USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 805 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 11 GLN : amide:sc= -0.26! X(o=-0.26!,f=-0.26) USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0.988 USER MOD Set 2.2: A 43 THR OG1 : rot -86:sc= 1.15 USER MOD Set 3.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 79 TYR OH : rot 60:sc= 1.09 USER MOD Set 3.3: A 100 ASN : amide:sc= 1.19 K(o=2.3,f=-7.5!) USER MOD Set 4.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 109 ASN : amide:sc= -0.213 K(o=-0.21,f=-4.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 1.01 (180deg=0.983) USER MOD Single : A 24 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 47:sc= 1.23 USER MOD Single : A 39 TYR OH : rot 24:sc= 1.26 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 142:sc= 1.24 (180deg=0.441) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -0.331 K(o=-0.33,f=-1.5) USER MOD Single : A 75 CYS SG : rot 11:sc= -0.433 USER MOD Single : A 76 THR OG1 : rot -70:sc= 1.38 USER MOD Single : A 78 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.1) USER MOD Single : A 80 HIS : no HD1:sc= -0.185 K(o=-0.18,f=-0.85) USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= -0.033 (180deg=-0.0555) USER MOD Single : A 85 THR OG1 : rot -57:sc= 1 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 178:sc= -0.216 (180deg=-0.229) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1.28 K(o=-1.3,f=-4.7!) USER MOD Single : A 95 SER OG : rot -168:sc= 1.25 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -174:sc= 1.18 (180deg=1.1) USER MOD Single : A 107 LYS NZ :NH3+ -161:sc= 0.695 (180deg=0.469) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N LYS A 6 18.264 -2.885 0.430 1.00 22.25 N ATOM 60 CA LYS A 6 18.047 -1.465 0.176 1.00 70.11 C ATOM 61 C LYS A 6 16.600 -1.266 -0.244 1.00 11.33 C ATOM 62 O LYS A 6 16.052 -2.081 -0.986 1.00 63.11 O ATOM 63 CB LYS A 6 19.066 -0.970 -0.870 1.00 31.55 C ATOM 64 CG LYS A 6 18.768 -1.443 -2.303 1.00 12.21 C ATOM 65 CD LYS A 6 19.968 -1.335 -3.251 1.00 32.31 C ATOM 66 CE LYS A 6 20.986 -2.450 -2.968 1.00 42.12 C ATOM 67 NZ LYS A 6 21.843 -2.726 -4.140 1.00 62.31 N ATOM 0 HA LYS A 6 18.211 -0.866 1.072 1.00 70.11 H new ATOM 0 HB2 LYS A 6 19.087 0.120 -0.855 1.00 31.55 H new ATOM 0 HB3 LYS A 6 20.061 -1.312 -0.584 1.00 31.55 H new ATOM 0 HG2 LYS A 6 18.434 -2.480 -2.271 1.00 12.21 H new ATOM 0 HG3 LYS A 6 17.944 -0.854 -2.706 1.00 12.21 H new ATOM 0 HD2 LYS A 6 19.628 -1.400 -4.285 1.00 32.31 H new ATOM 0 HD3 LYS A 6 20.445 -0.362 -3.133 1.00 32.31 H new ATOM 0 HE2 LYS A 6 21.610 -2.165 -2.121 1.00 42.12 H new ATOM 0 HE3 LYS A 6 20.458 -3.360 -2.683 1.00 42.12 H new ATOM 0 HZ1 LYS A 6 22.516 -3.484 -3.907 1.00 62.31 H new ATOM 0 HZ2 LYS A 6 21.250 -3.023 -4.941 1.00 62.31 H new ATOM 0 HZ3 LYS A 6 22.367 -1.865 -4.397 1.00 62.31 H new ATOM 81 N VAL A 7 15.957 -0.216 0.259 1.00 21.32 N ATOM 82 CA VAL A 7 14.599 0.100 -0.156 1.00 42.30 C ATOM 83 C VAL A 7 14.627 0.440 -1.645 1.00 23.12 C ATOM 84 O VAL A 7 15.345 1.346 -2.075 1.00 70.43 O ATOM 85 CB VAL A 7 13.975 1.179 0.742 1.00 4.43 C ATOM 86 CG1 VAL A 7 14.621 2.567 0.677 1.00 52.02 C ATOM 87 CG2 VAL A 7 12.487 1.302 0.407 1.00 45.11 C ATOM 0 H VAL A 7 16.352 0.424 0.948 1.00 21.32 H new ATOM 0 HA VAL A 7 13.938 -0.757 -0.029 1.00 42.30 H new ATOM 0 HB VAL A 7 14.149 0.837 1.762 1.00 4.43 H new ATOM 0 HG11 VAL A 7 14.097 3.244 1.352 1.00 52.02 H new ATOM 0 HG12 VAL A 7 15.667 2.496 0.974 1.00 52.02 H new ATOM 0 HG13 VAL A 7 14.559 2.950 -0.342 1.00 52.02 H new ATOM 0 HG21 VAL A 7 12.034 2.066 1.039 1.00 45.11 H new ATOM 0 HG22 VAL A 7 12.372 1.582 -0.640 1.00 45.11 H new ATOM 0 HG23 VAL A 7 11.994 0.346 0.583 1.00 45.11 H new ATOM 97 N GLU A 8 13.851 -0.307 -2.423 1.00 62.24 N ATOM 98 CA GLU A 8 13.891 -0.287 -3.871 1.00 21.32 C ATOM 99 C GLU A 8 12.543 0.183 -4.398 1.00 12.11 C ATOM 100 O GLU A 8 11.595 -0.585 -4.551 1.00 4.34 O ATOM 101 CB GLU A 8 14.328 -1.648 -4.414 1.00 34.51 C ATOM 102 CG GLU A 8 13.712 -2.879 -3.724 1.00 44.03 C ATOM 103 CD GLU A 8 13.988 -4.166 -4.497 1.00 50.12 C ATOM 104 OE1 GLU A 8 14.746 -4.163 -5.493 1.00 41.14 O ATOM 105 OE2 GLU A 8 13.365 -5.194 -4.155 1.00 72.53 O ATOM 0 H GLU A 8 13.161 -0.958 -2.049 1.00 62.24 H new ATOM 0 HA GLU A 8 14.639 0.422 -4.226 1.00 21.32 H new ATOM 0 HB2 GLU A 8 14.082 -1.690 -5.475 1.00 34.51 H new ATOM 0 HB3 GLU A 8 15.413 -1.717 -4.335 1.00 34.51 H new ATOM 0 HG2 GLU A 8 14.115 -2.969 -2.715 1.00 44.03 H new ATOM 0 HG3 GLU A 8 12.636 -2.739 -3.626 1.00 44.03 H new ATOM 112 N ILE A 9 12.449 1.490 -4.633 1.00 24.43 N ATOM 113 CA ILE A 9 11.265 2.173 -5.132 1.00 43.21 C ATOM 114 C ILE A 9 10.667 1.441 -6.354 1.00 43.41 C ATOM 115 O ILE A 9 9.512 1.034 -6.265 1.00 32.23 O ATOM 116 CB ILE A 9 11.579 3.672 -5.364 1.00 33.45 C ATOM 117 CG1 ILE A 9 11.916 4.434 -4.061 1.00 12.12 C ATOM 118 CG2 ILE A 9 10.382 4.382 -6.009 1.00 65.11 C ATOM 119 CD1 ILE A 9 13.304 4.179 -3.475 1.00 43.12 C ATOM 0 H ILE A 9 13.230 2.126 -4.473 1.00 24.43 H new ATOM 0 HA ILE A 9 10.475 2.142 -4.382 1.00 43.21 H new ATOM 0 HB ILE A 9 12.452 3.686 -6.016 1.00 33.45 H new ATOM 0 HG12 ILE A 9 11.815 5.502 -4.252 1.00 12.12 H new ATOM 0 HG13 ILE A 9 11.172 4.173 -3.308 1.00 12.12 H new ATOM 0 HG21 ILE A 9 10.623 5.434 -6.164 1.00 65.11 H new ATOM 0 HG22 ILE A 9 10.157 3.917 -6.969 1.00 65.11 H new ATOM 0 HG23 ILE A 9 9.515 4.301 -5.354 1.00 65.11 H new ATOM 0 HD11 ILE A 9 13.428 4.765 -2.565 1.00 43.12 H new ATOM 0 HD12 ILE A 9 13.411 3.120 -3.242 1.00 43.12 H new ATOM 0 HD13 ILE A 9 14.064 4.470 -4.200 1.00 43.12 H new ATOM 131 N PRO A 10 11.402 1.211 -7.469 1.00 30.02 N ATOM 132 CA PRO A 10 10.839 0.593 -8.668 1.00 25.34 C ATOM 133 C PRO A 10 10.444 -0.881 -8.506 1.00 10.43 C ATOM 134 O PRO A 10 10.066 -1.510 -9.493 1.00 64.34 O ATOM 135 CB PRO A 10 11.873 0.795 -9.781 1.00 50.24 C ATOM 136 CG PRO A 10 13.183 0.892 -9.022 1.00 25.24 C ATOM 137 CD PRO A 10 12.772 1.617 -7.742 1.00 43.51 C ATOM 0 HA PRO A 10 9.889 1.073 -8.904 1.00 25.34 H new ATOM 0 HB2 PRO A 10 11.876 -0.038 -10.484 1.00 50.24 H new ATOM 0 HB3 PRO A 10 11.673 1.698 -10.357 1.00 50.24 H new ATOM 0 HG2 PRO A 10 13.605 -0.091 -8.814 1.00 25.24 H new ATOM 0 HG3 PRO A 10 13.935 1.450 -9.580 1.00 25.24 H new ATOM 0 HD2 PRO A 10 13.430 1.350 -6.915 1.00 43.51 H new ATOM 0 HD3 PRO A 10 12.840 2.698 -7.867 1.00 43.51 H new ATOM 145 N GLN A 11 10.506 -1.474 -7.314 1.00 42.33 N ATOM 146 CA GLN A 11 9.869 -2.758 -7.066 1.00 12.42 C ATOM 147 C GLN A 11 8.347 -2.616 -6.890 1.00 74.04 C ATOM 148 O GLN A 11 7.623 -3.598 -7.058 1.00 1.34 O ATOM 149 CB GLN A 11 10.546 -3.389 -5.843 1.00 54.12 C ATOM 150 CG GLN A 11 10.427 -4.915 -5.786 1.00 25.12 C ATOM 151 CD GLN A 11 11.220 -5.598 -6.906 1.00 3.43 C ATOM 152 OE1 GLN A 11 10.691 -5.891 -7.976 1.00 13.13 O ATOM 153 NE2 GLN A 11 12.495 -5.875 -6.710 1.00 3.31 N ATOM 0 H GLN A 11 10.992 -1.082 -6.508 1.00 42.33 H new ATOM 0 HA GLN A 11 9.997 -3.413 -7.928 1.00 12.42 H new ATOM 0 HB2 GLN A 11 11.601 -3.116 -5.843 1.00 54.12 H new ATOM 0 HB3 GLN A 11 10.108 -2.966 -4.939 1.00 54.12 H new ATOM 0 HG2 GLN A 11 10.786 -5.270 -4.820 1.00 25.12 H new ATOM 0 HG3 GLN A 11 9.377 -5.199 -5.860 1.00 25.12 H new ATOM 0 HE21 GLN A 11 12.939 -5.634 -5.824 1.00 3.31 H new ATOM 0 HE22 GLN A 11 13.037 -6.330 -7.445 1.00 3.31 H new ATOM 162 N LEU A 12 7.829 -1.416 -6.600 1.00 52.42 N ATOM 163 CA LEU A 12 6.516 -1.249 -5.977 1.00 73.44 C ATOM 164 C LEU A 12 5.322 -1.781 -6.787 1.00 10.45 C ATOM 165 O LEU A 12 4.381 -2.272 -6.178 1.00 64.22 O ATOM 166 CB LEU A 12 6.298 0.239 -5.643 1.00 72.40 C ATOM 167 CG LEU A 12 5.041 0.523 -4.791 1.00 23.35 C ATOM 168 CD1 LEU A 12 5.236 0.117 -3.326 1.00 31.15 C ATOM 169 CD2 LEU A 12 4.695 2.008 -4.861 1.00 65.32 C ATOM 0 H LEU A 12 8.310 -0.537 -6.791 1.00 52.42 H new ATOM 0 HA LEU A 12 6.541 -1.866 -5.079 1.00 73.44 H new ATOM 0 HB2 LEU A 12 7.174 0.612 -5.112 1.00 72.40 H new ATOM 0 HB3 LEU A 12 6.226 0.801 -6.574 1.00 72.40 H new ATOM 0 HG LEU A 12 4.226 -0.075 -5.200 1.00 23.35 H new ATOM 0 HD11 LEU A 12 4.328 0.334 -2.764 1.00 31.15 H new ATOM 0 HD12 LEU A 12 5.451 -0.950 -3.270 1.00 31.15 H new ATOM 0 HD13 LEU A 12 6.069 0.678 -2.901 1.00 31.15 H new ATOM 0 HD21 LEU A 12 3.808 2.204 -4.259 1.00 65.32 H new ATOM 0 HD22 LEU A 12 5.530 2.595 -4.478 1.00 65.32 H new ATOM 0 HD23 LEU A 12 4.500 2.288 -5.896 1.00 65.32 H new ATOM 181 N VAL A 13 5.330 -1.679 -8.115 1.00 33.04 N ATOM 182 CA VAL A 13 4.161 -1.757 -9.013 1.00 54.11 C ATOM 183 C VAL A 13 3.412 -3.122 -9.046 1.00 63.00 C ATOM 184 O VAL A 13 2.425 -3.314 -9.755 1.00 54.52 O ATOM 185 CB VAL A 13 4.656 -1.235 -10.381 1.00 64.34 C ATOM 186 CG1 VAL A 13 3.727 -1.454 -11.567 1.00 65.00 C ATOM 187 CG2 VAL A 13 4.989 0.268 -10.282 1.00 33.34 C ATOM 0 H VAL A 13 6.198 -1.531 -8.630 1.00 33.04 H new ATOM 0 HA VAL A 13 3.352 -1.134 -8.631 1.00 54.11 H new ATOM 0 HB VAL A 13 5.537 -1.842 -10.591 1.00 64.34 H new ATOM 0 HG11 VAL A 13 4.185 -1.045 -12.468 1.00 65.00 H new ATOM 0 HG12 VAL A 13 3.553 -2.522 -11.701 1.00 65.00 H new ATOM 0 HG13 VAL A 13 2.777 -0.952 -11.383 1.00 65.00 H new ATOM 0 HG21 VAL A 13 5.337 0.628 -11.250 1.00 33.34 H new ATOM 0 HG22 VAL A 13 4.096 0.820 -9.989 1.00 33.34 H new ATOM 0 HG23 VAL A 13 5.770 0.419 -9.537 1.00 33.34 H new ATOM 197 N GLY A 14 3.842 -4.099 -8.257 1.00 41.53 N ATOM 198 CA GLY A 14 3.063 -5.303 -7.994 1.00 52.44 C ATOM 199 C GLY A 14 1.735 -5.020 -7.265 1.00 70.04 C ATOM 200 O GLY A 14 1.445 -3.917 -6.792 1.00 32.12 O ATOM 0 H GLY A 14 4.743 -4.079 -7.780 1.00 41.53 H new ATOM 0 HA2 GLY A 14 2.852 -5.805 -8.938 1.00 52.44 H new ATOM 0 HA3 GLY A 14 3.660 -5.990 -7.394 1.00 52.44 H new ATOM 204 N LYS A 15 0.918 -6.068 -7.130 1.00 24.11 N ATOM 205 CA LYS A 15 -0.305 -6.111 -6.318 1.00 62.02 C ATOM 206 C LYS A 15 0.063 -6.511 -4.891 1.00 2.03 C ATOM 207 O LYS A 15 0.794 -7.489 -4.731 1.00 62.31 O ATOM 208 CB LYS A 15 -1.213 -7.203 -6.882 1.00 11.23 C ATOM 209 CG LYS A 15 -1.704 -6.997 -8.318 1.00 33.23 C ATOM 210 CD LYS A 15 -2.147 -8.338 -8.924 1.00 4.54 C ATOM 211 CE LYS A 15 -0.939 -9.221 -9.286 1.00 74.44 C ATOM 212 NZ LYS A 15 -1.323 -10.646 -9.393 1.00 2.25 N ATOM 0 H LYS A 15 1.098 -6.952 -7.606 1.00 24.11 H new ATOM 0 HA LYS A 15 -0.797 -5.139 -6.331 1.00 62.02 H new ATOM 0 HB2 LYS A 15 -0.678 -8.152 -6.835 1.00 11.23 H new ATOM 0 HB3 LYS A 15 -2.083 -7.295 -6.232 1.00 11.23 H new ATOM 0 HG2 LYS A 15 -2.536 -6.292 -8.328 1.00 33.23 H new ATOM 0 HG3 LYS A 15 -0.909 -6.561 -8.923 1.00 33.23 H new ATOM 0 HD2 LYS A 15 -2.785 -8.866 -8.215 1.00 4.54 H new ATOM 0 HD3 LYS A 15 -2.745 -8.155 -9.816 1.00 4.54 H new ATOM 0 HE2 LYS A 15 -0.512 -8.886 -10.231 1.00 74.44 H new ATOM 0 HE3 LYS A 15 -0.164 -9.108 -8.528 1.00 74.44 H new ATOM 0 HZ1 LYS A 15 -0.517 -11.197 -9.752 1.00 2.25 H new ATOM 0 HZ2 LYS A 15 -1.596 -11.003 -8.455 1.00 2.25 H new ATOM 0 HZ3 LYS A 15 -2.126 -10.741 -10.047 1.00 2.25 H new ATOM 226 N TRP A 16 -0.381 -5.821 -3.847 1.00 12.03 N ATOM 227 CA TRP A 16 0.098 -6.074 -2.483 1.00 25.45 C ATOM 228 C TRP A 16 -1.073 -6.291 -1.533 1.00 32.23 C ATOM 229 O TRP A 16 -1.905 -5.399 -1.356 1.00 72.31 O ATOM 230 CB TRP A 16 0.946 -4.903 -1.999 1.00 13.02 C ATOM 231 CG TRP A 16 2.272 -4.681 -2.618 1.00 44.23 C ATOM 232 CD1 TRP A 16 2.460 -4.012 -3.769 1.00 1.14 C ATOM 233 CD2 TRP A 16 3.598 -5.054 -2.136 1.00 11.12 C ATOM 234 NE1 TRP A 16 3.805 -3.846 -3.983 1.00 32.23 N ATOM 235 CE2 TRP A 16 4.558 -4.488 -3.028 1.00 5.23 C ATOM 236 CE3 TRP A 16 4.092 -5.830 -1.064 1.00 33.24 C ATOM 237 CZ2 TRP A 16 5.936 -4.668 -2.869 1.00 23.35 C ATOM 238 CZ3 TRP A 16 5.475 -5.997 -0.889 1.00 64.50 C ATOM 239 CH2 TRP A 16 6.397 -5.424 -1.783 1.00 30.21 C ATOM 0 H TRP A 16 -1.076 -5.077 -3.914 1.00 12.03 H new ATOM 0 HA TRP A 16 0.708 -6.977 -2.496 1.00 25.45 H new ATOM 0 HB2 TRP A 16 0.361 -3.993 -2.135 1.00 13.02 H new ATOM 0 HB3 TRP A 16 1.098 -5.026 -0.927 1.00 13.02 H new ATOM 0 HD1 TRP A 16 1.675 -3.660 -4.423 1.00 1.14 H new ATOM 0 HE1 TRP A 16 4.199 -3.311 -4.757 1.00 32.23 H new ATOM 0 HE3 TRP A 16 3.403 -6.297 -0.376 1.00 33.24 H new ATOM 0 HZ2 TRP A 16 6.632 -4.232 -3.571 1.00 23.35 H new ATOM 0 HZ3 TRP A 16 5.837 -6.576 -0.053 1.00 64.50 H new ATOM 0 HH2 TRP A 16 7.457 -5.566 -1.633 1.00 30.21 H new ATOM 250 N ILE A 17 -1.140 -7.460 -0.898 1.00 13.33 N ATOM 251 CA ILE A 17 -2.248 -7.859 -0.053 1.00 54.11 C ATOM 252 C ILE A 17 -1.854 -7.563 1.394 1.00 50.01 C ATOM 253 O ILE A 17 -0.742 -7.874 1.836 1.00 73.43 O ATOM 254 CB ILE A 17 -2.600 -9.333 -0.351 1.00 10.43 C ATOM 255 CG1 ILE A 17 -4.080 -9.606 -0.008 1.00 10.35 C ATOM 256 CG2 ILE A 17 -1.735 -10.342 0.422 1.00 34.51 C ATOM 257 CD1 ILE A 17 -4.616 -10.747 -0.869 1.00 24.53 C ATOM 0 H ILE A 17 -0.407 -8.166 -0.962 1.00 13.33 H new ATOM 0 HA ILE A 17 -3.163 -7.300 -0.250 1.00 54.11 H new ATOM 0 HB ILE A 17 -2.405 -9.473 -1.414 1.00 10.43 H new ATOM 0 HG12 ILE A 17 -4.176 -9.861 1.048 1.00 10.35 H new ATOM 0 HG13 ILE A 17 -4.672 -8.706 -0.174 1.00 10.35 H new ATOM 0 HG21 ILE A 17 -2.039 -11.356 0.162 1.00 34.51 H new ATOM 0 HG22 ILE A 17 -0.687 -10.199 0.159 1.00 34.51 H new ATOM 0 HG23 ILE A 17 -1.865 -10.187 1.493 1.00 34.51 H new ATOM 0 HD11 ILE A 17 -5.661 -10.932 -0.619 1.00 24.53 H new ATOM 0 HD12 ILE A 17 -4.537 -10.476 -1.922 1.00 24.53 H new ATOM 0 HD13 ILE A 17 -4.033 -11.649 -0.682 1.00 24.53 H new ATOM 269 N VAL A 18 -2.745 -6.912 2.140 1.00 21.41 N ATOM 270 CA VAL A 18 -2.431 -6.352 3.459 1.00 11.42 C ATOM 271 C VAL A 18 -2.449 -7.437 4.556 1.00 62.43 C ATOM 272 O VAL A 18 -2.328 -7.119 5.732 1.00 61.13 O ATOM 273 CB VAL A 18 -3.450 -5.226 3.792 1.00 34.14 C ATOM 274 CG1 VAL A 18 -2.910 -4.313 4.898 1.00 5.04 C ATOM 275 CG2 VAL A 18 -3.788 -4.278 2.635 1.00 33.31 C ATOM 0 H VAL A 18 -3.710 -6.756 1.848 1.00 21.41 H new ATOM 0 HA VAL A 18 -1.423 -5.939 3.429 1.00 11.42 H new ATOM 0 HB VAL A 18 -4.344 -5.782 4.073 1.00 34.14 H new ATOM 0 HG11 VAL A 18 -3.640 -3.533 5.114 1.00 5.04 H new ATOM 0 HG12 VAL A 18 -2.729 -4.900 5.798 1.00 5.04 H new ATOM 0 HG13 VAL A 18 -1.977 -3.856 4.569 1.00 5.04 H new ATOM 0 HG21 VAL A 18 -4.506 -3.532 2.974 1.00 33.31 H new ATOM 0 HG22 VAL A 18 -2.880 -3.780 2.296 1.00 33.31 H new ATOM 0 HG23 VAL A 18 -4.218 -4.848 1.812 1.00 33.31 H new ATOM 285 N LYS A 19 -2.693 -8.708 4.226 1.00 52.23 N ATOM 286 CA LYS A 19 -3.215 -9.705 5.175 1.00 42.04 C ATOM 287 C LYS A 19 -2.200 -10.240 6.206 1.00 41.44 C ATOM 288 O LYS A 19 -2.362 -11.337 6.717 1.00 32.45 O ATOM 289 CB LYS A 19 -4.022 -10.814 4.451 1.00 12.21 C ATOM 290 CG LYS A 19 -3.235 -11.970 3.799 1.00 2.15 C ATOM 291 CD LYS A 19 -4.210 -12.945 3.117 1.00 62.30 C ATOM 292 CE LYS A 19 -3.465 -14.164 2.565 1.00 42.00 C ATOM 293 NZ LYS A 19 -4.332 -15.353 2.458 1.00 3.12 N ATOM 0 H LYS A 19 -2.534 -9.080 3.290 1.00 52.23 H new ATOM 0 HA LYS A 19 -3.916 -9.158 5.806 1.00 42.04 H new ATOM 0 HB2 LYS A 19 -4.717 -11.247 5.171 1.00 12.21 H new ATOM 0 HB3 LYS A 19 -4.622 -10.339 3.675 1.00 12.21 H new ATOM 0 HG2 LYS A 19 -2.530 -11.575 3.067 1.00 2.15 H new ATOM 0 HG3 LYS A 19 -2.650 -12.495 4.554 1.00 2.15 H new ATOM 0 HD2 LYS A 19 -4.967 -13.269 3.832 1.00 62.30 H new ATOM 0 HD3 LYS A 19 -4.733 -12.436 2.308 1.00 62.30 H new ATOM 0 HE2 LYS A 19 -3.059 -13.924 1.582 1.00 42.00 H new ATOM 0 HE3 LYS A 19 -2.618 -14.392 3.212 1.00 42.00 H new ATOM 0 HZ1 LYS A 19 -3.782 -16.151 2.080 1.00 3.12 H new ATOM 0 HZ2 LYS A 19 -4.699 -15.601 3.399 1.00 3.12 H new ATOM 0 HZ3 LYS A 19 -5.127 -15.147 1.820 1.00 3.12 H new ATOM 307 N GLU A 20 -1.189 -9.462 6.565 1.00 72.10 N ATOM 308 CA GLU A 20 -0.198 -9.790 7.579 1.00 53.33 C ATOM 309 C GLU A 20 -0.124 -8.584 8.522 1.00 11.44 C ATOM 310 O GLU A 20 0.523 -7.600 8.148 1.00 2.02 O ATOM 311 CB GLU A 20 1.150 -10.013 6.887 1.00 51.33 C ATOM 312 CG GLU A 20 1.438 -11.425 6.427 1.00 4.31 C ATOM 313 CD GLU A 20 2.298 -12.220 7.398 1.00 72.23 C ATOM 314 OE1 GLU A 20 3.548 -12.055 7.390 1.00 52.30 O ATOM 315 OE2 GLU A 20 1.734 -13.088 8.091 1.00 11.33 O ATOM 0 H GLU A 20 -1.031 -8.548 6.140 1.00 72.10 H new ATOM 0 HA GLU A 20 -0.456 -10.692 8.134 1.00 53.33 H new ATOM 0 HB2 GLU A 20 1.204 -9.353 6.021 1.00 51.33 H new ATOM 0 HB3 GLU A 20 1.941 -9.707 7.571 1.00 51.33 H new ATOM 0 HG2 GLU A 20 0.494 -11.949 6.278 1.00 4.31 H new ATOM 0 HG3 GLU A 20 1.938 -11.388 5.459 1.00 4.31 H new ATOM 322 N PRO A 21 -0.782 -8.610 9.698 1.00 22.32 N ATOM 323 CA PRO A 21 -1.715 -9.643 10.150 1.00 41.43 C ATOM 324 C PRO A 21 -3.036 -9.581 9.371 1.00 41.23 C ATOM 325 O PRO A 21 -3.355 -8.568 8.740 1.00 52.10 O ATOM 326 CB PRO A 21 -1.929 -9.360 11.636 1.00 31.31 C ATOM 327 CG PRO A 21 -1.741 -7.847 11.744 1.00 52.11 C ATOM 328 CD PRO A 21 -0.689 -7.542 10.680 1.00 32.44 C ATOM 0 HA PRO A 21 -1.324 -10.646 9.982 1.00 41.43 H new ATOM 0 HB2 PRO A 21 -2.923 -9.665 11.963 1.00 31.31 H new ATOM 0 HB3 PRO A 21 -1.211 -9.898 12.254 1.00 31.31 H new ATOM 0 HG2 PRO A 21 -2.671 -7.312 11.553 1.00 52.11 H new ATOM 0 HG3 PRO A 21 -1.403 -7.554 12.738 1.00 52.11 H new ATOM 0 HD2 PRO A 21 -0.873 -6.572 10.218 1.00 32.44 H new ATOM 0 HD3 PRO A 21 0.308 -7.503 11.119 1.00 32.44 H new ATOM 336 N VAL A 22 -3.805 -10.669 9.416 1.00 61.53 N ATOM 337 CA VAL A 22 -5.069 -10.829 8.694 1.00 33.51 C ATOM 338 C VAL A 22 -6.110 -9.878 9.308 1.00 63.34 C ATOM 339 O VAL A 22 -5.997 -9.467 10.471 1.00 41.13 O ATOM 340 CB VAL A 22 -5.507 -12.319 8.723 1.00 21.21 C ATOM 341 CG1 VAL A 22 -6.706 -12.611 7.810 1.00 62.43 C ATOM 342 CG2 VAL A 22 -4.390 -13.264 8.254 1.00 21.52 C ATOM 0 H VAL A 22 -3.559 -11.488 9.972 1.00 61.53 H new ATOM 0 HA VAL A 22 -4.959 -10.562 7.643 1.00 33.51 H new ATOM 0 HB VAL A 22 -5.766 -12.494 9.767 1.00 21.21 H new ATOM 0 HG11 VAL A 22 -6.963 -13.668 7.875 1.00 62.43 H new ATOM 0 HG12 VAL A 22 -7.559 -12.010 8.126 1.00 62.43 H new ATOM 0 HG13 VAL A 22 -6.448 -12.363 6.780 1.00 62.43 H new ATOM 0 HG21 VAL A 22 -4.745 -14.294 8.292 1.00 21.52 H new ATOM 0 HG22 VAL A 22 -4.108 -13.015 7.231 1.00 21.52 H new ATOM 0 HG23 VAL A 22 -3.523 -13.154 8.906 1.00 21.52 H new ATOM 352 N LEU A 23 -7.122 -9.500 8.528 1.00 14.25 N ATOM 353 CA LEU A 23 -8.243 -8.705 9.001 1.00 72.31 C ATOM 354 C LEU A 23 -9.319 -9.618 9.578 1.00 22.55 C ATOM 355 O LEU A 23 -9.373 -10.826 9.335 1.00 51.33 O ATOM 356 CB LEU A 23 -8.842 -7.843 7.874 1.00 21.34 C ATOM 357 CG LEU A 23 -7.871 -6.835 7.236 1.00 45.11 C ATOM 358 CD1 LEU A 23 -8.624 -6.033 6.169 1.00 21.13 C ATOM 359 CD2 LEU A 23 -7.272 -5.878 8.272 1.00 62.20 C ATOM 0 H LEU A 23 -7.183 -9.743 7.539 1.00 14.25 H new ATOM 0 HA LEU A 23 -7.873 -8.035 9.777 1.00 72.31 H new ATOM 0 HB2 LEU A 23 -9.219 -8.504 7.094 1.00 21.34 H new ATOM 0 HB3 LEU A 23 -9.698 -7.298 8.271 1.00 21.34 H new ATOM 0 HG LEU A 23 -7.046 -7.391 6.791 1.00 45.11 H new ATOM 0 HD11 LEU A 23 -7.946 -5.314 5.709 1.00 21.13 H new ATOM 0 HD12 LEU A 23 -9.006 -6.711 5.406 1.00 21.13 H new ATOM 0 HD13 LEU A 23 -9.456 -5.502 6.632 1.00 21.13 H new ATOM 0 HD21 LEU A 23 -6.593 -5.184 7.777 1.00 62.20 H new ATOM 0 HD22 LEU A 23 -8.072 -5.319 8.756 1.00 62.20 H new ATOM 0 HD23 LEU A 23 -6.724 -6.449 9.021 1.00 62.20 H new ATOM 371 N GLN A 24 -10.216 -8.994 10.323 1.00 61.52 N ATOM 372 CA GLN A 24 -11.314 -9.639 11.018 1.00 1.01 C ATOM 373 C GLN A 24 -12.365 -10.215 10.057 1.00 13.04 C ATOM 374 O GLN A 24 -12.361 -9.947 8.855 1.00 33.34 O ATOM 375 CB GLN A 24 -11.950 -8.610 11.968 1.00 12.03 C ATOM 376 CG GLN A 24 -11.060 -8.264 13.174 1.00 74.43 C ATOM 377 CD GLN A 24 -10.607 -9.492 13.963 1.00 11.05 C ATOM 378 OE1 GLN A 24 -9.427 -9.629 14.252 1.00 1.22 O ATOM 379 NE2 GLN A 24 -11.501 -10.382 14.359 1.00 64.41 N ATOM 0 H GLN A 24 -10.197 -7.984 10.465 1.00 61.52 H new ATOM 0 HA GLN A 24 -10.922 -10.488 11.578 1.00 1.01 H new ATOM 0 HB2 GLN A 24 -12.167 -7.698 11.412 1.00 12.03 H new ATOM 0 HB3 GLN A 24 -12.903 -8.998 12.328 1.00 12.03 H new ATOM 0 HG2 GLN A 24 -10.182 -7.721 12.825 1.00 74.43 H new ATOM 0 HG3 GLN A 24 -11.605 -7.594 13.839 1.00 74.43 H new ATOM 0 HE21 GLN A 24 -12.484 -10.261 14.114 1.00 64.41 H new ATOM 0 HE22 GLN A 24 -11.208 -11.189 14.909 1.00 64.41 H new ATOM 388 N ASP A 25 -13.293 -10.979 10.636 1.00 45.00 N ATOM 389 CA ASP A 25 -14.463 -11.649 10.080 1.00 13.31 C ATOM 390 C ASP A 25 -14.040 -12.605 8.974 1.00 11.14 C ATOM 391 O ASP A 25 -13.772 -13.775 9.251 1.00 12.44 O ATOM 392 CB ASP A 25 -15.559 -10.627 9.709 1.00 41.44 C ATOM 393 CG ASP A 25 -16.434 -10.223 10.901 1.00 4.34 C ATOM 394 OD1 ASP A 25 -15.994 -10.342 12.073 1.00 51.03 O ATOM 395 OD2 ASP A 25 -17.570 -9.757 10.666 1.00 54.14 O ATOM 0 H ASP A 25 -13.229 -11.164 11.637 1.00 45.00 H new ATOM 0 HA ASP A 25 -14.937 -12.281 10.831 1.00 13.31 H new ATOM 0 HB2 ASP A 25 -15.090 -9.736 9.292 1.00 41.44 H new ATOM 0 HB3 ASP A 25 -16.192 -11.049 8.928 1.00 41.44 H new ATOM 400 N ASP A 26 -13.901 -12.083 7.763 1.00 32.11 N ATOM 401 CA ASP A 26 -13.166 -12.642 6.621 1.00 61.30 C ATOM 402 C ASP A 26 -12.987 -11.529 5.584 1.00 11.23 C ATOM 403 O ASP A 26 -13.345 -11.667 4.414 1.00 13.42 O ATOM 404 CB ASP A 26 -13.814 -13.899 6.008 1.00 12.22 C ATOM 405 CG ASP A 26 -12.792 -14.664 5.156 1.00 31.14 C ATOM 406 OD1 ASP A 26 -12.631 -14.406 3.942 1.00 31.34 O ATOM 407 OD2 ASP A 26 -12.116 -15.554 5.715 1.00 32.41 O ATOM 0 H ASP A 26 -14.330 -11.188 7.528 1.00 32.11 H new ATOM 0 HA ASP A 26 -12.198 -12.993 6.979 1.00 61.30 H new ATOM 0 HB2 ASP A 26 -14.193 -14.544 6.801 1.00 12.22 H new ATOM 0 HB3 ASP A 26 -14.668 -13.613 5.394 1.00 12.22 H new ATOM 412 N PHE A 27 -12.531 -10.354 6.027 1.00 63.54 N ATOM 413 CA PHE A 27 -12.148 -9.296 5.123 1.00 72.10 C ATOM 414 C PHE A 27 -10.728 -9.531 4.662 1.00 23.21 C ATOM 415 O PHE A 27 -9.881 -10.129 5.335 1.00 62.54 O ATOM 416 CB PHE A 27 -12.282 -7.908 5.759 1.00 73.44 C ATOM 417 CG PHE A 27 -13.699 -7.406 5.676 1.00 63.23 C ATOM 418 CD1 PHE A 27 -14.165 -6.905 4.450 1.00 52.11 C ATOM 419 CD2 PHE A 27 -14.561 -7.487 6.781 1.00 62.43 C ATOM 420 CE1 PHE A 27 -15.504 -6.514 4.311 1.00 61.31 C ATOM 421 CE2 PHE A 27 -15.899 -7.081 6.644 1.00 25.22 C ATOM 422 CZ PHE A 27 -16.373 -6.628 5.399 1.00 52.20 C ATOM 0 H PHE A 27 -12.422 -10.123 7.014 1.00 63.54 H new ATOM 0 HA PHE A 27 -12.827 -9.316 4.271 1.00 72.10 H new ATOM 0 HB2 PHE A 27 -11.969 -7.951 6.802 1.00 73.44 H new ATOM 0 HB3 PHE A 27 -11.615 -7.208 5.255 1.00 73.44 H new ATOM 0 HD1 PHE A 27 -13.490 -6.821 3.611 1.00 52.11 H new ATOM 0 HD2 PHE A 27 -14.199 -7.858 7.728 1.00 62.43 H new ATOM 0 HE1 PHE A 27 -15.862 -6.127 3.368 1.00 61.31 H new ATOM 0 HE2 PHE A 27 -16.564 -7.117 7.494 1.00 25.22 H new ATOM 0 HZ PHE A 27 -17.415 -6.367 5.284 1.00 52.20 H new ATOM 432 N VAL A 28 -10.479 -8.947 3.514 1.00 53.23 N ATOM 433 CA VAL A 28 -9.194 -8.774 2.898 1.00 42.32 C ATOM 434 C VAL A 28 -9.242 -7.419 2.202 1.00 53.31 C ATOM 435 O VAL A 28 -10.307 -6.920 1.815 1.00 43.13 O ATOM 436 CB VAL A 28 -8.894 -9.989 1.992 1.00 14.22 C ATOM 437 CG1 VAL A 28 -10.011 -10.259 0.980 1.00 11.35 C ATOM 438 CG2 VAL A 28 -7.558 -9.902 1.248 1.00 22.52 C ATOM 0 H VAL A 28 -11.229 -8.552 2.947 1.00 53.23 H new ATOM 0 HA VAL A 28 -8.359 -8.754 3.598 1.00 42.32 H new ATOM 0 HB VAL A 28 -8.830 -10.822 2.692 1.00 14.22 H new ATOM 0 HG11 VAL A 28 -9.748 -11.123 0.370 1.00 11.35 H new ATOM 0 HG12 VAL A 28 -10.942 -10.459 1.510 1.00 11.35 H new ATOM 0 HG13 VAL A 28 -10.139 -9.387 0.338 1.00 11.35 H new ATOM 0 HG21 VAL A 28 -7.424 -10.793 0.635 1.00 22.52 H new ATOM 0 HG22 VAL A 28 -7.554 -9.018 0.610 1.00 22.52 H new ATOM 0 HG23 VAL A 28 -6.744 -9.832 1.969 1.00 22.52 H new ATOM 448 N THR A 29 -8.062 -6.838 2.067 1.00 73.41 N ATOM 449 CA THR A 29 -7.753 -5.650 1.306 1.00 50.13 C ATOM 450 C THR A 29 -6.473 -5.970 0.540 1.00 63.10 C ATOM 451 O THR A 29 -5.578 -6.657 1.064 1.00 54.41 O ATOM 452 CB THR A 29 -7.538 -4.466 2.268 1.00 13.33 C ATOM 453 OG1 THR A 29 -8.663 -4.261 3.099 1.00 62.40 O ATOM 454 CG2 THR A 29 -7.179 -3.157 1.548 1.00 71.11 C ATOM 0 H THR A 29 -7.234 -7.219 2.525 1.00 73.41 H new ATOM 0 HA THR A 29 -8.557 -5.373 0.624 1.00 50.13 H new ATOM 0 HB THR A 29 -6.683 -4.744 2.884 1.00 13.33 H new ATOM 0 HG1 THR A 29 -8.494 -3.504 3.698 1.00 62.40 H new ATOM 0 HG21 THR A 29 -7.041 -2.364 2.283 1.00 71.11 H new ATOM 0 HG22 THR A 29 -6.256 -3.293 0.984 1.00 71.11 H new ATOM 0 HG23 THR A 29 -7.984 -2.884 0.866 1.00 71.11 H new ATOM 462 N CYS A 30 -6.345 -5.414 -0.662 1.00 4.14 N ATOM 463 CA CYS A 30 -5.081 -5.285 -1.357 1.00 71.43 C ATOM 464 C CYS A 30 -4.996 -3.866 -1.931 1.00 50.03 C ATOM 465 O CYS A 30 -6.022 -3.191 -2.060 1.00 44.41 O ATOM 466 CB CYS A 30 -4.953 -6.411 -2.397 1.00 52.10 C ATOM 467 SG CYS A 30 -6.103 -6.179 -3.782 1.00 1.13 S ATOM 0 H CYS A 30 -7.135 -5.036 -1.184 1.00 4.14 H new ATOM 0 HA CYS A 30 -4.226 -5.407 -0.692 1.00 71.43 H new ATOM 0 HB2 CYS A 30 -3.931 -6.444 -2.774 1.00 52.10 H new ATOM 0 HB3 CYS A 30 -5.147 -7.371 -1.919 1.00 52.10 H new ATOM 0 HG CYS A 30 -5.958 -7.150 -4.634 1.00 1.13 H new ATOM 473 N TYR A 31 -3.783 -3.419 -2.251 1.00 54.01 N ATOM 474 CA TYR A 31 -3.460 -2.112 -2.807 1.00 70.50 C ATOM 475 C TYR A 31 -2.584 -2.393 -4.040 1.00 73.23 C ATOM 476 O TYR A 31 -1.494 -2.956 -3.898 1.00 3.45 O ATOM 477 CB TYR A 31 -2.673 -1.269 -1.779 1.00 41.30 C ATOM 478 CG TYR A 31 -3.359 -0.701 -0.542 1.00 65.33 C ATOM 479 CD1 TYR A 31 -3.395 -1.437 0.652 1.00 61.31 C ATOM 480 CD2 TYR A 31 -3.870 0.612 -0.541 1.00 24.12 C ATOM 481 CE1 TYR A 31 -3.980 -0.886 1.808 1.00 11.24 C ATOM 482 CE2 TYR A 31 -4.485 1.165 0.593 1.00 54.33 C ATOM 483 CZ TYR A 31 -4.560 0.402 1.778 1.00 21.14 C ATOM 484 OH TYR A 31 -5.195 0.870 2.888 1.00 23.54 O ATOM 0 H TYR A 31 -2.952 -3.996 -2.120 1.00 54.01 H new ATOM 0 HA TYR A 31 -4.359 -1.552 -3.065 1.00 70.50 H new ATOM 0 HB2 TYR A 31 -1.843 -1.883 -1.430 1.00 41.30 H new ATOM 0 HB3 TYR A 31 -2.241 -0.427 -2.320 1.00 41.30 H new ATOM 0 HD1 TYR A 31 -2.972 -2.430 0.684 1.00 61.31 H new ATOM 0 HD2 TYR A 31 -3.786 1.209 -1.437 1.00 24.12 H new ATOM 0 HE1 TYR A 31 -3.985 -1.454 2.727 1.00 11.24 H new ATOM 0 HE2 TYR A 31 -4.896 2.163 0.559 1.00 54.33 H new ATOM 0 HH TYR A 31 -5.540 1.770 2.712 1.00 23.54 H new ATOM 494 N THR A 32 -3.029 -2.032 -5.245 1.00 23.42 N ATOM 495 CA THR A 32 -2.304 -2.241 -6.497 1.00 12.55 C ATOM 496 C THR A 32 -1.800 -0.897 -7.027 1.00 21.23 C ATOM 497 O THR A 32 -2.599 -0.012 -7.315 1.00 4.41 O ATOM 498 CB THR A 32 -3.205 -2.932 -7.538 1.00 34.21 C ATOM 499 OG1 THR A 32 -3.891 -4.044 -6.987 1.00 43.14 O ATOM 500 CG2 THR A 32 -2.323 -3.465 -8.669 1.00 23.31 C ATOM 0 H THR A 32 -3.930 -1.573 -5.379 1.00 23.42 H new ATOM 0 HA THR A 32 -1.450 -2.892 -6.309 1.00 12.55 H new ATOM 0 HB THR A 32 -3.932 -2.198 -7.887 1.00 34.21 H new ATOM 0 HG1 THR A 32 -4.454 -4.455 -7.676 1.00 43.14 H new ATOM 0 HG21 THR A 32 -2.946 -3.958 -9.415 1.00 23.31 H new ATOM 0 HG22 THR A 32 -1.787 -2.637 -9.133 1.00 23.31 H new ATOM 0 HG23 THR A 32 -1.606 -4.180 -8.265 1.00 23.31 H new ATOM 508 N PHE A 33 -0.488 -0.731 -7.185 1.00 70.30 N ATOM 509 CA PHE A 33 0.135 0.489 -7.700 1.00 23.22 C ATOM 510 C PHE A 33 0.416 0.235 -9.173 1.00 3.45 C ATOM 511 O PHE A 33 1.119 -0.720 -9.464 1.00 3.12 O ATOM 512 CB PHE A 33 1.431 0.780 -6.915 1.00 53.52 C ATOM 513 CG PHE A 33 1.208 0.712 -5.421 1.00 45.03 C ATOM 514 CD1 PHE A 33 0.791 1.856 -4.720 1.00 63.31 C ATOM 515 CD2 PHE A 33 1.267 -0.536 -4.772 1.00 34.21 C ATOM 516 CE1 PHE A 33 0.355 1.736 -3.393 1.00 31.34 C ATOM 517 CE2 PHE A 33 0.785 -0.663 -3.463 1.00 41.33 C ATOM 518 CZ PHE A 33 0.287 0.465 -2.794 1.00 52.20 C ATOM 0 H PHE A 33 0.188 -1.458 -6.953 1.00 70.30 H new ATOM 0 HA PHE A 33 -0.508 1.361 -7.584 1.00 23.22 H new ATOM 0 HB2 PHE A 33 2.199 0.061 -7.201 1.00 53.52 H new ATOM 0 HB3 PHE A 33 1.804 1.769 -7.182 1.00 53.52 H new ATOM 0 HD1 PHE A 33 0.806 2.823 -5.201 1.00 63.31 H new ATOM 0 HD2 PHE A 33 1.683 -1.393 -5.282 1.00 34.21 H new ATOM 0 HE1 PHE A 33 0.073 2.615 -2.833 1.00 31.34 H new ATOM 0 HE2 PHE A 33 0.797 -1.624 -2.971 1.00 41.33 H new ATOM 0 HZ PHE A 33 -0.151 0.357 -1.813 1.00 52.20 H new ATOM 528 N ASN A 34 -0.159 0.991 -10.114 1.00 24.02 N ATOM 529 CA ASN A 34 0.242 0.842 -11.523 1.00 22.23 C ATOM 530 C ASN A 34 1.510 1.654 -11.760 1.00 10.24 C ATOM 531 O ASN A 34 1.900 2.447 -10.901 1.00 63.01 O ATOM 532 CB ASN A 34 -0.874 1.232 -12.505 1.00 23.23 C ATOM 533 CG ASN A 34 -2.146 0.367 -12.453 1.00 33.22 C ATOM 534 OD1 ASN A 34 -2.913 0.340 -13.415 1.00 14.41 O ATOM 535 ND2 ASN A 34 -2.419 -0.379 -11.393 1.00 61.00 N ATOM 0 H ASN A 34 -0.880 1.691 -9.939 1.00 24.02 H new ATOM 0 HA ASN A 34 0.440 -0.212 -11.716 1.00 22.23 H new ATOM 0 HB2 ASN A 34 -1.154 2.268 -12.314 1.00 23.23 H new ATOM 0 HB3 ASN A 34 -0.472 1.192 -13.517 1.00 23.23 H new ATOM 0 HD21 ASN A 34 -3.254 -0.964 -11.383 1.00 61.00 H new ATOM 0 HD22 ASN A 34 -1.794 -0.368 -10.587 1.00 61.00 H new ATOM 542 N ALA A 35 2.137 1.484 -12.925 1.00 51.40 N ATOM 543 CA ALA A 35 3.467 2.011 -13.195 1.00 30.43 C ATOM 544 C ALA A 35 3.567 3.513 -12.917 1.00 73.22 C ATOM 545 O ALA A 35 4.512 3.939 -12.254 1.00 71.03 O ATOM 546 CB ALA A 35 3.890 1.655 -14.622 1.00 4.43 C ATOM 0 H ALA A 35 1.731 0.974 -13.709 1.00 51.40 H new ATOM 0 HA ALA A 35 4.166 1.539 -12.504 1.00 30.43 H new ATOM 0 HB1 ALA A 35 4.886 2.053 -14.816 1.00 4.43 H new ATOM 0 HB2 ALA A 35 3.903 0.571 -14.738 1.00 4.43 H new ATOM 0 HB3 ALA A 35 3.182 2.087 -15.330 1.00 4.43 H new ATOM 552 N ASP A 36 2.608 4.306 -13.400 1.00 43.42 N ATOM 553 CA ASP A 36 2.640 5.780 -13.250 1.00 24.14 C ATOM 554 C ASP A 36 1.274 6.411 -13.584 1.00 62.00 C ATOM 555 O ASP A 36 1.182 7.570 -14.007 1.00 11.13 O ATOM 556 CB ASP A 36 3.775 6.396 -14.110 1.00 72.42 C ATOM 557 CG ASP A 36 4.548 7.511 -13.392 1.00 13.22 C ATOM 558 OD1 ASP A 36 3.964 8.545 -12.981 1.00 54.10 O ATOM 559 OD2 ASP A 36 5.785 7.397 -13.268 1.00 1.42 O ATOM 0 H ASP A 36 1.791 3.959 -13.903 1.00 43.42 H new ATOM 0 HA ASP A 36 2.851 6.006 -12.205 1.00 24.14 H new ATOM 0 HB2 ASP A 36 4.471 5.608 -14.397 1.00 72.42 H new ATOM 0 HB3 ASP A 36 3.348 6.795 -15.030 1.00 72.42 H new ATOM 564 N LYS A 37 0.195 5.627 -13.463 1.00 61.43 N ATOM 565 CA LYS A 37 -1.102 5.878 -14.078 1.00 14.25 C ATOM 566 C LYS A 37 -2.228 5.972 -13.050 1.00 4.45 C ATOM 567 O LYS A 37 -2.855 7.023 -12.957 1.00 3.52 O ATOM 568 CB LYS A 37 -1.354 4.834 -15.177 1.00 23.44 C ATOM 569 CG LYS A 37 -2.759 4.879 -15.802 1.00 42.30 C ATOM 570 CD LYS A 37 -3.223 6.256 -16.298 1.00 44.11 C ATOM 571 CE LYS A 37 -2.772 6.532 -17.740 1.00 30.21 C ATOM 572 NZ LYS A 37 -2.364 7.936 -17.943 1.00 11.24 N ATOM 0 H LYS A 37 0.209 4.769 -12.912 1.00 61.43 H new ATOM 0 HA LYS A 37 -1.088 6.860 -14.550 1.00 14.25 H new ATOM 0 HB2 LYS A 37 -0.616 4.974 -15.967 1.00 23.44 H new ATOM 0 HB3 LYS A 37 -1.190 3.841 -14.759 1.00 23.44 H new ATOM 0 HG2 LYS A 37 -2.786 4.183 -16.641 1.00 42.30 H new ATOM 0 HG3 LYS A 37 -3.476 4.518 -15.065 1.00 42.30 H new ATOM 0 HD2 LYS A 37 -4.310 6.314 -16.241 1.00 44.11 H new ATOM 0 HD3 LYS A 37 -2.828 7.030 -15.640 1.00 44.11 H new ATOM 0 HE2 LYS A 37 -1.939 5.875 -17.989 1.00 30.21 H new ATOM 0 HE3 LYS A 37 -3.585 6.290 -18.425 1.00 30.21 H new ATOM 0 HZ1 LYS A 37 -2.068 8.072 -18.931 1.00 11.24 H new ATOM 0 HZ2 LYS A 37 -3.165 8.564 -17.732 1.00 11.24 H new ATOM 0 HZ3 LYS A 37 -1.570 8.162 -17.310 1.00 11.24 H new ATOM 586 N THR A 38 -2.547 4.902 -12.325 1.00 13.33 N ATOM 587 CA THR A 38 -3.508 4.955 -11.237 1.00 31.23 C ATOM 588 C THR A 38 -3.237 3.784 -10.293 1.00 44.24 C ATOM 589 O THR A 38 -2.752 2.732 -10.707 1.00 73.44 O ATOM 590 CB THR A 38 -4.960 5.043 -11.770 1.00 70.30 C ATOM 591 OG1 THR A 38 -5.915 5.163 -10.743 1.00 23.42 O ATOM 592 CG2 THR A 38 -5.396 3.871 -12.643 1.00 44.23 C ATOM 0 H THR A 38 -2.145 3.977 -12.479 1.00 13.33 H new ATOM 0 HA THR A 38 -3.388 5.869 -10.655 1.00 31.23 H new ATOM 0 HB THR A 38 -4.927 5.945 -12.381 1.00 70.30 H new ATOM 0 HG1 THR A 38 -5.628 5.852 -10.108 1.00 23.42 H new ATOM 0 HG21 THR A 38 -6.425 4.022 -12.968 1.00 44.23 H new ATOM 0 HG22 THR A 38 -4.746 3.806 -13.516 1.00 44.23 H new ATOM 0 HG23 THR A 38 -5.329 2.946 -12.070 1.00 44.23 H new ATOM 600 N TYR A 39 -3.519 3.965 -9.009 1.00 54.32 N ATOM 601 CA TYR A 39 -3.512 2.886 -8.033 1.00 11.52 C ATOM 602 C TYR A 39 -4.939 2.348 -7.902 1.00 32.05 C ATOM 603 O TYR A 39 -5.879 2.987 -8.369 1.00 25.35 O ATOM 604 CB TYR A 39 -2.884 3.369 -6.713 1.00 33.23 C ATOM 605 CG TYR A 39 -3.753 4.200 -5.788 1.00 64.51 C ATOM 606 CD1 TYR A 39 -3.856 5.571 -6.036 1.00 41.31 C ATOM 607 CD2 TYR A 39 -4.426 3.650 -4.679 1.00 3.41 C ATOM 608 CE1 TYR A 39 -4.659 6.397 -5.238 1.00 4.25 C ATOM 609 CE2 TYR A 39 -5.234 4.473 -3.871 1.00 13.21 C ATOM 610 CZ TYR A 39 -5.386 5.841 -4.167 1.00 50.12 C ATOM 611 OH TYR A 39 -6.259 6.589 -3.447 1.00 43.42 O ATOM 0 H TYR A 39 -3.761 4.874 -8.614 1.00 54.32 H new ATOM 0 HA TYR A 39 -2.886 2.054 -8.355 1.00 11.52 H new ATOM 0 HB2 TYR A 39 -2.546 2.492 -6.160 1.00 33.23 H new ATOM 0 HB3 TYR A 39 -1.997 3.953 -6.956 1.00 33.23 H new ATOM 0 HD1 TYR A 39 -3.306 6.003 -6.859 1.00 41.31 H new ATOM 0 HD2 TYR A 39 -4.322 2.600 -4.449 1.00 3.41 H new ATOM 0 HE1 TYR A 39 -4.720 7.456 -5.443 1.00 4.25 H new ATOM 0 HE2 TYR A 39 -5.742 4.051 -3.016 1.00 13.21 H new ATOM 0 HH TYR A 39 -6.565 7.347 -3.988 1.00 43.42 H new ATOM 621 N GLU A 40 -5.147 1.224 -7.228 1.00 2.21 N ATOM 622 CA GLU A 40 -6.453 0.610 -7.009 1.00 65.11 C ATOM 623 C GLU A 40 -6.436 -0.002 -5.617 1.00 24.23 C ATOM 624 O GLU A 40 -5.468 -0.676 -5.270 1.00 73.44 O ATOM 625 CB GLU A 40 -6.721 -0.524 -8.019 1.00 74.02 C ATOM 626 CG GLU A 40 -7.458 -0.118 -9.302 1.00 72.32 C ATOM 627 CD GLU A 40 -8.606 -1.095 -9.607 1.00 2.55 C ATOM 628 OE1 GLU A 40 -8.323 -2.273 -9.932 1.00 11.21 O ATOM 629 OE2 GLU A 40 -9.792 -0.702 -9.523 1.00 25.13 O ATOM 0 H GLU A 40 -4.385 0.695 -6.803 1.00 2.21 H new ATOM 0 HA GLU A 40 -7.227 1.368 -7.126 1.00 65.11 H new ATOM 0 HB2 GLU A 40 -5.766 -0.970 -8.297 1.00 74.02 H new ATOM 0 HB3 GLU A 40 -7.301 -1.300 -7.519 1.00 74.02 H new ATOM 0 HG2 GLU A 40 -7.853 0.892 -9.195 1.00 72.32 H new ATOM 0 HG3 GLU A 40 -6.759 -0.100 -10.138 1.00 72.32 H new ATOM 636 N VAL A 41 -7.487 0.191 -4.819 1.00 3.41 N ATOM 637 CA VAL A 41 -7.577 -0.388 -3.474 1.00 25.33 C ATOM 638 C VAL A 41 -9.037 -0.734 -3.223 1.00 13.12 C ATOM 639 O VAL A 41 -9.914 0.046 -3.583 1.00 41.40 O ATOM 640 CB VAL A 41 -6.977 0.535 -2.373 1.00 3.03 C ATOM 641 CG1 VAL A 41 -6.853 -0.211 -1.040 1.00 53.22 C ATOM 642 CG2 VAL A 41 -5.807 1.343 -2.854 1.00 45.20 C ATOM 0 H VAL A 41 -8.298 0.750 -5.083 1.00 3.41 H new ATOM 0 HA VAL A 41 -6.968 -1.290 -3.421 1.00 25.33 H new ATOM 0 HB VAL A 41 -7.679 1.335 -2.140 1.00 3.03 H new ATOM 0 HG11 VAL A 41 -6.431 0.456 -0.288 1.00 53.22 H new ATOM 0 HG12 VAL A 41 -7.839 -0.545 -0.717 1.00 53.22 H new ATOM 0 HG13 VAL A 41 -6.200 -1.075 -1.166 1.00 53.22 H new ATOM 0 HG21 VAL A 41 -5.435 1.965 -2.040 1.00 45.20 H new ATOM 0 HG22 VAL A 41 -5.015 0.673 -3.190 1.00 45.20 H new ATOM 0 HG23 VAL A 41 -6.120 1.979 -3.682 1.00 45.20 H new ATOM 652 N TYR A 42 -9.331 -1.893 -2.639 1.00 62.41 N ATOM 653 CA TYR A 42 -10.698 -2.277 -2.302 1.00 23.32 C ATOM 654 C TYR A 42 -10.705 -3.175 -1.071 1.00 43.41 C ATOM 655 O TYR A 42 -9.645 -3.622 -0.642 1.00 63.10 O ATOM 656 CB TYR A 42 -11.386 -2.939 -3.503 1.00 50.34 C ATOM 657 CG TYR A 42 -11.171 -4.428 -3.714 1.00 5.24 C ATOM 658 CD1 TYR A 42 -9.928 -5.047 -3.465 1.00 1.03 C ATOM 659 CD2 TYR A 42 -12.248 -5.196 -4.188 1.00 73.54 C ATOM 660 CE1 TYR A 42 -9.762 -6.418 -3.745 1.00 14.31 C ATOM 661 CE2 TYR A 42 -12.097 -6.570 -4.439 1.00 1.34 C ATOM 662 CZ TYR A 42 -10.841 -7.185 -4.242 1.00 74.10 C ATOM 663 OH TYR A 42 -10.658 -8.504 -4.534 1.00 3.11 O ATOM 0 H TYR A 42 -8.630 -2.590 -2.387 1.00 62.41 H new ATOM 0 HA TYR A 42 -11.270 -1.381 -2.059 1.00 23.32 H new ATOM 0 HB2 TYR A 42 -12.458 -2.766 -3.411 1.00 50.34 H new ATOM 0 HB3 TYR A 42 -11.056 -2.422 -4.404 1.00 50.34 H new ATOM 0 HD1 TYR A 42 -9.107 -4.473 -3.062 1.00 1.03 H new ATOM 0 HD2 TYR A 42 -13.204 -4.724 -4.362 1.00 73.54 H new ATOM 0 HE1 TYR A 42 -8.803 -6.887 -3.579 1.00 14.31 H new ATOM 0 HE2 TYR A 42 -12.939 -7.154 -4.781 1.00 1.34 H new ATOM 0 HH TYR A 42 -11.498 -8.886 -4.864 1.00 3.11 H new ATOM 673 N THR A 43 -11.871 -3.409 -0.476 1.00 22.13 N ATOM 674 CA THR A 43 -12.039 -4.250 0.702 1.00 14.04 C ATOM 675 C THR A 43 -13.384 -4.966 0.590 1.00 52.33 C ATOM 676 O THR A 43 -14.354 -4.379 0.102 1.00 33.42 O ATOM 677 CB THR A 43 -11.948 -3.361 1.958 1.00 74.13 C ATOM 678 OG1 THR A 43 -10.683 -2.724 1.968 1.00 13.14 O ATOM 679 CG2 THR A 43 -12.105 -4.116 3.281 1.00 43.20 C ATOM 0 H THR A 43 -12.747 -3.008 -0.810 1.00 22.13 H new ATOM 0 HA THR A 43 -11.259 -5.007 0.776 1.00 14.04 H new ATOM 0 HB THR A 43 -12.778 -2.657 1.894 1.00 74.13 H new ATOM 0 HG1 THR A 43 -10.024 -3.311 2.394 1.00 13.14 H new ATOM 0 HG21 THR A 43 -12.028 -3.414 4.112 1.00 43.20 H new ATOM 0 HG22 THR A 43 -13.079 -4.604 3.308 1.00 43.20 H new ATOM 0 HG23 THR A 43 -11.320 -4.867 3.367 1.00 43.20 H new ATOM 687 N GLY A 44 -13.453 -6.208 1.070 1.00 41.41 N ATOM 688 CA GLY A 44 -14.655 -7.033 0.976 1.00 61.10 C ATOM 689 C GLY A 44 -14.872 -7.538 -0.455 1.00 74.43 C ATOM 690 O GLY A 44 -13.988 -7.397 -1.300 1.00 63.51 O ATOM 0 H GLY A 44 -12.673 -6.671 1.537 1.00 41.41 H new ATOM 0 HA2 GLY A 44 -14.570 -7.882 1.655 1.00 61.10 H new ATOM 0 HA3 GLY A 44 -15.522 -6.455 1.295 1.00 61.10 H new ATOM 786 N PRO A 52 -13.988 -0.122 -5.837 1.00 5.31 N ATOM 787 CA PRO A 52 -12.558 0.043 -5.700 1.00 3.35 C ATOM 788 C PRO A 52 -12.211 1.529 -5.852 1.00 64.22 C ATOM 789 O PRO A 52 -12.913 2.304 -6.512 1.00 54.20 O ATOM 790 CB PRO A 52 -11.956 -0.822 -6.808 1.00 71.04 C ATOM 791 CG PRO A 52 -12.997 -0.739 -7.923 1.00 51.41 C ATOM 792 CD PRO A 52 -14.319 -0.538 -7.188 1.00 12.23 C ATOM 0 HA PRO A 52 -12.168 -0.263 -4.729 1.00 3.35 H new ATOM 0 HB2 PRO A 52 -10.987 -0.443 -7.133 1.00 71.04 H new ATOM 0 HB3 PRO A 52 -11.802 -1.849 -6.477 1.00 71.04 H new ATOM 0 HG2 PRO A 52 -12.789 0.089 -8.601 1.00 51.41 H new ATOM 0 HG3 PRO A 52 -13.010 -1.648 -8.524 1.00 51.41 H new ATOM 0 HD2 PRO A 52 -14.928 0.216 -7.687 1.00 12.23 H new ATOM 0 HD3 PRO A 52 -14.900 -1.460 -7.177 1.00 12.23 H new ATOM 800 N PHE A 53 -11.121 1.924 -5.209 1.00 70.50 N ATOM 801 CA PHE A 53 -10.500 3.230 -5.363 1.00 31.22 C ATOM 802 C PHE A 53 -9.821 3.284 -6.738 1.00 50.14 C ATOM 803 O PHE A 53 -9.419 2.238 -7.248 1.00 43.11 O ATOM 804 CB PHE A 53 -9.481 3.425 -4.218 1.00 74.34 C ATOM 805 CG PHE A 53 -9.672 4.597 -3.275 1.00 70.43 C ATOM 806 CD1 PHE A 53 -10.377 5.760 -3.641 1.00 43.13 C ATOM 807 CD2 PHE A 53 -9.058 4.537 -2.012 1.00 61.31 C ATOM 808 CE1 PHE A 53 -10.494 6.831 -2.740 1.00 63.43 C ATOM 809 CE2 PHE A 53 -9.156 5.613 -1.119 1.00 25.45 C ATOM 810 CZ PHE A 53 -9.898 6.756 -1.474 1.00 13.33 C ATOM 0 H PHE A 53 -10.630 1.325 -4.545 1.00 70.50 H new ATOM 0 HA PHE A 53 -11.235 4.033 -5.309 1.00 31.22 H new ATOM 0 HB2 PHE A 53 -9.476 2.514 -3.619 1.00 74.34 H new ATOM 0 HB3 PHE A 53 -8.492 3.517 -4.666 1.00 74.34 H new ATOM 0 HD1 PHE A 53 -10.830 5.829 -4.619 1.00 43.13 H new ATOM 0 HD2 PHE A 53 -8.506 3.654 -1.727 1.00 61.31 H new ATOM 0 HE1 PHE A 53 -11.045 7.715 -3.024 1.00 63.43 H new ATOM 0 HE2 PHE A 53 -8.663 5.565 -0.159 1.00 25.45 H new ATOM 0 HZ PHE A 53 -10.007 7.571 -0.774 1.00 13.33 H new ATOM 820 N ARG A 54 -9.656 4.475 -7.332 1.00 74.13 N ATOM 821 CA ARG A 54 -8.839 4.664 -8.535 1.00 41.50 C ATOM 822 C ARG A 54 -8.353 6.109 -8.598 1.00 32.01 C ATOM 823 O ARG A 54 -9.100 6.989 -9.020 1.00 50.32 O ATOM 824 CB ARG A 54 -9.503 4.183 -9.838 1.00 41.14 C ATOM 825 CG ARG A 54 -10.875 4.741 -10.213 1.00 64.41 C ATOM 826 CD ARG A 54 -11.948 3.947 -9.485 1.00 72.14 C ATOM 827 NE ARG A 54 -13.281 4.248 -10.024 1.00 74.44 N ATOM 828 CZ ARG A 54 -13.699 3.878 -11.240 1.00 21.44 C ATOM 829 NH1 ARG A 54 -13.012 2.979 -11.939 1.00 13.51 N ATOM 830 NH2 ARG A 54 -14.801 4.428 -11.738 1.00 5.44 N ATOM 0 H ARG A 54 -10.087 5.334 -6.990 1.00 74.13 H new ATOM 0 HA ARG A 54 -7.972 4.009 -8.448 1.00 41.50 H new ATOM 0 HB2 ARG A 54 -8.820 4.406 -10.658 1.00 41.14 H new ATOM 0 HB3 ARG A 54 -9.592 3.098 -9.783 1.00 41.14 H new ATOM 0 HG2 ARG A 54 -10.939 5.795 -9.944 1.00 64.41 H new ATOM 0 HG3 ARG A 54 -11.026 4.677 -11.291 1.00 64.41 H new ATOM 0 HD2 ARG A 54 -11.745 2.880 -9.582 1.00 72.14 H new ATOM 0 HD3 ARG A 54 -11.920 4.182 -8.421 1.00 72.14 H new ATOM 0 HE ARG A 54 -13.928 4.772 -9.435 1.00 74.44 H new ATOM 0 HH11 ARG A 54 -12.164 2.569 -11.548 1.00 13.51 H new ATOM 0 HH12 ARG A 54 -13.334 2.699 -12.866 1.00 13.51 H new ATOM 0 HH21 ARG A 54 -15.315 5.122 -11.195 1.00 5.44 H new ATOM 0 HH22 ARG A 54 -15.133 4.157 -12.664 1.00 5.44 H new ATOM 844 N GLY A 55 -7.138 6.379 -8.143 1.00 30.03 N ATOM 845 CA GLY A 55 -6.517 7.701 -8.099 1.00 13.45 C ATOM 846 C GLY A 55 -5.024 7.549 -8.326 1.00 64.04 C ATOM 847 O GLY A 55 -4.613 6.569 -8.936 1.00 12.32 O ATOM 0 H GLY A 55 -6.527 5.649 -7.776 1.00 30.03 H new ATOM 0 HA2 GLY A 55 -6.951 8.347 -8.862 1.00 13.45 H new ATOM 0 HA3 GLY A 55 -6.706 8.175 -7.136 1.00 13.45 H new ATOM 851 N THR A 56 -4.183 8.457 -7.847 1.00 11.34 N ATOM 852 CA THR A 56 -2.742 8.456 -8.096 1.00 50.23 C ATOM 853 C THR A 56 -1.999 8.306 -6.763 1.00 14.51 C ATOM 854 O THR A 56 -2.284 9.030 -5.803 1.00 42.24 O ATOM 855 CB THR A 56 -2.368 9.724 -8.891 1.00 62.11 C ATOM 856 OG1 THR A 56 -3.118 10.844 -8.449 1.00 2.32 O ATOM 857 CG2 THR A 56 -2.696 9.555 -10.376 1.00 62.24 C ATOM 0 H THR A 56 -4.488 9.234 -7.261 1.00 11.34 H new ATOM 0 HA THR A 56 -2.439 7.607 -8.710 1.00 50.23 H new ATOM 0 HB THR A 56 -1.300 9.879 -8.735 1.00 62.11 H new ATOM 0 HG1 THR A 56 -2.861 11.635 -8.967 1.00 2.32 H new ATOM 0 HG21 THR A 56 -2.423 10.463 -10.914 1.00 62.24 H new ATOM 0 HG22 THR A 56 -2.135 8.712 -10.779 1.00 62.24 H new ATOM 0 HG23 THR A 56 -3.764 9.370 -10.494 1.00 62.24 H new ATOM 865 N TYR A 57 -1.104 7.319 -6.661 1.00 33.13 N ATOM 866 CA TYR A 57 -0.120 7.283 -5.579 1.00 45.11 C ATOM 867 C TYR A 57 1.071 8.123 -6.023 1.00 50.21 C ATOM 868 O TYR A 57 1.393 8.156 -7.215 1.00 5.55 O ATOM 869 CB TYR A 57 0.330 5.853 -5.221 1.00 53.32 C ATOM 870 CG TYR A 57 1.380 5.248 -6.145 1.00 64.24 C ATOM 871 CD1 TYR A 57 1.025 4.842 -7.443 1.00 63.01 C ATOM 872 CD2 TYR A 57 2.731 5.160 -5.743 1.00 74.44 C ATOM 873 CE1 TYR A 57 2.015 4.417 -8.344 1.00 41.42 C ATOM 874 CE2 TYR A 57 3.714 4.711 -6.649 1.00 42.24 C ATOM 875 CZ TYR A 57 3.366 4.349 -7.962 1.00 34.35 C ATOM 876 OH TYR A 57 4.325 3.937 -8.840 1.00 43.30 O ATOM 0 H TYR A 57 -1.042 6.537 -7.313 1.00 33.13 H new ATOM 0 HA TYR A 57 -0.575 7.682 -4.673 1.00 45.11 H new ATOM 0 HB2 TYR A 57 0.724 5.858 -4.205 1.00 53.32 H new ATOM 0 HB3 TYR A 57 -0.546 5.204 -5.220 1.00 53.32 H new ATOM 0 HD1 TYR A 57 -0.011 4.857 -7.748 1.00 63.01 H new ATOM 0 HD2 TYR A 57 3.012 5.438 -4.738 1.00 74.44 H new ATOM 0 HE1 TYR A 57 1.733 4.137 -9.348 1.00 41.42 H new ATOM 0 HE2 TYR A 57 4.744 4.645 -6.331 1.00 42.24 H new ATOM 0 HH TYR A 57 5.201 3.955 -8.400 1.00 43.30 H new ATOM 886 N ILE A 58 1.721 8.763 -5.057 1.00 61.13 N ATOM 887 CA ILE A 58 2.965 9.517 -5.214 1.00 23.12 C ATOM 888 C ILE A 58 3.739 9.315 -3.902 1.00 52.41 C ATOM 889 O ILE A 58 3.136 8.988 -2.874 1.00 74.41 O ATOM 890 CB ILE A 58 2.690 11.017 -5.533 1.00 51.12 C ATOM 891 CG1 ILE A 58 1.724 11.180 -6.728 1.00 23.34 C ATOM 892 CG2 ILE A 58 3.999 11.761 -5.859 1.00 5.34 C ATOM 893 CD1 ILE A 58 1.450 12.610 -7.191 1.00 70.02 C ATOM 0 H ILE A 58 1.380 8.772 -4.096 1.00 61.13 H new ATOM 0 HA ILE A 58 3.551 9.163 -6.062 1.00 23.12 H new ATOM 0 HB ILE A 58 2.232 11.445 -4.641 1.00 51.12 H new ATOM 0 HG12 ILE A 58 2.127 10.619 -7.572 1.00 23.34 H new ATOM 0 HG13 ILE A 58 0.773 10.719 -6.463 1.00 23.34 H new ATOM 0 HG21 ILE A 58 3.779 12.806 -6.078 1.00 5.34 H new ATOM 0 HG22 ILE A 58 4.673 11.704 -5.004 1.00 5.34 H new ATOM 0 HG23 ILE A 58 4.473 11.301 -6.726 1.00 5.34 H new ATOM 0 HD11 ILE A 58 0.759 12.593 -8.034 1.00 70.02 H new ATOM 0 HD12 ILE A 58 1.010 13.180 -6.372 1.00 70.02 H new ATOM 0 HD13 ILE A 58 2.385 13.079 -7.498 1.00 70.02 H new ATOM 905 N ILE A 59 5.064 9.481 -3.923 1.00 45.02 N ATOM 906 CA ILE A 59 5.945 9.345 -2.766 1.00 70.44 C ATOM 907 C ILE A 59 6.794 10.617 -2.633 1.00 54.40 C ATOM 908 O ILE A 59 6.703 11.553 -3.433 1.00 14.43 O ATOM 909 CB ILE A 59 6.768 8.027 -2.878 1.00 43.43 C ATOM 910 CG1 ILE A 59 5.890 6.777 -3.131 1.00 73.20 C ATOM 911 CG2 ILE A 59 7.636 7.718 -1.640 1.00 71.44 C ATOM 912 CD1 ILE A 59 6.004 6.260 -4.559 1.00 70.24 C ATOM 0 H ILE A 59 5.568 9.722 -4.777 1.00 45.02 H new ATOM 0 HA ILE A 59 5.376 9.255 -1.841 1.00 70.44 H new ATOM 0 HB ILE A 59 7.411 8.222 -3.736 1.00 43.43 H new ATOM 0 HG12 ILE A 59 6.181 5.987 -2.438 1.00 73.20 H new ATOM 0 HG13 ILE A 59 4.849 7.020 -2.919 1.00 73.20 H new ATOM 0 HG21 ILE A 59 8.176 6.785 -1.798 1.00 71.44 H new ATOM 0 HG22 ILE A 59 8.348 8.528 -1.484 1.00 71.44 H new ATOM 0 HG23 ILE A 59 6.997 7.623 -0.762 1.00 71.44 H new ATOM 0 HD11 ILE A 59 5.368 5.383 -4.680 1.00 70.24 H new ATOM 0 HD12 ILE A 59 5.687 7.038 -5.254 1.00 70.24 H new ATOM 0 HD13 ILE A 59 7.039 5.989 -4.766 1.00 70.24 H new ATOM 924 N SER A 60 7.600 10.665 -1.582 1.00 11.03 N ATOM 925 CA SER A 60 8.717 11.553 -1.368 1.00 64.50 C ATOM 926 C SER A 60 9.788 10.708 -0.687 1.00 41.20 C ATOM 927 O SER A 60 9.458 9.857 0.140 1.00 10.41 O ATOM 928 CB SER A 60 8.258 12.708 -0.476 1.00 10.43 C ATOM 929 OG SER A 60 7.885 13.841 -1.238 1.00 43.44 O ATOM 0 H SER A 60 7.472 10.028 -0.796 1.00 11.03 H new ATOM 0 HA SER A 60 9.106 11.986 -2.289 1.00 64.50 H new ATOM 0 HB2 SER A 60 7.414 12.385 0.133 1.00 10.43 H new ATOM 0 HB3 SER A 60 9.060 12.979 0.210 1.00 10.43 H new ATOM 0 HG SER A 60 7.596 14.559 -0.637 1.00 43.44 H new ATOM 935 N LEU A 61 11.053 10.932 -1.033 1.00 70.40 N ATOM 936 CA LEU A 61 12.176 10.424 -0.255 1.00 5.03 C ATOM 937 C LEU A 61 12.524 11.421 0.850 1.00 34.45 C ATOM 938 O LEU A 61 13.083 11.028 1.866 1.00 33.22 O ATOM 939 CB LEU A 61 13.399 10.188 -1.164 1.00 74.40 C ATOM 940 CG LEU A 61 13.443 8.773 -1.771 1.00 34.33 C ATOM 941 CD1 LEU A 61 12.256 8.463 -2.690 1.00 33.22 C ATOM 942 CD2 LEU A 61 14.738 8.585 -2.564 1.00 65.51 C ATOM 0 H LEU A 61 11.326 11.468 -1.857 1.00 70.40 H new ATOM 0 HA LEU A 61 11.895 9.472 0.195 1.00 5.03 H new ATOM 0 HB2 LEU A 61 13.391 10.922 -1.970 1.00 74.40 H new ATOM 0 HB3 LEU A 61 14.309 10.357 -0.588 1.00 74.40 H new ATOM 0 HG LEU A 61 13.393 8.083 -0.929 1.00 34.33 H new ATOM 0 HD11 LEU A 61 12.353 7.450 -3.081 1.00 33.22 H new ATOM 0 HD12 LEU A 61 11.327 8.546 -2.125 1.00 33.22 H new ATOM 0 HD13 LEU A 61 12.242 9.172 -3.518 1.00 33.22 H new ATOM 0 HD21 LEU A 61 14.761 7.582 -2.990 1.00 65.51 H new ATOM 0 HD22 LEU A 61 14.783 9.321 -3.367 1.00 65.51 H new ATOM 0 HD23 LEU A 61 15.593 8.718 -1.901 1.00 65.51 H new ATOM 954 N ASP A 62 12.200 12.701 0.673 1.00 71.22 N ATOM 955 CA ASP A 62 12.912 13.770 1.361 1.00 14.43 C ATOM 956 C ASP A 62 12.634 13.826 2.862 1.00 31.14 C ATOM 957 O ASP A 62 13.522 14.216 3.614 1.00 24.21 O ATOM 958 CB ASP A 62 12.564 15.121 0.729 1.00 74.32 C ATOM 959 CG ASP A 62 12.903 15.143 -0.759 1.00 31.41 C ATOM 960 OD1 ASP A 62 14.077 15.405 -1.099 1.00 52.21 O ATOM 961 OD2 ASP A 62 12.003 14.814 -1.570 1.00 30.42 O ATOM 0 H ASP A 62 11.450 13.020 0.060 1.00 71.22 H new ATOM 0 HA ASP A 62 13.974 13.551 1.245 1.00 14.43 H new ATOM 0 HB2 ASP A 62 11.502 15.325 0.865 1.00 74.32 H new ATOM 0 HB3 ASP A 62 13.109 15.915 1.240 1.00 74.32 H new ATOM 966 N GLU A 63 11.412 13.516 3.305 1.00 11.21 N ATOM 967 CA GLU A 63 10.892 13.600 4.663 1.00 12.15 C ATOM 968 C GLU A 63 9.404 13.250 4.563 1.00 24.24 C ATOM 969 O GLU A 63 8.900 12.419 5.320 1.00 11.03 O ATOM 970 CB GLU A 63 11.174 15.000 5.246 1.00 13.34 C ATOM 971 CG GLU A 63 10.219 15.484 6.339 1.00 43.12 C ATOM 972 CD GLU A 63 10.032 16.998 6.250 1.00 21.14 C ATOM 973 OE1 GLU A 63 9.202 17.437 5.420 1.00 64.53 O ATOM 974 OE2 GLU A 63 10.678 17.781 6.985 1.00 33.44 O ATOM 0 H GLU A 63 10.702 13.169 2.660 1.00 11.21 H new ATOM 0 HA GLU A 63 11.373 12.907 5.354 1.00 12.15 H new ATOM 0 HB2 GLU A 63 12.187 15.005 5.650 1.00 13.34 H new ATOM 0 HB3 GLU A 63 11.153 15.721 4.429 1.00 13.34 H new ATOM 0 HG2 GLU A 63 9.255 14.985 6.236 1.00 43.12 H new ATOM 0 HG3 GLU A 63 10.613 15.217 7.320 1.00 43.12 H new ATOM 981 N LYS A 64 8.676 13.862 3.612 1.00 23.45 N ATOM 982 CA LYS A 64 7.381 13.331 3.208 1.00 61.51 C ATOM 983 C LYS A 64 7.618 11.961 2.581 1.00 32.15 C ATOM 984 O LYS A 64 8.753 11.551 2.331 1.00 12.05 O ATOM 985 CB LYS A 64 6.593 14.293 2.283 1.00 34.34 C ATOM 986 CG LYS A 64 5.595 15.156 3.079 1.00 65.13 C ATOM 987 CD LYS A 64 6.313 16.290 3.816 1.00 73.23 C ATOM 988 CE LYS A 64 5.601 16.761 5.085 1.00 33.43 C ATOM 989 NZ LYS A 64 6.569 16.945 6.190 1.00 5.44 N ATOM 0 H LYS A 64 8.963 14.709 3.122 1.00 23.45 H new ATOM 0 HA LYS A 64 6.739 13.227 4.083 1.00 61.51 H new ATOM 0 HB2 LYS A 64 7.291 14.940 1.751 1.00 34.34 H new ATOM 0 HB3 LYS A 64 6.056 13.716 1.530 1.00 34.34 H new ATOM 0 HG2 LYS A 64 4.849 15.573 2.402 1.00 65.13 H new ATOM 0 HG3 LYS A 64 5.061 14.532 3.796 1.00 65.13 H new ATOM 0 HD2 LYS A 64 7.318 15.959 4.078 1.00 73.23 H new ATOM 0 HD3 LYS A 64 6.423 17.137 3.138 1.00 73.23 H new ATOM 0 HE2 LYS A 64 5.082 17.699 4.890 1.00 33.43 H new ATOM 0 HE3 LYS A 64 4.844 16.032 5.375 1.00 33.43 H new ATOM 0 HZ1 LYS A 64 6.303 17.780 6.749 1.00 5.44 H new ATOM 0 HZ2 LYS A 64 6.563 16.103 6.801 1.00 5.44 H new ATOM 0 HZ3 LYS A 64 7.522 17.081 5.797 1.00 5.44 H new ATOM 1003 N LEU A 65 6.519 11.270 2.326 1.00 23.23 N ATOM 1004 CA LEU A 65 6.476 9.844 2.068 1.00 21.33 C ATOM 1005 C LEU A 65 5.318 9.510 1.130 1.00 14.02 C ATOM 1006 O LEU A 65 4.845 10.403 0.422 1.00 14.24 O ATOM 1007 CB LEU A 65 6.503 9.102 3.414 1.00 3.45 C ATOM 1008 CG LEU A 65 5.459 9.416 4.514 1.00 21.53 C ATOM 1009 CD1 LEU A 65 5.763 10.680 5.326 1.00 62.50 C ATOM 1010 CD2 LEU A 65 4.020 9.516 4.015 1.00 64.50 C ATOM 0 H LEU A 65 5.598 11.706 2.292 1.00 23.23 H new ATOM 0 HA LEU A 65 7.355 9.495 1.525 1.00 21.33 H new ATOM 0 HB2 LEU A 65 6.426 8.037 3.194 1.00 3.45 H new ATOM 0 HB3 LEU A 65 7.488 9.267 3.851 1.00 3.45 H new ATOM 0 HG LEU A 65 5.548 8.542 5.159 1.00 21.53 H new ATOM 0 HD11 LEU A 65 4.984 10.828 6.074 1.00 62.50 H new ATOM 0 HD12 LEU A 65 6.727 10.570 5.822 1.00 62.50 H new ATOM 0 HD13 LEU A 65 5.794 11.542 4.659 1.00 62.50 H new ATOM 0 HD21 LEU A 65 3.359 9.738 4.853 1.00 64.50 H new ATOM 0 HD22 LEU A 65 3.946 10.312 3.274 1.00 64.50 H new ATOM 0 HD23 LEU A 65 3.726 8.570 3.562 1.00 64.50 H new ATOM 1022 N ILE A 66 4.929 8.235 1.037 1.00 45.31 N ATOM 1023 CA ILE A 66 3.874 7.779 0.140 1.00 71.10 C ATOM 1024 C ILE A 66 2.515 8.245 0.646 1.00 70.32 C ATOM 1025 O ILE A 66 2.176 8.034 1.814 1.00 61.51 O ATOM 1026 CB ILE A 66 3.947 6.254 -0.109 1.00 53.31 C ATOM 1027 CG1 ILE A 66 2.815 5.831 -1.076 1.00 22.12 C ATOM 1028 CG2 ILE A 66 3.968 5.392 1.165 1.00 45.22 C ATOM 1029 CD1 ILE A 66 3.018 4.445 -1.688 1.00 23.53 C ATOM 0 H ILE A 66 5.345 7.486 1.590 1.00 45.31 H new ATOM 0 HA ILE A 66 4.025 8.236 -0.838 1.00 71.10 H new ATOM 0 HB ILE A 66 4.916 6.061 -0.570 1.00 53.31 H new ATOM 0 HG12 ILE A 66 1.866 5.847 -0.540 1.00 22.12 H new ATOM 0 HG13 ILE A 66 2.740 6.566 -1.878 1.00 22.12 H new ATOM 0 HG21 ILE A 66 4.020 4.338 0.891 1.00 45.22 H new ATOM 0 HG22 ILE A 66 4.838 5.653 1.767 1.00 45.22 H new ATOM 0 HG23 ILE A 66 3.061 5.573 1.741 1.00 45.22 H new ATOM 0 HD11 ILE A 66 2.186 4.216 -2.354 1.00 23.53 H new ATOM 0 HD12 ILE A 66 3.950 4.430 -2.253 1.00 23.53 H new ATOM 0 HD13 ILE A 66 3.062 3.700 -0.894 1.00 23.53 H new ATOM 1041 N LYS A 67 1.698 8.823 -0.235 1.00 3.43 N ATOM 1042 CA LYS A 67 0.287 9.065 0.043 1.00 65.33 C ATOM 1043 C LYS A 67 -0.545 8.573 -1.136 1.00 41.04 C ATOM 1044 O LYS A 67 -0.052 8.460 -2.264 1.00 1.32 O ATOM 1045 CB LYS A 67 0.028 10.526 0.431 1.00 10.11 C ATOM 1046 CG LYS A 67 0.847 10.989 1.652 1.00 2.03 C ATOM 1047 CD LYS A 67 0.487 12.421 2.053 1.00 44.00 C ATOM 1048 CE LYS A 67 1.570 13.012 2.961 1.00 43.04 C ATOM 1049 NZ LYS A 67 1.162 14.336 3.462 1.00 63.20 N ATOM 0 H LYS A 67 1.997 9.135 -1.159 1.00 3.43 H new ATOM 0 HA LYS A 67 -0.024 8.494 0.918 1.00 65.33 H new ATOM 0 HB2 LYS A 67 0.263 11.167 -0.419 1.00 10.11 H new ATOM 0 HB3 LYS A 67 -1.033 10.655 0.644 1.00 10.11 H new ATOM 0 HG2 LYS A 67 0.664 10.317 2.491 1.00 2.03 H new ATOM 0 HG3 LYS A 67 1.911 10.930 1.422 1.00 2.03 H new ATOM 0 HD2 LYS A 67 0.376 13.038 1.161 1.00 44.00 H new ATOM 0 HD3 LYS A 67 -0.473 12.430 2.569 1.00 44.00 H new ATOM 0 HE2 LYS A 67 1.755 12.341 3.800 1.00 43.04 H new ATOM 0 HE3 LYS A 67 2.506 13.099 2.410 1.00 43.04 H new ATOM 0 HZ1 LYS A 67 1.909 14.720 4.075 1.00 63.20 H new ATOM 0 HZ2 LYS A 67 1.009 14.979 2.659 1.00 63.20 H new ATOM 0 HZ3 LYS A 67 0.280 14.245 4.006 1.00 63.20 H new ATOM 1063 N LEU A 68 -1.800 8.237 -0.855 1.00 1.15 N ATOM 1064 CA LEU A 68 -2.786 7.739 -1.805 1.00 1.45 C ATOM 1065 C LEU A 68 -3.829 8.839 -1.958 1.00 45.02 C ATOM 1066 O LEU A 68 -4.287 9.370 -0.950 1.00 53.04 O ATOM 1067 CB LEU A 68 -3.474 6.492 -1.216 1.00 32.54 C ATOM 1068 CG LEU A 68 -2.726 5.143 -1.205 1.00 62.52 C ATOM 1069 CD1 LEU A 68 -1.969 4.924 -2.517 1.00 3.45 C ATOM 1070 CD2 LEU A 68 -1.784 4.936 -0.007 1.00 44.14 C ATOM 0 H LEU A 68 -2.175 8.309 0.091 1.00 1.15 H new ATOM 0 HA LEU A 68 -2.323 7.479 -2.757 1.00 1.45 H new ATOM 0 HB2 LEU A 68 -3.743 6.724 -0.186 1.00 32.54 H new ATOM 0 HB3 LEU A 68 -4.405 6.344 -1.763 1.00 32.54 H new ATOM 0 HG LEU A 68 -3.509 4.392 -1.098 1.00 62.52 H new ATOM 0 HD11 LEU A 68 -1.451 3.966 -2.482 1.00 3.45 H new ATOM 0 HD12 LEU A 68 -2.674 4.925 -3.348 1.00 3.45 H new ATOM 0 HD13 LEU A 68 -1.243 5.725 -2.656 1.00 3.45 H new ATOM 0 HD21 LEU A 68 -1.304 3.961 -0.086 1.00 44.14 H new ATOM 0 HD22 LEU A 68 -1.023 5.716 -0.004 1.00 44.14 H new ATOM 0 HD23 LEU A 68 -2.357 4.984 0.919 1.00 44.14 H new ATOM 1082 N TYR A 69 -4.224 9.186 -3.179 1.00 72.30 N ATOM 1083 CA TYR A 69 -5.120 10.317 -3.438 1.00 73.13 C ATOM 1084 C TYR A 69 -6.481 9.850 -3.969 1.00 50.32 C ATOM 1085 O TYR A 69 -6.559 8.877 -4.722 1.00 3.21 O ATOM 1086 CB TYR A 69 -4.440 11.267 -4.424 1.00 61.51 C ATOM 1087 CG TYR A 69 -3.323 12.127 -3.845 1.00 25.51 C ATOM 1088 CD1 TYR A 69 -2.035 11.625 -3.547 1.00 32.11 C ATOM 1089 CD2 TYR A 69 -3.566 13.497 -3.691 1.00 22.14 C ATOM 1090 CE1 TYR A 69 -0.990 12.512 -3.202 1.00 14.34 C ATOM 1091 CE2 TYR A 69 -2.566 14.381 -3.273 1.00 13.14 C ATOM 1092 CZ TYR A 69 -1.253 13.904 -3.079 1.00 61.11 C ATOM 1093 OH TYR A 69 -0.262 14.804 -2.826 1.00 62.12 O ATOM 0 H TYR A 69 -3.933 8.691 -4.022 1.00 72.30 H new ATOM 0 HA TYR A 69 -5.314 10.840 -2.501 1.00 73.13 H new ATOM 0 HB2 TYR A 69 -4.032 10.678 -5.246 1.00 61.51 H new ATOM 0 HB3 TYR A 69 -5.198 11.925 -4.849 1.00 61.51 H new ATOM 0 HD1 TYR A 69 -1.849 10.562 -3.583 1.00 32.11 H new ATOM 0 HD2 TYR A 69 -4.553 13.882 -3.901 1.00 22.14 H new ATOM 0 HE1 TYR A 69 0.007 12.133 -3.032 1.00 14.34 H new ATOM 0 HE2 TYR A 69 -2.798 15.422 -3.100 1.00 13.14 H new ATOM 0 HH TYR A 69 -0.643 15.706 -2.779 1.00 62.12 H new ATOM 1103 N ASP A 70 -7.554 10.530 -3.579 1.00 34.23 N ATOM 1104 CA ASP A 70 -8.944 10.293 -3.980 1.00 71.30 C ATOM 1105 C ASP A 70 -9.372 11.278 -5.072 1.00 24.11 C ATOM 1106 O ASP A 70 -8.530 11.915 -5.710 1.00 72.41 O ATOM 1107 CB ASP A 70 -9.875 10.451 -2.771 1.00 41.10 C ATOM 1108 CG ASP A 70 -9.940 11.906 -2.321 1.00 32.53 C ATOM 1109 OD1 ASP A 70 -8.859 12.463 -2.035 1.00 70.22 O ATOM 1110 OD2 ASP A 70 -11.055 12.463 -2.415 1.00 11.33 O ATOM 0 H ASP A 70 -7.475 11.314 -2.931 1.00 34.23 H new ATOM 0 HA ASP A 70 -9.013 9.278 -4.370 1.00 71.30 H new ATOM 0 HB2 ASP A 70 -10.875 10.101 -3.028 1.00 41.10 H new ATOM 0 HB3 ASP A 70 -9.521 9.828 -1.950 1.00 41.10 H new ATOM 1115 N LYS A 71 -10.685 11.373 -5.309 1.00 34.32 N ATOM 1116 CA LYS A 71 -11.252 12.238 -6.354 1.00 1.42 C ATOM 1117 C LYS A 71 -11.142 13.725 -6.012 1.00 5.04 C ATOM 1118 O LYS A 71 -11.129 14.554 -6.922 1.00 54.34 O ATOM 1119 CB LYS A 71 -12.734 11.943 -6.646 1.00 22.05 C ATOM 1120 CG LYS A 71 -13.111 10.483 -6.935 1.00 23.32 C ATOM 1121 CD LYS A 71 -13.640 9.756 -5.692 1.00 34.15 C ATOM 1122 CE LYS A 71 -14.521 8.557 -6.042 1.00 14.25 C ATOM 1123 NZ LYS A 71 -13.782 7.332 -6.394 1.00 4.42 N ATOM 0 H LYS A 71 -11.386 10.853 -4.782 1.00 34.32 H new ATOM 0 HA LYS A 71 -10.653 12.011 -7.236 1.00 1.42 H new ATOM 0 HB2 LYS A 71 -13.321 12.282 -5.792 1.00 22.05 H new ATOM 0 HB3 LYS A 71 -13.037 12.547 -7.501 1.00 22.05 H new ATOM 0 HG2 LYS A 71 -13.868 10.455 -7.718 1.00 23.32 H new ATOM 0 HG3 LYS A 71 -12.238 9.954 -7.317 1.00 23.32 H new ATOM 0 HD2 LYS A 71 -12.798 9.419 -5.087 1.00 34.15 H new ATOM 0 HD3 LYS A 71 -14.211 10.456 -5.082 1.00 34.15 H new ATOM 0 HE2 LYS A 71 -15.172 8.342 -5.194 1.00 14.25 H new ATOM 0 HE3 LYS A 71 -15.166 8.829 -6.878 1.00 14.25 H new ATOM 0 HZ1 LYS A 71 -14.456 6.572 -6.616 1.00 4.42 H new ATOM 0 HZ2 LYS A 71 -13.181 7.515 -7.223 1.00 4.42 H new ATOM 0 HZ3 LYS A 71 -13.187 7.043 -5.592 1.00 4.42 H new ATOM 1137 N GLU A 72 -11.098 14.090 -4.732 1.00 71.31 N ATOM 1138 CA GLU A 72 -10.841 15.462 -4.296 1.00 51.42 C ATOM 1139 C GLU A 72 -9.335 15.708 -4.171 1.00 41.21 C ATOM 1140 O GLU A 72 -8.918 16.791 -3.763 1.00 31.45 O ATOM 1141 CB GLU A 72 -11.526 15.727 -2.953 1.00 61.44 C ATOM 1142 CG GLU A 72 -13.050 15.616 -3.020 1.00 71.32 C ATOM 1143 CD GLU A 72 -13.726 15.932 -1.686 1.00 13.32 C ATOM 1144 OE1 GLU A 72 -13.061 16.147 -0.641 1.00 53.34 O ATOM 1145 OE2 GLU A 72 -14.977 15.976 -1.673 1.00 11.23 O ATOM 0 H GLU A 72 -11.241 13.437 -3.962 1.00 71.31 H new ATOM 0 HA GLU A 72 -11.248 16.144 -5.042 1.00 51.42 H new ATOM 0 HB2 GLU A 72 -11.149 15.019 -2.215 1.00 61.44 H new ATOM 0 HB3 GLU A 72 -11.256 16.724 -2.606 1.00 61.44 H new ATOM 0 HG2 GLU A 72 -13.426 16.297 -3.783 1.00 71.32 H new ATOM 0 HG3 GLU A 72 -13.323 14.607 -3.331 1.00 71.32 H new ATOM 1152 N GLU A 73 -8.522 14.706 -4.516 1.00 12.22 N ATOM 1153 CA GLU A 73 -7.078 14.709 -4.445 1.00 33.11 C ATOM 1154 C GLU A 73 -6.561 15.156 -3.067 1.00 2.32 C ATOM 1155 O GLU A 73 -5.606 15.930 -3.003 1.00 13.12 O ATOM 1156 CB GLU A 73 -6.481 15.507 -5.625 1.00 70.43 C ATOM 1157 CG GLU A 73 -6.890 14.972 -7.018 1.00 3.55 C ATOM 1158 CD GLU A 73 -5.972 15.457 -8.153 1.00 11.23 C ATOM 1159 OE1 GLU A 73 -4.788 15.768 -7.899 1.00 12.51 O ATOM 1160 OE2 GLU A 73 -6.355 15.365 -9.345 1.00 32.34 O ATOM 0 H GLU A 73 -8.887 13.823 -4.872 1.00 12.22 H new ATOM 0 HA GLU A 73 -6.726 13.683 -4.550 1.00 33.11 H new ATOM 0 HB2 GLU A 73 -6.793 16.548 -5.541 1.00 70.43 H new ATOM 0 HB3 GLU A 73 -5.394 15.493 -5.547 1.00 70.43 H new ATOM 0 HG2 GLU A 73 -6.884 13.882 -6.996 1.00 3.55 H new ATOM 0 HG3 GLU A 73 -7.913 15.281 -7.231 1.00 3.55 H new ATOM 1167 N HIS A 74 -7.125 14.650 -1.965 1.00 22.43 N ATOM 1168 CA HIS A 74 -6.801 15.098 -0.612 1.00 5.33 C ATOM 1169 C HIS A 74 -5.959 14.110 0.211 1.00 30.24 C ATOM 1170 O HIS A 74 -6.072 14.080 1.437 1.00 32.44 O ATOM 1171 CB HIS A 74 -8.057 15.613 0.111 1.00 54.20 C ATOM 1172 CG HIS A 74 -9.174 14.647 0.475 1.00 73.41 C ATOM 1173 ND1 HIS A 74 -10.514 14.873 0.237 1.00 2.22 N ATOM 1174 CD2 HIS A 74 -9.099 13.494 1.221 1.00 63.41 C ATOM 1175 CE1 HIS A 74 -11.217 13.866 0.775 1.00 71.14 C ATOM 1176 NE2 HIS A 74 -10.406 13.020 1.437 1.00 25.24 N ATOM 0 H HIS A 74 -7.827 13.910 -1.991 1.00 22.43 H new ATOM 0 HA HIS A 74 -6.124 15.946 -0.722 1.00 5.33 H new ATOM 0 HB2 HIS A 74 -7.727 16.090 1.034 1.00 54.20 H new ATOM 0 HB3 HIS A 74 -8.493 16.393 -0.513 1.00 54.20 H new ATOM 0 HD1 HIS A 74 -10.904 15.671 -0.264 1.00 2.22 H new ATOM 0 HD2 HIS A 74 -8.192 13.031 1.580 1.00 63.41 H new ATOM 0 HE1 HIS A 74 -12.287 13.750 0.689 1.00 71.14 H new ATOM 1184 N CYS A 75 -5.094 13.336 -0.452 1.00 71.42 N ATOM 1185 CA CYS A 75 -4.041 12.511 0.142 1.00 74.32 C ATOM 1186 C CYS A 75 -4.551 11.738 1.379 1.00 1.21 C ATOM 1187 O CYS A 75 -4.079 11.925 2.500 1.00 70.33 O ATOM 1188 CB CYS A 75 -2.742 13.308 0.379 1.00 3.11 C ATOM 1189 SG CYS A 75 -2.960 14.886 1.256 1.00 3.13 S ATOM 0 H CYS A 75 -5.112 13.265 -1.469 1.00 71.42 H new ATOM 0 HA CYS A 75 -3.767 11.744 -0.583 1.00 74.32 H new ATOM 0 HB2 CYS A 75 -2.050 12.686 0.947 1.00 3.11 H new ATOM 0 HB3 CYS A 75 -2.274 13.507 -0.585 1.00 3.11 H new ATOM 0 HG CYS A 75 -4.164 14.950 1.742 1.00 3.13 H new ATOM 1195 N THR A 76 -5.466 10.805 1.115 1.00 53.40 N ATOM 1196 CA THR A 76 -6.325 10.053 2.008 1.00 11.02 C ATOM 1197 C THR A 76 -5.563 9.535 3.235 1.00 63.33 C ATOM 1198 O THR A 76 -5.802 9.980 4.354 1.00 63.42 O ATOM 1199 CB THR A 76 -6.983 8.921 1.182 1.00 13.25 C ATOM 1200 OG1 THR A 76 -6.026 8.032 0.592 1.00 54.24 O ATOM 1201 CG2 THR A 76 -7.782 9.455 -0.008 1.00 45.31 C ATOM 0 H THR A 76 -5.637 10.531 0.148 1.00 53.40 H new ATOM 0 HA THR A 76 -7.103 10.697 2.418 1.00 11.02 H new ATOM 0 HB THR A 76 -7.615 8.411 1.909 1.00 13.25 H new ATOM 0 HG1 THR A 76 -5.540 8.500 -0.119 1.00 54.24 H new ATOM 0 HG21 THR A 76 -8.223 8.621 -0.554 1.00 45.31 H new ATOM 0 HG22 THR A 76 -8.574 10.113 0.351 1.00 45.31 H new ATOM 0 HG23 THR A 76 -7.120 10.013 -0.670 1.00 45.31 H new ATOM 1209 N GLU A 77 -4.617 8.635 2.992 1.00 61.21 N ATOM 1210 CA GLU A 77 -3.780 7.983 3.966 1.00 51.11 C ATOM 1211 C GLU A 77 -2.336 8.111 3.531 1.00 61.32 C ATOM 1212 O GLU A 77 -1.998 8.393 2.373 1.00 52.34 O ATOM 1213 CB GLU A 77 -4.135 6.498 4.049 1.00 32.42 C ATOM 1214 CG GLU A 77 -5.473 6.090 4.706 1.00 12.14 C ATOM 1215 CD GLU A 77 -5.884 6.766 6.025 1.00 70.23 C ATOM 1216 OE1 GLU A 77 -5.141 7.579 6.607 1.00 43.31 O ATOM 1217 OE2 GLU A 77 -7.001 6.442 6.501 1.00 65.22 O ATOM 0 H GLU A 77 -4.408 8.328 2.042 1.00 61.21 H new ATOM 0 HA GLU A 77 -3.931 8.448 4.940 1.00 51.11 H new ATOM 0 HB2 GLU A 77 -4.130 6.100 3.034 1.00 32.42 H new ATOM 0 HB3 GLU A 77 -3.334 5.997 4.592 1.00 32.42 H new ATOM 0 HG2 GLU A 77 -6.266 6.271 3.981 1.00 12.14 H new ATOM 0 HG3 GLU A 77 -5.441 5.015 4.882 1.00 12.14 H new ATOM 1224 N GLN A 78 -1.459 7.839 4.488 1.00 34.43 N ATOM 1225 CA GLN A 78 -0.045 8.121 4.455 1.00 63.51 C ATOM 1226 C GLN A 78 0.649 6.988 5.221 1.00 34.32 C ATOM 1227 O GLN A 78 0.136 6.599 6.271 1.00 13.23 O ATOM 1228 CB GLN A 78 0.156 9.501 5.123 1.00 30.23 C ATOM 1229 CG GLN A 78 -0.285 9.552 6.598 1.00 74.22 C ATOM 1230 CD GLN A 78 -0.381 10.966 7.144 1.00 13.05 C ATOM 1231 OE1 GLN A 78 0.616 11.623 7.431 1.00 2.33 O ATOM 1232 NE2 GLN A 78 -1.586 11.454 7.358 1.00 73.44 N ATOM 0 H GLN A 78 -1.742 7.388 5.358 1.00 34.43 H new ATOM 0 HA GLN A 78 0.374 8.165 3.450 1.00 63.51 H new ATOM 0 HB2 GLN A 78 1.209 9.774 5.060 1.00 30.23 H new ATOM 0 HB3 GLN A 78 -0.402 10.250 4.561 1.00 30.23 H new ATOM 0 HG2 GLN A 78 -1.255 9.064 6.698 1.00 74.22 H new ATOM 0 HG3 GLN A 78 0.422 8.983 7.202 1.00 74.22 H new ATOM 0 HE21 GLN A 78 -2.410 10.903 7.117 1.00 73.44 H new ATOM 0 HE22 GLN A 78 -1.695 12.383 7.764 1.00 73.44 H new ATOM 1241 N TYR A 79 1.801 6.487 4.766 1.00 72.20 N ATOM 1242 CA TYR A 79 2.552 5.483 5.519 1.00 70.50 C ATOM 1243 C TYR A 79 4.050 5.800 5.470 1.00 3.22 C ATOM 1244 O TYR A 79 4.573 6.132 4.400 1.00 25.24 O ATOM 1245 CB TYR A 79 2.268 4.077 4.963 1.00 50.42 C ATOM 1246 CG TYR A 79 0.805 3.673 4.909 1.00 61.22 C ATOM 1247 CD1 TYR A 79 0.138 3.186 6.048 1.00 23.32 C ATOM 1248 CD2 TYR A 79 0.099 3.817 3.701 1.00 10.25 C ATOM 1249 CE1 TYR A 79 -1.245 2.928 5.988 1.00 64.30 C ATOM 1250 CE2 TYR A 79 -1.288 3.610 3.648 1.00 3.22 C ATOM 1251 CZ TYR A 79 -1.974 3.218 4.812 1.00 34.53 C ATOM 1252 OH TYR A 79 -3.324 3.098 4.791 1.00 72.34 O ATOM 0 H TYR A 79 2.231 6.760 3.883 1.00 72.20 H new ATOM 0 HA TYR A 79 2.231 5.507 6.560 1.00 70.50 H new ATOM 0 HB2 TYR A 79 2.681 4.014 3.956 1.00 50.42 H new ATOM 0 HB3 TYR A 79 2.804 3.350 5.573 1.00 50.42 H new ATOM 0 HD1 TYR A 79 0.684 3.011 6.963 1.00 23.32 H new ATOM 0 HD2 TYR A 79 0.632 4.091 2.802 1.00 10.25 H new ATOM 0 HE1 TYR A 79 -1.751 2.507 6.844 1.00 64.30 H new ATOM 0 HE2 TYR A 79 -1.824 3.750 2.721 1.00 3.22 H new ATOM 0 HH TYR A 79 -3.716 3.697 5.460 1.00 72.34 H new ATOM 1262 N HIS A 80 4.774 5.639 6.584 1.00 24.14 N ATOM 1263 CA HIS A 80 6.237 5.812 6.611 1.00 42.20 C ATOM 1264 C HIS A 80 6.897 4.539 6.069 1.00 52.03 C ATOM 1265 O HIS A 80 6.449 3.426 6.372 1.00 45.43 O ATOM 1266 CB HIS A 80 6.746 6.165 8.020 1.00 10.41 C ATOM 1267 CG HIS A 80 7.661 7.368 8.105 1.00 5.41 C ATOM 1268 ND1 HIS A 80 7.723 8.465 7.267 1.00 70.23 N ATOM 1269 CD2 HIS A 80 8.612 7.547 9.068 1.00 23.44 C ATOM 1270 CE1 HIS A 80 8.698 9.280 7.710 1.00 24.51 C ATOM 1271 NE2 HIS A 80 9.286 8.744 8.798 1.00 44.20 N ATOM 0 H HIS A 80 4.370 5.387 7.486 1.00 24.14 H new ATOM 0 HA HIS A 80 6.508 6.654 5.974 1.00 42.20 H new ATOM 0 HB2 HIS A 80 5.884 6.341 8.664 1.00 10.41 H new ATOM 0 HB3 HIS A 80 7.274 5.301 8.423 1.00 10.41 H new ATOM 0 HD2 HIS A 80 8.810 6.881 9.895 1.00 23.44 H new ATOM 0 HE1 HIS A 80 8.969 10.224 7.260 1.00 24.51 H new ATOM 0 HE2 HIS A 80 10.069 9.134 9.322 1.00 44.20 H new ATOM 1279 N ILE A 81 7.879 4.670 5.178 1.00 33.54 N ATOM 1280 CA ILE A 81 8.423 3.578 4.376 1.00 62.53 C ATOM 1281 C ILE A 81 9.630 2.994 5.114 1.00 51.14 C ATOM 1282 O ILE A 81 10.768 3.405 4.870 1.00 73.30 O ATOM 1283 CB ILE A 81 8.754 4.067 2.939 1.00 45.02 C ATOM 1284 CG1 ILE A 81 7.501 4.602 2.208 1.00 61.43 C ATOM 1285 CG2 ILE A 81 9.417 2.918 2.153 1.00 5.32 C ATOM 1286 CD1 ILE A 81 7.791 5.287 0.868 1.00 25.43 C ATOM 0 H ILE A 81 8.330 5.565 4.990 1.00 33.54 H new ATOM 0 HA ILE A 81 7.688 2.782 4.252 1.00 62.53 H new ATOM 0 HB ILE A 81 9.449 4.904 3.006 1.00 45.02 H new ATOM 0 HG12 ILE A 81 6.814 3.773 2.037 1.00 61.43 H new ATOM 0 HG13 ILE A 81 6.990 5.310 2.860 1.00 61.43 H new ATOM 0 HG21 ILE A 81 9.652 3.256 1.143 1.00 5.32 H new ATOM 0 HG22 ILE A 81 10.335 2.615 2.657 1.00 5.32 H new ATOM 0 HG23 ILE A 81 8.734 2.070 2.102 1.00 5.32 H new ATOM 0 HD11 ILE A 81 6.856 5.631 0.425 1.00 25.43 H new ATOM 0 HD12 ILE A 81 8.451 6.139 1.030 1.00 25.43 H new ATOM 0 HD13 ILE A 81 8.272 4.579 0.194 1.00 25.43 H new ATOM 1298 N LEU A 82 9.402 2.011 5.989 1.00 22.23 N ATOM 1299 CA LEU A 82 10.476 1.400 6.777 1.00 33.52 C ATOM 1300 C LEU A 82 11.357 0.504 5.911 1.00 24.53 C ATOM 1301 O LEU A 82 12.582 0.644 5.936 1.00 70.53 O ATOM 1302 CB LEU A 82 9.926 0.594 7.960 1.00 1.24 C ATOM 1303 CG LEU A 82 8.962 1.362 8.876 1.00 74.53 C ATOM 1304 CD1 LEU A 82 8.583 0.457 10.053 1.00 2.11 C ATOM 1305 CD2 LEU A 82 9.541 2.677 9.399 1.00 61.14 C ATOM 0 H LEU A 82 8.478 1.619 6.170 1.00 22.23 H new ATOM 0 HA LEU A 82 11.080 2.218 7.169 1.00 33.52 H new ATOM 0 HB2 LEU A 82 9.412 -0.286 7.573 1.00 1.24 H new ATOM 0 HB3 LEU A 82 10.764 0.237 8.558 1.00 1.24 H new ATOM 0 HG LEU A 82 8.087 1.628 8.284 1.00 74.53 H new ATOM 0 HD11 LEU A 82 7.898 0.988 10.714 1.00 2.11 H new ATOM 0 HD12 LEU A 82 8.099 -0.445 9.678 1.00 2.11 H new ATOM 0 HD13 LEU A 82 9.482 0.183 10.606 1.00 2.11 H new ATOM 0 HD21 LEU A 82 8.808 3.168 10.039 1.00 61.14 H new ATOM 0 HD22 LEU A 82 10.445 2.474 9.972 1.00 61.14 H new ATOM 0 HD23 LEU A 82 9.783 3.328 8.559 1.00 61.14 H new ATOM 1317 N LYS A 83 10.752 -0.384 5.110 1.00 50.21 N ATOM 1318 CA LYS A 83 11.432 -1.119 4.043 1.00 44.13 C ATOM 1319 C LYS A 83 10.447 -1.496 2.952 1.00 72.43 C ATOM 1320 O LYS A 83 9.238 -1.599 3.182 1.00 3.23 O ATOM 1321 CB LYS A 83 12.145 -2.387 4.561 1.00 70.31 C ATOM 1322 CG LYS A 83 13.620 -2.149 4.936 1.00 51.13 C ATOM 1323 CD LYS A 83 14.532 -3.307 4.505 1.00 72.53 C ATOM 1324 CE LYS A 83 14.947 -3.199 3.026 1.00 45.02 C ATOM 1325 NZ LYS A 83 15.857 -4.299 2.629 1.00 11.04 N ATOM 0 H LYS A 83 9.761 -0.613 5.189 1.00 50.21 H new ATOM 0 HA LYS A 83 12.196 -0.455 3.638 1.00 44.13 H new ATOM 0 HB2 LYS A 83 11.612 -2.764 5.434 1.00 70.31 H new ATOM 0 HB3 LYS A 83 12.093 -3.162 3.797 1.00 70.31 H new ATOM 0 HG2 LYS A 83 13.965 -1.226 4.470 1.00 51.13 H new ATOM 0 HG3 LYS A 83 13.699 -2.011 6.014 1.00 51.13 H new ATOM 0 HD2 LYS A 83 15.424 -3.318 5.131 1.00 72.53 H new ATOM 0 HD3 LYS A 83 14.017 -4.254 4.668 1.00 72.53 H new ATOM 0 HE2 LYS A 83 14.057 -3.218 2.396 1.00 45.02 H new ATOM 0 HE3 LYS A 83 15.438 -2.241 2.855 1.00 45.02 H new ATOM 0 HZ1 LYS A 83 16.060 -4.231 1.611 1.00 11.04 H new ATOM 0 HZ2 LYS A 83 16.745 -4.225 3.165 1.00 11.04 H new ATOM 0 HZ3 LYS A 83 15.405 -5.214 2.831 1.00 11.04 H new ATOM 1339 N LEU A 84 11.013 -1.791 1.787 1.00 52.14 N ATOM 1340 CA LEU A 84 10.427 -2.414 0.614 1.00 42.10 C ATOM 1341 C LEU A 84 11.519 -3.373 0.133 1.00 70.21 C ATOM 1342 O LEU A 84 12.690 -2.992 0.171 1.00 52.02 O ATOM 1343 CB LEU A 84 10.125 -1.330 -0.442 1.00 4.21 C ATOM 1344 CG LEU A 84 8.952 -1.656 -1.381 1.00 14.31 C ATOM 1345 CD1 LEU A 84 8.717 -0.500 -2.353 1.00 61.14 C ATOM 1346 CD2 LEU A 84 9.173 -2.924 -2.194 1.00 64.42 C ATOM 0 H LEU A 84 11.997 -1.575 1.629 1.00 52.14 H new ATOM 0 HA LEU A 84 9.487 -2.930 0.808 1.00 42.10 H new ATOM 0 HB2 LEU A 84 9.912 -0.392 0.071 1.00 4.21 H new ATOM 0 HB3 LEU A 84 11.020 -1.169 -1.043 1.00 4.21 H new ATOM 0 HG LEU A 84 8.085 -1.812 -0.739 1.00 14.31 H new ATOM 0 HD11 LEU A 84 7.884 -0.743 -3.013 1.00 61.14 H new ATOM 0 HD12 LEU A 84 8.484 0.405 -1.792 1.00 61.14 H new ATOM 0 HD13 LEU A 84 9.615 -0.337 -2.948 1.00 61.14 H new ATOM 0 HD21 LEU A 84 8.310 -3.099 -2.837 1.00 64.42 H new ATOM 0 HD22 LEU A 84 10.066 -2.811 -2.809 1.00 64.42 H new ATOM 0 HD23 LEU A 84 9.301 -3.771 -1.520 1.00 64.42 H new ATOM 1358 N THR A 85 11.148 -4.582 -0.265 1.00 64.50 N ATOM 1359 CA THR A 85 11.991 -5.629 -0.835 1.00 61.42 C ATOM 1360 C THR A 85 11.168 -6.305 -1.951 1.00 42.24 C ATOM 1361 O THR A 85 9.996 -5.954 -2.144 1.00 23.51 O ATOM 1362 CB THR A 85 12.370 -6.636 0.270 1.00 45.13 C ATOM 1363 OG1 THR A 85 11.208 -7.249 0.746 1.00 44.12 O ATOM 1364 CG2 THR A 85 13.043 -6.060 1.517 1.00 24.35 C ATOM 0 H THR A 85 10.176 -4.881 -0.193 1.00 64.50 H new ATOM 0 HA THR A 85 12.918 -5.228 -1.246 1.00 61.42 H new ATOM 0 HB THR A 85 13.083 -7.297 -0.222 1.00 45.13 H new ATOM 0 HG1 THR A 85 10.585 -6.564 1.067 1.00 44.12 H new ATOM 0 HG21 THR A 85 13.260 -6.866 2.218 1.00 24.35 H new ATOM 0 HG22 THR A 85 13.972 -5.566 1.234 1.00 24.35 H new ATOM 0 HG23 THR A 85 12.377 -5.337 1.989 1.00 24.35 H new ATOM 1372 N SER A 86 11.705 -7.315 -2.639 1.00 32.14 N ATOM 1373 CA SER A 86 10.988 -8.048 -3.679 1.00 4.11 C ATOM 1374 C SER A 86 9.602 -8.515 -3.264 1.00 24.55 C ATOM 1375 O SER A 86 8.690 -8.394 -4.083 1.00 14.22 O ATOM 1376 CB SER A 86 11.824 -9.230 -4.168 1.00 73.31 C ATOM 1377 OG SER A 86 12.595 -8.802 -5.271 1.00 4.42 O ATOM 0 H SER A 86 12.657 -7.648 -2.487 1.00 32.14 H new ATOM 0 HA SER A 86 10.833 -7.340 -4.493 1.00 4.11 H new ATOM 0 HB2 SER A 86 12.472 -9.593 -3.370 1.00 73.31 H new ATOM 0 HB3 SER A 86 11.177 -10.059 -4.456 1.00 73.31 H new ATOM 0 HG SER A 86 13.140 -9.548 -5.598 1.00 4.42 H new ATOM 1383 N LYS A 87 9.441 -9.052 -2.056 1.00 12.41 N ATOM 1384 CA LYS A 87 8.171 -9.489 -1.484 1.00 73.30 C ATOM 1385 C LYS A 87 8.346 -9.422 0.036 1.00 74.30 C ATOM 1386 O LYS A 87 8.326 -10.433 0.734 1.00 54.24 O ATOM 1387 CB LYS A 87 7.758 -10.854 -2.062 1.00 34.23 C ATOM 1388 CG LYS A 87 8.710 -12.044 -1.879 1.00 22.42 C ATOM 1389 CD LYS A 87 7.905 -13.219 -1.304 1.00 22.21 C ATOM 1390 CE LYS A 87 8.735 -14.308 -0.641 1.00 45.14 C ATOM 1391 NZ LYS A 87 7.831 -15.327 -0.077 1.00 52.42 N ATOM 0 H LYS A 87 10.227 -9.200 -1.423 1.00 12.41 H new ATOM 0 HA LYS A 87 7.329 -8.849 -1.749 1.00 73.30 H new ATOM 0 HB2 LYS A 87 6.799 -11.125 -1.620 1.00 34.23 H new ATOM 0 HB3 LYS A 87 7.591 -10.725 -3.131 1.00 34.23 H new ATOM 0 HG2 LYS A 87 9.159 -12.322 -2.833 1.00 22.42 H new ATOM 0 HG3 LYS A 87 9.526 -11.778 -1.208 1.00 22.42 H new ATOM 0 HD2 LYS A 87 7.195 -12.830 -0.574 1.00 22.21 H new ATOM 0 HD3 LYS A 87 7.322 -13.667 -2.108 1.00 22.21 H new ATOM 0 HE2 LYS A 87 9.408 -14.763 -1.368 1.00 45.14 H new ATOM 0 HE3 LYS A 87 9.357 -13.881 0.145 1.00 45.14 H new ATOM 0 HZ1 LYS A 87 8.392 -16.075 0.378 1.00 52.42 H new ATOM 0 HZ2 LYS A 87 7.207 -14.885 0.628 1.00 52.42 H new ATOM 0 HZ3 LYS A 87 7.256 -15.740 -0.838 1.00 52.42 H new ATOM 1405 N GLU A 88 8.498 -8.196 0.546 1.00 70.32 N ATOM 1406 CA GLU A 88 8.264 -7.819 1.940 1.00 53.30 C ATOM 1407 C GLU A 88 8.212 -6.284 1.993 1.00 65.31 C ATOM 1408 O GLU A 88 9.133 -5.633 1.490 1.00 74.14 O ATOM 1409 CB GLU A 88 9.373 -8.370 2.862 1.00 33.22 C ATOM 1410 CG GLU A 88 8.790 -8.929 4.156 1.00 34.45 C ATOM 1411 CD GLU A 88 9.879 -9.615 4.980 1.00 64.42 C ATOM 1412 OE1 GLU A 88 10.710 -8.905 5.597 1.00 25.52 O ATOM 1413 OE2 GLU A 88 9.910 -10.869 5.003 1.00 33.23 O ATOM 0 H GLU A 88 8.800 -7.408 -0.026 1.00 70.32 H new ATOM 0 HA GLU A 88 7.326 -8.246 2.297 1.00 53.30 H new ATOM 0 HB2 GLU A 88 9.926 -9.152 2.342 1.00 33.22 H new ATOM 0 HB3 GLU A 88 10.084 -7.577 3.094 1.00 33.22 H new ATOM 0 HG2 GLU A 88 8.339 -8.124 4.736 1.00 34.45 H new ATOM 0 HG3 GLU A 88 7.996 -9.640 3.927 1.00 34.45 H new ATOM 1420 N MET A 89 7.157 -5.676 2.549 1.00 12.41 N ATOM 1421 CA MET A 89 7.010 -4.216 2.589 1.00 70.21 C ATOM 1422 C MET A 89 6.383 -3.761 3.909 1.00 62.54 C ATOM 1423 O MET A 89 5.300 -4.215 4.281 1.00 44.01 O ATOM 1424 CB MET A 89 6.211 -3.775 1.357 1.00 41.20 C ATOM 1425 CG MET A 89 5.895 -2.286 1.319 1.00 61.12 C ATOM 1426 SD MET A 89 5.219 -1.723 -0.268 1.00 62.30 S ATOM 1427 CE MET A 89 3.467 -2.119 -0.058 1.00 11.14 C ATOM 0 H MET A 89 6.384 -6.180 2.982 1.00 12.41 H new ATOM 0 HA MET A 89 7.987 -3.734 2.552 1.00 70.21 H new ATOM 0 HB2 MET A 89 6.772 -4.039 0.460 1.00 41.20 H new ATOM 0 HB3 MET A 89 5.276 -4.334 1.325 1.00 41.20 H new ATOM 0 HG2 MET A 89 5.182 -2.055 2.110 1.00 61.12 H new ATOM 0 HG3 MET A 89 6.804 -1.725 1.536 1.00 61.12 H new ATOM 0 HE1 MET A 89 2.913 -1.798 -0.940 1.00 11.14 H new ATOM 0 HE2 MET A 89 3.350 -3.195 0.072 1.00 11.14 H new ATOM 0 HE3 MET A 89 3.080 -1.603 0.821 1.00 11.14 H new ATOM 1437 N LYS A 90 7.066 -2.869 4.631 1.00 64.13 N ATOM 1438 CA LYS A 90 6.712 -2.442 5.986 1.00 65.21 C ATOM 1439 C LYS A 90 6.295 -0.974 5.957 1.00 24.25 C ATOM 1440 O LYS A 90 7.138 -0.081 6.051 1.00 1.34 O ATOM 1441 CB LYS A 90 7.874 -2.733 6.954 1.00 24.43 C ATOM 1442 CG LYS A 90 8.071 -4.246 7.200 1.00 21.33 C ATOM 1443 CD LYS A 90 9.425 -4.775 6.696 1.00 4.11 C ATOM 1444 CE LYS A 90 10.560 -4.375 7.649 1.00 65.50 C ATOM 1445 NZ LYS A 90 10.737 -5.331 8.760 1.00 64.54 N ATOM 0 H LYS A 90 7.906 -2.411 4.278 1.00 64.13 H new ATOM 0 HA LYS A 90 5.859 -3.009 6.359 1.00 65.21 H new ATOM 0 HB2 LYS A 90 8.794 -2.310 6.550 1.00 24.43 H new ATOM 0 HB3 LYS A 90 7.685 -2.235 7.905 1.00 24.43 H new ATOM 0 HG2 LYS A 90 7.985 -4.447 8.268 1.00 21.33 H new ATOM 0 HG3 LYS A 90 7.268 -4.794 6.707 1.00 21.33 H new ATOM 0 HD2 LYS A 90 9.385 -5.861 6.607 1.00 4.11 H new ATOM 0 HD3 LYS A 90 9.626 -4.381 5.700 1.00 4.11 H new ATOM 0 HE2 LYS A 90 11.491 -4.301 7.087 1.00 65.50 H new ATOM 0 HE3 LYS A 90 10.354 -3.385 8.057 1.00 65.50 H new ATOM 0 HZ1 LYS A 90 11.515 -5.012 9.372 1.00 64.54 H new ATOM 0 HZ2 LYS A 90 9.859 -5.384 9.316 1.00 64.54 H new ATOM 0 HZ3 LYS A 90 10.961 -6.271 8.376 1.00 64.54 H new ATOM 1459 N TRP A 91 5.002 -0.742 5.722 1.00 65.31 N ATOM 1460 CA TRP A 91 4.336 0.553 5.747 1.00 72.53 C ATOM 1461 C TRP A 91 3.910 0.828 7.191 1.00 4.33 C ATOM 1462 O TRP A 91 2.984 0.182 7.693 1.00 44.23 O ATOM 1463 CB TRP A 91 3.117 0.533 4.802 1.00 33.12 C ATOM 1464 CG TRP A 91 3.329 0.988 3.386 1.00 65.50 C ATOM 1465 CD1 TRP A 91 2.365 1.550 2.615 1.00 24.52 C ATOM 1466 CD2 TRP A 91 4.549 0.999 2.559 1.00 30.15 C ATOM 1467 NE1 TRP A 91 2.913 1.950 1.428 1.00 4.23 N ATOM 1468 CE2 TRP A 91 4.244 1.651 1.332 1.00 3.04 C ATOM 1469 CE3 TRP A 91 5.891 0.574 2.701 1.00 54.03 C ATOM 1470 CZ2 TRP A 91 5.185 1.877 0.318 1.00 11.02 C ATOM 1471 CZ3 TRP A 91 6.846 0.776 1.687 1.00 50.23 C ATOM 1472 CH2 TRP A 91 6.502 1.452 0.506 1.00 41.21 C ATOM 0 H TRP A 91 4.358 -1.500 5.496 1.00 65.31 H new ATOM 0 HA TRP A 91 5.004 1.343 5.404 1.00 72.53 H new ATOM 0 HB2 TRP A 91 2.730 -0.486 4.774 1.00 33.12 H new ATOM 0 HB3 TRP A 91 2.339 1.157 5.243 1.00 33.12 H new ATOM 0 HD1 TRP A 91 1.328 1.664 2.895 1.00 24.52 H new ATOM 0 HE1 TRP A 91 2.386 2.421 0.693 1.00 4.23 H new ATOM 0 HE3 TRP A 91 6.191 0.080 3.614 1.00 54.03 H new ATOM 0 HZ2 TRP A 91 4.895 2.373 -0.597 1.00 11.02 H new ATOM 0 HZ3 TRP A 91 7.853 0.408 1.819 1.00 50.23 H new ATOM 0 HH2 TRP A 91 7.249 1.642 -0.251 1.00 41.21 H new ATOM 1483 N GLU A 92 4.612 1.744 7.856 1.00 62.21 N ATOM 1484 CA GLU A 92 4.304 2.243 9.192 1.00 51.23 C ATOM 1485 C GLU A 92 3.107 3.194 9.145 1.00 44.41 C ATOM 1486 O GLU A 92 2.933 3.904 8.158 1.00 32.42 O ATOM 1487 CB GLU A 92 5.541 2.998 9.690 1.00 3.32 C ATOM 1488 CG GLU A 92 5.439 3.493 11.131 1.00 51.24 C ATOM 1489 CD GLU A 92 6.787 4.009 11.640 1.00 22.54 C ATOM 1490 OE1 GLU A 92 7.225 5.128 11.286 1.00 11.31 O ATOM 1491 OE2 GLU A 92 7.419 3.274 12.422 1.00 2.32 O ATOM 0 H GLU A 92 5.447 2.176 7.460 1.00 62.21 H new ATOM 0 HA GLU A 92 4.052 1.417 9.857 1.00 51.23 H new ATOM 0 HB2 GLU A 92 6.410 2.345 9.603 1.00 3.32 H new ATOM 0 HB3 GLU A 92 5.718 3.852 9.037 1.00 3.32 H new ATOM 0 HG2 GLU A 92 4.696 4.288 11.193 1.00 51.24 H new ATOM 0 HG3 GLU A 92 5.092 2.683 11.772 1.00 51.24 H new ATOM 1498 N ASN A 93 2.336 3.266 10.233 1.00 45.31 N ATOM 1499 CA ASN A 93 1.176 4.145 10.380 1.00 65.31 C ATOM 1500 C ASN A 93 1.520 5.635 10.199 1.00 13.41 C ATOM 1501 O ASN A 93 0.871 6.321 9.412 1.00 32.44 O ATOM 1502 CB ASN A 93 0.514 3.869 11.750 1.00 72.30 C ATOM 1503 CG ASN A 93 -0.221 5.087 12.294 1.00 10.31 C ATOM 1504 OD1 ASN A 93 0.383 5.909 12.968 1.00 71.12 O ATOM 1505 ND2 ASN A 93 -1.481 5.288 11.961 1.00 62.52 N ATOM 0 H ASN A 93 2.508 2.696 11.061 1.00 45.31 H new ATOM 0 HA ASN A 93 0.471 3.919 9.580 1.00 65.31 H new ATOM 0 HB2 ASN A 93 -0.186 3.039 11.652 1.00 72.30 H new ATOM 0 HB3 ASN A 93 1.277 3.560 12.464 1.00 72.30 H new ATOM 0 HD21 ASN A 93 -1.960 6.135 12.266 1.00 62.52 H new ATOM 0 HD22 ASN A 93 -1.976 4.596 11.398 1.00 62.52 H new ATOM 1512 N ALA A 94 2.515 6.137 10.935 1.00 33.23 N ATOM 1513 CA ALA A 94 2.885 7.538 11.167 1.00 45.01 C ATOM 1514 C ALA A 94 1.777 8.499 11.647 1.00 51.40 C ATOM 1515 O ALA A 94 2.103 9.377 12.446 1.00 2.03 O ATOM 1516 CB ALA A 94 3.603 8.148 9.959 1.00 64.20 C ATOM 0 H ALA A 94 3.146 5.510 11.434 1.00 33.23 H new ATOM 0 HA ALA A 94 3.558 7.449 12.020 1.00 45.01 H new ATOM 0 HB1 ALA A 94 3.859 9.186 10.174 1.00 64.20 H new ATOM 0 HB2 ALA A 94 4.513 7.585 9.754 1.00 64.20 H new ATOM 0 HB3 ALA A 94 2.948 8.108 9.088 1.00 64.20 H new ATOM 1522 N SER A 95 0.529 8.430 11.170 1.00 45.41 N ATOM 1523 CA SER A 95 -0.587 9.265 11.614 1.00 41.03 C ATOM 1524 C SER A 95 -1.584 8.402 12.394 1.00 23.55 C ATOM 1525 O SER A 95 -2.548 7.892 11.809 1.00 34.44 O ATOM 1526 CB SER A 95 -1.237 9.990 10.426 1.00 64.44 C ATOM 1527 OG SER A 95 -2.263 10.864 10.868 1.00 31.54 O ATOM 0 H SER A 95 0.262 7.769 10.441 1.00 45.41 H new ATOM 0 HA SER A 95 -0.221 10.044 12.282 1.00 41.03 H new ATOM 0 HB2 SER A 95 -0.481 10.556 9.882 1.00 64.44 H new ATOM 0 HB3 SER A 95 -1.650 9.259 9.731 1.00 64.44 H new ATOM 0 HG SER A 95 -2.785 11.171 10.098 1.00 31.54 H new ATOM 1533 N PRO A 96 -1.396 8.193 13.710 1.00 42.33 N ATOM 1534 CA PRO A 96 -2.381 7.501 14.532 1.00 24.52 C ATOM 1535 C PRO A 96 -3.652 8.347 14.682 1.00 65.50 C ATOM 1536 O PRO A 96 -4.697 7.830 15.078 1.00 1.32 O ATOM 1537 CB PRO A 96 -1.676 7.235 15.862 1.00 70.53 C ATOM 1538 CG PRO A 96 -0.682 8.388 15.978 1.00 32.35 C ATOM 1539 CD PRO A 96 -0.295 8.679 14.528 1.00 33.13 C ATOM 0 HA PRO A 96 -2.720 6.565 14.088 1.00 24.52 H new ATOM 0 HB2 PRO A 96 -2.380 7.227 16.694 1.00 70.53 H new ATOM 0 HB3 PRO A 96 -1.171 6.269 15.862 1.00 70.53 H new ATOM 0 HG2 PRO A 96 -1.132 9.259 16.455 1.00 32.35 H new ATOM 0 HG3 PRO A 96 0.186 8.110 16.576 1.00 32.35 H new ATOM 0 HD2 PRO A 96 -0.137 9.746 14.374 1.00 33.13 H new ATOM 0 HD3 PRO A 96 0.636 8.177 14.265 1.00 33.13 H new ATOM 1547 N LYS A 97 -3.588 9.630 14.319 1.00 13.24 N ATOM 1548 CA LYS A 97 -4.734 10.514 14.192 1.00 23.22 C ATOM 1549 C LYS A 97 -5.667 10.000 13.099 1.00 34.24 C ATOM 1550 O LYS A 97 -6.878 9.943 13.309 1.00 10.21 O ATOM 1551 CB LYS A 97 -4.257 11.945 13.887 1.00 74.30 C ATOM 1552 CG LYS A 97 -3.147 12.408 14.847 1.00 71.10 C ATOM 1553 CD LYS A 97 -2.981 13.929 14.829 1.00 31.24 C ATOM 1554 CE LYS A 97 -2.018 14.346 15.942 1.00 14.33 C ATOM 1555 NZ LYS A 97 -2.154 15.778 16.270 1.00 41.34 N ATOM 0 H LYS A 97 -2.705 10.091 14.100 1.00 13.24 H new ATOM 0 HA LYS A 97 -5.287 10.531 15.131 1.00 23.22 H new ATOM 0 HB2 LYS A 97 -3.891 11.993 12.862 1.00 74.30 H new ATOM 0 HB3 LYS A 97 -5.102 12.630 13.955 1.00 74.30 H new ATOM 0 HG2 LYS A 97 -3.381 12.080 15.860 1.00 71.10 H new ATOM 0 HG3 LYS A 97 -2.205 11.936 14.569 1.00 71.10 H new ATOM 0 HD2 LYS A 97 -2.598 14.253 13.861 1.00 31.24 H new ATOM 0 HD3 LYS A 97 -3.947 14.413 14.968 1.00 31.24 H new ATOM 0 HE2 LYS A 97 -2.210 13.748 16.833 1.00 14.33 H new ATOM 0 HE3 LYS A 97 -0.993 14.138 15.634 1.00 14.33 H new ATOM 0 HZ1 LYS A 97 -1.486 16.025 17.028 1.00 41.34 H new ATOM 0 HZ2 LYS A 97 -1.946 16.349 15.426 1.00 41.34 H new ATOM 0 HZ3 LYS A 97 -3.125 15.971 16.588 1.00 41.34 H new ATOM 1569 N ASP A 98 -5.128 9.581 11.954 1.00 61.14 N ATOM 1570 CA ASP A 98 -5.951 9.116 10.838 1.00 74.10 C ATOM 1571 C ASP A 98 -6.371 7.657 10.996 1.00 31.32 C ATOM 1572 O ASP A 98 -7.431 7.283 10.500 1.00 74.33 O ATOM 1573 CB ASP A 98 -5.251 9.340 9.504 1.00 4.12 C ATOM 1574 CG ASP A 98 -5.144 10.828 9.185 1.00 45.24 C ATOM 1575 OD1 ASP A 98 -6.170 11.548 9.239 1.00 32.25 O ATOM 1576 OD2 ASP A 98 -4.023 11.328 8.941 1.00 25.14 O ATOM 0 H ASP A 98 -4.124 9.554 11.775 1.00 61.14 H new ATOM 0 HA ASP A 98 -6.862 9.714 10.849 1.00 74.10 H new ATOM 0 HB2 ASP A 98 -4.255 8.898 9.533 1.00 4.12 H new ATOM 0 HB3 ASP A 98 -5.801 8.833 8.711 1.00 4.12 H new ATOM 1581 N GLY A 99 -5.599 6.842 11.724 1.00 73.41 N ATOM 1582 CA GLY A 99 -5.958 5.449 12.009 1.00 4.12 C ATOM 1583 C GLY A 99 -5.287 4.437 11.077 1.00 11.41 C ATOM 1584 O GLY A 99 -5.695 3.279 11.042 1.00 34.13 O ATOM 0 H GLY A 99 -4.709 7.130 12.131 1.00 73.41 H new ATOM 0 HA2 GLY A 99 -5.687 5.217 13.039 1.00 4.12 H new ATOM 0 HA3 GLY A 99 -7.040 5.339 11.932 1.00 4.12 H new ATOM 1588 N ASN A 100 -4.254 4.852 10.331 1.00 61.54 N ATOM 1589 CA ASN A 100 -3.479 3.956 9.462 1.00 71.44 C ATOM 1590 C ASN A 100 -2.942 2.763 10.245 1.00 3.23 C ATOM 1591 O ASN A 100 -2.773 2.875 11.456 1.00 74.22 O ATOM 1592 CB ASN A 100 -2.313 4.711 8.809 1.00 21.15 C ATOM 1593 CG ASN A 100 -2.887 5.509 7.677 1.00 33.41 C ATOM 1594 OD1 ASN A 100 -3.467 4.942 6.761 1.00 62.23 O ATOM 1595 ND2 ASN A 100 -2.863 6.815 7.810 1.00 50.02 N ATOM 0 H ASN A 100 -3.932 5.820 10.313 1.00 61.54 H new ATOM 0 HA ASN A 100 -4.148 3.590 8.683 1.00 71.44 H new ATOM 0 HB2 ASN A 100 -1.823 5.364 9.532 1.00 21.15 H new ATOM 0 HB3 ASN A 100 -1.558 4.014 8.446 1.00 21.15 H new ATOM 0 HD21 ASN A 100 -3.343 7.406 7.131 1.00 50.02 H new ATOM 0 HD22 ASN A 100 -2.365 7.239 8.593 1.00 50.02 H new ATOM 1602 N SER A 101 -2.583 1.672 9.572 1.00 53.41 N ATOM 1603 CA SER A 101 -2.085 0.469 10.229 1.00 32.54 C ATOM 1604 C SER A 101 -0.597 0.259 9.921 1.00 32.35 C ATOM 1605 O SER A 101 -0.152 0.498 8.794 1.00 72.40 O ATOM 1606 CB SER A 101 -2.949 -0.711 9.779 1.00 22.22 C ATOM 1607 OG SER A 101 -4.325 -0.421 9.965 1.00 11.44 O ATOM 0 H SER A 101 -2.630 1.599 8.556 1.00 53.41 H new ATOM 0 HA SER A 101 -2.158 0.564 11.312 1.00 32.54 H new ATOM 0 HB2 SER A 101 -2.757 -0.930 8.729 1.00 22.22 H new ATOM 0 HB3 SER A 101 -2.680 -1.603 10.345 1.00 22.22 H new ATOM 0 HG SER A 101 -4.863 -1.185 9.671 1.00 11.44 H new ATOM 1613 N ASP A 102 0.160 -0.239 10.898 1.00 63.30 N ATOM 1614 CA ASP A 102 1.608 -0.462 10.885 1.00 43.44 C ATOM 1615 C ASP A 102 1.897 -1.964 10.719 1.00 21.43 C ATOM 1616 O ASP A 102 2.255 -2.686 11.651 1.00 53.14 O ATOM 1617 CB ASP A 102 2.250 0.173 12.137 1.00 25.54 C ATOM 1618 CG ASP A 102 1.998 -0.588 13.446 1.00 51.34 C ATOM 1619 OD1 ASP A 102 0.855 -1.017 13.700 1.00 70.14 O ATOM 1620 OD2 ASP A 102 2.941 -0.738 14.253 1.00 71.34 O ATOM 0 H ASP A 102 -0.253 -0.519 11.788 1.00 63.30 H new ATOM 0 HA ASP A 102 2.069 0.033 10.031 1.00 43.44 H new ATOM 0 HB2 ASP A 102 3.326 0.248 11.978 1.00 25.54 H new ATOM 0 HB3 ASP A 102 1.872 1.190 12.246 1.00 25.54 H new ATOM 1625 N LYS A 103 1.694 -2.477 9.502 1.00 5.25 N ATOM 1626 CA LYS A 103 1.638 -3.928 9.254 1.00 52.41 C ATOM 1627 C LYS A 103 2.790 -4.385 8.358 1.00 41.32 C ATOM 1628 O LYS A 103 3.765 -3.633 8.217 1.00 11.45 O ATOM 1629 CB LYS A 103 0.225 -4.336 8.807 1.00 25.53 C ATOM 1630 CG LYS A 103 -0.203 -3.871 7.414 1.00 32.41 C ATOM 1631 CD LYS A 103 -0.992 -2.560 7.492 1.00 5.33 C ATOM 1632 CE LYS A 103 -0.821 -1.645 6.282 1.00 74.12 C ATOM 1633 NZ LYS A 103 0.384 -0.797 6.361 1.00 50.00 N ATOM 0 H LYS A 103 1.564 -1.908 8.666 1.00 5.25 H new ATOM 0 HA LYS A 103 1.805 -4.478 10.180 1.00 52.41 H new ATOM 0 HB2 LYS A 103 0.155 -5.423 8.842 1.00 25.53 H new ATOM 0 HB3 LYS A 103 -0.490 -3.947 9.533 1.00 25.53 H new ATOM 0 HG2 LYS A 103 0.677 -3.733 6.786 1.00 32.41 H new ATOM 0 HG3 LYS A 103 -0.814 -4.640 6.942 1.00 32.41 H new ATOM 0 HD2 LYS A 103 -2.050 -2.794 7.608 1.00 5.33 H new ATOM 0 HD3 LYS A 103 -0.685 -2.019 8.387 1.00 5.33 H new ATOM 0 HE2 LYS A 103 -0.771 -2.253 5.379 1.00 74.12 H new ATOM 0 HE3 LYS A 103 -1.700 -1.008 6.189 1.00 74.12 H new ATOM 0 HZ1 LYS A 103 0.391 -0.129 5.564 1.00 50.00 H new ATOM 0 HZ2 LYS A 103 0.378 -0.268 7.256 1.00 50.00 H new ATOM 0 HZ3 LYS A 103 1.233 -1.396 6.318 1.00 50.00 H new ATOM 1647 N ARG A 104 2.710 -5.526 7.665 1.00 45.21 N ATOM 1648 CA ARG A 104 3.726 -5.929 6.683 1.00 2.44 C ATOM 1649 C ARG A 104 3.056 -6.546 5.454 1.00 23.12 C ATOM 1650 O ARG A 104 2.495 -7.620 5.531 1.00 1.14 O ATOM 1651 CB ARG A 104 4.794 -6.812 7.355 1.00 10.04 C ATOM 1652 CG ARG A 104 4.232 -8.091 7.989 1.00 41.21 C ATOM 1653 CD ARG A 104 5.239 -8.794 8.904 1.00 41.01 C ATOM 1654 NE ARG A 104 5.420 -10.191 8.479 1.00 2.21 N ATOM 1655 CZ ARG A 104 6.557 -10.887 8.451 1.00 34.41 C ATOM 1656 NH1 ARG A 104 7.670 -10.398 8.987 1.00 53.42 N ATOM 1657 NH2 ARG A 104 6.534 -12.091 7.901 1.00 63.24 N ATOM 0 H ARG A 104 1.945 -6.193 7.767 1.00 45.21 H new ATOM 0 HA ARG A 104 4.266 -5.059 6.310 1.00 2.44 H new ATOM 0 HB2 ARG A 104 5.545 -7.085 6.614 1.00 10.04 H new ATOM 0 HB3 ARG A 104 5.302 -6.230 8.124 1.00 10.04 H new ATOM 0 HG2 ARG A 104 3.338 -7.844 8.562 1.00 41.21 H new ATOM 0 HG3 ARG A 104 3.925 -8.777 7.200 1.00 41.21 H new ATOM 0 HD2 ARG A 104 6.195 -8.271 8.876 1.00 41.01 H new ATOM 0 HD3 ARG A 104 4.888 -8.762 9.936 1.00 41.01 H new ATOM 0 HE ARG A 104 4.581 -10.683 8.171 1.00 2.21 H new ATOM 0 HH11 ARG A 104 7.662 -9.478 9.428 1.00 53.42 H new ATOM 0 HH12 ARG A 104 8.532 -10.942 8.958 1.00 53.42 H new ATOM 0 HH21 ARG A 104 5.664 -12.459 7.515 1.00 63.24 H new ATOM 0 HH22 ARG A 104 7.386 -12.651 7.863 1.00 63.24 H new ATOM 1671 N LEU A 105 3.025 -5.855 4.315 1.00 32.41 N ATOM 1672 CA LEU A 105 2.359 -6.346 3.102 1.00 2.21 C ATOM 1673 C LEU A 105 3.142 -7.553 2.584 1.00 45.34 C ATOM 1674 O LEU A 105 4.373 -7.477 2.459 1.00 71.51 O ATOM 1675 CB LEU A 105 2.287 -5.247 2.030 1.00 73.54 C ATOM 1676 CG LEU A 105 1.266 -4.111 2.228 1.00 25.23 C ATOM 1677 CD1 LEU A 105 -0.131 -4.456 1.749 1.00 24.43 C ATOM 1678 CD2 LEU A 105 1.296 -3.449 3.600 1.00 30.42 C ATOM 0 H LEU A 105 3.460 -4.939 4.204 1.00 32.41 H new ATOM 0 HA LEU A 105 1.335 -6.636 3.336 1.00 2.21 H new ATOM 0 HB2 LEU A 105 3.276 -4.797 1.946 1.00 73.54 H new ATOM 0 HB3 LEU A 105 2.073 -5.726 1.074 1.00 73.54 H new ATOM 0 HG LEU A 105 1.618 -3.329 1.555 1.00 25.23 H new ATOM 0 HD11 LEU A 105 -0.794 -3.608 1.921 1.00 24.43 H new ATOM 0 HD12 LEU A 105 -0.104 -4.685 0.684 1.00 24.43 H new ATOM 0 HD13 LEU A 105 -0.500 -5.323 2.298 1.00 24.43 H new ATOM 0 HD21 LEU A 105 0.542 -2.663 3.641 1.00 30.42 H new ATOM 0 HD22 LEU A 105 1.086 -4.194 4.368 1.00 30.42 H new ATOM 0 HD23 LEU A 105 2.281 -3.016 3.774 1.00 30.42 H new ATOM 1690 N GLU A 106 2.446 -8.632 2.206 1.00 73.13 N ATOM 1691 CA GLU A 106 3.069 -9.883 1.758 1.00 61.43 C ATOM 1692 C GLU A 106 2.843 -10.178 0.273 1.00 32.42 C ATOM 1693 O GLU A 106 2.581 -11.303 -0.160 1.00 73.23 O ATOM 1694 CB GLU A 106 2.850 -11.064 2.693 1.00 50.23 C ATOM 1695 CG GLU A 106 1.415 -11.568 2.730 1.00 74.21 C ATOM 1696 CD GLU A 106 1.272 -12.867 3.550 1.00 13.25 C ATOM 1697 OE1 GLU A 106 2.304 -13.528 3.856 1.00 33.14 O ATOM 1698 OE2 GLU A 106 0.138 -13.239 3.913 1.00 33.15 O ATOM 0 H GLU A 106 1.426 -8.661 2.203 1.00 73.13 H new ATOM 0 HA GLU A 106 4.142 -9.709 1.834 1.00 61.43 H new ATOM 0 HB2 GLU A 106 3.503 -11.881 2.388 1.00 50.23 H new ATOM 0 HB3 GLU A 106 3.149 -10.776 3.701 1.00 50.23 H new ATOM 0 HG2 GLU A 106 0.773 -10.798 3.158 1.00 74.21 H new ATOM 0 HG3 GLU A 106 1.067 -11.743 1.712 1.00 74.21 H new ATOM 1705 N LYS A 107 3.032 -9.133 -0.530 1.00 33.32 N ATOM 1706 CA LYS A 107 2.936 -9.195 -1.985 1.00 53.43 C ATOM 1707 C LYS A 107 1.535 -9.702 -2.316 1.00 50.20 C ATOM 1708 O LYS A 107 0.617 -9.504 -1.525 1.00 64.51 O ATOM 1709 CB LYS A 107 4.105 -9.985 -2.597 1.00 73.24 C ATOM 1710 CG LYS A 107 4.415 -9.501 -4.028 1.00 41.21 C ATOM 1711 CD LYS A 107 5.650 -8.596 -4.056 1.00 71.11 C ATOM 1712 CE LYS A 107 5.631 -7.534 -5.155 1.00 10.23 C ATOM 1713 NZ LYS A 107 6.725 -7.710 -6.129 1.00 32.35 N ATOM 0 H LYS A 107 3.260 -8.203 -0.180 1.00 33.32 H new ATOM 0 HA LYS A 107 3.048 -8.216 -2.451 1.00 53.43 H new ATOM 0 HB2 LYS A 107 4.991 -9.872 -1.972 1.00 73.24 H new ATOM 0 HB3 LYS A 107 3.860 -11.047 -2.614 1.00 73.24 H new ATOM 0 HG2 LYS A 107 4.577 -10.361 -4.678 1.00 41.21 H new ATOM 0 HG3 LYS A 107 3.556 -8.960 -4.425 1.00 41.21 H new ATOM 0 HD2 LYS A 107 5.744 -8.100 -3.090 1.00 71.11 H new ATOM 0 HD3 LYS A 107 6.537 -9.217 -4.183 1.00 71.11 H new ATOM 0 HE2 LYS A 107 4.675 -7.572 -5.677 1.00 10.23 H new ATOM 0 HE3 LYS A 107 5.707 -6.546 -4.702 1.00 10.23 H new ATOM 0 HZ1 LYS A 107 6.873 -6.821 -6.649 1.00 32.35 H new ATOM 0 HZ2 LYS A 107 7.599 -7.968 -5.627 1.00 32.35 H new ATOM 0 HZ3 LYS A 107 6.475 -8.465 -6.799 1.00 32.35 H new ATOM 1727 N TYR A 108 1.286 -10.168 -3.522 1.00 42.24 N ATOM 1728 CA TYR A 108 0.028 -10.833 -3.831 1.00 2.03 C ATOM 1729 C TYR A 108 0.098 -12.279 -3.342 1.00 73.44 C ATOM 1730 O TYR A 108 0.666 -13.136 -4.029 1.00 21.24 O ATOM 1731 CB TYR A 108 -0.256 -10.694 -5.322 1.00 33.45 C ATOM 1732 CG TYR A 108 -1.718 -10.794 -5.680 1.00 31.12 C ATOM 1733 CD1 TYR A 108 -2.613 -9.819 -5.194 1.00 73.54 C ATOM 1734 CD2 TYR A 108 -2.186 -11.845 -6.486 1.00 71.14 C ATOM 1735 CE1 TYR A 108 -3.974 -9.872 -5.530 1.00 1.15 C ATOM 1736 CE2 TYR A 108 -3.548 -11.911 -6.817 1.00 14.44 C ATOM 1737 CZ TYR A 108 -4.447 -10.929 -6.338 1.00 71.00 C ATOM 1738 OH TYR A 108 -5.765 -11.014 -6.661 1.00 42.24 O ATOM 0 H TYR A 108 1.934 -10.101 -4.307 1.00 42.24 H new ATOM 0 HA TYR A 108 -0.812 -10.370 -3.313 1.00 2.03 H new ATOM 0 HB2 TYR A 108 0.127 -9.733 -5.666 1.00 33.45 H new ATOM 0 HB3 TYR A 108 0.293 -11.467 -5.860 1.00 33.45 H new ATOM 0 HD1 TYR A 108 -2.248 -9.026 -4.558 1.00 73.54 H new ATOM 0 HD2 TYR A 108 -1.502 -12.598 -6.849 1.00 71.14 H new ATOM 0 HE1 TYR A 108 -4.653 -9.112 -5.174 1.00 1.15 H new ATOM 0 HE2 TYR A 108 -3.912 -12.715 -7.440 1.00 14.44 H new ATOM 0 HH TYR A 108 -5.914 -11.802 -7.224 1.00 42.24 H new ATOM 1748 N ASN A 109 -0.407 -12.554 -2.137 1.00 62.54 N ATOM 1749 CA ASN A 109 -0.472 -13.910 -1.586 1.00 63.21 C ATOM 1750 C ASN A 109 -1.619 -14.698 -2.236 1.00 43.01 C ATOM 1751 O ASN A 109 -2.595 -15.052 -1.582 1.00 10.42 O ATOM 1752 CB ASN A 109 -0.559 -13.897 -0.049 1.00 13.43 C ATOM 1753 CG ASN A 109 -0.501 -15.305 0.519 1.00 65.11 C ATOM 1754 OD1 ASN A 109 -1.463 -15.825 1.072 1.00 34.15 O ATOM 1755 ND2 ASN A 109 0.601 -15.995 0.317 1.00 30.52 N ATOM 0 H ASN A 109 -0.784 -11.840 -1.514 1.00 62.54 H new ATOM 0 HA ASN A 109 0.457 -14.425 -1.830 1.00 63.21 H new ATOM 0 HB2 ASN A 109 0.260 -13.304 0.359 1.00 13.43 H new ATOM 0 HB3 ASN A 109 -1.486 -13.415 0.261 1.00 13.43 H new ATOM 0 HD21 ASN A 109 0.657 -16.967 0.621 1.00 30.52 H new ATOM 0 HD22 ASN A 109 1.399 -15.558 -0.144 1.00 30.52 H new ATOM 1762 N ASP A 110 -1.459 -14.997 -3.525 1.00 4.05 N ATOM 1763 CA ASP A 110 -2.383 -15.717 -4.404 1.00 61.12 C ATOM 1764 C ASP A 110 -3.824 -15.237 -4.308 1.00 25.12 C ATOM 1765 O ASP A 110 -4.122 -14.239 -4.992 1.00 4.15 O ATOM 1766 CB ASP A 110 -2.209 -17.236 -4.269 1.00 24.12 C ATOM 1767 CG ASP A 110 -2.640 -17.990 -5.527 1.00 74.21 C ATOM 1768 OD1 ASP A 110 -2.388 -17.472 -6.651 1.00 72.33 O ATOM 1769 OD2 ASP A 110 -2.993 -19.181 -5.409 1.00 61.24 O ATOM 0 H ASP A 110 -0.612 -14.720 -4.022 1.00 4.05 H new ATOM 0 HA ASP A 110 -2.107 -15.468 -5.429 1.00 61.12 H new ATOM 0 HB2 ASP A 110 -1.164 -17.461 -4.055 1.00 24.12 H new ATOM 0 HB3 ASP A 110 -2.792 -17.591 -3.419 1.00 24.12 H new