATOM 0 HH22 ARG A 21 16.255 -12.366 17.604 1.00 1.52 H new ATOM 308 N GLY A 22 15.593 -12.883 8.605 1.00 74.32 N ATOM 309 CA GLY A 22 14.953 -12.205 7.493 1.00 71.21 C ATOM 310 C GLY A 22 14.142 -11.004 7.936 1.00 53.11 C ATOM 311 O GLY A 22 13.482 -10.359 7.121 1.00 34.42 O ATOM 0 H GLY A 22 16.504 -12.507 8.870 1.00 74.32 H new ATOM 0 HA2 GLY A 22 15.713 -11.884 6.781 1.00 71.21 H new ATOM 0 HA3 GLY A 22 14.303 -12.906 6.970 1.00 71.21 H new ATOM 315 N SER A 23 14.192 -10.702 9.229 1.00 51.51 N ATOM 316 CA SER A 23 13.451 -9.573 9.780 1.00 3.34 C ATOM 317 C SER A 23 14.331 -8.328 9.848 1.00 32.43 C ATOM 318 O SER A 23 15.558 -8.400 9.784 1.00 43.34 O ATOM 319 CB SER A 23 12.921 -9.914 11.174 1.00 71.44 C ATOM 320 OG SER A 23 13.598 -11.034 11.716 1.00 35.11 O ATOM 0 H SER A 23 14.738 -11.223 9.915 1.00 51.51 H new ATOM 0 HA SER A 23 12.608 -9.366 9.120 1.00 3.34 H new ATOM 0 HB2 SER A 23 13.045 -9.055 11.834 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.852 -10.122 11.120 1.00 71.44 H new ATOM 0 HG SER A 23 13.243 -11.231 12.608 1.00 35.11 H new ATOM 326 N PRO A 24 13.689 -7.158 9.983 1.00 34.11 N ATOM 327 CA PRO A 24 14.393 -5.875 10.064 1.00 75.01 C ATOM 328 C PRO A 24 15.160 -5.715 11.372 1.00 32.44 C ATOM 329 O PRO A 24 14.765 -6.256 12.404 1.00 65.23 O ATOM 330 CB PRO A 24 13.263 -4.845 9.978 1.00 55.43 C ATOM 331 CG PRO A 24 12.058 -5.563 10.480 1.00 2.33 C ATOM 332 CD PRO A 24 12.228 -6.998 10.066 1.00 25.13 C ATOM 0 HA PRO A 24 15.144 -5.772 9.280 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.481 -3.966 10.584 1.00 55.43 H new ATOM 0 HB3 PRO A 24 13.120 -4.499 8.954 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.976 -5.477 11.563 1.00 2.33 H new ATOM 0 HG3 PRO A 24 11.147 -5.140 10.056 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.790 -7.681 10.794 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.747 -7.200 9.109 1.00 25.13 H new ATOM 340 N ALA A 25 16.259 -4.970 11.321 1.00 41.01 N ATOM 341 CA ALA A 25 17.080 -4.738 12.503 1.00 63.44 C ATOM 342 C ALA A 25 16.653 -3.466 13.227 1.00 30.11 C ATOM 343 O ALA A 25 16.448 -2.425 12.603 1.00 75.14 O ATOM 344 CB ALA A 25 18.550 -4.660 12.117 1.00 64.11 C ATOM 0 H ALA A 25 16.601 -4.517 10.474 1.00 41.01 H new ATOM 0 HA ALA A 25 16.938 -5.577 13.184 1.00 63.44 H new ATOM 0 HB1 ALA A 25 19.152 -4.486 13.009 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.854 -5.597 11.651 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.699 -3.840 11.414 1.00 64.11 H new ATOM 350 N ILE A 26 16.521 -3.558 14.546 1.00 43.00 N ATOM 351 CA ILE A 26 16.118 -2.413 15.354 1.00 13.15 C ATOM 352 C ILE A 26 17.299 -1.854 16.141 1.00 11.44 C ATOM 353 O ILE A 26 18.103 -2.604 16.691 1.00 75.40 O ATOM 354 CB ILE A 26 14.992 -2.786 16.336 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.625 -2.520 15.703 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.142 -2.007 17.635 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.119 -1.112 15.928 1.00 11.12 C ATOM 0 H ILE A 26 16.687 -4.413 15.078 1.00 43.00 H new ATOM 0 HA ILE A 26 15.751 -1.653 14.665 1.00 13.15 H new ATOM 0 HB ILE A 26 15.065 -3.850 16.563 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.687 -2.708 14.631 1.00 52.34 H new ATOM 0 HG13 ILE A 26 12.902 -3.227 16.109 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.339 -2.282 18.319 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.103 -2.242 18.091 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.091 -0.938 17.426 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.146 -0.995 15.452 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.024 -0.926 16.998 1.00 11.12 H new ATOM 0 HD13 ILE A 26 13.822 -0.399 15.497 1.00 11.12 H new ATOM 369 N ASN A 27 17.395 -0.529 16.191 1.00 72.15 N ATOM 370 CA ASN A 27 18.477 0.132 16.912 1.00 74.24 C ATOM 371 C ASN A 27 19.827 -0.189 16.280 1.00 65.44 C ATOM 372 O ASN A 27 20.717 -0.736 16.933 1.00 74.45 O ATOM 373 CB ASN A 27 18.474 -0.294 18.381 1.00 42.11 C ATOM 374 CG ASN A 27 17.113 -0.129 19.028 1.00 53.35 C ATOM 375 OD1 ASN A 27 16.686 -0.966 19.824 1.00 33.42 O ATOM 376 ND2 ASN A 27 16.422 0.952 18.686 1.00 65.05 N ATOM 0 H ASN A 27 16.737 0.108 15.741 1.00 72.15 H new ATOM 0 HA ASN A 27 18.315 1.208 16.853 1.00 74.24 H new ATOM 0 HB2 ASN A 27 18.784 -1.336 18.455 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.208 0.297 18.929 1.00 42.11 H new ATOM 0 HD21 ASN A 27 15.498 1.115 19.087 1.00 65.05 H new ATOM 0 HD22 ASN A 27 16.815 1.620 18.022 1.00 65.05 H new ATOM 383 N VAL A 28 19.975 0.154 15.004 1.00 63.23 N ATOM 384 CA VAL A 28 21.218 -0.096 14.284 1.00 64.00 C ATOM 385 C VAL A 28 21.876 1.210 13.852 1.00 62.33 C ATOM 386 O VAL A 28 21.364 1.917 12.984 1.00 75.42 O ATOM 387 CB VAL A 28 20.979 -0.974 13.040 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.267 -1.140 12.248 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.414 -2.327 13.445 1.00 70.12 C ATOM 0 H VAL A 28 19.249 0.606 14.448 1.00 63.23 H new ATOM 0 HA VAL A 28 21.881 -0.623 14.970 1.00 64.00 H new ATOM 0 HB VAL A 28 20.249 -0.478 12.400 1.00 51.21 H new ATOM 0 HG11 VAL A 28 22.079 -1.763 11.373 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.625 -0.162 11.927 1.00 23.21 H new ATOM 0 HG13 VAL A 28 23.021 -1.614 12.876 1.00 23.21 H new ATOM 0 HG21 VAL A 28 20.251 -2.935 12.555 1.00 70.12 H new ATOM 0 HG22 VAL A 28 21.119 -2.833 14.105 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.467 -2.185 13.965 1.00 70.12 H new ATOM 399 N ALA A 29 23.013 1.524 14.463 1.00 51.31 N ATOM 400 CA ALA A 29 23.742 2.744 14.140 1.00 14.44 C ATOM 401 C ALA A 29 24.064 2.813 12.651 1.00 34.01 C ATOM 402 O ALA A 29 24.575 1.855 12.070 1.00 1.50 O ATOM 403 CB ALA A 29 25.020 2.830 14.962 1.00 51.41 C ATOM 0 H ALA A 29 23.449 0.950 15.185 1.00 51.31 H new ATOM 0 HA ALA A 29 23.106 3.594 14.388 1.00 14.44 H new ATOM 0 HB1 ALA A 29 25.554 3.746 14.710 1.00 51.41 H new ATOM 0 HB2 ALA A 29 24.770 2.836 16.023 1.00 51.41 H new ATOM 0 HB3 ALA A 29 25.652 1.970 14.743 1.00 51.41 H new ATOM 409 N VAL A 30 23.761 3.952 12.036 1.00 53.05 N ATOM 410 CA VAL A 30 24.018 4.147 10.615 1.00 30.12 C ATOM 411 C VAL A 30 24.567 5.542 10.340 1.00 13.12 C ATOM 412 O VAL A 30 24.008 6.541 10.795 1.00 14.35 O ATOM 413 CB VAL A 30 22.742 3.935 9.779 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.038 4.113 8.297 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.148 2.562 10.052 1.00 21.10 C ATOM 0 H VAL A 30 23.337 4.754 12.501 1.00 53.05 H new ATOM 0 HA VAL A 30 24.761 3.405 10.324 1.00 30.12 H new ATOM 0 HB VAL A 30 22.009 4.687 10.071 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.125 3.959 7.723 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.413 5.121 8.119 1.00 20.24 H new ATOM 0 HG13 VAL A 30 23.789 3.386 7.986 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.247 2.430 9.453 1.00 21.10 H new ATOM 0 HG22 VAL A 30 22.874 1.793 9.790 1.00 21.10 H new ATOM 0 HG23 VAL A 30 21.896 2.478 11.109 1.00 21.10 H new ATOM 425 N HIS A 31 25.666 5.605 9.595 1.00 64.03 N ATOM 426 CA HIS A 31 26.290 6.878 9.258 1.00 64.42 C ATOM 427 C HIS A 31 26.434 7.032 7.748 1.00 32.44 C ATOM 428 O HIS A 31 27.072 6.212 7.088 1.00 61.22 O ATOM 429 CB HIS A 31 27.661 6.990 9.927 1.00 31.03 C ATOM 430 CG HIS A 31 27.671 6.536 11.353 1.00 51.53 C ATOM 431 ND1 HIS A 31 27.667 5.206 11.720 1.00 72.45 N ATOM 432 CD2 HIS A 31 27.685 7.243 12.508 1.00 62.03 C ATOM 433 CE1 HIS A 31 27.678 5.116 13.038 1.00 20.24 C ATOM 434 NE2 HIS A 31 27.689 6.337 13.541 1.00 41.10 N ATOM 0 H HIS A 31 26.143 4.788 9.213 1.00 64.03 H new ATOM 0 HA HIS A 31 25.647 7.678 9.626 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.381 6.399 9.361 1.00 31.03 H new ATOM 0 HB3 HIS A 31 27.994 8.027 9.882 1.00 31.03 H new ATOM 0 HD2 HIS A 31 27.692 8.319 12.600 1.00 62.03 H new ATOM 0 HE1 HIS A 31 27.678 4.199 13.608 1.00 20.24 H new ATOM 0 HE2 HIS A 31 27.699 6.570 14.534 1.00 41.10 H new ATOM 442 N VAL A 32 25.835 8.087 7.205 1.00 24.00 N ATOM 443 CA VAL A 32 25.896 8.348 5.771 1.00 4.03 C ATOM 444 C VAL A 32 26.896 9.455 5.457 1.00 11.32 C ATOM 445 O VAL A 32 26.891 10.510 6.091 1.00 31.44 O ATOM 446 CB VAL A 32 24.516 8.744 5.213 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.524 8.704 3.693 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.435 7.833 5.774 1.00 32.45 C ATOM 0 H VAL A 32 25.302 8.775 7.736 1.00 24.00 H new ATOM 0 HA VAL A 32 26.220 7.423 5.294 1.00 4.03 H new ATOM 0 HB VAL A 32 24.296 9.765 5.524 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.541 8.987 3.316 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.272 9.401 3.315 1.00 52.25 H new ATOM 0 HG13 VAL A 32 24.765 7.696 3.357 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.466 8.126 5.370 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.648 6.801 5.494 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.416 7.918 6.861 1.00 32.45 H new ATOM 458 N PHE A 33 27.754 9.208 4.471 1.00 51.12 N ATOM 459 CA PHE A 33 28.761 10.184 4.073 1.00 51.45 C ATOM 460 C PHE A 33 28.687 10.458 2.572 1.00 55.55 C ATOM 461 O PHE A 33 28.046 9.719 1.826 1.00 10.22 O ATOM 462 CB PHE A 33 30.159 9.687 4.444 1.00 10.20 C ATOM 463 CG PHE A 33 30.470 9.810 5.908 1.00 4.40 C ATOM 464 CD1 PHE A 33 29.852 8.984 6.833 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.380 10.752 6.360 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.135 9.095 8.181 1.00 11.13 C ATOM 467 CE2 PHE A 33 31.668 10.866 7.706 1.00 73.04 C ATOM 468 CZ PHE A 33 31.044 10.038 8.618 1.00 5.30 C ATOM 0 H PHE A 33 27.771 8.341 3.934 1.00 51.12 H new ATOM 0 HA PHE A 33 28.562 11.114 4.606 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.255 8.643 4.147 1.00 10.20 H new ATOM 0 HB3 PHE A 33 30.899 10.250 3.875 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.141 8.244 6.496 1.00 34.41 H new ATOM 0 HD2 PHE A 33 31.870 11.404 5.652 1.00 65.40 H new ATOM 0 HE1 PHE A 33 29.646 8.445 8.892 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.381 11.603 8.045 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.267 10.128 9.671 1.00 5.30 H new ATOM 478 N ARG A 34 29.350 11.526 2.140 1.00 64.43 N ATOM 479 CA ARG A 34 29.358 11.900 0.730 1.00 65.22 C ATOM 480 C ARG A 34 30.778 12.192 0.255 1.00 15.34 C ATOM 481 O ARG A 34 31.570 12.809 0.969 1.00 10.42 O ATOM 482 CB ARG A 34 28.470 13.122 0.500 1.00 44.03 C ATOM 483 CG ARG A 34 28.342 13.516 -0.963 1.00 42.14 C ATOM 484 CD ARG A 34 29.347 14.594 -1.340 1.00 65.22 C ATOM 485 NE ARG A 34 29.135 15.090 -2.697 1.00 22.33 N ATOM 486 CZ ARG A 34 29.382 14.373 -3.788 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.847 13.137 -3.682 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.164 14.894 -4.989 1.00 1.52 N ATOM 0 H ARG A 34 29.888 12.147 2.745 1.00 64.43 H new ATOM 0 HA ARG A 34 28.965 11.062 0.154 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.477 12.919 0.901 1.00 44.03 H new ATOM 0 HB3 ARG A 34 28.874 13.965 1.060 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.495 12.639 -1.592 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.331 13.875 -1.157 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.271 15.422 -0.635 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.357 14.194 -1.254 1.00 65.22 H new ATOM 0 HE ARG A 34 28.778 16.038 -2.814 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.016 12.733 -2.761 1.00 32.51 H new ATOM 0 HH12 ARG A 34 30.036 12.589 -4.522 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.807 15.845 -5.075 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.354 14.343 -5.826 1.00 1.52 H new ATOM 502 N LYS A 35 31.096 11.746 -0.956 1.00 52.41 N ATOM 503 CA LYS A 35 32.420 11.959 -1.529 1.00 13.50 C ATOM 504 C LYS A 35 32.727 13.449 -1.645 1.00 22.12 C ATOM 505 O LYS A 35 32.115 14.158 -2.443 1.00 23.40 O ATOM 506 CB LYS A 35 32.515 11.298 -2.905 1.00 52.13 C ATOM 507 CG LYS A 35 33.578 11.911 -3.802 1.00 14.31 C ATOM 508 CD LYS A 35 34.953 11.846 -3.159 1.00 53.52 C ATOM 509 CE LYS A 35 35.329 10.420 -2.788 1.00 23.31 C ATOM 510 NZ LYS A 35 35.204 10.177 -1.323 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.453 11.234 -1.560 1.00 52.41 H new ATOM 0 HA LYS A 35 33.155 11.505 -0.864 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.729 10.237 -2.775 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.547 11.370 -3.401 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.597 11.386 -4.757 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.323 12.949 -4.014 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.696 12.252 -3.845 1.00 53.52 H new ATOM 0 HD3 LYS A 35 34.968 12.471 -2.266 1.00 53.52 H new ATOM 0 HE2 LYS A 35 34.688 9.723 -3.328 1.00 23.31 H new ATOM 0 HE3 LYS A 35 36.353 10.221 -3.103 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 36.008 9.604 -0.996 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.200 11.087 -0.819 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 34.317 9.670 -1.130 1.00 21.52 H new ATOM 524 N ALA A 36 33.681 13.916 -0.847 1.00 11.43 N ATOM 525 CA ALA A 36 34.073 15.320 -0.864 1.00 5.53 C ATOM 526 C ALA A 36 34.880 15.650 -2.115 1.00 3.33 C ATOM 527 O ALA A 36 35.457 14.763 -2.745 1.00 43.41 O ATOM 528 CB ALA A 36 34.870 15.661 0.386 1.00 65.22 C ATOM 0 H ALA A 36 34.197 13.342 -0.180 1.00 11.43 H new ATOM 0 HA ALA A 36 33.166 15.924 -0.879 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.156 16.712 0.360 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.260 15.473 1.269 1.00 65.22 H new ATOM 0 HB3 ALA A 36 35.766 15.042 0.426 1.00 65.22 H new ATOM 534 N ALA A 37 34.917 16.929 -2.470 1.00 31.41 N ATOM 535 CA ALA A 37 35.656 17.375 -3.645 1.00 53.45 C ATOM 536 C ALA A 37 37.140 17.053 -3.515 1.00 42.42 C ATOM 537 O ALA A 37 37.861 16.990 -4.512 1.00 11.14 O ATOM 538 CB ALA A 37 35.454 18.868 -3.860 1.00 43.21 C ATOM 0 H ALA A 37 34.444 17.676 -1.961 1.00 31.41 H new ATOM 0 HA ALA A 37 35.270 16.839 -4.512 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.011 19.187 -4.741 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.394 19.074 -4.007 1.00 43.21 H new ATOM 0 HB3 ALA A 37 35.812 19.413 -2.987 1.00 43.21 H new ATOM 544 N ASP A 38 37.592 16.851 -2.282 1.00 21.45 N ATOM 545 CA ASP A 38 38.992 16.536 -2.023 1.00 71.21 C ATOM 546 C ASP A 38 39.202 15.027 -1.943 1.00 42.43 C ATOM 547 O ASP A 38 40.211 14.558 -1.416 1.00 64.32 O ATOM 548 CB ASP A 38 39.453 17.197 -0.723 1.00 40.43 C ATOM 549 CG ASP A 38 40.030 18.580 -0.950 1.00 61.52 C ATOM 550 OD1 ASP A 38 40.645 18.798 -2.014 1.00 35.52 O ATOM 551 OD2 ASP A 38 39.866 19.445 -0.063 1.00 52.21 O1- ATOM 0 H ASP A 38 37.009 16.900 -1.446 1.00 21.45 H new ATOM 0 HA ASP A 38 39.586 16.925 -2.850 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.610 17.267 -0.035 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.203 16.567 -0.245 1.00 40.43 H new ATOM 556 N ASP A 39 38.243 14.272 -2.468 1.00 23.33 N ATOM 557 CA ASP A 39 38.323 12.817 -2.457 1.00 64.41 C ATOM 558 C ASP A 39 38.330 12.284 -1.027 1.00 62.43 C ATOM 559 O ASP A 39 39.117 11.399 -0.686 1.00 42.41 O ATOM 560 CB ASP A 39 39.578 12.348 -3.195 1.00 53.30 C ATOM 561 CG ASP A 39 39.608 10.845 -3.390 1.00 11.54 C ATOM 562 OD1 ASP A 39 38.580 10.282 -3.823 1.00 73.02 O1- ATOM 563 OD2 ASP A 39 40.657 10.230 -3.108 1.00 1.24 O ATOM 0 H ASP A 39 37.401 14.644 -2.907 1.00 23.33 H new ATOM 0 HA ASP A 39 37.443 12.426 -2.968 1.00 64.41 H new ATOM 0 HB2 ASP A 39 39.629 12.839 -4.167 1.00 53.30 H new ATOM 0 HB3 ASP A 39 40.461 12.656 -2.636 1.00 53.30 H new ATOM 568 N THR A 40 37.450 12.829 -0.193 1.00 24.15 N ATOM 569 CA THR A 40 37.356 12.411 1.200 1.00 43.05 C ATOM 570 C THR A 40 35.927 12.026 1.563 1.00 61.51 C ATOM 571 O THR A 40 35.027 12.078 0.724 1.00 34.22 O ATOM 572 CB THR A 40 37.834 13.522 2.153 1.00 44.50 C ATOM 573 OG1 THR A 40 36.853 14.561 2.226 1.00 41.21 O ATOM 574 CG2 THR A 40 39.161 14.103 1.686 1.00 21.33 C ATOM 0 H THR A 40 36.792 13.562 -0.459 1.00 24.15 H new ATOM 0 HA THR A 40 38.004 11.542 1.314 1.00 43.05 H new ATOM 0 HB THR A 40 37.974 13.085 3.142 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.164 15.263 2.835 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.478 14.886 2.375 1.00 21.33 H new ATOM 0 HG22 THR A 40 39.914 13.315 1.660 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.042 14.525 0.688 1.00 21.33 H new ATOM 582 N TRP A 41 35.723 11.641 2.818 1.00 45.03 N ATOM 583 CA TRP A 41 34.402 11.247 3.292 1.00 2.42 C ATOM 584 C TRP A 41 33.800 12.326 4.186 1.00 70.44 C ATOM 585 O TRP A 41 34.229 12.509 5.326 1.00 32.21 O ATOM 586 CB TRP A 41 34.483 9.924 4.053 1.00 70.13 C ATOM 587 CG TRP A 41 34.682 8.736 3.160 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.391 8.697 1.995 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.161 7.417 3.361 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.343 7.433 1.458 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.596 6.629 2.278 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.373 6.825 4.351 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.267 5.281 2.159 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.046 5.487 4.231 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.494 4.727 3.142 1.00 75.05 C ATOM 0 H TRP A 41 36.456 11.593 3.526 1.00 45.03 H new ATOM 0 HA TRP A 41 33.756 11.119 2.423 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.304 9.974 4.768 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.568 9.788 4.629 1.00 70.13 H new ATOM 0 HD1 TRP A 41 35.913 9.536 1.559 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.791 7.141 0.590 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.025 7.402 5.195 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.610 4.694 1.320 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.435 5.020 4.989 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.224 3.683 3.078 1.00 75.05 H new ATOM 606 N GLU A 42 32.808 13.038 3.663 1.00 73.10 N ATOM 607 CA GLU A 42 32.150 14.100 4.415 1.00 54.20 C ATOM 608 C GLU A 42 30.867 13.590 5.067 1.00 4.34 C ATOM 609 O GLU A 42 30.200 12.688 4.560 1.00 73.22 O ATOM 610 CB GLU A 42 31.834 15.284 3.499 1.00 31.41 C ATOM 611 CG GLU A 42 33.032 16.179 3.227 1.00 53.13 C ATOM 612 CD GLU A 42 33.176 17.288 4.251 1.00 51.31 C ATOM 613 OE1 GLU A 42 32.457 18.303 4.132 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.008 17.142 5.171 1.00 64.44 O ATOM 0 H GLU A 42 32.442 12.899 2.721 1.00 73.10 H new ATOM 0 HA GLU A 42 32.830 14.430 5.200 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.450 14.907 2.551 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.041 15.880 3.950 1.00 31.41 H new ATOM 0 HG2 GLU A 42 33.939 15.574 3.222 1.00 53.13 H new ATOM 0 HG3 GLU A 42 32.935 16.617 2.234 1.00 53.13 H new ATOM 621 N PRO A 43 30.514 14.181 6.218 1.00 54.34 N ATOM 622 CA PRO A 43 29.310 13.803 6.963 1.00 24.43 C ATOM 623 C PRO A 43 28.029 14.216 6.245 1.00 42.40 C ATOM 624 O PRO A 43 27.771 15.403 6.047 1.00 63.02 O ATOM 625 CB PRO A 43 29.453 14.570 8.281 1.00 15.11 C ATOM 626 CG PRO A 43 30.315 15.738 7.947 1.00 23.24 C ATOM 627 CD PRO A 43 31.262 15.263 6.879 1.00 63.44 C ATOM 0 HA PRO A 43 29.231 12.723 7.087 1.00 24.43 H new ATOM 0 HB2 PRO A 43 28.482 14.890 8.660 1.00 15.11 H new ATOM 0 HB3 PRO A 43 29.908 13.950 9.053 1.00 15.11 H new ATOM 0 HG2 PRO A 43 29.716 16.576 7.592 1.00 23.24 H new ATOM 0 HG3 PRO A 43 30.860 16.085 8.825 1.00 23.24 H new ATOM 0 HD2 PRO A 43 31.514 16.062 6.181 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.199 14.903 7.304 1.00 63.44 H new ATOM 635 N PHE A 44 27.230 13.228 5.857 1.00 23.33 N ATOM 636 CA PHE A 44 25.976 13.488 5.159 1.00 30.03 C ATOM 637 C PHE A 44 24.788 13.363 6.109 1.00 11.52 C ATOM 638 O PHE A 44 23.873 14.185 6.086 1.00 21.02 O ATOM 639 CB PHE A 44 25.809 12.519 3.986 1.00 54.34 C ATOM 640 CG PHE A 44 24.584 12.785 3.159 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.340 12.340 3.575 1.00 23.01 C ATOM 642 CD2 PHE A 44 24.678 13.480 1.963 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.211 12.584 2.815 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.553 13.727 1.200 1.00 24.11 C ATOM 645 CZ PHE A 44 22.318 13.277 1.626 1.00 75.12 C ATOM 0 H PHE A 44 27.428 12.240 6.014 1.00 23.33 H new ATOM 0 HA PHE A 44 26.008 14.508 4.777 1.00 30.03 H new ATOM 0 HB2 PHE A 44 26.690 12.580 3.347 1.00 54.34 H new ATOM 0 HB3 PHE A 44 25.764 11.500 4.370 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.251 11.796 4.504 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.641 13.832 1.624 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.247 12.233 3.151 1.00 44.13 H new ATOM 0 HE2 PHE A 44 23.639 14.271 0.271 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.438 13.467 1.030 1.00 75.12 H new ATOM 655 N ALA A 45 24.812 12.329 6.944 1.00 71.23 N ATOM 656 CA ALA A 45 23.739 12.097 7.903 1.00 64.43 C ATOM 657 C ALA A 45 24.065 10.921 8.817 1.00 24.31 C ATOM 658 O ALA A 45 25.090 10.259 8.652 1.00 5.31 O ATOM 659 CB ALA A 45 22.425 11.856 7.177 1.00 55.21 C ATOM 0 H ALA A 45 25.563 11.639 6.976 1.00 71.23 H new ATOM 0 HA ALA A 45 23.640 12.988 8.523 1.00 64.43 H new ATOM 0 HB1 ALA A 45 21.633 11.684 7.906 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.178 12.728 6.572 1.00 55.21 H new ATOM 0 HB3 ALA A 45 22.520 10.982 6.532 1.00 55.21 H new ATOM 665 N SER A 46 23.188 10.666 9.782 1.00 61.42 N ATOM 666 CA SER A 46 23.385 9.572 10.725 1.00 20.23 C ATOM 667 C SER A 46 22.121 9.328 11.545 1.00 55.20 C ATOM 668 O SER A 46 21.419 10.266 11.919 1.00 65.33 O ATOM 669 CB SER A 46 24.560 9.878 11.656 1.00 30.24 C ATOM 670 OG SER A 46 24.435 9.178 12.882 1.00 45.23 O ATOM 0 H SER A 46 22.333 11.203 9.931 1.00 61.42 H new ATOM 0 HA SER A 46 23.608 8.670 10.156 1.00 20.23 H new ATOM 0 HB2 SER A 46 25.495 9.601 11.169 1.00 30.24 H new ATOM 0 HB3 SER A 46 24.606 10.950 11.849 1.00 30.24 H new ATOM 0 HG SER A 46 25.199 9.389 13.459 1.00 45.23 H new ATOM 676 N GLY A 47 21.839 8.058 11.822 1.00 22.52 N ATOM 677 CA GLY A 47 20.662 7.711 12.595 1.00 13.24 C ATOM 678 C GLY A 47 20.652 6.256 13.017 1.00 23.24 C ATOM 679 O GLY A 47 21.707 5.644 13.190 1.00 53.34 O ATOM 0 H GLY A 47 22.405 7.264 11.524 1.00 22.52 H new ATOM 0 HA2 GLY A 47 20.614 8.343 13.482 1.00 13.24 H new ATOM 0 HA3 GLY A 47 19.769 7.921 12.006 1.00 13.24 H new ATOM 683 N LYS A 48 19.458 5.697 13.183 1.00 71.53 N ATOM 684 CA LYS A 48 19.314 4.303 13.587 1.00 65.33 C ATOM 685 C LYS A 48 18.130 3.651 12.880 1.00 1.25 C ATOM 686 O LYS A 48 17.017 4.179 12.894 1.00 42.23 O ATOM 687 CB LYS A 48 19.132 4.206 15.103 1.00 75.34 C ATOM 688 CG LYS A 48 20.406 3.847 15.847 1.00 22.40 C ATOM 689 CD LYS A 48 20.153 3.671 17.335 1.00 43.34 C ATOM 690 CE LYS A 48 19.754 4.985 17.992 1.00 30.21 C ATOM 691 NZ LYS A 48 20.510 5.226 19.252 1.00 35.43 N1+ ATOM 0 H LYS A 48 18.575 6.188 13.044 1.00 71.53 H new ATOM 0 HA LYS A 48 20.222 3.773 13.301 1.00 65.33 H new ATOM 0 HB2 LYS A 48 18.759 5.159 15.477 1.00 75.34 H new ATOM 0 HB3 LYS A 48 18.370 3.458 15.322 1.00 75.34 H new ATOM 0 HG2 LYS A 48 20.821 2.927 15.436 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.150 4.628 15.694 1.00 22.40 H new ATOM 0 HD2 LYS A 48 19.365 2.933 17.486 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.051 3.281 17.814 1.00 43.34 H new ATOM 0 HE2 LYS A 48 19.932 5.807 17.298 1.00 30.21 H new ATOM 0 HE3 LYS A 48 18.685 4.974 18.206 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.210 6.130 19.669 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 20.320 4.455 19.924 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 21.528 5.261 19.044 1.00 35.43 H new ATOM 705 N THR A 49 18.377 2.500 12.262 1.00 51.42 N ATOM 706 CA THR A 49 17.331 1.776 11.550 1.00 70.12 C ATOM 707 C THR A 49 16.175 1.423 12.479 1.00 10.11 C ATOM 708 O THR A 49 16.375 1.193 13.672 1.00 53.44 O ATOM 709 CB THR A 49 17.877 0.484 10.913 1.00 52.42 C ATOM 710 OG1 THR A 49 18.132 -0.493 11.929 1.00 74.22 O ATOM 711 CG2 THR A 49 19.155 0.761 10.136 1.00 34.12 C ATOM 0 H THR A 49 19.292 2.049 12.240 1.00 51.42 H new ATOM 0 HA THR A 49 16.970 2.437 10.762 1.00 70.12 H new ATOM 0 HB THR A 49 17.127 0.101 10.221 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.493 -1.231 11.841 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.521 -0.166 9.696 1.00 34.12 H new ATOM 0 HG22 THR A 49 18.951 1.483 9.345 1.00 34.12 H new ATOM 0 HG23 THR A 49 19.910 1.166 10.810 1.00 34.12 H new ATOM 719 N SER A 50 14.968 1.380 11.925 1.00 34.50 N ATOM 720 CA SER A 50 13.780 1.056 12.706 1.00 20.42 C ATOM 721 C SER A 50 13.269 -0.341 12.366 1.00 73.51 C ATOM 722 O SER A 50 13.825 -1.023 11.506 1.00 35.41 O ATOM 723 CB SER A 50 12.680 2.089 12.451 1.00 43.22 C ATOM 724 OG SER A 50 11.675 2.021 13.448 1.00 64.44 O ATOM 0 H SER A 50 14.787 1.565 10.939 1.00 34.50 H new ATOM 0 HA SER A 50 14.053 1.077 13.761 1.00 20.42 H new ATOM 0 HB2 SER A 50 13.113 3.089 12.434 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.236 1.917 11.470 1.00 43.22 H new ATOM 0 HG SER A 50 10.985 2.692 13.263 1.00 64.44 H new ATOM 730 N GLU A 51 12.209 -0.759 13.049 1.00 30.32 N ATOM 731 CA GLU A 51 11.624 -2.075 12.821 1.00 23.23 C ATOM 732 C GLU A 51 10.956 -2.143 11.450 1.00 40.22 C ATOM 733 O GLU A 51 10.522 -3.209 11.012 1.00 52.42 O ATOM 734 CB GLU A 51 10.604 -2.401 13.913 1.00 74.31 C ATOM 735 CG GLU A 51 9.632 -1.267 14.197 1.00 31.32 C ATOM 736 CD GLU A 51 8.184 -1.687 14.036 1.00 73.14 C ATOM 737 OE1 GLU A 51 7.630 -2.280 14.986 1.00 52.03 O ATOM 738 OE2 GLU A 51 7.605 -1.423 12.962 1.00 65.12 O1- ATOM 0 H GLU A 51 11.738 -0.206 13.765 1.00 30.32 H new ATOM 0 HA GLU A 51 12.427 -2.811 12.853 1.00 23.23 H new ATOM 0 HB2 GLU A 51 10.040 -3.286 13.619 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.135 -2.652 14.831 1.00 74.31 H new ATOM 0 HG2 GLU A 51 9.790 -0.903 15.212 1.00 31.32 H new ATOM 0 HG3 GLU A 51 9.842 -0.436 13.524 1.00 31.32 H new ATOM 745 N SER A 52 10.879 -0.999 10.779 1.00 1.54 N ATOM 746 CA SER A 52 10.260 -0.926 9.460 1.00 44.12 C ATOM 747 C SER A 52 11.321 -0.869 8.365 1.00 3.03 C ATOM 748 O SER A 52 11.004 -0.727 7.185 1.00 54.51 O ATOM 749 CB SER A 52 9.349 0.299 9.367 1.00 55.52 C ATOM 750 OG SER A 52 8.472 0.199 8.257 1.00 34.12 O ATOM 0 H SER A 52 11.237 -0.109 11.126 1.00 1.54 H new ATOM 0 HA SER A 52 9.662 -1.826 9.317 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.769 0.396 10.285 1.00 55.52 H new ATOM 0 HB3 SER A 52 9.955 1.201 9.276 1.00 55.52 H new ATOM 0 HG SER A 52 8.960 -0.156 7.485 1.00 34.12 H new ATOM 756 N GLY A 53 12.584 -0.981 8.767 1.00 14.45 N ATOM 757 CA GLY A 53 13.673 -0.939 7.809 1.00 40.03 C ATOM 758 C GLY A 53 13.833 0.427 7.170 1.00 14.23 C ATOM 759 O GLY A 53 14.269 0.536 6.026 1.00 21.34 O ATOM 0 H GLY A 53 12.872 -1.100 9.738 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.602 -1.214 8.308 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.497 -1.682 7.031 1.00 40.03 H new ATOM 763 N GLU A 54 13.476 1.469 7.913 1.00 31.13 N ATOM 764 CA GLU A 54 13.580 2.835 7.410 1.00 52.11 C ATOM 765 C GLU A 54 14.323 3.724 8.401 1.00 0.31 C ATOM 766 O GLU A 54 14.205 3.554 9.616 1.00 51.32 O ATOM 767 CB GLU A 54 12.187 3.409 7.138 1.00 40.52 C ATOM 768 CG GLU A 54 11.270 3.380 8.349 1.00 10.03 C ATOM 769 CD GLU A 54 11.428 4.605 9.229 1.00 73.01 C ATOM 770 OE1 GLU A 54 11.497 5.724 8.679 1.00 75.13 O1- ATOM 771 OE2 GLU A 54 11.482 4.444 10.466 1.00 31.31 O ATOM 0 H GLU A 54 13.113 1.395 8.863 1.00 31.13 H new ATOM 0 HA GLU A 54 14.144 2.810 6.477 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.288 4.438 6.794 1.00 40.52 H new ATOM 0 HB3 GLU A 54 11.723 2.846 6.328 1.00 40.52 H new ATOM 0 HG2 GLU A 54 10.235 3.308 8.015 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.478 2.486 8.936 1.00 10.03 H new ATOM 778 N LEU A 55 15.091 4.673 7.876 1.00 5.54 N ATOM 779 CA LEU A 55 15.855 5.590 8.714 1.00 34.15 C ATOM 780 C LEU A 55 15.142 6.933 8.844 1.00 70.31 C ATOM 781 O LEU A 55 14.437 7.364 7.930 1.00 34.41 O ATOM 782 CB LEU A 55 17.254 5.798 8.132 1.00 4.21 C ATOM 783 CG LEU A 55 18.406 5.803 9.139 1.00 2.23 C ATOM 784 CD1 LEU A 55 18.339 7.043 10.018 1.00 50.42 C ATOM 785 CD2 LEU A 55 18.376 4.542 9.990 1.00 14.12 C ATOM 0 H LEU A 55 15.201 4.827 6.874 1.00 5.54 H new ATOM 0 HA LEU A 55 15.942 5.148 9.707 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.441 5.013 7.400 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.265 6.746 7.593 1.00 4.21 H new ATOM 0 HG LEU A 55 19.346 5.823 8.588 1.00 2.23 H new ATOM 0 HD11 LEU A 55 19.166 7.030 10.728 1.00 50.42 H new ATOM 0 HD12 LEU A 55 18.409 7.935 9.395 1.00 50.42 H new ATOM 0 HD13 LEU A 55 17.394 7.053 10.561 1.00 50.42 H new ATOM 0 HD21 LEU A 55 19.202 4.563 10.700 1.00 14.12 H new ATOM 0 HD22 LEU A 55 17.432 4.492 10.533 1.00 14.12 H new ATOM 0 HD23 LEU A 55 18.472 3.667 9.347 1.00 14.12 H new ATOM 797 N HIS A 56 15.330 7.590 9.983 1.00 5.15 N ATOM 798 CA HIS A 56 14.707 8.886 10.232 1.00 13.42 C ATOM 799 C HIS A 56 15.148 9.909 9.189 1.00 51.22 C ATOM 800 O HIS A 56 15.771 9.560 8.187 1.00 34.12 O ATOM 801 CB HIS A 56 15.058 9.384 11.633 1.00 32.12 C ATOM 802 CG HIS A 56 13.870 9.842 12.422 1.00 53.30 C ATOM 803 ND1 HIS A 56 12.756 9.056 12.628 1.00 23.11 N ATOM 804 CD2 HIS A 56 13.627 11.012 13.057 1.00 72.43 C ATOM 805 CE1 HIS A 56 11.878 9.724 13.354 1.00 1.32 C ATOM 806 NE2 HIS A 56 12.382 10.914 13.629 1.00 3.25 N ATOM 0 H HIS A 56 15.909 7.247 10.749 1.00 5.15 H new ATOM 0 HA HIS A 56 13.626 8.762 10.160 1.00 13.42 H new ATOM 0 HB2 HIS A 56 15.560 8.585 12.178 1.00 32.12 H new ATOM 0 HB3 HIS A 56 15.768 10.207 11.550 1.00 32.12 H new ATOM 0 HD2 HIS A 56 14.289 11.864 13.105 1.00 72.43 H new ATOM 0 HE1 HIS A 56 10.912 9.359 13.669 1.00 1.32 H new ATOM 0 HE2 HIS A 56 11.922 11.641 14.177 1.00 3.25 H new ATOM 814 N GLY A 57 14.821 11.174 9.433 1.00 61.41 N ATOM 815 CA GLY A 57 15.190 12.228 8.506 1.00 74.22 C ATOM 816 C GLY A 57 16.692 12.388 8.380 1.00 32.15 C ATOM 817 O GLY A 57 17.315 13.113 9.157 1.00 74.24 O ATOM 0 H GLY A 57 14.307 11.488 10.256 1.00 61.41 H new ATOM 0 HA2 GLY A 57 14.767 12.010 7.525 1.00 74.22 H new ATOM 0 HA3 GLY A 57 14.754 13.170 8.839 1.00 74.22 H new ATOM 821 N LEU A 58 17.277 11.710 7.399 1.00 71.24 N ATOM 822 CA LEU A 58 18.716 11.779 7.174 1.00 13.14 C ATOM 823 C LEU A 58 19.047 12.776 6.069 1.00 72.13 C ATOM 824 O LEU A 58 20.124 13.377 6.059 1.00 54.40 O ATOM 825 CB LEU A 58 19.262 10.397 6.809 1.00 52.25 C ATOM 826 CG LEU A 58 19.317 9.376 7.945 1.00 45.12 C ATOM 827 CD1 LEU A 58 19.961 8.082 7.471 1.00 71.41 C ATOM 828 CD2 LEU A 58 20.073 9.944 9.137 1.00 33.14 C ATOM 0 H LEU A 58 16.777 11.106 6.747 1.00 71.24 H new ATOM 0 HA LEU A 58 19.187 12.117 8.097 1.00 13.14 H new ATOM 0 HB2 LEU A 58 18.648 9.986 6.007 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.268 10.520 6.409 1.00 52.25 H new ATOM 0 HG LEU A 58 18.296 9.156 8.258 1.00 45.12 H new ATOM 0 HD11 LEU A 58 19.991 7.368 8.294 1.00 71.41 H new ATOM 0 HD12 LEU A 58 19.378 7.665 6.650 1.00 71.41 H new ATOM 0 HD13 LEU A 58 20.976 8.285 7.129 1.00 71.41 H new ATOM 0 HD21 LEU A 58 20.102 9.203 9.936 1.00 33.14 H new ATOM 0 HD22 LEU A 58 21.091 10.194 8.837 1.00 33.14 H new ATOM 0 HD23 LEU A 58 19.569 10.842 9.493 1.00 33.14 H new ATOM 840 N THR A 59 18.115 12.952 5.137 1.00 63.43 N ATOM 841 CA THR A 59 18.306 13.878 4.028 1.00 22.11 C ATOM 842 C THR A 59 18.691 15.266 4.530 1.00 64.24 C ATOM 843 O THR A 59 18.272 15.685 5.610 1.00 72.41 O ATOM 844 CB THR A 59 17.037 13.990 3.165 1.00 73.42 C ATOM 845 OG1 THR A 59 15.980 14.591 3.922 1.00 35.32 O ATOM 846 CG2 THR A 59 16.596 12.621 2.669 1.00 74.22 C ATOM 0 H THR A 59 17.219 12.464 5.129 1.00 63.43 H new ATOM 0 HA THR A 59 19.116 13.478 3.418 1.00 22.11 H new ATOM 0 HB THR A 59 17.267 14.615 2.302 1.00 73.42 H new ATOM 0 HG1 THR A 59 15.177 14.660 3.365 1.00 35.32 H new ATOM 0 HG21 THR A 59 15.697 12.726 2.061 1.00 74.22 H new ATOM 0 HG22 THR A 59 17.390 12.178 2.068 1.00 74.22 H new ATOM 0 HG23 THR A 59 16.384 11.976 3.522 1.00 74.22 H new ATOM 854 N THR A 60 19.491 15.975 3.740 1.00 12.24 N ATOM 855 CA THR A 60 19.932 17.315 4.104 1.00 43.44 C ATOM 856 C THR A 60 20.223 18.154 2.866 1.00 34.10 C ATOM 857 O THR A 60 20.032 17.699 1.739 1.00 22.23 O ATOM 858 CB THR A 60 21.193 17.271 4.988 1.00 21.12 C ATOM 859 OG1 THR A 60 22.195 16.454 4.372 1.00 74.34 O ATOM 860 CG2 THR A 60 20.866 16.725 6.370 1.00 41.12 C ATOM 0 H THR A 60 19.847 15.643 2.844 1.00 12.24 H new ATOM 0 HA THR A 60 19.118 17.773 4.667 1.00 43.44 H new ATOM 0 HB THR A 60 21.570 18.288 5.096 1.00 21.12 H new ATOM 0 HG1 THR A 60 22.578 15.847 5.039 1.00 74.34 H new ATOM 0 HG21 THR A 60 21.772 16.703 6.976 1.00 41.12 H new ATOM 0 HG22 THR A 60 20.125 17.365 6.848 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.467 15.715 6.277 1.00 41.12 H new ATOM 868 N GLU A 61 20.685 19.381 3.083 1.00 14.50 N ATOM 869 CA GLU A 61 21.003 20.283 1.982 1.00 24.54 C ATOM 870 C GLU A 61 22.065 19.676 1.070 1.00 54.52 C ATOM 871 O GLU A 61 22.200 20.069 -0.089 1.00 63.11 O ATOM 872 CB GLU A 61 21.487 21.631 2.521 1.00 35.23 C ATOM 873 CG GLU A 61 22.593 21.511 3.555 1.00 25.21 C ATOM 874 CD GLU A 61 23.149 22.859 3.974 1.00 70.35 C ATOM 875 OE1 GLU A 61 23.373 23.709 3.086 1.00 33.30 O ATOM 876 OE2 GLU A 61 23.359 23.063 5.187 1.00 13.54 O1- ATOM 0 H GLU A 61 20.847 19.773 4.010 1.00 14.50 H new ATOM 0 HA GLU A 61 20.095 20.438 1.399 1.00 24.54 H new ATOM 0 HB2 GLU A 61 21.843 22.239 1.689 1.00 35.23 H new ATOM 0 HB3 GLU A 61 20.643 22.160 2.964 1.00 35.23 H new ATOM 0 HG2 GLU A 61 22.209 20.992 4.433 1.00 25.21 H new ATOM 0 HG3 GLU A 61 23.399 20.900 3.150 1.00 25.21 H new ATOM 883 N GLU A 62 22.816 18.718 1.603 1.00 72.32 N ATOM 884 CA GLU A 62 23.868 18.058 0.837 1.00 31.42 C ATOM 885 C GLU A 62 23.290 16.948 -0.036 1.00 1.45 C ATOM 886 O GLU A 62 24.018 16.280 -0.770 1.00 71.41 O ATOM 887 CB GLU A 62 24.929 17.483 1.777 1.00 1.21 C ATOM 888 CG GLU A 62 25.810 18.540 2.422 1.00 10.03 C ATOM 889 CD GLU A 62 26.820 17.949 3.385 1.00 2.43 C ATOM 890 OE1 GLU A 62 27.360 16.863 3.088 1.00 75.13 O ATOM 891 OE2 GLU A 62 27.072 18.573 4.436 1.00 32.10 O1- ATOM 0 H GLU A 62 22.716 18.381 2.561 1.00 72.32 H new ATOM 0 HA GLU A 62 24.332 18.802 0.189 1.00 31.42 H new ATOM 0 HB2 GLU A 62 24.435 16.907 2.560 1.00 1.21 H new ATOM 0 HB3 GLU A 62 25.558 16.789 1.220 1.00 1.21 H new ATOM 0 HG2 GLU A 62 26.336 19.093 1.644 1.00 10.03 H new ATOM 0 HG3 GLU A 62 25.183 19.256 2.953 1.00 10.03 H new ATOM 898 N GLU A 63 21.978 16.758 0.050 1.00 1.55 N ATOM 899 CA GLU A 63 21.302 15.728 -0.731 1.00 2.15 C ATOM 900 C GLU A 63 21.362 16.050 -2.221 1.00 33.05 C ATOM 901 O GLU A 63 21.164 15.174 -3.065 1.00 33.04 O ATOM 902 CB GLU A 63 19.845 15.592 -0.285 1.00 4.33 C ATOM 903 CG GLU A 63 18.953 16.722 -0.767 1.00 54.34 C ATOM 904 CD GLU A 63 17.560 16.661 -0.172 1.00 22.40 C ATOM 905 OE1 GLU A 63 16.976 15.557 -0.142 1.00 61.14 O ATOM 906 OE2 GLU A 63 17.052 17.715 0.264 1.00 12.13 O1- ATOM 0 H GLU A 63 21.361 17.303 0.652 1.00 1.55 H new ATOM 0 HA GLU A 63 21.816 14.782 -0.560 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.448 14.645 -0.652 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.809 15.552 0.804 1.00 4.33 H new ATOM 0 HG2 GLU A 63 19.412 17.677 -0.510 1.00 54.34 H new ATOM 0 HG3 GLU A 63 18.881 16.685 -1.854 1.00 54.34 H new ATOM 913 N PHE A 64 21.634 17.311 -2.539 1.00 14.24 N ATOM 914 CA PHE A 64 21.718 17.749 -3.926 1.00 42.31 C ATOM 915 C PHE A 64 23.144 17.619 -4.453 1.00 11.50 C ATOM 916 O PHE A 64 23.752 18.599 -4.883 1.00 32.43 O ATOM 917 CB PHE A 64 21.246 19.199 -4.055 1.00 12.40 C ATOM 918 CG PHE A 64 20.603 19.505 -5.377 1.00 41.53 C ATOM 919 CD1 PHE A 64 21.208 19.121 -6.562 1.00 43.22 C ATOM 920 CD2 PHE A 64 19.392 20.177 -5.435 1.00 45.43 C ATOM 921 CE1 PHE A 64 20.618 19.401 -7.781 1.00 2.15 C ATOM 922 CE2 PHE A 64 18.797 20.459 -6.650 1.00 42.01 C ATOM 923 CZ PHE A 64 19.412 20.071 -7.824 1.00 13.33 C ATOM 0 H PHE A 64 21.800 18.048 -1.854 1.00 14.24 H new ATOM 0 HA PHE A 64 21.069 17.108 -4.522 1.00 42.31 H new ATOM 0 HB2 PHE A 64 20.536 19.414 -3.256 1.00 12.40 H new ATOM 0 HB3 PHE A 64 22.098 19.864 -3.912 1.00 12.40 H new ATOM 0 HD1 PHE A 64 22.152 18.597 -6.534 1.00 43.22 H new ATOM 0 HD2 PHE A 64 18.908 20.484 -4.520 1.00 45.43 H new ATOM 0 HE1 PHE A 64 21.100 19.096 -8.698 1.00 2.15 H new ATOM 0 HE2 PHE A 64 17.853 20.982 -6.681 1.00 42.01 H new ATOM 0 HZ PHE A 64 18.950 20.292 -8.775 1.00 13.33 H new ATOM 933 N VAL A 65 23.673 16.399 -4.415 1.00 14.35 N ATOM 934 CA VAL A 65 25.027 16.140 -4.888 1.00 53.13 C ATOM 935 C VAL A 65 25.021 15.167 -6.063 1.00 62.20 C ATOM 936 O VAL A 65 23.962 14.747 -6.527 1.00 61.02 O ATOM 937 CB VAL A 65 25.914 15.566 -3.767 1.00 52.31 C ATOM 938 CG1 VAL A 65 26.150 16.611 -2.687 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.283 14.313 -3.177 1.00 75.10 C ATOM 0 H VAL A 65 23.184 15.576 -4.062 1.00 14.35 H new ATOM 0 HA VAL A 65 25.437 17.096 -5.212 1.00 53.13 H new ATOM 0 HB VAL A 65 26.879 15.293 -4.194 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.778 16.188 -1.903 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.647 17.478 -3.122 1.00 53.55 H new ATOM 0 HG13 VAL A 65 25.194 16.916 -2.261 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.923 13.921 -2.387 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.305 14.558 -2.764 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.169 13.561 -3.958 1.00 75.10 H new ATOM 949 N GLU A 66 26.212 14.814 -6.538 1.00 2.51 N ATOM 950 CA GLU A 66 26.344 13.893 -7.659 1.00 74.43 C ATOM 951 C GLU A 66 25.526 12.626 -7.421 1.00 23.21 C ATOM 952 O GLU A 66 24.726 12.223 -8.263 1.00 2.04 O ATOM 953 CB GLU A 66 27.814 13.529 -7.881 1.00 20.43 C ATOM 954 CG GLU A 66 28.667 14.700 -8.338 1.00 34.14 C ATOM 955 CD GLU A 66 28.788 14.779 -9.848 1.00 41.54 C ATOM 956 OE1 GLU A 66 27.750 14.964 -10.516 1.00 10.42 O1- ATOM 957 OE2 GLU A 66 29.921 14.656 -10.361 1.00 71.33 O ATOM 0 H GLU A 66 27.098 15.152 -6.163 1.00 2.51 H new ATOM 0 HA GLU A 66 25.962 14.391 -8.551 1.00 74.43 H new ATOM 0 HB2 GLU A 66 28.225 13.131 -6.954 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.875 12.734 -8.624 1.00 20.43 H new ATOM 0 HG2 GLU A 66 28.235 15.628 -7.963 1.00 34.14 H new ATOM 0 HG3 GLU A 66 29.662 14.612 -7.902 1.00 34.14 H new ATOM 964 N GLY A 67 25.735 12.003 -6.265 1.00 71.33 N ATOM 965 CA GLY A 67 25.012 10.789 -5.936 1.00 61.34 C ATOM 966 C GLY A 67 25.823 9.847 -5.068 1.00 70.12 C ATOM 967 O GLY A 67 25.283 8.900 -4.494 1.00 52.23 O ATOM 0 H GLY A 67 26.392 12.318 -5.551 1.00 71.33 H new ATOM 0 HA2 GLY A 67 24.088 11.049 -5.419 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.730 10.277 -6.856 1.00 61.34 H new ATOM 971 N ILE A 68 27.123 10.106 -4.974 1.00 31.34 N ATOM 972 CA ILE A 68 28.011 9.273 -4.171 1.00 24.21 C ATOM 973 C ILE A 68 27.645 9.348 -2.692 1.00 41.21 C ATOM 974 O ILE A 68 27.710 10.413 -2.079 1.00 52.24 O ATOM 975 CB ILE A 68 29.483 9.688 -4.346 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.848 9.742 -5.831 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.397 8.724 -3.605 1.00 43.11 C ATOM 978 CD1 ILE A 68 31.188 10.388 -6.102 1.00 24.51 C ATOM 0 H ILE A 68 27.585 10.885 -5.443 1.00 31.34 H new ATOM 0 HA ILE A 68 27.887 8.249 -4.522 1.00 24.21 H new ATOM 0 HB ILE A 68 29.617 10.683 -3.922 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.855 8.728 -6.232 1.00 53.05 H new ATOM 0 HG13 ILE A 68 29.074 10.291 -6.367 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.434 9.031 -3.738 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.150 8.732 -2.543 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.263 7.718 -4.002 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.380 10.391 -7.175 1.00 24.51 H new ATOM 0 HD12 ILE A 68 31.179 11.413 -5.732 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.972 9.826 -5.595 1.00 24.51 H new ATOM 990 N TYR A 69 27.264 8.209 -2.125 1.00 43.21 N ATOM 991 CA TYR A 69 26.887 8.144 -0.718 1.00 1.03 C ATOM 992 C TYR A 69 27.462 6.896 -0.056 1.00 42.24 C ATOM 993 O TYR A 69 27.274 5.779 -0.540 1.00 25.42 O ATOM 994 CB TYR A 69 25.365 8.155 -0.575 1.00 41.35 C ATOM 995 CG TYR A 69 24.707 9.368 -1.194 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.113 10.653 -0.855 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.679 9.228 -2.118 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.514 11.763 -1.417 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.076 10.333 -2.687 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.497 11.598 -2.334 1.00 22.23 C ATOM 1001 OH TYR A 69 22.898 12.701 -2.898 1.00 34.52 O ATOM 0 H TYR A 69 27.208 7.318 -2.618 1.00 43.21 H new ATOM 0 HA TYR A 69 27.299 9.021 -0.218 1.00 1.03 H new ATOM 0 HB2 TYR A 69 24.959 7.256 -1.038 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.108 8.113 0.483 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.911 10.786 -0.139 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.346 8.239 -2.396 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.840 12.755 -1.140 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.279 10.207 -3.405 1.00 73.53 H new ATOM 0 HH TYR A 69 22.202 12.411 -3.524 1.00 34.52 H new ATOM 1011 N LYS A 70 28.166 7.092 1.053 1.00 53.02 N ATOM 1012 CA LYS A 70 28.768 5.984 1.785 1.00 22.35 C ATOM 1013 C LYS A 70 28.073 5.775 3.126 1.00 44.40 C ATOM 1014 O LYS A 70 28.284 6.533 4.072 1.00 32.24 O ATOM 1015 CB LYS A 70 30.260 6.244 2.007 1.00 11.12 C ATOM 1016 CG LYS A 70 30.997 6.676 0.751 1.00 64.32 C ATOM 1017 CD LYS A 70 31.599 8.061 0.906 1.00 64.11 C ATOM 1018 CE LYS A 70 31.800 8.737 -0.442 1.00 50.51 C ATOM 1019 NZ LYS A 70 32.543 7.865 -1.393 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.334 8.010 1.465 1.00 53.02 H new ATOM 0 HA LYS A 70 28.647 5.080 1.189 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.376 7.015 2.769 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.724 5.338 2.397 1.00 11.12 H new ATOM 0 HG2 LYS A 70 31.786 5.958 0.526 1.00 64.32 H new ATOM 0 HG3 LYS A 70 30.310 6.670 -0.095 1.00 64.32 H new ATOM 0 HD2 LYS A 70 30.947 8.674 1.528 1.00 64.11 H new ATOM 0 HD3 LYS A 70 32.556 7.987 1.423 1.00 64.11 H new ATOM 0 HE2 LYS A 70 30.830 8.995 -0.867 1.00 50.51 H new ATOM 0 HE3 LYS A 70 32.345 9.670 -0.303 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 33.131 8.454 -2.017 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 33.151 7.210 -0.861 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 31.867 7.321 -1.966 1.00 34.32 H new ATOM 1033 N VAL A 71 27.242 4.739 3.202 1.00 65.12 N ATOM 1034 CA VAL A 71 26.518 4.429 4.428 1.00 43.30 C ATOM 1035 C VAL A 71 27.196 3.302 5.197 1.00 4.12 C ATOM 1036 O VAL A 71 27.408 2.214 4.664 1.00 32.12 O ATOM 1037 CB VAL A 71 25.059 4.028 4.132 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.337 3.654 5.417 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.333 5.154 3.412 1.00 13.51 C ATOM 0 H VAL A 71 27.054 4.101 2.429 1.00 65.12 H new ATOM 0 HA VAL A 71 26.523 5.334 5.036 1.00 43.30 H new ATOM 0 HB VAL A 71 25.066 3.155 3.480 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.309 3.374 5.188 1.00 72.13 H new ATOM 0 HG12 VAL A 71 24.846 2.813 5.889 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.338 4.506 6.096 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.305 4.854 3.211 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.335 6.047 4.038 1.00 13.51 H new ATOM 0 HG23 VAL A 71 24.839 5.370 2.471 1.00 13.51 H new ATOM 1049 N GLU A 72 27.535 3.571 6.455 1.00 21.11 N ATOM 1050 CA GLU A 72 28.191 2.578 7.297 1.00 23.21 C ATOM 1051 C GLU A 72 27.261 2.112 8.413 1.00 64.10 C ATOM 1052 O GLU A 72 26.563 2.918 9.031 1.00 4.11 O ATOM 1053 CB GLU A 72 29.476 3.154 7.896 1.00 23.23 C ATOM 1054 CG GLU A 72 29.257 3.907 9.197 1.00 11.22 C ATOM 1055 CD GLU A 72 30.360 4.908 9.484 1.00 2.12 C ATOM 1056 OE1 GLU A 72 30.737 5.656 8.558 1.00 13.44 O ATOM 1057 OE2 GLU A 72 30.845 4.943 10.633 1.00 15.25 O1- ATOM 0 H GLU A 72 27.366 4.467 6.912 1.00 21.11 H new ATOM 0 HA GLU A 72 28.442 1.719 6.674 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.181 2.342 8.071 1.00 23.23 H new ATOM 0 HB3 GLU A 72 29.936 3.825 7.171 1.00 23.23 H new ATOM 0 HG2 GLU A 72 28.301 4.428 9.154 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.195 3.194 10.019 1.00 11.22 H new ATOM 1064 N ILE A 73 27.256 0.808 8.666 1.00 64.22 N ATOM 1065 CA ILE A 73 26.413 0.235 9.709 1.00 54.32 C ATOM 1066 C ILE A 73 27.254 -0.314 10.856 1.00 14.42 C ATOM 1067 O ILE A 73 28.245 -1.010 10.636 1.00 11.03 O ATOM 1068 CB ILE A 73 25.522 -0.892 9.155 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.576 -0.345 8.084 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.736 -1.547 10.281 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.493 -1.215 6.850 1.00 1.34 C ATOM 0 H ILE A 73 27.826 0.128 8.163 1.00 64.22 H new ATOM 0 HA ILE A 73 25.779 1.040 10.080 1.00 54.32 H new ATOM 0 HB ILE A 73 26.160 -1.648 8.696 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.579 -0.239 8.511 1.00 2.33 H new ATOM 0 HG13 ILE A 73 24.906 0.652 7.794 1.00 2.33 H new ATOM 0 HG21 ILE A 73 24.111 -2.342 9.874 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.428 -1.967 11.011 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.106 -0.802 10.766 1.00 24.31 H new ATOM 0 HD11 ILE A 73 23.805 -0.766 6.134 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.481 -1.301 6.398 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.133 -2.206 7.127 1.00 1.34 H new ATOM 1083 N ASP A 74 26.851 0.002 12.082 1.00 44.44 N ATOM 1084 CA ASP A 74 27.565 -0.461 13.265 1.00 10.11 C ATOM 1085 C ASP A 74 26.799 -1.586 13.957 1.00 13.42 C ATOM 1086 O ASP A 74 26.231 -1.395 15.032 1.00 64.24 O ATOM 1087 CB ASP A 74 27.786 0.696 14.240 1.00 20.22 C ATOM 1088 CG ASP A 74 29.045 0.526 15.067 1.00 1.12 C ATOM 1089 OD1 ASP A 74 29.156 -0.498 15.774 1.00 62.12 O1- ATOM 1090 OD2 ASP A 74 29.919 1.416 15.007 1.00 11.04 O ATOM 0 H ASP A 74 26.033 0.577 12.282 1.00 44.44 H new ATOM 0 HA ASP A 74 28.533 -0.847 12.946 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.845 1.631 13.682 1.00 20.22 H new ATOM 0 HB3 ASP A 74 26.926 0.776 14.905 1.00 20.22 H new ATOM 1095 N THR A 75 26.788 -2.758 13.330 1.00 2.21 N ATOM 1096 CA THR A 75 26.090 -3.913 13.883 1.00 43.11 C ATOM 1097 C THR A 75 27.066 -4.878 14.548 1.00 52.03 C ATOM 1098 O THR A 75 26.661 -5.890 15.119 1.00 42.55 O ATOM 1099 CB THR A 75 25.302 -4.666 12.795 1.00 63.11 C ATOM 1100 OG1 THR A 75 24.786 -5.892 13.325 1.00 13.12 O ATOM 1101 CG2 THR A 75 26.184 -4.959 11.592 1.00 71.34 C ATOM 0 H THR A 75 27.254 -2.933 12.440 1.00 2.21 H new ATOM 0 HA THR A 75 25.392 -3.534 14.630 1.00 43.11 H new ATOM 0 HB THR A 75 24.475 -4.033 12.473 1.00 63.11 H new ATOM 0 HG1 THR A 75 25.055 -5.982 14.263 1.00 13.12 H new ATOM 0 HG21 THR A 75 25.605 -5.491 10.837 1.00 71.34 H new ATOM 0 HG22 THR A 75 26.551 -4.022 11.173 1.00 71.34 H new ATOM 0 HG23 THR A 75 27.029 -5.574 11.902 1.00 71.34 H new ATOM 1109 N LYS A 76 28.352 -4.557 14.471 1.00 11.51 N ATOM 1110 CA LYS A 76 29.387 -5.395 15.066 1.00 2.32 C ATOM 1111 C LYS A 76 29.388 -5.258 16.585 1.00 63.31 C ATOM 1112 O LYS A 76 29.464 -6.253 17.307 1.00 10.13 O ATOM 1113 CB LYS A 76 30.761 -5.018 14.509 1.00 70.33 C ATOM 1114 CG LYS A 76 31.099 -3.545 14.668 1.00 30.31 C ATOM 1115 CD LYS A 76 31.993 -3.306 15.873 1.00 0.13 C ATOM 1116 CE LYS A 76 33.465 -3.441 15.511 1.00 10.32 C ATOM 1117 NZ LYS A 76 33.892 -2.406 14.528 1.00 64.52 N1+ ATOM 0 H LYS A 76 28.704 -3.722 14.002 1.00 11.51 H new ATOM 0 HA LYS A 76 29.171 -6.433 14.811 1.00 2.32 H new ATOM 0 HB2 LYS A 76 31.523 -5.613 15.012 1.00 70.33 H new ATOM 0 HB3 LYS A 76 30.799 -5.279 13.451 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.597 -3.186 13.767 1.00 30.31 H new ATOM 0 HG3 LYS A 76 30.180 -2.969 14.776 1.00 30.31 H new ATOM 0 HD2 LYS A 76 31.806 -2.310 16.274 1.00 0.13 H new ATOM 0 HD3 LYS A 76 31.744 -4.019 16.659 1.00 0.13 H new ATOM 0 HE2 LYS A 76 34.070 -3.356 16.414 1.00 10.32 H new ATOM 0 HE3 LYS A 76 33.648 -4.433 15.097 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 34.909 -2.219 14.641 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 33.708 -2.747 13.563 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 33.358 -1.529 14.693 1.00 64.52 H new ATOM 1131 N SER A 77 29.303 -4.022 17.065 1.00 12.32 N ATOM 1132 CA SER A 77 29.297 -3.756 18.499 1.00 40.54 C ATOM 1133 C SER A 77 27.872 -3.756 19.045 1.00 72.24 C ATOM 1134 O SER A 77 27.652 -3.979 20.235 1.00 3.31 O ATOM 1135 CB SER A 77 29.969 -2.414 18.793 1.00 24.54 C ATOM 1136 OG SER A 77 31.373 -2.559 18.901 1.00 62.42 O ATOM 0 H SER A 77 29.237 -3.188 16.482 1.00 12.32 H new ATOM 0 HA SER A 77 29.857 -4.550 18.994 1.00 40.54 H new ATOM 0 HB2 SER A 77 29.734 -1.705 18.000 1.00 24.54 H new ATOM 0 HB3 SER A 77 29.571 -2.000 19.719 1.00 24.54 H new ATOM 0 HG SER A 77 31.779 -1.687 19.087 1.00 62.42 H new ATOM 1142 N TYR A 78 26.909 -3.505 18.166 1.00 33.14 N ATOM 1143 CA TYR A 78 25.505 -3.473 18.559 1.00 43.04 C ATOM 1144 C TYR A 78 24.964 -4.885 18.765 1.00 22.45 C ATOM 1145 O TYR A 78 24.021 -5.095 19.528 1.00 1.02 O ATOM 1146 CB TYR A 78 24.673 -2.745 17.500 1.00 4.32 C ATOM 1147 CG TYR A 78 24.436 -1.285 17.817 1.00 61.13 C ATOM 1148 CD1 TYR A 78 25.426 -0.336 17.597 1.00 50.52 C ATOM 1149 CD2 TYR A 78 23.219 -0.856 18.332 1.00 52.42 C ATOM 1150 CE1 TYR A 78 25.213 0.998 17.885 1.00 70.55 C ATOM 1151 CE2 TYR A 78 22.997 0.477 18.621 1.00 61.52 C ATOM 1152 CZ TYR A 78 23.997 1.400 18.396 1.00 70.05 C ATOM 1153 OH TYR A 78 23.780 2.728 18.682 1.00 34.34 O ATOM 0 H TYR A 78 27.074 -3.321 17.177 1.00 33.14 H new ATOM 0 HA TYR A 78 25.431 -2.934 19.503 1.00 43.04 H new ATOM 0 HB2 TYR A 78 25.178 -2.822 16.537 1.00 4.32 H new ATOM 0 HB3 TYR A 78 23.711 -3.247 17.397 1.00 4.32 H new ATOM 0 HD1 TYR A 78 26.379 -0.646 17.194 1.00 50.52 H new ATOM 0 HD2 TYR A 78 22.434 -1.576 18.509 1.00 52.42 H new ATOM 0 HE1 TYR A 78 25.995 1.722 17.711 1.00 70.55 H new ATOM 0 HE2 TYR A 78 22.045 0.794 19.021 1.00 61.52 H new ATOM 0 HH TYR A 78 22.872 2.843 19.033 1.00 34.34 H new ATOM 1163 N TRP A 79 25.569 -5.847 18.078 1.00 42.11 N ATOM 1164 CA TRP A 79 25.149 -7.240 18.185 1.00 34.33 C ATOM 1165 C TRP A 79 25.570 -7.835 19.524 1.00 45.25 C ATOM 1166 O TRP A 79 24.891 -8.704 20.070 1.00 50.44 O ATOM 1167 CB TRP A 79 25.742 -8.062 17.039 1.00 11.24 C ATOM 1168 CG TRP A 79 24.793 -8.254 15.894 1.00 33.12 C ATOM 1169 CD1 TRP A 79 23.754 -7.440 15.545 1.00 13.21 C ATOM 1170 CD2 TRP A 79 24.799 -9.330 14.949 1.00 23.44 C ATOM 1171 NE1 TRP A 79 23.112 -7.946 14.440 1.00 13.32 N ATOM 1172 CE2 TRP A 79 23.733 -9.104 14.055 1.00 40.35 C ATOM 1173 CE3 TRP A 79 25.599 -10.461 14.770 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 23.451 -9.968 13.000 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 25.317 -11.318 13.723 1.00 22.15 C ATOM 1176 CH2 TRP A 79 24.251 -11.067 12.848 1.00 55.42 C ATOM 0 H TRP A 79 26.351 -5.689 17.442 1.00 42.11 H new ATOM 0 HA TRP A 79 24.061 -7.271 18.121 1.00 34.33 H new ATOM 0 HB2 TRP A 79 26.644 -7.569 16.676 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.044 -9.038 17.419 1.00 11.24 H new ATOM 0 HD1 TRP A 79 23.477 -6.532 16.061 1.00 13.21 H new ATOM 0 HE1 TRP A 79 22.303 -7.527 13.981 1.00 13.32 H new ATOM 0 HE3 TRP A 79 26.423 -10.662 15.438 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 22.629 -9.777 12.325 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 25.928 -12.196 13.576 1.00 22.15 H new ATOM 0 HH2 TRP A 79 24.058 -11.755 12.038 1.00 55.42 H new ATOM 1187 N LYS A 80 26.696 -7.360 20.049 1.00 50.41 N ATOM 1188 CA LYS A 80 27.208 -7.844 21.326 1.00 54.32 C ATOM 1189 C LYS A 80 26.353 -7.336 22.482 1.00 54.00 C ATOM 1190 O LYS A 80 26.403 -7.874 23.587 1.00 50.04 O ATOM 1191 CB LYS A 80 28.659 -7.401 21.517 1.00 61.21 C ATOM 1192 CG LYS A 80 28.799 -5.969 22.004 1.00 73.40 C ATOM 1193 CD LYS A 80 29.250 -5.914 23.454 1.00 71.12 C ATOM 1194 CE LYS A 80 30.744 -6.167 23.582 1.00 24.41 C ATOM 1195 NZ LYS A 80 31.510 -4.900 23.743 1.00 51.34 N1+ ATOM 0 H LYS A 80 27.271 -6.641 19.610 1.00 50.41 H new ATOM 0 HA LYS A 80 27.166 -8.933 21.318 1.00 54.32 H new ATOM 0 HB2 LYS A 80 29.143 -8.068 22.231 1.00 61.21 H new ATOM 0 HB3 LYS A 80 29.190 -7.508 20.571 1.00 61.21 H new ATOM 0 HG2 LYS A 80 29.518 -5.440 21.378 1.00 73.40 H new ATOM 0 HG3 LYS A 80 27.844 -5.453 21.899 1.00 73.40 H new ATOM 0 HD2 LYS A 80 29.008 -4.938 23.875 1.00 71.12 H new ATOM 0 HD3 LYS A 80 28.703 -6.657 24.035 1.00 71.12 H new ATOM 0 HE2 LYS A 80 30.930 -6.815 24.438 1.00 24.41 H new ATOM 0 HE3 LYS A 80 31.100 -6.696 22.698 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 32.524 -5.116 23.827 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 31.353 -4.292 22.914 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 31.189 -4.407 24.600 1.00 51.34 H new ATOM 1209 N ALA A 81 25.568 -6.296 22.219 1.00 25.51 N ATOM 1210 CA ALA A 81 24.699 -5.718 23.237 1.00 23.43 C ATOM 1211 C ALA A 81 23.489 -6.608 23.497 1.00 74.11 C ATOM 1212 O ALA A 81 23.080 -6.799 24.644 1.00 11.21 O ATOM 1213 CB ALA A 81 24.252 -4.325 22.820 1.00 4.11 C ATOM 0 H ALA A 81 25.516 -5.837 21.310 1.00 25.51 H new ATOM 0 HA ALA A 81 25.267 -5.643 24.164 1.00 23.43 H new ATOM 0 HB1 ALA A 81 23.604 -3.905 23.589 1.00 4.11 H new ATOM 0 HB2 ALA A 81 25.125 -3.685 22.693 1.00 4.11 H new ATOM 0 HB3 ALA A 81 23.706 -4.385 21.878 1.00 4.11 H new ATOM 1219 N LEU A 82 22.919 -7.150 22.427 1.00 72.45 N ATOM 1220 CA LEU A 82 21.753 -8.020 22.539 1.00 71.44 C ATOM 1221 C LEU A 82 22.174 -9.481 22.666 1.00 25.04 C ATOM 1222 O LEU A 82 21.357 -10.388 22.522 1.00 54.03 O ATOM 1223 CB LEU A 82 20.841 -7.845 21.323 1.00 34.13 C ATOM 1224 CG LEU A 82 20.288 -6.437 21.099 1.00 12.53 C ATOM 1225 CD1 LEU A 82 19.849 -5.819 22.417 1.00 33.35 C ATOM 1226 CD2 LEU A 82 21.325 -5.559 20.414 1.00 33.50 C ATOM 0 H LEU A 82 23.245 -7.003 21.472 1.00 72.45 H new ATOM 0 HA LEU A 82 21.206 -7.738 23.439 1.00 71.44 H new ATOM 0 HB2 LEU A 82 21.394 -8.143 20.432 1.00 34.13 H new ATOM 0 HB3 LEU A 82 20.001 -8.533 21.421 1.00 34.13 H new ATOM 0 HG LEU A 82 19.416 -6.509 20.448 1.00 12.53 H new ATOM 0 HD11 LEU A 82 19.459 -4.817 22.237 1.00 33.35 H new ATOM 0 HD12 LEU A 82 19.071 -6.436 22.867 1.00 33.35 H new ATOM 0 HD13 LEU A 82 20.702 -5.760 23.093 1.00 33.35 H new ATOM 0 HD21 LEU A 82 20.914 -4.561 20.263 1.00 33.50 H new ATOM 0 HD22 LEU A 82 22.216 -5.494 21.038 1.00 33.50 H new ATOM 0 HD23 LEU A 82 21.589 -5.993 19.449 1.00 33.50 H new ATOM 1238 N GLY A 83 23.458 -9.700 22.939 1.00 74.52 N ATOM 1239 CA GLY A 83 23.965 -11.051 23.083 1.00 61.44 C ATOM 1240 C GLY A 83 23.812 -11.866 21.814 1.00 64.05 C ATOM 1241 O GLY A 83 23.396 -13.024 21.858 1.00 12.21 O ATOM 0 H GLY A 83 24.155 -8.965 23.063 1.00 74.52 H new ATOM 0 HA2 GLY A 83 25.018 -11.013 23.362 1.00 61.44 H new ATOM 0 HA3 GLY A 83 23.438 -11.549 23.897 1.00 61.44 H new ATOM 1245 N ILE A 84 24.149 -11.260 20.679 1.00 55.22 N ATOM 1246 CA ILE A 84 24.047 -11.938 19.392 1.00 13.14 C ATOM 1247 C ILE A 84 25.365 -12.606 19.016 1.00 55.44 C ATOM 1248 O ILE A 84 26.436 -12.170 19.439 1.00 14.52 O ATOM 1249 CB ILE A 84 23.640 -10.961 18.273 1.00 32.24 C ATOM 1250 CG1 ILE A 84 22.455 -10.103 18.720 1.00 51.22 C ATOM 1251 CG2 ILE A 84 23.299 -11.724 17.002 1.00 0.21 C ATOM 1252 CD1 ILE A 84 21.198 -10.901 18.987 1.00 63.44 C ATOM 0 H ILE A 84 24.495 -10.302 20.625 1.00 55.22 H new ATOM 0 HA ILE A 84 23.275 -12.700 19.496 1.00 13.14 H new ATOM 0 HB ILE A 84 24.482 -10.302 18.063 1.00 32.24 H new ATOM 0 HG12 ILE A 84 22.730 -9.561 19.624 1.00 51.22 H new ATOM 0 HG13 ILE A 84 22.246 -9.358 17.952 1.00 51.22 H new ATOM 0 HG21 ILE A 84 23.013 -11.020 16.221 1.00 0.21 H new ATOM 0 HG22 ILE A 84 24.168 -12.295 16.676 1.00 0.21 H new ATOM 0 HG23 ILE A 84 22.471 -12.405 17.198 1.00 0.21 H new ATOM 0 HD11 ILE A 84 20.399 -10.228 19.300 1.00 63.44 H new ATOM 0 HD12 ILE A 84 20.898 -11.422 18.078 1.00 63.44 H new ATOM 0 HD13 ILE A 84 21.389 -11.628 19.776 1.00 63.44 H new ATOM 1264 N SER A 85 25.278 -13.664 18.218 1.00 21.13 N ATOM 1265 CA SER A 85 26.465 -14.394 17.785 1.00 50.52 C ATOM 1266 C SER A 85 27.512 -13.441 17.218 1.00 44.03 C ATOM 1267 O SER A 85 27.215 -12.313 16.825 1.00 31.33 O ATOM 1268 CB SER A 85 26.090 -15.441 16.734 1.00 54.22 C ATOM 1269 OG SER A 85 25.823 -16.696 17.337 1.00 53.22 O ATOM 0 H SER A 85 24.399 -14.036 17.858 1.00 21.13 H new ATOM 0 HA SER A 85 26.889 -14.897 18.654 1.00 50.52 H new ATOM 0 HB2 SER A 85 25.213 -15.106 16.180 1.00 54.22 H new ATOM 0 HB3 SER A 85 26.902 -15.545 16.014 1.00 54.22 H new ATOM 0 HG SER A 85 25.584 -17.347 16.645 1.00 53.22 H new ATOM 1365 N GLU A 92 29.475 -2.041 4.581 1.00 73.32 N ATOM 1366 CA GLU A 92 29.161 -0.668 4.205 1.00 2.25 C ATOM 1367 C GLU A 92 28.621 -0.605 2.778 1.00 25.30 C ATOM 1368 O GLU A 92 28.785 -1.543 1.998 1.00 13.50 O ATOM 1369 CB GLU A 92 30.404 0.215 4.331 1.00 43.31 C ATOM 1370 CG GLU A 92 31.647 -0.387 3.698 1.00 22.11 C ATOM 1371 CD GLU A 92 32.634 0.665 3.233 1.00 21.31 C ATOM 1372 OE1 GLU A 92 33.122 1.437 4.083 1.00 61.05 O ATOM 1373 OE2 GLU A 92 32.918 0.715 2.018 1.00 32.20 O1- ATOM 0 HA GLU A 92 28.392 -0.299 4.883 1.00 2.25 H new ATOM 0 HB2 GLU A 92 30.202 1.180 3.867 1.00 43.31 H new ATOM 0 HB3 GLU A 92 30.599 0.404 5.387 1.00 43.31 H new ATOM 0 HG2 GLU A 92 32.135 -1.044 4.418 1.00 22.11 H new ATOM 0 HG3 GLU A 92 31.355 -1.005 2.849 1.00 22.11 H new ATOM 1380 N VAL A 93 27.976 0.509 2.445 1.00 70.21 N ATOM 1381 CA VAL A 93 27.413 0.696 1.114 1.00 61.32 C ATOM 1382 C VAL A 93 27.937 1.975 0.470 1.00 43.24 C ATOM 1383 O VAL A 93 27.591 3.080 0.887 1.00 3.54 O ATOM 1384 CB VAL A 93 25.874 0.751 1.157 1.00 40.32 C ATOM 1385 CG1 VAL A 93 25.304 0.901 -0.245 1.00 24.13 C ATOM 1386 CG2 VAL A 93 25.317 -0.490 1.839 1.00 41.15 C ATOM 0 H VAL A 93 27.831 1.295 3.079 1.00 70.21 H new ATOM 0 HA VAL A 93 27.722 -0.162 0.517 1.00 61.32 H new ATOM 0 HB VAL A 93 25.575 1.623 1.738 1.00 40.32 H new ATOM 0 HG11 VAL A 93 24.216 0.938 -0.193 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.677 1.822 -0.693 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.610 0.051 -0.855 1.00 24.13 H new ATOM 0 HG21 VAL A 93 24.229 -0.435 1.861 1.00 41.15 H new ATOM 0 HG22 VAL A 93 25.625 -1.378 1.287 1.00 41.15 H new ATOM 0 HG23 VAL A 93 25.698 -0.547 2.859 1.00 41.15 H new ATOM 1396 N VAL A 94 28.775 1.817 -0.551 1.00 55.22 N ATOM 1397 CA VAL A 94 29.347 2.959 -1.254 1.00 54.44 C ATOM 1398 C VAL A 94 29.163 2.823 -2.761 1.00 72.33 C ATOM 1399 O VAL A 94 29.805 1.992 -3.404 1.00 31.22 O ATOM 1400 CB VAL A 94 30.847 3.115 -0.943 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.424 4.312 -1.685 1.00 44.32 C ATOM 1402 CG2 VAL A 94 31.069 3.249 0.556 1.00 32.44 C ATOM 0 H VAL A 94 29.072 0.909 -0.909 1.00 55.22 H new ATOM 0 HA VAL A 94 28.817 3.845 -0.904 1.00 54.44 H new ATOM 0 HB VAL A 94 31.367 2.220 -1.285 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.485 4.407 -1.453 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.298 4.170 -2.758 1.00 44.32 H new ATOM 0 HG13 VAL A 94 30.903 5.218 -1.375 1.00 44.32 H new ATOM 0 HG21 VAL A 94 32.135 3.358 0.758 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.538 4.126 0.925 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.694 2.359 1.060 1.00 32.44 H new ATOM 1412 N PHE A 95 28.282 3.647 -3.321 1.00 74.21 N ATOM 1413 CA PHE A 95 28.012 3.619 -4.753 1.00 3.42 C ATOM 1414 C PHE A 95 28.319 4.971 -5.391 1.00 14.12 C ATOM 1415 O PHE A 95 28.281 6.008 -4.726 1.00 41.52 O ATOM 1416 CB PHE A 95 26.552 3.240 -5.012 1.00 1.11 C ATOM 1417 CG PHE A 95 25.578 3.972 -4.135 1.00 21.10 C ATOM 1418 CD1 PHE A 95 25.293 5.309 -4.360 1.00 44.02 C ATOM 1419 CD2 PHE A 95 24.948 3.324 -3.085 1.00 70.40 C ATOM 1420 CE1 PHE A 95 24.397 5.986 -3.554 1.00 24.42 C ATOM 1421 CE2 PHE A 95 24.051 3.996 -2.275 1.00 25.12 C ATOM 1422 CZ PHE A 95 23.775 5.327 -2.511 1.00 43.33 C ATOM 0 H PHE A 95 27.743 4.342 -2.804 1.00 74.21 H new ATOM 0 HA PHE A 95 28.660 2.868 -5.204 1.00 3.42 H new ATOM 0 HB2 PHE A 95 26.312 3.443 -6.056 1.00 1.11 H new ATOM 0 HB3 PHE A 95 26.431 2.168 -4.860 1.00 1.11 H new ATOM 0 HD1 PHE A 95 25.776 5.828 -5.174 1.00 44.02 H new ATOM 0 HD2 PHE A 95 25.160 2.282 -2.897 1.00 70.40 H new ATOM 0 HE1 PHE A 95 24.183 7.028 -3.739 1.00 24.42 H new ATOM 0 HE2 PHE A 95 23.567 3.480 -1.459 1.00 25.12 H new ATOM 0 HZ PHE A 95 23.073 5.853 -1.881 1.00 43.33 H new ATOM 1432 N THR A 96 28.623 4.954 -6.685 1.00 44.40 N ATOM 1433 CA THR A 96 28.938 6.177 -7.413 1.00 34.31 C ATOM 1434 C THR A 96 27.793 6.578 -8.335 1.00 25.23 C ATOM 1435 O THR A 96 27.098 5.724 -8.885 1.00 11.30 O ATOM 1436 CB THR A 96 30.224 6.019 -8.247 1.00 71.34 C ATOM 1437 OG1 THR A 96 30.620 7.288 -8.780 1.00 53.43 O ATOM 1438 CG2 THR A 96 30.013 5.029 -9.382 1.00 41.12 C ATOM 0 H THR A 96 28.658 4.106 -7.251 1.00 44.40 H new ATOM 0 HA THR A 96 29.091 6.958 -6.668 1.00 34.31 H new ATOM 0 HB THR A 96 31.010 5.638 -7.596 1.00 71.34 H new ATOM 0 HG1 THR A 96 31.439 7.180 -9.307 1.00 53.43 H new ATOM 0 HG21 THR A 96 30.934 4.933 -9.957 1.00 41.12 H new ATOM 0 HG22 THR A 96 29.739 4.057 -8.971 1.00 41.12 H new ATOM 0 HG23 THR A 96 29.214 5.386 -10.032 1.00 41.12 H new ATOM 1446 N ALA A 97 27.602 7.883 -8.502 1.00 2.00 N ATOM 1447 CA ALA A 97 26.542 8.396 -9.362 1.00 54.14 C ATOM 1448 C ALA A 97 26.951 8.340 -10.830 1.00 75.12 C ATOM 1449 O ALA A 97 28.136 8.276 -11.152 1.00 3.52 O ATOM 1450 CB ALA A 97 26.187 9.821 -8.965 1.00 3.33 C ATOM 0 H ALA A 97 28.167 8.604 -8.053 1.00 2.00 H new ATOM 0 HA ALA A 97 25.663 7.764 -9.233 1.00 54.14 H new ATOM 0 HB1 ALA A 97 25.394 10.193 -9.614 1.00 3.33 H new ATOM 0 HB2 ALA A 97 25.845 9.836 -7.930 1.00 3.33 H new ATOM 0 HB3 ALA A 97 27.067 10.457 -9.066 1.00 3.33 H new ATOM 1562 N TYR A 105 18.642 3.848 -4.803 1.00 3.31 N ATOM 1563 CA TYR A 105 18.237 4.888 -3.865 1.00 51.11 C ATOM 1564 C TYR A 105 18.132 4.333 -2.447 1.00 4.42 C ATOM 1565 O TYR A 105 18.287 5.063 -1.468 1.00 2.22 O ATOM 1566 CB TYR A 105 16.898 5.492 -4.288 1.00 3.13 C ATOM 1567 CG TYR A 105 16.837 5.862 -5.752 1.00 74.50 C ATOM 1568 CD1 TYR A 105 17.642 6.869 -6.270 1.00 22.34 C ATOM 1569 CD2 TYR A 105 15.973 5.204 -6.620 1.00 12.00 C ATOM 1570 CE1 TYR A 105 17.589 7.211 -7.608 1.00 51.10 C ATOM 1571 CE2 TYR A 105 15.914 5.538 -7.959 1.00 50.15 C ATOM 1572 CZ TYR A 105 16.724 6.542 -8.448 1.00 33.34 C ATOM 1573 OH TYR A 105 16.668 6.878 -9.781 1.00 22.10 O ATOM 0 HA TYR A 105 18.999 5.667 -3.875 1.00 51.11 H new ATOM 0 HB2 TYR A 105 16.102 4.780 -4.068 1.00 3.13 H new ATOM 0 HB3 TYR A 105 16.705 6.382 -3.689 1.00 3.13 H new ATOM 0 HD1 TYR A 105 18.322 7.394 -5.615 1.00 22.34 H new ATOM 0 HD2 TYR A 105 15.337 4.418 -6.241 1.00 12.00 H new ATOM 0 HE1 TYR A 105 18.221 7.997 -7.993 1.00 51.10 H new ATOM 0 HE2 TYR A 105 15.237 5.016 -8.620 1.00 50.15 H new ATOM 0 HH TYR A 105 16.009 6.311 -10.234 1.00 22.10 H new ATOM 1583 N THR A 106 17.868 3.034 -2.345 1.00 40.24 N ATOM 1584 CA THR A 106 17.741 2.379 -1.049 1.00 32.41 C ATOM 1585 C THR A 106 18.977 1.545 -0.731 1.00 71.02 C ATOM 1586 O THR A 106 19.470 0.802 -1.580 1.00 75.23 O ATOM 1587 CB THR A 106 16.497 1.473 -0.997 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.318 2.244 -1.258 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.378 0.796 0.360 1.00 12.31 C ATOM 0 H THR A 106 17.738 2.415 -3.145 1.00 40.24 H new ATOM 0 HA THR A 106 17.637 3.169 -0.305 1.00 32.41 H new ATOM 0 HB THR A 106 16.602 0.703 -1.761 1.00 75.32 H new ATOM 0 HG1 THR A 106 14.531 1.660 -1.225 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.492 0.161 0.373 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.264 0.187 0.542 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.293 1.554 1.139 1.00 12.31 H new ATOM 1597 N ILE A 107 19.472 1.672 0.495 1.00 54.05 N ATOM 1598 CA ILE A 107 20.649 0.928 0.924 1.00 74.20 C ATOM 1599 C ILE A 107 20.265 -0.448 1.459 1.00 63.32 C ATOM 1600 O ILE A 107 19.657 -0.564 2.521 1.00 31.52 O ATOM 1601 CB ILE A 107 21.430 1.689 2.011 1.00 44.44 C ATOM 1602 CG1 ILE A 107 22.038 2.969 1.433 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.515 0.802 2.603 1.00 44.24 C ATOM 1604 CD1 ILE A 107 21.257 4.218 1.778 1.00 32.11 C ATOM 0 H ILE A 107 19.076 2.283 1.209 1.00 54.05 H new ATOM 0 HA ILE A 107 21.285 0.810 0.047 1.00 74.20 H new ATOM 0 HB ILE A 107 20.739 1.965 2.807 1.00 44.44 H new ATOM 0 HG12 ILE A 107 23.059 3.075 1.801 1.00 42.14 H new ATOM 0 HG13 ILE A 107 22.098 2.876 0.349 1.00 42.14 H new ATOM 0 HG21 ILE A 107 23.058 1.354 3.370 1.00 44.24 H new ATOM 0 HG22 ILE A 107 22.059 -0.083 3.047 1.00 44.24 H new ATOM 0 HG23 ILE A 107 23.206 0.498 1.817 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.745 5.086 1.336 1.00 32.11 H new ATOM 0 HD12 ILE A 107 20.243 4.133 1.386 1.00 32.11 H new ATOM 0 HD13 ILE A 107 21.219 4.336 2.861 1.00 32.11 H new ATOM 1616 N ALA A 108 20.628 -1.487 0.715 1.00 21.23 N ATOM 1617 CA ALA A 108 20.325 -2.856 1.115 1.00 2.35 C ATOM 1618 C ALA A 108 21.466 -3.454 1.930 1.00 63.45 C ATOM 1619 O ALA A 108 22.552 -3.703 1.407 1.00 51.45 O ATOM 1620 CB ALA A 108 20.041 -3.713 -0.110 1.00 32.14 C ATOM 0 H ALA A 108 21.132 -1.407 -0.168 1.00 21.23 H new ATOM 0 HA ALA A 108 19.435 -2.837 1.745 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.816 -4.733 0.203 1.00 32.14 H new ATOM 0 HB2 ALA A 108 19.188 -3.303 -0.651 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.915 -3.718 -0.761 1.00 32.14 H new ATOM 1626 N ALA A 109 21.212 -3.684 3.215 1.00 63.22 N ATOM 1627 CA ALA A 109 22.218 -4.255 4.102 1.00 54.44 C ATOM 1628 C ALA A 109 21.658 -5.445 4.873 1.00 42.04 C ATOM 1629 O ALA A 109 20.701 -5.309 5.635 1.00 35.23 O ATOM 1630 CB ALA A 109 22.734 -3.196 5.065 1.00 2.42 C ATOM 0 H ALA A 109 20.318 -3.484 3.664 1.00 63.22 H new ATOM 0 HA ALA A 109 23.047 -4.610 3.490 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.485 -3.636 5.722 1.00 2.42 H new ATOM 0 HB2 ALA A 109 23.181 -2.378 4.500 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.907 -2.815 5.664 1.00 2.42 H new ATOM 1636 N MET A 110 22.260 -6.612 4.670 1.00 0.21 N ATOM 1637 CA MET A 110 21.821 -7.827 5.347 1.00 34.20 C ATOM 1638 C MET A 110 22.867 -8.297 6.352 1.00 44.24 C ATOM 1639 O MET A 110 24.035 -8.481 6.007 1.00 31.10 O ATOM 1640 CB MET A 110 21.542 -8.933 4.328 1.00 34.11 C ATOM 1641 CG MET A 110 20.276 -8.707 3.517 1.00 44.03 C ATOM 1642 SD MET A 110 19.729 -10.193 2.655 1.00 11.42 S ATOM 1643 CE MET A 110 18.883 -11.058 3.976 1.00 12.22 C ATOM 0 H MET A 110 23.053 -6.742 4.042 1.00 0.21 H new ATOM 0 HA MET A 110 20.901 -7.600 5.886 1.00 34.20 H new ATOM 0 HB2 MET A 110 22.390 -9.012 3.648 1.00 34.11 H new ATOM 0 HB3 MET A 110 21.463 -9.886 4.851 1.00 34.11 H new ATOM 0 HG2 MET A 110 19.482 -8.363 4.179 1.00 44.03 H new ATOM 0 HG3 MET A 110 20.451 -7.914 2.790 1.00 44.03 H new ATOM 0 HE1 MET A 110 19.325 -12.046 4.106 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.981 -10.492 4.903 1.00 12.22 H new ATOM 0 HE3 MET A 110 17.828 -11.163 3.725 1.00 12.22 H new ATOM 1653 N LEU A 111 22.441 -8.490 7.595 1.00 51.13 N ATOM 1654 CA LEU A 111 23.342 -8.940 8.652 1.00 21.14 C ATOM 1655 C LEU A 111 23.425 -10.463 8.685 1.00 54.03 C ATOM 1656 O LEU A 111 22.724 -11.115 9.458 1.00 63.05 O ATOM 1657 CB LEU A 111 22.873 -8.413 10.008 1.00 12.44 C ATOM 1658 CG LEU A 111 22.662 -6.902 10.104 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.754 -6.161 9.348 1.00 71.33 C ATOM 1660 CD2 LEU A 111 21.289 -6.520 9.572 1.00 62.42 C ATOM 0 H LEU A 111 21.478 -8.342 7.897 1.00 51.13 H new ATOM 0 HA LEU A 111 24.336 -8.545 8.441 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.936 -8.908 10.263 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.604 -8.706 10.762 1.00 12.44 H new ATOM 0 HG LEU A 111 22.716 -6.613 11.154 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.587 -5.087 9.428 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.725 -6.410 9.775 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.733 -6.455 8.298 1.00 71.33 H new ATOM 0 HD21 LEU A 111 21.157 -5.441 9.648 1.00 62.42 H new ATOM 0 HD22 LEU A 111 21.206 -6.823 8.528 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.519 -7.022 10.158 1.00 62.42 H new ATOM 1672 N SER A 112 24.288 -11.023 7.843 1.00 54.12 N ATOM 1673 CA SER A 112 24.461 -12.468 7.775 1.00 12.24 C ATOM 1674 C SER A 112 24.725 -13.050 9.161 1.00 22.43 C ATOM 1675 O SER A 112 25.127 -12.349 10.090 1.00 1.40 O ATOM 1676 CB SER A 112 25.614 -12.822 6.834 1.00 43.45 C ATOM 1677 OG SER A 112 25.154 -12.991 5.505 1.00 13.22 O ATOM 0 H SER A 112 24.878 -10.497 7.198 1.00 54.12 H new ATOM 0 HA SER A 112 23.539 -12.901 7.387 1.00 12.24 H new ATOM 0 HB2 SER A 112 26.367 -12.034 6.864 1.00 43.45 H new ATOM 0 HB3 SER A 112 26.097 -13.738 7.174 1.00 43.45 H new ATOM 0 HG SER A 112 25.910 -13.215 4.923 1.00 13.22 H new