USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 957 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 97 MET CE :methyl 164:sc= -0.846 (180deg=-0.038) USER MOD Set 1.2: A 100 GLN : amide:sc= -6.39! K(o=-7.2!,f=-3.8) USER MOD Set 2.1: A 57 ASN : amide:sc= -0.0546 K(o=1.9,f=-5.4!) USER MOD Set 2.2: A 62 SER OG : rot 45:sc= 1.03 USER MOD Set 2.3: A 64 ASN : amide:sc= 0.91 K(o=1.9,f=0.066) USER MOD Set 3.1: A 55 SER OG : rot 34:sc= 0.152 USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 50 ASN : amide:sc= 0.426 K(o=0.83,f=-1.5) USER MOD Set 4.2: A 68 LYS NZ :NH3+ 175:sc= 0.405 (180deg=-0.0245) USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0144) USER MOD Single : A 37 HIS : no HE2:sc= 0.702 K(o=0.7,f=-5!) USER MOD Single : A 42 SER OG : rot 160:sc= -2.55! USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -0.0323 (180deg=-0.233) USER MOD Single : A 45 TYR OH : rot 30:sc= -0.916 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0357 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.398 K(o=-0.4,f=-5.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -173:sc= -2.21! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 62:sc= -2.79! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0361 K(o=-0.036,f=-1.1) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= 0.598 (180deg=-0.168) USER MOD Single : A 84 MET CE :methyl 165:sc=-0.00491 (180deg=-0.627) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 90 LYS NZ :NH3+ -167:sc= -0.0526 (180deg=-0.301) USER MOD Single : A 101 LYS NZ :NH3+ -158:sc= 2.4 (180deg=1.86) USER MOD Single : A 106 LYS NZ :NH3+ 133:sc= 2.38 (180deg=0.0606) USER MOD Single : A 109 SER OG : rot -78:sc= 1.07 USER MOD Single : A 110 MET CE :methyl -178:sc= -7.12! (180deg=-7.34!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -151:sc= -0.43 (180deg=-1.2) USER MOD Single : A 125 THR OG1 : rot 35:sc= 0.275 USER MOD Single : A 130 LYS NZ :NH3+ -154:sc= 0.575 (180deg=-1.09!) USER MOD Single : A 135 LYS NZ :NH3+ -118:sc= 1.34 (180deg=-2.84!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 555 THR OG1 : rot 180:sc= 0 USER MOD Single : B 556 THR OG1 : rot -86:sc= 0.75 USER MOD Single : B 562 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 563 SER OG : rot 180:sc= 0 USER MOD Single : B 566 SER OG : rot 87:sc= 1.22 USER MOD Single : B 567 TYR OH : rot 124:sc= 0.29 USER MOD Single : B 569 ASN : amide:sc= -3.39! K(o=-3.4!,f=-1.3) USER MOD Single : B 570 TYR OH : rot 180:sc= -0.0355 USER MOD ----------------------------------------------------------------- ATOM 76 N LYS A 34 -2.438 5.525 10.271 1.00 0.62 N ATOM 77 CA LYS A 34 -2.347 4.100 10.329 1.00 0.54 C ATOM 78 C LYS A 34 -1.053 3.643 9.668 1.00 0.43 C ATOM 79 O LYS A 34 -0.956 3.611 8.441 1.00 0.53 O ATOM 80 CB LYS A 34 -3.547 3.534 9.589 1.00 0.66 C ATOM 81 CG LYS A 34 -4.752 3.269 10.471 1.00 0.83 C ATOM 82 CD LYS A 34 -5.486 4.532 10.852 1.00 0.84 C ATOM 83 CE LYS A 34 -6.497 4.229 11.934 1.00 0.90 C ATOM 84 NZ LYS A 34 -5.873 4.130 13.280 1.00 1.23 N ATOM 0 HA LYS A 34 -2.343 3.751 11.362 1.00 0.54 H new ATOM 0 HB2 LYS A 34 -3.834 4.229 8.800 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -3.254 2.603 9.103 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -5.437 2.599 9.951 1.00 0.83 H new ATOM 0 HG3 LYS A 34 -4.428 2.755 11.376 1.00 0.83 H new ATOM 0 HD2 LYS A 34 -4.778 5.283 11.203 1.00 0.84 H new ATOM 0 HD3 LYS A 34 -5.988 4.950 9.979 1.00 0.84 H new ATOM 0 HE2 LYS A 34 -7.258 5.009 11.946 1.00 0.90 H new ATOM 0 HE3 LYS A 34 -7.004 3.293 11.702 1.00 0.90 H new ATOM 0 HZ1 LYS A 34 -6.616 4.023 14.000 1.00 1.23 H new ATOM 0 HZ2 LYS A 34 -5.240 3.305 13.310 1.00 1.23 H new ATOM 0 HZ3 LYS A 34 -5.326 4.993 13.473 1.00 1.23 H new ATOM 98 N GLU A 35 -0.066 3.294 10.477 1.00 0.43 N ATOM 99 CA GLU A 35 1.232 2.892 9.957 1.00 0.48 C ATOM 100 C GLU A 35 1.204 1.432 9.531 1.00 0.40 C ATOM 101 O GLU A 35 1.310 0.525 10.363 1.00 0.55 O ATOM 102 CB GLU A 35 2.336 3.100 11.001 1.00 0.75 C ATOM 103 CG GLU A 35 2.278 4.443 11.716 1.00 1.06 C ATOM 104 CD GLU A 35 1.468 4.389 12.999 1.00 1.35 C ATOM 105 OE1 GLU A 35 0.510 3.590 13.077 1.00 1.86 O ATOM 106 OE2 GLU A 35 1.805 5.131 13.948 1.00 1.83 O ATOM 0 H GLU A 35 -0.138 3.281 11.494 1.00 0.43 H new ATOM 0 HA GLU A 35 1.450 3.518 9.091 1.00 0.48 H new ATOM 0 HB2 GLU A 35 2.273 2.304 11.743 1.00 0.75 H new ATOM 0 HB3 GLU A 35 3.305 3.004 10.512 1.00 0.75 H new ATOM 0 HG2 GLU A 35 3.292 4.772 11.945 1.00 1.06 H new ATOM 0 HG3 GLU A 35 1.844 5.187 11.048 1.00 1.06 H new ATOM 113 N TRP A 36 1.039 1.207 8.241 1.00 0.28 N ATOM 114 CA TRP A 36 1.071 -0.141 7.697 1.00 0.25 C ATOM 115 C TRP A 36 2.496 -0.505 7.278 1.00 0.26 C ATOM 116 O TRP A 36 3.214 0.320 6.716 1.00 0.40 O ATOM 117 CB TRP A 36 0.149 -0.278 6.481 1.00 0.26 C ATOM 118 CG TRP A 36 -1.261 0.215 6.676 1.00 0.19 C ATOM 119 CD1 TRP A 36 -1.929 1.081 5.861 1.00 0.56 C ATOM 120 CD2 TRP A 36 -2.179 -0.124 7.729 1.00 0.54 C ATOM 121 NE1 TRP A 36 -3.204 1.288 6.328 1.00 0.47 N ATOM 122 CE2 TRP A 36 -3.380 0.568 7.471 1.00 0.27 C ATOM 123 CE3 TRP A 36 -2.112 -0.940 8.858 1.00 1.19 C ATOM 124 CZ2 TRP A 36 -4.495 0.466 8.292 1.00 0.56 C ATOM 125 CZ3 TRP A 36 -3.222 -1.039 9.678 1.00 1.51 C ATOM 126 CH2 TRP A 36 -4.400 -0.340 9.390 1.00 1.19 C ATOM 0 H TRP A 36 0.881 1.939 7.549 1.00 0.28 H new ATOM 0 HA TRP A 36 0.724 -0.817 8.479 1.00 0.25 H new ATOM 0 HB2 TRP A 36 0.593 0.266 5.647 1.00 0.26 H new ATOM 0 HB3 TRP A 36 0.111 -1.328 6.192 1.00 0.26 H new ATOM 0 HD1 TRP A 36 -1.515 1.539 4.975 1.00 0.56 H new ATOM 0 HE1 TRP A 36 -3.906 1.885 5.890 1.00 0.47 H new ATOM 0 HE3 TRP A 36 -1.209 -1.485 9.088 1.00 1.19 H new ATOM 0 HZ2 TRP A 36 -5.404 1.005 8.070 1.00 0.56 H new ATOM 0 HZ3 TRP A 36 -3.179 -1.667 10.556 1.00 1.51 H new ATOM 0 HH2 TRP A 36 -5.250 -0.440 10.049 1.00 1.19 H new ATOM 137 N HIS A 37 2.905 -1.734 7.554 1.00 0.25 N ATOM 138 CA HIS A 37 4.217 -2.219 7.123 1.00 0.25 C ATOM 139 C HIS A 37 4.075 -3.026 5.839 1.00 0.24 C ATOM 140 O HIS A 37 3.471 -4.093 5.846 1.00 0.30 O ATOM 141 CB HIS A 37 4.860 -3.083 8.214 1.00 0.29 C ATOM 142 CG HIS A 37 5.355 -2.308 9.399 1.00 0.34 C ATOM 143 ND1 HIS A 37 6.669 -1.919 9.554 1.00 0.61 N ATOM 144 CD2 HIS A 37 4.703 -1.856 10.495 1.00 0.68 C ATOM 145 CE1 HIS A 37 6.802 -1.267 10.693 1.00 0.51 C ATOM 146 NE2 HIS A 37 5.623 -1.209 11.286 1.00 0.56 N ATOM 0 H HIS A 37 2.352 -2.416 8.073 1.00 0.25 H new ATOM 0 HA HIS A 37 4.861 -1.359 6.939 1.00 0.25 H new ATOM 0 HB2 HIS A 37 4.133 -3.820 8.554 1.00 0.29 H new ATOM 0 HB3 HIS A 37 5.694 -3.635 7.780 1.00 0.29 H new ATOM 0 HD1 HIS A 37 7.421 -2.106 8.891 1.00 0.61 H new ATOM 0 HD2 HIS A 37 3.652 -1.981 10.709 1.00 0.68 H new ATOM 0 HE1 HIS A 37 7.721 -0.850 11.077 1.00 0.51 H new ATOM 155 N ILE A 38 4.615 -2.516 4.738 1.00 0.20 N ATOM 156 CA ILE A 38 4.427 -3.157 3.440 1.00 0.20 C ATOM 157 C ILE A 38 5.189 -4.479 3.346 1.00 0.21 C ATOM 158 O ILE A 38 6.364 -4.567 3.698 1.00 0.27 O ATOM 159 CB ILE A 38 4.845 -2.234 2.278 1.00 0.20 C ATOM 160 CG1 ILE A 38 4.127 -0.895 2.383 1.00 0.21 C ATOM 161 CG2 ILE A 38 4.507 -2.877 0.950 1.00 0.21 C ATOM 162 CD1 ILE A 38 4.662 0.155 1.436 1.00 0.20 C ATOM 0 H ILE A 38 5.182 -1.668 4.716 1.00 0.20 H new ATOM 0 HA ILE A 38 3.360 -3.362 3.352 1.00 0.20 H new ATOM 0 HB ILE A 38 5.921 -2.073 2.339 1.00 0.20 H new ATOM 0 HG12 ILE A 38 3.066 -1.045 2.184 1.00 0.21 H new ATOM 0 HG13 ILE A 38 4.211 -0.527 3.405 1.00 0.21 H new ATOM 0 HG21 ILE A 38 4.807 -2.215 0.138 1.00 0.21 H new ATOM 0 HG22 ILE A 38 5.037 -3.825 0.860 1.00 0.21 H new ATOM 0 HG23 ILE A 38 3.433 -3.055 0.895 1.00 0.21 H new ATOM 0 HD11 ILE A 38 4.103 1.082 1.567 1.00 0.20 H new ATOM 0 HD12 ILE A 38 5.716 0.334 1.649 1.00 0.20 H new ATOM 0 HD13 ILE A 38 4.553 -0.192 0.409 1.00 0.20 H new ATOM 174 N VAL A 39 4.488 -5.499 2.875 1.00 0.19 N ATOM 175 CA VAL A 39 5.034 -6.842 2.745 1.00 0.18 C ATOM 176 C VAL A 39 5.127 -7.251 1.285 1.00 0.16 C ATOM 177 O VAL A 39 4.178 -7.074 0.538 1.00 0.18 O ATOM 178 CB VAL A 39 4.133 -7.860 3.463 1.00 0.20 C ATOM 179 CG1 VAL A 39 4.626 -9.280 3.259 1.00 0.23 C ATOM 180 CG2 VAL A 39 4.020 -7.529 4.928 1.00 0.26 C ATOM 0 H VAL A 39 3.518 -5.418 2.570 1.00 0.19 H new ATOM 0 HA VAL A 39 6.028 -6.832 3.192 1.00 0.18 H new ATOM 0 HB VAL A 39 3.139 -7.796 3.021 1.00 0.20 H new ATOM 0 HG11 VAL A 39 3.965 -9.973 3.780 1.00 0.23 H new ATOM 0 HG12 VAL A 39 4.630 -9.514 2.194 1.00 0.23 H new ATOM 0 HG13 VAL A 39 5.637 -9.375 3.655 1.00 0.23 H new ATOM 0 HG21 VAL A 39 3.378 -8.261 5.418 1.00 0.26 H new ATOM 0 HG22 VAL A 39 5.010 -7.552 5.384 1.00 0.26 H new ATOM 0 HG23 VAL A 39 3.590 -6.534 5.044 1.00 0.26 H new ATOM 190 N PRO A 40 6.262 -7.799 0.855 1.00 0.14 N ATOM 191 CA PRO A 40 6.409 -8.357 -0.479 1.00 0.14 C ATOM 192 C PRO A 40 5.960 -9.818 -0.533 1.00 0.16 C ATOM 193 O PRO A 40 6.607 -10.701 0.033 1.00 0.28 O ATOM 194 CB PRO A 40 7.912 -8.243 -0.749 1.00 0.17 C ATOM 195 CG PRO A 40 8.536 -7.727 0.515 1.00 0.15 C ATOM 196 CD PRO A 40 7.512 -7.900 1.602 1.00 0.14 C ATOM 0 HA PRO A 40 5.796 -7.838 -1.216 1.00 0.14 H new ATOM 0 HB2 PRO A 40 8.331 -9.212 -1.021 1.00 0.17 H new ATOM 0 HB3 PRO A 40 8.106 -7.566 -1.581 1.00 0.17 H new ATOM 0 HG2 PRO A 40 9.447 -8.277 0.750 1.00 0.15 H new ATOM 0 HG3 PRO A 40 8.815 -6.679 0.409 1.00 0.15 H new ATOM 0 HD2 PRO A 40 7.610 -8.861 2.107 1.00 0.14 H new ATOM 0 HD3 PRO A 40 7.594 -7.128 2.367 1.00 0.14 H new ATOM 204 N VAL A 41 4.841 -10.068 -1.201 1.00 0.14 N ATOM 205 CA VAL A 41 4.311 -11.422 -1.329 1.00 0.16 C ATOM 206 C VAL A 41 5.085 -12.209 -2.377 1.00 0.18 C ATOM 207 O VAL A 41 5.455 -13.363 -2.162 1.00 0.23 O ATOM 208 CB VAL A 41 2.819 -11.429 -1.742 1.00 0.17 C ATOM 209 CG1 VAL A 41 2.310 -12.853 -1.899 1.00 0.21 C ATOM 210 CG2 VAL A 41 1.955 -10.670 -0.750 1.00 0.20 C ATOM 0 H VAL A 41 4.282 -9.351 -1.663 1.00 0.14 H new ATOM 0 HA VAL A 41 4.415 -11.882 -0.346 1.00 0.16 H new ATOM 0 HB VAL A 41 2.748 -10.920 -2.703 1.00 0.17 H new ATOM 0 HG11 VAL A 41 1.260 -12.834 -2.189 1.00 0.21 H new ATOM 0 HG12 VAL A 41 2.890 -13.364 -2.668 1.00 0.21 H new ATOM 0 HG13 VAL A 41 2.415 -13.383 -0.953 1.00 0.21 H new ATOM 0 HG21 VAL A 41 0.915 -10.699 -1.076 1.00 0.20 H new ATOM 0 HG22 VAL A 41 2.039 -11.132 0.234 1.00 0.20 H new ATOM 0 HG23 VAL A 41 2.289 -9.634 -0.694 1.00 0.20 H new ATOM 220 N SER A 42 5.321 -11.571 -3.512 1.00 0.19 N ATOM 221 CA SER A 42 5.884 -12.235 -4.667 1.00 0.25 C ATOM 222 C SER A 42 7.410 -12.270 -4.628 1.00 0.24 C ATOM 223 O SER A 42 8.044 -11.656 -3.767 1.00 0.35 O ATOM 224 CB SER A 42 5.407 -11.515 -5.918 1.00 0.34 C ATOM 225 OG SER A 42 5.724 -10.142 -5.849 1.00 1.08 O ATOM 0 H SER A 42 5.127 -10.580 -3.654 1.00 0.19 H new ATOM 0 HA SER A 42 5.546 -13.271 -4.668 1.00 0.25 H new ATOM 0 HB2 SER A 42 5.872 -11.958 -6.799 1.00 0.34 H new ATOM 0 HB3 SER A 42 4.330 -11.641 -6.029 1.00 0.34 H new ATOM 0 HG SER A 42 5.710 -9.757 -6.750 1.00 1.08 H new ATOM 231 N LYS A 43 7.988 -12.977 -5.587 1.00 0.28 N ATOM 232 CA LYS A 43 9.431 -13.160 -5.661 1.00 0.31 C ATOM 233 C LYS A 43 10.114 -11.887 -6.142 1.00 0.26 C ATOM 234 O LYS A 43 11.187 -11.513 -5.659 1.00 0.32 O ATOM 235 CB LYS A 43 9.743 -14.300 -6.625 1.00 0.42 C ATOM 236 CG LYS A 43 8.971 -15.571 -6.326 1.00 1.02 C ATOM 237 CD LYS A 43 9.029 -16.537 -7.491 1.00 1.41 C ATOM 238 CE LYS A 43 8.311 -17.835 -7.167 1.00 2.09 C ATOM 239 NZ LYS A 43 8.973 -18.573 -6.059 1.00 2.95 N ATOM 0 H LYS A 43 7.472 -13.440 -6.335 1.00 0.28 H new ATOM 0 HA LYS A 43 9.806 -13.398 -4.665 1.00 0.31 H new ATOM 0 HB2 LYS A 43 9.518 -13.978 -7.642 1.00 0.42 H new ATOM 0 HB3 LYS A 43 10.811 -14.515 -6.588 1.00 0.42 H new ATOM 0 HG2 LYS A 43 9.381 -16.047 -5.435 1.00 1.02 H new ATOM 0 HG3 LYS A 43 7.932 -15.325 -6.106 1.00 1.02 H new ATOM 0 HD2 LYS A 43 8.576 -16.078 -8.370 1.00 1.41 H new ATOM 0 HD3 LYS A 43 10.069 -16.747 -7.741 1.00 1.41 H new ATOM 0 HE2 LYS A 43 7.278 -17.620 -6.894 1.00 2.09 H new ATOM 0 HE3 LYS A 43 8.281 -18.465 -8.056 1.00 2.09 H new ATOM 0 HZ1 LYS A 43 8.621 -19.551 -6.034 1.00 2.95 H new ATOM 0 HZ2 LYS A 43 10.002 -18.579 -6.212 1.00 2.95 H new ATOM 0 HZ3 LYS A 43 8.760 -18.106 -5.155 1.00 2.95 H new ATOM 253 N ASP A 44 9.465 -11.215 -7.083 1.00 0.23 N ATOM 254 CA ASP A 44 10.030 -10.037 -7.728 1.00 0.21 C ATOM 255 C ASP A 44 10.109 -8.864 -6.752 1.00 0.17 C ATOM 256 O ASP A 44 10.839 -7.897 -6.979 1.00 0.18 O ATOM 257 CB ASP A 44 9.173 -9.654 -8.936 1.00 0.25 C ATOM 258 CG ASP A 44 9.990 -9.255 -10.146 1.00 0.39 C ATOM 259 OD1 ASP A 44 11.228 -9.127 -10.013 1.00 0.44 O ATOM 260 OD2 ASP A 44 9.409 -9.068 -11.233 1.00 0.97 O ATOM 0 H ASP A 44 8.536 -11.469 -7.420 1.00 0.23 H new ATOM 0 HA ASP A 44 11.042 -10.274 -8.057 1.00 0.21 H new ATOM 0 HB2 ASP A 44 8.532 -10.495 -9.200 1.00 0.25 H new ATOM 0 HB3 ASP A 44 8.517 -8.828 -8.660 1.00 0.25 H new ATOM 265 N TYR A 45 9.352 -8.954 -5.665 1.00 0.15 N ATOM 266 CA TYR A 45 9.306 -7.885 -4.678 1.00 0.13 C ATOM 267 C TYR A 45 10.060 -8.257 -3.410 1.00 0.15 C ATOM 268 O TYR A 45 10.153 -7.456 -2.494 1.00 0.15 O ATOM 269 CB TYR A 45 7.858 -7.521 -4.332 1.00 0.12 C ATOM 270 CG TYR A 45 7.102 -6.877 -5.470 1.00 0.15 C ATOM 271 CD1 TYR A 45 6.776 -7.600 -6.608 1.00 0.23 C ATOM 272 CD2 TYR A 45 6.711 -5.549 -5.401 1.00 0.21 C ATOM 273 CE1 TYR A 45 6.082 -7.008 -7.647 1.00 0.29 C ATOM 274 CE2 TYR A 45 6.020 -4.952 -6.430 1.00 0.25 C ATOM 275 CZ TYR A 45 5.721 -5.706 -7.571 1.00 0.27 C ATOM 276 OH TYR A 45 5.016 -5.086 -8.571 1.00 0.35 O ATOM 0 H TYR A 45 8.762 -9.757 -5.446 1.00 0.15 H new ATOM 0 HA TYR A 45 9.794 -7.018 -5.124 1.00 0.13 H new ATOM 0 HB2 TYR A 45 7.331 -8.423 -4.023 1.00 0.12 H new ATOM 0 HB3 TYR A 45 7.858 -6.843 -3.478 1.00 0.12 H new ATOM 0 HD1 TYR A 45 7.068 -8.637 -6.683 1.00 0.23 H new ATOM 0 HD2 TYR A 45 6.954 -4.971 -4.521 1.00 0.21 H new ATOM 0 HE1 TYR A 45 5.827 -7.587 -8.522 1.00 0.29 H new ATOM 0 HE2 TYR A 45 5.713 -3.919 -6.359 1.00 0.25 H new ATOM 0 HH TYR A 45 4.447 -5.742 -9.025 1.00 0.35 H new ATOM 286 N PHE A 46 10.633 -9.454 -3.356 1.00 0.19 N ATOM 287 CA PHE A 46 11.387 -9.868 -2.169 1.00 0.23 C ATOM 288 C PHE A 46 12.559 -8.927 -1.894 1.00 0.22 C ATOM 289 O PHE A 46 13.144 -8.942 -0.809 1.00 0.26 O ATOM 290 CB PHE A 46 11.896 -11.302 -2.303 1.00 0.28 C ATOM 291 CG PHE A 46 10.886 -12.346 -1.915 1.00 0.36 C ATOM 292 CD1 PHE A 46 10.066 -12.158 -0.814 1.00 0.68 C ATOM 293 CD2 PHE A 46 10.769 -13.521 -2.639 1.00 0.68 C ATOM 294 CE1 PHE A 46 9.147 -13.121 -0.445 1.00 0.74 C ATOM 295 CE2 PHE A 46 9.851 -14.487 -2.276 1.00 0.76 C ATOM 296 CZ PHE A 46 9.038 -14.287 -1.178 1.00 0.57 C ATOM 0 H PHE A 46 10.594 -10.147 -4.103 1.00 0.19 H new ATOM 0 HA PHE A 46 10.698 -9.820 -1.326 1.00 0.23 H new ATOM 0 HB2 PHE A 46 12.203 -11.473 -3.335 1.00 0.28 H new ATOM 0 HB3 PHE A 46 12.784 -11.421 -1.682 1.00 0.28 H new ATOM 0 HD1 PHE A 46 10.146 -11.248 -0.238 1.00 0.68 H new ATOM 0 HD2 PHE A 46 11.403 -13.684 -3.498 1.00 0.68 H new ATOM 0 HE1 PHE A 46 8.514 -12.963 0.416 1.00 0.74 H new ATOM 0 HE2 PHE A 46 9.769 -15.398 -2.850 1.00 0.76 H new ATOM 0 HZ PHE A 46 8.319 -15.040 -0.893 1.00 0.57 H new ATOM 306 N SER A 47 12.884 -8.091 -2.871 1.00 0.19 N ATOM 307 CA SER A 47 13.992 -7.182 -2.752 1.00 0.23 C ATOM 308 C SER A 47 13.583 -5.869 -2.083 1.00 0.17 C ATOM 309 O SER A 47 14.434 -5.029 -1.832 1.00 0.20 O ATOM 310 CB SER A 47 14.558 -6.910 -4.140 1.00 0.31 C ATOM 311 OG SER A 47 14.913 -8.122 -4.782 1.00 1.19 O ATOM 0 H SER A 47 12.385 -8.032 -3.758 1.00 0.19 H new ATOM 0 HA SER A 47 14.750 -7.643 -2.119 1.00 0.23 H new ATOM 0 HB2 SER A 47 13.821 -6.377 -4.741 1.00 0.31 H new ATOM 0 HB3 SER A 47 15.433 -6.264 -4.061 1.00 0.31 H new ATOM 0 HG SER A 47 15.273 -7.927 -5.673 1.00 1.19 H new ATOM 317 N ILE A 48 12.289 -5.691 -1.787 1.00 0.17 N ATOM 318 CA ILE A 48 11.812 -4.443 -1.182 1.00 0.15 C ATOM 319 C ILE A 48 12.601 -4.130 0.099 1.00 0.17 C ATOM 320 O ILE A 48 12.922 -5.037 0.872 1.00 0.20 O ATOM 321 CB ILE A 48 10.279 -4.476 -0.898 1.00 0.17 C ATOM 322 CG1 ILE A 48 9.498 -4.701 -2.197 1.00 0.18 C ATOM 323 CG2 ILE A 48 9.810 -3.190 -0.239 1.00 0.18 C ATOM 324 CD1 ILE A 48 8.288 -3.802 -2.365 1.00 0.21 C ATOM 0 H ILE A 48 11.562 -6.387 -1.954 1.00 0.17 H new ATOM 0 HA ILE A 48 11.985 -3.644 -1.903 1.00 0.15 H new ATOM 0 HB ILE A 48 10.090 -5.303 -0.214 1.00 0.17 H new ATOM 0 HG12 ILE A 48 10.170 -4.547 -3.042 1.00 0.18 H new ATOM 0 HG13 ILE A 48 9.171 -5.740 -2.235 1.00 0.18 H new ATOM 0 HG21 ILE A 48 8.737 -3.246 -0.055 1.00 0.18 H new ATOM 0 HG22 ILE A 48 10.334 -3.054 0.707 1.00 0.18 H new ATOM 0 HG23 ILE A 48 10.022 -2.346 -0.896 1.00 0.18 H new ATOM 0 HD11 ILE A 48 7.795 -4.029 -3.310 1.00 0.21 H new ATOM 0 HD12 ILE A 48 7.592 -3.971 -1.543 1.00 0.21 H new ATOM 0 HD13 ILE A 48 8.606 -2.759 -2.363 1.00 0.21 H new ATOM 336 N PRO A 49 12.962 -2.841 0.288 1.00 0.16 N ATOM 337 CA PRO A 49 13.876 -2.352 1.340 1.00 0.19 C ATOM 338 C PRO A 49 13.636 -2.823 2.770 1.00 0.15 C ATOM 339 O PRO A 49 12.714 -3.582 3.066 1.00 0.21 O ATOM 340 CB PRO A 49 13.688 -0.832 1.316 1.00 0.26 C ATOM 341 CG PRO A 49 12.535 -0.593 0.427 1.00 0.17 C ATOM 342 CD PRO A 49 12.531 -1.719 -0.551 1.00 0.16 C ATOM 0 HA PRO A 49 14.868 -2.741 1.108 1.00 0.19 H new ATOM 0 HB2 PRO A 49 13.499 -0.444 2.317 1.00 0.26 H new ATOM 0 HB3 PRO A 49 14.582 -0.332 0.943 1.00 0.26 H new ATOM 0 HG2 PRO A 49 11.604 -0.565 0.994 1.00 0.17 H new ATOM 0 HG3 PRO A 49 12.627 0.366 -0.082 1.00 0.17 H new ATOM 0 HD2 PRO A 49 11.543 -1.885 -0.981 1.00 0.16 H new ATOM 0 HD3 PRO A 49 13.214 -1.543 -1.382 1.00 0.16 H new ATOM 350 N ASN A 50 14.506 -2.310 3.642 1.00 0.17 N ATOM 351 CA ASN A 50 14.480 -2.547 5.081 1.00 0.22 C ATOM 352 C ASN A 50 13.058 -2.632 5.630 1.00 0.22 C ATOM 353 O ASN A 50 12.678 -3.645 6.222 1.00 0.34 O ATOM 354 CB ASN A 50 15.242 -1.412 5.786 1.00 0.35 C ATOM 355 CG ASN A 50 15.288 -1.572 7.299 1.00 0.58 C ATOM 356 OD1 ASN A 50 14.409 -1.087 8.015 1.00 1.23 O ATOM 357 ND2 ASN A 50 16.312 -2.249 7.797 1.00 0.83 N ATOM 0 H ASN A 50 15.271 -1.700 3.354 1.00 0.17 H new ATOM 0 HA ASN A 50 14.956 -3.509 5.273 1.00 0.22 H new ATOM 0 HB2 ASN A 50 16.261 -1.372 5.400 1.00 0.35 H new ATOM 0 HB3 ASN A 50 14.771 -0.460 5.542 1.00 0.35 H new ATOM 0 HD21 ASN A 50 16.393 -2.384 8.805 1.00 0.83 H new ATOM 0 HD22 ASN A 50 17.020 -2.636 7.173 1.00 0.83 H new ATOM 364 N ASP A 51 12.270 -1.586 5.388 1.00 0.24 N ATOM 365 CA ASP A 51 10.942 -1.464 5.989 1.00 0.34 C ATOM 366 C ASP A 51 10.278 -0.167 5.548 1.00 0.27 C ATOM 367 O ASP A 51 10.695 0.923 5.943 1.00 0.36 O ATOM 368 CB ASP A 51 11.039 -1.507 7.520 1.00 0.51 C ATOM 369 CG ASP A 51 9.700 -1.327 8.208 1.00 1.20 C ATOM 370 OD1 ASP A 51 8.769 -2.105 7.911 1.00 1.90 O ATOM 371 OD2 ASP A 51 9.561 -0.389 9.023 1.00 1.23 O ATOM 0 H ASP A 51 12.528 -0.809 4.779 1.00 0.24 H new ATOM 0 HA ASP A 51 10.335 -2.304 5.652 1.00 0.34 H new ATOM 0 HB2 ASP A 51 11.471 -2.461 7.824 1.00 0.51 H new ATOM 0 HB3 ASP A 51 11.721 -0.726 7.857 1.00 0.51 H new ATOM 376 N LEU A 52 9.271 -0.290 4.703 1.00 0.22 N ATOM 377 CA LEU A 52 8.527 0.867 4.225 1.00 0.17 C ATOM 378 C LEU A 52 7.216 1.003 4.981 1.00 0.19 C ATOM 379 O LEU A 52 6.512 0.018 5.215 1.00 0.25 O ATOM 380 CB LEU A 52 8.241 0.751 2.728 1.00 0.18 C ATOM 381 CG LEU A 52 9.473 0.594 1.840 1.00 0.14 C ATOM 382 CD1 LEU A 52 9.057 0.262 0.418 1.00 0.17 C ATOM 383 CD2 LEU A 52 10.325 1.856 1.861 1.00 0.15 C ATOM 0 H LEU A 52 8.946 -1.182 4.331 1.00 0.22 H new ATOM 0 HA LEU A 52 9.138 1.753 4.399 1.00 0.17 H new ATOM 0 HB2 LEU A 52 7.584 -0.104 2.565 1.00 0.18 H new ATOM 0 HB3 LEU A 52 7.694 1.638 2.409 1.00 0.18 H new ATOM 0 HG LEU A 52 10.073 -0.227 2.233 1.00 0.14 H new ATOM 0 HD11 LEU A 52 9.945 0.153 -0.205 1.00 0.17 H new ATOM 0 HD12 LEU A 52 8.493 -0.671 0.412 1.00 0.17 H new ATOM 0 HD13 LEU A 52 8.434 1.065 0.024 1.00 0.17 H new ATOM 0 HD21 LEU A 52 11.196 1.718 1.221 1.00 0.15 H new ATOM 0 HD22 LEU A 52 9.737 2.698 1.497 1.00 0.15 H new ATOM 0 HD23 LEU A 52 10.653 2.057 2.881 1.00 0.15 H new ATOM 395 N LEU A 53 6.893 2.226 5.352 1.00 0.16 N ATOM 396 CA LEU A 53 5.654 2.512 6.056 1.00 0.18 C ATOM 397 C LEU A 53 4.634 3.129 5.114 1.00 0.17 C ATOM 398 O LEU A 53 4.852 4.199 4.549 1.00 0.17 O ATOM 399 CB LEU A 53 5.896 3.451 7.238 1.00 0.21 C ATOM 400 CG LEU A 53 6.702 2.857 8.391 1.00 0.26 C ATOM 401 CD1 LEU A 53 6.929 3.900 9.473 1.00 0.32 C ATOM 402 CD2 LEU A 53 5.989 1.643 8.963 1.00 0.30 C ATOM 0 H LEU A 53 7.475 3.045 5.177 1.00 0.16 H new ATOM 0 HA LEU A 53 5.265 1.567 6.436 1.00 0.18 H new ATOM 0 HB2 LEU A 53 6.413 4.339 6.875 1.00 0.21 H new ATOM 0 HB3 LEU A 53 4.931 3.779 7.623 1.00 0.21 H new ATOM 0 HG LEU A 53 7.673 2.541 8.009 1.00 0.26 H new ATOM 0 HD11 LEU A 53 7.505 3.460 10.287 1.00 0.32 H new ATOM 0 HD12 LEU A 53 7.478 4.744 9.055 1.00 0.32 H new ATOM 0 HD13 LEU A 53 5.968 4.245 9.854 1.00 0.32 H new ATOM 0 HD21 LEU A 53 6.575 1.230 9.784 1.00 0.30 H new ATOM 0 HD22 LEU A 53 5.006 1.938 9.331 1.00 0.30 H new ATOM 0 HD23 LEU A 53 5.873 0.889 8.185 1.00 0.30 H new ATOM 414 N TRP A 54 3.530 2.438 4.948 1.00 0.18 N ATOM 415 CA TRP A 54 2.436 2.917 4.128 1.00 0.20 C ATOM 416 C TRP A 54 1.318 3.427 5.022 1.00 0.23 C ATOM 417 O TRP A 54 0.891 2.736 5.944 1.00 0.28 O ATOM 418 CB TRP A 54 1.921 1.773 3.242 1.00 0.22 C ATOM 419 CG TRP A 54 0.813 2.150 2.298 1.00 0.24 C ATOM 420 CD1 TRP A 54 -0.367 2.768 2.607 1.00 0.35 C ATOM 421 CD2 TRP A 54 0.765 1.893 0.890 1.00 0.24 C ATOM 422 NE1 TRP A 54 -1.124 2.934 1.479 1.00 0.35 N ATOM 423 CE2 TRP A 54 -0.459 2.398 0.416 1.00 0.26 C ATOM 424 CE3 TRP A 54 1.638 1.290 -0.019 1.00 0.34 C ATOM 425 CZ2 TRP A 54 -0.829 2.321 -0.919 1.00 0.27 C ATOM 426 CZ3 TRP A 54 1.264 1.214 -1.346 1.00 0.41 C ATOM 427 CH2 TRP A 54 0.039 1.726 -1.782 1.00 0.35 C ATOM 0 H TRP A 54 3.363 1.528 5.377 1.00 0.18 H new ATOM 0 HA TRP A 54 2.784 3.731 3.492 1.00 0.20 H new ATOM 0 HB2 TRP A 54 2.755 1.380 2.661 1.00 0.22 H new ATOM 0 HB3 TRP A 54 1.571 0.965 3.885 1.00 0.22 H new ATOM 0 HD1 TRP A 54 -0.660 3.080 3.599 1.00 0.35 H new ATOM 0 HE1 TRP A 54 -2.038 3.386 1.440 1.00 0.35 H new ATOM 0 HE3 TRP A 54 2.586 0.891 0.310 1.00 0.34 H new ATOM 0 HZ2 TRP A 54 -1.773 2.719 -1.261 1.00 0.27 H new ATOM 0 HZ3 TRP A 54 1.930 0.751 -2.059 1.00 0.41 H new ATOM 0 HH2 TRP A 54 -0.225 1.648 -2.826 1.00 0.35 H new ATOM 438 N SER A 55 0.847 4.631 4.762 1.00 0.26 N ATOM 439 CA SER A 55 -0.329 5.125 5.439 1.00 0.33 C ATOM 440 C SER A 55 -1.240 5.807 4.435 1.00 0.25 C ATOM 441 O SER A 55 -0.854 6.802 3.818 1.00 0.22 O ATOM 442 CB SER A 55 0.066 6.089 6.565 1.00 0.44 C ATOM 443 OG SER A 55 0.882 7.143 6.081 1.00 1.11 O ATOM 0 H SER A 55 1.259 5.279 4.091 1.00 0.26 H new ATOM 0 HA SER A 55 -0.865 4.289 5.889 1.00 0.33 H new ATOM 0 HB2 SER A 55 -0.832 6.503 7.023 1.00 0.44 H new ATOM 0 HB3 SER A 55 0.598 5.543 7.344 1.00 0.44 H new ATOM 0 HG SER A 55 0.605 7.380 5.171 1.00 1.11 H new ATOM 449 N PHE A 56 -2.427 5.251 4.218 1.00 0.30 N ATOM 450 CA PHE A 56 -3.404 5.946 3.402 1.00 0.28 C ATOM 451 C PHE A 56 -3.900 7.111 4.221 1.00 0.27 C ATOM 452 O PHE A 56 -4.523 6.902 5.258 1.00 0.39 O ATOM 453 CB PHE A 56 -4.624 5.073 3.071 1.00 0.40 C ATOM 454 CG PHE A 56 -4.340 3.678 2.590 1.00 0.30 C ATOM 455 CD1 PHE A 56 -3.917 2.703 3.473 1.00 0.29 C ATOM 456 CD2 PHE A 56 -4.454 3.355 1.250 1.00 0.34 C ATOM 457 CE1 PHE A 56 -3.616 1.429 3.028 1.00 0.30 C ATOM 458 CE2 PHE A 56 -4.160 2.080 0.800 1.00 0.34 C ATOM 459 CZ PHE A 56 -3.892 1.079 1.714 1.00 0.27 C ATOM 0 H PHE A 56 -2.726 4.348 4.585 1.00 0.30 H new ATOM 0 HA PHE A 56 -2.930 6.236 2.464 1.00 0.28 H new ATOM 0 HB2 PHE A 56 -5.247 5.006 3.963 1.00 0.40 H new ATOM 0 HB3 PHE A 56 -5.212 5.584 2.308 1.00 0.40 H new ATOM 0 HD1 PHE A 56 -3.820 2.939 4.523 1.00 0.29 H new ATOM 0 HD2 PHE A 56 -4.777 4.108 0.546 1.00 0.34 H new ATOM 0 HE1 PHE A 56 -3.169 0.711 3.699 1.00 0.30 H new ATOM 0 HE2 PHE A 56 -4.140 1.869 -0.259 1.00 0.34 H new ATOM 0 HZ PHE A 56 -3.897 0.042 1.411 1.00 0.27 H new ATOM 469 N ASN A 57 -3.677 8.320 3.764 1.00 0.24 N ATOM 470 CA ASN A 57 -4.154 9.471 4.497 1.00 0.31 C ATOM 471 C ASN A 57 -5.521 9.831 3.978 1.00 0.33 C ATOM 472 O ASN A 57 -5.652 10.558 3.012 1.00 0.41 O ATOM 473 CB ASN A 57 -3.199 10.659 4.343 1.00 0.45 C ATOM 474 CG ASN A 57 -1.772 10.306 4.697 1.00 1.09 C ATOM 475 OD1 ASN A 57 -1.002 9.882 3.838 1.00 2.12 O ATOM 476 ND2 ASN A 57 -1.408 10.474 5.959 1.00 1.16 N ATOM 0 H ASN A 57 -3.176 8.532 2.901 1.00 0.24 H new ATOM 0 HA ASN A 57 -4.205 9.228 5.558 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -3.236 11.020 3.315 1.00 0.45 H new ATOM 0 HB3 ASN A 57 -3.536 11.477 4.980 1.00 0.45 H new ATOM 0 HD21 ASN A 57 -0.457 10.249 6.250 1.00 1.16 H new ATOM 0 HD22 ASN A 57 -2.079 10.829 6.640 1.00 1.16 H new ATOM 483 N THR A 58 -6.534 9.334 4.645 1.00 0.34 N ATOM 484 CA THR A 58 -7.902 9.515 4.208 1.00 0.40 C ATOM 485 C THR A 58 -8.461 10.832 4.730 1.00 0.48 C ATOM 486 O THR A 58 -9.603 11.195 4.464 1.00 0.61 O ATOM 487 CB THR A 58 -8.752 8.337 4.707 1.00 0.40 C ATOM 488 OG1 THR A 58 -8.499 8.121 6.101 1.00 0.43 O ATOM 489 CG2 THR A 58 -8.426 7.068 3.930 1.00 0.48 C ATOM 0 H THR A 58 -6.437 8.793 5.504 1.00 0.34 H new ATOM 0 HA THR A 58 -7.930 9.546 3.119 1.00 0.40 H new ATOM 0 HB THR A 58 -9.804 8.579 4.554 1.00 0.40 H new ATOM 0 HG1 THR A 58 -9.043 7.370 6.420 1.00 0.43 H new ATOM 0 HG21 THR A 58 -9.040 6.247 4.300 1.00 0.48 H new ATOM 0 HG22 THR A 58 -8.632 7.226 2.871 1.00 0.48 H new ATOM 0 HG23 THR A 58 -7.372 6.821 4.061 1.00 0.48 H new ATOM 497 N THR A 59 -7.628 11.549 5.466 1.00 0.50 N ATOM 498 CA THR A 59 -7.994 12.827 6.020 1.00 0.63 C ATOM 499 C THR A 59 -7.911 13.914 4.946 1.00 0.67 C ATOM 500 O THR A 59 -8.752 14.810 4.880 1.00 0.77 O ATOM 501 CB THR A 59 -7.064 13.155 7.198 1.00 0.74 C ATOM 502 OG1 THR A 59 -7.214 12.176 8.235 1.00 0.86 O ATOM 503 CG2 THR A 59 -7.335 14.537 7.747 1.00 0.90 C ATOM 0 H THR A 59 -6.678 11.254 5.692 1.00 0.50 H new ATOM 0 HA THR A 59 -9.022 12.786 6.380 1.00 0.63 H new ATOM 0 HB THR A 59 -6.038 13.134 6.829 1.00 0.74 H new ATOM 0 HG1 THR A 59 -6.615 12.394 8.980 1.00 0.86 H new ATOM 0 HG21 THR A 59 -6.660 14.737 8.579 1.00 0.90 H new ATOM 0 HG22 THR A 59 -7.174 15.278 6.964 1.00 0.90 H new ATOM 0 HG23 THR A 59 -8.366 14.595 8.095 1.00 0.90 H new ATOM 511 N ASN A 60 -6.899 13.808 4.094 1.00 0.65 N ATOM 512 CA ASN A 60 -6.741 14.711 2.957 1.00 0.74 C ATOM 513 C ASN A 60 -6.768 13.917 1.658 1.00 0.72 C ATOM 514 O ASN A 60 -6.572 14.454 0.566 1.00 0.84 O ATOM 515 CB ASN A 60 -5.433 15.509 3.071 1.00 0.86 C ATOM 516 CG ASN A 60 -4.224 14.636 3.376 1.00 1.17 C ATOM 517 OD1 ASN A 60 -4.172 13.465 3.008 1.00 1.99 O ATOM 518 ND2 ASN A 60 -3.245 15.204 4.065 1.00 1.69 N ATOM 0 H ASN A 60 -6.169 13.100 4.169 1.00 0.65 H new ATOM 0 HA ASN A 60 -7.569 15.419 2.957 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -5.260 16.046 2.138 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -5.539 16.259 3.855 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -2.413 14.666 4.307 1.00 1.69 H new ATOM 0 HD22 ASN A 60 -3.324 16.179 4.354 1.00 1.69 H new ATOM 525 N LYS A 61 -7.058 12.629 1.824 1.00 0.64 N ATOM 526 CA LYS A 61 -7.037 11.635 0.758 1.00 0.66 C ATOM 527 C LYS A 61 -5.738 11.673 -0.049 1.00 0.65 C ATOM 528 O LYS A 61 -5.725 11.991 -1.238 1.00 0.94 O ATOM 529 CB LYS A 61 -8.266 11.742 -0.142 1.00 0.84 C ATOM 530 CG LYS A 61 -9.564 11.387 0.571 1.00 0.96 C ATOM 531 CD LYS A 61 -10.176 12.562 1.305 1.00 0.99 C ATOM 532 CE LYS A 61 -10.802 13.554 0.345 1.00 1.06 C ATOM 533 NZ LYS A 61 -11.715 14.487 1.051 1.00 1.65 N ATOM 0 H LYS A 61 -7.321 12.239 2.729 1.00 0.64 H new ATOM 0 HA LYS A 61 -7.075 10.659 1.242 1.00 0.66 H new ATOM 0 HB2 LYS A 61 -8.338 12.759 -0.529 1.00 0.84 H new ATOM 0 HB3 LYS A 61 -8.138 11.083 -1.000 1.00 0.84 H new ATOM 0 HG2 LYS A 61 -10.280 11.008 -0.158 1.00 0.96 H new ATOM 0 HG3 LYS A 61 -9.374 10.581 1.280 1.00 0.96 H new ATOM 0 HD2 LYS A 61 -10.933 12.202 2.002 1.00 0.99 H new ATOM 0 HD3 LYS A 61 -9.409 13.062 1.897 1.00 0.99 H new ATOM 0 HE2 LYS A 61 -10.018 14.120 -0.158 1.00 1.06 H new ATOM 0 HE3 LYS A 61 -11.353 13.017 -0.427 1.00 1.06 H new ATOM 0 HZ1 LYS A 61 -12.127 15.153 0.367 1.00 1.65 H new ATOM 0 HZ2 LYS A 61 -12.476 13.947 1.510 1.00 1.65 H new ATOM 0 HZ3 LYS A 61 -11.182 15.016 1.771 1.00 1.65 H new ATOM 547 N SER A 62 -4.656 11.322 0.625 1.00 0.41 N ATOM 548 CA SER A 62 -3.339 11.228 0.023 1.00 0.38 C ATOM 549 C SER A 62 -2.713 9.886 0.402 1.00 0.35 C ATOM 550 O SER A 62 -3.169 9.223 1.332 1.00 0.50 O ATOM 551 CB SER A 62 -2.472 12.402 0.500 1.00 0.47 C ATOM 552 OG SER A 62 -1.118 12.277 0.091 1.00 1.28 O ATOM 0 H SER A 62 -4.669 11.092 1.619 1.00 0.41 H new ATOM 0 HA SER A 62 -3.413 11.282 -1.063 1.00 0.38 H new ATOM 0 HB2 SER A 62 -2.882 13.334 0.111 1.00 0.47 H new ATOM 0 HB3 SER A 62 -2.516 12.464 1.587 1.00 0.47 H new ATOM 0 HG SER A 62 -1.084 12.006 -0.850 1.00 1.28 H new ATOM 558 N ILE A 63 -1.700 9.470 -0.329 1.00 0.36 N ATOM 559 CA ILE A 63 -1.006 8.229 -0.024 1.00 0.33 C ATOM 560 C ILE A 63 0.427 8.524 0.370 1.00 0.35 C ATOM 561 O ILE A 63 1.269 8.805 -0.485 1.00 0.54 O ATOM 562 CB ILE A 63 -0.973 7.243 -1.213 1.00 0.34 C ATOM 563 CG1 ILE A 63 -2.336 7.141 -1.894 1.00 0.37 C ATOM 564 CG2 ILE A 63 -0.523 5.872 -0.734 1.00 0.39 C ATOM 565 CD1 ILE A 63 -2.372 6.134 -3.023 1.00 1.11 C ATOM 0 H ILE A 63 -1.336 9.971 -1.140 1.00 0.36 H new ATOM 0 HA ILE A 63 -1.561 7.765 0.791 1.00 0.33 H new ATOM 0 HB ILE A 63 -0.263 7.623 -1.947 1.00 0.34 H new ATOM 0 HG12 ILE A 63 -3.085 6.869 -1.151 1.00 0.37 H new ATOM 0 HG13 ILE A 63 -2.614 8.121 -2.282 1.00 0.37 H new ATOM 0 HG21 ILE A 63 -0.502 5.181 -1.577 1.00 0.39 H new ATOM 0 HG22 ILE A 63 0.475 5.947 -0.301 1.00 0.39 H new ATOM 0 HG23 ILE A 63 -1.219 5.503 0.020 1.00 0.39 H new ATOM 0 HD11 ILE A 63 -3.370 6.114 -3.461 1.00 1.11 H new ATOM 0 HD12 ILE A 63 -1.646 6.417 -3.786 1.00 1.11 H new ATOM 0 HD13 ILE A 63 -2.126 5.145 -2.636 1.00 1.11 H new ATOM 577 N ASN A 64 0.708 8.466 1.654 1.00 0.25 N ATOM 578 CA ASN A 64 2.056 8.697 2.130 1.00 0.25 C ATOM 579 C ASN A 64 2.764 7.391 2.413 1.00 0.21 C ATOM 580 O ASN A 64 2.456 6.694 3.382 1.00 0.24 O ATOM 581 CB ASN A 64 2.056 9.588 3.363 1.00 0.34 C ATOM 582 CG ASN A 64 2.032 11.064 2.997 1.00 0.57 C ATOM 583 OD1 ASN A 64 3.073 11.720 2.957 1.00 1.22 O ATOM 584 ND2 ASN A 64 0.851 11.596 2.713 1.00 0.53 N ATOM 0 H ASN A 64 0.026 8.262 2.384 1.00 0.25 H new ATOM 0 HA ASN A 64 2.602 9.213 1.340 1.00 0.25 H new ATOM 0 HB2 ASN A 64 1.189 9.353 3.980 1.00 0.34 H new ATOM 0 HB3 ASN A 64 2.941 9.377 3.963 1.00 0.34 H new ATOM 0 HD21 ASN A 64 0.784 12.579 2.451 1.00 0.53 H new ATOM 0 HD22 ASN A 64 0.009 11.022 2.757 1.00 0.53 H new ATOM 591 N VAL A 65 3.689 7.051 1.534 1.00 0.20 N ATOM 592 CA VAL A 65 4.518 5.877 1.713 1.00 0.18 C ATOM 593 C VAL A 65 5.928 6.317 2.066 1.00 0.20 C ATOM 594 O VAL A 65 6.640 6.861 1.229 1.00 0.25 O ATOM 595 CB VAL A 65 4.576 5.015 0.441 1.00 0.18 C ATOM 596 CG1 VAL A 65 5.221 3.674 0.743 1.00 0.18 C ATOM 597 CG2 VAL A 65 3.194 4.837 -0.167 1.00 0.19 C ATOM 0 H VAL A 65 3.885 7.578 0.683 1.00 0.20 H new ATOM 0 HA VAL A 65 4.080 5.277 2.511 1.00 0.18 H new ATOM 0 HB VAL A 65 5.190 5.532 -0.296 1.00 0.18 H new ATOM 0 HG11 VAL A 65 5.256 3.074 -0.166 1.00 0.18 H new ATOM 0 HG12 VAL A 65 6.234 3.833 1.112 1.00 0.18 H new ATOM 0 HG13 VAL A 65 4.637 3.152 1.500 1.00 0.18 H new ATOM 0 HG21 VAL A 65 3.268 4.223 -1.065 1.00 0.19 H new ATOM 0 HG22 VAL A 65 2.539 4.348 0.554 1.00 0.19 H new ATOM 0 HG23 VAL A 65 2.783 5.812 -0.427 1.00 0.19 H new ATOM 607 N TYR A 66 6.333 6.079 3.292 1.00 0.19 N ATOM 608 CA TYR A 66 7.585 6.627 3.784 1.00 0.21 C ATOM 609 C TYR A 66 8.364 5.608 4.593 1.00 0.21 C ATOM 610 O TYR A 66 7.828 4.603 5.029 1.00 0.24 O ATOM 611 CB TYR A 66 7.323 7.882 4.628 1.00 0.27 C ATOM 612 CG TYR A 66 6.308 7.685 5.735 1.00 0.31 C ATOM 613 CD1 TYR A 66 6.703 7.269 6.999 1.00 0.40 C ATOM 614 CD2 TYR A 66 4.956 7.921 5.514 1.00 0.33 C ATOM 615 CE1 TYR A 66 5.780 7.090 8.013 1.00 0.50 C ATOM 616 CE2 TYR A 66 4.026 7.745 6.523 1.00 0.43 C ATOM 617 CZ TYR A 66 4.443 7.329 7.769 1.00 0.51 C ATOM 618 OH TYR A 66 3.521 7.149 8.774 1.00 0.63 O ATOM 0 H TYR A 66 5.820 5.513 3.968 1.00 0.19 H new ATOM 0 HA TYR A 66 8.189 6.897 2.918 1.00 0.21 H new ATOM 0 HB2 TYR A 66 8.264 8.213 5.068 1.00 0.27 H new ATOM 0 HB3 TYR A 66 6.978 8.682 3.972 1.00 0.27 H new ATOM 0 HD1 TYR A 66 7.749 7.082 7.194 1.00 0.40 H new ATOM 0 HD2 TYR A 66 4.626 8.247 4.539 1.00 0.33 H new ATOM 0 HE1 TYR A 66 6.104 6.765 8.991 1.00 0.50 H new ATOM 0 HE2 TYR A 66 2.979 7.933 6.335 1.00 0.43 H new ATOM 0 HH TYR A 66 2.625 7.361 8.438 1.00 0.63 H new ATOM 628 N SER A 67 9.634 5.877 4.764 1.00 0.21 N ATOM 629 CA SER A 67 10.505 5.061 5.576 1.00 0.24 C ATOM 630 C SER A 67 11.621 5.931 6.120 1.00 0.28 C ATOM 631 O SER A 67 11.556 7.159 6.013 1.00 0.30 O ATOM 632 CB SER A 67 11.081 3.889 4.770 1.00 0.26 C ATOM 633 OG SER A 67 11.991 4.327 3.769 1.00 0.29 O ATOM 0 H SER A 67 10.099 6.679 4.338 1.00 0.21 H new ATOM 0 HA SER A 67 9.931 4.637 6.400 1.00 0.24 H new ATOM 0 HB2 SER A 67 11.589 3.200 5.445 1.00 0.26 H new ATOM 0 HB3 SER A 67 10.267 3.336 4.302 1.00 0.26 H new ATOM 0 HG SER A 67 12.251 3.567 3.208 1.00 0.29 H new ATOM 639 N LYS A 68 12.611 5.302 6.732 1.00 0.33 N ATOM 640 CA LYS A 68 13.816 5.995 7.179 1.00 0.38 C ATOM 641 C LYS A 68 14.359 6.908 6.079 1.00 0.36 C ATOM 642 O LYS A 68 14.863 7.998 6.344 1.00 0.42 O ATOM 643 CB LYS A 68 14.907 4.990 7.553 1.00 0.47 C ATOM 644 CG LYS A 68 14.671 4.182 8.826 1.00 0.63 C ATOM 645 CD LYS A 68 13.431 3.299 8.765 1.00 1.00 C ATOM 646 CE LYS A 68 13.354 2.356 9.958 1.00 1.58 C ATOM 647 NZ LYS A 68 14.321 1.228 9.845 1.00 2.03 N ATOM 0 H LYS A 68 12.606 4.302 6.934 1.00 0.33 H new ATOM 0 HA LYS A 68 13.545 6.591 8.050 1.00 0.38 H new ATOM 0 HB2 LYS A 68 15.031 4.294 6.723 1.00 0.47 H new ATOM 0 HB3 LYS A 68 15.848 5.530 7.659 1.00 0.47 H new ATOM 0 HG2 LYS A 68 15.543 3.557 9.017 1.00 0.63 H new ATOM 0 HG3 LYS A 68 14.579 4.866 9.669 1.00 0.63 H new ATOM 0 HD2 LYS A 68 12.539 3.925 8.737 1.00 1.00 H new ATOM 0 HD3 LYS A 68 13.442 2.719 7.842 1.00 1.00 H new ATOM 0 HE2 LYS A 68 13.553 2.913 10.873 1.00 1.58 H new ATOM 0 HE3 LYS A 68 12.342 1.959 10.041 1.00 1.58 H new ATOM 0 HZ1 LYS A 68 14.294 0.659 10.715 1.00 2.03 H new ATOM 0 HZ2 LYS A 68 14.064 0.631 9.033 1.00 2.03 H new ATOM 0 HZ3 LYS A 68 15.280 1.606 9.707 1.00 2.03 H new ATOM 661 N CYS A 69 14.242 6.443 4.845 1.00 0.36 N ATOM 662 CA CYS A 69 14.821 7.136 3.700 1.00 0.37 C ATOM 663 C CYS A 69 13.763 7.754 2.776 1.00 0.41 C ATOM 664 O CYS A 69 13.751 8.966 2.566 1.00 0.74 O ATOM 665 CB CYS A 69 15.687 6.162 2.918 1.00 0.38 C ATOM 666 SG CYS A 69 17.004 5.385 3.907 1.00 0.38 S ATOM 0 H CYS A 69 13.748 5.583 4.608 1.00 0.36 H new ATOM 0 HA CYS A 69 15.419 7.962 4.084 1.00 0.37 H new ATOM 0 HB2 CYS A 69 15.052 5.381 2.500 1.00 0.38 H new ATOM 0 HB3 CYS A 69 16.140 6.688 2.078 1.00 0.38 H new ATOM 671 N ILE A 70 12.882 6.927 2.219 1.00 0.25 N ATOM 672 CA ILE A 70 11.907 7.399 1.232 1.00 0.22 C ATOM 673 C ILE A 70 10.733 8.085 1.927 1.00 0.23 C ATOM 674 O ILE A 70 10.435 7.801 3.085 1.00 0.27 O ATOM 675 CB ILE A 70 11.412 6.239 0.336 1.00 0.20 C ATOM 676 CG1 ILE A 70 10.564 6.747 -0.830 1.00 0.20 C ATOM 677 CG2 ILE A 70 10.628 5.216 1.142 1.00 0.22 C ATOM 678 CD1 ILE A 70 10.449 5.740 -1.939 1.00 0.23 C ATOM 0 H ILE A 70 12.821 5.931 2.431 1.00 0.25 H new ATOM 0 HA ILE A 70 12.402 8.127 0.589 1.00 0.22 H new ATOM 0 HB ILE A 70 12.299 5.755 -0.074 1.00 0.20 H new ATOM 0 HG12 ILE A 70 9.567 6.999 -0.468 1.00 0.20 H new ATOM 0 HG13 ILE A 70 11.003 7.665 -1.221 1.00 0.20 H new ATOM 0 HG21 ILE A 70 10.294 4.413 0.484 1.00 0.22 H new ATOM 0 HG22 ILE A 70 11.265 4.803 1.924 1.00 0.22 H new ATOM 0 HG23 ILE A 70 9.762 5.697 1.596 1.00 0.22 H new ATOM 0 HD11 ILE A 70 9.837 6.151 -2.742 1.00 0.23 H new ATOM 0 HD12 ILE A 70 11.442 5.507 -2.323 1.00 0.23 H new ATOM 0 HD13 ILE A 70 9.985 4.830 -1.558 1.00 0.23 H new ATOM 690 N SER A 71 10.099 9.005 1.231 1.00 0.24 N ATOM 691 CA SER A 71 8.955 9.726 1.764 1.00 0.28 C ATOM 692 C SER A 71 8.035 10.107 0.618 1.00 0.29 C ATOM 693 O SER A 71 8.321 11.030 -0.144 1.00 0.39 O ATOM 694 CB SER A 71 9.419 10.975 2.526 1.00 0.42 C ATOM 695 OG SER A 71 8.336 11.631 3.170 1.00 1.12 O ATOM 0 H SER A 71 10.359 9.276 0.282 1.00 0.24 H new ATOM 0 HA SER A 71 8.414 9.089 2.464 1.00 0.28 H new ATOM 0 HB2 SER A 71 10.166 10.692 3.268 1.00 0.42 H new ATOM 0 HB3 SER A 71 9.902 11.665 1.834 1.00 0.42 H new ATOM 0 HG SER A 71 8.668 12.420 3.646 1.00 1.12 H new ATOM 701 N GLY A 72 6.945 9.379 0.484 1.00 0.30 N ATOM 702 CA GLY A 72 6.090 9.549 -0.659 1.00 0.42 C ATOM 703 C GLY A 72 4.790 10.223 -0.347 1.00 0.31 C ATOM 704 O GLY A 72 4.224 10.035 0.724 1.00 0.40 O ATOM 0 H GLY A 72 6.637 8.671 1.150 1.00 0.30 H new ATOM 0 HA2 GLY A 72 6.619 10.132 -1.413 1.00 0.42 H new ATOM 0 HA3 GLY A 72 5.886 8.572 -1.097 1.00 0.42 H new ATOM 708 N LYS A 73 4.344 11.026 -1.287 1.00 0.24 N ATOM 709 CA LYS A 73 3.017 11.599 -1.260 1.00 0.23 C ATOM 710 C LYS A 73 2.317 11.182 -2.540 1.00 0.21 C ATOM 711 O LYS A 73 2.973 10.951 -3.552 1.00 0.27 O ATOM 712 CB LYS A 73 3.100 13.123 -1.162 1.00 0.35 C ATOM 713 CG LYS A 73 1.770 13.827 -0.988 1.00 1.00 C ATOM 714 CD LYS A 73 1.575 14.850 -2.077 1.00 0.70 C ATOM 715 CE LYS A 73 1.305 14.158 -3.384 1.00 0.43 C ATOM 716 NZ LYS A 73 1.111 15.109 -4.509 1.00 0.64 N ATOM 0 H LYS A 73 4.897 11.302 -2.099 1.00 0.24 H new ATOM 0 HA LYS A 73 2.461 11.245 -0.392 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.744 13.383 -0.322 1.00 0.35 H new ATOM 0 HB3 LYS A 73 3.581 13.504 -2.063 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.959 13.099 -1.014 1.00 1.00 H new ATOM 0 HG3 LYS A 73 1.732 14.312 -0.013 1.00 1.00 H new ATOM 0 HD2 LYS A 73 0.744 15.508 -1.825 1.00 0.70 H new ATOM 0 HD3 LYS A 73 2.463 15.476 -2.163 1.00 0.70 H new ATOM 0 HE2 LYS A 73 2.136 13.492 -3.616 1.00 0.43 H new ATOM 0 HE3 LYS A 73 0.416 13.535 -3.283 1.00 0.43 H new ATOM 0 HZ1 LYS A 73 0.928 14.578 -5.385 1.00 0.64 H new ATOM 0 HZ2 LYS A 73 0.301 15.728 -4.304 1.00 0.64 H new ATOM 0 HZ3 LYS A 73 1.968 15.687 -4.627 1.00 0.64 H new ATOM 730 N ALA A 74 1.009 11.090 -2.502 1.00 0.21 N ATOM 731 CA ALA A 74 0.239 10.658 -3.662 1.00 0.22 C ATOM 732 C ALA A 74 -1.227 10.956 -3.452 1.00 0.26 C ATOM 733 O ALA A 74 -1.652 11.194 -2.339 1.00 0.41 O ATOM 734 CB ALA A 74 0.429 9.166 -3.904 1.00 0.23 C ATOM 0 H ALA A 74 0.446 11.308 -1.680 1.00 0.21 H new ATOM 0 HA ALA A 74 0.596 11.204 -4.535 1.00 0.22 H new ATOM 0 HB1 ALA A 74 -0.153 8.861 -4.774 1.00 0.23 H new ATOM 0 HB2 ALA A 74 1.484 8.958 -4.082 1.00 0.23 H new ATOM 0 HB3 ALA A 74 0.092 8.610 -3.029 1.00 0.23 H new ATOM 740 N VAL A 75 -1.993 10.969 -4.519 1.00 0.28 N ATOM 741 CA VAL A 75 -3.434 11.058 -4.404 1.00 0.33 C ATOM 742 C VAL A 75 -4.040 9.817 -5.026 1.00 0.29 C ATOM 743 O VAL A 75 -3.600 9.377 -6.091 1.00 0.29 O ATOM 744 CB VAL A 75 -3.996 12.318 -5.089 1.00 0.43 C ATOM 745 CG1 VAL A 75 -5.491 12.445 -4.856 1.00 0.81 C ATOM 746 CG2 VAL A 75 -3.269 13.561 -4.606 1.00 0.80 C ATOM 0 H VAL A 75 -1.644 10.919 -5.476 1.00 0.28 H new ATOM 0 HA VAL A 75 -3.694 11.129 -3.348 1.00 0.33 H new ATOM 0 HB VAL A 75 -3.831 12.220 -6.162 1.00 0.43 H new ATOM 0 HG11 VAL A 75 -5.861 13.343 -5.351 1.00 0.81 H new ATOM 0 HG12 VAL A 75 -5.998 11.571 -5.264 1.00 0.81 H new ATOM 0 HG13 VAL A 75 -5.688 12.513 -3.786 1.00 0.81 H new ATOM 0 HG21 VAL A 75 -3.681 14.440 -5.102 1.00 0.80 H new ATOM 0 HG22 VAL A 75 -3.395 13.660 -3.528 1.00 0.80 H new ATOM 0 HG23 VAL A 75 -2.208 13.476 -4.841 1.00 0.80 H new ATOM 756 N TYR A 76 -5.028 9.246 -4.367 1.00 0.29 N ATOM 757 CA TYR A 76 -5.565 7.976 -4.810 1.00 0.25 C ATOM 758 C TYR A 76 -6.893 8.133 -5.523 1.00 0.29 C ATOM 759 O TYR A 76 -7.671 9.050 -5.253 1.00 0.42 O ATOM 760 CB TYR A 76 -5.676 6.965 -3.659 1.00 0.29 C ATOM 761 CG TYR A 76 -6.469 7.407 -2.448 1.00 0.38 C ATOM 762 CD1 TYR A 76 -7.857 7.394 -2.473 1.00 0.46 C ATOM 763 CD2 TYR A 76 -5.838 7.879 -1.303 1.00 0.44 C ATOM 764 CE1 TYR A 76 -8.594 7.830 -1.391 1.00 0.57 C ATOM 765 CE2 TYR A 76 -6.569 8.323 -0.217 1.00 0.56 C ATOM 766 CZ TYR A 76 -7.902 8.140 -0.182 1.00 0.64 C ATOM 767 OH TYR A 76 -8.679 8.744 0.805 1.00 0.75 O ATOM 0 H TYR A 76 -5.470 9.635 -3.534 1.00 0.29 H new ATOM 0 HA TYR A 76 -4.852 7.578 -5.532 1.00 0.25 H new ATOM 0 HB2 TYR A 76 -6.128 6.053 -4.048 1.00 0.29 H new ATOM 0 HB3 TYR A 76 -4.668 6.708 -3.332 1.00 0.29 H new ATOM 0 HD1 TYR A 76 -8.369 7.037 -3.354 1.00 0.46 H new ATOM 0 HD2 TYR A 76 -4.759 7.899 -1.261 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -9.667 7.934 -1.457 1.00 0.57 H new ATOM 0 HE2 TYR A 76 -6.070 8.817 0.604 1.00 0.56 H new ATOM 0 HH TYR A 76 -9.399 8.135 1.072 1.00 0.75 H new ATOM 777 N SER A 77 -7.113 7.237 -6.462 1.00 0.25 N ATOM 778 CA SER A 77 -8.345 7.174 -7.220 1.00 0.29 C ATOM 779 C SER A 77 -8.684 5.712 -7.471 1.00 0.23 C ATOM 780 O SER A 77 -7.834 4.840 -7.272 1.00 0.26 O ATOM 781 CB SER A 77 -8.195 7.935 -8.529 1.00 0.39 C ATOM 782 OG SER A 77 -7.695 9.245 -8.302 1.00 0.98 O ATOM 0 H SER A 77 -6.433 6.523 -6.724 1.00 0.25 H new ATOM 0 HA SER A 77 -9.156 7.640 -6.660 1.00 0.29 H new ATOM 0 HB2 SER A 77 -7.520 7.394 -9.193 1.00 0.39 H new ATOM 0 HB3 SER A 77 -9.160 7.992 -9.033 1.00 0.39 H new ATOM 0 HG SER A 77 -7.606 9.714 -9.158 1.00 0.98 H new ATOM 788 N PHE A 78 -9.905 5.434 -7.894 1.00 0.20 N ATOM 789 CA PHE A 78 -10.354 4.057 -8.023 1.00 0.20 C ATOM 790 C PHE A 78 -10.911 3.785 -9.409 1.00 0.22 C ATOM 791 O PHE A 78 -11.540 4.653 -10.016 1.00 0.28 O ATOM 792 CB PHE A 78 -11.412 3.744 -6.963 1.00 0.24 C ATOM 793 CG PHE A 78 -10.906 3.897 -5.560 1.00 0.29 C ATOM 794 CD1 PHE A 78 -10.247 2.855 -4.932 1.00 0.36 C ATOM 795 CD2 PHE A 78 -11.088 5.084 -4.870 1.00 0.37 C ATOM 796 CE1 PHE A 78 -9.779 2.992 -3.642 1.00 0.46 C ATOM 797 CE2 PHE A 78 -10.622 5.229 -3.579 1.00 0.47 C ATOM 798 CZ PHE A 78 -9.967 4.181 -2.964 1.00 0.50 C ATOM 0 H PHE A 78 -10.599 6.136 -8.152 1.00 0.20 H new ATOM 0 HA PHE A 78 -9.491 3.409 -7.872 1.00 0.20 H new ATOM 0 HB2 PHE A 78 -12.268 4.403 -7.108 1.00 0.24 H new ATOM 0 HB3 PHE A 78 -11.768 2.724 -7.105 1.00 0.24 H new ATOM 0 HD1 PHE A 78 -10.097 1.924 -5.458 1.00 0.36 H new ATOM 0 HD2 PHE A 78 -11.601 5.906 -5.348 1.00 0.37 H new ATOM 0 HE1 PHE A 78 -9.266 2.171 -3.163 1.00 0.46 H new ATOM 0 HE2 PHE A 78 -10.769 6.160 -3.051 1.00 0.47 H new ATOM 0 HZ PHE A 78 -9.602 4.290 -1.954 1.00 0.50 H new ATOM 808 N ASN A 79 -10.654 2.586 -9.913 1.00 0.21 N ATOM 809 CA ASN A 79 -11.206 2.166 -11.192 1.00 0.23 C ATOM 810 C ASN A 79 -11.470 0.668 -11.171 1.00 0.26 C ATOM 811 O ASN A 79 -10.537 -0.129 -11.117 1.00 0.31 O ATOM 812 CB ASN A 79 -10.253 2.508 -12.335 1.00 0.31 C ATOM 813 CG ASN A 79 -10.926 2.427 -13.694 1.00 0.45 C ATOM 814 OD1 ASN A 79 -12.118 2.706 -13.825 1.00 0.77 O ATOM 815 ND2 ASN A 79 -10.174 2.039 -14.712 1.00 0.59 N ATOM 0 H ASN A 79 -10.067 1.888 -9.456 1.00 0.21 H new ATOM 0 HA ASN A 79 -12.143 2.699 -11.355 1.00 0.23 H new ATOM 0 HB2 ASN A 79 -9.859 3.513 -12.187 1.00 0.31 H new ATOM 0 HB3 ASN A 79 -9.403 1.826 -12.312 1.00 0.31 H new ATOM 0 HD21 ASN A 79 -10.579 1.963 -15.645 1.00 0.59 H new ATOM 0 HD22 ASN A 79 -9.190 1.816 -14.563 1.00 0.59 H new ATOM 822 N ALA A 80 -12.747 0.298 -11.177 1.00 0.28 N ATOM 823 CA ALA A 80 -13.162 -1.105 -11.196 1.00 0.38 C ATOM 824 C ALA A 80 -12.663 -1.859 -9.964 1.00 0.46 C ATOM 825 O ALA A 80 -12.263 -3.023 -10.052 1.00 0.95 O ATOM 826 CB ALA A 80 -12.681 -1.785 -12.471 1.00 0.45 C ATOM 0 H ALA A 80 -13.524 0.959 -11.169 1.00 0.28 H new ATOM 0 HA ALA A 80 -14.252 -1.127 -11.175 1.00 0.38 H new ATOM 0 HB1 ALA A 80 -12.998 -2.828 -12.469 1.00 0.45 H new ATOM 0 HB2 ALA A 80 -13.107 -1.278 -13.337 1.00 0.45 H new ATOM 0 HB3 ALA A 80 -11.593 -1.737 -12.521 1.00 0.45 H new ATOM 832 N GLY A 81 -12.686 -1.188 -8.819 1.00 0.24 N ATOM 833 CA GLY A 81 -12.243 -1.801 -7.582 1.00 0.21 C ATOM 834 C GLY A 81 -10.739 -1.738 -7.407 1.00 0.21 C ATOM 835 O GLY A 81 -10.202 -2.192 -6.399 1.00 0.31 O ATOM 0 H GLY A 81 -13.006 -0.224 -8.725 1.00 0.24 H new ATOM 0 HA2 GLY A 81 -12.724 -1.302 -6.741 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -12.564 -2.842 -7.561 1.00 0.21 H new ATOM 839 N LYS A 82 -10.053 -1.180 -8.389 1.00 0.19 N ATOM 840 CA LYS A 82 -8.615 -1.039 -8.320 1.00 0.20 C ATOM 841 C LYS A 82 -8.239 0.272 -7.649 1.00 0.20 C ATOM 842 O LYS A 82 -8.700 1.343 -8.052 1.00 0.26 O ATOM 843 CB LYS A 82 -8.008 -1.100 -9.715 1.00 0.23 C ATOM 844 CG LYS A 82 -8.102 -2.469 -10.357 1.00 0.26 C ATOM 845 CD LYS A 82 -7.492 -3.530 -9.460 1.00 0.23 C ATOM 846 CE LYS A 82 -7.155 -4.788 -10.235 1.00 0.41 C ATOM 847 NZ LYS A 82 -6.130 -4.533 -11.284 1.00 1.32 N ATOM 0 H LYS A 82 -10.473 -0.817 -9.245 1.00 0.19 H new ATOM 0 HA LYS A 82 -8.219 -1.863 -7.726 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.511 -0.373 -10.353 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -6.960 -0.805 -9.660 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -9.146 -2.711 -10.556 1.00 0.26 H new ATOM 0 HG3 LYS A 82 -7.588 -2.460 -11.318 1.00 0.26 H new ATOM 0 HD2 LYS A 82 -6.589 -3.137 -8.992 1.00 0.23 H new ATOM 0 HD3 LYS A 82 -8.188 -3.772 -8.657 1.00 0.23 H new ATOM 0 HE2 LYS A 82 -6.790 -5.551 -9.548 1.00 0.41 H new ATOM 0 HE3 LYS A 82 -8.059 -5.183 -10.699 1.00 0.41 H new ATOM 0 HZ1 LYS A 82 -5.646 -5.423 -11.520 1.00 1.32 H new ATOM 0 HZ2 LYS A 82 -6.591 -4.154 -12.135 1.00 1.32 H new ATOM 0 HZ3 LYS A 82 -5.436 -3.844 -10.931 1.00 1.32 H new ATOM 861 N PHE A 83 -7.400 0.174 -6.636 1.00 0.16 N ATOM 862 CA PHE A 83 -6.935 1.329 -5.893 1.00 0.16 C ATOM 863 C PHE A 83 -5.617 1.826 -6.475 1.00 0.16 C ATOM 864 O PHE A 83 -4.663 1.062 -6.638 1.00 0.17 O ATOM 865 CB PHE A 83 -6.809 0.947 -4.406 1.00 0.15 C ATOM 866 CG PHE A 83 -5.819 1.752 -3.610 1.00 0.16 C ATOM 867 CD1 PHE A 83 -6.164 2.984 -3.077 1.00 0.18 C ATOM 868 CD2 PHE A 83 -4.542 1.259 -3.384 1.00 0.19 C ATOM 869 CE1 PHE A 83 -5.250 3.708 -2.335 1.00 0.20 C ATOM 870 CE2 PHE A 83 -3.626 1.980 -2.644 1.00 0.22 C ATOM 871 CZ PHE A 83 -3.983 3.205 -2.120 1.00 0.22 C ATOM 0 H PHE A 83 -7.020 -0.713 -6.304 1.00 0.16 H new ATOM 0 HA PHE A 83 -7.649 2.149 -5.974 1.00 0.16 H new ATOM 0 HB2 PHE A 83 -7.789 1.046 -3.940 1.00 0.15 H new ATOM 0 HB3 PHE A 83 -6.530 -0.105 -4.342 1.00 0.15 H new ATOM 0 HD1 PHE A 83 -7.155 3.381 -3.243 1.00 0.18 H new ATOM 0 HD2 PHE A 83 -4.261 0.299 -3.792 1.00 0.19 H new ATOM 0 HE1 PHE A 83 -5.527 4.667 -1.923 1.00 0.20 H new ATOM 0 HE2 PHE A 83 -2.634 1.587 -2.476 1.00 0.22 H new ATOM 0 HZ PHE A 83 -3.269 3.772 -1.540 1.00 0.22 H new ATOM 881 N MET A 84 -5.581 3.107 -6.819 1.00 0.19 N ATOM 882 CA MET A 84 -4.437 3.675 -7.512 1.00 0.19 C ATOM 883 C MET A 84 -3.844 4.848 -6.758 1.00 0.24 C ATOM 884 O MET A 84 -4.410 5.315 -5.776 1.00 0.44 O ATOM 885 CB MET A 84 -4.854 4.113 -8.909 1.00 0.22 C ATOM 886 CG MET A 84 -5.564 3.018 -9.655 1.00 0.21 C ATOM 887 SD MET A 84 -6.072 3.486 -11.310 1.00 0.25 S ATOM 888 CE MET A 84 -6.536 1.865 -11.887 1.00 0.23 C ATOM 0 H MET A 84 -6.332 3.770 -6.628 1.00 0.19 H new ATOM 0 HA MET A 84 -3.668 2.905 -7.577 1.00 0.19 H new ATOM 0 HB2 MET A 84 -5.506 4.984 -8.836 1.00 0.22 H new ATOM 0 HB3 MET A 84 -3.972 4.421 -9.471 1.00 0.22 H new ATOM 0 HG2 MET A 84 -4.909 2.149 -9.718 1.00 0.21 H new ATOM 0 HG3 MET A 84 -6.443 2.714 -9.087 1.00 0.21 H new ATOM 0 HE1 MET A 84 -7.127 1.958 -12.798 1.00 0.23 H new ATOM 0 HE2 MET A 84 -5.639 1.282 -12.095 1.00 0.23 H new ATOM 0 HE3 MET A 84 -7.126 1.361 -11.121 1.00 0.23 H new ATOM 898 N GLY A 85 -2.700 5.315 -7.235 1.00 0.19 N ATOM 899 CA GLY A 85 -2.018 6.416 -6.596 1.00 0.23 C ATOM 900 C GLY A 85 -0.916 6.983 -7.458 1.00 0.30 C ATOM 901 O GLY A 85 0.035 6.280 -7.788 1.00 0.61 O ATOM 0 H GLY A 85 -2.230 4.945 -8.061 1.00 0.19 H new ATOM 0 HA2 GLY A 85 -2.737 7.202 -6.366 1.00 0.23 H new ATOM 0 HA3 GLY A 85 -1.598 6.080 -5.648 1.00 0.23 H new ATOM 905 N ASN A 86 -1.046 8.241 -7.848 1.00 0.27 N ATOM 906 CA ASN A 86 0.020 8.910 -8.579 1.00 0.30 C ATOM 907 C ASN A 86 0.924 9.603 -7.574 1.00 0.24 C ATOM 908 O ASN A 86 0.468 10.452 -6.807 1.00 0.23 O ATOM 909 CB ASN A 86 -0.537 9.918 -9.585 1.00 0.41 C ATOM 910 CG ASN A 86 0.274 9.951 -10.867 1.00 0.58 C ATOM 911 OD1 ASN A 86 -0.046 9.255 -11.832 1.00 1.51 O ATOM 912 ND2 ASN A 86 1.332 10.740 -10.885 1.00 0.93 N ATOM 0 H ASN A 86 -1.870 8.816 -7.673 1.00 0.27 H new ATOM 0 HA ASN A 86 0.585 8.172 -9.149 1.00 0.30 H new ATOM 0 HB2 ASN A 86 -1.571 9.664 -9.817 1.00 0.41 H new ATOM 0 HB3 ASN A 86 -0.545 10.911 -9.136 1.00 0.41 H new ATOM 0 HD21 ASN A 86 1.918 10.789 -11.719 1.00 0.93 H new ATOM 0 HD22 ASN A 86 1.564 11.301 -10.065 1.00 0.93 H new ATOM 919 N PHE A 87 2.197 9.238 -7.568 1.00 0.23 N ATOM 920 CA PHE A 87 3.081 9.596 -6.467 1.00 0.20 C ATOM 921 C PHE A 87 3.992 10.776 -6.765 1.00 0.22 C ATOM 922 O PHE A 87 4.264 11.119 -7.916 1.00 0.30 O ATOM 923 CB PHE A 87 3.944 8.400 -6.067 1.00 0.24 C ATOM 924 CG PHE A 87 3.223 7.387 -5.233 1.00 0.20 C ATOM 925 CD1 PHE A 87 2.406 6.440 -5.820 1.00 0.23 C ATOM 926 CD2 PHE A 87 3.363 7.391 -3.857 1.00 0.23 C ATOM 927 CE1 PHE A 87 1.737 5.511 -5.051 1.00 0.27 C ATOM 928 CE2 PHE A 87 2.700 6.467 -3.077 1.00 0.27 C ATOM 929 CZ PHE A 87 1.881 5.522 -3.674 1.00 0.28 C ATOM 0 H PHE A 87 2.641 8.696 -8.310 1.00 0.23 H new ATOM 0 HA PHE A 87 2.422 9.894 -5.651 1.00 0.20 H new ATOM 0 HB2 PHE A 87 4.317 7.915 -6.969 1.00 0.24 H new ATOM 0 HB3 PHE A 87 4.813 8.759 -5.515 1.00 0.24 H new ATOM 0 HD1 PHE A 87 2.290 6.427 -6.894 1.00 0.23 H new ATOM 0 HD2 PHE A 87 3.999 8.127 -3.388 1.00 0.23 H new ATOM 0 HE1 PHE A 87 1.102 4.776 -5.522 1.00 0.27 H new ATOM 0 HE2 PHE A 87 2.819 6.480 -2.004 1.00 0.27 H new ATOM 0 HZ PHE A 87 1.357 4.797 -3.068 1.00 0.28 H new ATOM 939 N ASN A 88 4.436 11.380 -5.681 1.00 0.21 N ATOM 940 CA ASN A 88 5.512 12.348 -5.682 1.00 0.26 C ATOM 941 C ASN A 88 6.403 12.035 -4.494 1.00 0.27 C ATOM 942 O ASN A 88 6.135 12.455 -3.367 1.00 0.42 O ATOM 943 CB ASN A 88 4.986 13.773 -5.586 1.00 0.34 C ATOM 944 CG ASN A 88 6.099 14.803 -5.642 1.00 1.15 C ATOM 945 OD1 ASN A 88 7.131 14.585 -6.276 1.00 2.02 O ATOM 946 ND2 ASN A 88 5.895 15.931 -4.983 1.00 1.66 N ATOM 0 H ASN A 88 4.049 11.206 -4.753 1.00 0.21 H new ATOM 0 HA ASN A 88 6.067 12.280 -6.618 1.00 0.26 H new ATOM 0 HB2 ASN A 88 4.285 13.955 -6.400 1.00 0.34 H new ATOM 0 HB3 ASN A 88 4.431 13.891 -4.655 1.00 0.34 H new ATOM 0 HD21 ASN A 88 6.608 16.661 -4.988 1.00 1.66 H new ATOM 0 HD22 ASN A 88 5.025 16.072 -4.470 1.00 1.66 H new ATOM 953 N VAL A 89 7.436 11.262 -4.745 1.00 0.24 N ATOM 954 CA VAL A 89 8.209 10.667 -3.667 1.00 0.24 C ATOM 955 C VAL A 89 9.566 11.327 -3.493 1.00 0.30 C ATOM 956 O VAL A 89 10.230 11.699 -4.458 1.00 0.34 O ATOM 957 CB VAL A 89 8.429 9.148 -3.864 1.00 0.24 C ATOM 958 CG1 VAL A 89 8.506 8.457 -2.529 1.00 0.28 C ATOM 959 CG2 VAL A 89 7.345 8.514 -4.735 1.00 0.25 C ATOM 0 H VAL A 89 7.763 11.028 -5.682 1.00 0.24 H new ATOM 0 HA VAL A 89 7.610 10.831 -2.771 1.00 0.24 H new ATOM 0 HB VAL A 89 9.375 9.021 -4.389 1.00 0.24 H new ATOM 0 HG11 VAL A 89 8.661 7.389 -2.681 1.00 0.28 H new ATOM 0 HG12 VAL A 89 9.337 8.866 -1.955 1.00 0.28 H new ATOM 0 HG13 VAL A 89 7.576 8.615 -1.983 1.00 0.28 H new ATOM 0 HG21 VAL A 89 7.543 7.448 -4.844 1.00 0.25 H new ATOM 0 HG22 VAL A 89 6.372 8.656 -4.265 1.00 0.25 H new ATOM 0 HG23 VAL A 89 7.346 8.985 -5.718 1.00 0.25 H new ATOM 969 N LYS A 90 9.952 11.464 -2.238 1.00 0.33 N ATOM 970 CA LYS A 90 11.273 11.934 -1.862 1.00 0.41 C ATOM 971 C LYS A 90 12.137 10.710 -1.595 1.00 0.33 C ATOM 972 O LYS A 90 11.798 9.892 -0.742 1.00 0.35 O ATOM 973 CB LYS A 90 11.170 12.815 -0.614 1.00 0.54 C ATOM 974 CG LYS A 90 12.367 13.725 -0.386 1.00 0.99 C ATOM 975 CD LYS A 90 13.599 12.966 0.074 1.00 1.48 C ATOM 976 CE LYS A 90 14.772 13.905 0.296 1.00 2.27 C ATOM 977 NZ LYS A 90 15.148 14.640 -0.941 1.00 2.81 N ATOM 0 H LYS A 90 9.351 11.250 -1.442 1.00 0.33 H new ATOM 0 HA LYS A 90 11.718 12.534 -2.656 1.00 0.41 H new ATOM 0 HB2 LYS A 90 10.272 13.428 -0.690 1.00 0.54 H new ATOM 0 HB3 LYS A 90 11.045 12.174 0.259 1.00 0.54 H new ATOM 0 HG2 LYS A 90 12.596 14.256 -1.310 1.00 0.99 H new ATOM 0 HG3 LYS A 90 12.110 14.478 0.359 1.00 0.99 H new ATOM 0 HD2 LYS A 90 13.377 12.433 0.998 1.00 1.48 H new ATOM 0 HD3 LYS A 90 13.866 12.216 -0.670 1.00 1.48 H new ATOM 0 HE2 LYS A 90 14.519 14.620 1.078 1.00 2.27 H new ATOM 0 HE3 LYS A 90 15.630 13.334 0.652 1.00 2.27 H new ATOM 0 HZ1 LYS A 90 16.074 15.094 -0.807 1.00 2.81 H new ATOM 0 HZ2 LYS A 90 15.201 13.974 -1.738 1.00 2.81 H new ATOM 0 HZ3 LYS A 90 14.432 15.366 -1.144 1.00 2.81 H new ATOM 991 N GLU A 91 13.236 10.568 -2.315 1.00 0.41 N ATOM 992 CA GLU A 91 13.966 9.312 -2.292 1.00 0.44 C ATOM 993 C GLU A 91 15.476 9.497 -2.289 1.00 0.46 C ATOM 994 O GLU A 91 16.025 10.441 -2.859 1.00 0.62 O ATOM 995 CB GLU A 91 13.583 8.459 -3.485 1.00 0.72 C ATOM 996 CG GLU A 91 13.797 6.974 -3.287 1.00 0.52 C ATOM 997 CD GLU A 91 13.780 6.214 -4.595 1.00 1.20 C ATOM 998 OE1 GLU A 91 12.989 6.580 -5.487 1.00 1.57 O ATOM 999 OE2 GLU A 91 14.542 5.233 -4.724 1.00 1.68 O ATOM 0 H GLU A 91 13.637 11.291 -2.912 1.00 0.41 H new ATOM 0 HA GLU A 91 13.690 8.819 -1.360 1.00 0.44 H new ATOM 0 HB2 GLU A 91 12.533 8.634 -3.719 1.00 0.72 H new ATOM 0 HB3 GLU A 91 14.161 8.785 -4.350 1.00 0.72 H new ATOM 0 HG2 GLU A 91 14.751 6.810 -2.786 1.00 0.52 H new ATOM 0 HG3 GLU A 91 13.021 6.581 -2.631 1.00 0.52 H new ATOM 1006 N VAL A 92 16.113 8.564 -1.621 1.00 0.45 N ATOM 1007 CA VAL A 92 17.563 8.440 -1.565 1.00 0.43 C ATOM 1008 C VAL A 92 17.971 7.229 -2.389 1.00 0.41 C ATOM 1009 O VAL A 92 17.135 6.399 -2.726 1.00 0.40 O ATOM 1010 CB VAL A 92 18.070 8.247 -0.120 1.00 0.44 C ATOM 1011 CG1 VAL A 92 17.599 9.365 0.769 1.00 0.53 C ATOM 1012 CG2 VAL A 92 17.633 6.917 0.429 1.00 0.40 C ATOM 0 H VAL A 92 15.628 7.846 -1.083 1.00 0.45 H new ATOM 0 HA VAL A 92 18.001 9.358 -1.956 1.00 0.43 H new ATOM 0 HB VAL A 92 19.160 8.266 -0.143 1.00 0.44 H new ATOM 0 HG11 VAL A 92 17.970 9.205 1.782 1.00 0.53 H new ATOM 0 HG12 VAL A 92 17.976 10.315 0.390 1.00 0.53 H new ATOM 0 HG13 VAL A 92 16.509 9.386 0.781 1.00 0.53 H new ATOM 0 HG21 VAL A 92 18.003 6.805 1.448 1.00 0.40 H new ATOM 0 HG22 VAL A 92 16.544 6.864 0.430 1.00 0.40 H new ATOM 0 HG23 VAL A 92 18.035 6.117 -0.193 1.00 0.40 H new ATOM 1022 N ASP A 93 19.222 7.146 -2.763 1.00 0.44 N ATOM 1023 CA ASP A 93 19.722 5.956 -3.428 1.00 0.45 C ATOM 1024 C ASP A 93 20.771 5.296 -2.554 1.00 0.46 C ATOM 1025 O ASP A 93 21.456 5.964 -1.780 1.00 0.57 O ATOM 1026 CB ASP A 93 20.295 6.297 -4.797 1.00 0.56 C ATOM 1027 CG ASP A 93 19.240 6.781 -5.775 1.00 1.17 C ATOM 1028 OD1 ASP A 93 18.572 5.938 -6.411 1.00 1.78 O ATOM 1029 OD2 ASP A 93 19.071 8.011 -5.917 1.00 1.83 O ATOM 0 H ASP A 93 19.915 7.881 -2.622 1.00 0.44 H new ATOM 0 HA ASP A 93 18.896 5.262 -3.582 1.00 0.45 H new ATOM 0 HB2 ASP A 93 21.059 7.066 -4.684 1.00 0.56 H new ATOM 0 HB3 ASP A 93 20.788 5.416 -5.209 1.00 0.56 H new ATOM 1034 N GLY A 94 20.878 3.983 -2.659 1.00 0.42 N ATOM 1035 CA GLY A 94 21.752 3.244 -1.774 1.00 0.43 C ATOM 1036 C GLY A 94 20.983 2.634 -0.621 1.00 0.40 C ATOM 1037 O GLY A 94 21.277 1.521 -0.185 1.00 0.48 O ATOM 0 H GLY A 94 20.376 3.415 -3.341 1.00 0.42 H new ATOM 0 HA2 GLY A 94 22.257 2.457 -2.333 1.00 0.43 H new ATOM 0 HA3 GLY A 94 22.526 3.907 -1.387 1.00 0.43 H new ATOM 1041 N CYS A 95 19.962 3.351 -0.161 1.00 0.33 N ATOM 1042 CA CYS A 95 19.136 2.893 0.950 1.00 0.31 C ATOM 1043 C CYS A 95 18.208 1.810 0.452 1.00 0.27 C ATOM 1044 O CYS A 95 17.914 0.838 1.141 1.00 0.32 O ATOM 1045 CB CYS A 95 18.320 4.051 1.522 1.00 0.33 C ATOM 1046 SG CYS A 95 17.322 3.610 2.981 1.00 0.42 S ATOM 0 H CYS A 95 19.686 4.256 -0.543 1.00 0.33 H new ATOM 0 HA CYS A 95 19.777 2.502 1.740 1.00 0.31 H new ATOM 0 HB2 CYS A 95 18.998 4.861 1.791 1.00 0.33 H new ATOM 0 HB3 CYS A 95 17.658 4.434 0.745 1.00 0.33 H new ATOM 1051 N PHE A 96 17.765 1.997 -0.774 1.00 0.24 N ATOM 1052 CA PHE A 96 16.952 1.018 -1.461 1.00 0.23 C ATOM 1053 C PHE A 96 17.850 0.237 -2.412 1.00 0.24 C ATOM 1054 O PHE A 96 17.387 -0.294 -3.417 1.00 0.23 O ATOM 1055 CB PHE A 96 15.826 1.715 -2.239 1.00 0.24 C ATOM 1056 CG PHE A 96 15.208 2.858 -1.489 1.00 0.23 C ATOM 1057 CD1 PHE A 96 15.803 4.084 -1.554 1.00 0.30 C ATOM 1058 CD2 PHE A 96 14.073 2.713 -0.709 1.00 0.21 C ATOM 1059 CE1 PHE A 96 15.300 5.158 -0.856 1.00 0.35 C ATOM 1060 CE2 PHE A 96 13.559 3.783 -0.013 1.00 0.24 C ATOM 1061 CZ PHE A 96 14.181 5.006 -0.082 1.00 0.31 C ATOM 0 H PHE A 96 17.960 2.835 -1.323 1.00 0.24 H new ATOM 0 HA PHE A 96 16.493 0.340 -0.742 1.00 0.23 H new ATOM 0 HB2 PHE A 96 16.221 2.082 -3.186 1.00 0.24 H new ATOM 0 HB3 PHE A 96 15.052 0.985 -2.478 1.00 0.24 H new ATOM 0 HD1 PHE A 96 16.685 4.214 -2.164 1.00 0.30 H new ATOM 0 HD2 PHE A 96 13.587 1.751 -0.646 1.00 0.21 H new ATOM 0 HE1 PHE A 96 15.787 6.120 -0.919 1.00 0.35 H new ATOM 0 HE2 PHE A 96 12.669 3.662 0.586 1.00 0.24 H new ATOM 0 HZ PHE A 96 13.788 5.845 0.473 1.00 0.31 H new ATOM 1071 N MET A 97 19.142 0.175 -2.066 1.00 0.27 N ATOM 1072 CA MET A 97 20.151 -0.476 -2.893 1.00 0.29 C ATOM 1073 C MET A 97 19.906 -0.190 -4.372 1.00 0.31 C ATOM 1074 O MET A 97 19.861 0.971 -4.782 1.00 0.40 O ATOM 1075 CB MET A 97 20.167 -1.980 -2.610 1.00 0.29 C ATOM 1076 CG MET A 97 20.561 -2.319 -1.179 1.00 0.33 C ATOM 1077 SD MET A 97 21.182 -4.005 -0.994 1.00 0.45 S ATOM 1078 CE MET A 97 19.772 -4.966 -1.536 1.00 1.22 C ATOM 0 H MET A 97 19.511 0.576 -1.204 1.00 0.27 H new ATOM 0 HA MET A 97 21.131 -0.070 -2.641 1.00 0.29 H new ATOM 0 HB2 MET A 97 19.179 -2.392 -2.815 1.00 0.29 H new ATOM 0 HB3 MET A 97 20.862 -2.464 -3.295 1.00 0.29 H new ATOM 0 HG2 MET A 97 21.325 -1.618 -0.843 1.00 0.33 H new ATOM 0 HG3 MET A 97 19.697 -2.183 -0.529 1.00 0.33 H new ATOM 0 HE1 MET A 97 20.088 -5.988 -1.748 1.00 1.22 H new ATOM 0 HE2 MET A 97 19.015 -4.975 -0.752 1.00 1.22 H new ATOM 0 HE3 MET A 97 19.354 -4.521 -2.439 1.00 1.22 H new ATOM 1088 N ASP A 98 19.741 -1.239 -5.159 1.00 0.30 N ATOM 1089 CA ASP A 98 19.295 -1.091 -6.532 1.00 0.31 C ATOM 1090 C ASP A 98 18.003 -1.850 -6.723 1.00 0.26 C ATOM 1091 O ASP A 98 17.030 -1.325 -7.257 1.00 0.25 O ATOM 1092 CB ASP A 98 20.332 -1.626 -7.522 1.00 0.40 C ATOM 1093 CG ASP A 98 21.669 -0.926 -7.435 1.00 1.01 C ATOM 1094 OD1 ASP A 98 21.826 0.160 -8.030 1.00 1.64 O ATOM 1095 OD2 ASP A 98 22.590 -1.485 -6.803 1.00 1.19 O ATOM 0 H ASP A 98 19.909 -2.203 -4.870 1.00 0.30 H new ATOM 0 HA ASP A 98 19.150 -0.028 -6.724 1.00 0.31 H new ATOM 0 HB2 ASP A 98 20.477 -2.691 -7.343 1.00 0.40 H new ATOM 0 HB3 ASP A 98 19.942 -1.523 -8.535 1.00 0.40 H new ATOM 1100 N ALA A 99 17.987 -3.077 -6.233 1.00 0.24 N ATOM 1101 CA ALA A 99 16.875 -3.971 -6.476 1.00 0.24 C ATOM 1102 C ALA A 99 15.713 -3.635 -5.569 1.00 0.20 C ATOM 1103 O ALA A 99 14.560 -3.909 -5.884 1.00 0.20 O ATOM 1104 CB ALA A 99 17.294 -5.416 -6.289 1.00 0.28 C ATOM 0 H ALA A 99 18.734 -3.475 -5.664 1.00 0.24 H new ATOM 0 HA ALA A 99 16.555 -3.840 -7.510 1.00 0.24 H new ATOM 0 HB1 ALA A 99 16.442 -6.069 -6.477 1.00 0.28 H new ATOM 0 HB2 ALA A 99 18.096 -5.656 -6.987 1.00 0.28 H new ATOM 0 HB3 ALA A 99 17.646 -5.564 -5.268 1.00 0.28 H new ATOM 1110 N GLN A 100 16.032 -3.038 -4.437 1.00 0.18 N ATOM 1111 CA GLN A 100 15.023 -2.599 -3.495 1.00 0.16 C ATOM 1112 C GLN A 100 14.283 -1.418 -4.086 1.00 0.14 C ATOM 1113 O GLN A 100 13.076 -1.276 -3.936 1.00 0.13 O ATOM 1114 CB GLN A 100 15.661 -2.195 -2.173 1.00 0.19 C ATOM 1115 CG GLN A 100 16.661 -3.208 -1.645 1.00 0.23 C ATOM 1116 CD GLN A 100 17.009 -2.995 -0.186 1.00 0.29 C ATOM 1117 OE1 GLN A 100 17.285 -3.946 0.542 1.00 0.83 O ATOM 1118 NE2 GLN A 100 17.006 -1.748 0.251 1.00 1.27 N ATOM 0 H GLN A 100 16.991 -2.845 -4.147 1.00 0.18 H new ATOM 0 HA GLN A 100 14.331 -3.419 -3.305 1.00 0.16 H new ATOM 0 HB2 GLN A 100 16.162 -1.235 -2.299 1.00 0.19 H new ATOM 0 HB3 GLN A 100 14.877 -2.050 -1.430 1.00 0.19 H new ATOM 0 HG2 GLN A 100 16.255 -4.211 -1.773 1.00 0.23 H new ATOM 0 HG3 GLN A 100 17.572 -3.155 -2.241 1.00 0.23 H new ATOM 0 HE21 GLN A 100 16.771 -0.985 -0.385 1.00 1.27 H new ATOM 0 HE22 GLN A 100 17.238 -1.548 1.224 1.00 1.27 H new ATOM 1127 N LYS A 101 15.046 -0.572 -4.754 1.00 0.16 N ATOM 1128 CA LYS A 101 14.509 0.555 -5.492 1.00 0.17 C ATOM 1129 C LYS A 101 13.593 0.058 -6.598 1.00 0.17 C ATOM 1130 O LYS A 101 12.456 0.502 -6.726 1.00 0.17 O ATOM 1131 CB LYS A 101 15.651 1.358 -6.097 1.00 0.23 C ATOM 1132 CG LYS A 101 15.188 2.609 -6.793 1.00 0.28 C ATOM 1133 CD LYS A 101 16.333 3.290 -7.522 1.00 0.50 C ATOM 1134 CE LYS A 101 15.932 4.658 -8.040 1.00 1.21 C ATOM 1135 NZ LYS A 101 15.889 5.665 -6.950 1.00 1.85 N ATOM 0 H LYS A 101 16.062 -0.649 -4.800 1.00 0.16 H new ATOM 0 HA LYS A 101 13.939 1.189 -4.813 1.00 0.17 H new ATOM 0 HB2 LYS A 101 16.355 1.627 -5.310 1.00 0.23 H new ATOM 0 HB3 LYS A 101 16.191 0.732 -6.808 1.00 0.23 H new ATOM 0 HG2 LYS A 101 14.398 2.362 -7.502 1.00 0.28 H new ATOM 0 HG3 LYS A 101 14.758 3.296 -6.064 1.00 0.28 H new ATOM 0 HD2 LYS A 101 17.185 3.391 -6.849 1.00 0.50 H new ATOM 0 HD3 LYS A 101 16.657 2.666 -8.355 1.00 0.50 H new ATOM 0 HE2 LYS A 101 16.639 4.979 -8.805 1.00 1.21 H new ATOM 0 HE3 LYS A 101 14.954 4.595 -8.516 1.00 1.21 H new ATOM 0 HZ1 LYS A 101 15.278 6.457 -7.233 1.00 1.85 H new ATOM 0 HZ2 LYS A 101 15.510 5.226 -6.087 1.00 1.85 H new ATOM 0 HZ3 LYS A 101 16.850 6.018 -6.765 1.00 1.85 H new ATOM 1149 N ILE A 102 14.120 -0.845 -7.412 1.00 0.17 N ATOM 1150 CA ILE A 102 13.328 -1.555 -8.405 1.00 0.18 C ATOM 1151 C ILE A 102 12.064 -2.139 -7.777 1.00 0.15 C ATOM 1152 O ILE A 102 10.972 -1.966 -8.304 1.00 0.15 O ATOM 1153 CB ILE A 102 14.151 -2.683 -9.040 1.00 0.20 C ATOM 1154 CG1 ILE A 102 15.404 -2.092 -9.677 1.00 0.23 C ATOM 1155 CG2 ILE A 102 13.327 -3.440 -10.079 1.00 0.21 C ATOM 1156 CD1 ILE A 102 16.444 -3.123 -10.038 1.00 0.25 C ATOM 0 H ILE A 102 15.106 -1.106 -7.403 1.00 0.17 H new ATOM 0 HA ILE A 102 13.041 -0.840 -9.176 1.00 0.18 H new ATOM 0 HB ILE A 102 14.439 -3.393 -8.265 1.00 0.20 H new ATOM 0 HG12 ILE A 102 15.120 -1.545 -10.576 1.00 0.23 H new ATOM 0 HG13 ILE A 102 15.844 -1.370 -8.990 1.00 0.23 H new ATOM 0 HG21 ILE A 102 13.932 -4.235 -10.515 1.00 0.21 H new ATOM 0 HG22 ILE A 102 12.449 -3.874 -9.601 1.00 0.21 H new ATOM 0 HG23 ILE A 102 13.011 -2.753 -10.864 1.00 0.21 H new ATOM 0 HD11 ILE A 102 17.306 -2.629 -10.486 1.00 0.25 H new ATOM 0 HD12 ILE A 102 16.757 -3.654 -9.139 1.00 0.25 H new ATOM 0 HD13 ILE A 102 16.022 -3.832 -10.750 1.00 0.25 H new ATOM 1168 N ALA A 103 12.231 -2.814 -6.641 1.00 0.13 N ATOM 1169 CA ALA A 103 11.108 -3.358 -5.874 1.00 0.11 C ATOM 1170 C ALA A 103 10.066 -2.286 -5.595 1.00 0.10 C ATOM 1171 O ALA A 103 8.865 -2.532 -5.646 1.00 0.10 O ATOM 1172 CB ALA A 103 11.605 -3.918 -4.556 1.00 0.11 C ATOM 0 H ALA A 103 13.144 -3.000 -6.226 1.00 0.13 H new ATOM 0 HA ALA A 103 10.650 -4.150 -6.467 1.00 0.11 H new ATOM 0 HB1 ALA A 103 10.764 -4.321 -3.991 1.00 0.11 H new ATOM 0 HB2 ALA A 103 12.327 -4.712 -4.747 1.00 0.11 H new ATOM 0 HB3 ALA A 103 12.082 -3.125 -3.980 1.00 0.11 H new ATOM 1178 N ILE A 104 10.555 -1.094 -5.310 1.00 0.10 N ATOM 1179 CA ILE A 104 9.724 0.036 -4.954 1.00 0.11 C ATOM 1180 C ILE A 104 9.075 0.651 -6.184 1.00 0.12 C ATOM 1181 O ILE A 104 7.924 1.079 -6.142 1.00 0.13 O ATOM 1182 CB ILE A 104 10.571 1.069 -4.202 1.00 0.11 C ATOM 1183 CG1 ILE A 104 10.887 0.535 -2.822 1.00 0.14 C ATOM 1184 CG2 ILE A 104 9.904 2.427 -4.096 1.00 0.15 C ATOM 1185 CD1 ILE A 104 11.485 1.579 -1.934 1.00 0.17 C ATOM 0 H ILE A 104 11.553 -0.883 -5.320 1.00 0.10 H new ATOM 0 HA ILE A 104 8.918 -0.306 -4.304 1.00 0.11 H new ATOM 0 HB ILE A 104 11.485 1.222 -4.775 1.00 0.11 H new ATOM 0 HG12 ILE A 104 9.975 0.152 -2.365 1.00 0.14 H new ATOM 0 HG13 ILE A 104 11.577 -0.304 -2.909 1.00 0.14 H new ATOM 0 HG21 ILE A 104 10.556 3.111 -3.553 1.00 0.15 H new ATOM 0 HG22 ILE A 104 9.718 2.820 -5.096 1.00 0.15 H new ATOM 0 HG23 ILE A 104 8.958 2.327 -3.563 1.00 0.15 H new ATOM 0 HD11 ILE A 104 11.694 1.148 -0.955 1.00 0.17 H new ATOM 0 HD12 ILE A 104 12.412 1.944 -2.375 1.00 0.17 H new ATOM 0 HD13 ILE A 104 10.785 2.407 -1.823 1.00 0.17 H new ATOM 1197 N ASP A 105 9.817 0.680 -7.279 1.00 0.13 N ATOM 1198 CA ASP A 105 9.268 1.102 -8.559 1.00 0.16 C ATOM 1199 C ASP A 105 8.152 0.159 -8.955 1.00 0.14 C ATOM 1200 O ASP A 105 7.071 0.578 -9.370 1.00 0.17 O ATOM 1201 CB ASP A 105 10.340 1.087 -9.631 1.00 0.21 C ATOM 1202 CG ASP A 105 9.818 1.548 -10.977 1.00 0.36 C ATOM 1203 OD1 ASP A 105 9.586 2.763 -11.140 1.00 0.53 O ATOM 1204 OD2 ASP A 105 9.632 0.698 -11.876 1.00 0.44 O ATOM 0 H ASP A 105 10.802 0.416 -7.308 1.00 0.13 H new ATOM 0 HA ASP A 105 8.886 2.118 -8.461 1.00 0.16 H new ATOM 0 HB2 ASP A 105 11.165 1.730 -9.325 1.00 0.21 H new ATOM 0 HB3 ASP A 105 10.741 0.078 -9.726 1.00 0.21 H new ATOM 1209 N LYS A 106 8.441 -1.122 -8.808 1.00 0.13 N ATOM 1210 CA LYS A 106 7.455 -2.176 -8.990 1.00 0.13 C ATOM 1211 C LYS A 106 6.232 -1.916 -8.112 1.00 0.12 C ATOM 1212 O LYS A 106 5.102 -1.909 -8.592 1.00 0.14 O ATOM 1213 CB LYS A 106 8.066 -3.527 -8.617 1.00 0.14 C ATOM 1214 CG LYS A 106 9.142 -4.016 -9.561 1.00 0.16 C ATOM 1215 CD LYS A 106 10.024 -5.057 -8.891 1.00 0.18 C ATOM 1216 CE LYS A 106 10.892 -5.788 -9.895 1.00 0.22 C ATOM 1217 NZ LYS A 106 11.852 -6.712 -9.237 1.00 0.29 N ATOM 0 H LYS A 106 9.369 -1.463 -8.558 1.00 0.13 H new ATOM 0 HA LYS A 106 7.148 -2.188 -10.036 1.00 0.13 H new ATOM 0 HB2 LYS A 106 8.487 -3.456 -7.614 1.00 0.14 H new ATOM 0 HB3 LYS A 106 7.271 -4.272 -8.577 1.00 0.14 H new ATOM 0 HG2 LYS A 106 8.682 -4.443 -10.452 1.00 0.16 H new ATOM 0 HG3 LYS A 106 9.752 -3.175 -9.890 1.00 0.16 H new ATOM 0 HD2 LYS A 106 10.657 -4.573 -8.147 1.00 0.18 H new ATOM 0 HD3 LYS A 106 9.400 -5.775 -8.359 1.00 0.18 H new ATOM 0 HE2 LYS A 106 10.258 -6.352 -10.579 1.00 0.22 H new ATOM 0 HE3 LYS A 106 11.441 -5.062 -10.495 1.00 0.22 H new ATOM 0 HZ1 LYS A 106 11.830 -7.635 -9.716 1.00 0.29 H new ATOM 0 HZ2 LYS A 106 12.811 -6.315 -9.295 1.00 0.29 H new ATOM 0 HZ3 LYS A 106 11.587 -6.834 -8.239 1.00 0.29 H new ATOM 1231 N LEU A 107 6.481 -1.664 -6.828 1.00 0.10 N ATOM 1232 CA LEU A 107 5.415 -1.421 -5.864 1.00 0.11 C ATOM 1233 C LEU A 107 4.600 -0.188 -6.241 1.00 0.10 C ATOM 1234 O LEU A 107 3.373 -0.236 -6.261 1.00 0.11 O ATOM 1235 CB LEU A 107 6.015 -1.290 -4.440 1.00 0.13 C ATOM 1236 CG LEU A 107 5.614 -0.050 -3.638 1.00 0.11 C ATOM 1237 CD1 LEU A 107 4.212 -0.186 -3.079 1.00 0.13 C ATOM 1238 CD2 LEU A 107 6.612 0.193 -2.519 1.00 0.15 C ATOM 0 H LEU A 107 7.420 -1.623 -6.431 1.00 0.10 H new ATOM 0 HA LEU A 107 4.732 -2.270 -5.875 1.00 0.11 H new ATOM 0 HB2 LEU A 107 5.730 -2.173 -3.868 1.00 0.13 H new ATOM 0 HB3 LEU A 107 7.102 -1.303 -4.526 1.00 0.13 H new ATOM 0 HG LEU A 107 5.621 0.807 -4.311 1.00 0.11 H new ATOM 0 HD11 LEU A 107 3.957 0.711 -2.514 1.00 0.13 H new ATOM 0 HD12 LEU A 107 3.504 -0.313 -3.898 1.00 0.13 H new ATOM 0 HD13 LEU A 107 4.165 -1.054 -2.422 1.00 0.13 H new ATOM 0 HD21 LEU A 107 6.317 1.078 -1.954 1.00 0.15 H new ATOM 0 HD22 LEU A 107 6.632 -0.671 -1.855 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.604 0.347 -2.943 1.00 0.15 H new ATOM 1250 N PHE A 108 5.281 0.896 -6.573 1.00 0.10 N ATOM 1251 CA PHE A 108 4.607 2.155 -6.864 1.00 0.11 C ATOM 1252 C PHE A 108 3.866 2.134 -8.200 1.00 0.12 C ATOM 1253 O PHE A 108 2.785 2.713 -8.318 1.00 0.14 O ATOM 1254 CB PHE A 108 5.584 3.328 -6.801 1.00 0.12 C ATOM 1255 CG PHE A 108 5.865 3.791 -5.393 1.00 0.12 C ATOM 1256 CD1 PHE A 108 5.032 3.434 -4.345 1.00 0.15 C ATOM 1257 CD2 PHE A 108 6.972 4.581 -5.119 1.00 0.17 C ATOM 1258 CE1 PHE A 108 5.299 3.855 -3.055 1.00 0.16 C ATOM 1259 CE2 PHE A 108 7.242 5.006 -3.835 1.00 0.17 C ATOM 1260 CZ PHE A 108 6.357 4.647 -2.793 1.00 0.14 C ATOM 0 H PHE A 108 6.298 0.932 -6.648 1.00 0.10 H new ATOM 0 HA PHE A 108 3.852 2.289 -6.089 1.00 0.11 H new ATOM 0 HB2 PHE A 108 6.522 3.038 -7.275 1.00 0.12 H new ATOM 0 HB3 PHE A 108 5.180 4.161 -7.377 1.00 0.12 H new ATOM 0 HD1 PHE A 108 4.165 2.820 -4.538 1.00 0.15 H new ATOM 0 HD2 PHE A 108 7.633 4.868 -5.924 1.00 0.17 H new ATOM 0 HE1 PHE A 108 4.652 3.545 -2.248 1.00 0.16 H new ATOM 0 HE2 PHE A 108 8.117 5.604 -3.629 1.00 0.17 H new ATOM 0 HZ PHE A 108 6.528 5.007 -1.789 1.00 0.14 H new ATOM 1270 N SER A 109 4.427 1.475 -9.202 1.00 0.13 N ATOM 1271 CA SER A 109 3.754 1.349 -10.485 1.00 0.14 C ATOM 1272 C SER A 109 2.520 0.459 -10.359 1.00 0.14 C ATOM 1273 O SER A 109 1.545 0.625 -11.092 1.00 0.16 O ATOM 1274 CB SER A 109 4.720 0.801 -11.530 1.00 0.17 C ATOM 1275 OG SER A 109 5.237 -0.460 -11.145 1.00 1.14 O ATOM 0 H SER A 109 5.340 1.022 -9.153 1.00 0.13 H new ATOM 0 HA SER A 109 3.422 2.336 -10.807 1.00 0.14 H new ATOM 0 HB2 SER A 109 4.208 0.709 -12.488 1.00 0.17 H new ATOM 0 HB3 SER A 109 5.541 1.504 -11.673 1.00 0.17 H new ATOM 0 HG SER A 109 5.946 -0.334 -10.481 1.00 1.14 H new ATOM 1281 N MET A 110 2.565 -0.471 -9.408 1.00 0.13 N ATOM 1282 CA MET A 110 1.435 -1.349 -9.128 1.00 0.14 C ATOM 1283 C MET A 110 0.184 -0.566 -8.782 1.00 0.14 C ATOM 1284 O MET A 110 -0.875 -0.804 -9.360 1.00 0.16 O ATOM 1285 CB MET A 110 1.742 -2.273 -7.967 1.00 0.13 C ATOM 1286 CG MET A 110 2.524 -3.510 -8.334 1.00 0.17 C ATOM 1287 SD MET A 110 2.374 -4.765 -7.056 1.00 0.23 S ATOM 1288 CE MET A 110 2.304 -3.718 -5.605 1.00 0.14 C ATOM 0 H MET A 110 3.379 -0.635 -8.815 1.00 0.13 H new ATOM 0 HA MET A 110 1.263 -1.925 -10.037 1.00 0.14 H new ATOM 0 HB2 MET A 110 2.301 -1.716 -7.215 1.00 0.13 H new ATOM 0 HB3 MET A 110 0.803 -2.577 -7.505 1.00 0.13 H new ATOM 0 HG2 MET A 110 2.162 -3.906 -9.283 1.00 0.17 H new ATOM 0 HG3 MET A 110 3.574 -3.253 -8.476 1.00 0.17 H new ATOM 0 HE1 MET A 110 2.246 -4.339 -4.711 1.00 0.14 H new ATOM 0 HE2 MET A 110 3.200 -3.099 -5.559 1.00 0.14 H new ATOM 0 HE3 MET A 110 1.424 -3.078 -5.660 1.00 0.14 H new ATOM 1298 N LEU A 111 0.299 0.359 -7.828 1.00 0.14 N ATOM 1299 CA LEU A 111 -0.860 1.129 -7.398 1.00 0.15 C ATOM 1300 C LEU A 111 -1.424 1.862 -8.593 1.00 0.17 C ATOM 1301 O LEU A 111 -2.626 1.898 -8.811 1.00 0.18 O ATOM 1302 CB LEU A 111 -0.527 2.175 -6.319 1.00 0.17 C ATOM 1303 CG LEU A 111 0.310 1.729 -5.114 1.00 0.15 C ATOM 1304 CD1 LEU A 111 0.182 0.235 -4.840 1.00 0.17 C ATOM 1305 CD2 LEU A 111 1.761 2.145 -5.304 1.00 0.15 C ATOM 0 H LEU A 111 1.169 0.588 -7.348 1.00 0.14 H new ATOM 0 HA LEU A 111 -1.570 0.422 -6.970 1.00 0.15 H new ATOM 0 HB2 LEU A 111 -0.002 2.998 -6.803 1.00 0.17 H new ATOM 0 HB3 LEU A 111 -1.468 2.576 -5.941 1.00 0.17 H new ATOM 0 HG LEU A 111 -0.082 2.232 -4.230 1.00 0.15 H new ATOM 0 HD11 LEU A 111 0.793 -0.030 -3.978 1.00 0.17 H new ATOM 0 HD12 LEU A 111 -0.860 -0.009 -4.635 1.00 0.17 H new ATOM 0 HD13 LEU A 111 0.521 -0.325 -5.711 1.00 0.17 H new ATOM 0 HD21 LEU A 111 2.347 1.824 -4.443 1.00 0.15 H new ATOM 0 HD22 LEU A 111 2.157 1.680 -6.207 1.00 0.15 H new ATOM 0 HD23 LEU A 111 1.819 3.229 -5.398 1.00 0.15 H new ATOM 1317 N LYS A 112 -0.520 2.410 -9.384 1.00 0.19 N ATOM 1318 CA LYS A 112 -0.877 3.219 -10.533 1.00 0.22 C ATOM 1319 C LYS A 112 -1.590 2.393 -11.595 1.00 0.21 C ATOM 1320 O LYS A 112 -2.429 2.910 -12.334 1.00 0.24 O ATOM 1321 CB LYS A 112 0.380 3.838 -11.119 1.00 0.29 C ATOM 1322 CG LYS A 112 1.144 4.706 -10.137 1.00 0.36 C ATOM 1323 CD LYS A 112 2.379 5.284 -10.781 1.00 0.47 C ATOM 1324 CE LYS A 112 3.247 5.987 -9.764 1.00 1.22 C ATOM 1325 NZ LYS A 112 4.581 6.324 -10.322 1.00 1.82 N ATOM 0 H LYS A 112 0.485 2.306 -9.247 1.00 0.19 H new ATOM 0 HA LYS A 112 -1.561 4.002 -10.205 1.00 0.22 H new ATOM 0 HB2 LYS A 112 1.035 3.043 -11.474 1.00 0.29 H new ATOM 0 HB3 LYS A 112 0.108 4.439 -11.987 1.00 0.29 H new ATOM 0 HG2 LYS A 112 0.502 5.512 -9.782 1.00 0.36 H new ATOM 0 HG3 LYS A 112 1.426 4.115 -9.265 1.00 0.36 H new ATOM 0 HD2 LYS A 112 2.948 4.488 -11.261 1.00 0.47 H new ATOM 0 HD3 LYS A 112 2.090 5.986 -11.563 1.00 0.47 H new ATOM 0 HE2 LYS A 112 2.751 6.898 -9.430 1.00 1.22 H new ATOM 0 HE3 LYS A 112 3.369 5.351 -8.887 1.00 1.22 H new ATOM 0 HZ1 LYS A 112 5.149 6.805 -9.596 1.00 1.82 H new ATOM 0 HZ2 LYS A 112 5.064 5.452 -10.618 1.00 1.82 H new ATOM 0 HZ3 LYS A 112 4.465 6.951 -11.143 1.00 1.82 H new ATOM 1339 N ASP A 113 -1.257 1.107 -11.669 1.00 0.20 N ATOM 1340 CA ASP A 113 -1.887 0.210 -12.623 1.00 0.22 C ATOM 1341 C ASP A 113 -3.216 -0.242 -12.065 1.00 0.21 C ATOM 1342 O ASP A 113 -4.115 -0.689 -12.782 1.00 0.24 O ATOM 1343 CB ASP A 113 -0.991 -0.996 -12.845 1.00 0.25 C ATOM 1344 CG ASP A 113 -1.465 -1.879 -13.981 1.00 0.35 C ATOM 1345 OD1 ASP A 113 -1.155 -1.563 -15.149 1.00 0.51 O ATOM 1346 OD2 ASP A 113 -2.131 -2.902 -13.715 1.00 0.46 O ATOM 0 H ASP A 113 -0.553 0.666 -11.077 1.00 0.20 H new ATOM 0 HA ASP A 113 -2.042 0.723 -13.572 1.00 0.22 H new ATOM 0 HB2 ASP A 113 0.023 -0.656 -13.054 1.00 0.25 H new ATOM 0 HB3 ASP A 113 -0.947 -1.584 -11.928 1.00 0.25 H new ATOM 1351 N GLY A 114 -3.317 -0.089 -10.765 1.00 0.18 N ATOM 1352 CA GLY A 114 -4.519 -0.417 -10.054 1.00 0.17 C ATOM 1353 C GLY A 114 -4.328 -1.627 -9.176 1.00 0.15 C ATOM 1354 O GLY A 114 -4.535 -2.761 -9.611 1.00 0.18 O ATOM 0 H GLY A 114 -2.565 0.267 -10.175 1.00 0.18 H new ATOM 0 HA2 GLY A 114 -4.825 0.432 -9.443 1.00 0.17 H new ATOM 0 HA3 GLY A 114 -5.324 -0.605 -10.765 1.00 0.17 H new ATOM 1358 N VAL A 115 -3.913 -1.392 -7.943 1.00 0.14 N ATOM 1359 CA VAL A 115 -3.734 -2.461 -6.991 1.00 0.12 C ATOM 1360 C VAL A 115 -4.994 -2.569 -6.146 1.00 0.12 C ATOM 1361 O VAL A 115 -5.526 -1.566 -5.680 1.00 0.13 O ATOM 1362 CB VAL A 115 -2.482 -2.227 -6.102 1.00 0.12 C ATOM 1363 CG1 VAL A 115 -2.834 -2.119 -4.634 1.00 0.12 C ATOM 1364 CG2 VAL A 115 -1.449 -3.308 -6.339 1.00 0.14 C ATOM 0 H VAL A 115 -3.694 -0.464 -7.582 1.00 0.14 H new ATOM 0 HA VAL A 115 -3.567 -3.397 -7.525 1.00 0.12 H new ATOM 0 HB VAL A 115 -2.052 -1.269 -6.393 1.00 0.12 H new ATOM 0 HG11 VAL A 115 -1.926 -1.956 -4.053 1.00 0.12 H new ATOM 0 HG12 VAL A 115 -3.516 -1.282 -4.484 1.00 0.12 H new ATOM 0 HG13 VAL A 115 -3.314 -3.041 -4.306 1.00 0.12 H new ATOM 0 HG21 VAL A 115 -0.580 -3.126 -5.707 1.00 0.14 H new ATOM 0 HG22 VAL A 115 -1.877 -4.280 -6.095 1.00 0.14 H new ATOM 0 HG23 VAL A 115 -1.145 -3.297 -7.386 1.00 0.14 H new ATOM 1374 N VAL A 116 -5.504 -3.765 -5.988 1.00 0.12 N ATOM 1375 CA VAL A 116 -6.697 -3.952 -5.199 1.00 0.13 C ATOM 1376 C VAL A 116 -6.368 -4.578 -3.851 1.00 0.10 C ATOM 1377 O VAL A 116 -5.679 -5.596 -3.766 1.00 0.15 O ATOM 1378 CB VAL A 116 -7.754 -4.782 -5.955 1.00 0.19 C ATOM 1379 CG1 VAL A 116 -7.172 -6.078 -6.470 1.00 0.22 C ATOM 1380 CG2 VAL A 116 -8.980 -5.033 -5.085 1.00 0.23 C ATOM 0 H VAL A 116 -5.116 -4.618 -6.391 1.00 0.12 H new ATOM 0 HA VAL A 116 -7.127 -2.967 -5.017 1.00 0.13 H new ATOM 0 HB VAL A 116 -8.074 -4.201 -6.820 1.00 0.19 H new ATOM 0 HG11 VAL A 116 -7.943 -6.639 -6.998 1.00 0.22 H new ATOM 0 HG12 VAL A 116 -6.350 -5.862 -7.152 1.00 0.22 H new ATOM 0 HG13 VAL A 116 -6.803 -6.669 -5.632 1.00 0.22 H new ATOM 0 HG21 VAL A 116 -9.709 -5.620 -5.644 1.00 0.23 H new ATOM 0 HG22 VAL A 116 -8.685 -5.579 -4.189 1.00 0.23 H new ATOM 0 HG23 VAL A 116 -9.425 -4.080 -4.799 1.00 0.23 H new ATOM 1390 N LEU A 117 -6.825 -3.912 -2.809 1.00 0.11 N ATOM 1391 CA LEU A 117 -6.675 -4.379 -1.444 1.00 0.11 C ATOM 1392 C LEU A 117 -7.688 -5.492 -1.194 1.00 0.12 C ATOM 1393 O LEU A 117 -8.882 -5.272 -1.368 1.00 0.16 O ATOM 1394 CB LEU A 117 -6.892 -3.197 -0.490 1.00 0.15 C ATOM 1395 CG LEU A 117 -5.719 -2.199 -0.354 1.00 0.13 C ATOM 1396 CD1 LEU A 117 -4.752 -2.270 -1.528 1.00 0.26 C ATOM 1397 CD2 LEU A 117 -6.245 -0.779 -0.213 1.00 0.24 C ATOM 0 H LEU A 117 -7.316 -3.022 -2.887 1.00 0.11 H new ATOM 0 HA LEU A 117 -5.675 -4.778 -1.273 1.00 0.11 H new ATOM 0 HB2 LEU A 117 -7.772 -2.647 -0.823 1.00 0.15 H new ATOM 0 HB3 LEU A 117 -7.119 -3.594 0.499 1.00 0.15 H new ATOM 0 HG LEU A 117 -5.169 -2.482 0.544 1.00 0.13 H new ATOM 0 HD11 LEU A 117 -3.948 -1.549 -1.381 1.00 0.26 H new ATOM 0 HD12 LEU A 117 -4.332 -3.274 -1.593 1.00 0.26 H new ATOM 0 HD13 LEU A 117 -5.283 -2.039 -2.451 1.00 0.26 H new ATOM 0 HD21 LEU A 117 -5.407 -0.088 -0.118 1.00 0.24 H new ATOM 0 HD22 LEU A 117 -6.832 -0.519 -1.094 1.00 0.24 H new ATOM 0 HD23 LEU A 117 -6.874 -0.710 0.675 1.00 0.24 H new ATOM 1409 N LYS A 118 -7.201 -6.680 -0.810 1.00 0.14 N ATOM 1410 CA LYS A 118 -8.018 -7.897 -0.694 1.00 0.18 C ATOM 1411 C LYS A 118 -7.123 -9.123 -0.802 1.00 0.22 C ATOM 1412 O LYS A 118 -5.976 -9.029 -1.231 1.00 0.27 O ATOM 1413 CB LYS A 118 -9.107 -7.992 -1.783 1.00 0.20 C ATOM 1414 CG LYS A 118 -10.509 -7.636 -1.291 1.00 0.19 C ATOM 1415 CD LYS A 118 -11.562 -7.828 -2.370 1.00 0.34 C ATOM 1416 CE LYS A 118 -11.466 -6.776 -3.461 1.00 0.39 C ATOM 1417 NZ LYS A 118 -12.338 -7.105 -4.622 1.00 0.80 N ATOM 0 H LYS A 118 -6.221 -6.825 -0.569 1.00 0.14 H new ATOM 0 HA LYS A 118 -8.514 -7.852 0.275 1.00 0.18 H new ATOM 0 HB2 LYS A 118 -8.842 -7.328 -2.606 1.00 0.20 H new ATOM 0 HB3 LYS A 118 -9.120 -9.006 -2.183 1.00 0.20 H new ATOM 0 HG2 LYS A 118 -10.758 -8.255 -0.429 1.00 0.19 H new ATOM 0 HG3 LYS A 118 -10.522 -6.600 -0.954 1.00 0.19 H new ATOM 0 HD2 LYS A 118 -11.450 -8.818 -2.812 1.00 0.34 H new ATOM 0 HD3 LYS A 118 -12.553 -7.791 -1.918 1.00 0.34 H new ATOM 0 HE2 LYS A 118 -11.750 -5.805 -3.056 1.00 0.39 H new ATOM 0 HE3 LYS A 118 -10.432 -6.692 -3.795 1.00 0.39 H new ATOM 0 HZ1 LYS A 118 -11.925 -6.707 -5.490 1.00 0.80 H new ATOM 0 HZ2 LYS A 118 -12.415 -8.138 -4.717 1.00 0.80 H new ATOM 0 HZ3 LYS A 118 -13.284 -6.700 -4.471 1.00 0.80 H new ATOM 1431 N GLY A 119 -7.655 -10.265 -0.408 1.00 0.31 N ATOM 1432 CA GLY A 119 -6.941 -11.515 -0.557 1.00 0.38 C ATOM 1433 C GLY A 119 -7.868 -12.695 -0.372 1.00 0.53 C ATOM 1434 O GLY A 119 -9.082 -12.552 -0.518 1.00 0.85 O ATOM 0 H GLY A 119 -8.578 -10.351 0.017 1.00 0.31 H new ATOM 0 HA2 GLY A 119 -6.482 -11.560 -1.545 1.00 0.38 H new ATOM 0 HA3 GLY A 119 -6.133 -11.565 0.173 1.00 0.38 H new ATOM 1519 N THR A 125 -6.124 -7.296 8.266 1.00 0.54 N ATOM 1520 CA THR A 125 -4.932 -6.983 7.496 1.00 0.40 C ATOM 1521 C THR A 125 -5.299 -6.588 6.061 1.00 0.29 C ATOM 1522 O THR A 125 -6.332 -7.011 5.535 1.00 0.34 O ATOM 1523 CB THR A 125 -3.971 -8.190 7.471 1.00 0.39 C ATOM 1524 OG1 THR A 125 -3.823 -8.730 8.791 1.00 0.51 O ATOM 1525 CG2 THR A 125 -2.613 -7.778 6.942 1.00 0.37 C ATOM 0 HA THR A 125 -4.435 -6.141 7.977 1.00 0.40 H new ATOM 0 HB THR A 125 -4.393 -8.949 6.813 1.00 0.39 H new ATOM 0 HG1 THR A 125 -4.671 -8.646 9.276 1.00 0.51 H new ATOM 0 HG21 THR A 125 -1.949 -8.642 6.932 1.00 0.37 H new ATOM 0 HG22 THR A 125 -2.720 -7.390 5.929 1.00 0.37 H new ATOM 0 HG23 THR A 125 -2.192 -7.004 7.584 1.00 0.37 H new ATOM 1533 N ILE A 126 -4.458 -5.775 5.434 1.00 0.22 N ATOM 1534 CA ILE A 126 -4.704 -5.319 4.073 1.00 0.15 C ATOM 1535 C ILE A 126 -3.711 -5.979 3.121 1.00 0.14 C ATOM 1536 O ILE A 126 -2.536 -6.104 3.442 1.00 0.19 O ATOM 1537 CB ILE A 126 -4.580 -3.782 3.964 1.00 0.13 C ATOM 1538 CG1 ILE A 126 -5.239 -3.119 5.187 1.00 0.16 C ATOM 1539 CG2 ILE A 126 -5.230 -3.298 2.681 1.00 0.12 C ATOM 1540 CD1 ILE A 126 -5.287 -1.602 5.148 1.00 0.16 C ATOM 0 H ILE A 126 -3.597 -5.417 5.848 1.00 0.22 H new ATOM 0 HA ILE A 126 -5.722 -5.600 3.802 1.00 0.15 H new ATOM 0 HB ILE A 126 -3.526 -3.507 3.942 1.00 0.13 H new ATOM 0 HG12 ILE A 126 -6.257 -3.497 5.282 1.00 0.16 H new ATOM 0 HG13 ILE A 126 -4.700 -3.427 6.083 1.00 0.16 H new ATOM 0 HG21 ILE A 126 -5.138 -2.214 2.613 1.00 0.12 H new ATOM 0 HG22 ILE A 126 -4.735 -3.759 1.826 1.00 0.12 H new ATOM 0 HG23 ILE A 126 -6.285 -3.573 2.681 1.00 0.12 H new ATOM 0 HD11 ILE A 126 -5.769 -1.230 6.052 1.00 0.16 H new ATOM 0 HD12 ILE A 126 -4.273 -1.207 5.089 1.00 0.16 H new ATOM 0 HD13 ILE A 126 -5.854 -1.278 4.275 1.00 0.16 H new ATOM 1552 N LEU A 127 -4.177 -6.414 1.961 1.00 0.12 N ATOM 1553 CA LEU A 127 -3.309 -7.114 1.018 1.00 0.12 C ATOM 1554 C LEU A 127 -3.312 -6.413 -0.334 1.00 0.11 C ATOM 1555 O LEU A 127 -4.335 -5.896 -0.765 1.00 0.12 O ATOM 1556 CB LEU A 127 -3.739 -8.577 0.866 1.00 0.15 C ATOM 1557 CG LEU A 127 -3.999 -9.309 2.180 1.00 0.19 C ATOM 1558 CD1 LEU A 127 -4.596 -10.691 1.931 1.00 0.26 C ATOM 1559 CD2 LEU A 127 -2.710 -9.403 2.972 1.00 0.20 C ATOM 0 H LEU A 127 -5.141 -6.298 1.649 1.00 0.12 H new ATOM 0 HA LEU A 127 -2.293 -7.097 1.413 1.00 0.12 H new ATOM 0 HB2 LEU A 127 -4.645 -8.613 0.261 1.00 0.15 H new ATOM 0 HB3 LEU A 127 -2.966 -9.113 0.315 1.00 0.15 H new ATOM 0 HG LEU A 127 -4.728 -8.744 2.761 1.00 0.19 H new ATOM 0 HD11 LEU A 127 -4.771 -11.189 2.885 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -5.541 -10.588 1.397 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -3.904 -11.284 1.333 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -2.897 -9.926 3.910 1.00 0.20 H new ATOM 0 HD22 LEU A 127 -1.966 -9.951 2.393 1.00 0.20 H new ATOM 0 HD23 LEU A 127 -2.339 -8.400 3.183 1.00 0.20 H new ATOM 1571 N ILE A 128 -2.157 -6.392 -0.980 1.00 0.11 N ATOM 1572 CA ILE A 128 -1.968 -5.643 -2.228 1.00 0.11 C ATOM 1573 C ILE A 128 -1.804 -6.580 -3.430 1.00 0.13 C ATOM 1574 O ILE A 128 -0.833 -7.340 -3.515 1.00 0.15 O ATOM 1575 CB ILE A 128 -0.726 -4.730 -2.130 1.00 0.10 C ATOM 1576 CG1 ILE A 128 -0.887 -3.713 -1.004 1.00 0.12 C ATOM 1577 CG2 ILE A 128 -0.458 -4.025 -3.449 1.00 0.11 C ATOM 1578 CD1 ILE A 128 0.300 -2.787 -0.854 1.00 0.12 C ATOM 0 H ILE A 128 -1.324 -6.888 -0.663 1.00 0.11 H new ATOM 0 HA ILE A 128 -2.862 -5.037 -2.376 1.00 0.11 H new ATOM 0 HB ILE A 128 0.133 -5.362 -1.903 1.00 0.10 H new ATOM 0 HG12 ILE A 128 -1.781 -3.118 -1.188 1.00 0.12 H new ATOM 0 HG13 ILE A 128 -1.045 -4.244 -0.065 1.00 0.12 H new ATOM 0 HG21 ILE A 128 0.422 -3.389 -3.350 1.00 0.11 H new ATOM 0 HG22 ILE A 128 -0.284 -4.766 -4.229 1.00 0.11 H new ATOM 0 HG23 ILE A 128 -1.319 -3.413 -3.716 1.00 0.11 H new ATOM 0 HD11 ILE A 128 0.117 -2.091 -0.036 1.00 0.12 H new ATOM 0 HD12 ILE A 128 1.194 -3.373 -0.639 1.00 0.12 H new ATOM 0 HD13 ILE A 128 0.446 -2.229 -1.779 1.00 0.12 H new ATOM 1590 N GLU A 129 -2.730 -6.496 -4.377 1.00 0.15 N ATOM 1591 CA GLU A 129 -2.755 -7.396 -5.510 1.00 0.19 C ATOM 1592 C GLU A 129 -3.032 -6.635 -6.814 1.00 0.17 C ATOM 1593 O GLU A 129 -3.819 -5.692 -6.838 1.00 0.19 O ATOM 1594 CB GLU A 129 -3.838 -8.453 -5.267 1.00 0.27 C ATOM 1595 CG GLU A 129 -4.517 -8.918 -6.534 1.00 0.34 C ATOM 1596 CD GLU A 129 -5.562 -9.991 -6.300 1.00 0.80 C ATOM 1597 OE1 GLU A 129 -5.181 -11.122 -5.938 1.00 1.62 O ATOM 1598 OE2 GLU A 129 -6.769 -9.702 -6.451 1.00 0.71 O ATOM 0 H GLU A 129 -3.479 -5.804 -4.377 1.00 0.15 H new ATOM 0 HA GLU A 129 -1.781 -7.875 -5.613 1.00 0.19 H new ATOM 0 HB2 GLU A 129 -3.391 -9.312 -4.767 1.00 0.27 H new ATOM 0 HB3 GLU A 129 -4.588 -8.045 -4.590 1.00 0.27 H new ATOM 0 HG2 GLU A 129 -4.988 -8.063 -7.020 1.00 0.34 H new ATOM 0 HG3 GLU A 129 -3.763 -9.300 -7.222 1.00 0.34 H new ATOM 1605 N LYS A 130 -2.363 -7.049 -7.883 1.00 0.18 N ATOM 1606 CA LYS A 130 -2.637 -6.559 -9.230 1.00 0.21 C ATOM 1607 C LYS A 130 -2.012 -7.528 -10.226 1.00 0.29 C ATOM 1608 O LYS A 130 -1.047 -8.210 -9.882 1.00 0.31 O ATOM 1609 CB LYS A 130 -2.188 -5.086 -9.452 1.00 0.16 C ATOM 1610 CG LYS A 130 -0.696 -4.778 -9.292 1.00 0.19 C ATOM 1611 CD LYS A 130 0.117 -5.193 -10.500 1.00 0.25 C ATOM 1612 CE LYS A 130 -0.147 -4.264 -11.670 1.00 0.25 C ATOM 1613 NZ LYS A 130 0.591 -4.672 -12.895 1.00 0.39 N ATOM 0 H LYS A 130 -1.611 -7.737 -7.841 1.00 0.18 H new ATOM 0 HA LYS A 130 -3.716 -6.529 -9.384 1.00 0.21 H new ATOM 0 HB2 LYS A 130 -2.489 -4.789 -10.457 1.00 0.16 H new ATOM 0 HB3 LYS A 130 -2.740 -4.456 -8.755 1.00 0.16 H new ATOM 0 HG2 LYS A 130 -0.566 -3.709 -9.121 1.00 0.19 H new ATOM 0 HG3 LYS A 130 -0.316 -5.291 -8.409 1.00 0.19 H new ATOM 0 HD2 LYS A 130 1.178 -5.181 -10.252 1.00 0.25 H new ATOM 0 HD3 LYS A 130 -0.133 -6.217 -10.779 1.00 0.25 H new ATOM 0 HE2 LYS A 130 -1.216 -4.246 -11.882 1.00 0.25 H new ATOM 0 HE3 LYS A 130 0.141 -3.249 -11.397 1.00 0.25 H new ATOM 0 HZ1 LYS A 130 0.750 -3.840 -13.498 1.00 0.39 H new ATOM 0 HZ2 LYS A 130 1.507 -5.086 -12.627 1.00 0.39 H new ATOM 0 HZ3 LYS A 130 0.033 -5.377 -13.418 1.00 0.39 H new ATOM 1627 N ASP A 131 -2.603 -7.621 -11.420 1.00 0.38 N ATOM 1628 CA ASP A 131 -2.262 -8.644 -12.434 1.00 0.49 C ATOM 1629 C ASP A 131 -2.975 -9.946 -12.115 1.00 0.47 C ATOM 1630 O ASP A 131 -2.633 -11.000 -12.649 1.00 0.52 O ATOM 1631 CB ASP A 131 -0.757 -8.935 -12.554 1.00 0.55 C ATOM 1632 CG ASP A 131 0.078 -7.739 -12.930 1.00 0.76 C ATOM 1633 OD1 ASP A 131 -0.229 -7.105 -13.959 1.00 1.03 O ATOM 1634 OD2 ASP A 131 1.039 -7.416 -12.206 1.00 1.13 O ATOM 0 H ASP A 131 -3.341 -6.985 -11.721 1.00 0.38 H new ATOM 0 HA ASP A 131 -2.588 -8.229 -13.388 1.00 0.49 H new ATOM 0 HB2 ASP A 131 -0.398 -9.329 -11.603 1.00 0.55 H new ATOM 0 HB3 ASP A 131 -0.608 -9.716 -13.300 1.00 0.55 H new ATOM 1639 N GLY A 132 -3.966 -9.872 -11.240 1.00 0.48 N ATOM 1640 CA GLY A 132 -4.679 -11.064 -10.838 1.00 0.51 C ATOM 1641 C GLY A 132 -3.900 -11.900 -9.840 1.00 0.45 C ATOM 1642 O GLY A 132 -4.048 -13.124 -9.801 1.00 0.52 O ATOM 0 H GLY A 132 -4.288 -9.009 -10.802 1.00 0.48 H new ATOM 0 HA2 GLY A 132 -5.636 -10.780 -10.400 1.00 0.51 H new ATOM 0 HA3 GLY A 132 -4.898 -11.667 -11.719 1.00 0.51 H new ATOM 1646 N GLU A 133 -3.056 -11.248 -9.046 1.00 0.47 N ATOM 1647 CA GLU A 133 -2.334 -11.930 -7.980 1.00 0.45 C ATOM 1648 C GLU A 133 -1.807 -10.930 -6.968 1.00 0.33 C ATOM 1649 O GLU A 133 -1.509 -9.778 -7.302 1.00 0.30 O ATOM 1650 CB GLU A 133 -1.168 -12.766 -8.511 1.00 0.54 C ATOM 1651 CG GLU A 133 0.134 -11.996 -8.647 1.00 0.56 C ATOM 1652 CD GLU A 133 1.279 -12.855 -9.142 1.00 0.76 C ATOM 1653 OE1 GLU A 133 1.639 -13.827 -8.447 1.00 1.31 O ATOM 1654 OE2 GLU A 133 1.824 -12.561 -10.228 1.00 1.24 O ATOM 0 H GLU A 133 -2.856 -10.251 -9.121 1.00 0.47 H new ATOM 0 HA GLU A 133 -3.046 -12.603 -7.503 1.00 0.45 H new ATOM 0 HB2 GLU A 133 -1.009 -13.613 -7.844 1.00 0.54 H new ATOM 0 HB3 GLU A 133 -1.440 -13.173 -9.485 1.00 0.54 H new ATOM 0 HG2 GLU A 133 -0.013 -11.163 -9.335 1.00 0.56 H new ATOM 0 HG3 GLU A 133 0.399 -11.568 -7.680 1.00 0.56 H new ATOM 1661 N VAL A 134 -1.701 -11.381 -5.736 1.00 0.32 N ATOM 1662 CA VAL A 134 -1.169 -10.562 -4.662 1.00 0.24 C ATOM 1663 C VAL A 134 0.344 -10.670 -4.647 1.00 0.22 C ATOM 1664 O VAL A 134 0.907 -11.756 -4.811 1.00 0.27 O ATOM 1665 CB VAL A 134 -1.740 -10.957 -3.283 1.00 0.24 C ATOM 1666 CG1 VAL A 134 -1.487 -12.414 -3.013 1.00 0.26 C ATOM 1667 CG2 VAL A 134 -1.168 -10.090 -2.173 1.00 0.21 C ATOM 0 H VAL A 134 -1.979 -12.320 -5.449 1.00 0.32 H new ATOM 0 HA VAL A 134 -1.471 -9.532 -4.851 1.00 0.24 H new ATOM 0 HB VAL A 134 -2.817 -10.789 -3.303 1.00 0.24 H new ATOM 0 HG11 VAL A 134 -1.895 -12.679 -2.038 1.00 0.26 H new ATOM 0 HG12 VAL A 134 -1.969 -13.016 -3.784 1.00 0.26 H new ATOM 0 HG13 VAL A 134 -0.414 -12.605 -3.022 1.00 0.26 H new ATOM 0 HG21 VAL A 134 -1.592 -10.396 -1.217 1.00 0.21 H new ATOM 0 HG22 VAL A 134 -0.085 -10.205 -2.143 1.00 0.21 H new ATOM 0 HG23 VAL A 134 -1.417 -9.046 -2.362 1.00 0.21 H new ATOM 1677 N LYS A 135 0.998 -9.542 -4.491 1.00 0.19 N ATOM 1678 CA LYS A 135 2.446 -9.504 -4.499 1.00 0.21 C ATOM 1679 C LYS A 135 2.964 -8.516 -3.464 1.00 0.17 C ATOM 1680 O LYS A 135 4.169 -8.342 -3.303 1.00 0.18 O ATOM 1681 CB LYS A 135 2.941 -9.144 -5.897 1.00 0.29 C ATOM 1682 CG LYS A 135 2.232 -7.940 -6.487 1.00 0.34 C ATOM 1683 CD LYS A 135 1.371 -8.345 -7.668 1.00 0.29 C ATOM 1684 CE LYS A 135 2.236 -8.631 -8.891 1.00 0.52 C ATOM 1685 NZ LYS A 135 1.448 -9.126 -10.048 1.00 1.03 N ATOM 0 H LYS A 135 0.551 -8.635 -4.357 1.00 0.19 H new ATOM 0 HA LYS A 135 2.830 -10.489 -4.235 1.00 0.21 H new ATOM 0 HB2 LYS A 135 4.012 -8.944 -5.857 1.00 0.29 H new ATOM 0 HB3 LYS A 135 2.801 -10.000 -6.557 1.00 0.29 H new ATOM 0 HG2 LYS A 135 1.612 -7.468 -5.725 1.00 0.34 H new ATOM 0 HG3 LYS A 135 2.966 -7.200 -6.804 1.00 0.34 H new ATOM 0 HD2 LYS A 135 0.788 -9.230 -7.413 1.00 0.29 H new ATOM 0 HD3 LYS A 135 0.661 -7.550 -7.896 1.00 0.29 H new ATOM 0 HE2 LYS A 135 2.763 -7.721 -9.178 1.00 0.52 H new ATOM 0 HE3 LYS A 135 2.994 -9.370 -8.630 1.00 0.52 H new ATOM 0 HZ1 LYS A 135 1.763 -10.085 -10.298 1.00 1.03 H new ATOM 0 HZ2 LYS A 135 0.439 -9.147 -9.797 1.00 1.03 H new ATOM 0 HZ3 LYS A 135 1.590 -8.493 -10.861 1.00 1.03 H new ATOM 1699 N LEU A 136 2.041 -7.891 -2.750 1.00 0.14 N ATOM 1700 CA LEU A 136 2.380 -6.967 -1.691 1.00 0.14 C ATOM 1701 C LEU A 136 1.295 -7.036 -0.617 1.00 0.14 C ATOM 1702 O LEU A 136 0.211 -7.546 -0.874 1.00 0.14 O ATOM 1703 CB LEU A 136 2.471 -5.555 -2.264 1.00 0.14 C ATOM 1704 CG LEU A 136 3.572 -4.662 -1.700 1.00 0.13 C ATOM 1705 CD1 LEU A 136 4.948 -5.290 -1.882 1.00 0.16 C ATOM 1706 CD2 LEU A 136 3.511 -3.314 -2.384 1.00 0.14 C ATOM 0 H LEU A 136 1.038 -8.013 -2.892 1.00 0.14 H new ATOM 0 HA LEU A 136 3.342 -7.229 -1.251 1.00 0.14 H new ATOM 0 HB2 LEU A 136 2.613 -5.633 -3.342 1.00 0.14 H new ATOM 0 HB3 LEU A 136 1.514 -5.059 -2.104 1.00 0.14 H new ATOM 0 HG LEU A 136 3.411 -4.541 -0.629 1.00 0.13 H new ATOM 0 HD11 LEU A 136 5.708 -4.627 -1.469 1.00 0.16 H new ATOM 0 HD12 LEU A 136 4.982 -6.248 -1.364 1.00 0.16 H new ATOM 0 HD13 LEU A 136 5.140 -5.445 -2.944 1.00 0.16 H new ATOM 0 HD21 LEU A 136 4.295 -2.669 -1.987 1.00 0.14 H new ATOM 0 HD22 LEU A 136 3.656 -3.443 -3.457 1.00 0.14 H new ATOM 0 HD23 LEU A 136 2.538 -2.857 -2.202 1.00 0.14 H new ATOM 1718 N LYS A 137 1.590 -6.576 0.587 1.00 0.17 N ATOM 1719 CA LYS A 137 0.587 -6.506 1.648 1.00 0.20 C ATOM 1720 C LYS A 137 0.835 -5.298 2.532 1.00 0.18 C ATOM 1721 O LYS A 137 1.920 -4.723 2.519 1.00 0.22 O ATOM 1722 CB LYS A 137 0.604 -7.746 2.555 1.00 0.31 C ATOM 1723 CG LYS A 137 0.849 -9.069 1.854 1.00 0.35 C ATOM 1724 CD LYS A 137 0.543 -10.233 2.769 1.00 0.28 C ATOM 1725 CE LYS A 137 1.345 -10.142 4.060 1.00 0.31 C ATOM 1726 NZ LYS A 137 1.195 -11.356 4.896 1.00 0.76 N ATOM 0 H LYS A 137 2.515 -6.244 0.859 1.00 0.17 H new ATOM 0 HA LYS A 137 -0.379 -6.440 1.146 1.00 0.20 H new ATOM 0 HB2 LYS A 137 1.375 -7.609 3.313 1.00 0.31 H new ATOM 0 HB3 LYS A 137 -0.350 -7.804 3.078 1.00 0.31 H new ATOM 0 HG2 LYS A 137 0.228 -9.131 0.960 1.00 0.35 H new ATOM 0 HG3 LYS A 137 1.887 -9.124 1.525 1.00 0.35 H new ATOM 0 HD2 LYS A 137 -0.522 -10.248 2.999 1.00 0.28 H new ATOM 0 HD3 LYS A 137 0.772 -11.169 2.260 1.00 0.28 H new ATOM 0 HE2 LYS A 137 2.398 -9.994 3.822 1.00 0.31 H new ATOM 0 HE3 LYS A 137 1.021 -9.269 4.627 1.00 0.31 H new ATOM 0 HZ1 LYS A 137 1.757 -11.251 5.764 1.00 0.76 H new ATOM 0 HZ2 LYS A 137 0.194 -11.484 5.145 1.00 0.76 H new ATOM 0 HZ3 LYS A 137 1.529 -12.186 4.366 1.00 0.76 H new ATOM 1740 N LEU A 138 -0.184 -4.911 3.278 1.00 0.18 N ATOM 1741 CA LEU A 138 -0.020 -3.986 4.381 1.00 0.20 C ATOM 1742 C LEU A 138 -0.106 -4.777 5.672 1.00 0.21 C ATOM 1743 O LEU A 138 -1.134 -5.390 5.950 1.00 0.22 O ATOM 1744 CB LEU A 138 -1.073 -2.867 4.372 1.00 0.19 C ATOM 1745 CG LEU A 138 -1.077 -1.923 3.154 1.00 0.19 C ATOM 1746 CD1 LEU A 138 0.334 -1.536 2.722 1.00 0.21 C ATOM 1747 CD2 LEU A 138 -1.841 -2.539 1.997 1.00 0.17 C ATOM 0 H LEU A 138 -1.143 -5.228 3.136 1.00 0.18 H new ATOM 0 HA LEU A 138 0.949 -3.497 4.286 1.00 0.20 H new ATOM 0 HB2 LEU A 138 -2.058 -3.328 4.447 1.00 0.19 H new ATOM 0 HB3 LEU A 138 -0.934 -2.263 5.269 1.00 0.19 H new ATOM 0 HG LEU A 138 -1.584 -1.008 3.460 1.00 0.19 H new ATOM 0 HD11 LEU A 138 0.281 -0.870 1.861 1.00 0.21 H new ATOM 0 HD12 LEU A 138 0.839 -1.028 3.543 1.00 0.21 H new ATOM 0 HD13 LEU A 138 0.891 -2.433 2.453 1.00 0.21 H new ATOM 0 HD21 LEU A 138 -1.830 -1.855 1.149 1.00 0.17 H new ATOM 0 HD22 LEU A 138 -1.371 -3.480 1.710 1.00 0.17 H new ATOM 0 HD23 LEU A 138 -2.871 -2.726 2.300 1.00 0.17 H new ATOM 1759 N ILE A 139 0.992 -4.765 6.431 1.00 0.27 N ATOM 1760 CA ILE A 139 1.157 -5.520 7.666 1.00 0.30 C ATOM 1761 C ILE A 139 1.645 -6.941 7.381 1.00 0.37 C ATOM 1762 O ILE A 139 1.207 -7.593 6.429 1.00 0.42 O ATOM 1763 CB ILE A 139 -0.114 -5.600 8.523 1.00 0.27 C ATOM 1764 CG1 ILE A 139 -0.780 -4.237 8.693 1.00 0.31 C ATOM 1765 CG2 ILE A 139 0.254 -6.160 9.869 1.00 0.35 C ATOM 1766 CD1 ILE A 139 -2.205 -4.351 9.145 1.00 0.41 C ATOM 0 H ILE A 139 1.814 -4.211 6.192 1.00 0.27 H new ATOM 0 HA ILE A 139 1.902 -4.965 8.236 1.00 0.30 H new ATOM 0 HB ILE A 139 -0.832 -6.246 8.017 1.00 0.27 H new ATOM 0 HG12 ILE A 139 -0.218 -3.648 9.418 1.00 0.31 H new ATOM 0 HG13 ILE A 139 -0.744 -3.697 7.747 1.00 0.31 H new ATOM 0 HG21 ILE A 139 -0.638 -6.224 10.493 1.00 0.35 H new ATOM 0 HG22 ILE A 139 0.682 -7.155 9.745 1.00 0.35 H new ATOM 0 HG23 ILE A 139 0.985 -5.508 10.347 1.00 0.35 H new ATOM 0 HD11 ILE A 139 -2.634 -3.355 9.251 1.00 0.41 H new ATOM 0 HD12 ILE A 139 -2.776 -4.915 8.408 1.00 0.41 H new ATOM 0 HD13 ILE A 139 -2.242 -4.866 10.105 1.00 0.41 H new ATOM 1847 N GLU B 554 -15.708 -7.146 2.663 1.00 0.36 N ATOM 1848 CA GLU B 554 -14.957 -8.214 2.018 1.00 0.33 C ATOM 1849 C GLU B 554 -13.817 -8.630 2.951 1.00 0.35 C ATOM 1850 O GLU B 554 -13.722 -8.086 4.052 1.00 0.40 O ATOM 1851 CB GLU B 554 -14.451 -7.702 0.671 1.00 0.32 C ATOM 1852 CG GLU B 554 -13.870 -8.762 -0.233 1.00 0.29 C ATOM 1853 CD GLU B 554 -14.684 -10.035 -0.261 1.00 0.46 C ATOM 1854 OE1 GLU B 554 -15.711 -10.056 -0.966 1.00 0.65 O ATOM 1855 OE2 GLU B 554 -14.313 -11.004 0.426 1.00 0.63 O ATOM 0 HA GLU B 554 -15.575 -9.092 1.830 1.00 0.33 H new ATOM 0 HB2 GLU B 554 -15.275 -7.214 0.151 1.00 0.32 H new ATOM 0 HB3 GLU B 554 -13.691 -6.941 0.850 1.00 0.32 H new ATOM 0 HG2 GLU B 554 -13.794 -8.365 -1.245 1.00 0.29 H new ATOM 0 HG3 GLU B 554 -12.857 -8.994 0.095 1.00 0.29 H new ATOM 1862 N THR B 555 -12.982 -9.591 2.535 1.00 0.33 N ATOM 1863 CA THR B 555 -11.825 -10.010 3.321 1.00 0.35 C ATOM 1864 C THR B 555 -11.068 -8.785 3.803 1.00 0.34 C ATOM 1865 O THR B 555 -10.984 -8.522 5.000 1.00 0.45 O ATOM 1866 CB THR B 555 -10.908 -10.972 2.513 1.00 0.36 C ATOM 1867 OG1 THR B 555 -9.673 -11.188 3.202 1.00 0.45 O ATOM 1868 CG2 THR B 555 -10.626 -10.459 1.104 1.00 0.30 C ATOM 0 H THR B 555 -13.091 -10.092 1.653 1.00 0.33 H new ATOM 0 HA THR B 555 -12.172 -10.568 4.191 1.00 0.35 H new ATOM 0 HB THR B 555 -11.446 -11.915 2.422 1.00 0.36 H new ATOM 0 HG1 THR B 555 -9.109 -11.797 2.680 1.00 0.45 H new ATOM 0 HG21 THR B 555 -9.982 -11.166 0.581 1.00 0.30 H new ATOM 0 HG22 THR B 555 -11.565 -10.353 0.561 1.00 0.30 H new ATOM 0 HG23 THR B 555 -10.129 -9.490 1.162 1.00 0.30 H new ATOM 1876 N THR B 556 -10.594 -8.006 2.865 1.00 0.26 N ATOM 1877 CA THR B 556 -9.960 -6.755 3.161 1.00 0.23 C ATOM 1878 C THR B 556 -10.801 -5.642 2.586 1.00 0.21 C ATOM 1879 O THR B 556 -11.159 -4.689 3.274 1.00 0.22 O ATOM 1880 CB THR B 556 -8.566 -6.691 2.536 1.00 0.20 C ATOM 1881 OG1 THR B 556 -7.724 -7.699 3.099 1.00 0.24 O ATOM 1882 CG2 THR B 556 -7.958 -5.328 2.745 1.00 0.20 C ATOM 0 H THR B 556 -10.639 -8.226 1.870 1.00 0.26 H new ATOM 0 HA THR B 556 -9.865 -6.654 4.242 1.00 0.23 H new ATOM 0 HB THR B 556 -8.658 -6.870 1.465 1.00 0.20 H new ATOM 0 HG1 THR B 556 -7.317 -7.362 3.925 1.00 0.24 H new ATOM 0 HG21 THR B 556 -6.966 -5.299 2.294 1.00 0.20 H new ATOM 0 HG22 THR B 556 -8.590 -4.572 2.279 1.00 0.20 H new ATOM 0 HG23 THR B 556 -7.877 -5.125 3.813 1.00 0.20 H new ATOM 1890 N LEU B 557 -11.134 -5.819 1.311 1.00 0.20 N ATOM 1891 CA LEU B 557 -11.891 -4.854 0.548 1.00 0.19 C ATOM 1892 C LEU B 557 -11.075 -3.595 0.335 1.00 0.17 C ATOM 1893 O LEU B 557 -9.854 -3.655 0.354 1.00 0.18 O ATOM 1894 CB LEU B 557 -13.215 -4.528 1.226 1.00 0.21 C ATOM 1895 CG LEU B 557 -14.404 -4.506 0.283 1.00 0.21 C ATOM 1896 CD1 LEU B 557 -15.242 -3.288 0.570 1.00 0.23 C ATOM 1897 CD2 LEU B 557 -13.939 -4.552 -1.170 1.00 0.20 C ATOM 0 H LEU B 557 -10.878 -6.651 0.779 1.00 0.20 H new ATOM 0 HA LEU B 557 -12.116 -5.294 -0.424 1.00 0.19 H new ATOM 0 HB2 LEU B 557 -13.400 -5.262 2.010 1.00 0.21 H new ATOM 0 HB3 LEU B 557 -13.132 -3.556 1.712 1.00 0.21 H new ATOM 0 HG LEU B 557 -15.020 -5.391 0.445 1.00 0.21 H new ATOM 0 HD11 LEU B 557 -16.098 -3.268 -0.105 1.00 0.23 H new ATOM 0 HD12 LEU B 557 -15.594 -3.323 1.601 1.00 0.23 H new ATOM 0 HD13 LEU B 557 -14.642 -2.390 0.422 1.00 0.23 H new ATOM 0 HD21 LEU B 557 -14.806 -4.535 -1.830 1.00 0.20 H new ATOM 0 HD22 LEU B 557 -13.308 -3.688 -1.378 1.00 0.20 H new ATOM 0 HD23 LEU B 557 -13.370 -5.466 -1.341 1.00 0.20 H new ATOM 1909 N LEU B 558 -11.777 -2.472 0.159 1.00 0.18 N ATOM 1910 CA LEU B 558 -11.176 -1.161 -0.116 1.00 0.18 C ATOM 1911 C LEU B 558 -11.064 -0.947 -1.615 1.00 0.19 C ATOM 1912 O LEU B 558 -9.980 -0.748 -2.160 1.00 0.23 O ATOM 1913 CB LEU B 558 -9.812 -0.978 0.580 1.00 0.16 C ATOM 1914 CG LEU B 558 -9.843 -0.728 2.099 1.00 0.16 C ATOM 1915 CD1 LEU B 558 -10.821 -1.646 2.798 1.00 0.17 C ATOM 1916 CD2 LEU B 558 -8.458 -0.921 2.688 1.00 0.16 C ATOM 0 H LEU B 558 -12.796 -2.446 0.204 1.00 0.18 H new ATOM 0 HA LEU B 558 -11.835 -0.400 0.303 1.00 0.18 H new ATOM 0 HB2 LEU B 558 -9.212 -1.868 0.393 1.00 0.16 H new ATOM 0 HB3 LEU B 558 -9.297 -0.142 0.107 1.00 0.16 H new ATOM 0 HG LEU B 558 -10.171 0.300 2.255 1.00 0.16 H new ATOM 0 HD11 LEU B 558 -10.814 -1.439 3.868 1.00 0.17 H new ATOM 0 HD12 LEU B 558 -11.823 -1.479 2.403 1.00 0.17 H new ATOM 0 HD13 LEU B 558 -10.532 -2.683 2.627 1.00 0.17 H new ATOM 0 HD21 LEU B 558 -8.491 -0.742 3.763 1.00 0.16 H new ATOM 0 HD22 LEU B 558 -8.122 -1.941 2.501 1.00 0.16 H new ATOM 0 HD23 LEU B 558 -7.765 -0.219 2.225 1.00 0.16 H new ATOM 1928 N GLU B 559 -12.219 -0.985 -2.266 1.00 0.19 N ATOM 1929 CA GLU B 559 -12.309 -0.789 -3.706 1.00 0.21 C ATOM 1930 C GLU B 559 -12.870 0.586 -4.015 1.00 0.24 C ATOM 1931 O GLU B 559 -12.846 1.052 -5.154 1.00 0.31 O ATOM 1932 CB GLU B 559 -13.176 -1.877 -4.333 1.00 0.22 C ATOM 1933 CG GLU B 559 -12.481 -3.216 -4.428 1.00 0.25 C ATOM 1934 CD GLU B 559 -13.362 -4.288 -5.027 1.00 0.29 C ATOM 1935 OE1 GLU B 559 -14.219 -4.832 -4.303 1.00 0.33 O ATOM 1936 OE2 GLU B 559 -13.225 -4.573 -6.232 1.00 0.38 O ATOM 0 H GLU B 559 -13.117 -1.152 -1.812 1.00 0.19 H new ATOM 0 HA GLU B 559 -11.309 -0.856 -4.133 1.00 0.21 H new ATOM 0 HB2 GLU B 559 -14.087 -1.989 -3.745 1.00 0.22 H new ATOM 0 HB3 GLU B 559 -13.478 -1.561 -5.331 1.00 0.22 H new ATOM 0 HG2 GLU B 559 -11.580 -3.111 -5.033 1.00 0.25 H new ATOM 0 HG3 GLU B 559 -12.162 -3.527 -3.433 1.00 0.25 H new ATOM 1943 N ASP B 560 -13.376 1.216 -2.975 1.00 0.25 N ATOM 1944 CA ASP B 560 -13.860 2.584 -3.038 1.00 0.31 C ATOM 1945 C ASP B 560 -13.491 3.275 -1.742 1.00 0.25 C ATOM 1946 O ASP B 560 -13.326 2.601 -0.726 1.00 0.26 O ATOM 1947 CB ASP B 560 -15.382 2.653 -3.227 1.00 0.45 C ATOM 1948 CG ASP B 560 -15.868 2.010 -4.513 1.00 0.74 C ATOM 1949 OD1 ASP B 560 -15.895 2.697 -5.557 1.00 0.90 O ATOM 1950 OD2 ASP B 560 -16.204 0.809 -4.492 1.00 0.95 O ATOM 0 H ASP B 560 -13.465 0.791 -2.052 1.00 0.25 H new ATOM 0 HA ASP B 560 -13.401 3.072 -3.898 1.00 0.31 H new ATOM 0 HB2 ASP B 560 -15.866 2.165 -2.382 1.00 0.45 H new ATOM 0 HB3 ASP B 560 -15.694 3.697 -3.213 1.00 0.45 H new ATOM 1955 N GLU B 561 -13.369 4.593 -1.760 1.00 0.26 N ATOM 1956 CA GLU B 561 -12.959 5.331 -0.568 1.00 0.26 C ATOM 1957 C GLU B 561 -13.900 5.024 0.592 1.00 0.26 C ATOM 1958 O GLU B 561 -13.462 4.733 1.704 1.00 0.29 O ATOM 1959 CB GLU B 561 -12.960 6.831 -0.841 1.00 0.30 C ATOM 1960 CG GLU B 561 -12.431 7.661 0.315 1.00 0.35 C ATOM 1961 CD GLU B 561 -12.887 9.099 0.243 1.00 0.45 C ATOM 1962 OE1 GLU B 561 -12.863 9.677 -0.860 1.00 0.69 O ATOM 1963 OE2 GLU B 561 -13.309 9.646 1.282 1.00 0.68 O ATOM 0 H GLU B 561 -13.546 5.174 -2.580 1.00 0.26 H new ATOM 0 HA GLU B 561 -11.948 5.019 -0.304 1.00 0.26 H new ATOM 0 HB2 GLU B 561 -12.357 7.031 -1.726 1.00 0.30 H new ATOM 0 HB3 GLU B 561 -13.977 7.149 -1.070 1.00 0.30 H new ATOM 0 HG2 GLU B 561 -12.764 7.223 1.256 1.00 0.35 H new ATOM 0 HG3 GLU B 561 -11.342 7.627 0.315 1.00 0.35 H new ATOM 1970 N LYS B 562 -15.190 5.073 0.292 1.00 0.30 N ATOM 1971 CA LYS B 562 -16.259 4.800 1.252 1.00 0.39 C ATOM 1972 C LYS B 562 -15.967 3.571 2.103 1.00 0.34 C ATOM 1973 O LYS B 562 -16.050 3.620 3.322 1.00 0.40 O ATOM 1974 CB LYS B 562 -17.547 4.562 0.470 1.00 0.51 C ATOM 1975 CG LYS B 562 -18.745 4.159 1.316 1.00 0.74 C ATOM 1976 CD LYS B 562 -19.899 3.688 0.440 1.00 1.73 C ATOM 1977 CE LYS B 562 -19.468 2.556 -0.484 1.00 2.39 C ATOM 1978 NZ LYS B 562 -20.580 2.074 -1.343 1.00 3.03 N ATOM 0 H LYS B 562 -15.533 5.307 -0.640 1.00 0.30 H new ATOM 0 HA LYS B 562 -16.345 5.654 1.924 1.00 0.39 H new ATOM 0 HB2 LYS B 562 -17.796 5.471 -0.077 1.00 0.51 H new ATOM 0 HB3 LYS B 562 -17.366 3.784 -0.272 1.00 0.51 H new ATOM 0 HG2 LYS B 562 -18.458 3.364 2.004 1.00 0.74 H new ATOM 0 HG3 LYS B 562 -19.067 5.005 1.923 1.00 0.74 H new ATOM 0 HD2 LYS B 562 -20.723 3.352 1.070 1.00 1.73 H new ATOM 0 HD3 LYS B 562 -20.272 4.523 -0.154 1.00 1.73 H new ATOM 0 HE2 LYS B 562 -18.647 2.897 -1.114 1.00 2.39 H new ATOM 0 HE3 LYS B 562 -19.088 1.727 0.113 1.00 2.39 H new ATOM 0 HZ1 LYS B 562 -20.239 1.305 -1.954 1.00 3.03 H new ATOM 0 HZ2 LYS B 562 -21.354 1.723 -0.744 1.00 3.03 H new ATOM 0 HZ3 LYS B 562 -20.927 2.857 -1.934 1.00 3.03 H new ATOM 1992 N SER B 563 -15.571 2.494 1.451 1.00 0.27 N ATOM 1993 CA SER B 563 -15.335 1.231 2.137 1.00 0.24 C ATOM 1994 C SER B 563 -13.888 1.122 2.593 1.00 0.21 C ATOM 1995 O SER B 563 -13.554 0.335 3.475 1.00 0.20 O ATOM 1996 CB SER B 563 -15.683 0.075 1.209 1.00 0.27 C ATOM 1997 OG SER B 563 -16.896 0.327 0.517 1.00 0.91 O ATOM 0 H SER B 563 -15.405 2.465 0.445 1.00 0.27 H new ATOM 0 HA SER B 563 -15.970 1.190 3.022 1.00 0.24 H new ATOM 0 HB2 SER B 563 -14.876 -0.077 0.492 1.00 0.27 H new ATOM 0 HB3 SER B 563 -15.774 -0.845 1.786 1.00 0.27 H new ATOM 0 HG SER B 563 -17.098 -0.428 -0.074 1.00 0.91 H new ATOM 2003 N LEU B 564 -13.046 1.942 1.995 1.00 0.20 N ATOM 2004 CA LEU B 564 -11.621 1.915 2.245 1.00 0.19 C ATOM 2005 C LEU B 564 -11.373 2.569 3.582 1.00 0.21 C ATOM 2006 O LEU B 564 -10.702 2.026 4.455 1.00 0.21 O ATOM 2007 CB LEU B 564 -10.889 2.683 1.149 1.00 0.19 C ATOM 2008 CG LEU B 564 -9.417 2.309 0.925 1.00 0.17 C ATOM 2009 CD1 LEU B 564 -8.839 3.135 -0.191 1.00 0.21 C ATOM 2010 CD2 LEU B 564 -8.564 2.510 2.156 1.00 0.18 C ATOM 0 H LEU B 564 -13.334 2.649 1.319 1.00 0.20 H new ATOM 0 HA LEU B 564 -11.255 0.888 2.251 1.00 0.19 H new ATOM 0 HB2 LEU B 564 -11.426 2.537 0.212 1.00 0.19 H new ATOM 0 HB3 LEU B 564 -10.940 3.746 1.383 1.00 0.19 H new ATOM 0 HG LEU B 564 -9.406 1.248 0.675 1.00 0.17 H new ATOM 0 HD11 LEU B 564 -7.795 2.862 -0.342 1.00 0.21 H new ATOM 0 HD12 LEU B 564 -9.399 2.950 -1.108 1.00 0.21 H new ATOM 0 HD13 LEU B 564 -8.904 4.192 0.067 1.00 0.21 H new ATOM 0 HD21 LEU B 564 -7.534 2.229 1.935 1.00 0.18 H new ATOM 0 HD22 LEU B 564 -8.598 3.558 2.455 1.00 0.18 H new ATOM 0 HD23 LEU B 564 -8.944 1.889 2.967 1.00 0.18 H new ATOM 2022 N VAL B 565 -11.968 3.735 3.742 1.00 0.23 N ATOM 2023 CA VAL B 565 -11.802 4.503 4.947 1.00 0.26 C ATOM 2024 C VAL B 565 -12.627 3.917 6.060 1.00 0.28 C ATOM 2025 O VAL B 565 -12.209 3.949 7.191 1.00 0.32 O ATOM 2026 CB VAL B 565 -12.155 5.980 4.728 1.00 0.29 C ATOM 2027 CG1 VAL B 565 -11.573 6.405 3.409 1.00 0.28 C ATOM 2028 CG2 VAL B 565 -13.657 6.228 4.756 1.00 0.30 C ATOM 0 H VAL B 565 -12.573 4.168 3.044 1.00 0.23 H new ATOM 0 HA VAL B 565 -10.750 4.457 5.230 1.00 0.26 H new ATOM 0 HB VAL B 565 -11.735 6.569 5.544 1.00 0.29 H new ATOM 0 HG11 VAL B 565 -11.810 7.453 3.228 1.00 0.28 H new ATOM 0 HG12 VAL B 565 -10.491 6.276 3.430 1.00 0.28 H new ATOM 0 HG13 VAL B 565 -11.996 5.795 2.611 1.00 0.28 H new ATOM 0 HG21 VAL B 565 -13.854 7.288 4.596 1.00 0.30 H new ATOM 0 HG22 VAL B 565 -14.136 5.647 3.968 1.00 0.30 H new ATOM 0 HG23 VAL B 565 -14.058 5.926 5.724 1.00 0.30 H new ATOM 2038 N SER B 566 -13.775 3.336 5.725 1.00 0.28 N ATOM 2039 CA SER B 566 -14.588 2.629 6.712 1.00 0.30 C ATOM 2040 C SER B 566 -13.795 1.489 7.329 1.00 0.30 C ATOM 2041 O SER B 566 -14.092 1.018 8.426 1.00 0.35 O ATOM 2042 CB SER B 566 -15.852 2.084 6.062 1.00 0.31 C ATOM 2043 OG SER B 566 -16.803 3.114 5.850 1.00 0.75 O ATOM 0 H SER B 566 -14.163 3.340 4.782 1.00 0.28 H new ATOM 0 HA SER B 566 -14.867 3.332 7.497 1.00 0.30 H new ATOM 0 HB2 SER B 566 -15.602 1.615 5.111 1.00 0.31 H new ATOM 0 HB3 SER B 566 -16.285 1.310 6.695 1.00 0.31 H new ATOM 0 HG SER B 566 -16.634 3.542 4.985 1.00 0.75 H new ATOM 2049 N TYR B 567 -12.773 1.078 6.616 1.00 0.26 N ATOM 2050 CA TYR B 567 -11.909 0.006 7.049 1.00 0.25 C ATOM 2051 C TYR B 567 -10.671 0.572 7.733 1.00 0.26 C ATOM 2052 O TYR B 567 -10.091 -0.068 8.599 1.00 0.28 O ATOM 2053 CB TYR B 567 -11.531 -0.820 5.827 1.00 0.23 C ATOM 2054 CG TYR B 567 -10.676 -2.026 6.105 1.00 0.22 C ATOM 2055 CD1 TYR B 567 -11.250 -3.223 6.501 1.00 0.23 C ATOM 2056 CD2 TYR B 567 -9.299 -1.954 5.994 1.00 0.24 C ATOM 2057 CE1 TYR B 567 -10.464 -4.325 6.776 1.00 0.25 C ATOM 2058 CE2 TYR B 567 -8.506 -3.047 6.265 1.00 0.25 C ATOM 2059 CZ TYR B 567 -9.110 -4.262 6.576 1.00 0.24 C ATOM 2060 OH TYR B 567 -8.305 -5.327 6.927 1.00 0.29 O ATOM 0 H TYR B 567 -12.516 1.480 5.714 1.00 0.26 H new ATOM 0 HA TYR B 567 -12.421 -0.628 7.773 1.00 0.25 H new ATOM 0 HB2 TYR B 567 -12.446 -1.150 5.335 1.00 0.23 H new ATOM 0 HB3 TYR B 567 -11.004 -0.176 5.123 1.00 0.23 H new ATOM 0 HD1 TYR B 567 -12.323 -3.295 6.596 1.00 0.23 H new ATOM 0 HD2 TYR B 567 -8.838 -1.026 5.690 1.00 0.24 H new ATOM 0 HE1 TYR B 567 -10.915 -5.233 7.147 1.00 0.25 H new ATOM 0 HE2 TYR B 567 -7.430 -2.963 6.237 1.00 0.25 H new ATOM 0 HH TYR B 567 -7.791 -5.620 6.146 1.00 0.29 H new ATOM 2070 N LEU B 568 -10.272 1.770 7.316 1.00 0.26 N ATOM 2071 CA LEU B 568 -9.107 2.458 7.871 1.00 0.29 C ATOM 2072 C LEU B 568 -9.427 3.282 9.117 1.00 0.35 C ATOM 2073 O LEU B 568 -8.635 3.330 10.048 1.00 0.39 O ATOM 2074 CB LEU B 568 -8.537 3.380 6.817 1.00 0.28 C ATOM 2075 CG LEU B 568 -7.387 2.825 5.999 1.00 0.25 C ATOM 2076 CD1 LEU B 568 -7.630 1.379 5.593 1.00 0.23 C ATOM 2077 CD2 LEU B 568 -7.227 3.693 4.784 1.00 0.26 C ATOM 0 H LEU B 568 -10.748 2.294 6.582 1.00 0.26 H new ATOM 0 HA LEU B 568 -8.394 1.689 8.167 1.00 0.29 H new ATOM 0 HB2 LEU B 568 -9.340 3.660 6.135 1.00 0.28 H new ATOM 0 HB3 LEU B 568 -8.201 4.294 7.306 1.00 0.28 H new ATOM 0 HG LEU B 568 -6.478 2.832 6.600 1.00 0.25 H new ATOM 0 HD11 LEU B 568 -6.784 1.018 5.009 1.00 0.23 H new ATOM 0 HD12 LEU B 568 -7.743 0.764 6.486 1.00 0.23 H new ATOM 0 HD13 LEU B 568 -8.538 1.317 4.993 1.00 0.23 H new ATOM 0 HD21 LEU B 568 -6.405 3.318 4.174 1.00 0.26 H new ATOM 0 HD22 LEU B 568 -8.148 3.676 4.201 1.00 0.26 H new ATOM 0 HD23 LEU B 568 -7.012 4.716 5.093 1.00 0.26 H new ATOM 2089 N ASN B 569 -10.575 3.944 9.126 1.00 0.38 N ATOM 2090 CA ASN B 569 -10.932 4.843 10.232 1.00 0.46 C ATOM 2091 C ASN B 569 -11.527 4.063 11.403 1.00 0.50 C ATOM 2092 O ASN B 569 -12.106 4.646 12.322 1.00 0.74 O ATOM 2093 CB ASN B 569 -11.926 5.935 9.785 1.00 0.52 C ATOM 2094 CG ASN B 569 -13.381 5.468 9.751 1.00 0.54 C ATOM 2095 OD1 ASN B 569 -14.284 6.210 10.143 1.00 0.68 O ATOM 2096 ND2 ASN B 569 -13.632 4.270 9.241 1.00 0.44 N ATOM 0 H ASN B 569 -11.276 3.881 8.388 1.00 0.38 H new ATOM 0 HA ASN B 569 -10.010 5.327 10.554 1.00 0.46 H new ATOM 0 HB2 ASN B 569 -11.843 6.787 10.460 1.00 0.52 H new ATOM 0 HB3 ASN B 569 -11.644 6.286 8.793 1.00 0.52 H new ATOM 0 HD21 ASN B 569 -14.594 3.940 9.165 1.00 0.44 H new ATOM 0 HD22 ASN B 569 -12.863 3.679 8.925 1.00 0.44 H new ATOM 2103 N TYR B 570 -11.372 2.749 11.345 1.00 0.50 N ATOM 2104 CA TYR B 570 -11.917 1.836 12.340 1.00 0.59 C ATOM 2105 C TYR B 570 -11.490 2.229 13.758 1.00 0.90 C ATOM 2106 O TYR B 570 -12.376 2.368 14.628 1.00 1.34 O ATOM 2107 CB TYR B 570 -11.483 0.397 12.018 1.00 0.39 C ATOM 2108 CG TYR B 570 -9.987 0.172 12.102 1.00 0.42 C ATOM 2109 CD1 TYR B 570 -9.145 0.614 11.091 1.00 0.36 C ATOM 2110 CD2 TYR B 570 -9.418 -0.489 13.184 1.00 0.66 C ATOM 2111 CE1 TYR B 570 -7.785 0.404 11.153 1.00 0.53 C ATOM 2112 CE2 TYR B 570 -8.059 -0.704 13.253 1.00 0.87 C ATOM 2113 CZ TYR B 570 -7.243 -0.229 12.280 1.00 0.79 C ATOM 2114 OH TYR B 570 -5.887 -0.465 12.297 1.00 1.04 O ATOM 2115 OXT TYR B 570 -10.280 2.433 13.992 1.00 1.66 O ATOM 0 H TYR B 570 -10.859 2.281 10.598 1.00 0.50 H new ATOM 0 HA TYR B 570 -13.005 1.897 12.302 1.00 0.59 H new ATOM 0 HB2 TYR B 570 -11.982 -0.285 12.707 1.00 0.39 H new ATOM 0 HB3 TYR B 570 -11.823 0.142 11.014 1.00 0.39 H new ATOM 0 HD1 TYR B 570 -9.564 1.132 10.241 1.00 0.36 H new ATOM 0 HD2 TYR B 570 -10.052 -0.840 13.985 1.00 0.66 H new ATOM 0 HE1 TYR B 570 -7.145 0.723 10.344 1.00 0.53 H new ATOM 0 HE2 TYR B 570 -7.642 -1.253 14.085 1.00 0.87 H new ATOM 0 HH TYR B 570 -5.643 -0.908 13.136 1.00 1.04 H new