USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 785 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 19 GLN : amide:sc= 0.506 K(o=1.5,f=-12!) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -171:sc= 0.946 (180deg=0) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 127:sc= 1.63 (180deg=-0.912!) USER MOD Set 2.2: A 39 TYR OH : rot 166:sc= 1.15 USER MOD Single : A 8 THR OG1 : rot 32:sc= 0.0613 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.478 K(o=-0.48,f=-4.6!) USER MOD Single : A 27 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.2) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0227) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0408 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.868 USER MOD Single : A 38 SER OG : rot 180:sc= -0.244 USER MOD Single : A 49 GLN : amide:sc= -0.702 K(o=-0.7,f=-0.0027) USER MOD Single : A 50 GLN : amide:sc= -3.55! K(o=-3.5!,f=-0.59) USER MOD Single : A 52 LYS NZ :NH3+ -146:sc= 1.21 (180deg=0.841) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000788) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 71 ASN : amide:sc= 0.992 K(o=0.99,f=-0.11) USER MOD Single : A 72 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.48) USER MOD Single : A 74 THR OG1 : rot -12:sc= 0.901 USER MOD Single : A 78 ASN : amide:sc= -0.839 X(o=-0.84,f=-0.89) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 86 GLN : amide:sc= -2.05 K(o=-2.1,f=-0.96) USER MOD Single : A 87 ASN : amide:sc= -0.915 K(o=-0.91,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= -0.0632 (180deg=-0.357) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.444 USER MOD Single : A 92 MET CE :methyl -141:sc= -0.173 (180deg=-0.714) USER MOD Single : A 96 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.54) USER MOD Single : A 98 LYS NZ :NH3+ -170:sc=-0.00202 (180deg=-0.0953) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 8 1.705 -17.880 -6.081 1.00 24.21 N ATOM 100 CA THR A 8 1.682 -16.513 -6.610 1.00 63.20 C ATOM 101 C THR A 8 1.649 -15.505 -5.455 1.00 54.43 C ATOM 102 O THR A 8 0.597 -15.260 -4.862 1.00 30.33 O ATOM 103 CB THR A 8 0.460 -16.275 -7.537 1.00 11.30 C ATOM 104 OG1 THR A 8 0.460 -17.231 -8.614 1.00 15.20 O ATOM 105 CG2 THR A 8 0.473 -14.858 -8.112 1.00 34.11 C ATOM 0 HA THR A 8 2.588 -16.374 -7.200 1.00 63.20 H new ATOM 0 HB THR A 8 -0.443 -16.399 -6.939 1.00 11.30 H new ATOM 0 HG1 THR A 8 0.850 -18.074 -8.303 1.00 15.20 H new ATOM 0 HG21 THR A 8 -0.394 -14.719 -8.758 1.00 34.11 H new ATOM 0 HG22 THR A 8 0.439 -14.134 -7.297 1.00 34.11 H new ATOM 0 HG23 THR A 8 1.384 -14.709 -8.691 1.00 34.11 H new ATOM 113 N SER A 9 2.814 -14.951 -5.123 1.00 52.20 N ATOM 114 CA SER A 9 2.947 -14.035 -3.977 1.00 1.11 C ATOM 115 C SER A 9 2.402 -12.636 -4.296 1.00 61.03 C ATOM 116 O SER A 9 2.073 -12.328 -5.442 1.00 11.34 O ATOM 117 CB SER A 9 4.418 -13.929 -3.551 1.00 12.10 C ATOM 118 OG SER A 9 4.968 -15.208 -3.265 1.00 11.31 O ATOM 0 H SER A 9 3.684 -15.117 -5.628 1.00 52.20 H new ATOM 0 HA SER A 9 2.356 -14.449 -3.160 1.00 1.11 H new ATOM 0 HB2 SER A 9 4.995 -13.452 -4.344 1.00 12.10 H new ATOM 0 HB3 SER A 9 4.498 -13.291 -2.671 1.00 12.10 H new ATOM 0 HG SER A 9 5.906 -15.109 -2.998 1.00 11.31 H new ATOM 124 N PHE A 10 2.322 -11.784 -3.274 1.00 72.25 N ATOM 125 CA PHE A 10 1.764 -10.432 -3.427 1.00 51.14 C ATOM 126 C PHE A 10 2.725 -9.358 -2.888 1.00 61.04 C ATOM 127 O PHE A 10 3.332 -9.528 -1.829 1.00 14.53 O ATOM 128 CB PHE A 10 0.414 -10.347 -2.703 1.00 51.21 C ATOM 129 CG PHE A 10 -0.554 -11.419 -3.139 1.00 42.43 C ATOM 130 CD1 PHE A 10 -1.276 -11.282 -4.314 1.00 72.04 C ATOM 131 CD2 PHE A 10 -0.729 -12.572 -2.382 1.00 1.33 C ATOM 132 CE1 PHE A 10 -2.148 -12.271 -4.727 1.00 3.14 C ATOM 133 CE2 PHE A 10 -1.602 -13.562 -2.789 1.00 32.54 C ATOM 134 CZ PHE A 10 -2.313 -13.412 -3.964 1.00 1.12 C ATOM 0 H PHE A 10 2.636 -12.003 -2.328 1.00 72.25 H new ATOM 0 HA PHE A 10 1.621 -10.241 -4.491 1.00 51.14 H new ATOM 0 HB2 PHE A 10 0.578 -10.428 -1.628 1.00 51.21 H new ATOM 0 HB3 PHE A 10 -0.029 -9.368 -2.885 1.00 51.21 H new ATOM 0 HD1 PHE A 10 -1.156 -10.392 -4.914 1.00 72.04 H new ATOM 0 HD2 PHE A 10 -0.175 -12.695 -1.463 1.00 1.33 H new ATOM 0 HE1 PHE A 10 -2.701 -12.153 -5.647 1.00 3.14 H new ATOM 0 HE2 PHE A 10 -1.729 -14.452 -2.190 1.00 32.54 H new ATOM 0 HZ PHE A 10 -2.996 -14.184 -4.286 1.00 1.12 H new ATOM 144 N ILE A 11 2.848 -8.248 -3.617 1.00 3.32 N ATOM 145 CA ILE A 11 3.781 -7.169 -3.253 1.00 0.15 C ATOM 146 C ILE A 11 3.058 -5.817 -3.130 1.00 65.30 C ATOM 147 O ILE A 11 2.326 -5.411 -4.031 1.00 71.42 O ATOM 148 CB ILE A 11 4.917 -7.018 -4.302 1.00 34.41 C ATOM 149 CG1 ILE A 11 5.655 -8.353 -4.513 1.00 22.23 C ATOM 150 CG2 ILE A 11 5.900 -5.923 -3.881 1.00 61.54 C ATOM 151 CD1 ILE A 11 6.778 -8.274 -5.531 1.00 4.13 C ATOM 0 H ILE A 11 2.313 -8.068 -4.467 1.00 3.32 H new ATOM 0 HA ILE A 11 4.207 -7.447 -2.289 1.00 0.15 H new ATOM 0 HB ILE A 11 4.462 -6.728 -5.249 1.00 34.41 H new ATOM 0 HG12 ILE A 11 6.064 -8.687 -3.559 1.00 22.23 H new ATOM 0 HG13 ILE A 11 4.937 -9.108 -4.834 1.00 22.23 H new ATOM 0 HG21 ILE A 11 6.688 -5.834 -4.629 1.00 61.54 H new ATOM 0 HG22 ILE A 11 5.372 -4.973 -3.795 1.00 61.54 H new ATOM 0 HG23 ILE A 11 6.342 -6.181 -2.918 1.00 61.54 H new ATOM 0 HD11 ILE A 11 7.252 -9.251 -5.627 1.00 4.13 H new ATOM 0 HD12 ILE A 11 6.373 -7.971 -6.497 1.00 4.13 H new ATOM 0 HD13 ILE A 11 7.517 -7.543 -5.202 1.00 4.13 H new ATOM 163 N LEU A 12 3.283 -5.117 -2.020 1.00 33.12 N ATOM 164 CA LEU A 12 2.682 -3.794 -1.804 1.00 62.51 C ATOM 165 C LEU A 12 3.565 -2.674 -2.380 1.00 3.33 C ATOM 166 O LEU A 12 4.766 -2.604 -2.097 1.00 33.43 O ATOM 167 CB LEU A 12 2.456 -3.551 -0.307 1.00 10.13 C ATOM 168 CG LEU A 12 1.770 -2.216 0.044 1.00 71.12 C ATOM 169 CD1 LEU A 12 0.341 -2.176 -0.495 1.00 61.32 C ATOM 170 CD2 LEU A 12 1.786 -1.980 1.550 1.00 61.24 C ATOM 0 H LEU A 12 3.875 -5.440 -1.255 1.00 33.12 H new ATOM 0 HA LEU A 12 1.725 -3.778 -2.325 1.00 62.51 H new ATOM 0 HB2 LEU A 12 1.852 -4.367 0.090 1.00 10.13 H new ATOM 0 HB3 LEU A 12 3.420 -3.591 0.201 1.00 10.13 H new ATOM 0 HG LEU A 12 2.332 -1.413 -0.433 1.00 71.12 H new ATOM 0 HD11 LEU A 12 -0.120 -1.224 -0.233 1.00 61.32 H new ATOM 0 HD12 LEU A 12 0.358 -2.285 -1.579 1.00 61.32 H new ATOM 0 HD13 LEU A 12 -0.236 -2.991 -0.057 1.00 61.32 H new ATOM 0 HD21 LEU A 12 1.297 -1.032 1.775 1.00 61.24 H new ATOM 0 HD22 LEU A 12 1.256 -2.790 2.051 1.00 61.24 H new ATOM 0 HD23 LEU A 12 2.817 -1.949 1.902 1.00 61.24 H new ATOM 182 N LYS A 13 2.964 -1.805 -3.189 1.00 75.44 N ATOM 183 CA LYS A 13 3.662 -0.645 -3.760 1.00 10.41 C ATOM 184 C LYS A 13 3.043 0.670 -3.271 1.00 33.31 C ATOM 185 O LYS A 13 1.830 0.762 -3.072 1.00 41.21 O ATOM 186 CB LYS A 13 3.611 -0.681 -5.292 1.00 64.25 C ATOM 187 CG LYS A 13 4.245 -1.920 -5.914 1.00 53.23 C ATOM 188 CD LYS A 13 4.137 -1.899 -7.435 1.00 52.14 C ATOM 189 CE LYS A 13 2.685 -1.809 -7.888 1.00 14.11 C ATOM 190 NZ LYS A 13 2.559 -1.861 -9.367 1.00 70.52 N ATOM 0 H LYS A 13 1.986 -1.880 -3.469 1.00 75.44 H new ATOM 0 HA LYS A 13 4.699 -0.696 -3.428 1.00 10.41 H new ATOM 0 HB2 LYS A 13 2.570 -0.622 -5.610 1.00 64.25 H new ATOM 0 HB3 LYS A 13 4.114 0.204 -5.681 1.00 64.25 H new ATOM 0 HG2 LYS A 13 5.294 -1.978 -5.623 1.00 53.23 H new ATOM 0 HG3 LYS A 13 3.757 -2.814 -5.526 1.00 53.23 H new ATOM 0 HD2 LYS A 13 4.696 -1.050 -7.829 1.00 52.14 H new ATOM 0 HD3 LYS A 13 4.593 -2.800 -7.846 1.00 52.14 H new ATOM 0 HE2 LYS A 13 2.116 -2.628 -7.447 1.00 14.11 H new ATOM 0 HE3 LYS A 13 2.247 -0.881 -7.519 1.00 14.11 H new ATOM 0 HZ1 LYS A 13 1.885 -2.607 -9.632 1.00 70.52 H new ATOM 0 HZ2 LYS A 13 2.216 -0.944 -9.719 1.00 70.52 H new ATOM 0 HZ3 LYS A 13 3.487 -2.068 -9.787 1.00 70.52 H new ATOM 204 N VAL A 14 3.881 1.686 -3.103 1.00 34.11 N ATOM 205 CA VAL A 14 3.435 3.006 -2.652 1.00 2.34 C ATOM 206 C VAL A 14 3.983 4.121 -3.563 1.00 35.34 C ATOM 207 O VAL A 14 5.183 4.397 -3.576 1.00 23.32 O ATOM 208 CB VAL A 14 3.871 3.278 -1.187 1.00 13.45 C ATOM 209 CG1 VAL A 14 3.447 4.678 -0.739 1.00 73.43 C ATOM 210 CG2 VAL A 14 3.302 2.215 -0.247 1.00 41.03 C ATOM 0 H VAL A 14 4.885 1.623 -3.274 1.00 34.11 H new ATOM 0 HA VAL A 14 2.346 3.009 -2.703 1.00 2.34 H new ATOM 0 HB VAL A 14 4.959 3.226 -1.145 1.00 13.45 H new ATOM 0 HG11 VAL A 14 3.765 4.842 0.291 1.00 73.43 H new ATOM 0 HG12 VAL A 14 3.911 5.423 -1.385 1.00 73.43 H new ATOM 0 HG13 VAL A 14 2.363 4.768 -0.803 1.00 73.43 H new ATOM 0 HG21 VAL A 14 3.620 2.425 0.774 1.00 41.03 H new ATOM 0 HG22 VAL A 14 2.213 2.229 -0.298 1.00 41.03 H new ATOM 0 HG23 VAL A 14 3.667 1.232 -0.546 1.00 41.03 H new ATOM 220 N LEU A 15 3.097 4.744 -4.333 1.00 21.41 N ATOM 221 CA LEU A 15 3.464 5.871 -5.195 1.00 33.13 C ATOM 222 C LEU A 15 3.489 7.165 -4.363 1.00 43.32 C ATOM 223 O LEU A 15 2.445 7.654 -3.926 1.00 41.02 O ATOM 224 CB LEU A 15 2.459 5.980 -6.362 1.00 51.32 C ATOM 225 CG LEU A 15 2.952 6.710 -7.632 1.00 24.11 C ATOM 226 CD1 LEU A 15 1.901 6.619 -8.738 1.00 3.14 C ATOM 227 CD2 LEU A 15 3.289 8.173 -7.347 1.00 52.22 C ATOM 0 H LEU A 15 2.111 4.488 -4.380 1.00 21.41 H new ATOM 0 HA LEU A 15 4.458 5.711 -5.614 1.00 33.13 H new ATOM 0 HB2 LEU A 15 2.154 4.972 -6.645 1.00 51.32 H new ATOM 0 HB3 LEU A 15 1.568 6.492 -5.998 1.00 51.32 H new ATOM 0 HG LEU A 15 3.865 6.216 -7.963 1.00 24.11 H new ATOM 0 HD11 LEU A 15 2.262 7.137 -9.626 1.00 3.14 H new ATOM 0 HD12 LEU A 15 1.716 5.572 -8.979 1.00 3.14 H new ATOM 0 HD13 LEU A 15 0.975 7.082 -8.399 1.00 3.14 H new ATOM 0 HD21 LEU A 15 3.632 8.653 -8.264 1.00 52.22 H new ATOM 0 HD22 LEU A 15 2.400 8.686 -6.979 1.00 52.22 H new ATOM 0 HD23 LEU A 15 4.076 8.225 -6.594 1.00 52.22 H new ATOM 239 N TRP A 16 4.682 7.710 -4.148 1.00 54.24 N ATOM 240 CA TRP A 16 4.861 8.857 -3.253 1.00 43.43 C ATOM 241 C TRP A 16 4.925 10.186 -4.031 1.00 30.21 C ATOM 242 O TRP A 16 5.754 10.357 -4.926 1.00 33.45 O ATOM 243 CB TRP A 16 6.145 8.664 -2.432 1.00 60.42 C ATOM 244 CG TRP A 16 6.212 9.520 -1.200 1.00 32.22 C ATOM 245 CD1 TRP A 16 6.594 10.829 -1.120 1.00 61.05 C ATOM 246 CD2 TRP A 16 5.892 9.114 0.138 1.00 10.20 C ATOM 247 NE1 TRP A 16 6.527 11.260 0.182 1.00 12.32 N ATOM 248 CE2 TRP A 16 6.099 10.226 0.973 1.00 43.41 C ATOM 249 CE3 TRP A 16 5.450 7.916 0.709 1.00 4.52 C ATOM 250 CZ2 TRP A 16 5.877 10.178 2.347 1.00 53.12 C ATOM 251 CZ3 TRP A 16 5.229 7.869 2.073 1.00 5.45 C ATOM 252 CH2 TRP A 16 5.444 8.994 2.878 1.00 43.13 C ATOM 0 H TRP A 16 5.544 7.378 -4.581 1.00 54.24 H new ATOM 0 HA TRP A 16 3.998 8.909 -2.589 1.00 43.43 H new ATOM 0 HB2 TRP A 16 6.224 7.617 -2.140 1.00 60.42 H new ATOM 0 HB3 TRP A 16 7.005 8.885 -3.064 1.00 60.42 H new ATOM 0 HD1 TRP A 16 6.903 11.436 -1.958 1.00 61.05 H new ATOM 0 HE1 TRP A 16 6.758 12.198 0.508 1.00 12.32 H new ATOM 0 HE3 TRP A 16 5.284 7.043 0.095 1.00 4.52 H new ATOM 0 HZ2 TRP A 16 6.041 11.044 2.971 1.00 53.12 H new ATOM 0 HZ3 TRP A 16 4.885 6.950 2.524 1.00 5.45 H new ATOM 0 HH2 TRP A 16 5.264 8.926 3.941 1.00 43.13 H new ATOM 263 N LEU A 17 4.043 11.125 -3.675 1.00 44.04 N ATOM 264 CA LEU A 17 4.015 12.456 -4.301 1.00 5.42 C ATOM 265 C LEU A 17 4.131 13.571 -3.244 1.00 4.22 C ATOM 266 O LEU A 17 4.171 13.300 -2.045 1.00 24.23 O ATOM 267 CB LEU A 17 2.719 12.634 -5.111 1.00 12.10 C ATOM 268 CG LEU A 17 2.536 11.658 -6.289 1.00 70.11 C ATOM 269 CD1 LEU A 17 1.152 11.815 -6.917 1.00 61.33 C ATOM 270 CD2 LEU A 17 3.630 11.861 -7.339 1.00 24.22 C ATOM 0 H LEU A 17 3.335 10.989 -2.954 1.00 44.04 H new ATOM 0 HA LEU A 17 4.872 12.531 -4.971 1.00 5.42 H new ATOM 0 HB2 LEU A 17 1.871 12.524 -4.435 1.00 12.10 H new ATOM 0 HB3 LEU A 17 2.689 13.653 -5.497 1.00 12.10 H new ATOM 0 HG LEU A 17 2.620 10.643 -5.900 1.00 70.11 H new ATOM 0 HD11 LEU A 17 1.047 11.115 -7.746 1.00 61.33 H new ATOM 0 HD12 LEU A 17 0.387 11.608 -6.169 1.00 61.33 H new ATOM 0 HD13 LEU A 17 1.033 12.834 -7.285 1.00 61.33 H new ATOM 0 HD21 LEU A 17 3.480 11.161 -8.161 1.00 24.22 H new ATOM 0 HD22 LEU A 17 3.585 12.882 -7.719 1.00 24.22 H new ATOM 0 HD23 LEU A 17 4.606 11.685 -6.886 1.00 24.22 H new ATOM 282 N ASP A 18 4.173 14.827 -3.704 1.00 0.12 N ATOM 283 CA ASP A 18 4.304 15.994 -2.815 1.00 62.14 C ATOM 284 C ASP A 18 3.276 15.971 -1.663 1.00 24.23 C ATOM 285 O ASP A 18 3.644 15.950 -0.487 1.00 14.02 O ATOM 286 CB ASP A 18 4.154 17.283 -3.636 1.00 0.13 C ATOM 287 CG ASP A 18 4.269 18.532 -2.778 1.00 31.13 C ATOM 288 OD1 ASP A 18 5.379 18.819 -2.286 1.00 74.11 O ATOM 289 OD2 ASP A 18 3.246 19.224 -2.579 1.00 73.22 O ATOM 0 H ASP A 18 4.118 15.065 -4.694 1.00 0.12 H new ATOM 0 HA ASP A 18 5.294 15.957 -2.360 1.00 62.14 H new ATOM 0 HB2 ASP A 18 4.918 17.307 -4.413 1.00 0.13 H new ATOM 0 HB3 ASP A 18 3.188 17.279 -4.140 1.00 0.13 H new ATOM 294 N GLN A 19 1.990 16.000 -2.010 1.00 25.21 N ATOM 295 CA GLN A 19 0.912 15.908 -1.013 1.00 12.41 C ATOM 296 C GLN A 19 -0.118 14.836 -1.395 1.00 60.43 C ATOM 297 O GLN A 19 -1.291 14.924 -1.035 1.00 52.04 O ATOM 298 CB GLN A 19 0.228 17.273 -0.830 1.00 53.41 C ATOM 299 CG GLN A 19 1.107 18.306 -0.130 1.00 52.44 C ATOM 300 CD GLN A 19 0.380 19.607 0.159 1.00 61.24 C ATOM 301 OE1 GLN A 19 -0.237 19.765 1.207 1.00 35.23 O ATOM 302 NE2 GLN A 19 0.456 20.550 -0.757 1.00 33.32 N ATOM 0 H GLN A 19 1.664 16.086 -2.973 1.00 25.21 H new ATOM 0 HA GLN A 19 1.362 15.612 -0.065 1.00 12.41 H new ATOM 0 HB2 GLN A 19 -0.064 17.658 -1.807 1.00 53.41 H new ATOM 0 HB3 GLN A 19 -0.688 17.137 -0.255 1.00 53.41 H new ATOM 0 HG2 GLN A 19 1.475 17.887 0.806 1.00 52.44 H new ATOM 0 HG3 GLN A 19 1.978 18.514 -0.751 1.00 52.44 H new ATOM 0 HE21 GLN A 19 0.978 20.384 -1.617 1.00 33.32 H new ATOM 0 HE22 GLN A 19 -0.007 21.446 -0.606 1.00 33.32 H new ATOM 311 N ASN A 20 0.344 13.809 -2.102 1.00 71.44 N ATOM 312 CA ASN A 20 -0.499 12.664 -2.471 1.00 61.31 C ATOM 313 C ASN A 20 0.279 11.354 -2.295 1.00 74.32 C ATOM 314 O ASN A 20 1.501 11.329 -2.438 1.00 72.12 O ATOM 315 CB ASN A 20 -0.980 12.782 -3.925 1.00 74.33 C ATOM 316 CG ASN A 20 -1.869 13.993 -4.161 1.00 52.20 C ATOM 317 OD1 ASN A 20 -3.083 13.920 -4.034 1.00 64.31 O ATOM 318 ND2 ASN A 20 -1.276 15.113 -4.518 1.00 64.51 N ATOM 0 H ASN A 20 1.305 13.742 -2.436 1.00 71.44 H new ATOM 0 HA ASN A 20 -1.368 12.662 -1.814 1.00 61.31 H new ATOM 0 HB2 ASN A 20 -0.114 12.840 -4.585 1.00 74.33 H new ATOM 0 HB3 ASN A 20 -1.527 11.879 -4.195 1.00 74.33 H new ATOM 0 HD21 ASN A 20 -1.831 15.950 -4.697 1.00 64.51 H new ATOM 0 HD22 ASN A 20 -0.261 15.144 -4.616 1.00 64.51 H new ATOM 325 N VAL A 21 -0.429 10.271 -1.995 1.00 32.53 N ATOM 326 CA VAL A 21 0.200 8.956 -1.826 1.00 34.24 C ATOM 327 C VAL A 21 -0.742 7.825 -2.281 1.00 60.34 C ATOM 328 O VAL A 21 -1.884 7.729 -1.833 1.00 32.34 O ATOM 329 CB VAL A 21 0.637 8.737 -0.350 1.00 31.14 C ATOM 330 CG1 VAL A 21 -0.515 9.007 0.606 1.00 71.43 C ATOM 331 CG2 VAL A 21 1.195 7.333 -0.136 1.00 45.20 C ATOM 0 H VAL A 21 -1.440 10.273 -1.863 1.00 32.53 H new ATOM 0 HA VAL A 21 1.089 8.931 -2.457 1.00 34.24 H new ATOM 0 HB VAL A 21 1.434 9.450 -0.136 1.00 31.14 H new ATOM 0 HG11 VAL A 21 -0.182 8.846 1.631 1.00 71.43 H new ATOM 0 HG12 VAL A 21 -0.850 10.038 0.490 1.00 71.43 H new ATOM 0 HG13 VAL A 21 -1.340 8.330 0.382 1.00 71.43 H new ATOM 0 HG21 VAL A 21 1.491 7.214 0.906 1.00 45.20 H new ATOM 0 HG22 VAL A 21 0.431 6.596 -0.383 1.00 45.20 H new ATOM 0 HG23 VAL A 21 2.063 7.185 -0.779 1.00 45.20 H new ATOM 341 N ALA A 22 -0.258 6.981 -3.189 1.00 61.43 N ATOM 342 CA ALA A 22 -1.076 5.906 -3.762 1.00 2.44 C ATOM 343 C ALA A 22 -0.548 4.516 -3.392 1.00 10.11 C ATOM 344 O ALA A 22 0.658 4.309 -3.294 1.00 3.13 O ATOM 345 CB ALA A 22 -1.134 6.053 -5.276 1.00 70.10 C ATOM 0 H ALA A 22 0.697 7.018 -3.546 1.00 61.43 H new ATOM 0 HA ALA A 22 -2.078 5.996 -3.342 1.00 2.44 H new ATOM 0 HB1 ALA A 22 -1.743 5.252 -5.696 1.00 70.10 H new ATOM 0 HB2 ALA A 22 -1.575 7.016 -5.531 1.00 70.10 H new ATOM 0 HB3 ALA A 22 -0.126 5.996 -5.686 1.00 70.10 H new ATOM 351 N ILE A 23 -1.458 3.567 -3.193 1.00 20.10 N ATOM 352 CA ILE A 23 -1.079 2.177 -2.904 1.00 12.14 C ATOM 353 C ILE A 23 -1.619 1.214 -3.975 1.00 4.42 C ATOM 354 O ILE A 23 -2.703 1.423 -4.526 1.00 74.53 O ATOM 355 CB ILE A 23 -1.578 1.728 -1.505 1.00 44.51 C ATOM 356 CG1 ILE A 23 -3.107 1.877 -1.393 1.00 3.52 C ATOM 357 CG2 ILE A 23 -0.873 2.520 -0.403 1.00 31.35 C ATOM 358 CD1 ILE A 23 -3.671 1.446 -0.051 1.00 45.13 C ATOM 0 H ILE A 23 -2.464 3.730 -3.225 1.00 20.10 H new ATOM 0 HA ILE A 23 0.010 2.141 -2.914 1.00 12.14 H new ATOM 0 HB ILE A 23 -1.333 0.673 -1.379 1.00 44.51 H new ATOM 0 HG12 ILE A 23 -3.375 2.919 -1.571 1.00 3.52 H new ATOM 0 HG13 ILE A 23 -3.578 1.288 -2.180 1.00 3.52 H new ATOM 0 HG21 ILE A 23 -1.236 2.191 0.571 1.00 31.35 H new ATOM 0 HG22 ILE A 23 0.202 2.352 -0.465 1.00 31.35 H new ATOM 0 HG23 ILE A 23 -1.082 3.582 -0.528 1.00 31.35 H new ATOM 0 HD11 ILE A 23 -4.753 1.581 -0.051 1.00 45.13 H new ATOM 0 HD12 ILE A 23 -3.436 0.396 0.122 1.00 45.13 H new ATOM 0 HD13 ILE A 23 -3.230 2.052 0.741 1.00 45.13 H new ATOM 370 N ALA A 24 -0.846 0.171 -4.273 1.00 63.35 N ATOM 371 CA ALA A 24 -1.238 -0.844 -5.266 1.00 13.40 C ATOM 372 C ALA A 24 -0.444 -2.142 -5.074 1.00 73.54 C ATOM 373 O ALA A 24 0.699 -2.116 -4.625 1.00 4.34 O ATOM 374 CB ALA A 24 -1.029 -0.314 -6.680 1.00 70.04 C ATOM 0 H ALA A 24 0.062 0.001 -3.841 1.00 63.35 H new ATOM 0 HA ALA A 24 -2.296 -1.063 -5.119 1.00 13.40 H new ATOM 0 HB1 ALA A 24 -1.323 -1.076 -7.401 1.00 70.04 H new ATOM 0 HB2 ALA A 24 -1.636 0.579 -6.827 1.00 70.04 H new ATOM 0 HB3 ALA A 24 0.022 -0.065 -6.824 1.00 70.04 H new ATOM 380 N VAL A 25 -1.043 -3.276 -5.428 1.00 33.53 N ATOM 381 CA VAL A 25 -0.396 -4.582 -5.252 1.00 32.15 C ATOM 382 C VAL A 25 -0.145 -5.290 -6.596 1.00 20.42 C ATOM 383 O VAL A 25 -1.013 -5.316 -7.471 1.00 71.03 O ATOM 384 CB VAL A 25 -1.247 -5.506 -4.336 1.00 34.11 C ATOM 385 CG1 VAL A 25 -0.616 -6.894 -4.216 1.00 63.13 C ATOM 386 CG2 VAL A 25 -1.423 -4.875 -2.955 1.00 50.31 C ATOM 0 H VAL A 25 -1.975 -3.321 -5.839 1.00 33.53 H new ATOM 0 HA VAL A 25 0.568 -4.390 -4.781 1.00 32.15 H new ATOM 0 HB VAL A 25 -2.230 -5.622 -4.793 1.00 34.11 H new ATOM 0 HG11 VAL A 25 -1.232 -7.519 -3.570 1.00 63.13 H new ATOM 0 HG12 VAL A 25 -0.548 -7.350 -5.204 1.00 63.13 H new ATOM 0 HG13 VAL A 25 0.383 -6.804 -3.789 1.00 63.13 H new ATOM 0 HG21 VAL A 25 -2.021 -5.535 -2.327 1.00 50.31 H new ATOM 0 HG22 VAL A 25 -0.446 -4.725 -2.496 1.00 50.31 H new ATOM 0 HG23 VAL A 25 -1.928 -3.914 -3.056 1.00 50.31 H new ATOM 396 N ASP A 26 1.054 -5.852 -6.752 1.00 41.14 N ATOM 397 CA ASP A 26 1.381 -6.691 -7.914 1.00 61.21 C ATOM 398 C ASP A 26 1.490 -8.165 -7.505 1.00 45.33 C ATOM 399 O ASP A 26 1.930 -8.485 -6.397 1.00 12.33 O ATOM 400 CB ASP A 26 2.696 -6.241 -8.568 1.00 62.31 C ATOM 401 CG ASP A 26 2.588 -4.904 -9.283 1.00 31.13 C ATOM 402 OD1 ASP A 26 1.472 -4.356 -9.394 1.00 21.45 O ATOM 403 OD2 ASP A 26 3.629 -4.387 -9.742 1.00 51.10 O ATOM 0 H ASP A 26 1.820 -5.743 -6.087 1.00 41.14 H new ATOM 0 HA ASP A 26 0.573 -6.579 -8.638 1.00 61.21 H new ATOM 0 HB2 ASP A 26 3.469 -6.174 -7.803 1.00 62.31 H new ATOM 0 HB3 ASP A 26 3.017 -7.001 -9.280 1.00 62.31 H new ATOM 408 N GLN A 27 1.088 -9.059 -8.404 1.00 24.41 N ATOM 409 CA GLN A 27 1.161 -10.500 -8.146 1.00 23.51 C ATOM 410 C GLN A 27 2.432 -11.109 -8.765 1.00 62.02 C ATOM 411 O GLN A 27 2.797 -10.793 -9.901 1.00 33.03 O ATOM 412 CB GLN A 27 -0.086 -11.203 -8.707 1.00 61.13 C ATOM 413 CG GLN A 27 -0.193 -11.165 -10.231 1.00 31.21 C ATOM 414 CD GLN A 27 -1.421 -11.890 -10.755 1.00 34.43 C ATOM 415 OE1 GLN A 27 -2.474 -11.293 -10.946 1.00 1.05 O ATOM 416 NE2 GLN A 27 -1.298 -13.183 -10.984 1.00 55.41 N ATOM 0 H GLN A 27 0.708 -8.814 -9.318 1.00 24.41 H new ATOM 0 HA GLN A 27 1.201 -10.649 -7.067 1.00 23.51 H new ATOM 0 HB2 GLN A 27 -0.081 -12.243 -8.380 1.00 61.13 H new ATOM 0 HB3 GLN A 27 -0.975 -10.738 -8.280 1.00 61.13 H new ATOM 0 HG2 GLN A 27 -0.221 -10.127 -10.563 1.00 31.21 H new ATOM 0 HG3 GLN A 27 0.701 -11.614 -10.664 1.00 31.21 H new ATOM 0 HE21 GLN A 27 -0.406 -13.648 -10.814 1.00 55.41 H new ATOM 0 HE22 GLN A 27 -2.094 -13.717 -11.331 1.00 55.41 H new ATOM 425 N ILE A 28 3.110 -11.972 -8.018 1.00 21.41 N ATOM 426 CA ILE A 28 4.292 -12.664 -8.535 1.00 74.51 C ATOM 427 C ILE A 28 3.893 -13.956 -9.259 1.00 2.33 C ATOM 428 O ILE A 28 3.679 -14.996 -8.634 1.00 42.03 O ATOM 429 CB ILE A 28 5.314 -12.994 -7.414 1.00 42.43 C ATOM 430 CG1 ILE A 28 5.759 -11.707 -6.697 1.00 52.03 C ATOM 431 CG2 ILE A 28 6.524 -13.735 -7.989 1.00 22.23 C ATOM 432 CD1 ILE A 28 6.827 -11.923 -5.640 1.00 51.04 C ATOM 0 H ILE A 28 2.866 -12.211 -7.057 1.00 21.41 H new ATOM 0 HA ILE A 28 4.770 -11.984 -9.240 1.00 74.51 H new ATOM 0 HB ILE A 28 4.829 -13.645 -6.686 1.00 42.43 H new ATOM 0 HG12 ILE A 28 6.135 -11.002 -7.439 1.00 52.03 H new ATOM 0 HG13 ILE A 28 4.889 -11.245 -6.230 1.00 52.03 H new ATOM 0 HG21 ILE A 28 7.229 -13.957 -7.188 1.00 22.23 H new ATOM 0 HG22 ILE A 28 6.195 -14.666 -8.451 1.00 22.23 H new ATOM 0 HG23 ILE A 28 7.011 -13.110 -8.738 1.00 22.23 H new ATOM 0 HD11 ILE A 28 7.085 -10.968 -5.183 1.00 51.04 H new ATOM 0 HD12 ILE A 28 6.450 -12.602 -4.875 1.00 51.04 H new ATOM 0 HD13 ILE A 28 7.714 -12.355 -6.102 1.00 51.04 H new ATOM 444 N VAL A 29 3.768 -13.873 -10.578 1.00 64.30 N ATOM 445 CA VAL A 29 3.434 -15.035 -11.404 1.00 31.23 C ATOM 446 C VAL A 29 4.671 -15.932 -11.583 1.00 53.35 C ATOM 447 O VAL A 29 5.803 -15.456 -11.515 1.00 3.14 O ATOM 448 CB VAL A 29 2.911 -14.588 -12.800 1.00 11.33 C ATOM 449 CG1 VAL A 29 2.413 -15.776 -13.622 1.00 53.04 C ATOM 450 CG2 VAL A 29 1.819 -13.527 -12.654 1.00 53.10 C ATOM 0 H VAL A 29 3.893 -13.009 -11.105 1.00 64.30 H new ATOM 0 HA VAL A 29 2.649 -15.596 -10.897 1.00 31.23 H new ATOM 0 HB VAL A 29 3.748 -14.147 -13.341 1.00 11.33 H new ATOM 0 HG11 VAL A 29 2.056 -15.425 -14.590 1.00 53.04 H new ATOM 0 HG12 VAL A 29 3.229 -16.483 -13.771 1.00 53.04 H new ATOM 0 HG13 VAL A 29 1.598 -16.269 -13.092 1.00 53.04 H new ATOM 0 HG21 VAL A 29 1.467 -13.228 -13.642 1.00 53.10 H new ATOM 0 HG22 VAL A 29 0.987 -13.937 -12.081 1.00 53.10 H new ATOM 0 HG23 VAL A 29 2.223 -12.658 -12.135 1.00 53.10 H new ATOM 460 N GLY A 30 4.454 -17.224 -11.825 1.00 53.15 N ATOM 461 CA GLY A 30 5.569 -18.151 -12.007 1.00 72.55 C ATOM 462 C GLY A 30 6.492 -17.793 -13.177 1.00 61.11 C ATOM 463 O GLY A 30 7.529 -18.427 -13.371 1.00 22.11 O ATOM 0 H GLY A 30 3.529 -17.648 -11.899 1.00 53.15 H new ATOM 0 HA2 GLY A 30 6.157 -18.181 -11.090 1.00 72.55 H new ATOM 0 HA3 GLY A 30 5.172 -19.154 -12.164 1.00 72.55 H new ATOM 467 N LYS A 31 6.106 -16.788 -13.967 1.00 3.21 N ATOM 468 CA LYS A 31 6.913 -16.328 -15.107 1.00 0.04 C ATOM 469 C LYS A 31 7.424 -14.884 -14.895 1.00 54.31 C ATOM 470 O LYS A 31 8.273 -14.402 -15.646 1.00 55.24 O ATOM 471 CB LYS A 31 6.090 -16.398 -16.409 1.00 41.34 C ATOM 472 CG LYS A 31 5.594 -17.794 -16.793 1.00 4.52 C ATOM 473 CD LYS A 31 4.428 -18.250 -15.918 1.00 71.42 C ATOM 474 CE LYS A 31 3.740 -19.479 -16.493 1.00 54.24 C ATOM 475 NZ LYS A 31 4.665 -20.637 -16.625 1.00 54.15 N ATOM 0 H LYS A 31 5.235 -16.273 -13.839 1.00 3.21 H new ATOM 0 HA LYS A 31 7.776 -16.989 -15.185 1.00 0.04 H new ATOM 0 HB2 LYS A 31 5.228 -15.738 -16.311 1.00 41.34 H new ATOM 0 HB3 LYS A 31 6.698 -16.009 -17.226 1.00 41.34 H new ATOM 0 HG2 LYS A 31 5.284 -17.793 -17.838 1.00 4.52 H new ATOM 0 HG3 LYS A 31 6.414 -18.507 -16.704 1.00 4.52 H new ATOM 0 HD2 LYS A 31 4.791 -18.472 -14.915 1.00 71.42 H new ATOM 0 HD3 LYS A 31 3.705 -17.439 -15.823 1.00 71.42 H new ATOM 0 HE2 LYS A 31 2.903 -19.757 -15.852 1.00 54.24 H new ATOM 0 HE3 LYS A 31 3.325 -19.236 -17.471 1.00 54.24 H new ATOM 0 HZ1 LYS A 31 4.129 -21.477 -16.924 1.00 54.15 H new ATOM 0 HZ2 LYS A 31 5.394 -20.420 -17.335 1.00 54.15 H new ATOM 0 HZ3 LYS A 31 5.119 -20.825 -15.709 1.00 54.15 H new ATOM 489 N GLY A 32 6.912 -14.206 -13.866 1.00 31.14 N ATOM 490 CA GLY A 32 7.267 -12.815 -13.615 1.00 71.45 C ATOM 491 C GLY A 32 6.178 -12.065 -12.849 1.00 75.44 C ATOM 492 O GLY A 32 5.118 -12.615 -12.567 1.00 73.03 O ATOM 0 H GLY A 32 6.252 -14.600 -13.196 1.00 31.14 H new ATOM 0 HA2 GLY A 32 8.198 -12.777 -13.049 1.00 71.45 H new ATOM 0 HA3 GLY A 32 7.451 -12.313 -14.565 1.00 71.45 H new ATOM 496 N THR A 33 6.431 -10.809 -12.512 1.00 75.01 N ATOM 497 CA THR A 33 5.455 -9.994 -11.766 1.00 1.21 C ATOM 498 C THR A 33 4.469 -9.285 -12.702 1.00 51.04 C ATOM 499 O THR A 33 4.845 -8.796 -13.772 1.00 50.42 O ATOM 500 CB THR A 33 6.146 -8.931 -10.876 1.00 54.44 C ATOM 501 OG1 THR A 33 6.976 -8.072 -11.677 1.00 63.51 O ATOM 502 CG2 THR A 33 6.988 -9.592 -9.790 1.00 12.12 C ATOM 0 H THR A 33 7.299 -10.323 -12.738 1.00 75.01 H new ATOM 0 HA THR A 33 4.910 -10.692 -11.131 1.00 1.21 H new ATOM 0 HB THR A 33 5.368 -8.336 -10.398 1.00 54.44 H new ATOM 0 HG1 THR A 33 7.405 -7.404 -11.103 1.00 63.51 H new ATOM 0 HG21 THR A 33 7.462 -8.824 -9.179 1.00 12.12 H new ATOM 0 HG22 THR A 33 6.349 -10.212 -9.161 1.00 12.12 H new ATOM 0 HG23 THR A 33 7.755 -10.213 -10.252 1.00 12.12 H new ATOM 510 N SER A 34 3.207 -9.230 -12.285 1.00 3.41 N ATOM 511 CA SER A 34 2.140 -8.596 -13.074 1.00 64.12 C ATOM 512 C SER A 34 1.224 -7.754 -12.172 1.00 11.42 C ATOM 513 O SER A 34 0.912 -8.163 -11.053 1.00 73.42 O ATOM 514 CB SER A 34 1.306 -9.666 -13.796 1.00 1.05 C ATOM 515 OG SER A 34 0.248 -9.086 -14.550 1.00 44.52 O ATOM 0 H SER A 34 2.890 -9.619 -11.397 1.00 3.41 H new ATOM 0 HA SER A 34 2.606 -7.942 -13.811 1.00 64.12 H new ATOM 0 HB2 SER A 34 1.950 -10.245 -14.458 1.00 1.05 H new ATOM 0 HB3 SER A 34 0.894 -10.361 -13.065 1.00 1.05 H new ATOM 0 HG SER A 34 -0.261 -9.794 -14.997 1.00 44.52 H new ATOM 521 N PRO A 35 0.776 -6.572 -12.642 1.00 30.41 N ATOM 522 CA PRO A 35 -0.114 -5.694 -11.859 1.00 33.32 C ATOM 523 C PRO A 35 -1.418 -6.393 -11.428 1.00 13.14 C ATOM 524 O PRO A 35 -2.184 -6.885 -12.263 1.00 55.43 O ATOM 525 CB PRO A 35 -0.406 -4.520 -12.814 1.00 41.14 C ATOM 526 CG PRO A 35 -0.027 -5.015 -14.173 1.00 63.31 C ATOM 527 CD PRO A 35 1.096 -5.991 -13.956 1.00 22.45 C ATOM 0 HA PRO A 35 0.351 -5.385 -10.923 1.00 33.32 H new ATOM 0 HB2 PRO A 35 -1.458 -4.236 -12.778 1.00 41.14 H new ATOM 0 HB3 PRO A 35 0.173 -3.637 -12.541 1.00 41.14 H new ATOM 0 HG2 PRO A 35 -0.873 -5.496 -14.664 1.00 63.31 H new ATOM 0 HG3 PRO A 35 0.289 -4.192 -14.815 1.00 63.31 H new ATOM 0 HD2 PRO A 35 1.128 -6.751 -14.737 1.00 22.45 H new ATOM 0 HD3 PRO A 35 2.067 -5.496 -13.953 1.00 22.45 H new ATOM 535 N LEU A 36 -1.662 -6.444 -10.118 1.00 61.42 N ATOM 536 CA LEU A 36 -2.853 -7.104 -9.572 1.00 25.13 C ATOM 537 C LEU A 36 -3.991 -6.097 -9.339 1.00 45.22 C ATOM 538 O LEU A 36 -5.149 -6.358 -9.686 1.00 34.45 O ATOM 539 CB LEU A 36 -2.506 -7.818 -8.256 1.00 44.24 C ATOM 540 CG LEU A 36 -3.659 -8.594 -7.602 1.00 12.41 C ATOM 541 CD1 LEU A 36 -4.102 -9.752 -8.491 1.00 32.12 C ATOM 542 CD2 LEU A 36 -3.254 -9.093 -6.217 1.00 62.30 C ATOM 0 H LEU A 36 -1.050 -6.035 -9.412 1.00 61.42 H new ATOM 0 HA LEU A 36 -3.194 -7.839 -10.301 1.00 25.13 H new ATOM 0 HB2 LEU A 36 -1.685 -8.510 -8.444 1.00 44.24 H new ATOM 0 HB3 LEU A 36 -2.141 -7.076 -7.546 1.00 44.24 H new ATOM 0 HG LEU A 36 -4.505 -7.917 -7.484 1.00 12.41 H new ATOM 0 HD11 LEU A 36 -4.919 -10.289 -8.009 1.00 32.12 H new ATOM 0 HD12 LEU A 36 -4.439 -9.364 -9.452 1.00 32.12 H new ATOM 0 HD13 LEU A 36 -3.264 -10.432 -8.647 1.00 32.12 H new ATOM 0 HD21 LEU A 36 -4.084 -9.640 -5.770 1.00 62.30 H new ATOM 0 HD22 LEU A 36 -2.391 -9.753 -6.306 1.00 62.30 H new ATOM 0 HD23 LEU A 36 -2.998 -8.243 -5.585 1.00 62.30 H new ATOM 554 N THR A 37 -3.657 -4.956 -8.739 1.00 43.31 N ATOM 555 CA THR A 37 -4.640 -3.893 -8.473 1.00 25.33 C ATOM 556 C THR A 37 -4.185 -2.554 -9.067 1.00 52.01 C ATOM 557 O THR A 37 -3.009 -2.368 -9.387 1.00 73.40 O ATOM 558 CB THR A 37 -4.876 -3.685 -6.953 1.00 31.11 C ATOM 559 OG1 THR A 37 -3.729 -3.065 -6.353 1.00 5.04 O ATOM 560 CG2 THR A 37 -5.163 -5.008 -6.246 1.00 62.25 C ATOM 0 H THR A 37 -2.711 -4.738 -8.425 1.00 43.31 H new ATOM 0 HA THR A 37 -5.568 -4.218 -8.943 1.00 25.33 H new ATOM 0 HB THR A 37 -5.746 -3.038 -6.841 1.00 31.11 H new ATOM 0 HG1 THR A 37 -3.890 -2.937 -5.395 1.00 5.04 H new ATOM 0 HG21 THR A 37 -5.323 -4.825 -5.183 1.00 62.25 H new ATOM 0 HG22 THR A 37 -6.056 -5.463 -6.675 1.00 62.25 H new ATOM 0 HG23 THR A 37 -4.315 -5.681 -6.375 1.00 62.25 H new ATOM 568 N SER A 38 -5.122 -1.622 -9.212 1.00 44.10 N ATOM 569 CA SER A 38 -4.798 -0.266 -9.680 1.00 64.24 C ATOM 570 C SER A 38 -4.236 0.593 -8.538 1.00 54.23 C ATOM 571 O SER A 38 -4.213 0.171 -7.380 1.00 55.25 O ATOM 572 CB SER A 38 -6.041 0.414 -10.275 1.00 52.34 C ATOM 573 OG SER A 38 -5.735 1.714 -10.764 1.00 0.34 O ATOM 0 H SER A 38 -6.111 -1.774 -9.014 1.00 44.10 H new ATOM 0 HA SER A 38 -4.037 -0.358 -10.455 1.00 64.24 H new ATOM 0 HB2 SER A 38 -6.440 -0.197 -11.085 1.00 52.34 H new ATOM 0 HB3 SER A 38 -6.819 0.483 -9.515 1.00 52.34 H new ATOM 0 HG SER A 38 -6.544 2.122 -11.138 1.00 0.34 H new ATOM 579 N TYR A 39 -3.788 1.802 -8.864 1.00 32.42 N ATOM 580 CA TYR A 39 -3.208 2.709 -7.867 1.00 20.45 C ATOM 581 C TYR A 39 -4.289 3.562 -7.187 1.00 43.11 C ATOM 582 O TYR A 39 -4.941 4.395 -7.820 1.00 71.45 O ATOM 583 CB TYR A 39 -2.144 3.606 -8.517 1.00 54.01 C ATOM 584 CG TYR A 39 -0.908 2.842 -8.959 1.00 31.31 C ATOM 585 CD1 TYR A 39 -0.853 2.219 -10.205 1.00 32.02 C ATOM 586 CD2 TYR A 39 0.199 2.725 -8.120 1.00 45.53 C ATOM 587 CE1 TYR A 39 0.264 1.505 -10.597 1.00 51.13 C ATOM 588 CE2 TYR A 39 1.319 2.018 -8.510 1.00 31.03 C ATOM 589 CZ TYR A 39 1.345 1.409 -9.747 1.00 32.54 C ATOM 590 OH TYR A 39 2.456 0.689 -10.130 1.00 51.54 O ATOM 0 H TYR A 39 -3.814 2.181 -9.811 1.00 32.42 H new ATOM 0 HA TYR A 39 -2.734 2.101 -7.097 1.00 20.45 H new ATOM 0 HB2 TYR A 39 -2.580 4.110 -9.380 1.00 54.01 H new ATOM 0 HB3 TYR A 39 -1.850 4.382 -7.810 1.00 54.01 H new ATOM 0 HD1 TYR A 39 -1.697 2.295 -10.875 1.00 32.02 H new ATOM 0 HD2 TYR A 39 0.180 3.196 -7.148 1.00 45.53 H new ATOM 0 HE1 TYR A 39 0.290 1.025 -11.564 1.00 51.13 H new ATOM 0 HE2 TYR A 39 2.170 1.942 -7.850 1.00 31.03 H new ATOM 0 HH TYR A 39 3.206 0.904 -9.537 1.00 51.54 H new ATOM 600 N PHE A 40 -4.477 3.332 -5.889 1.00 41.12 N ATOM 601 CA PHE A 40 -5.482 4.051 -5.099 1.00 63.42 C ATOM 602 C PHE A 40 -4.851 5.251 -4.370 1.00 13.12 C ATOM 603 O PHE A 40 -3.985 5.077 -3.511 1.00 0.12 O ATOM 604 CB PHE A 40 -6.120 3.089 -4.089 1.00 25.44 C ATOM 605 CG PHE A 40 -6.538 1.773 -4.698 1.00 62.04 C ATOM 606 CD1 PHE A 40 -7.565 1.719 -5.631 1.00 54.15 C ATOM 607 CD2 PHE A 40 -5.901 0.591 -4.344 1.00 25.43 C ATOM 608 CE1 PHE A 40 -7.945 0.516 -6.196 1.00 63.32 C ATOM 609 CE2 PHE A 40 -6.279 -0.614 -4.904 1.00 64.54 C ATOM 610 CZ PHE A 40 -7.301 -0.652 -5.832 1.00 33.11 C ATOM 0 H PHE A 40 -3.942 2.647 -5.355 1.00 41.12 H new ATOM 0 HA PHE A 40 -6.251 4.433 -5.771 1.00 63.42 H new ATOM 0 HB2 PHE A 40 -5.412 2.899 -3.282 1.00 25.44 H new ATOM 0 HB3 PHE A 40 -6.992 3.568 -3.643 1.00 25.44 H new ATOM 0 HD1 PHE A 40 -8.073 2.628 -5.919 1.00 54.15 H new ATOM 0 HD2 PHE A 40 -5.099 0.614 -3.621 1.00 25.43 H new ATOM 0 HE1 PHE A 40 -8.745 0.489 -6.921 1.00 63.32 H new ATOM 0 HE2 PHE A 40 -5.776 -1.525 -4.616 1.00 64.54 H new ATOM 0 HZ PHE A 40 -7.597 -1.593 -6.273 1.00 33.11 H new ATOM 620 N PHE A 41 -5.300 6.464 -4.703 1.00 50.21 N ATOM 621 CA PHE A 41 -4.663 7.697 -4.211 1.00 64.11 C ATOM 622 C PHE A 41 -5.327 8.267 -2.941 1.00 53.13 C ATOM 623 O PHE A 41 -6.453 8.758 -2.971 1.00 50.43 O ATOM 624 CB PHE A 41 -4.658 8.766 -5.317 1.00 41.34 C ATOM 625 CG PHE A 41 -3.675 8.490 -6.426 1.00 45.22 C ATOM 626 CD1 PHE A 41 -3.957 7.554 -7.411 1.00 44.22 C ATOM 627 CD2 PHE A 41 -2.466 9.171 -6.483 1.00 22.33 C ATOM 628 CE1 PHE A 41 -3.055 7.304 -8.427 1.00 31.20 C ATOM 629 CE2 PHE A 41 -1.561 8.925 -7.497 1.00 45.12 C ATOM 630 CZ PHE A 41 -1.856 7.990 -8.470 1.00 63.34 C ATOM 0 H PHE A 41 -6.103 6.623 -5.312 1.00 50.21 H new ATOM 0 HA PHE A 41 -3.643 7.427 -3.938 1.00 64.11 H new ATOM 0 HB2 PHE A 41 -5.659 8.841 -5.742 1.00 41.34 H new ATOM 0 HB3 PHE A 41 -4.427 9.734 -4.872 1.00 41.34 H new ATOM 0 HD1 PHE A 41 -4.892 7.015 -7.383 1.00 44.22 H new ATOM 0 HD2 PHE A 41 -2.230 9.903 -5.724 1.00 22.33 H new ATOM 0 HE1 PHE A 41 -3.287 6.573 -9.187 1.00 31.20 H new ATOM 0 HE2 PHE A 41 -0.625 9.462 -7.529 1.00 45.12 H new ATOM 0 HZ PHE A 41 -1.150 7.795 -9.264 1.00 63.34 H new ATOM 640 N TRP A 42 -4.596 8.204 -1.835 1.00 22.13 N ATOM 641 CA TRP A 42 -4.977 8.860 -0.578 1.00 53.45 C ATOM 642 C TRP A 42 -4.276 10.237 -0.472 1.00 62.34 C ATOM 643 O TRP A 42 -3.108 10.367 -0.837 1.00 41.42 O ATOM 644 CB TRP A 42 -4.600 7.931 0.598 1.00 12.22 C ATOM 645 CG TRP A 42 -4.446 8.605 1.938 1.00 13.41 C ATOM 646 CD1 TRP A 42 -3.274 9.014 2.510 1.00 31.52 C ATOM 647 CD2 TRP A 42 -5.481 8.928 2.881 1.00 24.54 C ATOM 648 NE1 TRP A 42 -3.510 9.571 3.735 1.00 22.21 N ATOM 649 CE2 TRP A 42 -4.856 9.535 3.990 1.00 10.33 C ATOM 650 CE3 TRP A 42 -6.872 8.770 2.899 1.00 11.44 C ATOM 651 CZ2 TRP A 42 -5.570 9.980 5.100 1.00 21.11 C ATOM 652 CZ3 TRP A 42 -7.580 9.214 4.002 1.00 60.44 C ATOM 653 CH2 TRP A 42 -6.929 9.814 5.088 1.00 53.21 C ATOM 0 H TRP A 42 -3.715 7.694 -1.779 1.00 22.13 H new ATOM 0 HA TRP A 42 -6.052 9.039 -0.548 1.00 53.45 H new ATOM 0 HB2 TRP A 42 -5.363 7.158 0.686 1.00 12.22 H new ATOM 0 HB3 TRP A 42 -3.664 7.428 0.355 1.00 12.22 H new ATOM 0 HD1 TRP A 42 -2.299 8.911 2.057 1.00 31.52 H new ATOM 0 HE1 TRP A 42 -2.799 9.952 4.359 1.00 22.21 H new ATOM 0 HE3 TRP A 42 -7.384 8.310 2.067 1.00 11.44 H new ATOM 0 HZ2 TRP A 42 -5.070 10.439 5.940 1.00 21.11 H new ATOM 0 HZ3 TRP A 42 -8.653 9.096 4.026 1.00 60.44 H new ATOM 0 HH2 TRP A 42 -7.511 10.152 5.933 1.00 53.21 H new ATOM 664 N PRO A 43 -4.973 11.299 0.003 1.00 12.04 N ATOM 665 CA PRO A 43 -6.368 11.254 0.457 1.00 42.32 C ATOM 666 C PRO A 43 -7.395 11.664 -0.620 1.00 34.05 C ATOM 667 O PRO A 43 -8.435 12.238 -0.305 1.00 15.21 O ATOM 668 CB PRO A 43 -6.341 12.282 1.590 1.00 34.41 C ATOM 669 CG PRO A 43 -5.381 13.335 1.120 1.00 4.44 C ATOM 670 CD PRO A 43 -4.418 12.660 0.159 1.00 74.11 C ATOM 0 HA PRO A 43 -6.683 10.248 0.734 1.00 42.32 H new ATOM 0 HB2 PRO A 43 -7.331 12.700 1.770 1.00 34.41 H new ATOM 0 HB3 PRO A 43 -6.010 11.832 2.526 1.00 34.41 H new ATOM 0 HG2 PRO A 43 -5.912 14.148 0.626 1.00 4.44 H new ATOM 0 HG3 PRO A 43 -4.844 13.771 1.962 1.00 4.44 H new ATOM 0 HD2 PRO A 43 -4.371 13.185 -0.795 1.00 74.11 H new ATOM 0 HD3 PRO A 43 -3.404 12.635 0.559 1.00 74.11 H new ATOM 678 N ARG A 44 -7.109 11.358 -1.884 1.00 31.20 N ATOM 679 CA ARG A 44 -8.030 11.684 -2.985 1.00 64.32 C ATOM 680 C ARG A 44 -9.227 10.716 -2.998 1.00 34.31 C ATOM 681 O ARG A 44 -10.303 11.032 -3.515 1.00 53.54 O ATOM 682 CB ARG A 44 -7.283 11.638 -4.327 1.00 63.31 C ATOM 683 CG ARG A 44 -5.961 12.399 -4.303 1.00 50.12 C ATOM 684 CD ARG A 44 -5.247 12.365 -5.652 1.00 13.01 C ATOM 685 NE ARG A 44 -5.896 13.213 -6.651 1.00 61.31 N ATOM 686 CZ ARG A 44 -5.383 14.323 -7.110 1.00 5.23 C ATOM 687 NH1 ARG A 44 -4.299 14.810 -6.600 1.00 21.13 N ATOM 688 NH2 ARG A 44 -5.974 14.968 -8.054 1.00 33.25 N ATOM 0 H ARG A 44 -6.253 10.887 -2.176 1.00 31.20 H new ATOM 0 HA ARG A 44 -8.413 12.693 -2.832 1.00 64.32 H new ATOM 0 HB2 ARG A 44 -7.092 10.599 -4.594 1.00 63.31 H new ATOM 0 HB3 ARG A 44 -7.921 12.055 -5.106 1.00 63.31 H new ATOM 0 HG2 ARG A 44 -6.146 13.435 -4.019 1.00 50.12 H new ATOM 0 HG3 ARG A 44 -5.311 11.970 -3.540 1.00 50.12 H new ATOM 0 HD2 ARG A 44 -4.214 12.689 -5.521 1.00 13.01 H new ATOM 0 HD3 ARG A 44 -5.215 11.338 -6.017 1.00 13.01 H new ATOM 0 HE ARG A 44 -6.804 12.920 -7.011 1.00 61.31 H new ATOM 0 HH11 ARG A 44 -3.835 14.326 -5.831 1.00 21.13 H new ATOM 0 HH12 ARG A 44 -3.908 15.678 -6.967 1.00 21.13 H new ATOM 0 HH21 ARG A 44 -6.846 14.613 -8.446 1.00 33.25 H new ATOM 0 HH22 ARG A 44 -5.570 15.835 -8.410 1.00 33.25 H new ATOM 702 N ALA A 45 -9.014 9.534 -2.425 1.00 74.44 N ATOM 703 CA ALA A 45 -10.062 8.522 -2.264 1.00 64.15 C ATOM 704 C ALA A 45 -9.712 7.548 -1.126 1.00 3.40 C ATOM 705 O ALA A 45 -8.595 7.567 -0.601 1.00 3.24 O ATOM 706 CB ALA A 45 -10.269 7.761 -3.571 1.00 0.15 C ATOM 0 H ALA A 45 -8.107 9.247 -2.057 1.00 74.44 H new ATOM 0 HA ALA A 45 -10.991 9.030 -2.004 1.00 64.15 H new ATOM 0 HB1 ALA A 45 -11.050 7.013 -3.437 1.00 0.15 H new ATOM 0 HB2 ALA A 45 -10.565 8.458 -4.355 1.00 0.15 H new ATOM 0 HB3 ALA A 45 -9.340 7.268 -3.856 1.00 0.15 H new ATOM 712 N ASP A 46 -10.669 6.702 -0.744 1.00 11.42 N ATOM 713 CA ASP A 46 -10.443 5.698 0.302 1.00 50.14 C ATOM 714 C ASP A 46 -9.508 4.582 -0.195 1.00 4.24 C ATOM 715 O ASP A 46 -9.950 3.495 -0.569 1.00 33.43 O ATOM 716 CB ASP A 46 -11.780 5.113 0.783 1.00 11.14 C ATOM 717 CG ASP A 46 -12.611 6.129 1.550 1.00 10.31 C ATOM 718 OD1 ASP A 46 -12.970 7.173 0.966 1.00 55.24 O ATOM 719 OD2 ASP A 46 -12.892 5.900 2.747 1.00 13.32 O ATOM 0 H ASP A 46 -11.608 6.690 -1.141 1.00 11.42 H new ATOM 0 HA ASP A 46 -9.958 6.190 1.145 1.00 50.14 H new ATOM 0 HB2 ASP A 46 -12.348 4.756 -0.076 1.00 11.14 H new ATOM 0 HB3 ASP A 46 -11.588 4.249 1.419 1.00 11.14 H new ATOM 724 N ALA A 47 -8.208 4.872 -0.197 1.00 53.45 N ATOM 725 CA ALA A 47 -7.194 3.955 -0.730 1.00 42.34 C ATOM 726 C ALA A 47 -7.231 2.577 -0.053 1.00 44.03 C ATOM 727 O ALA A 47 -7.263 1.545 -0.727 1.00 63.33 O ATOM 728 CB ALA A 47 -5.808 4.577 -0.592 1.00 33.22 C ATOM 0 H ALA A 47 -7.826 5.744 0.168 1.00 53.45 H new ATOM 0 HA ALA A 47 -7.422 3.795 -1.784 1.00 42.34 H new ATOM 0 HB1 ALA A 47 -5.060 3.891 -0.990 1.00 33.22 H new ATOM 0 HB2 ALA A 47 -5.773 5.514 -1.148 1.00 33.22 H new ATOM 0 HB3 ALA A 47 -5.599 4.771 0.460 1.00 33.22 H new ATOM 734 N TRP A 48 -7.238 2.567 1.276 1.00 54.12 N ATOM 735 CA TRP A 48 -7.218 1.315 2.041 1.00 1.11 C ATOM 736 C TRP A 48 -8.500 0.498 1.802 1.00 53.14 C ATOM 737 O TRP A 48 -8.451 -0.720 1.596 1.00 30.25 O ATOM 738 CB TRP A 48 -7.047 1.623 3.534 1.00 64.43 C ATOM 739 CG TRP A 48 -6.690 0.422 4.357 1.00 31.31 C ATOM 740 CD1 TRP A 48 -5.456 -0.149 4.476 1.00 70.43 C ATOM 741 CD2 TRP A 48 -7.571 -0.352 5.181 1.00 64.14 C ATOM 742 NE1 TRP A 48 -5.515 -1.227 5.322 1.00 51.14 N ATOM 743 CE2 TRP A 48 -6.801 -1.373 5.768 1.00 71.43 C ATOM 744 CE3 TRP A 48 -8.935 -0.278 5.481 1.00 23.44 C ATOM 745 CZ2 TRP A 48 -7.348 -2.317 6.632 1.00 42.11 C ATOM 746 CZ3 TRP A 48 -9.477 -1.214 6.341 1.00 71.55 C ATOM 747 CH2 TRP A 48 -8.685 -2.221 6.909 1.00 42.15 C ATOM 0 H TRP A 48 -7.257 3.410 1.850 1.00 54.12 H new ATOM 0 HA TRP A 48 -6.374 0.715 1.701 1.00 1.11 H new ATOM 0 HB2 TRP A 48 -6.271 2.379 3.654 1.00 64.43 H new ATOM 0 HB3 TRP A 48 -7.973 2.053 3.916 1.00 64.43 H new ATOM 0 HD1 TRP A 48 -4.563 0.198 3.977 1.00 70.43 H new ATOM 0 HE1 TRP A 48 -4.728 -1.823 5.577 1.00 51.14 H new ATOM 0 HE3 TRP A 48 -9.553 0.496 5.049 1.00 23.44 H new ATOM 0 HZ2 TRP A 48 -6.740 -3.096 7.068 1.00 42.11 H new ATOM 0 HZ3 TRP A 48 -10.529 -1.169 6.580 1.00 71.55 H new ATOM 0 HH2 TRP A 48 -9.139 -2.936 7.579 1.00 42.15 H new ATOM 758 N GLN A 49 -9.645 1.179 1.826 1.00 73.22 N ATOM 759 CA GLN A 49 -10.939 0.542 1.555 1.00 1.41 C ATOM 760 C GLN A 49 -10.991 -0.049 0.135 1.00 61.13 C ATOM 761 O GLN A 49 -11.499 -1.152 -0.072 1.00 23.11 O ATOM 762 CB GLN A 49 -12.071 1.564 1.752 1.00 73.15 C ATOM 763 CG GLN A 49 -13.469 1.043 1.416 1.00 35.51 C ATOM 764 CD GLN A 49 -13.893 -0.161 2.248 1.00 53.21 C ATOM 765 OE1 GLN A 49 -14.664 -0.999 1.791 1.00 11.04 O ATOM 766 NE2 GLN A 49 -13.417 -0.252 3.479 1.00 64.14 N ATOM 0 H GLN A 49 -9.706 2.176 2.031 1.00 73.22 H new ATOM 0 HA GLN A 49 -11.068 -0.281 2.258 1.00 1.41 H new ATOM 0 HB2 GLN A 49 -12.063 1.899 2.789 1.00 73.15 H new ATOM 0 HB3 GLN A 49 -11.865 2.437 1.133 1.00 73.15 H new ATOM 0 HG2 GLN A 49 -14.191 1.846 1.562 1.00 35.51 H new ATOM 0 HG3 GLN A 49 -13.502 0.773 0.360 1.00 35.51 H new ATOM 0 HE21 GLN A 49 -12.777 0.460 3.832 1.00 64.14 H new ATOM 0 HE22 GLN A 49 -13.690 -1.034 4.075 1.00 64.14 H new ATOM 775 N GLN A 50 -10.456 0.687 -0.835 1.00 61.12 N ATOM 776 CA GLN A 50 -10.419 0.224 -2.230 1.00 21.14 C ATOM 777 C GLN A 50 -9.454 -0.963 -2.408 1.00 45.02 C ATOM 778 O GLN A 50 -9.725 -1.888 -3.174 1.00 73.22 O ATOM 779 CB GLN A 50 -10.016 1.377 -3.159 1.00 30.41 C ATOM 780 CG GLN A 50 -11.028 2.522 -3.200 1.00 11.45 C ATOM 781 CD GLN A 50 -10.542 3.727 -3.995 1.00 31.21 C ATOM 782 OE1 GLN A 50 -11.327 4.440 -4.606 1.00 11.23 O ATOM 783 NE2 GLN A 50 -9.247 3.980 -3.977 1.00 1.13 N ATOM 0 H GLN A 50 -10.041 1.607 -0.687 1.00 61.12 H new ATOM 0 HA GLN A 50 -11.420 -0.118 -2.494 1.00 21.14 H new ATOM 0 HB2 GLN A 50 -9.051 1.769 -2.838 1.00 30.41 H new ATOM 0 HB3 GLN A 50 -9.882 0.988 -4.168 1.00 30.41 H new ATOM 0 HG2 GLN A 50 -11.959 2.159 -3.636 1.00 11.45 H new ATOM 0 HG3 GLN A 50 -11.254 2.835 -2.181 1.00 11.45 H new ATOM 0 HE21 GLN A 50 -8.615 3.369 -3.459 1.00 1.13 H new ATOM 0 HE22 GLN A 50 -8.878 4.787 -4.481 1.00 1.13 H new ATOM 792 N LEU A 51 -8.330 -0.930 -1.692 1.00 45.11 N ATOM 793 CA LEU A 51 -7.344 -2.019 -1.745 1.00 1.04 C ATOM 794 C LEU A 51 -7.963 -3.357 -1.307 1.00 70.22 C ATOM 795 O LEU A 51 -7.896 -4.355 -2.032 1.00 13.21 O ATOM 796 CB LEU A 51 -6.135 -1.686 -0.857 1.00 24.13 C ATOM 797 CG LEU A 51 -5.013 -2.742 -0.848 1.00 73.42 C ATOM 798 CD1 LEU A 51 -4.427 -2.933 -2.247 1.00 71.20 C ATOM 799 CD2 LEU A 51 -3.918 -2.362 0.148 1.00 31.34 C ATOM 0 H LEU A 51 -8.076 -0.164 -1.068 1.00 45.11 H new ATOM 0 HA LEU A 51 -7.014 -2.120 -2.779 1.00 1.04 H new ATOM 0 HB2 LEU A 51 -5.714 -0.736 -1.186 1.00 24.13 H new ATOM 0 HB3 LEU A 51 -6.485 -1.543 0.165 1.00 24.13 H new ATOM 0 HG LEU A 51 -5.449 -3.690 -0.533 1.00 73.42 H new ATOM 0 HD11 LEU A 51 -3.637 -3.684 -2.211 1.00 71.20 H new ATOM 0 HD12 LEU A 51 -5.211 -3.263 -2.928 1.00 71.20 H new ATOM 0 HD13 LEU A 51 -4.014 -1.988 -2.600 1.00 71.20 H new ATOM 0 HD21 LEU A 51 -3.137 -3.122 0.137 1.00 31.34 H new ATOM 0 HD22 LEU A 51 -3.491 -1.399 -0.131 1.00 31.34 H new ATOM 0 HD23 LEU A 51 -4.344 -2.294 1.149 1.00 31.34 H new ATOM 811 N LYS A 52 -8.571 -3.374 -0.122 1.00 23.53 N ATOM 812 CA LYS A 52 -9.221 -4.587 0.384 1.00 15.11 C ATOM 813 C LYS A 52 -10.422 -4.976 -0.492 1.00 23.51 C ATOM 814 O LYS A 52 -10.701 -6.158 -0.674 1.00 54.15 O ATOM 815 CB LYS A 52 -9.642 -4.411 1.853 1.00 51.33 C ATOM 816 CG LYS A 52 -10.732 -3.366 2.084 1.00 41.43 C ATOM 817 CD LYS A 52 -10.893 -3.038 3.567 1.00 50.13 C ATOM 818 CE LYS A 52 -11.233 -4.267 4.407 1.00 13.23 C ATOM 819 NZ LYS A 52 -12.594 -4.792 4.118 1.00 34.30 N ATOM 0 H LYS A 52 -8.628 -2.570 0.503 1.00 23.53 H new ATOM 0 HA LYS A 52 -8.498 -5.401 0.337 1.00 15.11 H new ATOM 0 HB2 LYS A 52 -9.991 -5.371 2.234 1.00 51.33 H new ATOM 0 HB3 LYS A 52 -8.764 -4.136 2.438 1.00 51.33 H new ATOM 0 HG2 LYS A 52 -10.487 -2.457 1.534 1.00 41.43 H new ATOM 0 HG3 LYS A 52 -11.679 -3.733 1.687 1.00 41.43 H new ATOM 0 HD2 LYS A 52 -9.970 -2.592 3.939 1.00 50.13 H new ATOM 0 HD3 LYS A 52 -11.678 -2.292 3.687 1.00 50.13 H new ATOM 0 HE2 LYS A 52 -10.497 -5.048 4.217 1.00 13.23 H new ATOM 0 HE3 LYS A 52 -11.162 -4.012 5.464 1.00 13.23 H new ATOM 0 HZ1 LYS A 52 -13.009 -5.180 4.989 1.00 34.30 H new ATOM 0 HZ2 LYS A 52 -13.195 -4.022 3.761 1.00 34.30 H new ATOM 0 HZ3 LYS A 52 -12.532 -5.543 3.401 1.00 34.30 H new ATOM 833 N ASP A 53 -11.112 -3.977 -1.051 1.00 15.13 N ATOM 834 CA ASP A 53 -12.220 -4.223 -1.985 1.00 74.15 C ATOM 835 C ASP A 53 -11.769 -5.121 -3.152 1.00 34.03 C ATOM 836 O ASP A 53 -12.488 -6.034 -3.568 1.00 73.12 O ATOM 837 CB ASP A 53 -12.762 -2.889 -2.513 1.00 71.01 C ATOM 838 CG ASP A 53 -13.872 -3.066 -3.534 1.00 61.22 C ATOM 839 OD1 ASP A 53 -14.982 -3.484 -3.151 1.00 14.13 O ATOM 840 OD2 ASP A 53 -13.646 -2.781 -4.727 1.00 73.23 O ATOM 0 H ASP A 53 -10.924 -2.990 -0.874 1.00 15.13 H new ATOM 0 HA ASP A 53 -13.015 -4.743 -1.450 1.00 74.15 H new ATOM 0 HB2 ASP A 53 -13.135 -2.297 -1.677 1.00 71.01 H new ATOM 0 HB3 ASP A 53 -11.946 -2.324 -2.964 1.00 71.01 H new ATOM 845 N GLU A 54 -10.572 -4.853 -3.672 1.00 4.33 N ATOM 846 CA GLU A 54 -9.974 -5.689 -4.719 1.00 3.22 C ATOM 847 C GLU A 54 -9.587 -7.076 -4.184 1.00 3.51 C ATOM 848 O GLU A 54 -9.990 -8.100 -4.735 1.00 34.54 O ATOM 849 CB GLU A 54 -8.732 -5.001 -5.309 1.00 32.22 C ATOM 850 CG GLU A 54 -9.046 -3.856 -6.262 1.00 25.41 C ATOM 851 CD GLU A 54 -9.740 -4.331 -7.529 1.00 0.43 C ATOM 852 OE1 GLU A 54 -9.050 -4.852 -8.433 1.00 2.22 O ATOM 853 OE2 GLU A 54 -10.978 -4.193 -7.627 1.00 65.42 O ATOM 0 H GLU A 54 -9.994 -4.062 -3.386 1.00 4.33 H new ATOM 0 HA GLU A 54 -10.724 -5.821 -5.499 1.00 3.22 H new ATOM 0 HB2 GLU A 54 -8.119 -4.621 -4.492 1.00 32.22 H new ATOM 0 HB3 GLU A 54 -8.135 -5.745 -5.837 1.00 32.22 H new ATOM 0 HG2 GLU A 54 -9.679 -3.128 -5.755 1.00 25.41 H new ATOM 0 HG3 GLU A 54 -8.121 -3.344 -6.528 1.00 25.41 H new ATOM 860 N LEU A 55 -8.814 -7.101 -3.098 1.00 41.21 N ATOM 861 CA LEU A 55 -8.296 -8.358 -2.537 1.00 34.21 C ATOM 862 C LEU A 55 -9.420 -9.316 -2.098 1.00 13.42 C ATOM 863 O LEU A 55 -9.285 -10.534 -2.220 1.00 22.35 O ATOM 864 CB LEU A 55 -7.357 -8.064 -1.361 1.00 21.51 C ATOM 865 CG LEU A 55 -6.084 -7.273 -1.720 1.00 64.51 C ATOM 866 CD1 LEU A 55 -5.239 -7.013 -0.476 1.00 4.44 C ATOM 867 CD2 LEU A 55 -5.265 -8.009 -2.784 1.00 64.33 C ATOM 0 H LEU A 55 -8.530 -6.266 -2.586 1.00 41.21 H new ATOM 0 HA LEU A 55 -7.741 -8.860 -3.330 1.00 34.21 H new ATOM 0 HB2 LEU A 55 -7.911 -7.507 -0.605 1.00 21.51 H new ATOM 0 HB3 LEU A 55 -7.062 -9.010 -0.907 1.00 21.51 H new ATOM 0 HG LEU A 55 -6.390 -6.312 -2.132 1.00 64.51 H new ATOM 0 HD11 LEU A 55 -4.346 -6.453 -0.753 1.00 4.44 H new ATOM 0 HD12 LEU A 55 -5.819 -6.436 0.244 1.00 4.44 H new ATOM 0 HD13 LEU A 55 -4.947 -7.963 -0.029 1.00 4.44 H new ATOM 0 HD21 LEU A 55 -4.372 -7.431 -3.020 1.00 64.33 H new ATOM 0 HD22 LEU A 55 -4.973 -8.989 -2.405 1.00 64.33 H new ATOM 0 HD23 LEU A 55 -5.866 -8.132 -3.685 1.00 64.33 H new ATOM 879 N GLU A 56 -10.523 -8.769 -1.590 1.00 23.31 N ATOM 880 CA GLU A 56 -11.664 -9.591 -1.159 1.00 61.24 C ATOM 881 C GLU A 56 -12.456 -10.126 -2.362 1.00 62.42 C ATOM 882 O GLU A 56 -13.025 -11.219 -2.309 1.00 22.22 O ATOM 883 CB GLU A 56 -12.582 -8.799 -0.212 1.00 50.22 C ATOM 884 CG GLU A 56 -11.893 -8.372 1.083 1.00 0.10 C ATOM 885 CD GLU A 56 -12.860 -7.828 2.125 1.00 44.30 C ATOM 886 OE1 GLU A 56 -13.374 -8.630 2.939 1.00 71.44 O ATOM 887 OE2 GLU A 56 -13.102 -6.602 2.146 1.00 5.13 O ATOM 0 H GLU A 56 -10.656 -7.765 -1.465 1.00 23.31 H new ATOM 0 HA GLU A 56 -11.267 -10.448 -0.615 1.00 61.24 H new ATOM 0 HB2 GLU A 56 -12.948 -7.912 -0.730 1.00 50.22 H new ATOM 0 HB3 GLU A 56 -13.453 -9.408 0.032 1.00 50.22 H new ATOM 0 HG2 GLU A 56 -11.360 -9.225 1.502 1.00 0.10 H new ATOM 0 HG3 GLU A 56 -11.147 -7.610 0.856 1.00 0.10 H new ATOM 894 N ALA A 57 -12.483 -9.358 -3.449 1.00 12.11 N ATOM 895 CA ALA A 57 -13.109 -9.811 -4.696 1.00 22.02 C ATOM 896 C ALA A 57 -12.258 -10.899 -5.371 1.00 52.02 C ATOM 897 O ALA A 57 -12.781 -11.825 -5.999 1.00 2.25 O ATOM 898 CB ALA A 57 -13.324 -8.634 -5.638 1.00 54.41 C ATOM 0 H ALA A 57 -12.081 -8.422 -3.495 1.00 12.11 H new ATOM 0 HA ALA A 57 -14.080 -10.244 -4.456 1.00 22.02 H new ATOM 0 HB1 ALA A 57 -13.789 -8.985 -6.559 1.00 54.41 H new ATOM 0 HB2 ALA A 57 -13.973 -7.900 -5.161 1.00 54.41 H new ATOM 0 HB3 ALA A 57 -12.364 -8.173 -5.869 1.00 54.41 H new ATOM 904 N LYS A 58 -10.940 -10.773 -5.238 1.00 54.44 N ATOM 905 CA LYS A 58 -10.007 -11.779 -5.742 1.00 34.11 C ATOM 906 C LYS A 58 -9.814 -12.887 -4.688 1.00 12.54 C ATOM 907 O LYS A 58 -8.893 -12.840 -3.868 1.00 32.20 O ATOM 908 CB LYS A 58 -8.663 -11.119 -6.093 1.00 43.43 C ATOM 909 CG LYS A 58 -8.787 -9.877 -6.979 1.00 44.41 C ATOM 910 CD LYS A 58 -7.436 -9.186 -7.171 1.00 51.23 C ATOM 911 CE LYS A 58 -7.574 -7.804 -7.808 1.00 52.04 C ATOM 912 NZ LYS A 58 -8.176 -7.860 -9.166 1.00 12.22 N ATOM 0 H LYS A 58 -10.491 -9.979 -4.782 1.00 54.44 H new ATOM 0 HA LYS A 58 -10.415 -12.230 -6.647 1.00 34.11 H new ATOM 0 HB2 LYS A 58 -8.154 -10.843 -5.169 1.00 43.43 H new ATOM 0 HB3 LYS A 58 -8.033 -11.851 -6.598 1.00 43.43 H new ATOM 0 HG2 LYS A 58 -9.192 -10.161 -7.950 1.00 44.41 H new ATOM 0 HG3 LYS A 58 -9.493 -9.178 -6.531 1.00 44.41 H new ATOM 0 HD2 LYS A 58 -6.940 -9.090 -6.205 1.00 51.23 H new ATOM 0 HD3 LYS A 58 -6.798 -9.810 -7.797 1.00 51.23 H new ATOM 0 HE2 LYS A 58 -8.189 -7.172 -7.167 1.00 52.04 H new ATOM 0 HE3 LYS A 58 -6.592 -7.336 -7.869 1.00 52.04 H new ATOM 0 HZ1 LYS A 58 -8.232 -6.899 -9.561 1.00 12.22 H new ATOM 0 HZ2 LYS A 58 -7.586 -8.454 -9.783 1.00 12.22 H new ATOM 0 HZ3 LYS A 58 -9.132 -8.266 -9.106 1.00 12.22 H new ATOM 926 N HIS A 59 -10.694 -13.885 -4.718 1.00 62.05 N ATOM 927 CA HIS A 59 -10.780 -14.885 -3.642 1.00 14.11 C ATOM 928 C HIS A 59 -9.594 -15.865 -3.616 1.00 42.35 C ATOM 929 O HIS A 59 -9.511 -16.714 -2.728 1.00 35.02 O ATOM 930 CB HIS A 59 -12.100 -15.651 -3.752 1.00 22.44 C ATOM 931 CG HIS A 59 -13.300 -14.794 -3.495 1.00 3.03 C ATOM 932 ND1 HIS A 59 -14.078 -14.257 -4.496 1.00 23.12 N ATOM 933 CD2 HIS A 59 -13.855 -14.377 -2.333 1.00 63.42 C ATOM 934 CE1 HIS A 59 -15.054 -13.552 -3.965 1.00 3.41 C ATOM 935 NE2 HIS A 59 -14.944 -13.607 -2.654 1.00 64.25 N ATOM 0 H HIS A 59 -11.362 -14.028 -5.476 1.00 62.05 H new ATOM 0 HA HIS A 59 -10.740 -14.337 -2.701 1.00 14.11 H new ATOM 0 HB2 HIS A 59 -12.179 -16.086 -4.748 1.00 22.44 H new ATOM 0 HB3 HIS A 59 -12.093 -16.478 -3.042 1.00 22.44 H new ATOM 0 HD2 HIS A 59 -13.505 -14.608 -1.338 1.00 63.42 H new ATOM 0 HE1 HIS A 59 -15.817 -13.018 -4.512 1.00 3.41 H new ATOM 0 HE2 HIS A 59 -15.567 -13.152 -1.987 1.00 64.25 H new ATOM 944 N TRP A 60 -8.684 -15.755 -4.577 1.00 10.43 N ATOM 945 CA TRP A 60 -7.465 -16.578 -4.570 1.00 31.11 C ATOM 946 C TRP A 60 -6.359 -15.936 -3.703 1.00 13.34 C ATOM 947 O TRP A 60 -5.268 -16.490 -3.546 1.00 51.40 O ATOM 948 CB TRP A 60 -6.971 -16.835 -6.004 1.00 31.33 C ATOM 949 CG TRP A 60 -6.629 -15.596 -6.778 1.00 13.54 C ATOM 950 CD1 TRP A 60 -7.503 -14.715 -7.352 1.00 62.42 C ATOM 951 CD2 TRP A 60 -5.316 -15.117 -7.084 1.00 3.34 C ATOM 952 NE1 TRP A 60 -6.811 -13.713 -7.985 1.00 54.15 N ATOM 953 CE2 TRP A 60 -5.468 -13.938 -7.837 1.00 72.31 C ATOM 954 CE3 TRP A 60 -4.025 -15.568 -6.790 1.00 42.24 C ATOM 955 CZ2 TRP A 60 -4.378 -13.206 -8.300 1.00 14.00 C ATOM 956 CZ3 TRP A 60 -2.945 -14.840 -7.251 1.00 62.53 C ATOM 957 CH2 TRP A 60 -3.128 -13.672 -7.998 1.00 73.33 C ATOM 0 H TRP A 60 -8.759 -15.113 -5.366 1.00 10.43 H new ATOM 0 HA TRP A 60 -7.713 -17.540 -4.122 1.00 31.11 H new ATOM 0 HB2 TRP A 60 -6.090 -17.476 -5.962 1.00 31.33 H new ATOM 0 HB3 TRP A 60 -7.740 -17.386 -6.546 1.00 31.33 H new ATOM 0 HD1 TRP A 60 -8.579 -14.796 -7.313 1.00 62.42 H new ATOM 0 HE1 TRP A 60 -7.229 -12.928 -8.485 1.00 54.15 H new ATOM 0 HE3 TRP A 60 -3.875 -16.469 -6.213 1.00 42.24 H new ATOM 0 HZ2 TRP A 60 -4.514 -12.303 -8.877 1.00 14.00 H new ATOM 0 HZ3 TRP A 60 -1.943 -15.178 -7.031 1.00 62.53 H new ATOM 0 HH2 TRP A 60 -2.263 -13.126 -8.344 1.00 73.33 H new ATOM 968 N ILE A 61 -6.656 -14.757 -3.147 1.00 51.50 N ATOM 969 CA ILE A 61 -5.789 -14.112 -2.151 1.00 14.54 C ATOM 970 C ILE A 61 -6.082 -14.679 -0.752 1.00 32.35 C ATOM 971 O ILE A 61 -7.198 -14.544 -0.244 1.00 22.35 O ATOM 972 CB ILE A 61 -5.988 -12.562 -2.122 1.00 42.33 C ATOM 973 CG1 ILE A 61 -5.344 -11.880 -3.345 1.00 44.42 C ATOM 974 CG2 ILE A 61 -5.417 -11.960 -0.833 1.00 5.54 C ATOM 975 CD1 ILE A 61 -5.816 -12.394 -4.686 1.00 55.21 C ATOM 0 H ILE A 61 -7.497 -14.225 -3.371 1.00 51.50 H new ATOM 0 HA ILE A 61 -4.758 -14.321 -2.436 1.00 14.54 H new ATOM 0 HB ILE A 61 -7.062 -12.379 -2.156 1.00 42.33 H new ATOM 0 HG12 ILE A 61 -5.544 -10.810 -3.292 1.00 44.42 H new ATOM 0 HG13 ILE A 61 -4.263 -12.006 -3.285 1.00 44.42 H new ATOM 0 HG21 ILE A 61 -5.568 -10.881 -0.838 1.00 5.54 H new ATOM 0 HG22 ILE A 61 -5.926 -12.394 0.028 1.00 5.54 H new ATOM 0 HG23 ILE A 61 -4.351 -12.177 -0.771 1.00 5.54 H new ATOM 0 HD11 ILE A 61 -5.306 -11.853 -5.483 1.00 55.21 H new ATOM 0 HD12 ILE A 61 -5.591 -13.457 -4.768 1.00 55.21 H new ATOM 0 HD13 ILE A 61 -6.892 -12.243 -4.775 1.00 55.21 H new ATOM 987 N ALA A 62 -5.086 -15.319 -0.142 1.00 23.42 N ATOM 988 CA ALA A 62 -5.231 -15.882 1.207 1.00 33.50 C ATOM 989 C ALA A 62 -5.464 -14.779 2.254 1.00 0.14 C ATOM 990 O ALA A 62 -4.814 -13.730 2.216 1.00 55.45 O ATOM 991 CB ALA A 62 -4.000 -16.707 1.570 1.00 11.23 C ATOM 0 H ALA A 62 -4.166 -15.463 -0.559 1.00 23.42 H new ATOM 0 HA ALA A 62 -6.106 -16.531 1.207 1.00 33.50 H new ATOM 0 HB1 ALA A 62 -4.120 -17.119 2.572 1.00 11.23 H new ATOM 0 HB2 ALA A 62 -3.884 -17.521 0.855 1.00 11.23 H new ATOM 0 HB3 ALA A 62 -3.115 -16.071 1.543 1.00 11.23 H new ATOM 997 N GLU A 63 -6.386 -15.020 3.186 1.00 3.12 N ATOM 998 CA GLU A 63 -6.727 -14.023 4.208 1.00 10.40 C ATOM 999 C GLU A 63 -5.500 -13.600 5.032 1.00 11.23 C ATOM 1000 O GLU A 63 -5.292 -12.414 5.282 1.00 34.21 O ATOM 1001 CB GLU A 63 -7.829 -14.549 5.135 1.00 24.40 C ATOM 1002 CG GLU A 63 -8.247 -13.545 6.205 1.00 31.02 C ATOM 1003 CD GLU A 63 -9.402 -14.035 7.060 1.00 61.12 C ATOM 1004 OE1 GLU A 63 -9.161 -14.805 8.015 1.00 21.01 O ATOM 1005 OE2 GLU A 63 -10.558 -13.644 6.789 1.00 11.30 O ATOM 0 H GLU A 63 -6.910 -15.892 3.257 1.00 3.12 H new ATOM 0 HA GLU A 63 -7.095 -13.141 3.683 1.00 10.40 H new ATOM 0 HB2 GLU A 63 -8.700 -14.816 4.537 1.00 24.40 H new ATOM 0 HB3 GLU A 63 -7.482 -15.462 5.619 1.00 24.40 H new ATOM 0 HG2 GLU A 63 -7.393 -13.330 6.847 1.00 31.02 H new ATOM 0 HG3 GLU A 63 -8.529 -12.608 5.725 1.00 31.02 H new ATOM 1012 N ALA A 64 -4.686 -14.566 5.444 1.00 1.23 N ATOM 1013 CA ALA A 64 -3.462 -14.270 6.195 1.00 12.32 C ATOM 1014 C ALA A 64 -2.566 -13.276 5.437 1.00 31.24 C ATOM 1015 O ALA A 64 -1.948 -12.391 6.035 1.00 43.23 O ATOM 1016 CB ALA A 64 -2.700 -15.556 6.486 1.00 24.50 C ATOM 0 H ALA A 64 -4.847 -15.559 5.274 1.00 1.23 H new ATOM 0 HA ALA A 64 -3.750 -13.806 7.139 1.00 12.32 H new ATOM 0 HB1 ALA A 64 -1.793 -15.323 7.044 1.00 24.50 H new ATOM 0 HB2 ALA A 64 -3.327 -16.225 7.075 1.00 24.50 H new ATOM 0 HB3 ALA A 64 -2.434 -16.042 5.547 1.00 24.50 H new ATOM 1022 N ASP A 65 -2.526 -13.414 4.112 1.00 54.31 N ATOM 1023 CA ASP A 65 -1.715 -12.537 3.267 1.00 42.40 C ATOM 1024 C ASP A 65 -2.361 -11.143 3.150 1.00 61.53 C ATOM 1025 O ASP A 65 -1.683 -10.121 3.298 1.00 44.41 O ATOM 1026 CB ASP A 65 -1.532 -13.167 1.879 1.00 55.34 C ATOM 1027 CG ASP A 65 -0.313 -12.620 1.149 1.00 43.12 C ATOM 1028 OD1 ASP A 65 -0.329 -11.439 0.750 1.00 51.32 O ATOM 1029 OD2 ASP A 65 0.675 -13.368 0.992 1.00 44.23 O ATOM 0 H ASP A 65 -3.047 -14.126 3.600 1.00 54.31 H new ATOM 0 HA ASP A 65 -0.735 -12.416 3.729 1.00 42.40 H new ATOM 0 HB2 ASP A 65 -1.435 -14.248 1.984 1.00 55.34 H new ATOM 0 HB3 ASP A 65 -2.424 -12.984 1.279 1.00 55.34 H new ATOM 1034 N ARG A 66 -3.681 -11.104 2.904 1.00 70.13 N ATOM 1035 CA ARG A 66 -4.397 -9.825 2.800 1.00 22.13 C ATOM 1036 C ARG A 66 -4.232 -9.017 4.096 1.00 61.25 C ATOM 1037 O ARG A 66 -4.035 -7.807 4.065 1.00 52.33 O ATOM 1038 CB ARG A 66 -5.899 -10.029 2.487 1.00 54.42 C ATOM 1039 CG ARG A 66 -6.775 -10.325 3.708 1.00 72.43 C ATOM 1040 CD ARG A 66 -8.258 -10.386 3.358 1.00 23.32 C ATOM 1041 NE ARG A 66 -9.103 -10.495 4.551 1.00 71.44 N ATOM 1042 CZ ARG A 66 -10.405 -10.355 4.548 1.00 21.43 C ATOM 1043 NH1 ARG A 66 -11.045 -10.165 3.441 1.00 23.15 N ATOM 1044 NH2 ARG A 66 -11.066 -10.427 5.655 1.00 73.21 N ATOM 0 H ARG A 66 -4.265 -11.930 2.775 1.00 70.13 H new ATOM 0 HA ARG A 66 -3.959 -9.270 1.970 1.00 22.13 H new ATOM 0 HB2 ARG A 66 -6.278 -9.134 1.994 1.00 54.42 H new ATOM 0 HB3 ARG A 66 -6.000 -10.850 1.777 1.00 54.42 H new ATOM 0 HG2 ARG A 66 -6.469 -11.273 4.150 1.00 72.43 H new ATOM 0 HG3 ARG A 66 -6.614 -9.555 4.463 1.00 72.43 H new ATOM 0 HD2 ARG A 66 -8.535 -9.492 2.799 1.00 23.32 H new ATOM 0 HD3 ARG A 66 -8.441 -11.240 2.706 1.00 23.32 H new ATOM 0 HE ARG A 66 -8.647 -10.693 5.442 1.00 71.44 H new ATOM 0 HH11 ARG A 66 -10.536 -10.123 2.558 1.00 23.15 H new ATOM 0 HH12 ARG A 66 -12.059 -10.057 3.450 1.00 23.15 H new ATOM 0 HH21 ARG A 66 -10.574 -10.593 6.533 1.00 73.21 H new ATOM 0 HH22 ARG A 66 -12.080 -10.318 5.651 1.00 73.21 H new ATOM 1058 N ILE A 67 -4.298 -9.707 5.237 1.00 5.11 N ATOM 1059 CA ILE A 67 -4.103 -9.069 6.540 1.00 3.32 C ATOM 1060 C ILE A 67 -2.720 -8.404 6.619 1.00 22.42 C ATOM 1061 O ILE A 67 -2.604 -7.236 6.996 1.00 62.42 O ATOM 1062 CB ILE A 67 -4.275 -10.091 7.701 1.00 12.35 C ATOM 1063 CG1 ILE A 67 -5.733 -10.578 7.774 1.00 2.31 C ATOM 1064 CG2 ILE A 67 -3.836 -9.493 9.040 1.00 54.05 C ATOM 1065 CD1 ILE A 67 -6.741 -9.476 8.030 1.00 1.40 C ATOM 0 H ILE A 67 -4.485 -10.709 5.284 1.00 5.11 H new ATOM 0 HA ILE A 67 -4.868 -8.300 6.648 1.00 3.32 H new ATOM 0 HB ILE A 67 -3.631 -10.946 7.495 1.00 12.35 H new ATOM 0 HG12 ILE A 67 -5.986 -11.077 6.838 1.00 2.31 H new ATOM 0 HG13 ILE A 67 -5.817 -11.323 8.565 1.00 2.31 H new ATOM 0 HG21 ILE A 67 -3.969 -10.232 9.830 1.00 54.05 H new ATOM 0 HG22 ILE A 67 -2.786 -9.207 8.984 1.00 54.05 H new ATOM 0 HG23 ILE A 67 -4.440 -8.613 9.261 1.00 54.05 H new ATOM 0 HD11 ILE A 67 -7.744 -9.902 8.067 1.00 1.40 H new ATOM 0 HD12 ILE A 67 -6.517 -8.992 8.980 1.00 1.40 H new ATOM 0 HD13 ILE A 67 -6.688 -8.741 7.227 1.00 1.40 H new ATOM 1077 N ASN A 68 -1.680 -9.146 6.236 1.00 43.32 N ATOM 1078 CA ASN A 68 -0.310 -8.618 6.212 1.00 35.15 C ATOM 1079 C ASN A 68 -0.222 -7.310 5.404 1.00 12.02 C ATOM 1080 O ASN A 68 0.154 -6.261 5.936 1.00 74.44 O ATOM 1081 CB ASN A 68 0.641 -9.655 5.604 1.00 64.13 C ATOM 1082 CG ASN A 68 2.074 -9.157 5.530 1.00 2.44 C ATOM 1083 OD1 ASN A 68 2.548 -8.452 6.416 1.00 34.42 O ATOM 1084 ND2 ASN A 68 2.765 -9.492 4.462 1.00 13.41 N ATOM 0 H ASN A 68 -1.758 -10.118 5.937 1.00 43.32 H new ATOM 0 HA ASN A 68 -0.020 -8.406 7.241 1.00 35.15 H new ATOM 0 HB2 ASN A 68 0.607 -10.567 6.199 1.00 64.13 H new ATOM 0 HB3 ASN A 68 0.298 -9.915 4.603 1.00 64.13 H new ATOM 0 HD21 ASN A 68 3.725 -9.164 4.352 1.00 13.41 H new ATOM 0 HD22 ASN A 68 2.341 -10.080 3.744 1.00 13.41 H new ATOM 1091 N VAL A 69 -0.586 -7.380 4.122 1.00 13.13 N ATOM 1092 CA VAL A 69 -0.485 -6.219 3.230 1.00 13.03 C ATOM 1093 C VAL A 69 -1.419 -5.066 3.652 1.00 65.02 C ATOM 1094 O VAL A 69 -1.090 -3.895 3.450 1.00 20.51 O ATOM 1095 CB VAL A 69 -0.751 -6.597 1.749 1.00 1.54 C ATOM 1096 CG1 VAL A 69 0.319 -7.563 1.234 1.00 72.22 C ATOM 1097 CG2 VAL A 69 -2.148 -7.188 1.576 1.00 30.00 C ATOM 0 H VAL A 69 -0.952 -8.223 3.678 1.00 13.13 H new ATOM 0 HA VAL A 69 0.544 -5.870 3.319 1.00 13.03 H new ATOM 0 HB VAL A 69 -0.698 -5.685 1.154 1.00 1.54 H new ATOM 0 HG11 VAL A 69 0.112 -7.814 0.194 1.00 72.22 H new ATOM 0 HG12 VAL A 69 1.299 -7.092 1.305 1.00 72.22 H new ATOM 0 HG13 VAL A 69 0.309 -8.472 1.836 1.00 72.22 H new ATOM 0 HG21 VAL A 69 -2.308 -7.444 0.529 1.00 30.00 H new ATOM 0 HG22 VAL A 69 -2.242 -8.086 2.187 1.00 30.00 H new ATOM 0 HG23 VAL A 69 -2.894 -6.457 1.889 1.00 30.00 H new ATOM 1107 N LEU A 70 -2.569 -5.391 4.246 1.00 44.42 N ATOM 1108 CA LEU A 70 -3.500 -4.363 4.733 1.00 2.14 C ATOM 1109 C LEU A 70 -2.919 -3.594 5.929 1.00 33.43 C ATOM 1110 O LEU A 70 -2.947 -2.363 5.944 1.00 71.44 O ATOM 1111 CB LEU A 70 -4.862 -4.971 5.109 1.00 33.25 C ATOM 1112 CG LEU A 70 -5.751 -5.386 3.921 1.00 3.31 C ATOM 1113 CD1 LEU A 70 -7.056 -6.013 4.413 1.00 11.32 C ATOM 1114 CD2 LEU A 70 -6.032 -4.187 3.016 1.00 50.31 C ATOM 0 H LEU A 70 -2.879 -6.350 4.402 1.00 44.42 H new ATOM 0 HA LEU A 70 -3.649 -3.660 3.914 1.00 2.14 H new ATOM 0 HB2 LEU A 70 -4.690 -5.846 5.735 1.00 33.25 H new ATOM 0 HB3 LEU A 70 -5.409 -4.248 5.715 1.00 33.25 H new ATOM 0 HG LEU A 70 -5.215 -6.135 3.338 1.00 3.31 H new ATOM 0 HD11 LEU A 70 -7.668 -6.298 3.557 1.00 11.32 H new ATOM 0 HD12 LEU A 70 -6.832 -6.897 5.010 1.00 11.32 H new ATOM 0 HD13 LEU A 70 -7.599 -5.291 5.023 1.00 11.32 H new ATOM 0 HD21 LEU A 70 -6.661 -4.500 2.183 1.00 50.31 H new ATOM 0 HD22 LEU A 70 -6.544 -3.412 3.587 1.00 50.31 H new ATOM 0 HD23 LEU A 70 -5.091 -3.792 2.632 1.00 50.31 H new ATOM 1126 N ASN A 71 -2.391 -4.311 6.928 1.00 14.23 N ATOM 1127 CA ASN A 71 -1.796 -3.657 8.104 1.00 3.20 C ATOM 1128 C ASN A 71 -0.631 -2.741 7.707 1.00 34.43 C ATOM 1129 O ASN A 71 -0.612 -1.564 8.070 1.00 21.11 O ATOM 1130 CB ASN A 71 -1.316 -4.679 9.146 1.00 53.34 C ATOM 1131 CG ASN A 71 -2.457 -5.288 9.943 1.00 64.13 C ATOM 1132 OD1 ASN A 71 -2.924 -4.714 10.921 1.00 71.41 O ATOM 1133 ND2 ASN A 71 -2.888 -6.468 9.562 1.00 13.03 N ATOM 0 H ASN A 71 -2.362 -5.330 6.949 1.00 14.23 H new ATOM 0 HA ASN A 71 -2.584 -3.052 8.552 1.00 3.20 H new ATOM 0 HB2 ASN A 71 -0.766 -5.474 8.642 1.00 53.34 H new ATOM 0 HB3 ASN A 71 -0.620 -4.194 9.830 1.00 53.34 H new ATOM 0 HD21 ASN A 71 -3.631 -6.932 10.084 1.00 13.03 H new ATOM 0 HD22 ASN A 71 -2.480 -6.920 8.744 1.00 13.03 H new ATOM 1140 N GLN A 72 0.333 -3.275 6.951 1.00 1.43 N ATOM 1141 CA GLN A 72 1.493 -2.479 6.526 1.00 12.22 C ATOM 1142 C GLN A 72 1.062 -1.285 5.653 1.00 75.12 C ATOM 1143 O GLN A 72 1.631 -0.197 5.753 1.00 4.25 O ATOM 1144 CB GLN A 72 2.527 -3.355 5.795 1.00 2.21 C ATOM 1145 CG GLN A 72 2.011 -4.007 4.518 1.00 62.10 C ATOM 1146 CD GLN A 72 3.024 -4.936 3.860 1.00 23.33 C ATOM 1147 OE1 GLN A 72 3.048 -5.085 2.646 1.00 61.21 O ATOM 1148 NE2 GLN A 72 3.855 -5.583 4.655 1.00 71.41 N ATOM 0 H GLN A 72 0.336 -4.241 6.623 1.00 1.43 H new ATOM 0 HA GLN A 72 1.967 -2.079 7.422 1.00 12.22 H new ATOM 0 HB2 GLN A 72 3.395 -2.743 5.551 1.00 2.21 H new ATOM 0 HB3 GLN A 72 2.869 -4.136 6.475 1.00 2.21 H new ATOM 0 HG2 GLN A 72 1.107 -4.571 4.747 1.00 62.10 H new ATOM 0 HG3 GLN A 72 1.730 -3.228 3.809 1.00 62.10 H new ATOM 0 HE21 GLN A 72 3.812 -5.439 5.664 1.00 71.41 H new ATOM 0 HE22 GLN A 72 4.540 -6.227 4.261 1.00 71.41 H new ATOM 1157 N ALA A 73 0.042 -1.483 4.813 1.00 21.20 N ATOM 1158 CA ALA A 73 -0.526 -0.386 4.018 1.00 61.34 C ATOM 1159 C ALA A 73 -1.084 0.718 4.925 1.00 43.01 C ATOM 1160 O ALA A 73 -0.811 1.903 4.719 1.00 10.13 O ATOM 1161 CB ALA A 73 -1.615 -0.906 3.083 1.00 63.54 C ATOM 0 H ALA A 73 -0.407 -2.387 4.665 1.00 21.20 H new ATOM 0 HA ALA A 73 0.275 0.041 3.415 1.00 61.34 H new ATOM 0 HB1 ALA A 73 -2.023 -0.078 2.503 1.00 63.54 H new ATOM 0 HB2 ALA A 73 -1.190 -1.648 2.407 1.00 63.54 H new ATOM 0 HB3 ALA A 73 -2.411 -1.364 3.670 1.00 63.54 H new ATOM 1167 N THR A 74 -1.855 0.319 5.938 1.00 40.23 N ATOM 1168 CA THR A 74 -2.397 1.262 6.926 1.00 34.34 C ATOM 1169 C THR A 74 -1.272 2.059 7.596 1.00 14.25 C ATOM 1170 O THR A 74 -1.361 3.278 7.749 1.00 50.32 O ATOM 1171 CB THR A 74 -3.210 0.537 8.035 1.00 33.24 C ATOM 1172 OG1 THR A 74 -4.223 -0.298 7.455 1.00 44.15 O ATOM 1173 CG2 THR A 74 -3.865 1.538 8.983 1.00 34.43 C ATOM 0 H THR A 74 -2.120 -0.653 6.099 1.00 40.23 H new ATOM 0 HA THR A 74 -3.059 1.934 6.380 1.00 34.34 H new ATOM 0 HB THR A 74 -2.512 -0.079 8.601 1.00 33.24 H new ATOM 0 HG1 THR A 74 -4.313 -0.089 6.502 1.00 44.15 H new ATOM 0 HG21 THR A 74 -4.427 1.001 9.748 1.00 34.43 H new ATOM 0 HG22 THR A 74 -3.095 2.147 9.458 1.00 34.43 H new ATOM 0 HG23 THR A 74 -4.541 2.182 8.421 1.00 34.43 H new ATOM 1181 N GLU A 75 -0.204 1.360 7.982 1.00 65.42 N ATOM 1182 CA GLU A 75 0.945 1.990 8.640 1.00 44.00 C ATOM 1183 C GLU A 75 1.628 3.021 7.724 1.00 43.52 C ATOM 1184 O GLU A 75 2.067 4.076 8.186 1.00 1.04 O ATOM 1185 CB GLU A 75 1.950 0.918 9.094 1.00 13.04 C ATOM 1186 CG GLU A 75 1.346 -0.110 10.050 1.00 61.30 C ATOM 1187 CD GLU A 75 2.361 -1.127 10.550 1.00 33.15 C ATOM 1188 OE1 GLU A 75 2.712 -2.058 9.792 1.00 44.33 O ATOM 1189 OE2 GLU A 75 2.806 -1.010 11.710 1.00 52.31 O ATOM 0 H GLU A 75 -0.109 0.353 7.850 1.00 65.42 H new ATOM 0 HA GLU A 75 0.578 2.524 9.516 1.00 44.00 H new ATOM 0 HB2 GLU A 75 2.342 0.402 8.217 1.00 13.04 H new ATOM 0 HB3 GLU A 75 2.795 1.405 9.581 1.00 13.04 H new ATOM 0 HG2 GLU A 75 0.909 0.409 10.903 1.00 61.30 H new ATOM 0 HG3 GLU A 75 0.534 -0.634 9.546 1.00 61.30 H new ATOM 1196 N VAL A 76 1.713 2.721 6.425 1.00 63.21 N ATOM 1197 CA VAL A 76 2.270 3.670 5.450 1.00 32.31 C ATOM 1198 C VAL A 76 1.359 4.903 5.288 1.00 0.30 C ATOM 1199 O VAL A 76 1.833 6.042 5.253 1.00 32.12 O ATOM 1200 CB VAL A 76 2.490 3.009 4.064 1.00 14.50 C ATOM 1201 CG1 VAL A 76 3.014 4.028 3.052 1.00 24.10 C ATOM 1202 CG2 VAL A 76 3.445 1.818 4.172 1.00 72.44 C ATOM 0 H VAL A 76 1.406 1.835 6.023 1.00 63.21 H new ATOM 0 HA VAL A 76 3.237 3.987 5.842 1.00 32.31 H new ATOM 0 HB VAL A 76 1.526 2.642 3.711 1.00 14.50 H new ATOM 0 HG11 VAL A 76 3.160 3.541 2.088 1.00 24.10 H new ATOM 0 HG12 VAL A 76 2.292 4.838 2.944 1.00 24.10 H new ATOM 0 HG13 VAL A 76 3.964 4.433 3.402 1.00 24.10 H new ATOM 0 HG21 VAL A 76 3.583 1.372 3.187 1.00 72.44 H new ATOM 0 HG22 VAL A 76 4.408 2.157 4.555 1.00 72.44 H new ATOM 0 HG23 VAL A 76 3.026 1.076 4.851 1.00 72.44 H new ATOM 1212 N ILE A 77 0.050 4.667 5.193 1.00 71.43 N ATOM 1213 CA ILE A 77 -0.936 5.754 5.109 1.00 53.14 C ATOM 1214 C ILE A 77 -0.840 6.683 6.333 1.00 75.42 C ATOM 1215 O ILE A 77 -0.760 7.910 6.199 1.00 42.42 O ATOM 1216 CB ILE A 77 -2.379 5.193 4.992 1.00 20.14 C ATOM 1217 CG1 ILE A 77 -2.533 4.389 3.685 1.00 73.42 C ATOM 1218 CG2 ILE A 77 -3.411 6.319 5.060 1.00 41.53 C ATOM 1219 CD1 ILE A 77 -3.903 3.765 3.506 1.00 3.44 C ATOM 0 H ILE A 77 -0.356 3.732 5.172 1.00 71.43 H new ATOM 0 HA ILE A 77 -0.709 6.329 4.211 1.00 53.14 H new ATOM 0 HB ILE A 77 -2.558 4.525 5.835 1.00 20.14 H new ATOM 0 HG12 ILE A 77 -2.331 5.046 2.839 1.00 73.42 H new ATOM 0 HG13 ILE A 77 -1.780 3.601 3.664 1.00 73.42 H new ATOM 0 HG21 ILE A 77 -4.413 5.899 4.976 1.00 41.53 H new ATOM 0 HG22 ILE A 77 -3.316 6.843 6.011 1.00 41.53 H new ATOM 0 HG23 ILE A 77 -3.241 7.019 4.242 1.00 41.53 H new ATOM 0 HD11 ILE A 77 -3.933 3.217 2.564 1.00 3.44 H new ATOM 0 HD12 ILE A 77 -4.102 3.081 4.331 1.00 3.44 H new ATOM 0 HD13 ILE A 77 -4.661 4.548 3.494 1.00 3.44 H new ATOM 1231 N ASN A 78 -0.837 6.088 7.526 1.00 15.24 N ATOM 1232 CA ASN A 78 -0.677 6.844 8.772 1.00 73.41 C ATOM 1233 C ASN A 78 0.692 7.540 8.827 1.00 35.30 C ATOM 1234 O ASN A 78 0.811 8.640 9.356 1.00 45.20 O ATOM 1235 CB ASN A 78 -0.841 5.922 9.987 1.00 11.41 C ATOM 1236 CG ASN A 78 -2.216 5.283 10.049 1.00 62.40 C ATOM 1237 OD1 ASN A 78 -3.196 5.838 9.568 1.00 35.23 O ATOM 1238 ND2 ASN A 78 -2.302 4.116 10.651 1.00 13.32 N ATOM 0 H ASN A 78 -0.944 5.082 7.658 1.00 15.24 H new ATOM 0 HA ASN A 78 -1.454 7.608 8.797 1.00 73.41 H new ATOM 0 HB2 ASN A 78 -0.082 5.141 9.951 1.00 11.41 H new ATOM 0 HB3 ASN A 78 -0.668 6.493 10.899 1.00 11.41 H new ATOM 0 HD21 ASN A 78 -3.204 3.647 10.727 1.00 13.32 H new ATOM 0 HD22 ASN A 78 -1.466 3.681 11.041 1.00 13.32 H new ATOM 1245 N PHE A 79 1.714 6.888 8.270 1.00 33.11 N ATOM 1246 CA PHE A 79 3.067 7.456 8.212 1.00 32.01 C ATOM 1247 C PHE A 79 3.080 8.776 7.421 1.00 52.14 C ATOM 1248 O PHE A 79 3.548 9.802 7.914 1.00 45.51 O ATOM 1249 CB PHE A 79 4.027 6.438 7.573 1.00 1.33 C ATOM 1250 CG PHE A 79 5.472 6.873 7.536 1.00 31.32 C ATOM 1251 CD1 PHE A 79 6.229 6.908 8.699 1.00 12.54 C ATOM 1252 CD2 PHE A 79 6.075 7.235 6.338 1.00 14.44 C ATOM 1253 CE1 PHE A 79 7.555 7.297 8.667 1.00 31.42 C ATOM 1254 CE2 PHE A 79 7.401 7.624 6.304 1.00 14.21 C ATOM 1255 CZ PHE A 79 8.141 7.655 7.468 1.00 44.42 C ATOM 0 H PHE A 79 1.632 5.962 7.850 1.00 33.11 H new ATOM 0 HA PHE A 79 3.397 7.674 9.228 1.00 32.01 H new ATOM 0 HB2 PHE A 79 3.958 5.499 8.122 1.00 1.33 H new ATOM 0 HB3 PHE A 79 3.696 6.236 6.554 1.00 1.33 H new ATOM 0 HD1 PHE A 79 5.777 6.628 9.639 1.00 12.54 H new ATOM 0 HD2 PHE A 79 5.501 7.212 5.423 1.00 14.44 H new ATOM 0 HE1 PHE A 79 8.133 7.321 9.579 1.00 31.42 H new ATOM 0 HE2 PHE A 79 7.858 7.904 5.366 1.00 14.21 H new ATOM 0 HZ PHE A 79 9.177 7.959 7.442 1.00 44.42 H new ATOM 1265 N TRP A 80 2.549 8.742 6.197 1.00 53.04 N ATOM 1266 CA TRP A 80 2.434 9.947 5.361 1.00 12.40 C ATOM 1267 C TRP A 80 1.639 11.048 6.085 1.00 61.21 C ATOM 1268 O TRP A 80 2.057 12.208 6.137 1.00 1.54 O ATOM 1269 CB TRP A 80 1.753 9.599 4.027 1.00 54.33 C ATOM 1270 CG TRP A 80 1.539 10.787 3.131 1.00 11.45 C ATOM 1271 CD1 TRP A 80 2.430 11.313 2.239 1.00 53.55 C ATOM 1272 CD2 TRP A 80 0.358 11.596 3.041 1.00 13.30 C ATOM 1273 NE1 TRP A 80 1.877 12.395 1.602 1.00 14.15 N ATOM 1274 CE2 TRP A 80 0.606 12.589 2.078 1.00 14.52 C ATOM 1275 CE3 TRP A 80 -0.886 11.576 3.682 1.00 34.11 C ATOM 1276 CZ2 TRP A 80 -0.341 13.552 1.743 1.00 11.24 C ATOM 1277 CZ3 TRP A 80 -1.824 12.533 3.346 1.00 1.12 C ATOM 1278 CH2 TRP A 80 -1.547 13.510 2.385 1.00 45.24 C ATOM 0 H TRP A 80 2.190 7.894 5.759 1.00 53.04 H new ATOM 0 HA TRP A 80 3.438 10.323 5.166 1.00 12.40 H new ATOM 0 HB2 TRP A 80 2.360 8.862 3.501 1.00 54.33 H new ATOM 0 HB3 TRP A 80 0.790 9.131 4.232 1.00 54.33 H new ATOM 0 HD1 TRP A 80 3.425 10.932 2.061 1.00 53.55 H new ATOM 0 HE1 TRP A 80 2.337 12.963 0.890 1.00 14.15 H new ATOM 0 HE3 TRP A 80 -1.109 10.826 4.426 1.00 34.11 H new ATOM 0 HZ2 TRP A 80 -0.130 14.307 1.000 1.00 11.24 H new ATOM 0 HZ3 TRP A 80 -2.787 12.526 3.834 1.00 1.12 H new ATOM 0 HH2 TRP A 80 -2.300 14.246 2.145 1.00 45.24 H new ATOM 1289 N GLN A 81 0.490 10.669 6.642 1.00 45.52 N ATOM 1290 CA GLN A 81 -0.359 11.598 7.397 1.00 34.34 C ATOM 1291 C GLN A 81 0.409 12.200 8.589 1.00 51.13 C ATOM 1292 O GLN A 81 0.312 13.396 8.876 1.00 41.11 O ATOM 1293 CB GLN A 81 -1.611 10.856 7.884 1.00 23.11 C ATOM 1294 CG GLN A 81 -2.634 11.738 8.594 1.00 41.25 C ATOM 1295 CD GLN A 81 -3.862 10.959 9.040 1.00 72.33 C ATOM 1296 OE1 GLN A 81 -3.786 9.771 9.342 1.00 0.32 O ATOM 1297 NE2 GLN A 81 -5.003 11.615 9.079 1.00 11.14 N ATOM 0 H GLN A 81 0.121 9.720 6.586 1.00 45.52 H new ATOM 0 HA GLN A 81 -0.655 12.419 6.744 1.00 34.34 H new ATOM 0 HB2 GLN A 81 -2.091 10.380 7.029 1.00 23.11 H new ATOM 0 HB3 GLN A 81 -1.305 10.059 8.562 1.00 23.11 H new ATOM 0 HG2 GLN A 81 -2.168 12.204 9.462 1.00 41.25 H new ATOM 0 HG3 GLN A 81 -2.941 12.543 7.927 1.00 41.25 H new ATOM 0 HE21 GLN A 81 -5.033 12.602 8.822 1.00 11.14 H new ATOM 0 HE22 GLN A 81 -5.857 11.137 9.366 1.00 11.14 H new ATOM 1306 N ASP A 82 1.185 11.356 9.261 1.00 63.34 N ATOM 1307 CA ASP A 82 2.024 11.776 10.384 1.00 2.32 C ATOM 1308 C ASP A 82 3.081 12.800 9.937 1.00 45.31 C ATOM 1309 O ASP A 82 3.332 13.799 10.621 1.00 34.12 O ATOM 1310 CB ASP A 82 2.689 10.540 11.001 1.00 14.24 C ATOM 1311 CG ASP A 82 3.602 10.873 12.161 1.00 45.44 C ATOM 1312 OD1 ASP A 82 3.092 11.258 13.230 1.00 21.13 O ATOM 1313 OD2 ASP A 82 4.834 10.749 12.009 1.00 24.51 O ATOM 0 H ASP A 82 1.252 10.361 9.045 1.00 63.34 H new ATOM 0 HA ASP A 82 1.399 12.264 11.132 1.00 2.32 H new ATOM 0 HB2 ASP A 82 1.916 9.851 11.341 1.00 14.24 H new ATOM 0 HB3 ASP A 82 3.262 10.022 10.232 1.00 14.24 H new ATOM 1318 N LEU A 83 3.693 12.551 8.779 1.00 34.42 N ATOM 1319 CA LEU A 83 4.665 13.485 8.197 1.00 0.30 C ATOM 1320 C LEU A 83 4.008 14.842 7.896 1.00 11.53 C ATOM 1321 O LEU A 83 4.602 15.897 8.125 1.00 52.02 O ATOM 1322 CB LEU A 83 5.270 12.906 6.910 1.00 52.34 C ATOM 1323 CG LEU A 83 5.932 11.525 7.048 1.00 41.13 C ATOM 1324 CD1 LEU A 83 6.603 11.115 5.739 1.00 34.04 C ATOM 1325 CD2 LEU A 83 6.930 11.509 8.204 1.00 14.53 C ATOM 0 H LEU A 83 3.535 11.711 8.223 1.00 34.42 H new ATOM 0 HA LEU A 83 5.461 13.634 8.927 1.00 0.30 H new ATOM 0 HB2 LEU A 83 4.483 12.838 6.159 1.00 52.34 H new ATOM 0 HB3 LEU A 83 6.012 13.608 6.531 1.00 52.34 H new ATOM 0 HG LEU A 83 5.153 10.796 7.272 1.00 41.13 H new ATOM 0 HD11 LEU A 83 7.065 10.135 5.858 1.00 34.04 H new ATOM 0 HD12 LEU A 83 5.857 11.070 4.946 1.00 34.04 H new ATOM 0 HD13 LEU A 83 7.367 11.847 5.477 1.00 34.04 H new ATOM 0 HD21 LEU A 83 7.384 10.521 8.279 1.00 14.53 H new ATOM 0 HD22 LEU A 83 7.707 12.252 8.024 1.00 14.53 H new ATOM 0 HD23 LEU A 83 6.413 11.743 9.135 1.00 14.53 H new ATOM 1337 N LYS A 84 2.778 14.795 7.378 1.00 32.53 N ATOM 1338 CA LYS A 84 1.988 16.005 7.106 1.00 22.03 C ATOM 1339 C LYS A 84 1.744 16.831 8.382 1.00 22.23 C ATOM 1340 O LYS A 84 1.721 18.062 8.343 1.00 0.42 O ATOM 1341 CB LYS A 84 0.640 15.616 6.469 1.00 45.24 C ATOM 1342 CG LYS A 84 0.711 15.348 4.965 1.00 1.41 C ATOM 1343 CD LYS A 84 0.825 16.646 4.163 1.00 4.01 C ATOM 1344 CE LYS A 84 -0.409 17.529 4.345 1.00 64.31 C ATOM 1345 NZ LYS A 84 -0.274 18.839 3.656 1.00 41.01 N ATOM 0 H LYS A 84 2.302 13.926 7.136 1.00 32.53 H new ATOM 0 HA LYS A 84 2.559 16.625 6.415 1.00 22.03 H new ATOM 0 HB2 LYS A 84 0.259 14.725 6.968 1.00 45.24 H new ATOM 0 HB3 LYS A 84 -0.079 16.415 6.651 1.00 45.24 H new ATOM 0 HG2 LYS A 84 1.568 14.711 4.749 1.00 1.41 H new ATOM 0 HG3 LYS A 84 -0.179 14.803 4.650 1.00 1.41 H new ATOM 0 HD2 LYS A 84 1.714 17.192 4.478 1.00 4.01 H new ATOM 0 HD3 LYS A 84 0.953 16.412 3.106 1.00 4.01 H new ATOM 0 HE2 LYS A 84 -1.286 17.008 3.960 1.00 64.31 H new ATOM 0 HE3 LYS A 84 -0.579 17.697 5.409 1.00 64.31 H new ATOM 0 HZ1 LYS A 84 -1.062 19.459 3.931 1.00 41.01 H new ATOM 0 HZ2 LYS A 84 0.627 19.283 3.927 1.00 41.01 H new ATOM 0 HZ3 LYS A 84 -0.292 18.693 2.626 1.00 41.01 H new ATOM 1359 N ASN A 85 1.552 16.150 9.506 1.00 34.15 N ATOM 1360 CA ASN A 85 1.309 16.824 10.788 1.00 53.30 C ATOM 1361 C ASN A 85 2.591 17.462 11.351 1.00 71.12 C ATOM 1362 O ASN A 85 2.607 18.641 11.718 1.00 64.14 O ATOM 1363 CB ASN A 85 0.728 15.833 11.803 1.00 32.33 C ATOM 1364 CG ASN A 85 -0.573 15.216 11.329 1.00 4.31 C ATOM 1365 OD1 ASN A 85 -1.322 15.824 10.568 1.00 72.31 O ATOM 1366 ND2 ASN A 85 -0.856 14.010 11.780 1.00 11.22 N ATOM 0 H ASN A 85 1.559 15.132 9.561 1.00 34.15 H new ATOM 0 HA ASN A 85 0.591 17.624 10.608 1.00 53.30 H new ATOM 0 HB2 ASN A 85 1.454 15.042 11.991 1.00 32.33 H new ATOM 0 HB3 ASN A 85 0.560 16.344 12.751 1.00 32.33 H new ATOM 0 HD21 ASN A 85 -1.722 13.550 11.498 1.00 11.22 H new ATOM 0 HD22 ASN A 85 -0.209 13.537 12.411 1.00 11.22 H new ATOM 1373 N GLN A 86 3.667 16.678 11.411 1.00 4.35 N ATOM 1374 CA GLN A 86 4.941 17.148 11.976 1.00 61.00 C ATOM 1375 C GLN A 86 5.783 17.936 10.959 1.00 11.40 C ATOM 1376 O GLN A 86 6.822 18.494 11.313 1.00 13.02 O ATOM 1377 CB GLN A 86 5.751 15.959 12.506 1.00 32.21 C ATOM 1378 CG GLN A 86 5.063 15.201 13.632 1.00 70.35 C ATOM 1379 CD GLN A 86 5.883 14.021 14.123 1.00 63.12 C ATOM 1380 OE1 GLN A 86 6.695 14.144 15.032 1.00 34.40 O ATOM 1381 NE2 GLN A 86 5.685 12.867 13.523 1.00 55.55 N ATOM 0 H GLN A 86 3.687 15.715 11.077 1.00 4.35 H new ATOM 0 HA GLN A 86 4.696 17.828 12.792 1.00 61.00 H new ATOM 0 HB2 GLN A 86 5.948 15.270 11.684 1.00 32.21 H new ATOM 0 HB3 GLN A 86 6.717 16.318 12.860 1.00 32.21 H new ATOM 0 HG2 GLN A 86 4.877 15.881 14.463 1.00 70.35 H new ATOM 0 HG3 GLN A 86 4.092 14.846 13.287 1.00 70.35 H new ATOM 0 HE21 GLN A 86 5.002 12.795 12.769 1.00 55.55 H new ATOM 0 HE22 GLN A 86 6.215 12.044 13.812 1.00 55.55 H new ATOM 1390 N ASN A 87 5.339 17.971 9.701 1.00 21.22 N ATOM 1391 CA ASN A 87 6.059 18.685 8.629 1.00 43.30 C ATOM 1392 C ASN A 87 7.500 18.162 8.462 1.00 42.12 C ATOM 1393 O ASN A 87 8.413 18.915 8.124 1.00 62.45 O ATOM 1394 CB ASN A 87 6.072 20.198 8.904 1.00 20.41 C ATOM 1395 CG ASN A 87 4.684 20.817 8.899 1.00 74.41 C ATOM 1396 OD1 ASN A 87 4.418 21.772 9.619 1.00 73.12 O ATOM 1397 ND2 ASN A 87 3.791 20.303 8.073 1.00 62.44 N ATOM 0 H ASN A 87 4.481 17.513 9.393 1.00 21.22 H new ATOM 0 HA ASN A 87 5.527 18.497 7.697 1.00 43.30 H new ATOM 0 HB2 ASN A 87 6.542 20.382 9.870 1.00 20.41 H new ATOM 0 HB3 ASN A 87 6.687 20.693 8.152 1.00 20.41 H new ATOM 0 HD21 ASN A 87 2.853 20.701 8.023 1.00 62.44 H new ATOM 0 HD22 ASN A 87 4.039 19.508 7.485 1.00 62.44 H new ATOM 1404 N LYS A 88 7.689 16.858 8.676 1.00 2.23 N ATOM 1405 CA LYS A 88 9.016 16.230 8.549 1.00 25.14 C ATOM 1406 C LYS A 88 9.590 16.372 7.128 1.00 50.44 C ATOM 1407 O LYS A 88 10.794 16.556 6.955 1.00 75.30 O ATOM 1408 CB LYS A 88 8.946 14.747 8.945 1.00 33.41 C ATOM 1409 CG LYS A 88 8.762 14.516 10.443 1.00 72.30 C ATOM 1410 CD LYS A 88 8.685 13.029 10.782 1.00 3.11 C ATOM 1411 CE LYS A 88 8.771 12.782 12.284 1.00 73.20 C ATOM 1412 NZ LYS A 88 10.087 13.197 12.839 1.00 11.45 N ATOM 0 H LYS A 88 6.944 16.213 8.938 1.00 2.23 H new ATOM 0 HA LYS A 88 9.688 16.754 9.229 1.00 25.14 H new ATOM 0 HB2 LYS A 88 8.121 14.277 8.410 1.00 33.41 H new ATOM 0 HB3 LYS A 88 9.860 14.250 8.620 1.00 33.41 H new ATOM 0 HG2 LYS A 88 9.591 14.970 10.985 1.00 72.30 H new ATOM 0 HG3 LYS A 88 7.852 15.013 10.778 1.00 72.30 H new ATOM 0 HD2 LYS A 88 7.751 12.618 10.400 1.00 3.11 H new ATOM 0 HD3 LYS A 88 9.495 12.500 10.280 1.00 3.11 H new ATOM 0 HE2 LYS A 88 7.975 13.330 12.788 1.00 73.20 H new ATOM 0 HE3 LYS A 88 8.608 11.724 12.488 1.00 73.20 H new ATOM 0 HZ1 LYS A 88 10.229 12.749 13.767 1.00 11.45 H new ATOM 0 HZ2 LYS A 88 10.846 12.901 12.192 1.00 11.45 H new ATOM 0 HZ3 LYS A 88 10.108 14.231 12.947 1.00 11.45 H new ATOM 1426 N GLN A 89 8.718 16.260 6.120 1.00 11.40 N ATOM 1427 CA GLN A 89 9.105 16.447 4.708 1.00 73.44 C ATOM 1428 C GLN A 89 10.231 15.485 4.265 1.00 41.44 C ATOM 1429 O GLN A 89 10.912 15.736 3.266 1.00 61.30 O ATOM 1430 CB GLN A 89 9.541 17.902 4.471 1.00 44.41 C ATOM 1431 CG GLN A 89 8.485 18.935 4.848 1.00 33.31 C ATOM 1432 CD GLN A 89 8.970 20.363 4.664 1.00 61.41 C ATOM 1433 OE1 GLN A 89 9.551 20.957 5.569 1.00 72.04 O ATOM 1434 NE2 GLN A 89 8.736 20.931 3.500 1.00 53.30 N ATOM 0 H GLN A 89 7.731 16.039 6.253 1.00 11.40 H new ATOM 0 HA GLN A 89 8.227 16.216 4.104 1.00 73.44 H new ATOM 0 HB2 GLN A 89 10.447 18.097 5.045 1.00 44.41 H new ATOM 0 HB3 GLN A 89 9.797 18.027 3.419 1.00 44.41 H new ATOM 0 HG2 GLN A 89 7.594 18.777 4.240 1.00 33.31 H new ATOM 0 HG3 GLN A 89 8.192 18.786 5.887 1.00 33.31 H new ATOM 0 HE21 GLN A 89 8.251 20.412 2.768 1.00 53.30 H new ATOM 0 HE22 GLN A 89 9.039 21.890 3.330 1.00 53.30 H new ATOM 1443 N ILE A 90 10.408 14.381 4.991 1.00 74.01 N ATOM 1444 CA ILE A 90 11.461 13.407 4.675 1.00 43.23 C ATOM 1445 C ILE A 90 11.206 12.712 3.323 1.00 71.03 C ATOM 1446 O ILE A 90 10.061 12.438 2.957 1.00 34.23 O ATOM 1447 CB ILE A 90 11.605 12.340 5.791 1.00 41.11 C ATOM 1448 CG1 ILE A 90 10.304 11.529 5.951 1.00 51.13 C ATOM 1449 CG2 ILE A 90 11.998 13.001 7.114 1.00 10.42 C ATOM 1450 CD1 ILE A 90 10.390 10.433 6.994 1.00 21.14 C ATOM 0 H ILE A 90 9.839 14.136 5.801 1.00 74.01 H new ATOM 0 HA ILE A 90 12.393 13.969 4.607 1.00 43.23 H new ATOM 0 HB ILE A 90 12.397 11.649 5.502 1.00 41.11 H new ATOM 0 HG12 ILE A 90 9.494 12.208 6.217 1.00 51.13 H new ATOM 0 HG13 ILE A 90 10.044 11.084 4.991 1.00 51.13 H new ATOM 0 HG21 ILE A 90 12.095 12.239 7.887 1.00 10.42 H new ATOM 0 HG22 ILE A 90 12.950 13.519 6.994 1.00 10.42 H new ATOM 0 HG23 ILE A 90 11.230 13.717 7.405 1.00 10.42 H new ATOM 0 HD11 ILE A 90 9.437 9.907 7.049 1.00 21.14 H new ATOM 0 HD12 ILE A 90 11.177 9.730 6.719 1.00 21.14 H new ATOM 0 HD13 ILE A 90 10.618 10.872 7.965 1.00 21.14 H new ATOM 1462 N SER A 91 12.278 12.440 2.581 1.00 50.11 N ATOM 1463 CA SER A 91 12.161 11.838 1.243 1.00 3.45 C ATOM 1464 C SER A 91 11.833 10.338 1.288 1.00 53.52 C ATOM 1465 O SER A 91 11.955 9.679 2.326 1.00 61.41 O ATOM 1466 CB SER A 91 13.455 12.039 0.447 1.00 24.53 C ATOM 1467 OG SER A 91 13.397 11.364 -0.804 1.00 41.21 O ATOM 0 H SER A 91 13.237 12.624 2.877 1.00 50.11 H new ATOM 0 HA SER A 91 11.331 12.348 0.754 1.00 3.45 H new ATOM 0 HB2 SER A 91 13.622 13.103 0.282 1.00 24.53 H new ATOM 0 HB3 SER A 91 14.302 11.669 1.025 1.00 24.53 H new ATOM 0 HG SER A 91 14.234 11.509 -1.293 1.00 41.21 H new ATOM 1473 N MET A 92 11.443 9.803 0.130 1.00 64.53 N ATOM 1474 CA MET A 92 11.138 8.377 -0.021 1.00 11.02 C ATOM 1475 C MET A 92 12.317 7.497 0.433 1.00 30.31 C ATOM 1476 O MET A 92 12.125 6.361 0.867 1.00 42.45 O ATOM 1477 CB MET A 92 10.788 8.067 -1.483 1.00 4.01 C ATOM 1478 CG MET A 92 11.900 8.417 -2.465 1.00 4.15 C ATOM 1479 SD MET A 92 11.470 8.032 -4.174 1.00 53.53 S ATOM 1480 CE MET A 92 11.224 6.257 -4.079 1.00 22.14 C ATOM 0 H MET A 92 11.330 10.343 -0.728 1.00 64.53 H new ATOM 0 HA MET A 92 10.283 8.149 0.615 1.00 11.02 H new ATOM 0 HB2 MET A 92 10.555 7.006 -1.575 1.00 4.01 H new ATOM 0 HB3 MET A 92 9.887 8.616 -1.756 1.00 4.01 H new ATOM 0 HG2 MET A 92 12.129 9.479 -2.383 1.00 4.15 H new ATOM 0 HG3 MET A 92 12.804 7.874 -2.191 1.00 4.15 H new ATOM 0 HE1 MET A 92 11.627 5.785 -4.975 1.00 22.14 H new ATOM 0 HE2 MET A 92 11.737 5.865 -3.201 1.00 22.14 H new ATOM 0 HE3 MET A 92 10.158 6.041 -4.003 1.00 22.14 H new ATOM 1490 N ALA A 93 13.533 8.040 0.335 1.00 22.32 N ATOM 1491 CA ALA A 93 14.741 7.335 0.778 1.00 63.02 C ATOM 1492 C ALA A 93 14.633 6.904 2.251 1.00 43.13 C ATOM 1493 O ALA A 93 14.980 5.777 2.609 1.00 52.30 O ATOM 1494 CB ALA A 93 15.965 8.219 0.573 1.00 55.30 C ATOM 0 H ALA A 93 13.709 8.969 -0.048 1.00 22.32 H new ATOM 0 HA ALA A 93 14.845 6.433 0.176 1.00 63.02 H new ATOM 0 HB1 ALA A 93 16.857 7.688 0.905 1.00 55.30 H new ATOM 0 HB2 ALA A 93 16.062 8.467 -0.484 1.00 55.30 H new ATOM 0 HB3 ALA A 93 15.853 9.136 1.152 1.00 55.30 H new ATOM 1500 N GLU A 94 14.140 7.808 3.096 1.00 50.34 N ATOM 1501 CA GLU A 94 13.947 7.514 4.520 1.00 63.51 C ATOM 1502 C GLU A 94 12.725 6.609 4.744 1.00 13.04 C ATOM 1503 O GLU A 94 12.714 5.781 5.657 1.00 21.23 O ATOM 1504 CB GLU A 94 13.813 8.818 5.321 1.00 61.20 C ATOM 1505 CG GLU A 94 15.074 9.680 5.282 1.00 54.23 C ATOM 1506 CD GLU A 94 15.023 10.869 6.230 1.00 65.32 C ATOM 1507 OE1 GLU A 94 14.831 10.654 7.446 1.00 22.14 O ATOM 1508 OE2 GLU A 94 15.214 12.015 5.773 1.00 41.13 O ATOM 0 H GLU A 94 13.866 8.751 2.822 1.00 50.34 H new ATOM 0 HA GLU A 94 14.825 6.975 4.875 1.00 63.51 H new ATOM 0 HB2 GLU A 94 12.975 9.394 4.928 1.00 61.20 H new ATOM 0 HB3 GLU A 94 13.577 8.578 6.358 1.00 61.20 H new ATOM 0 HG2 GLU A 94 15.936 9.062 5.533 1.00 54.23 H new ATOM 0 HG3 GLU A 94 15.226 10.042 4.265 1.00 54.23 H new ATOM 1515 N ALA A 95 11.699 6.765 3.905 1.00 5.44 N ATOM 1516 CA ALA A 95 10.525 5.882 3.947 1.00 64.24 C ATOM 1517 C ALA A 95 10.931 4.420 3.698 1.00 40.13 C ATOM 1518 O ALA A 95 10.426 3.501 4.342 1.00 4.03 O ATOM 1519 CB ALA A 95 9.485 6.332 2.925 1.00 64.34 C ATOM 0 H ALA A 95 11.654 7.491 3.190 1.00 5.44 H new ATOM 0 HA ALA A 95 10.084 5.946 4.942 1.00 64.24 H new ATOM 0 HB1 ALA A 95 8.622 5.668 2.968 1.00 64.34 H new ATOM 0 HB2 ALA A 95 9.171 7.351 3.150 1.00 64.34 H new ATOM 0 HB3 ALA A 95 9.919 6.298 1.926 1.00 64.34 H new ATOM 1525 N GLN A 96 11.862 4.220 2.764 1.00 44.21 N ATOM 1526 CA GLN A 96 12.434 2.894 2.495 1.00 72.54 C ATOM 1527 C GLN A 96 13.287 2.390 3.671 1.00 23.32 C ATOM 1528 O GLN A 96 13.473 1.183 3.841 1.00 32.35 O ATOM 1529 CB GLN A 96 13.272 2.935 1.208 1.00 23.50 C ATOM 1530 CG GLN A 96 12.456 2.736 -0.063 1.00 72.55 C ATOM 1531 CD GLN A 96 11.996 1.296 -0.228 1.00 53.54 C ATOM 1532 OE1 GLN A 96 12.661 0.487 -0.865 1.00 25.32 O ATOM 1533 NE2 GLN A 96 10.874 0.958 0.371 1.00 14.13 N ATOM 0 H GLN A 96 12.240 4.963 2.176 1.00 44.21 H new ATOM 0 HA GLN A 96 11.608 2.195 2.367 1.00 72.54 H new ATOM 0 HB2 GLN A 96 13.787 3.894 1.151 1.00 23.50 H new ATOM 0 HB3 GLN A 96 14.040 2.163 1.261 1.00 23.50 H new ATOM 0 HG2 GLN A 96 11.587 3.394 -0.042 1.00 72.55 H new ATOM 0 HG3 GLN A 96 13.054 3.026 -0.927 1.00 72.55 H new ATOM 0 HE21 GLN A 96 10.344 1.656 0.893 1.00 14.13 H new ATOM 0 HE22 GLN A 96 10.534 -0.002 0.313 1.00 14.13 H new ATOM 1542 N GLY A 97 13.812 3.319 4.465 1.00 51.51 N ATOM 1543 CA GLY A 97 14.578 2.952 5.654 1.00 34.44 C ATOM 1544 C GLY A 97 13.688 2.594 6.841 1.00 51.22 C ATOM 1545 O GLY A 97 14.163 2.064 7.849 1.00 41.50 O ATOM 0 H GLY A 97 13.723 4.323 4.310 1.00 51.51 H new ATOM 0 HA2 GLY A 97 15.222 2.104 5.419 1.00 34.44 H new ATOM 0 HA3 GLY A 97 15.230 3.780 5.931 1.00 34.44 H new ATOM 1549 N LYS A 98 12.395 2.897 6.729 1.00 0.33 N ATOM 1550 CA LYS A 98 11.424 2.575 7.782 1.00 61.05 C ATOM 1551 C LYS A 98 10.542 1.380 7.366 1.00 73.53 C ATOM 1552 O LYS A 98 10.196 0.536 8.193 1.00 70.51 O ATOM 1553 CB LYS A 98 10.571 3.821 8.099 1.00 62.32 C ATOM 1554 CG LYS A 98 9.827 3.769 9.439 1.00 2.53 C ATOM 1555 CD LYS A 98 8.519 2.983 9.358 1.00 54.21 C ATOM 1556 CE LYS A 98 7.841 2.872 10.717 1.00 5.02 C ATOM 1557 NZ LYS A 98 8.602 1.995 11.646 1.00 54.23 N ATOM 0 H LYS A 98 11.992 3.366 5.918 1.00 0.33 H new ATOM 0 HA LYS A 98 11.960 2.284 8.685 1.00 61.05 H new ATOM 0 HB2 LYS A 98 11.218 4.698 8.093 1.00 62.32 H new ATOM 0 HB3 LYS A 98 9.842 3.957 7.300 1.00 62.32 H new ATOM 0 HG2 LYS A 98 10.473 3.315 10.191 1.00 2.53 H new ATOM 0 HG3 LYS A 98 9.615 4.785 9.772 1.00 2.53 H new ATOM 0 HD2 LYS A 98 7.845 3.471 8.654 1.00 54.21 H new ATOM 0 HD3 LYS A 98 8.718 1.985 8.969 1.00 54.21 H new ATOM 0 HE2 LYS A 98 7.741 3.865 11.155 1.00 5.02 H new ATOM 0 HE3 LYS A 98 6.833 2.477 10.589 1.00 5.02 H new ATOM 0 HZ1 LYS A 98 8.030 1.808 12.494 1.00 54.23 H new ATOM 0 HZ2 LYS A 98 8.823 1.096 11.172 1.00 54.23 H new ATOM 0 HZ3 LYS A 98 9.487 2.467 11.922 1.00 54.23 H new ATOM 1571 N PHE A 99 10.180 1.317 6.084 1.00 52.41 N ATOM 1572 CA PHE A 99 9.415 0.184 5.539 1.00 54.11 C ATOM 1573 C PHE A 99 10.241 -0.592 4.492 1.00 53.00 C ATOM 1574 O PHE A 99 10.002 -0.468 3.287 1.00 71.54 O ATOM 1575 CB PHE A 99 8.104 0.665 4.894 1.00 0.25 C ATOM 1576 CG PHE A 99 7.152 1.349 5.843 1.00 4.14 C ATOM 1577 CD1 PHE A 99 6.391 0.608 6.737 1.00 1.32 C ATOM 1578 CD2 PHE A 99 7.011 2.730 5.832 1.00 71.33 C ATOM 1579 CE1 PHE A 99 5.511 1.231 7.602 1.00 71.13 C ATOM 1580 CE2 PHE A 99 6.131 3.357 6.694 1.00 54.14 C ATOM 1581 CZ PHE A 99 5.381 2.607 7.581 1.00 21.25 C ATOM 0 H PHE A 99 10.403 2.038 5.398 1.00 52.41 H new ATOM 0 HA PHE A 99 9.183 -0.480 6.372 1.00 54.11 H new ATOM 0 HB2 PHE A 99 8.344 1.352 4.083 1.00 0.25 H new ATOM 0 HB3 PHE A 99 7.599 -0.191 4.447 1.00 0.25 H new ATOM 0 HD1 PHE A 99 6.488 -0.467 6.757 1.00 1.32 H new ATOM 0 HD2 PHE A 99 7.595 3.321 5.142 1.00 71.33 H new ATOM 0 HE1 PHE A 99 4.926 0.643 8.294 1.00 71.13 H new ATOM 0 HE2 PHE A 99 6.029 4.432 6.675 1.00 54.14 H new ATOM 0 HZ PHE A 99 4.695 3.096 8.257 1.00 21.25 H new ATOM 1591 N PRO A 100 11.216 -1.417 4.928 1.00 1.33 N ATOM 1592 CA PRO A 100 12.091 -2.164 4.005 1.00 51.32 C ATOM 1593 C PRO A 100 11.375 -3.345 3.326 1.00 60.14 C ATOM 1594 O PRO A 100 11.953 -4.037 2.483 1.00 63.05 O ATOM 1595 CB PRO A 100 13.219 -2.658 4.921 1.00 62.33 C ATOM 1596 CG PRO A 100 12.578 -2.792 6.261 1.00 33.33 C ATOM 1597 CD PRO A 100 11.548 -1.692 6.343 1.00 73.44 C ATOM 0 HA PRO A 100 12.434 -1.545 3.176 1.00 51.32 H new ATOM 0 HB2 PRO A 100 13.622 -3.610 4.577 1.00 62.33 H new ATOM 0 HB3 PRO A 100 14.048 -1.951 4.946 1.00 62.33 H new ATOM 0 HG2 PRO A 100 12.113 -3.771 6.374 1.00 33.33 H new ATOM 0 HG3 PRO A 100 13.316 -2.696 7.058 1.00 33.33 H new ATOM 0 HD2 PRO A 100 10.670 -2.007 6.907 1.00 73.44 H new ATOM 0 HD3 PRO A 100 11.946 -0.807 6.840 1.00 73.44 H new ATOM 1605 N GLU A 101 10.120 -3.577 3.705 1.00 74.45 N ATOM 1606 CA GLU A 101 9.310 -4.657 3.128 1.00 32.20 C ATOM 1607 C GLU A 101 8.428 -4.153 1.977 1.00 25.12 C ATOM 1608 O GLU A 101 7.943 -4.941 1.164 1.00 22.54 O ATOM 1609 CB GLU A 101 8.422 -5.274 4.215 1.00 34.22 C ATOM 1610 CG GLU A 101 9.195 -5.797 5.419 1.00 54.04 C ATOM 1611 CD GLU A 101 8.281 -6.305 6.519 1.00 62.35 C ATOM 1612 OE1 GLU A 101 7.847 -5.492 7.362 1.00 44.51 O ATOM 1613 OE2 GLU A 101 7.986 -7.517 6.547 1.00 55.53 O ATOM 0 H GLU A 101 9.635 -3.028 4.415 1.00 74.45 H new ATOM 0 HA GLU A 101 9.993 -5.407 2.729 1.00 32.20 H new ATOM 0 HB2 GLU A 101 7.705 -4.526 4.553 1.00 34.22 H new ATOM 0 HB3 GLU A 101 7.848 -6.092 3.780 1.00 34.22 H new ATOM 0 HG2 GLU A 101 9.857 -6.602 5.100 1.00 54.04 H new ATOM 0 HG3 GLU A 101 9.827 -5.002 5.814 1.00 54.04 H new ATOM 1620 N VAL A 102 8.222 -2.841 1.910 1.00 54.44 N ATOM 1621 CA VAL A 102 7.310 -2.247 0.923 1.00 74.25 C ATOM 1622 C VAL A 102 8.072 -1.650 -0.276 1.00 13.32 C ATOM 1623 O VAL A 102 9.209 -1.193 -0.143 1.00 31.23 O ATOM 1624 CB VAL A 102 6.433 -1.147 1.579 1.00 50.44 C ATOM 1625 CG1 VAL A 102 5.412 -0.582 0.592 1.00 75.34 C ATOM 1626 CG2 VAL A 102 5.735 -1.687 2.830 1.00 75.13 C ATOM 0 H VAL A 102 8.672 -2.164 2.526 1.00 54.44 H new ATOM 0 HA VAL A 102 6.671 -3.050 0.556 1.00 74.25 H new ATOM 0 HB VAL A 102 7.092 -0.331 1.875 1.00 50.44 H new ATOM 0 HG11 VAL A 102 4.815 0.185 1.085 1.00 75.34 H new ATOM 0 HG12 VAL A 102 5.933 -0.145 -0.260 1.00 75.34 H new ATOM 0 HG13 VAL A 102 4.759 -1.383 0.246 1.00 75.34 H new ATOM 0 HG21 VAL A 102 5.125 -0.900 3.275 1.00 75.13 H new ATOM 0 HG22 VAL A 102 5.099 -2.529 2.557 1.00 75.13 H new ATOM 0 HG23 VAL A 102 6.483 -2.017 3.550 1.00 75.13 H new ATOM 1636 N VAL A 103 7.443 -1.671 -1.450 1.00 74.51 N ATOM 1637 CA VAL A 103 8.011 -1.063 -2.659 1.00 50.45 C ATOM 1638 C VAL A 103 7.480 0.365 -2.846 1.00 32.41 C ATOM 1639 O VAL A 103 6.291 0.611 -2.690 1.00 23.00 O ATOM 1640 CB VAL A 103 7.672 -1.910 -3.914 1.00 41.14 C ATOM 1641 CG1 VAL A 103 8.137 -1.219 -5.196 1.00 51.30 C ATOM 1642 CG2 VAL A 103 8.286 -3.303 -3.796 1.00 61.44 C ATOM 0 H VAL A 103 6.532 -2.106 -1.593 1.00 74.51 H new ATOM 0 HA VAL A 103 9.094 -1.029 -2.537 1.00 50.45 H new ATOM 0 HB VAL A 103 6.588 -2.010 -3.970 1.00 41.14 H new ATOM 0 HG11 VAL A 103 7.884 -1.839 -6.056 1.00 51.30 H new ATOM 0 HG12 VAL A 103 7.643 -0.252 -5.288 1.00 51.30 H new ATOM 0 HG13 VAL A 103 9.216 -1.073 -5.159 1.00 51.30 H new ATOM 0 HG21 VAL A 103 8.040 -3.886 -4.684 1.00 61.44 H new ATOM 0 HG22 VAL A 103 9.369 -3.217 -3.707 1.00 61.44 H new ATOM 0 HG23 VAL A 103 7.888 -3.802 -2.912 1.00 61.44 H new ATOM 1652 N PHE A 104 8.363 1.308 -3.174 1.00 11.34 N ATOM 1653 CA PHE A 104 7.964 2.711 -3.364 1.00 1.22 C ATOM 1654 C PHE A 104 8.278 3.209 -4.783 1.00 23.21 C ATOM 1655 O PHE A 104 9.226 2.753 -5.423 1.00 74.22 O ATOM 1656 CB PHE A 104 8.663 3.616 -2.331 1.00 71.24 C ATOM 1657 CG PHE A 104 8.096 3.523 -0.933 1.00 42.53 C ATOM 1658 CD1 PHE A 104 8.309 2.397 -0.153 1.00 52.35 C ATOM 1659 CD2 PHE A 104 7.353 4.567 -0.399 1.00 43.41 C ATOM 1660 CE1 PHE A 104 7.794 2.315 1.129 1.00 71.30 C ATOM 1661 CE2 PHE A 104 6.836 4.490 0.880 1.00 61.11 C ATOM 1662 CZ PHE A 104 7.056 3.362 1.645 1.00 73.11 C ATOM 0 H PHE A 104 9.358 1.131 -3.314 1.00 11.34 H new ATOM 0 HA PHE A 104 6.885 2.760 -3.220 1.00 1.22 H new ATOM 0 HB2 PHE A 104 9.722 3.359 -2.298 1.00 71.24 H new ATOM 0 HB3 PHE A 104 8.597 4.650 -2.669 1.00 71.24 H new ATOM 0 HD1 PHE A 104 8.884 1.574 -0.551 1.00 52.35 H new ATOM 0 HD2 PHE A 104 7.177 5.452 -0.992 1.00 43.41 H new ATOM 0 HE1 PHE A 104 7.969 1.432 1.726 1.00 71.30 H new ATOM 0 HE2 PHE A 104 6.260 5.311 1.281 1.00 61.11 H new ATOM 0 HZ PHE A 104 6.652 3.299 2.645 1.00 73.11 H new ATOM 1672 N SER A 105 7.462 4.145 -5.264 1.00 13.31 N ATOM 1673 CA SER A 105 7.691 4.811 -6.555 1.00 4.22 C ATOM 1674 C SER A 105 7.639 6.333 -6.376 1.00 44.05 C ATOM 1675 O SER A 105 6.583 6.894 -6.082 1.00 22.35 O ATOM 1676 CB SER A 105 6.638 4.379 -7.592 1.00 34.22 C ATOM 1677 OG SER A 105 6.703 2.984 -7.858 1.00 53.41 O ATOM 0 H SER A 105 6.626 4.466 -4.776 1.00 13.31 H new ATOM 0 HA SER A 105 8.677 4.519 -6.917 1.00 4.22 H new ATOM 0 HB2 SER A 105 5.643 4.634 -7.228 1.00 34.22 H new ATOM 0 HB3 SER A 105 6.790 4.933 -8.518 1.00 34.22 H new ATOM 0 HG SER A 105 6.020 2.745 -8.519 1.00 53.41 H new