USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=36 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 149:sc= -1.32 (180deg=-0.0531) USER MOD Set 1.2: A 100 GLN : amide:sc= -8.21! C(o=-9.5!,f=-5.6!) USER MOD Set 2.1: A 57 ASN : amide:sc= -0.0668 K(o=0.16,f=-2.3!) USER MOD Set 2.2: A 60 ASN : amide:sc= 0.0895 K(o=0.16,f=-1.2) USER MOD Set 2.3: A 62 SER OG : rot -170:sc= 0.14 USER MOD Set 3.1: A 55 SER OG : rot -123:sc= 0.467 USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= 2.51 (180deg=1.69) USER MOD Single : A 37 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.5!) USER MOD Single : A 42 SER OG : rot 154:sc= 1.22 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 65:sc= 0.491 USER MOD Single : A 47 SER OG : rot 180:sc= 0.063 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 1.16 (180deg=0.906) USER MOD Single : A 64 ASN : amide:sc= -2.44! K(o=-2.4!,f=0) USER MOD Single : A 67 SER OG : rot -170:sc= -2.2! USER MOD Single : A 68 LYS NZ :NH3+ -151:sc= 0.879 (180deg=0.421) 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 70:sc= -1.16 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 82 LYS NZ :NH3+ -129:sc= 0 (180deg=-1.47!) USER MOD Single : A 84 MET CE :methyl 157:sc= -0.0727 (180deg=-0.875) USER MOD Single : A 86 ASN : amide:sc= -2.9! K(o=-2.9!,f=-0.16) USER MOD Single : A 88 ASN : amide:sc= 0.0298 X(o=0.03,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= 1.28 (180deg=1.12) USER MOD Single : A 101 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.15) USER MOD Single : A 106 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.17) USER MOD Single : A 109 SER OG : rot -81:sc= 0.971 USER MOD Single : A 110 MET CE :methyl -170:sc= -6.94! (180deg=-7.26!) USER MOD Single : A 112 LYS NZ :NH3+ -138:sc= -1.06 (180deg=-3.21!) USER MOD Single : A 118 LYS NZ :NH3+ 146:sc= -1.86 (180deg=-3.98!) USER MOD Single : A 125 THR OG1 : rot 32:sc= 0.115 USER MOD Single : A 130 LYS NZ :NH3+ 147:sc= 2.06 (180deg=-0.46!) USER MOD Single : A 135 LYS NZ :NH3+ 166:sc= -1.08 (180deg=-1.59!) 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 -87:sc= 0.366 USER MOD Single : B 562 LYS NZ :NH3+ -160:sc= -0.0759 (180deg=-0.464) USER MOD Single : B 563 SER OG : rot 180:sc= 0 USER MOD Single : B 566 SER OG : rot 86:sc= 1.22 USER MOD Single : B 567 TYR OH : rot 128:sc= 0.00745 USER MOD Single : B 569 ASN : amide:sc= -2.65! K(o=-2.6!,f=-1.3) USER MOD Single : B 570 TYR OH : rot 180:sc= -0.549 USER MOD ----------------------------------------------------------------- ATOM 76 N LYS A 34 -2.667 5.556 9.447 1.00 0.62 N ATOM 77 CA LYS A 34 -2.238 4.325 10.047 1.00 0.54 C ATOM 78 C LYS A 34 -0.985 3.806 9.353 1.00 0.43 C ATOM 79 O LYS A 34 -0.996 3.575 8.143 1.00 0.53 O ATOM 80 CB LYS A 34 -3.369 3.322 9.915 1.00 0.66 C ATOM 81 CG LYS A 34 -4.186 3.162 11.178 1.00 0.83 C ATOM 82 CD LYS A 34 -5.497 3.919 11.113 1.00 0.84 C ATOM 83 CE LYS A 34 -6.299 3.710 12.382 1.00 0.90 C ATOM 84 NZ LYS A 34 -7.587 4.455 12.361 1.00 1.23 N ATOM 0 HA LYS A 34 -1.995 4.482 11.098 1.00 0.54 H new ATOM 0 HB2 LYS A 34 -4.027 3.633 9.104 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -2.954 2.354 9.635 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -4.388 2.104 11.346 1.00 0.83 H new ATOM 0 HG3 LYS A 34 -3.606 3.516 12.031 1.00 0.83 H new ATOM 0 HD2 LYS A 34 -5.302 4.982 10.971 1.00 0.84 H new ATOM 0 HD3 LYS A 34 -6.075 3.583 10.252 1.00 0.84 H new ATOM 0 HE2 LYS A 34 -6.498 2.646 12.513 1.00 0.90 H new ATOM 0 HE3 LYS A 34 -5.709 4.032 13.240 1.00 0.90 H new ATOM 0 HZ1 LYS A 34 -8.222 4.072 13.090 1.00 1.23 H new ATOM 0 HZ2 LYS A 34 -7.409 5.462 12.552 1.00 1.23 H new ATOM 0 HZ3 LYS A 34 -8.032 4.353 11.426 1.00 1.23 H new ATOM 98 N GLU A 35 0.094 3.645 10.111 1.00 0.43 N ATOM 99 CA GLU A 35 1.361 3.178 9.553 1.00 0.48 C ATOM 100 C GLU A 35 1.336 1.670 9.311 1.00 0.40 C ATOM 101 O GLU A 35 1.448 0.874 10.251 1.00 0.55 O ATOM 102 CB GLU A 35 2.538 3.522 10.476 1.00 0.75 C ATOM 103 CG GLU A 35 2.585 4.971 10.925 1.00 1.06 C ATOM 104 CD GLU A 35 1.867 5.197 12.237 1.00 1.35 C ATOM 105 OE1 GLU A 35 2.492 5.025 13.302 1.00 1.83 O ATOM 106 OE2 GLU A 35 0.672 5.557 12.207 1.00 1.86 O ATOM 0 H GLU A 35 0.118 3.831 11.114 1.00 0.43 H new ATOM 0 HA GLU A 35 1.496 3.690 8.600 1.00 0.48 H new ATOM 0 HB2 GLU A 35 2.490 2.883 11.358 1.00 0.75 H new ATOM 0 HB3 GLU A 35 3.469 3.284 9.961 1.00 0.75 H new ATOM 0 HG2 GLU A 35 3.625 5.283 11.026 1.00 1.06 H new ATOM 0 HG3 GLU A 35 2.136 5.600 10.156 1.00 1.06 H new ATOM 113 N TRP A 36 1.185 1.282 8.057 1.00 0.28 N ATOM 114 CA TRP A 36 1.246 -0.121 7.675 1.00 0.25 C ATOM 115 C TRP A 36 2.670 -0.490 7.253 1.00 0.26 C ATOM 116 O TRP A 36 3.386 0.330 6.680 1.00 0.40 O ATOM 117 CB TRP A 36 0.306 -0.425 6.502 1.00 0.26 C ATOM 118 CG TRP A 36 -1.093 0.111 6.627 1.00 0.19 C ATOM 119 CD1 TRP A 36 -1.725 0.924 5.731 1.00 0.56 C ATOM 120 CD2 TRP A 36 -2.040 -0.129 7.680 1.00 0.54 C ATOM 121 NE1 TRP A 36 -3.002 1.196 6.154 1.00 0.47 N ATOM 122 CE2 TRP A 36 -3.218 0.568 7.343 1.00 0.27 C ATOM 123 CE3 TRP A 36 -2.012 -0.859 8.869 1.00 1.19 C ATOM 124 CZ2 TRP A 36 -4.352 0.553 8.144 1.00 0.56 C ATOM 125 CZ3 TRP A 36 -3.143 -0.874 9.667 1.00 1.51 C ATOM 126 CH2 TRP A 36 -4.298 -0.172 9.301 1.00 1.19 C ATOM 0 H TRP A 36 1.018 1.922 7.280 1.00 0.28 H new ATOM 0 HA TRP A 36 0.939 -0.706 8.542 1.00 0.25 H new ATOM 0 HB2 TRP A 36 0.749 -0.021 5.592 1.00 0.26 H new ATOM 0 HB3 TRP A 36 0.250 -1.506 6.377 1.00 0.26 H new ATOM 0 HD1 TRP A 36 -1.283 1.299 4.820 1.00 0.56 H new ATOM 0 HE1 TRP A 36 -3.680 1.775 5.658 1.00 0.47 H new ATOM 0 HE3 TRP A 36 -1.125 -1.402 9.161 1.00 1.19 H new ATOM 0 HZ2 TRP A 36 -5.243 1.094 7.863 1.00 0.56 H new ATOM 0 HZ3 TRP A 36 -3.134 -1.437 10.588 1.00 1.51 H new ATOM 0 HH2 TRP A 36 -5.164 -0.204 9.946 1.00 1.19 H new ATOM 137 N HIS A 37 3.077 -1.719 7.539 1.00 0.25 N ATOM 138 CA HIS A 37 4.361 -2.235 7.057 1.00 0.25 C ATOM 139 C HIS A 37 4.153 -2.987 5.749 1.00 0.24 C ATOM 140 O HIS A 37 3.451 -3.988 5.722 1.00 0.30 O ATOM 141 CB HIS A 37 4.998 -3.179 8.084 1.00 0.29 C ATOM 142 CG HIS A 37 5.469 -2.511 9.340 1.00 0.34 C ATOM 143 ND1 HIS A 37 6.708 -1.913 9.470 1.00 0.61 N ATOM 144 CD2 HIS A 37 4.860 -2.366 10.540 1.00 0.68 C ATOM 145 CE1 HIS A 37 6.836 -1.434 10.693 1.00 0.51 C ATOM 146 NE2 HIS A 37 5.731 -1.693 11.363 1.00 0.56 N ATOM 0 H HIS A 37 2.541 -2.380 8.101 1.00 0.25 H new ATOM 0 HA HIS A 37 5.029 -1.388 6.901 1.00 0.25 H new ATOM 0 HB2 HIS A 37 4.273 -3.949 8.348 1.00 0.29 H new ATOM 0 HB3 HIS A 37 5.844 -3.684 7.618 1.00 0.29 H new ATOM 0 HD1 HIS A 37 7.413 -1.851 8.736 1.00 0.61 H new ATOM 0 HD2 HIS A 37 3.872 -2.715 10.802 1.00 0.68 H new ATOM 0 HE1 HIS A 37 7.701 -0.916 11.080 1.00 0.51 H new ATOM 155 N ILE A 38 4.752 -2.517 4.668 1.00 0.20 N ATOM 156 CA ILE A 38 4.533 -3.142 3.367 1.00 0.20 C ATOM 157 C ILE A 38 5.277 -4.469 3.256 1.00 0.21 C ATOM 158 O ILE A 38 6.449 -4.575 3.614 1.00 0.27 O ATOM 159 CB ILE A 38 4.951 -2.219 2.211 1.00 0.20 C ATOM 160 CG1 ILE A 38 4.335 -0.837 2.412 1.00 0.21 C ATOM 161 CG2 ILE A 38 4.507 -2.810 0.884 1.00 0.21 C ATOM 162 CD1 ILE A 38 4.769 0.181 1.383 1.00 0.20 C ATOM 0 H ILE A 38 5.385 -1.717 4.660 1.00 0.20 H new ATOM 0 HA ILE A 38 3.462 -3.329 3.289 1.00 0.20 H new ATOM 0 HB ILE A 38 6.037 -2.125 2.200 1.00 0.20 H new ATOM 0 HG12 ILE A 38 3.249 -0.926 2.385 1.00 0.21 H new ATOM 0 HG13 ILE A 38 4.600 -0.472 3.404 1.00 0.21 H new ATOM 0 HG21 ILE A 38 4.808 -2.148 0.072 1.00 0.21 H new ATOM 0 HG22 ILE A 38 4.971 -3.787 0.747 1.00 0.21 H new ATOM 0 HG23 ILE A 38 3.423 -2.920 0.879 1.00 0.21 H new ATOM 0 HD11 ILE A 38 4.290 1.137 1.593 1.00 0.20 H new ATOM 0 HD12 ILE A 38 5.852 0.301 1.424 1.00 0.20 H new ATOM 0 HD13 ILE A 38 4.479 -0.160 0.389 1.00 0.20 H new ATOM 174 N VAL A 39 4.574 -5.473 2.756 1.00 0.19 N ATOM 175 CA VAL A 39 5.098 -6.823 2.650 1.00 0.18 C ATOM 176 C VAL A 39 5.173 -7.268 1.198 1.00 0.16 C ATOM 177 O VAL A 39 4.221 -7.088 0.445 1.00 0.18 O ATOM 178 CB VAL A 39 4.197 -7.805 3.416 1.00 0.20 C ATOM 179 CG1 VAL A 39 4.604 -9.246 3.170 1.00 0.23 C ATOM 180 CG2 VAL A 39 4.189 -7.491 4.889 1.00 0.26 C ATOM 0 H VAL A 39 3.619 -5.372 2.411 1.00 0.19 H new ATOM 0 HA VAL A 39 6.100 -6.821 3.078 1.00 0.18 H new ATOM 0 HB VAL A 39 3.183 -7.683 3.037 1.00 0.20 H new ATOM 0 HG11 VAL A 39 3.944 -9.911 3.728 1.00 0.23 H new ATOM 0 HG12 VAL A 39 4.528 -9.469 2.106 1.00 0.23 H new ATOM 0 HG13 VAL A 39 5.632 -9.395 3.499 1.00 0.23 H new ATOM 0 HG21 VAL A 39 3.544 -8.200 5.409 1.00 0.26 H new ATOM 0 HG22 VAL A 39 5.203 -7.566 5.283 1.00 0.26 H new ATOM 0 HG23 VAL A 39 3.814 -6.479 5.043 1.00 0.26 H new ATOM 190 N PRO A 40 6.300 -7.858 0.784 1.00 0.14 N ATOM 191 CA PRO A 40 6.451 -8.420 -0.545 1.00 0.14 C ATOM 192 C PRO A 40 5.924 -9.849 -0.611 1.00 0.16 C ATOM 193 O PRO A 40 6.448 -10.751 0.043 1.00 0.28 O ATOM 194 CB PRO A 40 7.964 -8.391 -0.779 1.00 0.17 C ATOM 195 CG PRO A 40 8.593 -7.956 0.512 1.00 0.15 C ATOM 196 CD PRO A 40 7.525 -8.022 1.566 1.00 0.14 C ATOM 0 HA PRO A 40 5.889 -7.866 -1.297 1.00 0.14 H new ATOM 0 HB2 PRO A 40 8.329 -9.375 -1.075 1.00 0.17 H new ATOM 0 HB3 PRO A 40 8.218 -7.702 -1.584 1.00 0.17 H new ATOM 0 HG2 PRO A 40 9.430 -8.604 0.771 1.00 0.15 H new ATOM 0 HG3 PRO A 40 8.988 -6.944 0.426 1.00 0.15 H new ATOM 0 HD2 PRO A 40 7.541 -8.971 2.101 1.00 0.14 H new ATOM 0 HD3 PRO A 40 7.640 -7.234 2.311 1.00 0.14 H new ATOM 204 N VAL A 41 4.873 -10.047 -1.388 1.00 0.14 N ATOM 205 CA VAL A 41 4.247 -11.356 -1.500 1.00 0.16 C ATOM 206 C VAL A 41 4.881 -12.184 -2.619 1.00 0.18 C ATOM 207 O VAL A 41 5.166 -13.368 -2.443 1.00 0.23 O ATOM 208 CB VAL A 41 2.730 -11.236 -1.770 1.00 0.17 C ATOM 209 CG1 VAL A 41 2.101 -12.611 -1.914 1.00 0.21 C ATOM 210 CG2 VAL A 41 2.028 -10.446 -0.674 1.00 0.20 C ATOM 0 H VAL A 41 4.434 -9.319 -1.951 1.00 0.14 H new ATOM 0 HA VAL A 41 4.405 -11.858 -0.545 1.00 0.16 H new ATOM 0 HB VAL A 41 2.605 -10.693 -2.707 1.00 0.17 H new ATOM 0 HG11 VAL A 41 1.033 -12.504 -2.104 1.00 0.21 H new ATOM 0 HG12 VAL A 41 2.566 -13.139 -2.746 1.00 0.21 H new ATOM 0 HG13 VAL A 41 2.252 -13.178 -0.995 1.00 0.21 H new ATOM 0 HG21 VAL A 41 0.963 -10.382 -0.897 1.00 0.20 H new ATOM 0 HG22 VAL A 41 2.169 -10.948 0.283 1.00 0.20 H new ATOM 0 HG23 VAL A 41 2.449 -9.442 -0.623 1.00 0.20 H new ATOM 220 N SER A 42 5.100 -11.554 -3.764 1.00 0.19 N ATOM 221 CA SER A 42 5.548 -12.268 -4.954 1.00 0.25 C ATOM 222 C SER A 42 7.039 -12.056 -5.214 1.00 0.24 C ATOM 223 O SER A 42 7.635 -11.061 -4.796 1.00 0.35 O ATOM 224 CB SER A 42 4.723 -11.829 -6.168 1.00 0.34 C ATOM 225 OG SER A 42 5.021 -12.597 -7.322 1.00 1.08 O ATOM 0 H SER A 42 4.975 -10.550 -3.896 1.00 0.19 H new ATOM 0 HA SER A 42 5.397 -13.334 -4.783 1.00 0.25 H new ATOM 0 HB2 SER A 42 3.662 -11.920 -5.937 1.00 0.34 H new ATOM 0 HB3 SER A 42 4.915 -10.776 -6.374 1.00 0.34 H new ATOM 0 HG SER A 42 4.244 -12.606 -7.919 1.00 1.08 H new ATOM 231 N LYS A 43 7.598 -13.022 -5.937 1.00 0.28 N ATOM 232 CA LYS A 43 9.038 -13.179 -6.159 1.00 0.31 C ATOM 233 C LYS A 43 9.749 -11.903 -6.607 1.00 0.26 C ATOM 234 O LYS A 43 10.861 -11.627 -6.159 1.00 0.32 O ATOM 235 CB LYS A 43 9.255 -14.279 -7.200 1.00 0.42 C ATOM 236 CG LYS A 43 8.398 -14.098 -8.444 1.00 1.02 C ATOM 237 CD LYS A 43 7.456 -15.272 -8.661 1.00 1.41 C ATOM 238 CE LYS A 43 6.505 -15.016 -9.822 1.00 2.09 C ATOM 239 NZ LYS A 43 5.653 -16.199 -10.118 1.00 2.95 N ATOM 0 H LYS A 43 7.045 -13.743 -6.401 1.00 0.28 H new ATOM 0 HA LYS A 43 9.478 -13.440 -5.196 1.00 0.31 H new ATOM 0 HB2 LYS A 43 10.306 -14.296 -7.489 1.00 0.42 H new ATOM 0 HB3 LYS A 43 9.033 -15.246 -6.750 1.00 0.42 H new ATOM 0 HG2 LYS A 43 7.818 -13.179 -8.355 1.00 1.02 H new ATOM 0 HG3 LYS A 43 9.043 -13.984 -9.315 1.00 1.02 H new ATOM 0 HD2 LYS A 43 8.036 -16.174 -8.856 1.00 1.41 H new ATOM 0 HD3 LYS A 43 6.882 -15.452 -7.752 1.00 1.41 H new ATOM 0 HE2 LYS A 43 5.870 -14.162 -9.588 1.00 2.09 H new ATOM 0 HE3 LYS A 43 7.080 -14.752 -10.710 1.00 2.09 H new ATOM 0 HZ1 LYS A 43 5.021 -15.981 -10.915 1.00 2.95 H new ATOM 0 HZ2 LYS A 43 6.257 -17.008 -10.367 1.00 2.95 H new ATOM 0 HZ3 LYS A 43 5.084 -16.436 -9.280 1.00 2.95 H new ATOM 253 N ASP A 44 9.118 -11.132 -7.484 1.00 0.23 N ATOM 254 CA ASP A 44 9.762 -9.954 -8.069 1.00 0.21 C ATOM 255 C ASP A 44 9.948 -8.857 -7.025 1.00 0.17 C ATOM 256 O ASP A 44 10.730 -7.927 -7.218 1.00 0.18 O ATOM 257 CB ASP A 44 8.934 -9.421 -9.241 1.00 0.25 C ATOM 258 CG ASP A 44 9.781 -8.752 -10.306 1.00 0.39 C ATOM 259 OD1 ASP A 44 10.951 -9.149 -10.469 1.00 0.44 O ATOM 260 OD2 ASP A 44 9.290 -7.811 -10.967 1.00 0.97 O ATOM 0 H ASP A 44 8.165 -11.297 -7.807 1.00 0.23 H new ATOM 0 HA ASP A 44 10.744 -10.255 -8.433 1.00 0.21 H new ATOM 0 HB2 ASP A 44 8.378 -10.244 -9.690 1.00 0.25 H new ATOM 0 HB3 ASP A 44 8.200 -8.707 -8.866 1.00 0.25 H new ATOM 265 N TYR A 45 9.221 -8.971 -5.920 1.00 0.15 N ATOM 266 CA TYR A 45 9.244 -7.954 -4.878 1.00 0.13 C ATOM 267 C TYR A 45 9.987 -8.441 -3.648 1.00 0.15 C ATOM 268 O TYR A 45 10.057 -7.744 -2.651 1.00 0.15 O ATOM 269 CB TYR A 45 7.818 -7.538 -4.502 1.00 0.12 C ATOM 270 CG TYR A 45 7.053 -6.950 -5.659 1.00 0.15 C ATOM 271 CD1 TYR A 45 6.534 -7.760 -6.659 1.00 0.23 C ATOM 272 CD2 TYR A 45 6.835 -5.582 -5.737 1.00 0.21 C ATOM 273 CE1 TYR A 45 5.816 -7.215 -7.706 1.00 0.29 C ATOM 274 CE2 TYR A 45 6.120 -5.032 -6.778 1.00 0.25 C ATOM 275 CZ TYR A 45 5.681 -5.884 -7.821 1.00 0.27 C ATOM 276 OH TYR A 45 4.889 -5.304 -8.792 1.00 0.35 O ATOM 0 H TYR A 45 8.606 -9.761 -5.723 1.00 0.15 H new ATOM 0 HA TYR A 45 9.774 -7.087 -5.273 1.00 0.13 H new ATOM 0 HB2 TYR A 45 7.280 -8.406 -4.122 1.00 0.12 H new ATOM 0 HB3 TYR A 45 7.859 -6.809 -3.693 1.00 0.12 H new ATOM 0 HD1 TYR A 45 6.693 -8.827 -6.618 1.00 0.23 H new ATOM 0 HD2 TYR A 45 7.233 -4.937 -4.968 1.00 0.21 H new ATOM 0 HE1 TYR A 45 5.360 -7.865 -8.438 1.00 0.29 H new ATOM 0 HE2 TYR A 45 5.899 -3.975 -6.799 1.00 0.25 H new ATOM 0 HH TYR A 45 3.952 -5.544 -8.636 1.00 0.35 H new ATOM 286 N PHE A 46 10.573 -9.626 -3.721 1.00 0.19 N ATOM 287 CA PHE A 46 11.333 -10.161 -2.593 1.00 0.23 C ATOM 288 C PHE A 46 12.508 -9.249 -2.237 1.00 0.22 C ATOM 289 O PHE A 46 13.143 -9.411 -1.193 1.00 0.26 O ATOM 290 CB PHE A 46 11.828 -11.577 -2.882 1.00 0.28 C ATOM 291 CG PHE A 46 10.760 -12.632 -2.779 1.00 0.36 C ATOM 292 CD1 PHE A 46 9.573 -12.368 -2.115 1.00 0.68 C ATOM 293 CD2 PHE A 46 10.941 -13.885 -3.348 1.00 0.68 C ATOM 294 CE1 PHE A 46 8.586 -13.330 -2.022 1.00 0.74 C ATOM 295 CE2 PHE A 46 9.957 -14.851 -3.257 1.00 0.76 C ATOM 296 CZ PHE A 46 8.797 -14.592 -2.585 1.00 0.57 C ATOM 0 H PHE A 46 10.540 -10.234 -4.540 1.00 0.19 H new ATOM 0 HA PHE A 46 10.660 -10.203 -1.737 1.00 0.23 H new ATOM 0 HB2 PHE A 46 12.255 -11.604 -3.884 1.00 0.28 H new ATOM 0 HB3 PHE A 46 12.632 -11.819 -2.186 1.00 0.28 H new ATOM 0 HD1 PHE A 46 9.418 -11.399 -1.665 1.00 0.68 H new ATOM 0 HD2 PHE A 46 11.861 -14.108 -3.868 1.00 0.68 H new ATOM 0 HE1 PHE A 46 7.657 -13.108 -1.517 1.00 0.74 H new ATOM 0 HE2 PHE A 46 10.106 -15.815 -3.720 1.00 0.76 H new ATOM 0 HZ PHE A 46 8.044 -15.360 -2.489 1.00 0.57 H new ATOM 306 N SER A 47 12.794 -8.296 -3.114 1.00 0.19 N ATOM 307 CA SER A 47 13.904 -7.394 -2.934 1.00 0.23 C ATOM 308 C SER A 47 13.490 -6.083 -2.254 1.00 0.17 C ATOM 309 O SER A 47 14.329 -5.220 -2.050 1.00 0.20 O ATOM 310 CB SER A 47 14.525 -7.113 -4.298 1.00 0.31 C ATOM 311 OG SER A 47 13.525 -7.055 -5.305 1.00 1.19 O ATOM 0 H SER A 47 12.259 -8.133 -3.967 1.00 0.19 H new ATOM 0 HA SER A 47 14.630 -7.868 -2.273 1.00 0.23 H new ATOM 0 HB2 SER A 47 15.071 -6.170 -4.267 1.00 0.31 H new ATOM 0 HB3 SER A 47 15.248 -7.892 -4.541 1.00 0.31 H new ATOM 0 HG SER A 47 13.944 -6.872 -6.172 1.00 1.19 H new ATOM 317 N ILE A 48 12.206 -5.935 -1.905 1.00 0.17 N ATOM 318 CA ILE A 48 11.717 -4.701 -1.262 1.00 0.15 C ATOM 319 C ILE A 48 12.536 -4.397 0.007 1.00 0.17 C ATOM 320 O ILE A 48 12.913 -5.310 0.744 1.00 0.20 O ATOM 321 CB ILE A 48 10.197 -4.804 -0.925 1.00 0.17 C ATOM 322 CG1 ILE A 48 9.370 -5.048 -2.195 1.00 0.18 C ATOM 323 CG2 ILE A 48 9.700 -3.545 -0.232 1.00 0.18 C ATOM 324 CD1 ILE A 48 8.623 -3.832 -2.708 1.00 0.21 C ATOM 0 H ILE A 48 11.489 -6.646 -2.054 1.00 0.17 H new ATOM 0 HA ILE A 48 11.846 -3.879 -1.966 1.00 0.15 H new ATOM 0 HB ILE A 48 10.072 -5.650 -0.249 1.00 0.17 H new ATOM 0 HG12 ILE A 48 10.034 -5.408 -2.981 1.00 0.18 H new ATOM 0 HG13 ILE A 48 8.651 -5.843 -1.997 1.00 0.18 H new ATOM 0 HG21 ILE A 48 8.638 -3.647 -0.010 1.00 0.18 H new ATOM 0 HG22 ILE A 48 10.252 -3.399 0.696 1.00 0.18 H new ATOM 0 HG23 ILE A 48 9.853 -2.686 -0.885 1.00 0.18 H new ATOM 0 HD11 ILE A 48 8.067 -4.099 -3.607 1.00 0.21 H new ATOM 0 HD12 ILE A 48 7.930 -3.482 -1.943 1.00 0.21 H new ATOM 0 HD13 ILE A 48 9.334 -3.040 -2.943 1.00 0.21 H new ATOM 336 N PRO A 49 12.855 -3.100 0.232 1.00 0.16 N ATOM 337 CA PRO A 49 13.779 -2.633 1.281 1.00 0.19 C ATOM 338 C PRO A 49 13.507 -3.074 2.710 1.00 0.15 C ATOM 339 O PRO A 49 12.526 -3.755 3.004 1.00 0.21 O ATOM 340 CB PRO A 49 13.667 -1.107 1.234 1.00 0.26 C ATOM 341 CG PRO A 49 12.500 -0.820 0.381 1.00 0.17 C ATOM 342 CD PRO A 49 12.381 -1.969 -0.570 1.00 0.16 C ATOM 0 HA PRO A 49 14.755 -3.066 1.062 1.00 0.19 H new ATOM 0 HB2 PRO A 49 13.533 -0.693 2.233 1.00 0.26 H new ATOM 0 HB3 PRO A 49 14.572 -0.660 0.823 1.00 0.26 H new ATOM 0 HG2 PRO A 49 11.596 -0.717 0.981 1.00 0.17 H new ATOM 0 HG3 PRO A 49 12.634 0.118 -0.158 1.00 0.17 H new ATOM 0 HD2 PRO A 49 11.354 -2.113 -0.905 1.00 0.16 H new ATOM 0 HD3 PRO A 49 12.990 -1.821 -1.462 1.00 0.16 H new ATOM 350 N ASN A 50 14.396 -2.612 3.588 1.00 0.17 N ATOM 351 CA ASN A 50 14.377 -2.927 5.011 1.00 0.22 C ATOM 352 C ASN A 50 12.979 -2.786 5.612 1.00 0.22 C ATOM 353 O ASN A 50 12.459 -3.720 6.232 1.00 0.34 O ATOM 354 CB ASN A 50 15.339 -1.984 5.748 1.00 0.35 C ATOM 355 CG ASN A 50 15.577 -2.405 7.187 1.00 0.58 C ATOM 356 OD1 ASN A 50 14.866 -1.977 8.096 1.00 1.23 O ATOM 357 ND2 ASN A 50 16.579 -3.242 7.404 1.00 0.83 N ATOM 0 H ASN A 50 15.164 -1.996 3.322 1.00 0.17 H new ATOM 0 HA ASN A 50 14.687 -3.966 5.127 1.00 0.22 H new ATOM 0 HB2 ASN A 50 16.292 -1.956 5.219 1.00 0.35 H new ATOM 0 HB3 ASN A 50 14.935 -0.972 5.731 1.00 0.35 H new ATOM 0 HD21 ASN A 50 16.785 -3.555 8.352 1.00 0.83 H new ATOM 0 HD22 ASN A 50 17.145 -3.574 6.623 1.00 0.83 H new ATOM 364 N ASP A 51 12.363 -1.630 5.397 1.00 0.24 N ATOM 365 CA ASP A 51 11.110 -1.297 6.067 1.00 0.34 C ATOM 366 C ASP A 51 10.486 -0.050 5.462 1.00 0.27 C ATOM 367 O ASP A 51 10.983 1.063 5.641 1.00 0.36 O ATOM 368 CB ASP A 51 11.336 -1.088 7.569 1.00 0.51 C ATOM 369 CG ASP A 51 10.103 -0.565 8.285 1.00 1.20 C ATOM 370 OD1 ASP A 51 9.094 -1.303 8.357 1.00 1.90 O ATOM 371 OD2 ASP A 51 10.125 0.597 8.751 1.00 1.23 O ATOM 0 H ASP A 51 12.709 -0.908 4.765 1.00 0.24 H new ATOM 0 HA ASP A 51 10.426 -2.134 5.926 1.00 0.34 H new ATOM 0 HB2 ASP A 51 11.639 -2.033 8.021 1.00 0.51 H new ATOM 0 HB3 ASP A 51 12.158 -0.387 7.714 1.00 0.51 H new ATOM 376 N LEU A 52 9.417 -0.258 4.718 1.00 0.22 N ATOM 377 CA LEU A 52 8.640 0.840 4.166 1.00 0.17 C ATOM 378 C LEU A 52 7.356 1.015 4.956 1.00 0.19 C ATOM 379 O LEU A 52 6.668 0.039 5.267 1.00 0.25 O ATOM 380 CB LEU A 52 8.299 0.585 2.699 1.00 0.18 C ATOM 381 CG LEU A 52 9.495 0.480 1.758 1.00 0.14 C ATOM 382 CD1 LEU A 52 9.033 0.091 0.364 1.00 0.17 C ATOM 383 CD2 LEU A 52 10.273 1.790 1.716 1.00 0.15 C ATOM 0 H LEU A 52 9.063 -1.184 4.479 1.00 0.22 H new ATOM 0 HA LEU A 52 9.241 1.747 4.234 1.00 0.17 H new ATOM 0 HB2 LEU A 52 7.724 -0.338 2.633 1.00 0.18 H new ATOM 0 HB3 LEU A 52 7.652 1.389 2.349 1.00 0.18 H new ATOM 0 HG LEU A 52 10.161 -0.295 2.137 1.00 0.14 H new ATOM 0 HD11 LEU A 52 9.896 0.019 -0.298 1.00 0.17 H new ATOM 0 HD12 LEU A 52 8.526 -0.873 0.405 1.00 0.17 H new ATOM 0 HD13 LEU A 52 8.346 0.847 -0.016 1.00 0.17 H new ATOM 0 HD21 LEU A 52 11.120 1.688 1.038 1.00 0.15 H new ATOM 0 HD22 LEU A 52 9.621 2.589 1.364 1.00 0.15 H new ATOM 0 HD23 LEU A 52 10.635 2.030 2.716 1.00 0.15 H new ATOM 395 N LEU A 53 7.035 2.254 5.270 1.00 0.16 N ATOM 396 CA LEU A 53 5.815 2.557 5.998 1.00 0.18 C ATOM 397 C LEU A 53 4.782 3.170 5.067 1.00 0.17 C ATOM 398 O LEU A 53 4.987 4.242 4.498 1.00 0.17 O ATOM 399 CB LEU A 53 6.090 3.505 7.167 1.00 0.21 C ATOM 400 CG LEU A 53 6.978 2.940 8.276 1.00 0.26 C ATOM 401 CD1 LEU A 53 7.198 3.984 9.360 1.00 0.32 C ATOM 402 CD2 LEU A 53 6.360 1.681 8.865 1.00 0.30 C ATOM 0 H LEU A 53 7.601 3.069 5.033 1.00 0.16 H new ATOM 0 HA LEU A 53 5.425 1.622 6.400 1.00 0.18 H new ATOM 0 HB2 LEU A 53 6.557 4.409 6.777 1.00 0.21 H new ATOM 0 HB3 LEU A 53 5.136 3.801 7.604 1.00 0.21 H new ATOM 0 HG LEU A 53 7.945 2.678 7.846 1.00 0.26 H new ATOM 0 HD11 LEU A 53 7.832 3.568 10.143 1.00 0.32 H new ATOM 0 HD12 LEU A 53 7.682 4.860 8.929 1.00 0.32 H new ATOM 0 HD13 LEU A 53 6.238 4.274 9.787 1.00 0.32 H new ATOM 0 HD21 LEU A 53 7.006 1.293 9.653 1.00 0.30 H new ATOM 0 HD22 LEU A 53 5.381 1.917 9.282 1.00 0.30 H new ATOM 0 HD23 LEU A 53 6.250 0.930 8.083 1.00 0.30 H new ATOM 414 N TRP A 54 3.676 2.479 4.919 1.00 0.18 N ATOM 415 CA TRP A 54 2.577 2.949 4.104 1.00 0.20 C ATOM 416 C TRP A 54 1.478 3.465 5.010 1.00 0.23 C ATOM 417 O TRP A 54 0.984 2.737 5.862 1.00 0.28 O ATOM 418 CB TRP A 54 2.053 1.796 3.238 1.00 0.22 C ATOM 419 CG TRP A 54 0.943 2.165 2.296 1.00 0.24 C ATOM 420 CD1 TRP A 54 -0.215 2.824 2.595 1.00 0.35 C ATOM 421 CD2 TRP A 54 0.875 1.853 0.903 1.00 0.24 C ATOM 422 NE1 TRP A 54 -0.982 2.962 1.469 1.00 0.35 N ATOM 423 CE2 TRP A 54 -0.341 2.368 0.420 1.00 0.26 C ATOM 424 CE3 TRP A 54 1.726 1.195 0.013 1.00 0.34 C ATOM 425 CZ2 TRP A 54 -0.725 2.245 -0.906 1.00 0.27 C ATOM 426 CZ3 TRP A 54 1.338 1.070 -1.305 1.00 0.41 C ATOM 427 CH2 TRP A 54 0.121 1.596 -1.750 1.00 0.35 C ATOM 0 H TRP A 54 3.511 1.574 5.360 1.00 0.18 H new ATOM 0 HA TRP A 54 2.913 3.754 3.451 1.00 0.20 H new ATOM 0 HB2 TRP A 54 2.882 1.391 2.658 1.00 0.22 H new ATOM 0 HB3 TRP A 54 1.703 0.999 3.894 1.00 0.22 H new ATOM 0 HD1 TRP A 54 -0.486 3.184 3.576 1.00 0.35 H new ATOM 0 HE1 TRP A 54 -1.886 3.432 1.422 1.00 0.35 H new ATOM 0 HE3 TRP A 54 2.670 0.792 0.350 1.00 0.34 H new ATOM 0 HZ2 TRP A 54 -1.663 2.650 -1.257 1.00 0.27 H new ATOM 0 HZ3 TRP A 54 1.984 0.558 -2.003 1.00 0.41 H new ATOM 0 HH2 TRP A 54 -0.153 1.484 -2.789 1.00 0.35 H new ATOM 438 N SER A 55 1.090 4.710 4.837 1.00 0.26 N ATOM 439 CA SER A 55 0.002 5.248 5.599 1.00 0.33 C ATOM 440 C SER A 55 -0.920 6.004 4.676 1.00 0.25 C ATOM 441 O SER A 55 -0.532 6.998 4.062 1.00 0.22 O ATOM 442 CB SER A 55 0.523 6.153 6.720 1.00 0.44 C ATOM 443 OG SER A 55 1.488 7.067 6.236 1.00 1.11 O ATOM 0 H SER A 55 1.515 5.361 4.176 1.00 0.26 H new ATOM 0 HA SER A 55 -0.552 4.434 6.067 1.00 0.33 H new ATOM 0 HB2 SER A 55 -0.308 6.700 7.165 1.00 0.44 H new ATOM 0 HB3 SER A 55 0.961 5.542 7.509 1.00 0.44 H new ATOM 0 HG SER A 55 2.323 6.957 6.737 1.00 1.11 H new ATOM 449 N PHE A 56 -2.124 5.500 4.525 1.00 0.30 N ATOM 450 CA PHE A 56 -3.123 6.217 3.781 1.00 0.28 C ATOM 451 C PHE A 56 -3.467 7.466 4.553 1.00 0.27 C ATOM 452 O PHE A 56 -3.599 7.420 5.771 1.00 0.39 O ATOM 453 CB PHE A 56 -4.401 5.396 3.602 1.00 0.40 C ATOM 454 CG PHE A 56 -4.242 4.079 2.894 1.00 0.30 C ATOM 455 CD1 PHE A 56 -3.709 2.983 3.549 1.00 0.29 C ATOM 456 CD2 PHE A 56 -4.670 3.929 1.586 1.00 0.34 C ATOM 457 CE1 PHE A 56 -3.603 1.760 2.912 1.00 0.30 C ATOM 458 CE2 PHE A 56 -4.560 2.711 0.943 1.00 0.34 C ATOM 459 CZ PHE A 56 -4.026 1.625 1.607 1.00 0.27 C ATOM 0 H PHE A 56 -2.429 4.604 4.905 1.00 0.30 H new ATOM 0 HA PHE A 56 -2.724 6.442 2.792 1.00 0.28 H new ATOM 0 HB2 PHE A 56 -4.830 5.208 4.586 1.00 0.40 H new ATOM 0 HB3 PHE A 56 -5.122 5.998 3.050 1.00 0.40 H new ATOM 0 HD1 PHE A 56 -3.372 3.084 4.570 1.00 0.29 H new ATOM 0 HD2 PHE A 56 -5.094 4.773 1.063 1.00 0.34 H new ATOM 0 HE1 PHE A 56 -3.189 0.911 3.437 1.00 0.30 H new ATOM 0 HE2 PHE A 56 -4.892 2.609 -0.080 1.00 0.34 H new ATOM 0 HZ PHE A 56 -3.940 0.672 1.106 1.00 0.27 H new ATOM 469 N ASN A 57 -3.538 8.581 3.883 1.00 0.24 N ATOM 470 CA ASN A 57 -4.216 9.725 4.456 1.00 0.31 C ATOM 471 C ASN A 57 -5.517 9.942 3.702 1.00 0.33 C ATOM 472 O ASN A 57 -5.560 10.656 2.712 1.00 0.41 O ATOM 473 CB ASN A 57 -3.349 10.990 4.386 1.00 0.45 C ATOM 474 CG ASN A 57 -2.100 10.914 5.249 1.00 1.09 C ATOM 475 OD1 ASN A 57 -1.538 9.846 5.466 1.00 2.12 O ATOM 476 ND2 ASN A 57 -1.652 12.059 5.741 1.00 1.16 N ATOM 0 H ASN A 57 -3.144 8.729 2.954 1.00 0.24 H new ATOM 0 HA ASN A 57 -4.414 9.526 5.509 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -3.056 11.164 3.351 1.00 0.45 H new ATOM 0 HB3 ASN A 57 -3.945 11.848 4.697 1.00 0.45 H new ATOM 0 HD21 ASN A 57 -0.813 12.071 6.321 1.00 1.16 H new ATOM 0 HD22 ASN A 57 -2.146 12.929 5.539 1.00 1.16 H new ATOM 483 N THR A 58 -6.587 9.353 4.206 1.00 0.34 N ATOM 484 CA THR A 58 -7.905 9.478 3.594 1.00 0.40 C ATOM 485 C THR A 58 -8.544 10.763 4.068 1.00 0.48 C ATOM 486 O THR A 58 -9.558 11.228 3.548 1.00 0.61 O ATOM 487 CB THR A 58 -8.786 8.286 4.002 1.00 0.40 C ATOM 488 OG1 THR A 58 -8.773 8.141 5.428 1.00 0.43 O ATOM 489 CG2 THR A 58 -8.300 7.000 3.354 1.00 0.48 C ATOM 0 H THR A 58 -6.571 8.776 5.047 1.00 0.34 H new ATOM 0 HA THR A 58 -7.805 9.490 2.509 1.00 0.40 H new ATOM 0 HB THR A 58 -9.803 8.480 3.660 1.00 0.40 H new ATOM 0 HG1 THR A 58 -9.337 7.382 5.685 1.00 0.43 H new ATOM 0 HG21 THR A 58 -8.941 6.173 3.660 1.00 0.48 H new ATOM 0 HG22 THR A 58 -8.334 7.104 2.269 1.00 0.48 H new ATOM 0 HG23 THR A 58 -7.275 6.799 3.667 1.00 0.48 H new ATOM 497 N THR A 59 -7.883 11.331 5.047 1.00 0.50 N ATOM 498 CA THR A 59 -8.298 12.531 5.711 1.00 0.63 C ATOM 499 C THR A 59 -8.162 13.730 4.774 1.00 0.67 C ATOM 500 O THR A 59 -9.005 14.626 4.757 1.00 0.77 O ATOM 501 CB THR A 59 -7.416 12.690 6.956 1.00 0.74 C ATOM 502 OG1 THR A 59 -7.664 11.618 7.868 1.00 0.86 O ATOM 503 CG2 THR A 59 -7.630 14.022 7.641 1.00 0.90 C ATOM 0 H THR A 59 -7.010 10.952 5.413 1.00 0.50 H new ATOM 0 HA THR A 59 -9.347 12.475 6.003 1.00 0.63 H new ATOM 0 HB THR A 59 -6.376 12.659 6.630 1.00 0.74 H new ATOM 0 HG1 THR A 59 -7.097 11.724 8.660 1.00 0.86 H new ATOM 0 HG21 THR A 59 -6.984 14.089 8.517 1.00 0.90 H new ATOM 0 HG22 THR A 59 -7.389 14.830 6.950 1.00 0.90 H new ATOM 0 HG23 THR A 59 -8.671 14.109 7.951 1.00 0.90 H new ATOM 511 N ASN A 60 -7.101 13.715 3.980 1.00 0.65 N ATOM 512 CA ASN A 60 -6.886 14.722 2.947 1.00 0.74 C ATOM 513 C ASN A 60 -6.730 14.038 1.596 1.00 0.72 C ATOM 514 O ASN A 60 -6.158 14.584 0.654 1.00 0.84 O ATOM 515 CB ASN A 60 -5.654 15.579 3.268 1.00 0.86 C ATOM 516 CG ASN A 60 -4.414 14.753 3.565 1.00 1.17 C ATOM 517 OD1 ASN A 60 -4.173 14.364 4.709 1.00 1.99 O ATOM 518 ND2 ASN A 60 -3.612 14.485 2.549 1.00 1.69 N ATOM 0 H ASN A 60 -6.367 13.009 4.032 1.00 0.65 H new ATOM 0 HA ASN A 60 -7.750 15.385 2.913 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -5.450 16.240 2.426 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -5.874 16.214 4.126 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -2.763 13.940 2.699 1.00 1.69 H new ATOM 0 HD22 ASN A 60 -3.842 14.823 1.615 1.00 1.69 H new ATOM 525 N LYS A 61 -7.267 12.820 1.556 1.00 0.64 N ATOM 526 CA LYS A 61 -7.215 11.917 0.405 1.00 0.66 C ATOM 527 C LYS A 61 -5.865 11.920 -0.314 1.00 0.65 C ATOM 528 O LYS A 61 -5.766 12.303 -1.478 1.00 0.94 O ATOM 529 CB LYS A 61 -8.314 12.198 -0.618 1.00 0.84 C ATOM 530 CG LYS A 61 -9.735 12.068 -0.105 1.00 0.96 C ATOM 531 CD LYS A 61 -10.208 13.305 0.622 1.00 0.99 C ATOM 532 CE LYS A 61 -11.725 13.406 0.592 1.00 1.06 C ATOM 533 NZ LYS A 61 -12.377 12.143 1.029 1.00 1.65 N ATOM 0 H LYS A 61 -7.767 12.420 2.350 1.00 0.64 H new ATOM 0 HA LYS A 61 -7.372 10.930 0.840 1.00 0.66 H new ATOM 0 HB2 LYS A 61 -8.177 13.208 -1.004 1.00 0.84 H new ATOM 0 HB3 LYS A 61 -8.186 11.516 -1.459 1.00 0.84 H new ATOM 0 HG2 LYS A 61 -10.402 11.867 -0.943 1.00 0.96 H new ATOM 0 HG3 LYS A 61 -9.798 11.211 0.566 1.00 0.96 H new ATOM 0 HD2 LYS A 61 -9.862 13.279 1.655 1.00 0.99 H new ATOM 0 HD3 LYS A 61 -9.771 14.191 0.162 1.00 0.99 H new ATOM 0 HE2 LYS A 61 -12.047 14.222 1.239 1.00 1.06 H new ATOM 0 HE3 LYS A 61 -12.052 13.652 -0.418 1.00 1.06 H new ATOM 0 HZ1 LYS A 61 -13.390 12.313 1.189 1.00 1.65 H new ATOM 0 HZ2 LYS A 61 -12.260 11.419 0.292 1.00 1.65 H new ATOM 0 HZ3 LYS A 61 -11.938 11.813 1.912 1.00 1.65 H new ATOM 547 N SER A 62 -4.842 11.474 0.376 1.00 0.41 N ATOM 548 CA SER A 62 -3.526 11.322 -0.209 1.00 0.38 C ATOM 549 C SER A 62 -2.862 10.084 0.369 1.00 0.35 C ATOM 550 O SER A 62 -3.007 9.790 1.548 1.00 0.50 O ATOM 551 CB SER A 62 -2.661 12.545 0.079 1.00 0.47 C ATOM 552 OG SER A 62 -3.355 13.746 -0.220 1.00 1.28 O ATOM 0 H SER A 62 -4.896 11.206 1.359 1.00 0.41 H new ATOM 0 HA SER A 62 -3.632 11.220 -1.289 1.00 0.38 H new ATOM 0 HB2 SER A 62 -2.364 12.545 1.128 1.00 0.47 H new ATOM 0 HB3 SER A 62 -1.746 12.494 -0.511 1.00 0.47 H new ATOM 0 HG SER A 62 -2.733 14.502 -0.179 1.00 1.28 H new ATOM 558 N ILE A 63 -2.143 9.357 -0.452 1.00 0.36 N ATOM 559 CA ILE A 63 -1.398 8.215 0.034 1.00 0.33 C ATOM 560 C ILE A 63 -0.038 8.713 0.500 1.00 0.35 C ATOM 561 O ILE A 63 0.634 9.434 -0.234 1.00 0.54 O ATOM 562 CB ILE A 63 -1.151 7.131 -1.047 1.00 0.34 C ATOM 563 CG1 ILE A 63 -2.289 7.056 -2.084 1.00 0.37 C ATOM 564 CG2 ILE A 63 -0.948 5.784 -0.374 1.00 0.39 C ATOM 565 CD1 ILE A 63 -2.313 5.759 -2.865 1.00 1.11 C ATOM 0 H ILE A 63 -2.056 9.532 -1.453 1.00 0.36 H new ATOM 0 HA ILE A 63 -1.987 7.758 0.829 1.00 0.33 H new ATOM 0 HB ILE A 63 -0.252 7.409 -1.597 1.00 0.34 H new ATOM 0 HG12 ILE A 63 -3.244 7.180 -1.573 1.00 0.37 H new ATOM 0 HG13 ILE A 63 -2.190 7.888 -2.781 1.00 0.37 H new ATOM 0 HG21 ILE A 63 -0.774 5.021 -1.133 1.00 0.39 H new ATOM 0 HG22 ILE A 63 -0.087 5.836 0.292 1.00 0.39 H new ATOM 0 HG23 ILE A 63 -1.837 5.527 0.202 1.00 0.39 H new ATOM 0 HD11 ILE A 63 -3.139 5.777 -3.575 1.00 1.11 H new ATOM 0 HD12 ILE A 63 -1.373 5.642 -3.405 1.00 1.11 H new ATOM 0 HD13 ILE A 63 -2.444 4.923 -2.178 1.00 1.11 H new ATOM 577 N ASN A 64 0.359 8.380 1.711 1.00 0.25 N ATOM 578 CA ASN A 64 1.671 8.779 2.202 1.00 0.25 C ATOM 579 C ASN A 64 2.522 7.556 2.472 1.00 0.21 C ATOM 580 O ASN A 64 2.306 6.840 3.449 1.00 0.24 O ATOM 581 CB ASN A 64 1.554 9.633 3.463 1.00 0.34 C ATOM 582 CG ASN A 64 1.306 11.107 3.162 1.00 0.57 C ATOM 583 OD1 ASN A 64 1.635 11.979 3.965 1.00 1.22 O ATOM 584 ND2 ASN A 64 0.756 11.401 1.991 1.00 0.53 N ATOM 0 H ASN A 64 -0.199 7.839 2.372 1.00 0.25 H new ATOM 0 HA ASN A 64 2.151 9.383 1.432 1.00 0.25 H new ATOM 0 HB2 ASN A 64 0.740 9.252 4.079 1.00 0.34 H new ATOM 0 HB3 ASN A 64 2.469 9.536 4.047 1.00 0.34 H new ATOM 0 HD21 ASN A 64 0.594 12.375 1.734 1.00 0.53 H new ATOM 0 HD22 ASN A 64 0.495 10.653 1.348 1.00 0.53 H new ATOM 591 N VAL A 65 3.467 7.299 1.586 1.00 0.20 N ATOM 592 CA VAL A 65 4.371 6.180 1.755 1.00 0.18 C ATOM 593 C VAL A 65 5.766 6.698 2.051 1.00 0.20 C ATOM 594 O VAL A 65 6.353 7.424 1.244 1.00 0.25 O ATOM 595 CB VAL A 65 4.426 5.275 0.505 1.00 0.18 C ATOM 596 CG1 VAL A 65 5.203 3.998 0.797 1.00 0.18 C ATOM 597 CG2 VAL A 65 3.030 4.953 -0.004 1.00 0.19 C ATOM 0 H VAL A 65 3.627 7.851 0.743 1.00 0.20 H new ATOM 0 HA VAL A 65 3.995 5.581 2.585 1.00 0.18 H new ATOM 0 HB VAL A 65 4.949 5.822 -0.280 1.00 0.18 H new ATOM 0 HG11 VAL A 65 5.229 3.375 -0.097 1.00 0.18 H new ATOM 0 HG12 VAL A 65 6.221 4.251 1.093 1.00 0.18 H new ATOM 0 HG13 VAL A 65 4.716 3.452 1.605 1.00 0.18 H new ATOM 0 HG21 VAL A 65 3.102 4.314 -0.884 1.00 0.19 H new ATOM 0 HG22 VAL A 65 2.469 4.436 0.774 1.00 0.19 H new ATOM 0 HG23 VAL A 65 2.517 5.878 -0.267 1.00 0.19 H new ATOM 607 N TYR A 66 6.285 6.345 3.207 1.00 0.19 N ATOM 608 CA TYR A 66 7.589 6.816 3.626 1.00 0.21 C ATOM 609 C TYR A 66 8.322 5.757 4.428 1.00 0.21 C ATOM 610 O TYR A 66 7.730 4.808 4.917 1.00 0.24 O ATOM 611 CB TYR A 66 7.458 8.102 4.450 1.00 0.27 C ATOM 612 CG TYR A 66 6.450 8.020 5.574 1.00 0.31 C ATOM 613 CD1 TYR A 66 6.835 7.588 6.835 1.00 0.40 C ATOM 614 CD2 TYR A 66 5.120 8.369 5.376 1.00 0.33 C ATOM 615 CE1 TYR A 66 5.925 7.503 7.867 1.00 0.50 C ATOM 616 CE2 TYR A 66 4.202 8.287 6.407 1.00 0.43 C ATOM 617 CZ TYR A 66 4.584 7.884 7.628 1.00 0.51 C ATOM 618 OH TYR A 66 3.704 7.771 8.679 1.00 0.63 O ATOM 0 H TYR A 66 5.822 5.731 3.877 1.00 0.19 H new ATOM 0 HA TYR A 66 8.170 7.029 2.728 1.00 0.21 H new ATOM 0 HB2 TYR A 66 8.433 8.352 4.869 1.00 0.27 H new ATOM 0 HB3 TYR A 66 7.178 8.919 3.785 1.00 0.27 H new ATOM 0 HD1 TYR A 66 7.865 7.314 7.011 1.00 0.40 H new ATOM 0 HD2 TYR A 66 4.798 8.709 4.403 1.00 0.33 H new ATOM 0 HE1 TYR A 66 6.231 7.151 8.841 1.00 0.50 H new ATOM 0 HE2 TYR A 66 3.170 8.549 6.228 1.00 0.43 H new ATOM 0 HH TYR A 66 2.813 8.063 8.393 1.00 0.63 H new ATOM 628 N SER A 67 9.614 5.925 4.534 1.00 0.21 N ATOM 629 CA SER A 67 10.450 5.059 5.328 1.00 0.24 C ATOM 630 C SER A 67 11.529 5.903 5.970 1.00 0.28 C ATOM 631 O SER A 67 11.456 7.135 5.933 1.00 0.30 O ATOM 632 CB SER A 67 11.085 3.953 4.476 1.00 0.26 C ATOM 633 OG SER A 67 12.149 4.451 3.672 1.00 0.29 O ATOM 0 H SER A 67 10.123 6.675 4.067 1.00 0.21 H new ATOM 0 HA SER A 67 9.840 4.571 6.088 1.00 0.24 H new ATOM 0 HB2 SER A 67 11.460 3.163 5.127 1.00 0.26 H new ATOM 0 HB3 SER A 67 10.325 3.505 3.836 1.00 0.26 H new ATOM 0 HG SER A 67 12.425 3.763 3.031 1.00 0.29 H new ATOM 639 N LYS A 68 12.501 5.247 6.575 1.00 0.33 N ATOM 640 CA LYS A 68 13.675 5.919 7.114 1.00 0.38 C ATOM 641 C LYS A 68 14.242 6.904 6.091 1.00 0.36 C ATOM 642 O LYS A 68 14.770 7.962 6.438 1.00 0.42 O ATOM 643 CB LYS A 68 14.772 4.910 7.462 1.00 0.47 C ATOM 644 CG LYS A 68 14.370 3.822 8.446 1.00 0.63 C ATOM 645 CD LYS A 68 13.729 2.621 7.761 1.00 1.00 C ATOM 646 CE LYS A 68 13.679 1.404 8.673 1.00 1.58 C ATOM 647 NZ LYS A 68 12.687 1.563 9.765 1.00 2.03 N ATOM 0 H LYS A 68 12.502 4.236 6.708 1.00 0.33 H new ATOM 0 HA LYS A 68 13.363 6.448 8.015 1.00 0.38 H new ATOM 0 HB2 LYS A 68 15.111 4.436 6.541 1.00 0.47 H new ATOM 0 HB3 LYS A 68 15.623 5.452 7.874 1.00 0.47 H new ATOM 0 HG2 LYS A 68 15.250 3.494 8.999 1.00 0.63 H new ATOM 0 HG3 LYS A 68 13.672 4.235 9.174 1.00 0.63 H new ATOM 0 HD2 LYS A 68 12.718 2.880 7.446 1.00 1.00 H new ATOM 0 HD3 LYS A 68 14.290 2.376 6.859 1.00 1.00 H new ATOM 0 HE2 LYS A 68 13.431 0.521 8.084 1.00 1.58 H new ATOM 0 HE3 LYS A 68 14.666 1.233 9.103 1.00 1.58 H new ATOM 0 HZ1 LYS A 68 12.993 1.016 10.595 1.00 2.03 H new ATOM 0 HZ2 LYS A 68 12.612 2.568 10.022 1.00 2.03 H new ATOM 0 HZ3 LYS A 68 11.760 1.217 9.445 1.00 2.03 H new ATOM 661 N CYS A 69 14.117 6.530 4.825 1.00 0.36 N ATOM 662 CA CYS A 69 14.720 7.280 3.731 1.00 0.37 C ATOM 663 C CYS A 69 13.692 7.834 2.726 1.00 0.41 C ATOM 664 O CYS A 69 13.720 9.024 2.409 1.00 0.74 O ATOM 665 CB CYS A 69 15.721 6.378 3.024 1.00 0.38 C ATOM 666 SG CYS A 69 16.973 5.659 4.135 1.00 0.38 S ATOM 0 H CYS A 69 13.598 5.703 4.528 1.00 0.36 H new ATOM 0 HA CYS A 69 15.214 8.153 4.158 1.00 0.37 H new ATOM 0 HB2 CYS A 69 15.182 5.571 2.528 1.00 0.38 H new ATOM 0 HB3 CYS A 69 16.225 6.950 2.245 1.00 0.38 H new ATOM 671 N ILE A 70 12.797 6.987 2.216 1.00 0.25 N ATOM 672 CA ILE A 70 11.826 7.412 1.198 1.00 0.22 C ATOM 673 C ILE A 70 10.663 8.154 1.861 1.00 0.23 C ATOM 674 O ILE A 70 10.431 7.993 3.056 1.00 0.27 O ATOM 675 CB ILE A 70 11.311 6.203 0.379 1.00 0.20 C ATOM 676 CG1 ILE A 70 10.470 6.649 -0.814 1.00 0.20 C ATOM 677 CG2 ILE A 70 10.515 5.241 1.241 1.00 0.22 C ATOM 678 CD1 ILE A 70 10.310 5.563 -1.842 1.00 0.23 C ATOM 0 H ILE A 70 12.721 6.007 2.487 1.00 0.25 H new ATOM 0 HA ILE A 70 12.326 8.090 0.506 1.00 0.22 H new ATOM 0 HB ILE A 70 12.192 5.682 0.005 1.00 0.20 H new ATOM 0 HG12 ILE A 70 9.486 6.962 -0.464 1.00 0.20 H new ATOM 0 HG13 ILE A 70 10.935 7.519 -1.278 1.00 0.20 H new ATOM 0 HG21 ILE A 70 10.170 4.406 0.631 1.00 0.22 H new ATOM 0 HG22 ILE A 70 11.147 4.866 2.046 1.00 0.22 H new ATOM 0 HG23 ILE A 70 9.655 5.759 1.666 1.00 0.22 H new ATOM 0 HD11 ILE A 70 9.704 5.932 -2.669 1.00 0.23 H new ATOM 0 HD12 ILE A 70 11.291 5.267 -2.214 1.00 0.23 H new ATOM 0 HD13 ILE A 70 9.819 4.702 -1.388 1.00 0.23 H new ATOM 690 N SER A 71 9.968 8.985 1.099 1.00 0.24 N ATOM 691 CA SER A 71 8.841 9.756 1.615 1.00 0.28 C ATOM 692 C SER A 71 8.136 10.470 0.473 1.00 0.29 C ATOM 693 O SER A 71 8.706 11.362 -0.150 1.00 0.39 O ATOM 694 CB SER A 71 9.319 10.783 2.649 1.00 0.42 C ATOM 695 OG SER A 71 8.235 11.519 3.190 1.00 1.12 O ATOM 0 H SER A 71 10.166 9.145 0.111 1.00 0.24 H new ATOM 0 HA SER A 71 8.145 9.070 2.098 1.00 0.28 H new ATOM 0 HB2 SER A 71 9.850 10.272 3.452 1.00 0.42 H new ATOM 0 HB3 SER A 71 10.028 11.467 2.183 1.00 0.42 H new ATOM 0 HG SER A 71 8.573 12.164 3.846 1.00 1.12 H new ATOM 701 N GLY A 72 6.911 10.074 0.179 1.00 0.30 N ATOM 702 CA GLY A 72 6.201 10.698 -0.912 1.00 0.42 C ATOM 703 C GLY A 72 4.713 10.748 -0.708 1.00 0.31 C ATOM 704 O GLY A 72 4.152 9.996 0.091 1.00 0.40 O ATOM 0 H GLY A 72 6.400 9.340 0.670 1.00 0.30 H new ATOM 0 HA2 GLY A 72 6.576 11.713 -1.046 1.00 0.42 H new ATOM 0 HA3 GLY A 72 6.416 10.155 -1.832 1.00 0.42 H new ATOM 708 N LYS A 73 4.080 11.632 -1.454 1.00 0.24 N ATOM 709 CA LYS A 73 2.649 11.819 -1.393 1.00 0.23 C ATOM 710 C LYS A 73 2.016 11.309 -2.670 1.00 0.21 C ATOM 711 O LYS A 73 2.635 11.321 -3.729 1.00 0.27 O ATOM 712 CB LYS A 73 2.329 13.302 -1.193 1.00 0.35 C ATOM 713 CG LYS A 73 0.868 13.671 -1.365 1.00 1.00 C ATOM 714 CD LYS A 73 0.718 14.787 -2.373 1.00 0.70 C ATOM 715 CE LYS A 73 0.778 14.244 -3.779 1.00 0.43 C ATOM 716 NZ LYS A 73 0.712 15.328 -4.796 1.00 0.64 N ATOM 0 H LYS A 73 4.549 12.243 -2.122 1.00 0.24 H new ATOM 0 HA LYS A 73 2.244 11.258 -0.551 1.00 0.23 H new ATOM 0 HB2 LYS A 73 2.647 13.595 -0.192 1.00 0.35 H new ATOM 0 HB3 LYS A 73 2.921 13.884 -1.899 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.303 12.799 -1.693 1.00 1.00 H new ATOM 0 HG3 LYS A 73 0.450 13.980 -0.407 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -0.230 15.301 -2.216 1.00 0.70 H new ATOM 0 HD3 LYS A 73 1.508 15.524 -2.228 1.00 0.70 H new ATOM 0 HE2 LYS A 73 1.700 13.678 -3.911 1.00 0.43 H new ATOM 0 HE3 LYS A 73 -0.047 13.549 -3.935 1.00 0.43 H new ATOM 0 HZ1 LYS A 73 0.756 14.913 -5.749 1.00 0.64 H new ATOM 0 HZ2 LYS A 73 -0.180 15.852 -4.687 1.00 0.64 H new ATOM 0 HZ3 LYS A 73 1.513 15.977 -4.664 1.00 0.64 H new ATOM 730 N ALA A 74 0.791 10.868 -2.560 1.00 0.21 N ATOM 731 CA ALA A 74 0.045 10.380 -3.699 1.00 0.22 C ATOM 732 C ALA A 74 -1.411 10.754 -3.555 1.00 0.26 C ATOM 733 O ALA A 74 -1.866 11.022 -2.459 1.00 0.41 O ATOM 734 CB ALA A 74 0.192 8.872 -3.817 1.00 0.23 C ATOM 0 H ALA A 74 0.278 10.835 -1.679 1.00 0.21 H new ATOM 0 HA ALA A 74 0.441 10.838 -4.605 1.00 0.22 H new ATOM 0 HB1 ALA A 74 -0.374 8.518 -4.678 1.00 0.23 H new ATOM 0 HB2 ALA A 74 1.244 8.618 -3.945 1.00 0.23 H new ATOM 0 HB3 ALA A 74 -0.188 8.397 -2.912 1.00 0.23 H new ATOM 740 N VAL A 75 -2.133 10.807 -4.652 1.00 0.28 N ATOM 741 CA VAL A 75 -3.575 10.960 -4.587 1.00 0.33 C ATOM 742 C VAL A 75 -4.213 9.720 -5.170 1.00 0.29 C ATOM 743 O VAL A 75 -3.865 9.293 -6.272 1.00 0.29 O ATOM 744 CB VAL A 75 -4.071 12.198 -5.348 1.00 0.43 C ATOM 745 CG1 VAL A 75 -5.560 12.407 -5.133 1.00 0.81 C ATOM 746 CG2 VAL A 75 -3.288 13.433 -4.938 1.00 0.80 C ATOM 0 H VAL A 75 -1.751 10.747 -5.596 1.00 0.28 H new ATOM 0 HA VAL A 75 -3.855 11.095 -3.542 1.00 0.33 H new ATOM 0 HB VAL A 75 -3.905 12.028 -6.412 1.00 0.43 H new ATOM 0 HG11 VAL A 75 -5.887 13.290 -5.682 1.00 0.81 H new ATOM 0 HG12 VAL A 75 -6.105 11.534 -5.492 1.00 0.81 H new ATOM 0 HG13 VAL A 75 -5.758 12.547 -4.070 1.00 0.81 H new ATOM 0 HG21 VAL A 75 -3.657 14.298 -5.490 1.00 0.80 H new ATOM 0 HG22 VAL A 75 -3.413 13.605 -3.869 1.00 0.80 H new ATOM 0 HG23 VAL A 75 -2.231 13.284 -5.160 1.00 0.80 H new ATOM 756 N TYR A 76 -5.133 9.135 -4.435 1.00 0.29 N ATOM 757 CA TYR A 76 -5.657 7.836 -4.809 1.00 0.25 C ATOM 758 C TYR A 76 -6.906 7.938 -5.671 1.00 0.29 C ATOM 759 O TYR A 76 -7.723 8.846 -5.520 1.00 0.42 O ATOM 760 CB TYR A 76 -5.896 6.937 -3.586 1.00 0.29 C ATOM 761 CG TYR A 76 -6.749 7.525 -2.487 1.00 0.38 C ATOM 762 CD1 TYR A 76 -8.126 7.626 -2.625 1.00 0.46 C ATOM 763 CD2 TYR A 76 -6.172 7.945 -1.295 1.00 0.44 C ATOM 764 CE1 TYR A 76 -8.909 8.139 -1.608 1.00 0.57 C ATOM 765 CE2 TYR A 76 -6.949 8.452 -0.269 1.00 0.56 C ATOM 766 CZ TYR A 76 -8.316 8.545 -0.433 1.00 0.64 C ATOM 767 OH TYR A 76 -9.094 9.045 0.585 1.00 0.75 O ATOM 0 H TYR A 76 -5.531 9.531 -3.584 1.00 0.29 H new ATOM 0 HA TYR A 76 -4.887 7.363 -5.419 1.00 0.25 H new ATOM 0 HB2 TYR A 76 -6.363 6.012 -3.926 1.00 0.29 H new ATOM 0 HB3 TYR A 76 -4.928 6.669 -3.163 1.00 0.29 H new ATOM 0 HD1 TYR A 76 -8.594 7.298 -3.542 1.00 0.46 H new ATOM 0 HD2 TYR A 76 -5.102 7.875 -1.168 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -9.979 8.221 -1.734 1.00 0.57 H new ATOM 0 HE2 TYR A 76 -6.489 8.773 0.654 1.00 0.56 H new ATOM 0 HH TYR A 76 -9.630 8.322 0.972 1.00 0.75 H new ATOM 777 N SER A 77 -7.011 7.001 -6.596 1.00 0.25 N ATOM 778 CA SER A 77 -8.139 6.907 -7.502 1.00 0.29 C ATOM 779 C SER A 77 -8.567 5.451 -7.600 1.00 0.23 C ATOM 780 O SER A 77 -7.823 4.562 -7.184 1.00 0.26 O ATOM 781 CB SER A 77 -7.759 7.444 -8.874 1.00 0.39 C ATOM 782 OG SER A 77 -7.064 8.677 -8.761 1.00 0.98 O ATOM 0 H SER A 77 -6.307 6.277 -6.740 1.00 0.25 H new ATOM 0 HA SER A 77 -8.967 7.506 -7.123 1.00 0.29 H new ATOM 0 HB2 SER A 77 -7.135 6.717 -9.394 1.00 0.39 H new ATOM 0 HB3 SER A 77 -8.657 7.582 -9.476 1.00 0.39 H new ATOM 0 HG SER A 77 -6.828 9.003 -9.655 1.00 0.98 H new ATOM 788 N PHE A 78 -9.750 5.199 -8.132 1.00 0.20 N ATOM 789 CA PHE A 78 -10.267 3.841 -8.196 1.00 0.20 C ATOM 790 C PHE A 78 -10.788 3.511 -9.584 1.00 0.22 C ATOM 791 O PHE A 78 -11.328 4.372 -10.278 1.00 0.28 O ATOM 792 CB PHE A 78 -11.382 3.649 -7.166 1.00 0.24 C ATOM 793 CG PHE A 78 -10.916 3.764 -5.744 1.00 0.29 C ATOM 794 CD1 PHE A 78 -10.374 2.671 -5.085 1.00 0.36 C ATOM 795 CD2 PHE A 78 -11.025 4.965 -5.066 1.00 0.37 C ATOM 796 CE1 PHE A 78 -9.949 2.776 -3.777 1.00 0.46 C ATOM 797 CE2 PHE A 78 -10.602 5.078 -3.758 1.00 0.47 C ATOM 798 CZ PHE A 78 -10.046 3.973 -3.116 1.00 0.50 C ATOM 0 H PHE A 78 -10.368 5.910 -8.524 1.00 0.20 H new ATOM 0 HA PHE A 78 -9.444 3.162 -7.970 1.00 0.20 H new ATOM 0 HB2 PHE A 78 -12.161 4.390 -7.345 1.00 0.24 H new ATOM 0 HB3 PHE A 78 -11.835 2.668 -7.312 1.00 0.24 H new ATOM 0 HD1 PHE A 78 -10.284 1.727 -5.602 1.00 0.36 H new ATOM 0 HD2 PHE A 78 -11.446 5.824 -5.567 1.00 0.37 H new ATOM 0 HE1 PHE A 78 -9.539 1.913 -3.273 1.00 0.46 H new ATOM 0 HE2 PHE A 78 -10.701 6.017 -3.234 1.00 0.47 H new ATOM 0 HZ PHE A 78 -9.692 4.060 -2.099 1.00 0.50 H new ATOM 808 N ASN A 79 -10.586 2.269 -9.995 1.00 0.21 N ATOM 809 CA ASN A 79 -11.157 1.775 -11.234 1.00 0.23 C ATOM 810 C ASN A 79 -11.473 0.293 -11.106 1.00 0.26 C ATOM 811 O ASN A 79 -10.565 -0.530 -11.042 1.00 0.31 O ATOM 812 CB ASN A 79 -10.185 1.989 -12.388 1.00 0.31 C ATOM 813 CG ASN A 79 -10.791 1.629 -13.734 1.00 0.45 C ATOM 814 OD1 ASN A 79 -11.991 1.800 -13.954 1.00 0.77 O ATOM 815 ND2 ASN A 79 -9.967 1.131 -14.644 1.00 0.59 N ATOM 0 H ASN A 79 -10.028 1.584 -9.485 1.00 0.21 H new ATOM 0 HA ASN A 79 -12.076 2.326 -11.436 1.00 0.23 H new ATOM 0 HB2 ASN A 79 -9.868 3.032 -12.403 1.00 0.31 H new ATOM 0 HB3 ASN A 79 -9.292 1.387 -12.223 1.00 0.31 H new ATOM 0 HD21 ASN A 79 -10.320 0.874 -15.566 1.00 0.59 H new ATOM 0 HD22 ASN A 79 -8.979 1.005 -14.423 1.00 0.59 H new ATOM 822 N ALA A 80 -12.760 -0.035 -11.062 1.00 0.28 N ATOM 823 CA ALA A 80 -13.216 -1.422 -10.968 1.00 0.38 C ATOM 824 C ALA A 80 -12.631 -2.120 -9.737 1.00 0.46 C ATOM 825 O ALA A 80 -12.187 -3.270 -9.809 1.00 0.95 O ATOM 826 CB ALA A 80 -12.869 -2.182 -12.242 1.00 0.45 C ATOM 0 H ALA A 80 -13.516 0.649 -11.090 1.00 0.28 H new ATOM 0 HA ALA A 80 -14.300 -1.414 -10.854 1.00 0.38 H new ATOM 0 HB1 ALA A 80 -13.215 -3.212 -12.157 1.00 0.45 H new ATOM 0 HB2 ALA A 80 -13.355 -1.706 -13.094 1.00 0.45 H new ATOM 0 HB3 ALA A 80 -11.789 -2.173 -12.388 1.00 0.45 H new ATOM 832 N GLY A 81 -12.618 -1.410 -8.613 1.00 0.24 N ATOM 833 CA GLY A 81 -12.090 -1.966 -7.383 1.00 0.21 C ATOM 834 C GLY A 81 -10.589 -1.792 -7.260 1.00 0.21 C ATOM 835 O GLY A 81 -10.017 -1.992 -6.189 1.00 0.31 O ATOM 0 H GLY A 81 -12.966 -0.455 -8.534 1.00 0.24 H new ATOM 0 HA2 GLY A 81 -12.578 -1.488 -6.534 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -12.334 -3.027 -7.335 1.00 0.21 H new ATOM 839 N LYS A 82 -9.949 -1.421 -8.357 1.00 0.19 N ATOM 840 CA LYS A 82 -8.513 -1.227 -8.367 1.00 0.20 C ATOM 841 C LYS A 82 -8.147 0.111 -7.751 1.00 0.20 C ATOM 842 O LYS A 82 -8.603 1.165 -8.198 1.00 0.26 O ATOM 843 CB LYS A 82 -7.977 -1.323 -9.789 1.00 0.23 C ATOM 844 CG LYS A 82 -8.167 -2.697 -10.400 1.00 0.26 C ATOM 845 CD LYS A 82 -7.325 -3.735 -9.683 1.00 0.23 C ATOM 846 CE LYS A 82 -7.617 -5.133 -10.199 1.00 0.41 C ATOM 847 NZ LYS A 82 -6.506 -6.079 -9.923 1.00 1.32 N ATOM 0 H LYS A 82 -10.405 -1.248 -9.253 1.00 0.19 H new ATOM 0 HA LYS A 82 -8.056 -2.014 -7.768 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.478 -0.582 -10.411 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -6.916 -1.074 -9.789 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -9.219 -2.979 -10.349 1.00 0.26 H new ATOM 0 HG3 LYS A 82 -7.895 -2.670 -11.455 1.00 0.26 H new ATOM 0 HD2 LYS A 82 -6.268 -3.507 -9.821 1.00 0.23 H new ATOM 0 HD3 LYS A 82 -7.524 -3.691 -8.612 1.00 0.23 H new ATOM 0 HE2 LYS A 82 -8.531 -5.505 -9.737 1.00 0.41 H new ATOM 0 HE3 LYS A 82 -7.797 -5.091 -11.273 1.00 0.41 H new ATOM 0 HZ1 LYS A 82 -6.245 -6.573 -10.800 1.00 1.32 H new ATOM 0 HZ2 LYS A 82 -5.684 -5.553 -9.563 1.00 1.32 H new ATOM 0 HZ3 LYS A 82 -6.811 -6.774 -9.212 1.00 1.32 H new ATOM 861 N PHE A 83 -7.321 0.049 -6.729 1.00 0.16 N ATOM 862 CA PHE A 83 -6.904 1.217 -5.980 1.00 0.16 C ATOM 863 C PHE A 83 -5.577 1.744 -6.516 1.00 0.16 C ATOM 864 O PHE A 83 -4.599 1.004 -6.638 1.00 0.17 O ATOM 865 CB PHE A 83 -6.818 0.836 -4.492 1.00 0.15 C ATOM 866 CG PHE A 83 -5.811 1.596 -3.678 1.00 0.16 C ATOM 867 CD1 PHE A 83 -6.137 2.810 -3.098 1.00 0.18 C ATOM 868 CD2 PHE A 83 -4.539 1.078 -3.476 1.00 0.19 C ATOM 869 CE1 PHE A 83 -5.213 3.493 -2.333 1.00 0.20 C ATOM 870 CE2 PHE A 83 -3.610 1.758 -2.714 1.00 0.22 C ATOM 871 CZ PHE A 83 -3.950 2.966 -2.143 1.00 0.22 C ATOM 0 H PHE A 83 -6.915 -0.823 -6.390 1.00 0.16 H new ATOM 0 HA PHE A 83 -7.630 2.022 -6.092 1.00 0.16 H new ATOM 0 HB2 PHE A 83 -7.801 0.978 -4.043 1.00 0.15 H new ATOM 0 HB3 PHE A 83 -6.586 -0.227 -4.422 1.00 0.15 H new ATOM 0 HD1 PHE A 83 -7.123 3.226 -3.245 1.00 0.18 H new ATOM 0 HD2 PHE A 83 -4.273 0.131 -3.921 1.00 0.19 H new ATOM 0 HE1 PHE A 83 -5.477 4.439 -1.883 1.00 0.20 H new ATOM 0 HE2 PHE A 83 -2.623 1.346 -2.566 1.00 0.22 H new ATOM 0 HZ PHE A 83 -3.227 3.502 -1.546 1.00 0.22 H new ATOM 881 N MET A 84 -5.565 3.023 -6.860 1.00 0.19 N ATOM 882 CA MET A 84 -4.402 3.649 -7.468 1.00 0.19 C ATOM 883 C MET A 84 -3.975 4.860 -6.669 1.00 0.24 C ATOM 884 O MET A 84 -4.737 5.349 -5.848 1.00 0.44 O ATOM 885 CB MET A 84 -4.729 4.066 -8.896 1.00 0.22 C ATOM 886 CG MET A 84 -5.419 2.980 -9.676 1.00 0.21 C ATOM 887 SD MET A 84 -5.855 3.476 -11.345 1.00 0.25 S ATOM 888 CE MET A 84 -6.457 1.908 -11.938 1.00 0.23 C ATOM 0 H MET A 84 -6.356 3.652 -6.726 1.00 0.19 H new ATOM 0 HA MET A 84 -3.584 2.929 -7.478 1.00 0.19 H new ATOM 0 HB2 MET A 84 -5.364 4.952 -8.875 1.00 0.22 H new ATOM 0 HB3 MET A 84 -3.808 4.346 -9.408 1.00 0.22 H new ATOM 0 HG2 MET A 84 -4.770 2.106 -9.722 1.00 0.21 H new ATOM 0 HG3 MET A 84 -6.322 2.679 -9.146 1.00 0.21 H new ATOM 0 HE1 MET A 84 -7.134 2.072 -12.776 1.00 0.23 H new ATOM 0 HE2 MET A 84 -5.617 1.295 -12.264 1.00 0.23 H new ATOM 0 HE3 MET A 84 -6.989 1.396 -11.136 1.00 0.23 H new ATOM 898 N GLY A 85 -2.766 5.341 -6.913 1.00 0.19 N ATOM 899 CA GLY A 85 -2.293 6.525 -6.224 1.00 0.23 C ATOM 900 C GLY A 85 -1.203 7.245 -6.982 1.00 0.30 C ATOM 901 O GLY A 85 -0.089 6.751 -7.071 1.00 0.61 O ATOM 0 H GLY A 85 -2.104 4.934 -7.574 1.00 0.19 H new ATOM 0 HA2 GLY A 85 -3.129 7.206 -6.064 1.00 0.23 H new ATOM 0 HA3 GLY A 85 -1.920 6.243 -5.240 1.00 0.23 H new ATOM 905 N ASN A 86 -1.511 8.415 -7.528 1.00 0.27 N ATOM 906 CA ASN A 86 -0.517 9.177 -8.277 1.00 0.30 C ATOM 907 C ASN A 86 0.519 9.737 -7.310 1.00 0.24 C ATOM 908 O ASN A 86 0.214 10.621 -6.517 1.00 0.23 O ATOM 909 CB ASN A 86 -1.201 10.309 -9.050 1.00 0.41 C ATOM 910 CG ASN A 86 -0.349 10.890 -10.169 1.00 0.58 C ATOM 911 OD1 ASN A 86 -0.873 11.285 -11.209 1.00 1.51 O ATOM 912 ND2 ASN A 86 0.955 10.971 -9.967 1.00 0.93 N ATOM 0 H ASN A 86 -2.430 8.854 -7.468 1.00 0.27 H new ATOM 0 HA ASN A 86 -0.018 8.526 -8.994 1.00 0.30 H new ATOM 0 HB2 ASN A 86 -2.134 9.936 -9.472 1.00 0.41 H new ATOM 0 HB3 ASN A 86 -1.462 11.106 -8.354 1.00 0.41 H new ATOM 0 HD21 ASN A 86 1.559 11.371 -10.686 1.00 0.93 H new ATOM 0 HD22 ASN A 86 1.358 10.634 -9.093 1.00 0.93 H new ATOM 919 N PHE A 87 1.749 9.247 -7.414 1.00 0.23 N ATOM 920 CA PHE A 87 2.776 9.533 -6.419 1.00 0.20 C ATOM 921 C PHE A 87 3.670 10.706 -6.778 1.00 0.22 C ATOM 922 O PHE A 87 3.745 11.147 -7.927 1.00 0.30 O ATOM 923 CB PHE A 87 3.657 8.305 -6.193 1.00 0.24 C ATOM 924 CG PHE A 87 3.101 7.335 -5.197 1.00 0.20 C ATOM 925 CD1 PHE A 87 3.293 7.526 -3.841 1.00 0.23 C ATOM 926 CD2 PHE A 87 2.383 6.231 -5.624 1.00 0.23 C ATOM 927 CE1 PHE A 87 2.784 6.631 -2.922 1.00 0.27 C ATOM 928 CE2 PHE A 87 1.868 5.330 -4.715 1.00 0.27 C ATOM 929 CZ PHE A 87 2.069 5.544 -3.341 1.00 0.28 C ATOM 0 H PHE A 87 2.060 8.648 -8.179 1.00 0.23 H new ATOM 0 HA PHE A 87 2.233 9.800 -5.512 1.00 0.20 H new ATOM 0 HB2 PHE A 87 3.800 7.792 -7.144 1.00 0.24 H new ATOM 0 HB3 PHE A 87 4.641 8.633 -5.857 1.00 0.24 H new ATOM 0 HD1 PHE A 87 3.848 8.386 -3.497 1.00 0.23 H new ATOM 0 HD2 PHE A 87 2.224 6.073 -6.681 1.00 0.23 H new ATOM 0 HE1 PHE A 87 2.951 6.790 -1.867 1.00 0.27 H new ATOM 0 HE2 PHE A 87 1.315 4.468 -5.057 1.00 0.27 H new ATOM 0 HZ PHE A 87 1.660 4.853 -2.619 1.00 0.28 H new ATOM 939 N ASN A 88 4.325 11.198 -5.742 1.00 0.21 N ATOM 940 CA ASN A 88 5.398 12.165 -5.841 1.00 0.26 C ATOM 941 C ASN A 88 6.346 11.916 -4.677 1.00 0.27 C ATOM 942 O ASN A 88 6.276 12.583 -3.641 1.00 0.42 O ATOM 943 CB ASN A 88 4.866 13.584 -5.786 1.00 0.34 C ATOM 944 CG ASN A 88 5.922 14.616 -6.143 1.00 1.15 C ATOM 945 OD1 ASN A 88 6.094 14.964 -7.309 1.00 2.02 O ATOM 946 ND2 ASN A 88 6.620 15.130 -5.144 1.00 1.66 N ATOM 0 H ASN A 88 4.117 10.926 -4.781 1.00 0.21 H new ATOM 0 HA ASN A 88 5.913 12.051 -6.795 1.00 0.26 H new ATOM 0 HB2 ASN A 88 4.023 13.679 -6.471 1.00 0.34 H new ATOM 0 HB3 ASN A 88 4.487 13.788 -4.784 1.00 0.34 H new ATOM 0 HD21 ASN A 88 7.329 15.840 -5.329 1.00 1.66 H new ATOM 0 HD22 ASN A 88 6.450 14.817 -4.188 1.00 1.66 H new ATOM 953 N VAL A 89 7.198 10.924 -4.841 1.00 0.24 N ATOM 954 CA VAL A 89 8.004 10.414 -3.735 1.00 0.24 C ATOM 955 C VAL A 89 9.412 10.992 -3.743 1.00 0.30 C ATOM 956 O VAL A 89 10.038 11.148 -4.793 1.00 0.34 O ATOM 957 CB VAL A 89 8.128 8.867 -3.757 1.00 0.24 C ATOM 958 CG1 VAL A 89 8.173 8.307 -2.350 1.00 0.28 C ATOM 959 CG2 VAL A 89 7.000 8.216 -4.550 1.00 0.25 C ATOM 0 H VAL A 89 7.355 10.450 -5.730 1.00 0.24 H new ATOM 0 HA VAL A 89 7.478 10.725 -2.833 1.00 0.24 H new ATOM 0 HB VAL A 89 9.066 8.629 -4.259 1.00 0.24 H new ATOM 0 HG11 VAL A 89 8.260 7.221 -2.393 1.00 0.28 H new ATOM 0 HG12 VAL A 89 9.033 8.719 -1.822 1.00 0.28 H new ATOM 0 HG13 VAL A 89 7.259 8.577 -1.822 1.00 0.28 H new ATOM 0 HG21 VAL A 89 7.126 7.133 -4.540 1.00 0.25 H new ATOM 0 HG22 VAL A 89 6.042 8.474 -4.099 1.00 0.25 H new ATOM 0 HG23 VAL A 89 7.025 8.574 -5.579 1.00 0.25 H new ATOM 969 N LYS A 90 9.888 11.307 -2.552 1.00 0.33 N ATOM 970 CA LYS A 90 11.264 11.695 -2.330 1.00 0.41 C ATOM 971 C LYS A 90 12.045 10.445 -1.948 1.00 0.33 C ATOM 972 O LYS A 90 11.649 9.719 -1.034 1.00 0.35 O ATOM 973 CB LYS A 90 11.331 12.763 -1.232 1.00 0.54 C ATOM 974 CG LYS A 90 12.734 13.252 -0.910 1.00 0.99 C ATOM 975 CD LYS A 90 13.409 12.401 0.158 1.00 1.48 C ATOM 976 CE LYS A 90 12.668 12.475 1.487 1.00 2.27 C ATOM 977 NZ LYS A 90 13.370 11.718 2.557 1.00 2.81 N ATOM 0 H LYS A 90 9.321 11.300 -1.704 1.00 0.33 H new ATOM 0 HA LYS A 90 11.700 12.129 -3.230 1.00 0.41 H new ATOM 0 HB2 LYS A 90 10.724 13.616 -1.535 1.00 0.54 H new ATOM 0 HB3 LYS A 90 10.883 12.360 -0.324 1.00 0.54 H new ATOM 0 HG2 LYS A 90 13.338 13.240 -1.817 1.00 0.99 H new ATOM 0 HG3 LYS A 90 12.687 14.287 -0.572 1.00 0.99 H new ATOM 0 HD2 LYS A 90 13.454 11.365 -0.177 1.00 1.48 H new ATOM 0 HD3 LYS A 90 14.437 12.736 0.295 1.00 1.48 H new ATOM 0 HE2 LYS A 90 12.565 13.518 1.788 1.00 2.27 H new ATOM 0 HE3 LYS A 90 11.660 12.078 1.363 1.00 2.27 H new ATOM 0 HZ1 LYS A 90 13.000 12.006 3.486 1.00 2.81 H new ATOM 0 HZ2 LYS A 90 13.212 10.699 2.422 1.00 2.81 H new ATOM 0 HZ3 LYS A 90 14.389 11.919 2.513 1.00 2.81 H new ATOM 991 N GLU A 91 13.136 10.185 -2.640 1.00 0.41 N ATOM 992 CA GLU A 91 13.811 8.906 -2.520 1.00 0.44 C ATOM 993 C GLU A 91 15.325 9.067 -2.545 1.00 0.46 C ATOM 994 O GLU A 91 15.869 9.960 -3.194 1.00 0.62 O ATOM 995 CB GLU A 91 13.372 7.986 -3.648 1.00 0.72 C ATOM 996 CG GLU A 91 13.431 6.508 -3.330 1.00 0.52 C ATOM 997 CD GLU A 91 13.196 5.654 -4.562 1.00 1.20 C ATOM 998 OE1 GLU A 91 14.167 5.415 -5.311 1.00 1.68 O ATOM 999 OE2 GLU A 91 12.046 5.237 -4.798 1.00 1.57 O ATOM 0 H GLU A 91 13.574 10.839 -3.289 1.00 0.41 H new ATOM 0 HA GLU A 91 13.537 8.470 -1.560 1.00 0.44 H new ATOM 0 HB2 GLU A 91 12.350 8.241 -3.927 1.00 0.72 H new ATOM 0 HB3 GLU A 91 13.998 8.180 -4.519 1.00 0.72 H new ATOM 0 HG2 GLU A 91 14.404 6.267 -2.902 1.00 0.52 H new ATOM 0 HG3 GLU A 91 12.682 6.269 -2.575 1.00 0.52 H new ATOM 1006 N VAL A 92 15.975 8.191 -1.812 1.00 0.45 N ATOM 1007 CA VAL A 92 17.427 8.166 -1.677 1.00 0.43 C ATOM 1008 C VAL A 92 17.980 6.936 -2.382 1.00 0.41 C ATOM 1009 O VAL A 92 17.240 6.011 -2.695 1.00 0.40 O ATOM 1010 CB VAL A 92 17.862 8.120 -0.199 1.00 0.44 C ATOM 1011 CG1 VAL A 92 17.240 9.249 0.577 1.00 0.53 C ATOM 1012 CG2 VAL A 92 17.509 6.800 0.424 1.00 0.40 C ATOM 0 H VAL A 92 15.506 7.458 -1.280 1.00 0.45 H new ATOM 0 HA VAL A 92 17.817 9.080 -2.126 1.00 0.43 H new ATOM 0 HB VAL A 92 18.945 8.235 -0.166 1.00 0.44 H new ATOM 0 HG11 VAL A 92 17.561 9.196 1.617 1.00 0.53 H new ATOM 0 HG12 VAL A 92 17.553 10.201 0.148 1.00 0.53 H new ATOM 0 HG13 VAL A 92 16.154 9.169 0.528 1.00 0.53 H new ATOM 0 HG21 VAL A 92 17.827 6.793 1.467 1.00 0.40 H new ATOM 0 HG22 VAL A 92 16.431 6.650 0.372 1.00 0.40 H new ATOM 0 HG23 VAL A 92 18.013 5.997 -0.114 1.00 0.40 H new ATOM 1022 N ASP A 93 19.254 6.936 -2.675 1.00 0.44 N ATOM 1023 CA ASP A 93 19.888 5.749 -3.225 1.00 0.45 C ATOM 1024 C ASP A 93 20.895 5.204 -2.233 1.00 0.46 C ATOM 1025 O ASP A 93 21.537 5.964 -1.509 1.00 0.57 O ATOM 1026 CB ASP A 93 20.553 6.060 -4.557 1.00 0.56 C ATOM 1027 CG ASP A 93 21.173 4.835 -5.199 1.00 1.17 C ATOM 1028 OD1 ASP A 93 20.416 3.924 -5.598 1.00 1.78 O ATOM 1029 OD2 ASP A 93 22.414 4.784 -5.319 1.00 1.83 O ATOM 0 H ASP A 93 19.876 7.734 -2.546 1.00 0.44 H new ATOM 0 HA ASP A 93 19.125 4.991 -3.405 1.00 0.45 H new ATOM 0 HB2 ASP A 93 19.815 6.488 -5.236 1.00 0.56 H new ATOM 0 HB3 ASP A 93 21.324 6.816 -4.406 1.00 0.56 H new ATOM 1034 N GLY A 94 21.013 3.889 -2.188 1.00 0.42 N ATOM 1035 CA GLY A 94 21.859 3.259 -1.195 1.00 0.43 C ATOM 1036 C GLY A 94 21.062 2.727 -0.020 1.00 0.40 C ATOM 1037 O GLY A 94 21.466 1.772 0.639 1.00 0.48 O ATOM 0 H GLY A 94 20.539 3.244 -2.820 1.00 0.42 H new ATOM 0 HA2 GLY A 94 22.412 2.441 -1.657 1.00 0.43 H new ATOM 0 HA3 GLY A 94 22.595 3.979 -0.837 1.00 0.43 H new ATOM 1041 N CYS A 95 19.911 3.337 0.233 1.00 0.33 N ATOM 1042 CA CYS A 95 19.056 2.939 1.346 1.00 0.31 C ATOM 1043 C CYS A 95 18.125 1.837 0.891 1.00 0.27 C ATOM 1044 O CYS A 95 17.810 0.914 1.634 1.00 0.32 O ATOM 1045 CB CYS A 95 18.248 4.135 1.849 1.00 0.33 C ATOM 1046 SG CYS A 95 17.301 3.809 3.371 1.00 0.42 S ATOM 0 H CYS A 95 19.546 4.113 -0.320 1.00 0.33 H new ATOM 0 HA CYS A 95 19.677 2.575 2.164 1.00 0.31 H new ATOM 0 HB2 CYS A 95 18.927 4.968 2.028 1.00 0.33 H new ATOM 0 HB3 CYS A 95 17.558 4.449 1.065 1.00 0.33 H new ATOM 1051 N PHE A 96 17.702 1.940 -0.352 1.00 0.24 N ATOM 1052 CA PHE A 96 16.913 0.902 -0.976 1.00 0.23 C ATOM 1053 C PHE A 96 17.842 0.070 -1.850 1.00 0.24 C ATOM 1054 O PHE A 96 17.442 -0.419 -2.904 1.00 0.23 O ATOM 1055 CB PHE A 96 15.785 1.510 -1.818 1.00 0.24 C ATOM 1056 CG PHE A 96 15.157 2.726 -1.194 1.00 0.23 C ATOM 1057 CD1 PHE A 96 15.740 3.947 -1.394 1.00 0.30 C ATOM 1058 CD2 PHE A 96 14.022 2.658 -0.398 1.00 0.21 C ATOM 1059 CE1 PHE A 96 15.223 5.085 -0.819 1.00 0.35 C ATOM 1060 CE2 PHE A 96 13.496 3.793 0.175 1.00 0.24 C ATOM 1061 CZ PHE A 96 14.104 5.008 -0.032 1.00 0.31 C ATOM 0 H PHE A 96 17.895 2.741 -0.954 1.00 0.24 H new ATOM 0 HA PHE A 96 16.450 0.275 -0.214 1.00 0.23 H new ATOM 0 HB2 PHE A 96 16.178 1.777 -2.799 1.00 0.24 H new ATOM 0 HB3 PHE A 96 15.015 0.755 -1.978 1.00 0.24 H new ATOM 0 HD1 PHE A 96 16.621 4.019 -2.014 1.00 0.30 H new ATOM 0 HD2 PHE A 96 13.546 1.704 -0.226 1.00 0.21 H new ATOM 0 HE1 PHE A 96 15.699 6.039 -0.988 1.00 0.35 H new ATOM 0 HE2 PHE A 96 12.608 3.729 0.786 1.00 0.24 H new ATOM 0 HZ PHE A 96 13.701 5.900 0.425 1.00 0.31 H new ATOM 1071 N MET A 97 19.088 -0.072 -1.379 1.00 0.27 N ATOM 1072 CA MET A 97 20.149 -0.758 -2.106 1.00 0.29 C ATOM 1073 C MET A 97 20.071 -0.458 -3.601 1.00 0.31 C ATOM 1074 O MET A 97 20.246 0.689 -4.015 1.00 0.40 O ATOM 1075 CB MET A 97 20.102 -2.263 -1.828 1.00 0.29 C ATOM 1076 CG MET A 97 20.359 -2.616 -0.368 1.00 0.33 C ATOM 1077 SD MET A 97 20.941 -4.314 -0.136 1.00 0.45 S ATOM 1078 CE MET A 97 19.606 -5.262 -0.868 1.00 1.22 C ATOM 0 H MET A 97 19.384 0.292 -0.473 1.00 0.27 H new ATOM 0 HA MET A 97 21.109 -0.383 -1.752 1.00 0.29 H new ATOM 0 HB2 MET A 97 19.126 -2.649 -2.121 1.00 0.29 H new ATOM 0 HB3 MET A 97 20.843 -2.764 -2.451 1.00 0.29 H new ATOM 0 HG2 MET A 97 21.098 -1.927 0.041 1.00 0.33 H new ATOM 0 HG3 MET A 97 19.440 -2.473 0.201 1.00 0.33 H new ATOM 0 HE1 MET A 97 20.005 -6.182 -1.296 1.00 1.22 H new ATOM 0 HE2 MET A 97 18.871 -5.507 -0.101 1.00 1.22 H new ATOM 0 HE3 MET A 97 19.130 -4.674 -1.653 1.00 1.22 H new ATOM 1088 N ASP A 98 19.793 -1.474 -4.404 1.00 0.30 N ATOM 1089 CA ASP A 98 19.549 -1.279 -5.823 1.00 0.31 C ATOM 1090 C ASP A 98 18.270 -1.974 -6.213 1.00 0.26 C ATOM 1091 O ASP A 98 17.386 -1.382 -6.832 1.00 0.25 O ATOM 1092 CB ASP A 98 20.701 -1.842 -6.659 1.00 0.40 C ATOM 1093 CG ASP A 98 22.030 -1.175 -6.380 1.00 1.01 C ATOM 1094 OD1 ASP A 98 22.756 -1.627 -5.473 1.00 1.19 O ATOM 1095 OD2 ASP A 98 22.350 -0.178 -7.057 1.00 1.64 O ATOM 0 H ASP A 98 19.731 -2.444 -4.095 1.00 0.30 H new ATOM 0 HA ASP A 98 19.469 -0.209 -6.014 1.00 0.31 H new ATOM 0 HB2 ASP A 98 20.792 -2.911 -6.465 1.00 0.40 H new ATOM 0 HB3 ASP A 98 20.461 -1.729 -7.716 1.00 0.40 H new ATOM 1100 N ALA A 99 18.150 -3.219 -5.793 1.00 0.24 N ATOM 1101 CA ALA A 99 17.032 -4.041 -6.187 1.00 0.24 C ATOM 1102 C ALA A 99 15.811 -3.690 -5.362 1.00 0.20 C ATOM 1103 O ALA A 99 14.679 -3.875 -5.793 1.00 0.20 O ATOM 1104 CB ALA A 99 17.373 -5.514 -6.056 1.00 0.28 C ATOM 0 H ALA A 99 18.818 -3.681 -5.176 1.00 0.24 H new ATOM 0 HA ALA A 99 16.807 -3.845 -7.235 1.00 0.24 H new ATOM 0 HB1 ALA A 99 16.515 -6.114 -6.359 1.00 0.28 H new ATOM 0 HB2 ALA A 99 18.224 -5.749 -6.696 1.00 0.28 H new ATOM 0 HB3 ALA A 99 17.625 -5.738 -5.020 1.00 0.28 H new ATOM 1110 N GLN A 100 16.063 -3.166 -4.177 1.00 0.18 N ATOM 1111 CA GLN A 100 15.000 -2.730 -3.293 1.00 0.16 C ATOM 1112 C GLN A 100 14.321 -1.514 -3.892 1.00 0.14 C ATOM 1113 O GLN A 100 13.108 -1.363 -3.833 1.00 0.13 O ATOM 1114 CB GLN A 100 15.554 -2.375 -1.920 1.00 0.19 C ATOM 1115 CG GLN A 100 16.507 -3.418 -1.353 1.00 0.23 C ATOM 1116 CD GLN A 100 16.813 -3.204 0.115 1.00 0.29 C ATOM 1117 OE1 GLN A 100 17.048 -4.156 0.857 1.00 0.83 O ATOM 1118 NE2 GLN A 100 16.817 -1.954 0.546 1.00 1.27 N ATOM 0 H GLN A 100 17.002 -3.032 -3.803 1.00 0.18 H new ATOM 0 HA GLN A 100 14.282 -3.542 -3.179 1.00 0.16 H new ATOM 0 HB2 GLN A 100 16.073 -1.419 -1.984 1.00 0.19 H new ATOM 0 HB3 GLN A 100 14.723 -2.241 -1.227 1.00 0.19 H new ATOM 0 HG2 GLN A 100 16.074 -4.409 -1.487 1.00 0.23 H new ATOM 0 HG3 GLN A 100 17.438 -3.397 -1.919 1.00 0.23 H new ATOM 0 HE21 GLN A 100 16.617 -1.191 -0.101 1.00 1.27 H new ATOM 0 HE22 GLN A 100 17.020 -1.753 1.525 1.00 1.27 H new ATOM 1127 N LYS A 101 15.138 -0.652 -4.465 1.00 0.16 N ATOM 1128 CA LYS A 101 14.661 0.517 -5.178 1.00 0.17 C ATOM 1129 C LYS A 101 13.820 0.090 -6.373 1.00 0.17 C ATOM 1130 O LYS A 101 12.726 0.609 -6.595 1.00 0.17 O ATOM 1131 CB LYS A 101 15.858 1.351 -5.623 1.00 0.23 C ATOM 1132 CG LYS A 101 15.497 2.556 -6.453 1.00 0.28 C ATOM 1133 CD LYS A 101 16.739 3.361 -6.811 1.00 0.50 C ATOM 1134 CE LYS A 101 17.781 2.485 -7.489 1.00 1.21 C ATOM 1135 NZ LYS A 101 19.042 3.216 -7.772 1.00 1.85 N ATOM 0 H LYS A 101 16.154 -0.743 -4.449 1.00 0.16 H new ATOM 0 HA LYS A 101 14.033 1.121 -4.523 1.00 0.17 H new ATOM 0 HB2 LYS A 101 16.404 1.683 -4.740 1.00 0.23 H new ATOM 0 HB3 LYS A 101 16.535 0.718 -6.197 1.00 0.23 H new ATOM 0 HG2 LYS A 101 14.991 2.237 -7.364 1.00 0.28 H new ATOM 0 HG3 LYS A 101 14.797 3.185 -5.903 1.00 0.28 H new ATOM 0 HD2 LYS A 101 16.465 4.184 -7.472 1.00 0.50 H new ATOM 0 HD3 LYS A 101 17.162 3.803 -5.909 1.00 0.50 H new ATOM 0 HE2 LYS A 101 17.998 1.626 -6.854 1.00 1.21 H new ATOM 0 HE3 LYS A 101 17.373 2.097 -8.422 1.00 1.21 H new ATOM 0 HZ1 LYS A 101 19.763 2.546 -8.108 1.00 1.85 H new ATOM 0 HZ2 LYS A 101 18.870 3.935 -8.503 1.00 1.85 H new ATOM 0 HZ3 LYS A 101 19.377 3.679 -6.903 1.00 1.85 H new ATOM 1149 N ILE A 102 14.349 -0.856 -7.143 1.00 0.17 N ATOM 1150 CA ILE A 102 13.585 -1.515 -8.196 1.00 0.18 C ATOM 1151 C ILE A 102 12.268 -2.063 -7.656 1.00 0.15 C ATOM 1152 O ILE A 102 11.212 -1.838 -8.238 1.00 0.15 O ATOM 1153 CB ILE A 102 14.401 -2.662 -8.810 1.00 0.20 C ATOM 1154 CG1 ILE A 102 15.703 -2.101 -9.366 1.00 0.23 C ATOM 1155 CG2 ILE A 102 13.605 -3.378 -9.901 1.00 0.21 C ATOM 1156 CD1 ILE A 102 16.718 -3.160 -9.711 1.00 0.25 C ATOM 0 H ILE A 102 15.311 -1.185 -7.056 1.00 0.17 H new ATOM 0 HA ILE A 102 13.367 -0.772 -8.964 1.00 0.18 H new ATOM 0 HB ILE A 102 14.625 -3.398 -8.038 1.00 0.20 H new ATOM 0 HG12 ILE A 102 15.484 -1.515 -10.259 1.00 0.23 H new ATOM 0 HG13 ILE A 102 16.136 -1.419 -8.635 1.00 0.23 H new ATOM 0 HG21 ILE A 102 14.206 -4.186 -10.319 1.00 0.21 H new ATOM 0 HG22 ILE A 102 12.691 -3.790 -9.474 1.00 0.21 H new ATOM 0 HG23 ILE A 102 13.350 -2.670 -10.689 1.00 0.21 H new ATOM 0 HD11 ILE A 102 17.619 -2.687 -10.101 1.00 0.25 H new ATOM 0 HD12 ILE A 102 16.966 -3.731 -8.817 1.00 0.25 H new ATOM 0 HD13 ILE A 102 16.304 -3.829 -10.466 1.00 0.25 H new ATOM 1168 N ALA A 103 12.347 -2.771 -6.532 1.00 0.13 N ATOM 1169 CA ALA A 103 11.170 -3.308 -5.848 1.00 0.11 C ATOM 1170 C ALA A 103 10.145 -2.214 -5.580 1.00 0.10 C ATOM 1171 O ALA A 103 8.941 -2.423 -5.700 1.00 0.10 O ATOM 1172 CB ALA A 103 11.587 -3.934 -4.531 1.00 0.11 C ATOM 0 H ALA A 103 13.229 -2.990 -6.068 1.00 0.13 H new ATOM 0 HA ALA A 103 10.716 -4.060 -6.493 1.00 0.11 H new ATOM 0 HB1 ALA A 103 10.709 -4.333 -4.024 1.00 0.11 H new ATOM 0 HB2 ALA A 103 12.295 -4.741 -4.720 1.00 0.11 H new ATOM 0 HB3 ALA A 103 12.057 -3.178 -3.902 1.00 0.11 H new ATOM 1178 N ILE A 104 10.649 -1.050 -5.227 1.00 0.10 N ATOM 1179 CA ILE A 104 9.824 0.086 -4.871 1.00 0.11 C ATOM 1180 C ILE A 104 9.213 0.719 -6.108 1.00 0.12 C ATOM 1181 O ILE A 104 8.057 1.143 -6.098 1.00 0.13 O ATOM 1182 CB ILE A 104 10.669 1.095 -4.090 1.00 0.11 C ATOM 1183 CG1 ILE A 104 10.993 0.508 -2.737 1.00 0.14 C ATOM 1184 CG2 ILE A 104 9.988 2.437 -3.920 1.00 0.15 C ATOM 1185 CD1 ILE A 104 11.587 1.516 -1.811 1.00 0.17 C ATOM 0 H ILE A 104 11.651 -0.864 -5.179 1.00 0.10 H new ATOM 0 HA ILE A 104 9.000 -0.248 -4.241 1.00 0.11 H new ATOM 0 HB ILE A 104 11.577 1.282 -4.664 1.00 0.11 H new ATOM 0 HG12 ILE A 104 10.085 0.101 -2.293 1.00 0.14 H new ATOM 0 HG13 ILE A 104 11.688 -0.323 -2.861 1.00 0.14 H new ATOM 0 HG21 ILE A 104 10.639 3.107 -3.358 1.00 0.15 H new ATOM 0 HG22 ILE A 104 9.783 2.868 -4.900 1.00 0.15 H new ATOM 0 HG23 ILE A 104 9.051 2.304 -3.379 1.00 0.15 H new ATOM 0 HD11 ILE A 104 11.803 1.046 -0.851 1.00 0.17 H new ATOM 0 HD12 ILE A 104 12.510 1.905 -2.240 1.00 0.17 H new ATOM 0 HD13 ILE A 104 10.882 2.335 -1.664 1.00 0.17 H new ATOM 1197 N ASP A 105 9.993 0.752 -7.174 1.00 0.13 N ATOM 1198 CA ASP A 105 9.497 1.179 -8.475 1.00 0.16 C ATOM 1199 C ASP A 105 8.365 0.265 -8.900 1.00 0.14 C ATOM 1200 O ASP A 105 7.304 0.707 -9.348 1.00 0.17 O ATOM 1201 CB ASP A 105 10.612 1.109 -9.506 1.00 0.21 C ATOM 1202 CG ASP A 105 10.171 1.571 -10.880 1.00 0.36 C ATOM 1203 OD1 ASP A 105 10.191 2.792 -11.138 1.00 0.53 O ATOM 1204 OD2 ASP A 105 9.819 0.712 -11.714 1.00 0.44 O ATOM 0 H ASP A 105 10.978 0.487 -7.166 1.00 0.13 H new ATOM 0 HA ASP A 105 9.140 2.206 -8.404 1.00 0.16 H new ATOM 0 HB2 ASP A 105 11.448 1.723 -9.172 1.00 0.21 H new ATOM 0 HB3 ASP A 105 10.976 0.084 -9.572 1.00 0.21 H new ATOM 1209 N LYS A 106 8.621 -1.020 -8.736 1.00 0.13 N ATOM 1210 CA LYS A 106 7.633 -2.058 -8.985 1.00 0.13 C ATOM 1211 C LYS A 106 6.379 -1.822 -8.148 1.00 0.12 C ATOM 1212 O LYS A 106 5.269 -1.798 -8.672 1.00 0.14 O ATOM 1213 CB LYS A 106 8.222 -3.422 -8.624 1.00 0.14 C ATOM 1214 CG LYS A 106 9.353 -3.876 -9.515 1.00 0.16 C ATOM 1215 CD LYS A 106 10.204 -4.928 -8.821 1.00 0.18 C ATOM 1216 CE LYS A 106 11.090 -5.675 -9.798 1.00 0.22 C ATOM 1217 NZ LYS A 106 12.081 -6.538 -9.103 1.00 0.29 N ATOM 0 H LYS A 106 9.525 -1.377 -8.425 1.00 0.13 H new ATOM 0 HA LYS A 106 7.365 -2.032 -10.041 1.00 0.13 H new ATOM 0 HB2 LYS A 106 8.580 -3.387 -7.595 1.00 0.14 H new ATOM 0 HB3 LYS A 106 7.427 -4.167 -8.660 1.00 0.14 H new ATOM 0 HG2 LYS A 106 8.950 -4.283 -10.442 1.00 0.16 H new ATOM 0 HG3 LYS A 106 9.973 -3.022 -9.785 1.00 0.16 H new ATOM 0 HD2 LYS A 106 10.823 -4.450 -8.062 1.00 0.18 H new ATOM 0 HD3 LYS A 106 9.556 -5.636 -8.305 1.00 0.18 H new ATOM 0 HE2 LYS A 106 10.471 -6.288 -10.453 1.00 0.22 H new ATOM 0 HE3 LYS A 106 11.614 -4.960 -10.432 1.00 0.22 H new ATOM 0 HZ1 LYS A 106 12.609 -7.094 -9.805 1.00 0.29 H new ATOM 0 HZ2 LYS A 106 12.742 -5.943 -8.564 1.00 0.29 H new ATOM 0 HZ3 LYS A 106 11.586 -7.181 -8.453 1.00 0.29 H new ATOM 1231 N LEU A 107 6.575 -1.618 -6.847 1.00 0.10 N ATOM 1232 CA LEU A 107 5.473 -1.441 -5.912 1.00 0.11 C ATOM 1233 C LEU A 107 4.642 -0.204 -6.250 1.00 0.10 C ATOM 1234 O LEU A 107 3.419 -0.276 -6.304 1.00 0.11 O ATOM 1235 CB LEU A 107 6.026 -1.375 -4.466 1.00 0.13 C ATOM 1236 CG LEU A 107 5.735 -0.095 -3.671 1.00 0.11 C ATOM 1237 CD1 LEU A 107 4.319 -0.099 -3.118 1.00 0.13 C ATOM 1238 CD2 LEU A 107 6.744 0.060 -2.547 1.00 0.15 C ATOM 0 H LEU A 107 7.498 -1.571 -6.416 1.00 0.10 H new ATOM 0 HA LEU A 107 4.804 -2.298 -5.994 1.00 0.11 H new ATOM 0 HB2 LEU A 107 5.622 -2.220 -3.909 1.00 0.13 H new ATOM 0 HB3 LEU A 107 7.107 -1.510 -4.509 1.00 0.13 H new ATOM 0 HG LEU A 107 5.824 0.754 -4.348 1.00 0.11 H new ATOM 0 HD11 LEU A 107 4.144 0.821 -2.560 1.00 0.13 H new ATOM 0 HD12 LEU A 107 3.607 -0.165 -3.941 1.00 0.13 H new ATOM 0 HD13 LEU A 107 4.189 -0.955 -2.456 1.00 0.13 H new ATOM 0 HD21 LEU A 107 6.529 0.971 -1.988 1.00 0.15 H new ATOM 0 HD22 LEU A 107 6.679 -0.799 -1.879 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.749 0.119 -2.966 1.00 0.15 H new ATOM 1250 N PHE A 108 5.305 0.915 -6.503 1.00 0.10 N ATOM 1251 CA PHE A 108 4.602 2.175 -6.738 1.00 0.11 C ATOM 1252 C PHE A 108 3.863 2.199 -8.073 1.00 0.12 C ATOM 1253 O PHE A 108 2.766 2.753 -8.165 1.00 0.14 O ATOM 1254 CB PHE A 108 5.556 3.362 -6.617 1.00 0.12 C ATOM 1255 CG PHE A 108 5.822 3.755 -5.189 1.00 0.12 C ATOM 1256 CD1 PHE A 108 4.908 3.473 -4.186 1.00 0.15 C ATOM 1257 CD2 PHE A 108 6.998 4.405 -4.849 1.00 0.17 C ATOM 1258 CE1 PHE A 108 5.165 3.835 -2.876 1.00 0.16 C ATOM 1259 CE2 PHE A 108 7.258 4.770 -3.546 1.00 0.17 C ATOM 1260 CZ PHE A 108 6.284 4.476 -2.544 1.00 0.14 C ATOM 0 H PHE A 108 6.322 0.980 -6.551 1.00 0.10 H new ATOM 0 HA PHE A 108 3.842 2.260 -5.961 1.00 0.11 H new ATOM 0 HB2 PHE A 108 6.500 3.114 -7.102 1.00 0.12 H new ATOM 0 HB3 PHE A 108 5.137 4.215 -7.151 1.00 0.12 H new ATOM 0 HD1 PHE A 108 3.986 2.966 -4.430 1.00 0.15 H new ATOM 0 HD2 PHE A 108 7.722 4.629 -5.618 1.00 0.17 H new ATOM 0 HE1 PHE A 108 4.445 3.593 -2.108 1.00 0.16 H new ATOM 0 HE2 PHE A 108 8.180 5.269 -3.288 1.00 0.17 H new ATOM 0 HZ PHE A 108 6.454 4.773 -1.520 1.00 0.14 H new ATOM 1270 N SER A 109 4.443 1.603 -9.101 1.00 0.13 N ATOM 1271 CA SER A 109 3.768 1.507 -10.384 1.00 0.14 C ATOM 1272 C SER A 109 2.548 0.586 -10.285 1.00 0.14 C ATOM 1273 O SER A 109 1.582 0.743 -11.029 1.00 0.16 O ATOM 1274 CB SER A 109 4.747 1.020 -11.448 1.00 0.17 C ATOM 1275 OG SER A 109 5.313 -0.228 -11.092 1.00 1.14 O ATOM 0 H SER A 109 5.372 1.182 -9.074 1.00 0.13 H new ATOM 0 HA SER A 109 3.410 2.495 -10.673 1.00 0.14 H new ATOM 0 HB2 SER A 109 4.232 0.929 -12.405 1.00 0.17 H new ATOM 0 HB3 SER A 109 5.539 1.757 -11.581 1.00 0.17 H new ATOM 0 HG SER A 109 6.052 -0.085 -10.465 1.00 1.14 H new ATOM 1281 N MET A 110 2.598 -0.364 -9.351 1.00 0.13 N ATOM 1282 CA MET A 110 1.491 -1.292 -9.129 1.00 0.14 C ATOM 1283 C MET A 110 0.206 -0.579 -8.761 1.00 0.14 C ATOM 1284 O MET A 110 -0.829 -0.801 -9.387 1.00 0.16 O ATOM 1285 CB MET A 110 1.796 -2.246 -7.995 1.00 0.13 C ATOM 1286 CG MET A 110 2.785 -3.332 -8.311 1.00 0.17 C ATOM 1287 SD MET A 110 2.714 -4.618 -7.061 1.00 0.23 S ATOM 1288 CE MET A 110 2.327 -3.632 -5.620 1.00 0.14 C ATOM 0 H MET A 110 3.397 -0.511 -8.734 1.00 0.13 H new ATOM 0 HA MET A 110 1.367 -1.825 -10.072 1.00 0.14 H new ATOM 0 HB2 MET A 110 2.173 -1.670 -7.150 1.00 0.13 H new ATOM 0 HB3 MET A 110 0.864 -2.710 -7.673 1.00 0.13 H new ATOM 0 HG2 MET A 110 2.570 -3.756 -9.292 1.00 0.17 H new ATOM 0 HG3 MET A 110 3.791 -2.915 -8.358 1.00 0.17 H new ATOM 0 HE1 MET A 110 2.421 -4.245 -4.724 1.00 0.14 H new ATOM 0 HE2 MET A 110 3.018 -2.791 -5.558 1.00 0.14 H new ATOM 0 HE3 MET A 110 1.306 -3.258 -5.699 1.00 0.14 H new ATOM 1298 N LEU A 111 0.267 0.265 -7.729 1.00 0.14 N ATOM 1299 CA LEU A 111 -0.931 0.932 -7.242 1.00 0.15 C ATOM 1300 C LEU A 111 -1.510 1.745 -8.363 1.00 0.17 C ATOM 1301 O LEU A 111 -2.699 1.724 -8.622 1.00 0.18 O ATOM 1302 CB LEU A 111 -0.667 1.893 -6.073 1.00 0.17 C ATOM 1303 CG LEU A 111 0.246 1.418 -4.940 1.00 0.15 C ATOM 1304 CD1 LEU A 111 0.164 -0.089 -4.731 1.00 0.17 C ATOM 1305 CD2 LEU A 111 1.674 1.879 -5.178 1.00 0.15 C ATOM 0 H LEU A 111 1.122 0.497 -7.224 1.00 0.14 H new ATOM 0 HA LEU A 111 -1.603 0.150 -6.888 1.00 0.15 H new ATOM 0 HB2 LEU A 111 -0.240 2.808 -6.484 1.00 0.17 H new ATOM 0 HB3 LEU A 111 -1.630 2.159 -5.636 1.00 0.17 H new ATOM 0 HG LEU A 111 -0.107 1.875 -4.015 1.00 0.15 H new ATOM 0 HD11 LEU A 111 0.828 -0.380 -3.917 1.00 0.17 H new ATOM 0 HD12 LEU A 111 -0.860 -0.366 -4.480 1.00 0.17 H new ATOM 0 HD13 LEU A 111 0.465 -0.600 -5.646 1.00 0.17 H new ATOM 0 HD21 LEU A 111 2.309 1.532 -4.363 1.00 0.15 H new ATOM 0 HD22 LEU A 111 2.037 1.468 -6.120 1.00 0.15 H new ATOM 0 HD23 LEU A 111 1.702 2.968 -5.222 1.00 0.15 H new ATOM 1317 N LYS A 112 -0.622 2.424 -9.055 1.00 0.19 N ATOM 1318 CA LYS A 112 -0.999 3.356 -10.087 1.00 0.22 C ATOM 1319 C LYS A 112 -1.564 2.636 -11.302 1.00 0.21 C ATOM 1320 O LYS A 112 -2.318 3.219 -12.080 1.00 0.24 O ATOM 1321 CB LYS A 112 0.212 4.199 -10.459 1.00 0.29 C ATOM 1322 CG LYS A 112 0.619 5.166 -9.358 1.00 0.36 C ATOM 1323 CD LYS A 112 1.762 6.067 -9.785 1.00 0.47 C ATOM 1324 CE LYS A 112 1.272 7.187 -10.688 1.00 1.22 C ATOM 1325 NZ LYS A 112 1.060 6.755 -12.097 1.00 1.82 N ATOM 0 H LYS A 112 0.385 2.343 -8.915 1.00 0.19 H new ATOM 0 HA LYS A 112 -1.788 4.007 -9.711 1.00 0.22 H new ATOM 0 HB2 LYS A 112 1.051 3.541 -10.686 1.00 0.29 H new ATOM 0 HB3 LYS A 112 -0.008 4.761 -11.367 1.00 0.29 H new ATOM 0 HG2 LYS A 112 -0.239 5.777 -9.077 1.00 0.36 H new ATOM 0 HG3 LYS A 112 0.913 4.603 -8.472 1.00 0.36 H new ATOM 0 HD2 LYS A 112 2.243 6.491 -8.904 1.00 0.47 H new ATOM 0 HD3 LYS A 112 2.516 5.479 -10.308 1.00 0.47 H new ATOM 0 HE2 LYS A 112 0.337 7.582 -10.291 1.00 1.22 H new ATOM 0 HE3 LYS A 112 1.995 8.002 -10.670 1.00 1.22 H new ATOM 0 HZ1 LYS A 112 1.420 7.487 -12.742 1.00 1.82 H new ATOM 0 HZ2 LYS A 112 1.567 5.863 -12.267 1.00 1.82 H new ATOM 0 HZ3 LYS A 112 0.044 6.613 -12.267 1.00 1.82 H new ATOM 1339 N ASP A 113 -1.214 1.367 -11.458 1.00 0.20 N ATOM 1340 CA ASP A 113 -1.770 0.565 -12.527 1.00 0.22 C ATOM 1341 C ASP A 113 -3.086 -0.017 -12.054 1.00 0.21 C ATOM 1342 O ASP A 113 -3.934 -0.435 -12.838 1.00 0.24 O ATOM 1343 CB ASP A 113 -0.807 -0.553 -12.880 1.00 0.25 C ATOM 1344 CG ASP A 113 -1.145 -1.212 -14.204 1.00 0.35 C ATOM 1345 OD1 ASP A 113 -1.183 -0.507 -15.235 1.00 0.51 O ATOM 1346 OD2 ASP A 113 -1.361 -2.439 -14.225 1.00 0.46 O ATOM 0 H ASP A 113 -0.550 0.877 -10.858 1.00 0.20 H new ATOM 0 HA ASP A 113 -1.932 1.179 -13.413 1.00 0.22 H new ATOM 0 HB2 ASP A 113 0.207 -0.155 -12.924 1.00 0.25 H new ATOM 0 HB3 ASP A 113 -0.821 -1.304 -12.090 1.00 0.25 H new ATOM 1351 N GLY A 114 -3.229 -0.021 -10.743 1.00 0.18 N ATOM 1352 CA GLY A 114 -4.455 -0.436 -10.111 1.00 0.17 C ATOM 1353 C GLY A 114 -4.263 -1.669 -9.258 1.00 0.15 C ATOM 1354 O GLY A 114 -4.355 -2.790 -9.751 1.00 0.18 O ATOM 0 H GLY A 114 -2.497 0.264 -10.092 1.00 0.18 H new ATOM 0 HA2 GLY A 114 -4.837 0.376 -9.493 1.00 0.17 H new ATOM 0 HA3 GLY A 114 -5.207 -0.637 -10.874 1.00 0.17 H new ATOM 1358 N VAL A 115 -3.989 -1.465 -7.979 1.00 0.14 N ATOM 1359 CA VAL A 115 -3.808 -2.565 -7.050 1.00 0.12 C ATOM 1360 C VAL A 115 -5.061 -2.688 -6.189 1.00 0.12 C ATOM 1361 O VAL A 115 -5.588 -1.692 -5.713 1.00 0.13 O ATOM 1362 CB VAL A 115 -2.540 -2.359 -6.170 1.00 0.12 C ATOM 1363 CG1 VAL A 115 -2.876 -2.196 -4.700 1.00 0.12 C ATOM 1364 CG2 VAL A 115 -1.546 -3.488 -6.380 1.00 0.14 C ATOM 0 H VAL A 115 -3.887 -0.541 -7.560 1.00 0.14 H new ATOM 0 HA VAL A 115 -3.657 -3.489 -7.608 1.00 0.12 H new ATOM 0 HB VAL A 115 -2.077 -1.426 -6.493 1.00 0.12 H new ATOM 0 HG11 VAL A 115 -1.957 -2.055 -4.130 1.00 0.12 H new ATOM 0 HG12 VAL A 115 -3.521 -1.327 -4.568 1.00 0.12 H new ATOM 0 HG13 VAL A 115 -3.391 -3.088 -4.343 1.00 0.12 H new ATOM 0 HG21 VAL A 115 -0.669 -3.322 -5.755 1.00 0.14 H new ATOM 0 HG22 VAL A 115 -2.010 -4.436 -6.109 1.00 0.14 H new ATOM 0 HG23 VAL A 115 -1.245 -3.517 -7.427 1.00 0.14 H new ATOM 1374 N VAL A 116 -5.563 -3.891 -6.017 1.00 0.12 N ATOM 1375 CA VAL A 116 -6.771 -4.076 -5.244 1.00 0.13 C ATOM 1376 C VAL A 116 -6.474 -4.731 -3.905 1.00 0.10 C ATOM 1377 O VAL A 116 -5.853 -5.793 -3.826 1.00 0.15 O ATOM 1378 CB VAL A 116 -7.842 -4.867 -6.024 1.00 0.19 C ATOM 1379 CG1 VAL A 116 -7.308 -6.198 -6.517 1.00 0.22 C ATOM 1380 CG2 VAL A 116 -9.102 -5.054 -5.181 1.00 0.23 C ATOM 0 H VAL A 116 -5.159 -4.747 -6.397 1.00 0.12 H new ATOM 0 HA VAL A 116 -7.180 -3.084 -5.051 1.00 0.13 H new ATOM 0 HB VAL A 116 -8.108 -4.281 -6.904 1.00 0.19 H new ATOM 0 HG11 VAL A 116 -8.091 -6.725 -7.061 1.00 0.22 H new ATOM 0 HG12 VAL A 116 -6.459 -6.027 -7.179 1.00 0.22 H new ATOM 0 HG13 VAL A 116 -6.989 -6.800 -5.666 1.00 0.22 H new ATOM 0 HG21 VAL A 116 -9.842 -5.614 -5.752 1.00 0.23 H new ATOM 0 HG22 VAL A 116 -8.854 -5.603 -4.272 1.00 0.23 H new ATOM 0 HG23 VAL A 116 -9.510 -4.079 -4.916 1.00 0.23 H new ATOM 1390 N LEU A 117 -6.900 -4.048 -2.862 1.00 0.11 N ATOM 1391 CA LEU A 117 -6.737 -4.500 -1.493 1.00 0.11 C ATOM 1392 C LEU A 117 -7.780 -5.579 -1.196 1.00 0.12 C ATOM 1393 O LEU A 117 -8.960 -5.364 -1.457 1.00 0.16 O ATOM 1394 CB LEU A 117 -6.880 -3.288 -0.564 1.00 0.15 C ATOM 1395 CG LEU A 117 -5.650 -2.350 -0.481 1.00 0.13 C ATOM 1396 CD1 LEU A 117 -4.924 -2.215 -1.811 1.00 0.26 C ATOM 1397 CD2 LEU A 117 -6.068 -0.972 0.001 1.00 0.24 C ATOM 0 H LEU A 117 -7.376 -3.150 -2.942 1.00 0.11 H new ATOM 0 HA LEU A 117 -5.753 -4.940 -1.334 1.00 0.11 H new ATOM 0 HB2 LEU A 117 -7.738 -2.702 -0.893 1.00 0.15 H new ATOM 0 HB3 LEU A 117 -7.106 -3.649 0.440 1.00 0.15 H new ATOM 0 HG LEU A 117 -4.960 -2.805 0.230 1.00 0.13 H new ATOM 0 HD11 LEU A 117 -4.071 -1.546 -1.694 1.00 0.26 H new ATOM 0 HD12 LEU A 117 -4.575 -3.195 -2.136 1.00 0.26 H new ATOM 0 HD13 LEU A 117 -5.605 -1.807 -2.558 1.00 0.26 H new ATOM 0 HD21 LEU A 117 -5.193 -0.324 0.054 1.00 0.24 H new ATOM 0 HD22 LEU A 117 -6.792 -0.547 -0.694 1.00 0.24 H new ATOM 0 HD23 LEU A 117 -6.519 -1.054 0.990 1.00 0.24 H new ATOM 1409 N LYS A 118 -7.319 -6.737 -0.685 1.00 0.14 N ATOM 1410 CA LYS A 118 -8.139 -7.946 -0.464 1.00 0.18 C ATOM 1411 C LYS A 118 -7.237 -9.172 -0.523 1.00 0.22 C ATOM 1412 O LYS A 118 -6.127 -9.101 -1.045 1.00 0.27 O ATOM 1413 CB LYS A 118 -9.260 -8.126 -1.504 1.00 0.20 C ATOM 1414 CG LYS A 118 -10.620 -7.598 -1.052 1.00 0.19 C ATOM 1415 CD LYS A 118 -11.731 -7.913 -2.037 1.00 0.34 C ATOM 1416 CE LYS A 118 -11.579 -7.139 -3.335 1.00 0.39 C ATOM 1417 NZ LYS A 118 -10.588 -7.751 -4.257 1.00 0.80 N ATOM 0 H LYS A 118 -6.345 -6.862 -0.408 1.00 0.14 H new ATOM 0 HA LYS A 118 -8.612 -7.829 0.511 1.00 0.18 H new ATOM 0 HB2 LYS A 118 -8.972 -7.618 -2.424 1.00 0.20 H new ATOM 0 HB3 LYS A 118 -9.354 -9.186 -1.741 1.00 0.20 H new ATOM 0 HG2 LYS A 118 -10.868 -8.029 -0.082 1.00 0.19 H new ATOM 0 HG3 LYS A 118 -10.558 -6.518 -0.915 1.00 0.19 H new ATOM 0 HD2 LYS A 118 -11.733 -8.982 -2.251 1.00 0.34 H new ATOM 0 HD3 LYS A 118 -12.694 -7.676 -1.585 1.00 0.34 H new ATOM 0 HE2 LYS A 118 -12.546 -7.082 -3.834 1.00 0.39 H new ATOM 0 HE3 LYS A 118 -11.276 -6.117 -3.110 1.00 0.39 H new ATOM 0 HZ1 LYS A 118 -10.893 -7.606 -5.241 1.00 0.80 H new ATOM 0 HZ2 LYS A 118 -9.659 -7.306 -4.114 1.00 0.80 H new ATOM 0 HZ3 LYS A 118 -10.517 -8.770 -4.063 1.00 0.80 H new ATOM 1431 N GLY A 119 -7.708 -10.292 0.000 1.00 0.31 N ATOM 1432 CA GLY A 119 -6.928 -11.509 -0.055 1.00 0.38 C ATOM 1433 C GLY A 119 -7.722 -12.728 0.357 1.00 0.53 C ATOM 1434 O GLY A 119 -8.921 -12.812 0.098 1.00 0.85 O ATOM 0 H GLY A 119 -8.614 -10.380 0.460 1.00 0.31 H new ATOM 0 HA2 GLY A 119 -6.553 -11.650 -1.069 1.00 0.38 H new ATOM 0 HA3 GLY A 119 -6.059 -11.409 0.596 1.00 0.38 H new ATOM 1519 N THR A 125 -5.898 -6.930 8.290 1.00 0.54 N ATOM 1520 CA THR A 125 -4.717 -6.770 7.465 1.00 0.40 C ATOM 1521 C THR A 125 -5.109 -6.483 6.018 1.00 0.29 C ATOM 1522 O THR A 125 -6.063 -7.062 5.495 1.00 0.34 O ATOM 1523 CB THR A 125 -3.825 -8.028 7.535 1.00 0.39 C ATOM 1524 OG1 THR A 125 -3.518 -8.344 8.898 1.00 0.51 O ATOM 1525 CG2 THR A 125 -2.535 -7.823 6.772 1.00 0.37 C ATOM 0 HA THR A 125 -4.149 -5.922 7.848 1.00 0.40 H new ATOM 0 HB THR A 125 -4.377 -8.851 7.082 1.00 0.39 H new ATOM 0 HG1 THR A 125 -4.270 -8.086 9.471 1.00 0.51 H new ATOM 0 HG21 THR A 125 -1.926 -8.725 6.838 1.00 0.37 H new ATOM 0 HG22 THR A 125 -2.760 -7.613 5.726 1.00 0.37 H new ATOM 0 HG23 THR A 125 -1.988 -6.983 7.201 1.00 0.37 H new ATOM 1533 N ILE A 126 -4.377 -5.577 5.386 1.00 0.22 N ATOM 1534 CA ILE A 126 -4.663 -5.174 4.018 1.00 0.15 C ATOM 1535 C ILE A 126 -3.686 -5.857 3.070 1.00 0.14 C ATOM 1536 O ILE A 126 -2.529 -6.046 3.415 1.00 0.19 O ATOM 1537 CB ILE A 126 -4.550 -3.644 3.861 1.00 0.13 C ATOM 1538 CG1 ILE A 126 -5.136 -2.949 5.104 1.00 0.16 C ATOM 1539 CG2 ILE A 126 -5.281 -3.198 2.608 1.00 0.12 C ATOM 1540 CD1 ILE A 126 -5.187 -1.436 5.027 1.00 0.16 C ATOM 0 H ILE A 126 -3.575 -5.104 5.803 1.00 0.22 H new ATOM 0 HA ILE A 126 -5.683 -5.472 3.776 1.00 0.15 H new ATOM 0 HB ILE A 126 -3.500 -3.367 3.767 1.00 0.13 H new ATOM 0 HG12 ILE A 126 -6.146 -3.324 5.269 1.00 0.16 H new ATOM 0 HG13 ILE A 126 -4.544 -3.234 5.974 1.00 0.16 H new ATOM 0 HG21 ILE A 126 -5.197 -2.116 2.503 1.00 0.12 H new ATOM 0 HG22 ILE A 126 -4.839 -3.682 1.737 1.00 0.12 H new ATOM 0 HG23 ILE A 126 -6.333 -3.475 2.682 1.00 0.12 H new ATOM 0 HD11 ILE A 126 -5.614 -1.039 5.948 1.00 0.16 H new ATOM 0 HD12 ILE A 126 -4.178 -1.044 4.897 1.00 0.16 H new ATOM 0 HD13 ILE A 126 -5.805 -1.135 4.181 1.00 0.16 H new ATOM 1552 N LEU A 127 -4.138 -6.241 1.887 1.00 0.12 N ATOM 1553 CA LEU A 127 -3.284 -6.991 0.971 1.00 0.12 C ATOM 1554 C LEU A 127 -3.291 -6.363 -0.417 1.00 0.11 C ATOM 1555 O LEU A 127 -4.318 -5.881 -0.877 1.00 0.12 O ATOM 1556 CB LEU A 127 -3.728 -8.454 0.923 1.00 0.15 C ATOM 1557 CG LEU A 127 -4.033 -9.054 2.294 1.00 0.19 C ATOM 1558 CD1 LEU A 127 -4.706 -10.407 2.162 1.00 0.26 C ATOM 1559 CD2 LEU A 127 -2.752 -9.181 3.088 1.00 0.20 C ATOM 0 H LEU A 127 -5.078 -6.051 1.539 1.00 0.12 H new ATOM 0 HA LEU A 127 -2.258 -6.956 1.338 1.00 0.12 H new ATOM 0 HB2 LEU A 127 -4.617 -8.533 0.297 1.00 0.15 H new ATOM 0 HB3 LEU A 127 -2.947 -9.045 0.444 1.00 0.15 H new ATOM 0 HG LEU A 127 -4.720 -8.390 2.818 1.00 0.19 H new ATOM 0 HD11 LEU A 127 -4.911 -10.810 3.154 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -5.642 -10.296 1.615 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -4.049 -11.089 1.622 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -2.971 -9.609 4.066 1.00 0.20 H new ATOM 0 HD22 LEU A 127 -2.057 -9.830 2.555 1.00 0.20 H new ATOM 0 HD23 LEU A 127 -2.304 -8.196 3.216 1.00 0.20 H new ATOM 1571 N ILE A 128 -2.133 -6.369 -1.068 1.00 0.11 N ATOM 1572 CA ILE A 128 -1.931 -5.623 -2.319 1.00 0.11 C ATOM 1573 C ILE A 128 -1.755 -6.552 -3.533 1.00 0.13 C ATOM 1574 O ILE A 128 -0.736 -7.235 -3.673 1.00 0.15 O ATOM 1575 CB ILE A 128 -0.693 -4.703 -2.205 1.00 0.10 C ATOM 1576 CG1 ILE A 128 -0.884 -3.670 -1.096 1.00 0.12 C ATOM 1577 CG2 ILE A 128 -0.404 -4.011 -3.523 1.00 0.11 C ATOM 1578 CD1 ILE A 128 0.310 -2.762 -0.916 1.00 0.12 C ATOM 0 H ILE A 128 -1.311 -6.884 -0.753 1.00 0.11 H new ATOM 0 HA ILE A 128 -2.830 -5.026 -2.476 1.00 0.11 H new ATOM 0 HB ILE A 128 0.163 -5.329 -1.952 1.00 0.10 H new ATOM 0 HG12 ILE A 128 -1.762 -3.064 -1.320 1.00 0.12 H new ATOM 0 HG13 ILE A 128 -1.084 -4.187 -0.157 1.00 0.12 H new ATOM 0 HG21 ILE A 128 0.471 -3.371 -3.414 1.00 0.11 H new ATOM 0 HG22 ILE A 128 -0.213 -4.759 -4.292 1.00 0.11 H new ATOM 0 HG23 ILE A 128 -1.263 -3.405 -3.812 1.00 0.11 H new ATOM 0 HD11 ILE A 128 0.110 -2.052 -0.114 1.00 0.12 H new ATOM 0 HD12 ILE A 128 1.186 -3.359 -0.662 1.00 0.12 H new ATOM 0 HD13 ILE A 128 0.497 -2.219 -1.842 1.00 0.12 H new ATOM 1590 N GLU A 129 -2.729 -6.542 -4.433 1.00 0.15 N ATOM 1591 CA GLU A 129 -2.716 -7.417 -5.584 1.00 0.19 C ATOM 1592 C GLU A 129 -3.020 -6.636 -6.864 1.00 0.17 C ATOM 1593 O GLU A 129 -3.911 -5.787 -6.882 1.00 0.19 O ATOM 1594 CB GLU A 129 -3.755 -8.519 -5.384 1.00 0.27 C ATOM 1595 CG GLU A 129 -4.310 -9.036 -6.687 1.00 0.34 C ATOM 1596 CD GLU A 129 -5.317 -10.154 -6.516 1.00 0.80 C ATOM 1597 OE1 GLU A 129 -4.944 -11.206 -5.958 1.00 1.62 O ATOM 1598 OE2 GLU A 129 -6.490 -9.979 -6.917 1.00 0.71 O ATOM 0 H GLU A 129 -3.543 -5.929 -4.381 1.00 0.15 H new ATOM 0 HA GLU A 129 -1.724 -7.858 -5.685 1.00 0.19 H new ATOM 0 HB2 GLU A 129 -3.303 -9.344 -4.833 1.00 0.27 H new ATOM 0 HB3 GLU A 129 -4.572 -8.136 -4.772 1.00 0.27 H new ATOM 0 HG2 GLU A 129 -4.781 -8.213 -7.224 1.00 0.34 H new ATOM 0 HG3 GLU A 129 -3.487 -9.391 -7.307 1.00 0.34 H new ATOM 1605 N LYS A 130 -2.286 -6.926 -7.932 1.00 0.18 N ATOM 1606 CA LYS A 130 -2.595 -6.368 -9.244 1.00 0.21 C ATOM 1607 C LYS A 130 -2.102 -7.308 -10.338 1.00 0.29 C ATOM 1608 O LYS A 130 -1.119 -8.027 -10.147 1.00 0.31 O ATOM 1609 CB LYS A 130 -2.075 -4.912 -9.422 1.00 0.16 C ATOM 1610 CG LYS A 130 -0.560 -4.688 -9.410 1.00 0.19 C ATOM 1611 CD LYS A 130 0.078 -4.971 -10.753 1.00 0.25 C ATOM 1612 CE LYS A 130 -0.314 -3.892 -11.740 1.00 0.25 C ATOM 1613 NZ LYS A 130 0.327 -4.073 -13.065 1.00 0.39 N ATOM 0 H LYS A 130 -1.474 -7.543 -7.916 1.00 0.18 H new ATOM 0 HA LYS A 130 -3.679 -6.289 -9.328 1.00 0.21 H new ATOM 0 HB2 LYS A 130 -2.462 -4.531 -10.367 1.00 0.16 H new ATOM 0 HB3 LYS A 130 -2.510 -4.302 -8.630 1.00 0.16 H new ATOM 0 HG2 LYS A 130 -0.350 -3.658 -9.122 1.00 0.19 H new ATOM 0 HG3 LYS A 130 -0.107 -5.329 -8.654 1.00 0.19 H new ATOM 0 HD2 LYS A 130 1.163 -5.008 -10.651 1.00 0.25 H new ATOM 0 HD3 LYS A 130 -0.241 -5.947 -11.120 1.00 0.25 H new ATOM 0 HE2 LYS A 130 -1.397 -3.891 -11.861 1.00 0.25 H new ATOM 0 HE3 LYS A 130 -0.038 -2.918 -11.337 1.00 0.25 H new ATOM 0 HZ1 LYS A 130 -0.315 -3.736 -13.810 1.00 0.39 H new ATOM 0 HZ2 LYS A 130 1.213 -3.529 -13.099 1.00 0.39 H new ATOM 0 HZ3 LYS A 130 0.534 -5.081 -13.216 1.00 0.39 H new ATOM 1627 N ASP A 131 -2.825 -7.314 -11.456 1.00 0.38 N ATOM 1628 CA ASP A 131 -2.587 -8.236 -12.577 1.00 0.49 C ATOM 1629 C ASP A 131 -3.027 -9.654 -12.239 1.00 0.47 C ATOM 1630 O ASP A 131 -2.586 -10.615 -12.869 1.00 0.52 O ATOM 1631 CB ASP A 131 -1.125 -8.242 -13.040 1.00 0.55 C ATOM 1632 CG ASP A 131 -0.734 -6.968 -13.751 1.00 0.76 C ATOM 1633 OD1 ASP A 131 -1.615 -6.339 -14.367 1.00 1.03 O ATOM 1634 OD2 ASP A 131 0.458 -6.598 -13.716 1.00 1.13 O ATOM 0 H ASP A 131 -3.603 -6.674 -11.616 1.00 0.38 H new ATOM 0 HA ASP A 131 -3.195 -7.863 -13.402 1.00 0.49 H new ATOM 0 HB2 ASP A 131 -0.475 -8.386 -12.177 1.00 0.55 H new ATOM 0 HB3 ASP A 131 -0.962 -9.090 -13.706 1.00 0.55 H new ATOM 1639 N GLY A 132 -3.899 -9.783 -11.249 1.00 0.48 N ATOM 1640 CA GLY A 132 -4.472 -11.078 -10.936 1.00 0.51 C ATOM 1641 C GLY A 132 -3.753 -11.806 -9.817 1.00 0.45 C ATOM 1642 O GLY A 132 -4.223 -12.848 -9.354 1.00 0.52 O ATOM 0 H GLY A 132 -4.220 -9.016 -10.658 1.00 0.48 H new ATOM 0 HA2 GLY A 132 -5.518 -10.946 -10.659 1.00 0.51 H new ATOM 0 HA3 GLY A 132 -4.456 -11.699 -11.832 1.00 0.51 H new ATOM 1646 N GLU A 133 -2.621 -11.274 -9.378 1.00 0.47 N ATOM 1647 CA GLU A 133 -1.861 -11.899 -8.302 1.00 0.45 C ATOM 1648 C GLU A 133 -1.467 -10.868 -7.261 1.00 0.33 C ATOM 1649 O GLU A 133 -1.302 -9.684 -7.560 1.00 0.30 O ATOM 1650 CB GLU A 133 -0.593 -12.585 -8.815 1.00 0.54 C ATOM 1651 CG GLU A 133 0.522 -11.602 -9.105 1.00 0.56 C ATOM 1652 CD GLU A 133 1.807 -12.248 -9.580 1.00 0.76 C ATOM 1653 OE1 GLU A 133 1.770 -12.926 -10.633 1.00 1.31 O ATOM 1654 OE2 GLU A 133 2.841 -12.108 -8.900 1.00 1.24 O ATOM 0 H GLU A 133 -2.210 -10.417 -9.747 1.00 0.47 H new ATOM 0 HA GLU A 133 -2.510 -12.654 -7.859 1.00 0.45 H new ATOM 0 HB2 GLU A 133 -0.251 -13.309 -8.076 1.00 0.54 H new ATOM 0 HB3 GLU A 133 -0.827 -13.142 -9.722 1.00 0.54 H new ATOM 0 HG2 GLU A 133 0.181 -10.896 -9.862 1.00 0.56 H new ATOM 0 HG3 GLU A 133 0.729 -11.027 -8.202 1.00 0.56 H new ATOM 1661 N VAL A 134 -1.331 -11.329 -6.040 1.00 0.32 N ATOM 1662 CA VAL A 134 -0.855 -10.494 -4.952 1.00 0.24 C ATOM 1663 C VAL A 134 0.662 -10.546 -4.914 1.00 0.22 C ATOM 1664 O VAL A 134 1.267 -11.617 -4.992 1.00 0.27 O ATOM 1665 CB VAL A 134 -1.435 -10.911 -3.579 1.00 0.24 C ATOM 1666 CG1 VAL A 134 -1.201 -12.377 -3.331 1.00 0.26 C ATOM 1667 CG2 VAL A 134 -0.856 -10.071 -2.453 1.00 0.21 C ATOM 0 H VAL A 134 -1.545 -12.289 -5.769 1.00 0.32 H new ATOM 0 HA VAL A 134 -1.198 -9.477 -5.140 1.00 0.24 H new ATOM 0 HB VAL A 134 -2.510 -10.732 -3.601 1.00 0.24 H new ATOM 0 HG11 VAL A 134 -1.615 -12.653 -2.361 1.00 0.26 H new ATOM 0 HG12 VAL A 134 -1.688 -12.960 -4.113 1.00 0.26 H new ATOM 0 HG13 VAL A 134 -0.130 -12.581 -3.339 1.00 0.26 H new ATOM 0 HG21 VAL A 134 -1.285 -10.390 -1.503 1.00 0.21 H new ATOM 0 HG22 VAL A 134 0.226 -10.198 -2.424 1.00 0.21 H new ATOM 0 HG23 VAL A 134 -1.093 -9.021 -2.623 1.00 0.21 H new ATOM 1677 N LYS A 135 1.273 -9.388 -4.836 1.00 0.19 N ATOM 1678 CA LYS A 135 2.718 -9.301 -4.816 1.00 0.21 C ATOM 1679 C LYS A 135 3.180 -8.375 -3.708 1.00 0.17 C ATOM 1680 O LYS A 135 4.376 -8.224 -3.471 1.00 0.18 O ATOM 1681 CB LYS A 135 3.252 -8.830 -6.171 1.00 0.29 C ATOM 1682 CG LYS A 135 2.446 -7.704 -6.794 1.00 0.34 C ATOM 1683 CD LYS A 135 1.425 -8.218 -7.798 1.00 0.29 C ATOM 1684 CE LYS A 135 2.028 -8.406 -9.189 1.00 0.52 C ATOM 1685 NZ LYS A 135 3.130 -9.409 -9.209 1.00 1.03 N ATOM 0 H LYS A 135 0.793 -8.490 -4.785 1.00 0.19 H new ATOM 0 HA LYS A 135 3.117 -10.296 -4.621 1.00 0.21 H new ATOM 0 HB2 LYS A 135 4.284 -8.500 -6.049 1.00 0.29 H new ATOM 0 HB3 LYS A 135 3.267 -9.676 -6.858 1.00 0.29 H new ATOM 0 HG2 LYS A 135 1.933 -7.148 -6.009 1.00 0.34 H new ATOM 0 HG3 LYS A 135 3.121 -7.006 -7.289 1.00 0.34 H new ATOM 0 HD2 LYS A 135 1.020 -9.168 -7.448 1.00 0.29 H new ATOM 0 HD3 LYS A 135 0.591 -7.518 -7.857 1.00 0.29 H new ATOM 0 HE2 LYS A 135 1.245 -8.719 -9.880 1.00 0.52 H new ATOM 0 HE3 LYS A 135 2.407 -7.449 -9.548 1.00 0.52 H new ATOM 0 HZ1 LYS A 135 3.342 -9.673 -10.193 1.00 1.03 H new ATOM 0 HZ2 LYS A 135 3.979 -9.000 -8.770 1.00 1.03 H new ATOM 0 HZ3 LYS A 135 2.839 -10.255 -8.679 1.00 1.03 H new ATOM 1699 N LEU A 136 2.224 -7.777 -3.021 1.00 0.14 N ATOM 1700 CA LEU A 136 2.509 -6.876 -1.931 1.00 0.14 C ATOM 1701 C LEU A 136 1.363 -6.964 -0.931 1.00 0.14 C ATOM 1702 O LEU A 136 0.336 -7.555 -1.236 1.00 0.14 O ATOM 1703 CB LEU A 136 2.625 -5.460 -2.480 1.00 0.14 C ATOM 1704 CG LEU A 136 3.659 -4.561 -1.818 1.00 0.13 C ATOM 1705 CD1 LEU A 136 5.066 -5.126 -1.972 1.00 0.16 C ATOM 1706 CD2 LEU A 136 3.566 -3.180 -2.428 1.00 0.14 C ATOM 0 H LEU A 136 1.229 -7.905 -3.207 1.00 0.14 H new ATOM 0 HA LEU A 136 3.445 -7.141 -1.439 1.00 0.14 H new ATOM 0 HB2 LEU A 136 2.858 -5.524 -3.543 1.00 0.14 H new ATOM 0 HB3 LEU A 136 1.650 -4.980 -2.395 1.00 0.14 H new ATOM 0 HG LEU A 136 3.452 -4.506 -0.749 1.00 0.13 H new ATOM 0 HD11 LEU A 136 5.780 -4.460 -1.488 1.00 0.16 H new ATOM 0 HD12 LEU A 136 5.116 -6.111 -1.507 1.00 0.16 H new ATOM 0 HD13 LEU A 136 5.310 -5.212 -3.031 1.00 0.16 H new ATOM 0 HD21 LEU A 136 4.303 -2.526 -1.962 1.00 0.14 H new ATOM 0 HD22 LEU A 136 3.761 -3.241 -3.499 1.00 0.14 H new ATOM 0 HD23 LEU A 136 2.567 -2.776 -2.264 1.00 0.14 H new ATOM 1718 N LYS A 137 1.532 -6.419 0.262 1.00 0.17 N ATOM 1719 CA LYS A 137 0.426 -6.328 1.201 1.00 0.20 C ATOM 1720 C LYS A 137 0.799 -5.415 2.356 1.00 0.18 C ATOM 1721 O LYS A 137 1.972 -5.133 2.575 1.00 0.22 O ATOM 1722 CB LYS A 137 0.029 -7.726 1.703 1.00 0.31 C ATOM 1723 CG LYS A 137 1.009 -8.352 2.666 1.00 0.35 C ATOM 1724 CD LYS A 137 0.673 -9.794 2.959 1.00 0.28 C ATOM 1725 CE LYS A 137 1.544 -10.304 4.096 1.00 0.31 C ATOM 1726 NZ LYS A 137 1.600 -11.786 4.159 1.00 0.76 N ATOM 0 H LYS A 137 2.415 -6.036 0.601 1.00 0.17 H new ATOM 0 HA LYS A 137 -0.438 -5.900 0.692 1.00 0.20 H new ATOM 0 HB2 LYS A 137 -0.945 -7.660 2.188 1.00 0.31 H new ATOM 0 HB3 LYS A 137 -0.087 -8.386 0.844 1.00 0.31 H new ATOM 0 HG2 LYS A 137 2.015 -8.292 2.250 1.00 0.35 H new ATOM 0 HG3 LYS A 137 1.015 -7.785 3.597 1.00 0.35 H new ATOM 0 HD2 LYS A 137 -0.380 -9.885 3.226 1.00 0.28 H new ATOM 0 HD3 LYS A 137 0.829 -10.402 2.068 1.00 0.28 H new ATOM 0 HE2 LYS A 137 2.554 -9.912 3.978 1.00 0.31 H new ATOM 0 HE3 LYS A 137 1.161 -9.919 5.041 1.00 0.31 H new ATOM 0 HZ1 LYS A 137 2.207 -12.077 4.952 1.00 0.76 H new ATOM 0 HZ2 LYS A 137 0.641 -12.164 4.300 1.00 0.76 H new ATOM 0 HZ3 LYS A 137 1.991 -12.157 3.269 1.00 0.76 H new ATOM 1740 N LEU A 138 -0.202 -4.927 3.064 1.00 0.18 N ATOM 1741 CA LEU A 138 0.021 -4.079 4.219 1.00 0.20 C ATOM 1742 C LEU A 138 -0.012 -4.928 5.473 1.00 0.21 C ATOM 1743 O LEU A 138 -0.997 -5.606 5.733 1.00 0.22 O ATOM 1744 CB LEU A 138 -1.024 -2.954 4.315 1.00 0.19 C ATOM 1745 CG LEU A 138 -1.060 -1.944 3.153 1.00 0.19 C ATOM 1746 CD1 LEU A 138 0.343 -1.529 2.725 1.00 0.21 C ATOM 1747 CD2 LEU A 138 -1.846 -2.495 1.975 1.00 0.17 C ATOM 0 H LEU A 138 -1.185 -5.105 2.857 1.00 0.18 H new ATOM 0 HA LEU A 138 0.997 -3.606 4.112 1.00 0.20 H new ATOM 0 HB2 LEU A 138 -2.010 -3.411 4.399 1.00 0.19 H new ATOM 0 HB3 LEU A 138 -0.848 -2.404 5.239 1.00 0.19 H new ATOM 0 HG LEU A 138 -1.570 -1.051 3.514 1.00 0.19 H new ATOM 0 HD11 LEU A 138 0.277 -0.816 1.903 1.00 0.21 H new ATOM 0 HD12 LEU A 138 0.858 -1.066 3.567 1.00 0.21 H new ATOM 0 HD13 LEU A 138 0.899 -2.408 2.399 1.00 0.21 H new ATOM 0 HD21 LEU A 138 -1.855 -1.761 1.169 1.00 0.17 H new ATOM 0 HD22 LEU A 138 -1.378 -3.415 1.624 1.00 0.17 H new ATOM 0 HD23 LEU A 138 -2.869 -2.705 2.287 1.00 0.17 H new ATOM 1759 N ILE A 139 1.081 -4.877 6.231 1.00 0.27 N ATOM 1760 CA ILE A 139 1.262 -5.632 7.462 1.00 0.30 C ATOM 1761 C ILE A 139 1.593 -7.095 7.177 1.00 0.37 C ATOM 1762 O ILE A 139 1.110 -7.686 6.207 1.00 0.42 O ATOM 1763 CB ILE A 139 0.035 -5.593 8.387 1.00 0.27 C ATOM 1764 CG1 ILE A 139 -0.625 -4.217 8.417 1.00 0.31 C ATOM 1765 CG2 ILE A 139 0.467 -5.977 9.776 1.00 0.35 C ATOM 1766 CD1 ILE A 139 -2.074 -4.288 8.798 1.00 0.41 C ATOM 0 H ILE A 139 1.884 -4.293 5.997 1.00 0.27 H new ATOM 0 HA ILE A 139 2.094 -5.144 7.970 1.00 0.30 H new ATOM 0 HB ILE A 139 -0.704 -6.295 8.001 1.00 0.27 H new ATOM 0 HG12 ILE A 139 -0.097 -3.579 9.125 1.00 0.31 H new ATOM 0 HG13 ILE A 139 -0.532 -3.751 7.436 1.00 0.31 H new ATOM 0 HG21 ILE A 139 -0.394 -5.954 10.444 1.00 0.35 H new ATOM 0 HG22 ILE A 139 0.888 -6.982 9.761 1.00 0.35 H new ATOM 0 HG23 ILE A 139 1.220 -5.273 10.130 1.00 0.35 H new ATOM 0 HD11 ILE A 139 -2.498 -3.284 8.805 1.00 0.41 H new ATOM 0 HD12 ILE A 139 -2.610 -4.903 8.076 1.00 0.41 H new ATOM 0 HD13 ILE A 139 -2.168 -4.728 9.791 1.00 0.41 H new ATOM 1847 N GLU B 554 -15.326 -6.690 3.488 1.00 0.36 N ATOM 1848 CA GLU B 554 -14.777 -7.871 2.839 1.00 0.33 C ATOM 1849 C GLU B 554 -13.579 -8.381 3.641 1.00 0.35 C ATOM 1850 O GLU B 554 -13.280 -7.836 4.704 1.00 0.40 O ATOM 1851 CB GLU B 554 -14.390 -7.508 1.402 1.00 0.32 C ATOM 1852 CG GLU B 554 -14.150 -8.696 0.495 1.00 0.29 C ATOM 1853 CD GLU B 554 -15.146 -9.809 0.722 1.00 0.46 C ATOM 1854 OE1 GLU B 554 -16.291 -9.690 0.255 1.00 0.65 O ATOM 1855 OE2 GLU B 554 -14.784 -10.801 1.390 1.00 0.63 O ATOM 0 HA GLU B 554 -15.515 -8.672 2.803 1.00 0.33 H new ATOM 0 HB2 GLU B 554 -15.180 -6.892 0.971 1.00 0.32 H new ATOM 0 HB3 GLU B 554 -13.487 -6.898 1.426 1.00 0.32 H new ATOM 0 HG2 GLU B 554 -14.203 -8.372 -0.544 1.00 0.29 H new ATOM 0 HG3 GLU B 554 -13.142 -9.076 0.659 1.00 0.29 H new ATOM 1862 N THR B 555 -12.925 -9.426 3.144 1.00 0.33 N ATOM 1863 CA THR B 555 -11.705 -9.962 3.734 1.00 0.35 C ATOM 1864 C THR B 555 -10.730 -8.814 4.017 1.00 0.34 C ATOM 1865 O THR B 555 -10.093 -8.746 5.069 1.00 0.45 O ATOM 1866 CB THR B 555 -11.106 -11.019 2.769 1.00 0.36 C ATOM 1867 OG1 THR B 555 -9.984 -11.689 3.345 1.00 0.45 O ATOM 1868 CG2 THR B 555 -10.710 -10.393 1.439 1.00 0.30 C ATOM 0 H THR B 555 -13.231 -9.929 2.311 1.00 0.33 H new ATOM 0 HA THR B 555 -11.914 -10.454 4.684 1.00 0.35 H new ATOM 0 HB THR B 555 -11.887 -11.757 2.589 1.00 0.36 H new ATOM 0 HG1 THR B 555 -9.635 -12.348 2.709 1.00 0.45 H new ATOM 0 HG21 THR B 555 -10.294 -11.160 0.786 1.00 0.30 H new ATOM 0 HG22 THR B 555 -11.589 -9.953 0.968 1.00 0.30 H new ATOM 0 HG23 THR B 555 -9.963 -9.618 1.610 1.00 0.30 H new ATOM 1876 N THR B 556 -10.687 -7.880 3.091 1.00 0.26 N ATOM 1877 CA THR B 556 -9.999 -6.628 3.289 1.00 0.23 C ATOM 1878 C THR B 556 -10.845 -5.513 2.711 1.00 0.21 C ATOM 1879 O THR B 556 -11.182 -4.547 3.391 1.00 0.22 O ATOM 1880 CB THR B 556 -8.636 -6.612 2.587 1.00 0.20 C ATOM 1881 OG1 THR B 556 -7.795 -7.655 3.083 1.00 0.24 O ATOM 1882 CG2 THR B 556 -7.965 -5.271 2.781 1.00 0.20 C ATOM 0 H THR B 556 -11.131 -7.971 2.177 1.00 0.26 H new ATOM 0 HA THR B 556 -9.838 -6.495 4.359 1.00 0.23 H new ATOM 0 HB THR B 556 -8.800 -6.779 1.522 1.00 0.20 H new ATOM 0 HG1 THR B 556 -7.304 -7.334 3.868 1.00 0.24 H new ATOM 0 HG21 THR B 556 -6.998 -5.272 2.278 1.00 0.20 H new ATOM 0 HG22 THR B 556 -8.593 -4.486 2.359 1.00 0.20 H new ATOM 0 HG23 THR B 556 -7.820 -5.087 3.846 1.00 0.20 H new ATOM 1890 N LEU B 557 -11.210 -5.705 1.447 1.00 0.20 N ATOM 1891 CA LEU B 557 -11.966 -4.739 0.676 1.00 0.19 C ATOM 1892 C LEU B 557 -11.120 -3.518 0.378 1.00 0.17 C ATOM 1893 O LEU B 557 -9.908 -3.635 0.251 1.00 0.18 O ATOM 1894 CB LEU B 557 -13.257 -4.341 1.383 1.00 0.21 C ATOM 1895 CG LEU B 557 -14.486 -4.379 0.487 1.00 0.21 C ATOM 1896 CD1 LEU B 557 -15.342 -3.170 0.755 1.00 0.23 C ATOM 1897 CD2 LEU B 557 -14.083 -4.473 -0.980 1.00 0.20 C ATOM 0 H LEU B 557 -10.982 -6.552 0.926 1.00 0.20 H new ATOM 0 HA LEU B 557 -12.242 -5.211 -0.267 1.00 0.19 H new ATOM 0 HB2 LEU B 557 -13.416 -5.008 2.230 1.00 0.21 H new ATOM 0 HB3 LEU B 557 -13.144 -3.335 1.786 1.00 0.21 H new ATOM 0 HG LEU B 557 -15.071 -5.270 0.714 1.00 0.21 H new ATOM 0 HD11 LEU B 557 -16.222 -3.198 0.113 1.00 0.23 H new ATOM 0 HD12 LEU B 557 -15.655 -3.170 1.799 1.00 0.23 H new ATOM 0 HD13 LEU B 557 -14.770 -2.266 0.547 1.00 0.23 H new ATOM 0 HD21 LEU B 557 -14.978 -4.499 -1.602 1.00 0.20 H new ATOM 0 HD22 LEU B 557 -13.480 -3.606 -1.248 1.00 0.20 H new ATOM 0 HD23 LEU B 557 -13.503 -5.382 -1.140 1.00 0.20 H new ATOM 1909 N LEU B 558 -11.778 -2.362 0.275 1.00 0.18 N ATOM 1910 CA LEU B 558 -11.131 -1.086 -0.043 1.00 0.18 C ATOM 1911 C LEU B 558 -11.054 -0.904 -1.544 1.00 0.19 C ATOM 1912 O LEU B 558 -10.008 -0.604 -2.113 1.00 0.23 O ATOM 1913 CB LEU B 558 -9.744 -0.946 0.618 1.00 0.16 C ATOM 1914 CG LEU B 558 -9.740 -0.670 2.130 1.00 0.16 C ATOM 1915 CD1 LEU B 558 -10.701 -1.572 2.869 1.00 0.17 C ATOM 1916 CD2 LEU B 558 -8.345 -0.846 2.689 1.00 0.16 C ATOM 0 H LEU B 558 -12.786 -2.284 0.411 1.00 0.18 H new ATOM 0 HA LEU B 558 -11.745 -0.289 0.375 1.00 0.18 H new ATOM 0 HB2 LEU B 558 -9.183 -1.862 0.435 1.00 0.16 H new ATOM 0 HB3 LEU B 558 -9.207 -0.139 0.120 1.00 0.16 H new ATOM 0 HG LEU B 558 -10.067 0.360 2.274 1.00 0.16 H new ATOM 0 HD11 LEU B 558 -10.667 -1.344 3.934 1.00 0.17 H new ATOM 0 HD12 LEU B 558 -11.712 -1.411 2.495 1.00 0.17 H new ATOM 0 HD13 LEU B 558 -10.418 -2.613 2.711 1.00 0.17 H new ATOM 0 HD21 LEU B 558 -8.355 -0.648 3.761 1.00 0.16 H new ATOM 0 HD22 LEU B 558 -8.008 -1.867 2.512 1.00 0.16 H new ATOM 0 HD23 LEU B 558 -7.666 -0.150 2.198 1.00 0.16 H new ATOM 1928 N GLU B 559 -12.205 -1.087 -2.167 1.00 0.19 N ATOM 1929 CA GLU B 559 -12.353 -0.924 -3.601 1.00 0.21 C ATOM 1930 C GLU B 559 -13.078 0.374 -3.909 1.00 0.24 C ATOM 1931 O GLU B 559 -13.230 0.766 -5.068 1.00 0.31 O ATOM 1932 CB GLU B 559 -13.111 -2.112 -4.178 1.00 0.22 C ATOM 1933 CG GLU B 559 -12.291 -3.385 -4.204 1.00 0.25 C ATOM 1934 CD GLU B 559 -13.056 -4.563 -4.772 1.00 0.29 C ATOM 1935 OE1 GLU B 559 -14.169 -4.850 -4.281 1.00 0.33 O ATOM 1936 OE2 GLU B 559 -12.562 -5.194 -5.731 1.00 0.38 O ATOM 0 H GLU B 559 -13.066 -1.354 -1.690 1.00 0.19 H new ATOM 0 HA GLU B 559 -11.366 -0.881 -4.061 1.00 0.21 H new ATOM 0 HB2 GLU B 559 -14.013 -2.280 -3.590 1.00 0.22 H new ATOM 0 HB3 GLU B 559 -13.432 -1.873 -5.192 1.00 0.22 H new ATOM 0 HG2 GLU B 559 -11.392 -3.221 -4.798 1.00 0.25 H new ATOM 0 HG3 GLU B 559 -11.965 -3.623 -3.191 1.00 0.25 H new ATOM 1943 N ASP B 560 -13.528 1.021 -2.849 1.00 0.25 N ATOM 1944 CA ASP B 560 -14.168 2.326 -2.932 1.00 0.31 C ATOM 1945 C ASP B 560 -13.678 3.144 -1.761 1.00 0.25 C ATOM 1946 O ASP B 560 -13.384 2.566 -0.718 1.00 0.26 O ATOM 1947 CB ASP B 560 -15.697 2.222 -2.860 1.00 0.45 C ATOM 1948 CG ASP B 560 -16.278 1.219 -3.835 1.00 0.74 C ATOM 1949 OD1 ASP B 560 -16.531 1.591 -4.998 1.00 0.90 O ATOM 1950 OD2 ASP B 560 -16.487 0.052 -3.438 1.00 0.95 O ATOM 0 H ASP B 560 -13.460 0.655 -1.899 1.00 0.25 H new ATOM 0 HA ASP B 560 -13.915 2.785 -3.888 1.00 0.31 H new ATOM 0 HB2 ASP B 560 -15.988 1.943 -1.847 1.00 0.45 H new ATOM 0 HB3 ASP B 560 -16.130 3.203 -3.057 1.00 0.45 H new ATOM 1955 N GLU B 561 -13.585 4.460 -1.903 1.00 0.26 N ATOM 1956 CA GLU B 561 -13.013 5.281 -0.839 1.00 0.26 C ATOM 1957 C GLU B 561 -13.755 5.058 0.469 1.00 0.26 C ATOM 1958 O GLU B 561 -13.147 4.775 1.496 1.00 0.29 O ATOM 1959 CB GLU B 561 -13.049 6.770 -1.177 1.00 0.30 C ATOM 1960 CG GLU B 561 -12.411 7.617 -0.087 1.00 0.35 C ATOM 1961 CD GLU B 561 -12.897 9.051 -0.076 1.00 0.45 C ATOM 1962 OE1 GLU B 561 -13.999 9.312 0.446 1.00 0.68 O ATOM 1963 OE2 GLU B 561 -12.189 9.922 -0.615 1.00 0.69 O ATOM 0 H GLU B 561 -13.891 4.976 -2.728 1.00 0.26 H new ATOM 0 HA GLU B 561 -11.972 4.974 -0.736 1.00 0.26 H new ATOM 0 HB2 GLU B 561 -12.529 6.940 -2.120 1.00 0.30 H new ATOM 0 HB3 GLU B 561 -14.083 7.084 -1.322 1.00 0.30 H new ATOM 0 HG2 GLU B 561 -12.618 7.164 0.882 1.00 0.35 H new ATOM 0 HG3 GLU B 561 -11.329 7.609 -0.218 1.00 0.35 H new ATOM 1970 N LYS B 562 -15.073 5.159 0.407 1.00 0.30 N ATOM 1971 CA LYS B 562 -15.916 5.042 1.586 1.00 0.39 C ATOM 1972 C LYS B 562 -15.638 3.748 2.341 1.00 0.34 C ATOM 1973 O LYS B 562 -15.414 3.768 3.541 1.00 0.40 O ATOM 1974 CB LYS B 562 -17.380 5.078 1.162 1.00 0.51 C ATOM 1975 CG LYS B 562 -18.356 5.229 2.318 1.00 0.74 C ATOM 1976 CD LYS B 562 -18.132 6.532 3.070 1.00 1.73 C ATOM 1977 CE LYS B 562 -19.239 6.791 4.078 1.00 2.39 C ATOM 1978 NZ LYS B 562 -20.563 6.931 3.418 1.00 3.03 N ATOM 0 H LYS B 562 -15.587 5.324 -0.458 1.00 0.30 H new ATOM 0 HA LYS B 562 -15.694 5.877 2.251 1.00 0.39 H new ATOM 0 HB2 LYS B 562 -17.526 5.905 0.467 1.00 0.51 H new ATOM 0 HB3 LYS B 562 -17.613 4.161 0.621 1.00 0.51 H new ATOM 0 HG2 LYS B 562 -19.378 5.197 1.939 1.00 0.74 H new ATOM 0 HG3 LYS B 562 -18.243 4.388 3.003 1.00 0.74 H new ATOM 0 HD2 LYS B 562 -17.172 6.496 3.584 1.00 1.73 H new ATOM 0 HD3 LYS B 562 -18.083 7.359 2.361 1.00 1.73 H new ATOM 0 HE2 LYS B 562 -19.276 5.972 4.796 1.00 2.39 H new ATOM 0 HE3 LYS B 562 -19.015 7.698 4.639 1.00 2.39 H new ATOM 0 HZ1 LYS B 562 -21.218 7.428 4.055 1.00 3.03 H new ATOM 0 HZ2 LYS B 562 -20.456 7.475 2.538 1.00 3.03 H new ATOM 0 HZ3 LYS B 562 -20.943 5.988 3.199 1.00 3.03 H new ATOM 1992 N SER B 563 -15.570 2.642 1.616 1.00 0.27 N ATOM 1993 CA SER B 563 -15.368 1.338 2.227 1.00 0.24 C ATOM 1994 C SER B 563 -13.906 1.146 2.603 1.00 0.21 C ATOM 1995 O SER B 563 -13.557 0.278 3.400 1.00 0.20 O ATOM 1996 CB SER B 563 -15.834 0.246 1.270 1.00 0.27 C ATOM 1997 OG SER B 563 -17.143 0.520 0.799 1.00 0.91 O ATOM 0 H SER B 563 -15.652 2.622 0.600 1.00 0.27 H new ATOM 0 HA SER B 563 -15.958 1.276 3.142 1.00 0.24 H new ATOM 0 HB2 SER B 563 -15.146 0.175 0.428 1.00 0.27 H new ATOM 0 HB3 SER B 563 -15.818 -0.719 1.776 1.00 0.27 H new ATOM 0 HG SER B 563 -17.425 -0.190 0.185 1.00 0.91 H new ATOM 2003 N LEU B 564 -13.066 1.977 2.016 1.00 0.20 N ATOM 2004 CA LEU B 564 -11.641 1.940 2.242 1.00 0.19 C ATOM 2005 C LEU B 564 -11.363 2.630 3.560 1.00 0.21 C ATOM 2006 O LEU B 564 -10.695 2.094 4.441 1.00 0.21 O ATOM 2007 CB LEU B 564 -10.922 2.661 1.101 1.00 0.19 C ATOM 2008 CG LEU B 564 -9.450 2.304 0.894 1.00 0.17 C ATOM 2009 CD1 LEU B 564 -8.901 3.048 -0.287 1.00 0.21 C ATOM 2010 CD2 LEU B 564 -8.610 2.626 2.101 1.00 0.18 C ATOM 0 H LEU B 564 -13.361 2.703 1.363 1.00 0.20 H new ATOM 0 HA LEU B 564 -11.281 0.912 2.276 1.00 0.19 H new ATOM 0 HB2 LEU B 564 -11.458 2.454 0.174 1.00 0.19 H new ATOM 0 HB3 LEU B 564 -10.992 3.734 1.277 1.00 0.19 H new ATOM 0 HG LEU B 564 -9.406 1.228 0.723 1.00 0.17 H new ATOM 0 HD11 LEU B 564 -7.852 2.787 -0.426 1.00 0.21 H new ATOM 0 HD12 LEU B 564 -9.464 2.778 -1.181 1.00 0.21 H new ATOM 0 HD13 LEU B 564 -8.988 4.121 -0.114 1.00 0.21 H new ATOM 0 HD21 LEU B 564 -7.573 2.355 1.905 1.00 0.18 H new ATOM 0 HD22 LEU B 564 -8.672 3.693 2.313 1.00 0.18 H new ATOM 0 HD23 LEU B 564 -8.976 2.063 2.960 1.00 0.18 H new ATOM 2022 N VAL B 565 -11.929 3.814 3.700 1.00 0.23 N ATOM 2023 CA VAL B 565 -11.737 4.600 4.895 1.00 0.26 C ATOM 2024 C VAL B 565 -12.552 4.044 6.035 1.00 0.28 C ATOM 2025 O VAL B 565 -12.129 4.119 7.161 1.00 0.32 O ATOM 2026 CB VAL B 565 -12.075 6.077 4.664 1.00 0.29 C ATOM 2027 CG1 VAL B 565 -11.537 6.481 3.323 1.00 0.28 C ATOM 2028 CG2 VAL B 565 -13.566 6.343 4.741 1.00 0.30 C ATOM 0 H VAL B 565 -12.526 4.250 2.997 1.00 0.23 H new ATOM 0 HA VAL B 565 -10.681 4.541 5.158 1.00 0.26 H new ATOM 0 HB VAL B 565 -11.614 6.669 5.454 1.00 0.29 H new ATOM 0 HG11 VAL B 565 -11.768 7.530 3.140 1.00 0.28 H new ATOM 0 HG12 VAL B 565 -10.456 6.339 3.307 1.00 0.28 H new ATOM 0 HG13 VAL B 565 -11.996 5.868 2.547 1.00 0.28 H new ATOM 0 HG21 VAL B 565 -13.756 7.403 4.571 1.00 0.30 H new ATOM 0 HG22 VAL B 565 -14.080 5.756 3.980 1.00 0.30 H new ATOM 0 HG23 VAL B 565 -13.935 6.062 5.727 1.00 0.30 H new ATOM 2038 N SER B 566 -13.701 3.451 5.736 1.00 0.28 N ATOM 2039 CA SER B 566 -14.498 2.773 6.756 1.00 0.30 C ATOM 2040 C SER B 566 -13.699 1.636 7.380 1.00 0.30 C ATOM 2041 O SER B 566 -14.005 1.150 8.468 1.00 0.35 O ATOM 2042 CB SER B 566 -15.779 2.230 6.141 1.00 0.31 C ATOM 2043 OG SER B 566 -16.691 3.273 5.843 1.00 0.75 O ATOM 0 H SER B 566 -14.103 3.425 4.799 1.00 0.28 H new ATOM 0 HA SER B 566 -14.754 3.492 7.535 1.00 0.30 H new ATOM 0 HB2 SER B 566 -15.543 1.680 5.230 1.00 0.31 H new ATOM 0 HB3 SER B 566 -16.244 1.523 6.829 1.00 0.31 H new ATOM 0 HG SER B 566 -16.493 3.636 4.955 1.00 0.75 H new ATOM 2049 N TYR B 567 -12.664 1.239 6.675 1.00 0.26 N ATOM 2050 CA TYR B 567 -11.781 0.180 7.115 1.00 0.25 C ATOM 2051 C TYR B 567 -10.524 0.773 7.737 1.00 0.26 C ATOM 2052 O TYR B 567 -9.910 0.163 8.597 1.00 0.28 O ATOM 2053 CB TYR B 567 -11.448 -0.683 5.907 1.00 0.23 C ATOM 2054 CG TYR B 567 -10.562 -1.871 6.177 1.00 0.22 C ATOM 2055 CD1 TYR B 567 -11.096 -3.066 6.634 1.00 0.23 C ATOM 2056 CD2 TYR B 567 -9.188 -1.782 6.014 1.00 0.24 C ATOM 2057 CE1 TYR B 567 -10.282 -4.145 6.918 1.00 0.25 C ATOM 2058 CE2 TYR B 567 -8.367 -2.854 6.292 1.00 0.25 C ATOM 2059 CZ TYR B 567 -8.939 -4.083 6.603 1.00 0.24 C ATOM 2060 OH TYR B 567 -8.104 -5.110 7.025 1.00 0.29 O ATOM 0 H TYR B 567 -12.409 1.644 5.774 1.00 0.26 H new ATOM 0 HA TYR B 567 -12.261 -0.433 7.878 1.00 0.25 H new ATOM 0 HB2 TYR B 567 -12.381 -1.040 5.471 1.00 0.23 H new ATOM 0 HB3 TYR B 567 -10.965 -0.056 5.158 1.00 0.23 H new ATOM 0 HD1 TYR B 567 -12.164 -3.154 6.770 1.00 0.23 H new ATOM 0 HD2 TYR B 567 -8.754 -0.857 5.663 1.00 0.24 H new ATOM 0 HE1 TYR B 567 -10.692 -5.030 7.382 1.00 0.25 H new ATOM 0 HE2 TYR B 567 -7.293 -2.741 6.269 1.00 0.25 H new ATOM 0 HH TYR B 567 -7.590 -5.448 6.262 1.00 0.29 H new ATOM 2070 N LEU B 568 -10.147 1.961 7.279 1.00 0.26 N ATOM 2071 CA LEU B 568 -8.969 2.657 7.789 1.00 0.29 C ATOM 2072 C LEU B 568 -9.270 3.528 9.002 1.00 0.35 C ATOM 2073 O LEU B 568 -8.460 3.624 9.919 1.00 0.39 O ATOM 2074 CB LEU B 568 -8.401 3.533 6.698 1.00 0.28 C ATOM 2075 CG LEU B 568 -7.292 2.920 5.867 1.00 0.25 C ATOM 2076 CD1 LEU B 568 -7.585 1.469 5.520 1.00 0.23 C ATOM 2077 CD2 LEU B 568 -7.152 3.738 4.619 1.00 0.26 C ATOM 0 H LEU B 568 -10.645 2.468 6.547 1.00 0.26 H new ATOM 0 HA LEU B 568 -8.258 1.892 8.101 1.00 0.29 H new ATOM 0 HB2 LEU B 568 -9.213 3.820 6.030 1.00 0.28 H new ATOM 0 HB3 LEU B 568 -8.024 4.449 7.153 1.00 0.28 H new ATOM 0 HG LEU B 568 -6.364 2.924 6.439 1.00 0.25 H new ATOM 0 HD11 LEU B 568 -6.767 1.065 4.924 1.00 0.23 H new ATOM 0 HD12 LEU B 568 -7.686 0.889 6.437 1.00 0.23 H new ATOM 0 HD13 LEU B 568 -8.512 1.411 4.950 1.00 0.23 H new ATOM 0 HD21 LEU B 568 -6.359 3.321 3.998 1.00 0.26 H new ATOM 0 HD22 LEU B 568 -8.092 3.723 4.067 1.00 0.26 H new ATOM 0 HD23 LEU B 568 -6.903 4.766 4.884 1.00 0.26 H new ATOM 2089 N ASN B 569 -10.425 4.177 9.000 1.00 0.38 N ATOM 2090 CA ASN B 569 -10.789 5.113 10.067 1.00 0.46 C ATOM 2091 C ASN B 569 -11.214 4.371 11.329 1.00 0.50 C ATOM 2092 O ASN B 569 -11.671 4.983 12.297 1.00 0.74 O ATOM 2093 CB ASN B 569 -11.924 6.051 9.625 1.00 0.52 C ATOM 2094 CG ASN B 569 -13.310 5.445 9.787 1.00 0.54 C ATOM 2095 OD1 ASN B 569 -14.222 6.098 10.294 1.00 0.68 O ATOM 2096 ND2 ASN B 569 -13.496 4.226 9.311 1.00 0.44 N ATOM 0 H ASN B 569 -11.132 4.076 8.272 1.00 0.38 H new ATOM 0 HA ASN B 569 -9.902 5.708 10.284 1.00 0.46 H new ATOM 0 HB2 ASN B 569 -11.869 6.973 10.204 1.00 0.52 H new ATOM 0 HB3 ASN B 569 -11.774 6.322 8.580 1.00 0.52 H new ATOM 0 HD21 ASN B 569 -14.420 3.796 9.357 1.00 0.44 H new ATOM 0 HD22 ASN B 569 -12.716 3.715 8.898 1.00 0.44 H new ATOM 2103 N TYR B 570 -11.073 3.056 11.297 1.00 0.50 N ATOM 2104 CA TYR B 570 -11.439 2.211 12.418 1.00 0.59 C ATOM 2105 C TYR B 570 -10.712 2.672 13.687 1.00 0.90 C ATOM 2106 O TYR B 570 -9.500 2.983 13.608 1.00 1.34 O ATOM 2107 CB TYR B 570 -11.122 0.740 12.092 1.00 0.39 C ATOM 2108 CG TYR B 570 -9.645 0.415 12.089 1.00 0.42 C ATOM 2109 CD1 TYR B 570 -8.835 0.808 11.033 1.00 0.36 C ATOM 2110 CD2 TYR B 570 -9.064 -0.293 13.134 1.00 0.66 C ATOM 2111 CE1 TYR B 570 -7.492 0.511 11.014 1.00 0.53 C ATOM 2112 CE2 TYR B 570 -7.717 -0.598 13.123 1.00 0.87 C ATOM 2113 CZ TYR B 570 -6.929 -0.170 12.110 1.00 0.79 C ATOM 2114 OH TYR B 570 -5.590 -0.494 12.031 1.00 1.04 O ATOM 2115 OXT TYR B 570 -11.360 2.748 14.749 1.00 1.66 O ATOM 0 H TYR B 570 -10.702 2.547 10.495 1.00 0.50 H new ATOM 0 HA TYR B 570 -12.511 2.294 12.598 1.00 0.59 H new ATOM 0 HB2 TYR B 570 -11.623 0.101 12.820 1.00 0.39 H new ATOM 0 HB3 TYR B 570 -11.539 0.497 11.115 1.00 0.39 H new ATOM 0 HD1 TYR B 570 -9.267 1.358 10.210 1.00 0.36 H new ATOM 0 HD2 TYR B 570 -9.675 -0.609 13.967 1.00 0.66 H new ATOM 0 HE1 TYR B 570 -6.879 0.796 10.172 1.00 0.53 H new ATOM 0 HE2 TYR B 570 -7.291 -1.181 13.926 1.00 0.87 H new ATOM 0 HH TYR B 570 -5.318 -0.961 12.848 1.00 1.04 H new