USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 880 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 Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -1.59 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0511 K(o=-0.051,f=-1.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.39) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -123:sc=-0.00533 (180deg=-2.67) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.83 K(o=-1.8,f=-4.4!) USER MOD Single : A 31 CYS SG : rot -40:sc= -1.04 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.746 X(o=-0.75,f=-0.73) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.7!) USER MOD Single : A 40 SER OG : rot 16:sc= 0.816 USER MOD Single : A 46 ASN : amide:sc= -2.54 K(o=-2.5,f=-6!) USER MOD Single : A 48 LYS NZ :NH3+ -118:sc= -1.92 (180deg=-3.68!) USER MOD Single : A 50 ASN : amide:sc= -0.917 K(o=-0.92,f=-4.3) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0303) USER MOD Single : A 66 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.8) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -34:sc= 1.03 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 72 GLN : amide:sc= -0.314 K(o=-0.31,f=-3.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.0116 F(o=-0.91,f=-0.012) USER MOD Single : A 83 SER OG : rot 180:sc= -0.807 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 90 SER OG : rot -55:sc= 0.564 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.488 K(o=-0.49,f=-1.2) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N PRO A 5 -2.634 7.689 -8.210 1.00 64.54 N ATOM 63 CA PRO A 5 -2.332 7.629 -9.644 1.00 23.24 C ATOM 64 C PRO A 5 -1.672 8.906 -10.151 1.00 1.52 C ATOM 65 O PRO A 5 -0.899 8.879 -11.108 1.00 3.22 O ATOM 66 CB PRO A 5 -3.708 7.445 -10.289 1.00 3.14 C ATOM 67 CG PRO A 5 -4.666 8.030 -9.309 1.00 71.14 C ATOM 68 CD PRO A 5 -4.081 7.767 -7.949 1.00 63.05 C ATOM 0 HA PRO A 5 -1.626 6.832 -9.879 1.00 23.24 H new ATOM 0 HB2 PRO A 5 -3.766 7.954 -11.251 1.00 3.14 H new ATOM 0 HB3 PRO A 5 -3.922 6.392 -10.472 1.00 3.14 H new ATOM 0 HG2 PRO A 5 -4.793 9.099 -9.479 1.00 71.14 H new ATOM 0 HG3 PRO A 5 -5.651 7.572 -9.405 1.00 71.14 H new ATOM 0 HD2 PRO A 5 -4.320 8.566 -7.247 1.00 63.05 H new ATOM 0 HD3 PRO A 5 -4.463 6.841 -7.520 1.00 63.05 H new ATOM 76 N ALA A 6 -1.982 10.025 -9.503 1.00 31.42 N ATOM 77 CA ALA A 6 -1.417 11.312 -9.887 1.00 41.01 C ATOM 78 C ALA A 6 -1.641 11.589 -11.370 1.00 4.22 C ATOM 79 O ALA A 6 -0.860 12.301 -12.004 1.00 20.43 O ATOM 80 CB ALA A 6 0.068 11.356 -9.558 1.00 70.12 C ATOM 0 H ALA A 6 -2.622 10.065 -8.710 1.00 31.42 H new ATOM 0 HA ALA A 6 -1.927 12.089 -9.318 1.00 41.01 H new ATOM 0 HB1 ALA A 6 0.477 12.323 -9.850 1.00 70.12 H new ATOM 0 HB2 ALA A 6 0.208 11.212 -8.487 1.00 70.12 H new ATOM 0 HB3 ALA A 6 0.585 10.565 -10.101 1.00 70.12 H new ATOM 86 N LEU A 7 -2.710 11.023 -11.918 1.00 12.12 N ATOM 87 CA LEU A 7 -3.037 11.209 -13.327 1.00 65.15 C ATOM 88 C LEU A 7 -4.211 12.167 -13.493 1.00 14.53 C ATOM 89 O LEU A 7 -4.198 13.035 -14.365 1.00 2.51 O ATOM 90 CB LEU A 7 -3.366 9.864 -13.977 1.00 31.54 C ATOM 91 CG LEU A 7 -2.201 8.884 -14.120 1.00 44.22 C ATOM 92 CD1 LEU A 7 -2.691 7.450 -14.003 1.00 32.55 C ATOM 93 CD2 LEU A 7 -1.485 9.098 -15.446 1.00 23.10 C ATOM 0 H LEU A 7 -3.366 10.431 -11.408 1.00 12.12 H new ATOM 0 HA LEU A 7 -2.167 11.642 -13.821 1.00 65.15 H new ATOM 0 HB2 LEU A 7 -4.150 9.383 -13.392 1.00 31.54 H new ATOM 0 HB3 LEU A 7 -3.779 10.053 -14.968 1.00 31.54 H new ATOM 0 HG LEU A 7 -1.493 9.071 -13.312 1.00 44.22 H new ATOM 0 HD11 LEU A 7 -1.847 6.768 -14.107 1.00 32.55 H new ATOM 0 HD12 LEU A 7 -3.158 7.303 -13.029 1.00 32.55 H new ATOM 0 HD13 LEU A 7 -3.419 7.249 -14.789 1.00 32.55 H new ATOM 0 HD21 LEU A 7 -0.659 8.392 -15.531 1.00 23.10 H new ATOM 0 HD22 LEU A 7 -2.184 8.939 -16.267 1.00 23.10 H new ATOM 0 HD23 LEU A 7 -1.099 10.116 -15.491 1.00 23.10 H new ATOM 105 N GLN A 8 -5.225 12.005 -12.648 1.00 24.30 N ATOM 106 CA GLN A 8 -6.406 12.857 -12.700 1.00 54.11 C ATOM 107 C GLN A 8 -6.776 13.360 -11.309 1.00 14.42 C ATOM 108 O GLN A 8 -7.916 13.214 -10.869 1.00 12.10 O ATOM 109 CB GLN A 8 -7.584 12.095 -13.310 1.00 34.04 C ATOM 110 CG GLN A 8 -7.539 12.017 -14.827 1.00 41.21 C ATOM 111 CD GLN A 8 -8.919 12.031 -15.454 1.00 12.52 C ATOM 112 OE1 GLN A 8 -9.704 11.099 -15.276 1.00 42.25 O ATOM 113 NE2 GLN A 8 -9.224 13.092 -16.192 1.00 44.50 N ATOM 0 H GLN A 8 -5.251 11.291 -11.920 1.00 24.30 H new ATOM 0 HA GLN A 8 -6.175 13.718 -13.328 1.00 54.11 H new ATOM 0 HB2 GLN A 8 -7.602 11.084 -12.903 1.00 34.04 H new ATOM 0 HB3 GLN A 8 -8.514 12.577 -13.007 1.00 34.04 H new ATOM 0 HG2 GLN A 8 -6.960 12.856 -15.213 1.00 41.21 H new ATOM 0 HG3 GLN A 8 -7.018 11.107 -15.125 1.00 41.21 H new ATOM 0 HE21 GLN A 8 -8.543 13.842 -16.313 1.00 44.50 H new ATOM 0 HE22 GLN A 8 -10.139 13.157 -16.638 1.00 44.50 H new ATOM 122 N GLU A 9 -5.805 13.953 -10.622 1.00 10.25 N ATOM 123 CA GLU A 9 -6.030 14.477 -9.279 1.00 63.23 C ATOM 124 C GLU A 9 -5.923 15.999 -9.264 1.00 61.11 C ATOM 125 O GLU A 9 -5.239 16.577 -8.419 1.00 63.41 O ATOM 126 CB GLU A 9 -5.023 13.874 -8.298 1.00 3.15 C ATOM 127 CG GLU A 9 -3.574 14.136 -8.674 1.00 71.53 C ATOM 128 CD GLU A 9 -2.610 13.803 -7.552 1.00 32.20 C ATOM 129 OE1 GLU A 9 -2.946 12.937 -6.718 1.00 32.42 O ATOM 130 OE2 GLU A 9 -1.519 14.409 -7.509 1.00 12.24 O ATOM 0 H GLU A 9 -4.856 14.083 -10.972 1.00 10.25 H new ATOM 0 HA GLU A 9 -7.038 14.198 -8.971 1.00 63.23 H new ATOM 0 HB2 GLU A 9 -5.210 14.279 -7.304 1.00 3.15 H new ATOM 0 HB3 GLU A 9 -5.185 12.798 -8.240 1.00 3.15 H new ATOM 0 HG2 GLU A 9 -3.319 13.546 -9.554 1.00 71.53 H new ATOM 0 HG3 GLU A 9 -3.458 15.184 -8.948 1.00 71.53 H new ATOM 137 N LYS A 10 -6.604 16.643 -10.206 1.00 0.34 N ATOM 138 CA LYS A 10 -6.588 18.098 -10.302 1.00 42.11 C ATOM 139 C LYS A 10 -7.422 18.726 -9.190 1.00 51.44 C ATOM 140 O LYS A 10 -8.618 18.459 -9.073 1.00 14.00 O ATOM 141 CB LYS A 10 -7.117 18.545 -11.667 1.00 14.15 C ATOM 142 CG LYS A 10 -6.033 19.045 -12.606 1.00 14.13 C ATOM 143 CD LYS A 10 -6.603 19.957 -13.679 1.00 41.22 C ATOM 144 CE LYS A 10 -5.722 21.178 -13.899 1.00 21.45 C ATOM 145 NZ LYS A 10 -6.471 22.295 -14.537 1.00 12.13 N ATOM 0 H LYS A 10 -7.174 16.180 -10.914 1.00 0.34 H new ATOM 0 HA LYS A 10 -5.557 18.434 -10.191 1.00 42.11 H new ATOM 0 HB2 LYS A 10 -7.636 17.710 -12.137 1.00 14.15 H new ATOM 0 HB3 LYS A 10 -7.852 19.336 -11.521 1.00 14.15 H new ATOM 0 HG2 LYS A 10 -5.275 19.582 -12.035 1.00 14.13 H new ATOM 0 HG3 LYS A 10 -5.536 18.196 -13.075 1.00 14.13 H new ATOM 0 HD2 LYS A 10 -6.701 19.404 -14.613 1.00 41.22 H new ATOM 0 HD3 LYS A 10 -7.605 20.277 -13.392 1.00 41.22 H new ATOM 0 HE2 LYS A 10 -5.318 21.511 -12.943 1.00 21.45 H new ATOM 0 HE3 LYS A 10 -4.873 20.905 -14.526 1.00 21.45 H new ATOM 0 HZ1 LYS A 10 -5.836 23.108 -14.670 1.00 12.13 H new ATOM 0 HZ2 LYS A 10 -6.835 21.986 -15.461 1.00 12.13 H new ATOM 0 HZ3 LYS A 10 -7.266 22.573 -13.927 1.00 12.13 H new ATOM 159 N ILE A 11 -6.784 19.563 -8.379 1.00 31.33 N ATOM 160 CA ILE A 11 -7.469 20.230 -7.279 1.00 1.52 C ATOM 161 C ILE A 11 -7.876 21.648 -7.665 1.00 1.54 C ATOM 162 O ILE A 11 -7.110 22.374 -8.299 1.00 13.21 O ATOM 163 CB ILE A 11 -6.587 20.287 -6.018 1.00 24.13 C ATOM 164 CG1 ILE A 11 -7.318 21.018 -4.890 1.00 23.45 C ATOM 165 CG2 ILE A 11 -5.263 20.969 -6.328 1.00 3.44 C ATOM 166 CD1 ILE A 11 -8.600 20.339 -4.462 1.00 13.31 C ATOM 0 H ILE A 11 -5.794 19.795 -8.463 1.00 31.33 H new ATOM 0 HA ILE A 11 -8.362 19.644 -7.061 1.00 1.52 H new ATOM 0 HB ILE A 11 -6.380 19.268 -5.691 1.00 24.13 H new ATOM 0 HG12 ILE A 11 -6.654 21.098 -4.029 1.00 23.45 H new ATOM 0 HG13 ILE A 11 -7.545 22.034 -5.213 1.00 23.45 H new ATOM 0 HG21 ILE A 11 -4.651 21.002 -5.427 1.00 3.44 H new ATOM 0 HG22 ILE A 11 -4.739 20.410 -7.103 1.00 3.44 H new ATOM 0 HG23 ILE A 11 -5.450 21.985 -6.677 1.00 3.44 H new ATOM 0 HD11 ILE A 11 -9.065 20.912 -3.659 1.00 13.31 H new ATOM 0 HD12 ILE A 11 -9.283 20.283 -5.310 1.00 13.31 H new ATOM 0 HD13 ILE A 11 -8.378 19.332 -4.108 1.00 13.31 H new ATOM 178 N SER A 12 -9.086 22.037 -7.276 1.00 0.42 N ATOM 179 CA SER A 12 -9.596 23.369 -7.582 1.00 73.55 C ATOM 180 C SER A 12 -9.792 23.542 -9.086 1.00 13.25 C ATOM 181 O SER A 12 -9.020 23.019 -9.890 1.00 20.15 O ATOM 182 CB SER A 12 -8.639 24.439 -7.054 1.00 73.15 C ATOM 183 OG SER A 12 -8.232 24.150 -5.728 1.00 72.33 O ATOM 0 H SER A 12 -9.731 21.449 -6.748 1.00 0.42 H new ATOM 0 HA SER A 12 -10.562 23.483 -7.091 1.00 73.55 H new ATOM 0 HB2 SER A 12 -7.764 24.500 -7.701 1.00 73.15 H new ATOM 0 HB3 SER A 12 -9.126 25.414 -7.084 1.00 73.15 H new ATOM 0 HG SER A 12 -7.620 24.848 -5.414 1.00 72.33 H new ATOM 189 N THR A 13 -10.832 24.282 -9.459 1.00 33.51 N ATOM 190 CA THR A 13 -11.132 24.524 -10.864 1.00 52.33 C ATOM 191 C THR A 13 -11.026 26.007 -11.201 1.00 42.20 C ATOM 192 O THR A 13 -10.484 26.379 -12.242 1.00 33.15 O ATOM 193 CB THR A 13 -12.542 24.026 -11.232 1.00 75.10 C ATOM 194 OG1 THR A 13 -12.873 24.430 -12.565 1.00 43.05 O ATOM 195 CG2 THR A 13 -13.579 24.570 -10.260 1.00 70.25 C ATOM 0 H THR A 13 -11.480 24.724 -8.807 1.00 33.51 H new ATOM 0 HA THR A 13 -10.396 23.968 -11.444 1.00 52.33 H new ATOM 0 HB THR A 13 -12.545 22.938 -11.172 1.00 75.10 H new ATOM 0 HG1 THR A 13 -13.770 24.108 -12.791 1.00 43.05 H new ATOM 0 HG21 THR A 13 -14.567 24.205 -10.540 1.00 70.25 H new ATOM 0 HG22 THR A 13 -13.342 24.236 -9.250 1.00 70.25 H new ATOM 0 HG23 THR A 13 -13.572 25.659 -10.293 1.00 70.25 H new ATOM 203 N GLU A 14 -11.545 26.850 -10.314 1.00 35.34 N ATOM 204 CA GLU A 14 -11.508 28.293 -10.519 1.00 31.14 C ATOM 205 C GLU A 14 -11.051 29.011 -9.252 1.00 33.32 C ATOM 206 O GLU A 14 -11.077 30.240 -9.177 1.00 73.13 O ATOM 207 CB GLU A 14 -12.886 28.806 -10.940 1.00 55.40 C ATOM 208 CG GLU A 14 -13.251 28.464 -12.375 1.00 31.33 C ATOM 209 CD GLU A 14 -14.546 29.116 -12.819 1.00 42.13 C ATOM 210 OE1 GLU A 14 -14.931 30.139 -12.216 1.00 54.51 O ATOM 211 OE2 GLU A 14 -15.173 28.604 -13.769 1.00 73.35 O ATOM 0 H GLU A 14 -11.996 26.559 -9.447 1.00 35.34 H new ATOM 0 HA GLU A 14 -10.792 28.503 -11.313 1.00 31.14 H new ATOM 0 HB2 GLU A 14 -13.640 28.387 -10.273 1.00 55.40 H new ATOM 0 HB3 GLU A 14 -12.915 29.888 -10.815 1.00 55.40 H new ATOM 0 HG2 GLU A 14 -12.444 28.780 -13.036 1.00 31.33 H new ATOM 0 HG3 GLU A 14 -13.340 27.382 -12.475 1.00 31.33 H new ATOM 218 N LEU A 15 -10.634 28.235 -8.257 1.00 61.04 N ATOM 219 CA LEU A 15 -10.171 28.795 -6.992 1.00 54.24 C ATOM 220 C LEU A 15 -11.350 29.202 -6.114 1.00 30.55 C ATOM 221 O LEU A 15 -11.181 29.505 -4.933 1.00 52.34 O ATOM 222 CB LEU A 15 -9.270 30.004 -7.247 1.00 4.32 C ATOM 223 CG LEU A 15 -8.050 30.136 -6.334 1.00 11.13 C ATOM 224 CD1 LEU A 15 -6.814 30.498 -7.143 1.00 13.34 C ATOM 225 CD2 LEU A 15 -8.304 31.175 -5.251 1.00 34.31 C ATOM 0 H LEU A 15 -10.607 27.216 -8.302 1.00 61.04 H new ATOM 0 HA LEU A 15 -9.600 28.027 -6.470 1.00 54.24 H new ATOM 0 HB2 LEU A 15 -8.923 29.962 -8.280 1.00 4.32 H new ATOM 0 HB3 LEU A 15 -9.872 30.908 -7.149 1.00 4.32 H new ATOM 0 HG LEU A 15 -7.875 29.174 -5.853 1.00 11.13 H new ATOM 0 HD11 LEU A 15 -5.956 30.588 -6.476 1.00 13.34 H new ATOM 0 HD12 LEU A 15 -6.621 29.719 -7.880 1.00 13.34 H new ATOM 0 HD13 LEU A 15 -6.978 31.447 -7.653 1.00 13.34 H new ATOM 0 HD21 LEU A 15 -7.425 31.256 -4.611 1.00 34.31 H new ATOM 0 HD22 LEU A 15 -8.506 32.141 -5.714 1.00 34.31 H new ATOM 0 HD23 LEU A 15 -9.163 30.873 -4.652 1.00 34.31 H new ATOM 237 N ASN A 16 -12.544 29.202 -6.697 1.00 51.52 N ATOM 238 CA ASN A 16 -13.752 29.570 -5.966 1.00 63.35 C ATOM 239 C ASN A 16 -14.491 28.328 -5.478 1.00 61.43 C ATOM 240 O ASN A 16 -14.915 28.258 -4.325 1.00 43.34 O ATOM 241 CB ASN A 16 -14.673 30.410 -6.853 1.00 13.03 C ATOM 242 CG ASN A 16 -14.509 31.898 -6.610 1.00 52.05 C ATOM 243 OD1 ASN A 16 -13.577 32.522 -7.117 1.00 64.44 O ATOM 244 ND2 ASN A 16 -15.418 32.474 -5.832 1.00 4.22 N ATOM 0 H ASN A 16 -12.702 28.951 -7.673 1.00 51.52 H new ATOM 0 HA ASN A 16 -13.457 30.160 -5.098 1.00 63.35 H new ATOM 0 HB2 ASN A 16 -14.464 30.190 -7.900 1.00 13.03 H new ATOM 0 HB3 ASN A 16 -15.709 30.126 -6.668 1.00 13.03 H new ATOM 0 HD21 ASN A 16 -15.360 33.473 -5.634 1.00 4.22 H new ATOM 0 HD22 ASN A 16 -16.174 31.918 -5.433 1.00 4.22 H new ATOM 251 N ASN A 17 -14.641 27.348 -6.364 1.00 51.54 N ATOM 252 CA ASN A 17 -15.329 26.108 -6.024 1.00 50.40 C ATOM 253 C ASN A 17 -14.429 25.197 -5.196 1.00 23.50 C ATOM 254 O ASN A 17 -14.904 24.288 -4.514 1.00 54.40 O ATOM 255 CB ASN A 17 -15.777 25.384 -7.295 1.00 30.10 C ATOM 256 CG ASN A 17 -16.961 26.060 -7.959 1.00 33.32 C ATOM 257 OD1 ASN A 17 -17.670 26.849 -7.334 1.00 73.30 O ATOM 258 ND2 ASN A 17 -17.181 25.752 -9.232 1.00 3.02 N ATOM 0 H ASN A 17 -14.295 27.389 -7.323 1.00 51.54 H new ATOM 0 HA ASN A 17 -16.207 26.360 -5.429 1.00 50.40 H new ATOM 0 HB2 ASN A 17 -14.945 25.342 -7.998 1.00 30.10 H new ATOM 0 HB3 ASN A 17 -16.040 24.355 -7.050 1.00 30.10 H new ATOM 0 HD21 ASN A 17 -17.964 26.175 -9.731 1.00 3.02 H new ATOM 0 HD22 ASN A 17 -16.567 25.093 -9.711 1.00 3.02 H new ATOM 265 N LYS A 18 -13.125 25.445 -5.260 1.00 10.02 N ATOM 266 CA LYS A 18 -12.157 24.649 -4.515 1.00 65.03 C ATOM 267 C LYS A 18 -12.539 24.566 -3.041 1.00 1.00 C ATOM 268 O LYS A 18 -12.280 23.561 -2.380 1.00 33.13 O ATOM 269 CB LYS A 18 -10.756 25.249 -4.657 1.00 21.02 C ATOM 270 CG LYS A 18 -10.548 26.508 -3.833 1.00 45.24 C ATOM 271 CD LYS A 18 -9.958 26.191 -2.469 1.00 42.23 C ATOM 272 CE LYS A 18 -9.183 27.374 -1.908 1.00 53.05 C ATOM 273 NZ LYS A 18 -7.739 27.312 -2.267 1.00 74.05 N ATOM 0 H LYS A 18 -12.714 26.192 -5.821 1.00 10.02 H new ATOM 0 HA LYS A 18 -12.158 23.641 -4.929 1.00 65.03 H new ATOM 0 HB2 LYS A 18 -10.019 24.504 -4.359 1.00 21.02 H new ATOM 0 HB3 LYS A 18 -10.572 25.477 -5.707 1.00 21.02 H new ATOM 0 HG2 LYS A 18 -9.885 27.188 -4.368 1.00 45.24 H new ATOM 0 HG3 LYS A 18 -11.500 27.023 -3.708 1.00 45.24 H new ATOM 0 HD2 LYS A 18 -10.758 25.919 -1.780 1.00 42.23 H new ATOM 0 HD3 LYS A 18 -9.298 25.327 -2.549 1.00 42.23 H new ATOM 0 HE2 LYS A 18 -9.612 28.302 -2.287 1.00 53.05 H new ATOM 0 HE3 LYS A 18 -9.287 27.395 -0.823 1.00 53.05 H new ATOM 0 HZ1 LYS A 18 -7.246 28.135 -1.866 1.00 74.05 H new ATOM 0 HZ2 LYS A 18 -7.323 26.439 -1.884 1.00 74.05 H new ATOM 0 HZ3 LYS A 18 -7.638 27.318 -3.302 1.00 74.05 H new ATOM 287 N GLN A 19 -13.157 25.628 -2.534 1.00 24.01 N ATOM 288 CA GLN A 19 -13.575 25.673 -1.138 1.00 0.52 C ATOM 289 C GLN A 19 -14.730 24.711 -0.884 1.00 74.11 C ATOM 290 O GLN A 19 -14.728 23.968 0.098 1.00 73.34 O ATOM 291 CB GLN A 19 -13.986 27.096 -0.753 1.00 34.52 C ATOM 292 CG GLN A 19 -12.872 27.895 -0.096 1.00 71.44 C ATOM 293 CD GLN A 19 -12.879 29.353 -0.509 1.00 42.32 C ATOM 294 OE1 GLN A 19 -13.932 29.926 -0.790 1.00 10.22 O ATOM 295 NE2 GLN A 19 -11.700 29.963 -0.548 1.00 41.23 N ATOM 0 H GLN A 19 -13.379 26.468 -3.069 1.00 24.01 H new ATOM 0 HA GLN A 19 -12.730 25.367 -0.522 1.00 0.52 H new ATOM 0 HB2 GLN A 19 -14.321 27.623 -1.647 1.00 34.52 H new ATOM 0 HB3 GLN A 19 -14.837 27.048 -0.073 1.00 34.52 H new ATOM 0 HG2 GLN A 19 -12.972 27.828 0.987 1.00 71.44 H new ATOM 0 HG3 GLN A 19 -11.910 27.452 -0.356 1.00 71.44 H new ATOM 0 HE21 GLN A 19 -10.852 29.450 -0.307 1.00 41.23 H new ATOM 0 HE22 GLN A 19 -11.642 30.945 -0.819 1.00 41.23 H new ATOM 304 N TYR A 20 -15.716 24.730 -1.775 1.00 21.15 N ATOM 305 CA TYR A 20 -16.879 23.861 -1.646 1.00 34.35 C ATOM 306 C TYR A 20 -16.504 22.405 -1.906 1.00 43.34 C ATOM 307 O TYR A 20 -16.997 21.497 -1.239 1.00 32.11 O ATOM 308 CB TYR A 20 -17.978 24.297 -2.616 1.00 13.21 C ATOM 309 CG TYR A 20 -18.819 25.444 -2.102 1.00 52.13 C ATOM 310 CD1 TYR A 20 -19.834 25.228 -1.178 1.00 5.42 C ATOM 311 CD2 TYR A 20 -18.598 26.744 -2.541 1.00 73.11 C ATOM 312 CE1 TYR A 20 -20.605 26.273 -0.707 1.00 4.34 C ATOM 313 CE2 TYR A 20 -19.363 27.795 -2.074 1.00 54.22 C ATOM 314 CZ TYR A 20 -20.366 27.555 -1.158 1.00 24.35 C ATOM 315 OH TYR A 20 -21.131 28.598 -0.689 1.00 45.55 O ATOM 0 H TYR A 20 -15.732 25.338 -2.594 1.00 21.15 H new ATOM 0 HA TYR A 20 -17.251 23.944 -0.625 1.00 34.35 H new ATOM 0 HB2 TYR A 20 -17.522 24.588 -3.562 1.00 13.21 H new ATOM 0 HB3 TYR A 20 -18.627 23.446 -2.823 1.00 13.21 H new ATOM 0 HD1 TYR A 20 -20.023 24.226 -0.822 1.00 5.42 H new ATOM 0 HD2 TYR A 20 -17.815 26.936 -3.260 1.00 73.11 H new ATOM 0 HE1 TYR A 20 -21.391 26.088 0.010 1.00 4.34 H new ATOM 0 HE2 TYR A 20 -19.177 28.800 -2.424 1.00 54.22 H new ATOM 0 HH TYR A 20 -20.834 29.434 -1.105 1.00 45.55 H new ATOM 325 N GLU A 21 -15.626 22.193 -2.882 1.00 50.10 N ATOM 326 CA GLU A 21 -15.184 20.848 -3.232 1.00 2.43 C ATOM 327 C GLU A 21 -14.307 20.260 -2.130 1.00 14.13 C ATOM 328 O GLU A 21 -14.482 19.108 -1.730 1.00 53.10 O ATOM 329 CB GLU A 21 -14.414 20.868 -4.554 1.00 54.32 C ATOM 330 CG GLU A 21 -15.213 20.333 -5.731 1.00 23.21 C ATOM 331 CD GLU A 21 -15.524 18.854 -5.600 1.00 51.52 C ATOM 332 OE1 GLU A 21 -15.214 18.275 -4.538 1.00 42.21 O ATOM 333 OE2 GLU A 21 -16.077 18.277 -6.559 1.00 52.02 O ATOM 0 H GLU A 21 -15.207 22.935 -3.444 1.00 50.10 H new ATOM 0 HA GLU A 21 -16.068 20.220 -3.344 1.00 2.43 H new ATOM 0 HB2 GLU A 21 -14.106 21.891 -4.770 1.00 54.32 H new ATOM 0 HB3 GLU A 21 -13.505 20.277 -4.444 1.00 54.32 H new ATOM 0 HG2 GLU A 21 -16.146 20.891 -5.816 1.00 23.21 H new ATOM 0 HG3 GLU A 21 -14.655 20.503 -6.652 1.00 23.21 H new ATOM 340 N LEU A 22 -13.364 21.059 -1.643 1.00 21.41 N ATOM 341 CA LEU A 22 -12.459 20.618 -0.587 1.00 43.21 C ATOM 342 C LEU A 22 -13.224 20.323 0.699 1.00 75.55 C ATOM 343 O LEU A 22 -12.852 19.434 1.465 1.00 73.42 O ATOM 344 CB LEU A 22 -11.392 21.683 -0.325 1.00 52.15 C ATOM 345 CG LEU A 22 -10.241 21.741 -1.330 1.00 23.21 C ATOM 346 CD1 LEU A 22 -9.416 23.002 -1.125 1.00 30.03 C ATOM 347 CD2 LEU A 22 -9.364 20.503 -1.208 1.00 74.34 C ATOM 0 H LEU A 22 -13.206 22.015 -1.962 1.00 21.41 H new ATOM 0 HA LEU A 22 -11.975 19.700 -0.919 1.00 43.21 H new ATOM 0 HB2 LEU A 22 -11.878 22.658 -0.303 1.00 52.15 H new ATOM 0 HB3 LEU A 22 -10.974 21.513 0.667 1.00 52.15 H new ATOM 0 HG LEU A 22 -10.663 21.766 -2.335 1.00 23.21 H new ATOM 0 HD11 LEU A 22 -8.602 23.026 -1.849 1.00 30.03 H new ATOM 0 HD12 LEU A 22 -10.050 23.878 -1.263 1.00 30.03 H new ATOM 0 HD13 LEU A 22 -9.004 23.007 -0.116 1.00 30.03 H new ATOM 0 HD21 LEU A 22 -8.550 20.561 -1.931 1.00 74.34 H new ATOM 0 HD22 LEU A 22 -8.952 20.447 -0.201 1.00 74.34 H new ATOM 0 HD23 LEU A 22 -9.961 19.613 -1.405 1.00 74.34 H new ATOM 359 N PHE A 23 -14.298 21.072 0.928 1.00 45.24 N ATOM 360 CA PHE A 23 -15.117 20.890 2.120 1.00 72.21 C ATOM 361 C PHE A 23 -15.705 19.483 2.166 1.00 72.54 C ATOM 362 O PHE A 23 -15.630 18.800 3.187 1.00 41.01 O ATOM 363 CB PHE A 23 -16.242 21.926 2.155 1.00 53.24 C ATOM 364 CG PHE A 23 -16.117 22.910 3.283 1.00 63.13 C ATOM 365 CD1 PHE A 23 -14.912 23.548 3.532 1.00 15.10 C ATOM 366 CD2 PHE A 23 -17.203 23.196 4.094 1.00 22.21 C ATOM 367 CE1 PHE A 23 -14.794 24.454 4.569 1.00 4.21 C ATOM 368 CE2 PHE A 23 -17.090 24.101 5.132 1.00 10.13 C ATOM 369 CZ PHE A 23 -15.884 24.730 5.371 1.00 43.11 C ATOM 0 H PHE A 23 -14.621 21.811 0.303 1.00 45.24 H new ATOM 0 HA PHE A 23 -14.479 21.027 2.993 1.00 72.21 H new ATOM 0 HB2 PHE A 23 -16.255 22.469 1.210 1.00 53.24 H new ATOM 0 HB3 PHE A 23 -17.198 21.409 2.239 1.00 53.24 H new ATOM 0 HD1 PHE A 23 -14.056 23.335 2.909 1.00 15.10 H new ATOM 0 HD2 PHE A 23 -18.148 22.706 3.913 1.00 22.21 H new ATOM 0 HE1 PHE A 23 -13.850 24.946 4.752 1.00 4.21 H new ATOM 0 HE2 PHE A 23 -17.945 24.316 5.756 1.00 10.13 H new ATOM 0 HZ PHE A 23 -15.793 25.436 6.183 1.00 43.11 H new ATOM 379 N MET A 24 -16.291 19.056 1.052 1.00 61.04 N ATOM 380 CA MET A 24 -16.891 17.730 0.964 1.00 75.01 C ATOM 381 C MET A 24 -15.823 16.663 0.749 1.00 73.53 C ATOM 382 O MET A 24 -15.956 15.533 1.220 1.00 23.13 O ATOM 383 CB MET A 24 -17.912 17.683 -0.175 1.00 13.33 C ATOM 384 CG MET A 24 -19.329 17.391 0.291 1.00 33.42 C ATOM 385 SD MET A 24 -20.070 18.776 1.176 1.00 4.23 S ATOM 386 CE MET A 24 -21.660 18.083 1.622 1.00 23.40 C ATOM 0 H MET A 24 -16.363 19.609 0.198 1.00 61.04 H new ATOM 0 HA MET A 24 -17.399 17.526 1.906 1.00 75.01 H new ATOM 0 HB2 MET A 24 -17.901 18.637 -0.702 1.00 13.33 H new ATOM 0 HB3 MET A 24 -17.609 16.920 -0.892 1.00 13.33 H new ATOM 0 HG2 MET A 24 -19.947 17.144 -0.572 1.00 33.42 H new ATOM 0 HG3 MET A 24 -19.321 16.514 0.938 1.00 33.42 H new ATOM 0 HE1 MET A 24 -22.456 18.715 1.227 1.00 23.40 H new ATOM 0 HE2 MET A 24 -21.751 17.081 1.203 1.00 23.40 H new ATOM 0 HE3 MET A 24 -21.743 18.031 2.708 1.00 23.40 H new ATOM 396 N LYS A 25 -14.765 17.027 0.033 1.00 5.15 N ATOM 397 CA LYS A 25 -13.672 16.102 -0.244 1.00 34.31 C ATOM 398 C LYS A 25 -12.946 15.716 1.041 1.00 15.00 C ATOM 399 O LYS A 25 -12.687 14.539 1.289 1.00 33.42 O ATOM 400 CB LYS A 25 -12.685 16.727 -1.232 1.00 32.00 C ATOM 401 CG LYS A 25 -11.490 15.842 -1.540 1.00 73.45 C ATOM 402 CD LYS A 25 -10.180 16.545 -1.230 1.00 41.42 C ATOM 403 CE LYS A 25 -9.884 16.541 0.262 1.00 73.42 C ATOM 404 NZ LYS A 25 -8.423 16.618 0.538 1.00 10.11 N ATOM 0 H LYS A 25 -14.641 17.957 -0.367 1.00 5.15 H new ATOM 0 HA LYS A 25 -14.096 15.200 -0.685 1.00 34.31 H new ATOM 0 HB2 LYS A 25 -13.208 16.953 -2.161 1.00 32.00 H new ATOM 0 HB3 LYS A 25 -12.330 17.675 -0.827 1.00 32.00 H new ATOM 0 HG2 LYS A 25 -11.557 14.923 -0.958 1.00 73.45 H new ATOM 0 HG3 LYS A 25 -11.510 15.555 -2.591 1.00 73.45 H new ATOM 0 HD2 LYS A 25 -9.367 16.054 -1.764 1.00 41.42 H new ATOM 0 HD3 LYS A 25 -10.223 17.573 -1.591 1.00 41.42 H new ATOM 0 HE2 LYS A 25 -10.388 17.384 0.734 1.00 73.42 H new ATOM 0 HE3 LYS A 25 -10.291 15.635 0.711 1.00 73.42 H new ATOM 0 HZ1 LYS A 25 -8.263 16.613 1.566 1.00 10.11 H new ATOM 0 HZ2 LYS A 25 -7.945 15.800 0.109 1.00 10.11 H new ATOM 0 HZ3 LYS A 25 -8.039 17.495 0.132 1.00 10.11 H new ATOM 418 N SER A 26 -12.622 16.716 1.855 1.00 33.40 N ATOM 419 CA SER A 26 -11.924 16.481 3.114 1.00 72.34 C ATOM 420 C SER A 26 -12.821 15.744 4.103 1.00 34.42 C ATOM 421 O SER A 26 -12.351 14.929 4.899 1.00 42.43 O ATOM 422 CB SER A 26 -11.460 17.807 3.719 1.00 62.13 C ATOM 423 OG SER A 26 -12.423 18.320 4.623 1.00 51.15 O ATOM 0 H SER A 26 -12.832 17.696 1.665 1.00 33.40 H new ATOM 0 HA SER A 26 -11.053 15.859 2.908 1.00 72.34 H new ATOM 0 HB2 SER A 26 -10.512 17.662 4.237 1.00 62.13 H new ATOM 0 HB3 SER A 26 -11.282 18.531 2.924 1.00 62.13 H new ATOM 0 HG SER A 26 -12.102 19.167 4.997 1.00 51.15 H new ATOM 429 N LEU A 27 -14.116 16.035 4.048 1.00 33.21 N ATOM 430 CA LEU A 27 -15.082 15.400 4.939 1.00 2.40 C ATOM 431 C LEU A 27 -15.297 13.939 4.557 1.00 1.42 C ATOM 432 O LEU A 27 -15.244 13.051 5.408 1.00 11.14 O ATOM 433 CB LEU A 27 -16.414 16.152 4.898 1.00 64.41 C ATOM 434 CG LEU A 27 -16.667 17.133 6.043 1.00 24.42 C ATOM 435 CD1 LEU A 27 -15.630 18.245 6.032 1.00 40.32 C ATOM 436 CD2 LEU A 27 -18.072 17.709 5.951 1.00 42.42 C ATOM 0 H LEU A 27 -14.522 16.706 3.396 1.00 33.21 H new ATOM 0 HA LEU A 27 -14.683 15.436 5.953 1.00 2.40 H new ATOM 0 HB2 LEU A 27 -16.470 16.700 3.958 1.00 64.41 H new ATOM 0 HB3 LEU A 27 -17.221 15.420 4.889 1.00 64.41 H new ATOM 0 HG LEU A 27 -16.579 16.593 6.985 1.00 24.42 H new ATOM 0 HD11 LEU A 27 -15.826 18.934 6.854 1.00 40.32 H new ATOM 0 HD12 LEU A 27 -14.635 17.816 6.148 1.00 40.32 H new ATOM 0 HD13 LEU A 27 -15.685 18.784 5.086 1.00 40.32 H new ATOM 0 HD21 LEU A 27 -18.234 18.405 6.774 1.00 42.42 H new ATOM 0 HD22 LEU A 27 -18.189 18.234 5.003 1.00 42.42 H new ATOM 0 HD23 LEU A 27 -18.801 16.901 6.010 1.00 42.42 H new ATOM 448 N ILE A 28 -15.537 13.698 3.273 1.00 53.21 N ATOM 449 CA ILE A 28 -15.757 12.345 2.778 1.00 23.34 C ATOM 450 C ILE A 28 -14.487 11.508 2.886 1.00 64.44 C ATOM 451 O ILE A 28 -14.518 10.374 3.363 1.00 63.11 O ATOM 452 CB ILE A 28 -16.232 12.351 1.314 1.00 71.35 C ATOM 453 CG1 ILE A 28 -17.599 13.029 1.201 1.00 61.02 C ATOM 454 CG2 ILE A 28 -16.293 10.931 0.771 1.00 60.33 C ATOM 455 CD1 ILE A 28 -18.723 12.230 1.822 1.00 71.34 C ATOM 0 H ILE A 28 -15.584 14.422 2.556 1.00 53.21 H new ATOM 0 HA ILE A 28 -16.535 11.903 3.401 1.00 23.34 H new ATOM 0 HB ILE A 28 -15.516 12.917 0.718 1.00 71.35 H new ATOM 0 HG12 ILE A 28 -17.551 14.007 1.680 1.00 61.02 H new ATOM 0 HG13 ILE A 28 -17.824 13.201 0.148 1.00 61.02 H new ATOM 0 HG21 ILE A 28 -16.631 10.952 -0.265 1.00 60.33 H new ATOM 0 HG22 ILE A 28 -15.302 10.480 0.821 1.00 60.33 H new ATOM 0 HG23 ILE A 28 -16.990 10.343 1.368 1.00 60.33 H new ATOM 0 HD11 ILE A 28 -19.662 12.771 1.705 1.00 71.34 H new ATOM 0 HD12 ILE A 28 -18.798 11.262 1.327 1.00 71.34 H new ATOM 0 HD13 ILE A 28 -18.520 12.081 2.883 1.00 71.34 H new ATOM 467 N GLU A 29 -13.371 12.076 2.440 1.00 65.33 N ATOM 468 CA GLU A 29 -12.089 11.381 2.487 1.00 52.23 C ATOM 469 C GLU A 29 -11.701 11.052 3.925 1.00 34.14 C ATOM 470 O GLU A 29 -11.070 10.030 4.191 1.00 42.13 O ATOM 471 CB GLU A 29 -10.998 12.233 1.835 1.00 1.21 C ATOM 472 CG GLU A 29 -10.479 13.346 2.730 1.00 52.33 C ATOM 473 CD GLU A 29 -9.336 12.896 3.619 1.00 75.42 C ATOM 474 OE1 GLU A 29 -8.998 11.694 3.588 1.00 40.15 O ATOM 475 OE2 GLU A 29 -8.781 13.745 4.346 1.00 45.42 O ATOM 0 H GLU A 29 -13.328 13.014 2.042 1.00 65.33 H new ATOM 0 HA GLU A 29 -12.190 10.447 1.934 1.00 52.23 H new ATOM 0 HB2 GLU A 29 -10.166 11.588 1.552 1.00 1.21 H new ATOM 0 HB3 GLU A 29 -11.390 12.670 0.917 1.00 1.21 H new ATOM 0 HG2 GLU A 29 -10.146 14.179 2.111 1.00 52.33 H new ATOM 0 HG3 GLU A 29 -11.294 13.716 3.352 1.00 52.33 H new ATOM 482 N ASN A 30 -12.084 11.926 4.850 1.00 12.42 N ATOM 483 CA ASN A 30 -11.776 11.730 6.262 1.00 20.01 C ATOM 484 C ASN A 30 -12.599 10.585 6.844 1.00 20.23 C ATOM 485 O ASN A 30 -12.052 9.643 7.419 1.00 5.35 O ATOM 486 CB ASN A 30 -12.043 13.016 7.048 1.00 71.45 C ATOM 487 CG ASN A 30 -10.855 13.958 7.035 1.00 21.25 C ATOM 488 OD1 ASN A 30 -9.726 13.548 6.762 1.00 15.33 O ATOM 489 ND2 ASN A 30 -11.104 15.228 7.333 1.00 71.22 N ATOM 0 H ASN A 30 -12.608 12.777 4.647 1.00 12.42 H new ATOM 0 HA ASN A 30 -10.720 11.474 6.346 1.00 20.01 H new ATOM 0 HB2 ASN A 30 -12.910 13.523 6.626 1.00 71.45 H new ATOM 0 HB3 ASN A 30 -12.292 12.764 8.079 1.00 71.45 H new ATOM 0 HD21 ASN A 30 -10.344 15.908 7.342 1.00 71.22 H new ATOM 0 HD22 ASN A 30 -12.055 15.523 7.553 1.00 71.22 H new ATOM 496 N CYS A 31 -13.915 10.672 6.691 1.00 54.15 N ATOM 497 CA CYS A 31 -14.815 9.643 7.201 1.00 3.31 C ATOM 498 C CYS A 31 -14.566 8.309 6.505 1.00 42.31 C ATOM 499 O CYS A 31 -14.472 7.266 7.152 1.00 3.44 O ATOM 500 CB CYS A 31 -16.271 10.069 7.009 1.00 71.30 C ATOM 501 SG CYS A 31 -16.961 10.989 8.404 1.00 54.12 S ATOM 0 H CYS A 31 -14.383 11.445 6.218 1.00 54.15 H new ATOM 0 HA CYS A 31 -14.618 9.518 8.266 1.00 3.31 H new ATOM 0 HB2 CYS A 31 -16.343 10.683 6.111 1.00 71.30 H new ATOM 0 HB3 CYS A 31 -16.879 9.181 6.837 1.00 71.30 H new ATOM 0 HG CYS A 31 -16.550 10.460 9.518 1.00 54.12 H new ATOM 507 N LYS A 32 -14.461 8.349 5.181 1.00 54.31 N ATOM 508 CA LYS A 32 -14.224 7.144 4.395 1.00 41.51 C ATOM 509 C LYS A 32 -12.896 6.499 4.777 1.00 64.15 C ATOM 510 O LYS A 32 -12.739 5.280 4.695 1.00 53.43 O ATOM 511 CB LYS A 32 -14.231 7.476 2.901 1.00 74.32 C ATOM 512 CG LYS A 32 -14.523 6.278 2.014 1.00 64.43 C ATOM 513 CD LYS A 32 -13.465 6.112 0.935 1.00 54.51 C ATOM 514 CE LYS A 32 -13.689 7.080 -0.217 1.00 42.02 C ATOM 515 NZ LYS A 32 -12.415 7.702 -0.674 1.00 13.42 N ATOM 0 H LYS A 32 -14.536 9.204 4.629 1.00 54.31 H new ATOM 0 HA LYS A 32 -15.026 6.437 4.608 1.00 41.51 H new ATOM 0 HB2 LYS A 32 -14.977 8.248 2.712 1.00 74.32 H new ATOM 0 HB3 LYS A 32 -13.263 7.894 2.626 1.00 74.32 H new ATOM 0 HG2 LYS A 32 -14.567 5.375 2.623 1.00 64.43 H new ATOM 0 HG3 LYS A 32 -15.502 6.398 1.550 1.00 64.43 H new ATOM 0 HD2 LYS A 32 -12.477 6.277 1.364 1.00 54.51 H new ATOM 0 HD3 LYS A 32 -13.483 5.088 0.561 1.00 54.51 H new ATOM 0 HE2 LYS A 32 -14.155 6.552 -1.049 1.00 42.02 H new ATOM 0 HE3 LYS A 32 -14.383 7.861 0.094 1.00 42.02 H new ATOM 0 HZ1 LYS A 32 -12.610 8.355 -1.460 1.00 13.42 H new ATOM 0 HZ2 LYS A 32 -11.983 8.227 0.113 1.00 13.42 H new ATOM 0 HZ3 LYS A 32 -11.762 6.959 -0.995 1.00 13.42 H new ATOM 529 N LYS A 33 -11.941 7.323 5.195 1.00 12.01 N ATOM 530 CA LYS A 33 -10.627 6.833 5.593 1.00 44.14 C ATOM 531 C LYS A 33 -10.739 5.862 6.764 1.00 50.52 C ATOM 532 O LYS A 33 -9.824 5.082 7.025 1.00 24.03 O ATOM 533 CB LYS A 33 -9.717 8.004 5.972 1.00 64.41 C ATOM 534 CG LYS A 33 -8.660 8.317 4.926 1.00 34.52 C ATOM 535 CD LYS A 33 -7.257 8.117 5.474 1.00 72.01 C ATOM 536 CE LYS A 33 -6.301 9.180 4.957 1.00 45.42 C ATOM 537 NZ LYS A 33 -5.711 9.982 6.065 1.00 50.14 N ATOM 0 H LYS A 33 -12.053 8.334 5.267 1.00 12.01 H new ATOM 0 HA LYS A 33 -10.193 6.303 4.746 1.00 44.14 H new ATOM 0 HB2 LYS A 33 -10.329 8.891 6.134 1.00 64.41 H new ATOM 0 HB3 LYS A 33 -9.224 7.779 6.918 1.00 64.41 H new ATOM 0 HG2 LYS A 33 -8.807 7.677 4.056 1.00 34.52 H new ATOM 0 HG3 LYS A 33 -8.776 9.346 4.587 1.00 34.52 H new ATOM 0 HD2 LYS A 33 -7.283 8.148 6.563 1.00 72.01 H new ATOM 0 HD3 LYS A 33 -6.892 7.129 5.192 1.00 72.01 H new ATOM 0 HE2 LYS A 33 -5.502 8.704 4.388 1.00 45.42 H new ATOM 0 HE3 LYS A 33 -6.830 9.842 4.271 1.00 45.42 H new ATOM 0 HZ1 LYS A 33 -5.065 10.696 5.671 1.00 50.14 H new ATOM 0 HZ2 LYS A 33 -6.471 10.457 6.593 1.00 50.14 H new ATOM 0 HZ3 LYS A 33 -5.184 9.354 6.706 1.00 50.14 H new ATOM 551 N ARG A 34 -11.867 5.916 7.464 1.00 31.34 N ATOM 552 CA ARG A 34 -12.099 5.041 8.607 1.00 24.25 C ATOM 553 C ARG A 34 -12.501 3.642 8.149 1.00 41.21 C ATOM 554 O ARG A 34 -12.677 2.738 8.964 1.00 34.01 O ATOM 555 CB ARG A 34 -13.185 5.625 9.512 1.00 74.21 C ATOM 556 CG ARG A 34 -12.924 7.063 9.927 1.00 1.34 C ATOM 557 CD ARG A 34 -11.824 7.150 10.974 1.00 61.23 C ATOM 558 NE ARG A 34 -11.339 8.516 11.146 1.00 3.52 N ATOM 559 CZ ARG A 34 -11.994 9.448 11.830 1.00 40.24 C ATOM 560 NH1 ARG A 34 -13.155 9.162 12.402 1.00 71.40 N ATOM 561 NH2 ARG A 34 -11.488 10.670 11.942 1.00 24.50 N ATOM 0 H ARG A 34 -12.634 6.556 7.260 1.00 31.34 H new ATOM 0 HA ARG A 34 -11.168 4.967 9.170 1.00 24.25 H new ATOM 0 HB2 ARG A 34 -14.143 5.573 8.995 1.00 74.21 H new ATOM 0 HB3 ARG A 34 -13.271 5.008 10.406 1.00 74.21 H new ATOM 0 HG2 ARG A 34 -12.643 7.650 9.053 1.00 1.34 H new ATOM 0 HG3 ARG A 34 -13.840 7.501 10.323 1.00 1.34 H new ATOM 0 HD2 ARG A 34 -12.200 6.776 11.926 1.00 61.23 H new ATOM 0 HD3 ARG A 34 -10.995 6.505 10.683 1.00 61.23 H new ATOM 0 HE ARG A 34 -10.449 8.769 10.718 1.00 3.52 H new ATOM 0 HH11 ARG A 34 -13.548 8.224 12.318 1.00 71.40 H new ATOM 0 HH12 ARG A 34 -13.656 9.879 12.926 1.00 71.40 H new ATOM 0 HH21 ARG A 34 -10.595 10.895 11.503 1.00 24.50 H new ATOM 0 HH22 ARG A 34 -11.992 11.384 12.467 1.00 24.50 H new ATOM 575 N ASN A 35 -12.644 3.473 6.838 1.00 13.14 N ATOM 576 CA ASN A 35 -13.027 2.185 6.271 1.00 1.13 C ATOM 577 C ASN A 35 -12.102 1.802 5.120 1.00 75.42 C ATOM 578 O ASN A 35 -11.514 0.721 5.117 1.00 44.02 O ATOM 579 CB ASN A 35 -14.476 2.230 5.783 1.00 34.54 C ATOM 580 CG ASN A 35 -15.466 1.879 6.878 1.00 62.42 C ATOM 581 OD1 ASN A 35 -16.046 0.793 6.881 1.00 63.32 O ATOM 582 ND2 ASN A 35 -15.663 2.799 7.814 1.00 12.41 N ATOM 0 H ASN A 35 -12.500 4.211 6.149 1.00 13.14 H new ATOM 0 HA ASN A 35 -12.938 1.430 7.052 1.00 1.13 H new ATOM 0 HB2 ASN A 35 -14.698 3.227 5.402 1.00 34.54 H new ATOM 0 HB3 ASN A 35 -14.598 1.537 4.951 1.00 34.54 H new ATOM 0 HD21 ASN A 35 -16.317 2.620 8.576 1.00 12.41 H new ATOM 0 HD22 ASN A 35 -15.160 3.685 7.772 1.00 12.41 H new ATOM 589 N MET A 36 -11.980 2.695 4.144 1.00 51.23 N ATOM 590 CA MET A 36 -11.126 2.451 2.987 1.00 2.03 C ATOM 591 C MET A 36 -10.164 3.614 2.767 1.00 42.12 C ATOM 592 O MET A 36 -10.322 4.416 1.846 1.00 61.31 O ATOM 593 CB MET A 36 -11.977 2.233 1.735 1.00 43.34 C ATOM 594 CG MET A 36 -11.200 1.645 0.567 1.00 15.53 C ATOM 595 SD MET A 36 -11.063 -0.150 0.658 1.00 31.14 S ATOM 596 CE MET A 36 -10.739 -0.552 -1.057 1.00 31.23 C ATOM 0 H MET A 36 -12.461 3.594 4.131 1.00 51.23 H new ATOM 0 HA MET A 36 -10.542 1.551 3.181 1.00 2.03 H new ATOM 0 HB2 MET A 36 -12.806 1.569 1.980 1.00 43.34 H new ATOM 0 HB3 MET A 36 -12.411 3.185 1.430 1.00 43.34 H new ATOM 0 HG2 MET A 36 -11.690 1.921 -0.366 1.00 15.53 H new ATOM 0 HG3 MET A 36 -10.201 2.081 0.544 1.00 15.53 H new ATOM 0 HE1 MET A 36 -10.629 -1.631 -1.163 1.00 31.23 H new ATOM 0 HE2 MET A 36 -11.569 -0.209 -1.674 1.00 31.23 H new ATOM 0 HE3 MET A 36 -9.821 -0.061 -1.379 1.00 31.23 H new ATOM 606 N PRO A 37 -9.142 3.711 3.631 1.00 75.50 N ATOM 607 CA PRO A 37 -8.135 4.772 3.550 1.00 10.35 C ATOM 608 C PRO A 37 -7.223 4.615 2.339 1.00 40.45 C ATOM 609 O PRO A 37 -7.102 3.526 1.777 1.00 61.13 O ATOM 610 CB PRO A 37 -7.337 4.603 4.846 1.00 50.13 C ATOM 611 CG PRO A 37 -7.513 3.170 5.214 1.00 4.33 C ATOM 612 CD PRO A 37 -8.892 2.790 4.753 1.00 53.12 C ATOM 0 HA PRO A 37 -8.589 5.757 3.438 1.00 10.35 H new ATOM 0 HB2 PRO A 37 -6.285 4.848 4.698 1.00 50.13 H new ATOM 0 HB3 PRO A 37 -7.710 5.262 5.630 1.00 50.13 H new ATOM 0 HG2 PRO A 37 -6.756 2.548 4.735 1.00 4.33 H new ATOM 0 HG3 PRO A 37 -7.408 3.028 6.290 1.00 4.33 H new ATOM 0 HD2 PRO A 37 -8.937 1.748 4.435 1.00 53.12 H new ATOM 0 HD3 PRO A 37 -9.629 2.913 5.546 1.00 53.12 H new ATOM 620 N LEU A 38 -6.583 5.709 1.940 1.00 2.13 N ATOM 621 CA LEU A 38 -5.680 5.693 0.794 1.00 32.23 C ATOM 622 C LEU A 38 -4.238 5.928 1.233 1.00 34.52 C ATOM 623 O LEU A 38 -3.923 5.860 2.421 1.00 50.12 O ATOM 624 CB LEU A 38 -6.096 6.758 -0.222 1.00 63.32 C ATOM 625 CG LEU A 38 -5.999 6.355 -1.694 1.00 60.41 C ATOM 626 CD1 LEU A 38 -7.384 6.107 -2.272 1.00 22.33 C ATOM 627 CD2 LEU A 38 -5.269 7.425 -2.493 1.00 74.52 C ATOM 0 H LEU A 38 -6.673 6.618 2.393 1.00 2.13 H new ATOM 0 HA LEU A 38 -5.742 4.710 0.327 1.00 32.23 H new ATOM 0 HB2 LEU A 38 -7.125 7.049 -0.013 1.00 63.32 H new ATOM 0 HB3 LEU A 38 -5.477 7.642 -0.066 1.00 63.32 H new ATOM 0 HG LEU A 38 -5.429 5.428 -1.760 1.00 60.41 H new ATOM 0 HD11 LEU A 38 -7.295 5.821 -3.320 1.00 22.33 H new ATOM 0 HD12 LEU A 38 -7.871 5.305 -1.717 1.00 22.33 H new ATOM 0 HD13 LEU A 38 -7.979 7.017 -2.193 1.00 22.33 H new ATOM 0 HD21 LEU A 38 -5.209 7.121 -3.538 1.00 74.52 H new ATOM 0 HD22 LEU A 38 -5.811 8.368 -2.419 1.00 74.52 H new ATOM 0 HD23 LEU A 38 -4.263 7.554 -2.094 1.00 74.52 H new ATOM 639 N GLN A 39 -3.369 6.205 0.267 1.00 1.21 N ATOM 640 CA GLN A 39 -1.961 6.452 0.555 1.00 61.40 C ATOM 641 C GLN A 39 -1.769 7.819 1.203 1.00 21.32 C ATOM 642 O GLN A 39 -0.997 7.964 2.151 1.00 11.30 O ATOM 643 CB GLN A 39 -1.133 6.362 -0.728 1.00 61.51 C ATOM 644 CG GLN A 39 0.368 6.399 -0.488 1.00 13.33 C ATOM 645 CD GLN A 39 0.984 5.016 -0.430 1.00 65.32 C ATOM 646 OE1 GLN A 39 0.277 4.008 -0.416 1.00 51.02 O ATOM 647 NE2 GLN A 39 2.311 4.959 -0.397 1.00 12.43 N ATOM 0 H GLN A 39 -3.615 6.264 -0.721 1.00 1.21 H new ATOM 0 HA GLN A 39 -1.620 5.688 1.254 1.00 61.40 H new ATOM 0 HB2 GLN A 39 -1.386 5.439 -1.250 1.00 61.51 H new ATOM 0 HB3 GLN A 39 -1.408 7.186 -1.386 1.00 61.51 H new ATOM 0 HG2 GLN A 39 0.845 6.972 -1.283 1.00 13.33 H new ATOM 0 HG3 GLN A 39 0.570 6.922 0.447 1.00 13.33 H new ATOM 0 HE21 GLN A 39 2.859 5.819 -0.410 1.00 12.43 H new ATOM 0 HE22 GLN A 39 2.782 4.055 -0.358 1.00 12.43 H new ATOM 656 N SER A 40 -2.476 8.818 0.685 1.00 2.24 N ATOM 657 CA SER A 40 -2.380 10.175 1.211 1.00 21.12 C ATOM 658 C SER A 40 -3.622 10.985 0.854 1.00 52.14 C ATOM 659 O SER A 40 -4.484 11.227 1.700 1.00 63.43 O ATOM 660 CB SER A 40 -1.130 10.869 0.666 1.00 72.22 C ATOM 661 OG SER A 40 0.038 10.401 1.317 1.00 21.11 O ATOM 0 H SER A 40 -3.121 8.714 -0.098 1.00 2.24 H new ATOM 0 HA SER A 40 -2.308 10.113 2.297 1.00 21.12 H new ATOM 0 HB2 SER A 40 -1.049 10.690 -0.406 1.00 72.22 H new ATOM 0 HB3 SER A 40 -1.220 11.947 0.803 1.00 72.22 H new ATOM 0 HG SER A 40 -0.163 9.567 1.791 1.00 21.11 H new ATOM 667 N ILE A 41 -3.707 11.402 -0.405 1.00 62.12 N ATOM 668 CA ILE A 41 -4.843 12.184 -0.876 1.00 34.13 C ATOM 669 C ILE A 41 -5.647 11.413 -1.918 1.00 12.44 C ATOM 670 O ILE A 41 -5.310 11.385 -3.102 1.00 14.45 O ATOM 671 CB ILE A 41 -4.391 13.526 -1.482 1.00 33.43 C ATOM 672 CG1 ILE A 41 -3.595 14.332 -0.454 1.00 23.21 C ATOM 673 CG2 ILE A 41 -5.595 14.319 -1.968 1.00 43.31 C ATOM 674 CD1 ILE A 41 -2.276 14.850 -0.983 1.00 24.30 C ATOM 0 H ILE A 41 -3.002 11.211 -1.117 1.00 62.12 H new ATOM 0 HA ILE A 41 -5.472 12.381 -0.008 1.00 34.13 H new ATOM 0 HB ILE A 41 -3.745 13.324 -2.336 1.00 33.43 H new ATOM 0 HG12 ILE A 41 -4.199 15.175 -0.119 1.00 23.21 H new ATOM 0 HG13 ILE A 41 -3.407 13.707 0.419 1.00 23.21 H new ATOM 0 HG21 ILE A 41 -5.260 15.265 -2.394 1.00 43.31 H new ATOM 0 HG22 ILE A 41 -6.125 13.746 -2.729 1.00 43.31 H new ATOM 0 HG23 ILE A 41 -6.264 14.515 -1.130 1.00 43.31 H new ATOM 0 HD11 ILE A 41 -1.766 15.412 -0.201 1.00 24.30 H new ATOM 0 HD12 ILE A 41 -1.653 14.011 -1.292 1.00 24.30 H new ATOM 0 HD13 ILE A 41 -2.457 15.501 -1.838 1.00 24.30 H new ATOM 686 N PRO A 42 -6.737 10.774 -1.469 1.00 74.53 N ATOM 687 CA PRO A 42 -7.614 9.993 -2.347 1.00 60.42 C ATOM 688 C PRO A 42 -8.406 10.873 -3.308 1.00 3.11 C ATOM 689 O PRO A 42 -9.285 11.626 -2.892 1.00 12.14 O ATOM 690 CB PRO A 42 -8.556 9.286 -1.370 1.00 33.33 C ATOM 691 CG PRO A 42 -8.572 10.157 -0.161 1.00 64.23 C ATOM 692 CD PRO A 42 -7.199 10.764 -0.071 1.00 22.31 C ATOM 0 HA PRO A 42 -7.050 9.312 -2.985 1.00 60.42 H new ATOM 0 HB2 PRO A 42 -9.555 9.177 -1.792 1.00 33.33 H new ATOM 0 HB3 PRO A 42 -8.199 8.284 -1.131 1.00 33.33 H new ATOM 0 HG2 PRO A 42 -9.336 10.930 -0.247 1.00 64.23 H new ATOM 0 HG3 PRO A 42 -8.803 9.579 0.734 1.00 64.23 H new ATOM 0 HD2 PRO A 42 -7.231 11.769 0.349 1.00 22.31 H new ATOM 0 HD3 PRO A 42 -6.540 10.174 0.566 1.00 22.31 H new ATOM 700 N GLU A 43 -8.087 10.772 -4.595 1.00 14.33 N ATOM 701 CA GLU A 43 -8.770 11.561 -5.614 1.00 31.22 C ATOM 702 C GLU A 43 -8.751 10.843 -6.961 1.00 4.45 C ATOM 703 O GLU A 43 -7.758 10.211 -7.324 1.00 54.35 O ATOM 704 CB GLU A 43 -8.116 12.938 -5.748 1.00 34.23 C ATOM 705 CG GLU A 43 -8.632 13.744 -6.928 1.00 2.11 C ATOM 706 CD GLU A 43 -10.137 13.923 -6.899 1.00 73.34 C ATOM 707 OE1 GLU A 43 -10.649 14.482 -5.907 1.00 31.43 O ATOM 708 OE2 GLU A 43 -10.804 13.504 -7.869 1.00 25.32 O ATOM 0 H GLU A 43 -7.361 10.153 -4.956 1.00 14.33 H new ATOM 0 HA GLU A 43 -9.807 11.688 -5.304 1.00 31.22 H new ATOM 0 HB2 GLU A 43 -8.286 13.502 -4.831 1.00 34.23 H new ATOM 0 HB3 GLU A 43 -7.038 12.811 -5.849 1.00 34.23 H new ATOM 0 HG2 GLU A 43 -8.153 14.723 -6.931 1.00 2.11 H new ATOM 0 HG3 GLU A 43 -8.347 13.247 -7.855 1.00 2.11 H new ATOM 715 N ILE A 44 -9.853 10.946 -7.695 1.00 33.23 N ATOM 716 CA ILE A 44 -9.963 10.308 -9.001 1.00 21.34 C ATOM 717 C ILE A 44 -10.806 11.148 -9.954 1.00 30.21 C ATOM 718 O ILE A 44 -12.001 11.343 -9.735 1.00 61.42 O ATOM 719 CB ILE A 44 -10.581 8.901 -8.890 1.00 11.41 C ATOM 720 CG1 ILE A 44 -9.704 8.002 -8.016 1.00 51.31 C ATOM 721 CG2 ILE A 44 -10.762 8.292 -10.272 1.00 51.11 C ATOM 722 CD1 ILE A 44 -10.043 8.075 -6.544 1.00 21.44 C ATOM 0 H ILE A 44 -10.683 11.465 -7.408 1.00 33.23 H new ATOM 0 HA ILE A 44 -8.951 10.221 -9.396 1.00 21.34 H new ATOM 0 HB ILE A 44 -11.561 8.987 -8.421 1.00 11.41 H new ATOM 0 HG12 ILE A 44 -9.805 6.970 -8.353 1.00 51.31 H new ATOM 0 HG13 ILE A 44 -8.660 8.281 -8.154 1.00 51.31 H new ATOM 0 HG21 ILE A 44 -11.199 7.298 -10.177 1.00 51.11 H new ATOM 0 HG22 ILE A 44 -11.423 8.924 -10.865 1.00 51.11 H new ATOM 0 HG23 ILE A 44 -9.793 8.216 -10.766 1.00 51.11 H new ATOM 0 HD11 ILE A 44 -9.382 7.413 -5.985 1.00 21.44 H new ATOM 0 HD12 ILE A 44 -9.914 9.098 -6.191 1.00 21.44 H new ATOM 0 HD13 ILE A 44 -11.078 7.767 -6.393 1.00 21.44 H new ATOM 734 N GLY A 45 -10.175 11.642 -11.015 1.00 2.34 N ATOM 735 CA GLY A 45 -10.883 12.454 -11.987 1.00 45.40 C ATOM 736 C GLY A 45 -10.583 13.933 -11.836 1.00 33.45 C ATOM 737 O GLY A 45 -9.717 14.471 -12.524 1.00 15.02 O ATOM 0 H GLY A 45 -9.186 11.494 -11.219 1.00 2.34 H new ATOM 0 HA2 GLY A 45 -10.611 12.132 -12.992 1.00 45.40 H new ATOM 0 HA3 GLY A 45 -11.955 12.291 -11.880 1.00 45.40 H new ATOM 741 N ASN A 46 -11.303 14.591 -10.933 1.00 20.14 N ATOM 742 CA ASN A 46 -11.111 16.017 -10.695 1.00 34.04 C ATOM 743 C ASN A 46 -12.067 16.522 -9.618 1.00 21.14 C ATOM 744 O ASN A 46 -12.636 17.607 -9.738 1.00 34.32 O ATOM 745 CB ASN A 46 -11.323 16.804 -11.989 1.00 42.25 C ATOM 746 CG ASN A 46 -10.290 17.899 -12.175 1.00 53.33 C ATOM 747 OD1 ASN A 46 -10.014 18.670 -11.256 1.00 20.22 O ATOM 748 ND2 ASN A 46 -9.715 17.973 -13.370 1.00 3.02 N ATOM 0 H ASN A 46 -12.024 14.160 -10.355 1.00 20.14 H new ATOM 0 HA ASN A 46 -10.088 16.168 -10.349 1.00 34.04 H new ATOM 0 HB2 ASN A 46 -11.281 16.121 -12.837 1.00 42.25 H new ATOM 0 HB3 ASN A 46 -12.320 17.245 -11.984 1.00 42.25 H new ATOM 0 HD21 ASN A 46 -9.014 18.690 -13.555 1.00 3.02 H new ATOM 0 HD22 ASN A 46 -9.975 17.313 -14.103 1.00 3.02 H new ATOM 755 N ARG A 47 -12.237 15.728 -8.566 1.00 24.15 N ATOM 756 CA ARG A 47 -13.123 16.094 -7.467 1.00 71.34 C ATOM 757 C ARG A 47 -14.569 16.193 -7.946 1.00 3.12 C ATOM 758 O ARG A 47 -14.942 17.142 -8.636 1.00 12.14 O ATOM 759 CB ARG A 47 -12.686 17.424 -6.852 1.00 43.32 C ATOM 760 CG ARG A 47 -12.224 17.305 -5.409 1.00 14.51 C ATOM 761 CD ARG A 47 -11.092 18.273 -5.105 1.00 5.34 C ATOM 762 NE ARG A 47 -9.898 17.584 -4.621 1.00 11.30 N ATOM 763 CZ ARG A 47 -9.011 17.003 -5.420 1.00 63.41 C ATOM 764 NH1 ARG A 47 -9.181 17.027 -6.735 1.00 34.13 N ATOM 765 NH2 ARG A 47 -7.950 16.395 -4.905 1.00 4.24 N ATOM 0 H ARG A 47 -11.773 14.827 -8.451 1.00 24.15 H new ATOM 0 HA ARG A 47 -13.061 15.314 -6.708 1.00 71.34 H new ATOM 0 HB2 ARG A 47 -11.877 17.843 -7.450 1.00 43.32 H new ATOM 0 HB3 ARG A 47 -13.517 18.128 -6.902 1.00 43.32 H new ATOM 0 HG2 ARG A 47 -13.062 17.502 -4.740 1.00 14.51 H new ATOM 0 HG3 ARG A 47 -11.894 16.285 -5.215 1.00 14.51 H new ATOM 0 HD2 ARG A 47 -10.846 18.837 -6.005 1.00 5.34 H new ATOM 0 HD3 ARG A 47 -11.423 18.994 -4.357 1.00 5.34 H new ATOM 0 HE ARG A 47 -9.737 17.547 -3.614 1.00 11.30 H new ATOM 0 HH11 ARG A 47 -9.995 17.493 -7.136 1.00 34.13 H new ATOM 0 HH12 ARG A 47 -8.498 16.580 -7.346 1.00 34.13 H new ATOM 0 HH21 ARG A 47 -7.815 16.374 -3.894 1.00 4.24 H new ATOM 0 HH22 ARG A 47 -7.269 15.949 -5.520 1.00 4.24 H new ATOM 779 N LYS A 48 -15.378 15.207 -7.575 1.00 72.22 N ATOM 780 CA LYS A 48 -16.783 15.182 -7.965 1.00 10.02 C ATOM 781 C LYS A 48 -17.646 14.594 -6.853 1.00 23.22 C ATOM 782 O LYS A 48 -18.809 14.253 -7.072 1.00 25.25 O ATOM 783 CB LYS A 48 -16.963 14.369 -9.249 1.00 32.02 C ATOM 784 CG LYS A 48 -16.300 14.995 -10.463 1.00 52.23 C ATOM 785 CD LYS A 48 -14.971 14.330 -10.778 1.00 71.54 C ATOM 786 CE LYS A 48 -14.997 13.650 -12.139 1.00 43.20 C ATOM 787 NZ LYS A 48 -13.706 13.813 -12.865 1.00 34.15 N ATOM 0 H LYS A 48 -15.085 14.414 -7.004 1.00 72.22 H new ATOM 0 HA LYS A 48 -17.103 16.209 -8.145 1.00 10.02 H new ATOM 0 HB2 LYS A 48 -16.554 13.370 -9.097 1.00 32.02 H new ATOM 0 HB3 LYS A 48 -18.028 14.251 -9.448 1.00 32.02 H new ATOM 0 HG2 LYS A 48 -16.963 14.911 -11.324 1.00 52.23 H new ATOM 0 HG3 LYS A 48 -16.142 16.059 -10.284 1.00 52.23 H new ATOM 0 HD2 LYS A 48 -14.176 15.075 -10.758 1.00 71.54 H new ATOM 0 HD3 LYS A 48 -14.739 13.595 -10.007 1.00 71.54 H new ATOM 0 HE2 LYS A 48 -15.210 12.589 -12.011 1.00 43.20 H new ATOM 0 HE3 LYS A 48 -15.806 14.068 -12.738 1.00 43.20 H new ATOM 0 HZ1 LYS A 48 -13.868 14.340 -13.747 1.00 34.15 H new ATOM 0 HZ2 LYS A 48 -13.035 14.337 -12.267 1.00 34.15 H new ATOM 0 HZ3 LYS A 48 -13.313 12.877 -13.088 1.00 34.15 H new ATOM 801 N ILE A 49 -17.070 14.479 -5.661 1.00 44.41 N ATOM 802 CA ILE A 49 -17.787 13.935 -4.515 1.00 54.02 C ATOM 803 C ILE A 49 -18.556 15.027 -3.779 1.00 33.21 C ATOM 804 O ILE A 49 -19.242 14.760 -2.793 1.00 4.02 O ATOM 805 CB ILE A 49 -16.829 13.242 -3.528 1.00 15.40 C ATOM 806 CG1 ILE A 49 -15.811 12.388 -4.286 1.00 11.32 C ATOM 807 CG2 ILE A 49 -17.612 12.391 -2.540 1.00 32.14 C ATOM 808 CD1 ILE A 49 -14.456 13.046 -4.426 1.00 71.10 C ATOM 0 H ILE A 49 -16.108 14.756 -5.464 1.00 44.41 H new ATOM 0 HA ILE A 49 -18.490 13.198 -4.903 1.00 54.02 H new ATOM 0 HB ILE A 49 -16.289 14.007 -2.970 1.00 15.40 H new ATOM 0 HG12 ILE A 49 -15.692 11.435 -3.770 1.00 11.32 H new ATOM 0 HG13 ILE A 49 -16.202 12.166 -5.279 1.00 11.32 H new ATOM 0 HG21 ILE A 49 -16.921 11.908 -1.849 1.00 32.14 H new ATOM 0 HG22 ILE A 49 -18.301 13.024 -1.981 1.00 32.14 H new ATOM 0 HG23 ILE A 49 -18.175 11.631 -3.081 1.00 32.14 H new ATOM 0 HD11 ILE A 49 -13.785 12.384 -4.974 1.00 71.10 H new ATOM 0 HD12 ILE A 49 -14.562 13.985 -4.969 1.00 71.10 H new ATOM 0 HD13 ILE A 49 -14.043 13.243 -3.437 1.00 71.10 H new ATOM 820 N ASN A 50 -18.438 16.258 -4.267 1.00 34.44 N ATOM 821 CA ASN A 50 -19.124 17.391 -3.656 1.00 24.35 C ATOM 822 C ASN A 50 -20.613 17.367 -3.984 1.00 52.54 C ATOM 823 O ASN A 50 -21.025 16.832 -5.014 1.00 64.45 O ATOM 824 CB ASN A 50 -18.505 18.706 -4.134 1.00 22.24 C ATOM 825 CG ASN A 50 -19.050 19.907 -3.386 1.00 13.02 C ATOM 826 OD1 ASN A 50 -19.388 19.816 -2.205 1.00 52.44 O ATOM 827 ND2 ASN A 50 -19.139 21.041 -4.072 1.00 21.42 N ATOM 0 H ASN A 50 -17.874 16.496 -5.083 1.00 34.44 H new ATOM 0 HA ASN A 50 -19.008 17.314 -2.575 1.00 24.35 H new ATOM 0 HB2 ASN A 50 -17.423 18.663 -4.007 1.00 22.24 H new ATOM 0 HB3 ASN A 50 -18.696 18.828 -5.200 1.00 22.24 H new ATOM 0 HD21 ASN A 50 -19.499 21.882 -3.622 1.00 21.42 H new ATOM 0 HD22 ASN A 50 -18.847 21.070 -5.049 1.00 21.42 H new ATOM 834 N LEU A 51 -21.417 17.952 -3.103 1.00 51.33 N ATOM 835 CA LEU A 51 -22.862 18.000 -3.300 1.00 21.15 C ATOM 836 C LEU A 51 -23.229 18.981 -4.408 1.00 2.41 C ATOM 837 O LEU A 51 -24.310 18.900 -4.991 1.00 13.24 O ATOM 838 CB LEU A 51 -23.560 18.398 -1.998 1.00 53.12 C ATOM 839 CG LEU A 51 -24.888 17.698 -1.708 1.00 13.13 C ATOM 840 CD1 LEU A 51 -24.648 16.271 -1.239 1.00 14.51 C ATOM 841 CD2 LEU A 51 -25.685 18.476 -0.670 1.00 72.52 C ATOM 0 H LEU A 51 -21.093 18.400 -2.246 1.00 51.33 H new ATOM 0 HA LEU A 51 -23.197 17.006 -3.596 1.00 21.15 H new ATOM 0 HB2 LEU A 51 -22.880 18.201 -1.169 1.00 53.12 H new ATOM 0 HB3 LEU A 51 -23.736 19.474 -2.017 1.00 53.12 H new ATOM 0 HG LEU A 51 -25.468 17.663 -2.630 1.00 13.13 H new ATOM 0 HD11 LEU A 51 -25.604 15.789 -1.037 1.00 14.51 H new ATOM 0 HD12 LEU A 51 -24.119 15.717 -2.014 1.00 14.51 H new ATOM 0 HD13 LEU A 51 -24.049 16.283 -0.329 1.00 14.51 H new ATOM 0 HD21 LEU A 51 -26.627 17.964 -0.476 1.00 72.52 H new ATOM 0 HD22 LEU A 51 -25.111 18.543 0.254 1.00 72.52 H new ATOM 0 HD23 LEU A 51 -25.888 19.479 -1.044 1.00 72.52 H new ATOM 853 N PHE A 52 -22.320 19.908 -4.696 1.00 33.43 N ATOM 854 CA PHE A 52 -22.548 20.904 -5.735 1.00 44.45 C ATOM 855 C PHE A 52 -21.909 20.472 -7.052 1.00 55.03 C ATOM 856 O PHE A 52 -22.438 20.746 -8.130 1.00 61.32 O ATOM 857 CB PHE A 52 -21.984 22.260 -5.304 1.00 14.12 C ATOM 858 CG PHE A 52 -22.969 23.387 -5.433 1.00 33.24 C ATOM 859 CD1 PHE A 52 -24.178 23.348 -4.757 1.00 11.45 C ATOM 860 CD2 PHE A 52 -22.686 24.484 -6.229 1.00 50.42 C ATOM 861 CE1 PHE A 52 -25.086 24.384 -4.874 1.00 73.40 C ATOM 862 CE2 PHE A 52 -23.590 25.523 -6.350 1.00 72.22 C ATOM 863 CZ PHE A 52 -24.792 25.473 -5.671 1.00 24.42 C ATOM 0 H PHE A 52 -21.419 19.989 -4.224 1.00 33.43 H new ATOM 0 HA PHE A 52 -23.624 20.996 -5.885 1.00 44.45 H new ATOM 0 HB2 PHE A 52 -21.653 22.194 -4.268 1.00 14.12 H new ATOM 0 HB3 PHE A 52 -21.104 22.486 -5.906 1.00 14.12 H new ATOM 0 HD1 PHE A 52 -24.413 22.499 -4.132 1.00 11.45 H new ATOM 0 HD2 PHE A 52 -21.748 24.529 -6.762 1.00 50.42 H new ATOM 0 HE1 PHE A 52 -26.025 24.342 -4.342 1.00 73.40 H new ATOM 0 HE2 PHE A 52 -23.357 26.373 -6.975 1.00 72.22 H new ATOM 0 HZ PHE A 52 -25.500 26.283 -5.763 1.00 24.42 H new ATOM 873 N TYR A 53 -20.770 19.796 -6.957 1.00 31.14 N ATOM 874 CA TYR A 53 -20.057 19.328 -8.139 1.00 74.23 C ATOM 875 C TYR A 53 -20.776 18.141 -8.774 1.00 24.31 C ATOM 876 O TYR A 53 -21.038 18.129 -9.977 1.00 42.34 O ATOM 877 CB TYR A 53 -18.624 18.936 -7.775 1.00 74.12 C ATOM 878 CG TYR A 53 -17.654 19.048 -8.929 1.00 72.14 C ATOM 879 CD1 TYR A 53 -17.806 18.267 -10.069 1.00 4.15 C ATOM 880 CD2 TYR A 53 -16.586 19.936 -8.881 1.00 33.30 C ATOM 881 CE1 TYR A 53 -16.921 18.366 -11.125 1.00 30.21 C ATOM 882 CE2 TYR A 53 -15.698 20.042 -9.933 1.00 44.13 C ATOM 883 CZ TYR A 53 -15.869 19.255 -11.053 1.00 21.32 C ATOM 884 OH TYR A 53 -14.986 19.357 -12.104 1.00 33.04 O ATOM 0 H TYR A 53 -20.320 19.560 -6.073 1.00 31.14 H new ATOM 0 HA TYR A 53 -20.030 20.143 -8.862 1.00 74.23 H new ATOM 0 HB2 TYR A 53 -18.279 19.570 -6.958 1.00 74.12 H new ATOM 0 HB3 TYR A 53 -18.619 17.910 -7.406 1.00 74.12 H new ATOM 0 HD1 TYR A 53 -18.630 17.571 -10.130 1.00 4.15 H new ATOM 0 HD2 TYR A 53 -16.448 20.554 -8.006 1.00 33.30 H new ATOM 0 HE1 TYR A 53 -17.052 17.750 -12.003 1.00 30.21 H new ATOM 0 HE2 TYR A 53 -14.874 20.738 -9.879 1.00 44.13 H new ATOM 0 HH TYR A 53 -14.304 20.029 -11.894 1.00 33.04 H new ATOM 894 N LEU A 54 -21.092 17.143 -7.956 1.00 23.02 N ATOM 895 CA LEU A 54 -21.781 15.950 -8.435 1.00 23.31 C ATOM 896 C LEU A 54 -23.133 16.309 -9.043 1.00 65.14 C ATOM 897 O LEU A 54 -23.600 15.653 -9.975 1.00 23.45 O ATOM 898 CB LEU A 54 -21.972 14.953 -7.290 1.00 55.33 C ATOM 899 CG LEU A 54 -22.108 13.485 -7.694 1.00 63.23 C ATOM 900 CD1 LEU A 54 -21.232 12.606 -6.814 1.00 50.34 C ATOM 901 CD2 LEU A 54 -23.561 13.042 -7.615 1.00 73.42 C ATOM 0 H LEU A 54 -20.882 17.136 -6.958 1.00 23.02 H new ATOM 0 HA LEU A 54 -21.166 15.491 -9.209 1.00 23.31 H new ATOM 0 HB2 LEU A 54 -21.125 15.045 -6.610 1.00 55.33 H new ATOM 0 HB3 LEU A 54 -22.863 15.239 -6.731 1.00 55.33 H new ATOM 0 HG LEU A 54 -21.773 13.380 -8.726 1.00 63.23 H new ATOM 0 HD11 LEU A 54 -21.342 11.564 -7.116 1.00 50.34 H new ATOM 0 HD12 LEU A 54 -20.190 12.907 -6.921 1.00 50.34 H new ATOM 0 HD13 LEU A 54 -21.536 12.716 -5.773 1.00 50.34 H new ATOM 0 HD21 LEU A 54 -23.638 11.994 -7.906 1.00 73.42 H new ATOM 0 HD22 LEU A 54 -23.923 13.163 -6.594 1.00 73.42 H new ATOM 0 HD23 LEU A 54 -24.164 13.651 -8.288 1.00 73.42 H new ATOM 913 N TYR A 55 -23.755 17.356 -8.513 1.00 22.42 N ATOM 914 CA TYR A 55 -25.053 17.802 -9.003 1.00 52.43 C ATOM 915 C TYR A 55 -24.906 18.568 -10.315 1.00 31.22 C ATOM 916 O TYR A 55 -25.649 18.336 -11.268 1.00 41.02 O ATOM 917 CB TYR A 55 -25.740 18.684 -7.959 1.00 53.34 C ATOM 918 CG TYR A 55 -27.238 18.782 -8.140 1.00 73.54 C ATOM 919 CD1 TYR A 55 -28.034 17.642 -8.132 1.00 40.40 C ATOM 920 CD2 TYR A 55 -27.858 20.012 -8.321 1.00 21.14 C ATOM 921 CE1 TYR A 55 -29.403 17.726 -8.298 1.00 0.13 C ATOM 922 CE2 TYR A 55 -29.226 20.105 -8.485 1.00 52.35 C ATOM 923 CZ TYR A 55 -29.994 18.960 -8.474 1.00 34.35 C ATOM 924 OH TYR A 55 -31.358 19.048 -8.639 1.00 4.41 O ATOM 0 H TYR A 55 -23.381 17.912 -7.744 1.00 22.42 H new ATOM 0 HA TYR A 55 -25.667 16.920 -9.185 1.00 52.43 H new ATOM 0 HB2 TYR A 55 -25.528 18.289 -6.966 1.00 53.34 H new ATOM 0 HB3 TYR A 55 -25.311 19.685 -8.002 1.00 53.34 H new ATOM 0 HD1 TYR A 55 -27.574 16.675 -7.994 1.00 40.40 H new ATOM 0 HD2 TYR A 55 -27.260 20.911 -8.334 1.00 21.14 H new ATOM 0 HE1 TYR A 55 -30.007 16.831 -8.290 1.00 0.13 H new ATOM 0 HE2 TYR A 55 -29.692 21.070 -8.621 1.00 52.35 H new ATOM 0 HH TYR A 55 -31.614 19.987 -8.749 1.00 4.41 H new ATOM 934 N MET A 56 -23.941 19.481 -10.354 1.00 72.13 N ATOM 935 CA MET A 56 -23.694 20.280 -11.549 1.00 13.00 C ATOM 936 C MET A 56 -23.366 19.388 -12.742 1.00 32.43 C ATOM 937 O MET A 56 -23.811 19.642 -13.862 1.00 11.53 O ATOM 938 CB MET A 56 -22.549 21.264 -11.303 1.00 21.23 C ATOM 939 CG MET A 56 -23.017 22.658 -10.918 1.00 31.22 C ATOM 940 SD MET A 56 -22.709 23.876 -12.211 1.00 71.22 S ATOM 941 CE MET A 56 -24.183 23.688 -13.211 1.00 71.23 C ATOM 0 H MET A 56 -23.318 19.686 -9.573 1.00 72.13 H new ATOM 0 HA MET A 56 -24.602 20.839 -11.775 1.00 13.00 H new ATOM 0 HB2 MET A 56 -21.909 20.873 -10.512 1.00 21.23 H new ATOM 0 HB3 MET A 56 -21.938 21.331 -12.203 1.00 21.23 H new ATOM 0 HG2 MET A 56 -24.084 22.631 -10.697 1.00 31.22 H new ATOM 0 HG3 MET A 56 -22.510 22.968 -10.004 1.00 31.22 H new ATOM 0 HE1 MET A 56 -24.141 24.377 -14.054 1.00 71.23 H new ATOM 0 HE2 MET A 56 -24.243 22.665 -13.582 1.00 71.23 H new ATOM 0 HE3 MET A 56 -25.063 23.907 -12.607 1.00 71.23 H new ATOM 951 N LEU A 57 -22.585 18.342 -12.495 1.00 75.50 N ATOM 952 CA LEU A 57 -22.197 17.411 -13.549 1.00 74.13 C ATOM 953 C LEU A 57 -23.420 16.714 -14.138 1.00 50.41 C ATOM 954 O LEU A 57 -23.585 16.651 -15.356 1.00 63.24 O ATOM 955 CB LEU A 57 -21.217 16.371 -13.003 1.00 74.04 C ATOM 956 CG LEU A 57 -20.207 15.810 -14.005 1.00 11.11 C ATOM 957 CD1 LEU A 57 -19.085 16.808 -14.247 1.00 31.21 C ATOM 958 CD2 LEU A 57 -19.647 14.484 -13.511 1.00 41.14 C ATOM 0 H LEU A 57 -22.208 18.117 -11.574 1.00 75.50 H new ATOM 0 HA LEU A 57 -21.710 17.980 -14.341 1.00 74.13 H new ATOM 0 HB2 LEU A 57 -20.667 16.819 -12.175 1.00 74.04 H new ATOM 0 HB3 LEU A 57 -21.791 15.540 -12.592 1.00 74.04 H new ATOM 0 HG LEU A 57 -20.720 15.635 -14.951 1.00 11.11 H new ATOM 0 HD11 LEU A 57 -18.376 16.392 -14.963 1.00 31.21 H new ATOM 0 HD12 LEU A 57 -19.501 17.734 -14.645 1.00 31.21 H new ATOM 0 HD13 LEU A 57 -18.573 17.015 -13.307 1.00 31.21 H new ATOM 0 HD21 LEU A 57 -18.930 14.099 -14.236 1.00 41.14 H new ATOM 0 HD22 LEU A 57 -19.149 14.634 -12.553 1.00 41.14 H new ATOM 0 HD23 LEU A 57 -20.460 13.768 -13.390 1.00 41.14 H new ATOM 970 N VAL A 58 -24.277 16.195 -13.264 1.00 64.25 N ATOM 971 CA VAL A 58 -25.486 15.506 -13.697 1.00 75.23 C ATOM 972 C VAL A 58 -26.375 16.425 -14.528 1.00 31.03 C ATOM 973 O VAL A 58 -26.820 16.058 -15.615 1.00 31.54 O ATOM 974 CB VAL A 58 -26.293 14.979 -12.495 1.00 62.24 C ATOM 975 CG1 VAL A 58 -27.526 14.225 -12.969 1.00 20.41 C ATOM 976 CG2 VAL A 58 -25.421 14.094 -11.617 1.00 15.25 C ATOM 0 H VAL A 58 -24.156 16.239 -12.252 1.00 64.25 H new ATOM 0 HA VAL A 58 -25.167 14.662 -14.309 1.00 75.23 H new ATOM 0 HB VAL A 58 -26.624 15.830 -11.900 1.00 62.24 H new ATOM 0 HG11 VAL A 58 -28.083 13.860 -12.106 1.00 20.41 H new ATOM 0 HG12 VAL A 58 -28.158 14.893 -13.554 1.00 20.41 H new ATOM 0 HG13 VAL A 58 -27.221 13.381 -13.587 1.00 20.41 H new ATOM 0 HG21 VAL A 58 -26.006 13.730 -10.772 1.00 15.25 H new ATOM 0 HG22 VAL A 58 -25.059 13.247 -12.200 1.00 15.25 H new ATOM 0 HG23 VAL A 58 -24.572 14.670 -11.249 1.00 15.25 H new ATOM 986 N GLN A 59 -26.629 17.622 -14.008 1.00 64.31 N ATOM 987 CA GLN A 59 -27.465 18.594 -14.702 1.00 63.13 C ATOM 988 C GLN A 59 -26.862 18.964 -16.054 1.00 30.15 C ATOM 989 O GLN A 59 -27.583 19.203 -17.023 1.00 1.05 O ATOM 990 CB GLN A 59 -27.640 19.850 -13.847 1.00 43.34 C ATOM 991 CG GLN A 59 -28.588 20.872 -14.454 1.00 62.13 C ATOM 992 CD GLN A 59 -28.475 22.234 -13.799 1.00 11.21 C ATOM 993 OE1 GLN A 59 -29.299 22.603 -12.961 1.00 63.11 O ATOM 994 NE2 GLN A 59 -27.452 22.991 -14.178 1.00 23.23 N ATOM 0 H GLN A 59 -26.268 17.941 -13.109 1.00 64.31 H new ATOM 0 HA GLN A 59 -28.441 18.140 -14.872 1.00 63.13 H new ATOM 0 HB2 GLN A 59 -28.011 19.561 -12.864 1.00 43.34 H new ATOM 0 HB3 GLN A 59 -26.666 20.315 -13.696 1.00 43.34 H new ATOM 0 HG2 GLN A 59 -28.380 20.967 -15.520 1.00 62.13 H new ATOM 0 HG3 GLN A 59 -29.613 20.512 -14.360 1.00 62.13 H new ATOM 0 HE21 GLN A 59 -26.793 22.646 -14.876 1.00 23.23 H new ATOM 0 HE22 GLN A 59 -27.325 23.918 -13.771 1.00 23.23 H new ATOM 1003 N LYS A 60 -25.535 19.010 -16.111 1.00 74.44 N ATOM 1004 CA LYS A 60 -24.834 19.350 -17.344 1.00 31.43 C ATOM 1005 C LYS A 60 -24.991 18.243 -18.382 1.00 3.02 C ATOM 1006 O LYS A 60 -25.103 18.512 -19.578 1.00 74.20 O ATOM 1007 CB LYS A 60 -23.350 19.591 -17.060 1.00 42.11 C ATOM 1008 CG LYS A 60 -22.981 21.061 -16.962 1.00 3.23 C ATOM 1009 CD LYS A 60 -21.478 21.252 -16.848 1.00 45.45 C ATOM 1010 CE LYS A 60 -20.955 22.206 -17.912 1.00 73.11 C ATOM 1011 NZ LYS A 60 -21.059 21.623 -19.279 1.00 4.04 N ATOM 0 H LYS A 60 -24.924 18.816 -15.318 1.00 74.44 H new ATOM 0 HA LYS A 60 -25.274 20.263 -17.744 1.00 31.43 H new ATOM 0 HB2 LYS A 60 -23.082 19.095 -16.127 1.00 42.11 H new ATOM 0 HB3 LYS A 60 -22.758 19.128 -17.849 1.00 42.11 H new ATOM 0 HG2 LYS A 60 -23.350 21.589 -17.841 1.00 3.23 H new ATOM 0 HG3 LYS A 60 -23.472 21.503 -16.095 1.00 3.23 H new ATOM 0 HD2 LYS A 60 -21.233 21.639 -15.859 1.00 45.45 H new ATOM 0 HD3 LYS A 60 -20.979 20.288 -16.945 1.00 45.45 H new ATOM 0 HE2 LYS A 60 -21.517 23.139 -17.871 1.00 73.11 H new ATOM 0 HE3 LYS A 60 -19.914 22.451 -17.700 1.00 73.11 H new ATOM 0 HZ1 LYS A 60 -20.515 22.205 -19.947 1.00 4.04 H new ATOM 0 HZ2 LYS A 60 -20.678 20.655 -19.274 1.00 4.04 H new ATOM 0 HZ3 LYS A 60 -22.057 21.601 -19.572 1.00 4.04 H new ATOM 1025 N PHE A 61 -24.998 16.998 -17.917 1.00 12.24 N ATOM 1026 CA PHE A 61 -25.142 15.851 -18.805 1.00 64.21 C ATOM 1027 C PHE A 61 -26.588 15.697 -19.266 1.00 12.23 C ATOM 1028 O PHE A 61 -26.889 14.890 -20.144 1.00 32.33 O ATOM 1029 CB PHE A 61 -24.680 14.573 -18.101 1.00 52.02 C ATOM 1030 CG PHE A 61 -23.262 14.192 -18.419 1.00 14.33 C ATOM 1031 CD1 PHE A 61 -22.207 14.984 -17.995 1.00 31.22 C ATOM 1032 CD2 PHE A 61 -22.985 13.043 -19.141 1.00 21.35 C ATOM 1033 CE1 PHE A 61 -20.902 14.636 -18.286 1.00 43.04 C ATOM 1034 CE2 PHE A 61 -21.681 12.690 -19.435 1.00 33.52 C ATOM 1035 CZ PHE A 61 -20.638 13.487 -19.006 1.00 74.12 C ATOM 0 H PHE A 61 -24.906 16.758 -16.930 1.00 12.24 H new ATOM 0 HA PHE A 61 -24.517 16.021 -19.681 1.00 64.21 H new ATOM 0 HB2 PHE A 61 -24.779 14.705 -17.024 1.00 52.02 H new ATOM 0 HB3 PHE A 61 -25.340 13.753 -18.384 1.00 52.02 H new ATOM 0 HD1 PHE A 61 -22.407 15.883 -17.431 1.00 31.22 H new ATOM 0 HD2 PHE A 61 -23.797 12.416 -19.478 1.00 21.35 H new ATOM 0 HE1 PHE A 61 -20.088 15.262 -17.951 1.00 43.04 H new ATOM 0 HE2 PHE A 61 -21.478 11.792 -20.000 1.00 33.52 H new ATOM 0 HZ PHE A 61 -19.618 13.213 -19.233 1.00 74.12 H new ATOM 1045 N GLY A 62 -27.481 16.479 -18.665 1.00 63.20 N ATOM 1046 CA GLY A 62 -28.885 16.414 -19.025 1.00 41.35 C ATOM 1047 C GLY A 62 -29.694 15.575 -18.057 1.00 13.44 C ATOM 1048 O GLY A 62 -30.778 15.099 -18.392 1.00 63.11 O ATOM 0 H GLY A 62 -27.256 17.156 -17.936 1.00 63.20 H new ATOM 0 HA2 GLY A 62 -29.296 17.423 -19.057 1.00 41.35 H new ATOM 0 HA3 GLY A 62 -28.981 15.999 -20.028 1.00 41.35 H new ATOM 1052 N GLY A 63 -29.166 15.393 -16.850 1.00 33.31 N ATOM 1053 CA GLY A 63 -29.860 14.604 -15.849 1.00 24.34 C ATOM 1054 C GLY A 63 -29.424 13.152 -15.850 1.00 65.02 C ATOM 1055 O GLY A 63 -28.935 12.645 -16.860 1.00 35.34 O ATOM 0 H GLY A 63 -28.271 15.778 -16.548 1.00 33.31 H new ATOM 0 HA2 GLY A 63 -29.680 15.033 -14.863 1.00 24.34 H new ATOM 0 HA3 GLY A 63 -30.934 14.658 -16.029 1.00 24.34 H new ATOM 1059 N ALA A 64 -29.598 12.482 -14.716 1.00 32.02 N ATOM 1060 CA ALA A 64 -29.219 11.080 -14.591 1.00 15.04 C ATOM 1061 C ALA A 64 -29.811 10.248 -15.723 1.00 52.24 C ATOM 1062 O ALA A 64 -29.213 9.266 -16.164 1.00 3.55 O ATOM 1063 CB ALA A 64 -29.664 10.532 -13.243 1.00 21.33 C ATOM 0 H ALA A 64 -29.999 12.887 -13.870 1.00 32.02 H new ATOM 0 HA ALA A 64 -28.133 11.015 -14.657 1.00 15.04 H new ATOM 0 HB1 ALA A 64 -29.375 9.484 -13.163 1.00 21.33 H new ATOM 0 HB2 ALA A 64 -29.189 11.102 -12.444 1.00 21.33 H new ATOM 0 HB3 ALA A 64 -30.747 10.617 -13.155 1.00 21.33 H new ATOM 1069 N ASP A 65 -30.989 10.646 -16.190 1.00 53.54 N ATOM 1070 CA ASP A 65 -31.662 9.937 -17.273 1.00 11.53 C ATOM 1071 C ASP A 65 -30.854 10.024 -18.564 1.00 14.41 C ATOM 1072 O ASP A 65 -30.797 9.068 -19.336 1.00 23.20 O ATOM 1073 CB ASP A 65 -33.063 10.511 -17.493 1.00 61.42 C ATOM 1074 CG ASP A 65 -34.151 9.474 -17.293 1.00 63.33 C ATOM 1075 OD1 ASP A 65 -34.162 8.824 -16.227 1.00 64.12 O ATOM 1076 OD2 ASP A 65 -34.991 9.311 -18.203 1.00 43.54 O ATOM 0 H ASP A 65 -31.498 11.456 -15.836 1.00 53.54 H new ATOM 0 HA ASP A 65 -31.748 8.888 -16.990 1.00 11.53 H new ATOM 0 HB2 ASP A 65 -33.225 11.341 -16.805 1.00 61.42 H new ATOM 0 HB3 ASP A 65 -33.132 10.916 -18.503 1.00 61.42 H new ATOM 1081 N GLN A 66 -30.234 11.178 -18.791 1.00 62.52 N ATOM 1082 CA GLN A 66 -29.431 11.389 -19.990 1.00 11.20 C ATOM 1083 C GLN A 66 -28.160 10.548 -19.949 1.00 64.13 C ATOM 1084 O GLN A 66 -27.716 10.025 -20.972 1.00 1.03 O ATOM 1085 CB GLN A 66 -29.073 12.869 -20.135 1.00 11.31 C ATOM 1086 CG GLN A 66 -28.846 13.302 -21.574 1.00 42.23 C ATOM 1087 CD GLN A 66 -29.624 14.551 -21.938 1.00 13.11 C ATOM 1088 OE1 GLN A 66 -29.055 15.536 -22.409 1.00 11.44 O ATOM 1089 NE2 GLN A 66 -30.934 14.517 -21.721 1.00 70.34 N ATOM 0 H GLN A 66 -30.272 11.980 -18.162 1.00 62.52 H new ATOM 0 HA GLN A 66 -30.022 11.079 -20.852 1.00 11.20 H new ATOM 0 HB2 GLN A 66 -29.873 13.472 -19.705 1.00 11.31 H new ATOM 0 HB3 GLN A 66 -28.173 13.075 -19.556 1.00 11.31 H new ATOM 0 HG2 GLN A 66 -27.783 13.482 -21.732 1.00 42.23 H new ATOM 0 HG3 GLN A 66 -29.134 12.491 -22.243 1.00 42.23 H new ATOM 0 HE21 GLN A 66 -31.364 13.680 -21.329 1.00 70.34 H new ATOM 0 HE22 GLN A 66 -31.510 15.328 -21.947 1.00 70.34 H new ATOM 1098 N VAL A 67 -27.577 10.422 -18.761 1.00 71.21 N ATOM 1099 CA VAL A 67 -26.357 9.643 -18.587 1.00 3.42 C ATOM 1100 C VAL A 67 -26.614 8.159 -18.818 1.00 70.43 C ATOM 1101 O VAL A 67 -25.760 7.443 -19.342 1.00 62.33 O ATOM 1102 CB VAL A 67 -25.764 9.837 -17.179 1.00 22.15 C ATOM 1103 CG1 VAL A 67 -24.392 9.187 -17.083 1.00 2.34 C ATOM 1104 CG2 VAL A 67 -25.688 11.316 -16.832 1.00 2.14 C ATOM 0 H VAL A 67 -27.930 10.849 -17.905 1.00 71.21 H new ATOM 0 HA VAL A 67 -25.643 10.004 -19.327 1.00 3.42 H new ATOM 0 HB VAL A 67 -26.421 9.351 -16.457 1.00 22.15 H new ATOM 0 HG11 VAL A 67 -23.989 9.334 -16.081 1.00 2.34 H new ATOM 0 HG12 VAL A 67 -24.480 8.120 -17.285 1.00 2.34 H new ATOM 0 HG13 VAL A 67 -23.723 9.641 -17.814 1.00 2.34 H new ATOM 0 HG21 VAL A 67 -25.267 11.434 -15.834 1.00 2.14 H new ATOM 0 HG22 VAL A 67 -25.054 11.828 -17.556 1.00 2.14 H new ATOM 0 HG23 VAL A 67 -26.689 11.747 -16.857 1.00 2.14 H new ATOM 1114 N THR A 68 -27.798 7.700 -18.425 1.00 13.44 N ATOM 1115 CA THR A 68 -28.169 6.300 -18.588 1.00 51.53 C ATOM 1116 C THR A 68 -28.759 6.046 -19.971 1.00 23.23 C ATOM 1117 O THR A 68 -28.674 4.936 -20.497 1.00 42.33 O ATOM 1118 CB THR A 68 -29.187 5.860 -17.519 1.00 51.34 C ATOM 1119 OG1 THR A 68 -29.485 4.468 -17.670 1.00 64.32 O ATOM 1120 CG2 THR A 68 -30.469 6.672 -17.626 1.00 50.41 C ATOM 0 H THR A 68 -28.517 8.278 -17.991 1.00 13.44 H new ATOM 0 HA THR A 68 -27.257 5.715 -18.472 1.00 51.53 H new ATOM 0 HB THR A 68 -28.747 6.033 -16.537 1.00 51.34 H new ATOM 0 HG1 THR A 68 -30.132 4.196 -16.986 1.00 64.32 H new ATOM 0 HG21 THR A 68 -31.173 6.343 -16.861 1.00 50.41 H new ATOM 0 HG22 THR A 68 -30.244 7.729 -17.482 1.00 50.41 H new ATOM 0 HG23 THR A 68 -30.911 6.526 -18.612 1.00 50.41 H new ATOM 1128 N ARG A 69 -29.356 7.080 -20.554 1.00 3.10 N ATOM 1129 CA ARG A 69 -29.960 6.967 -21.876 1.00 0.50 C ATOM 1130 C ARG A 69 -28.947 6.452 -22.894 1.00 75.25 C ATOM 1131 O ARG A 69 -29.273 5.625 -23.747 1.00 74.00 O ATOM 1132 CB ARG A 69 -30.508 8.323 -22.327 1.00 21.22 C ATOM 1133 CG ARG A 69 -31.232 8.273 -23.662 1.00 15.20 C ATOM 1134 CD ARG A 69 -30.349 8.773 -24.794 1.00 51.42 C ATOM 1135 NE ARG A 69 -30.644 10.159 -25.147 1.00 53.43 N ATOM 1136 CZ ARG A 69 -31.769 10.543 -25.741 1.00 61.12 C ATOM 1137 NH1 ARG A 69 -32.700 9.649 -26.046 1.00 45.13 N ATOM 1138 NH2 ARG A 69 -31.965 11.823 -26.031 1.00 23.04 N ATOM 0 H ARG A 69 -29.434 8.005 -20.132 1.00 3.10 H new ATOM 0 HA ARG A 69 -30.781 6.253 -21.813 1.00 0.50 H new ATOM 0 HB2 ARG A 69 -31.191 8.700 -21.566 1.00 21.22 H new ATOM 0 HB3 ARG A 69 -29.684 9.034 -22.396 1.00 21.22 H new ATOM 0 HG2 ARG A 69 -31.546 7.250 -23.869 1.00 15.20 H new ATOM 0 HG3 ARG A 69 -32.136 8.879 -23.610 1.00 15.20 H new ATOM 0 HD2 ARG A 69 -29.302 8.688 -24.502 1.00 51.42 H new ATOM 0 HD3 ARG A 69 -30.488 8.139 -25.669 1.00 51.42 H new ATOM 0 HE ARG A 69 -29.948 10.871 -24.925 1.00 53.43 H new ATOM 0 HH11 ARG A 69 -32.553 8.664 -25.825 1.00 45.13 H new ATOM 0 HH12 ARG A 69 -33.563 9.946 -26.502 1.00 45.13 H new ATOM 0 HH21 ARG A 69 -31.252 12.514 -25.798 1.00 23.04 H new ATOM 0 HH22 ARG A 69 -32.829 12.116 -26.487 1.00 23.04 H new ATOM 1152 N THR A 70 -27.717 6.946 -22.800 1.00 41.15 N ATOM 1153 CA THR A 70 -26.657 6.537 -23.714 1.00 12.33 C ATOM 1154 C THR A 70 -25.706 5.551 -23.046 1.00 32.40 C ATOM 1155 O THR A 70 -24.680 5.182 -23.617 1.00 31.45 O ATOM 1156 CB THR A 70 -25.851 7.749 -24.217 1.00 41.32 C ATOM 1157 OG1 THR A 70 -24.833 7.317 -25.127 1.00 32.10 O ATOM 1158 CG2 THR A 70 -25.215 8.497 -23.055 1.00 30.10 C ATOM 0 H THR A 70 -27.430 7.630 -22.100 1.00 41.15 H new ATOM 0 HA THR A 70 -27.140 6.054 -24.563 1.00 12.33 H new ATOM 0 HB THR A 70 -26.535 8.424 -24.731 1.00 41.32 H new ATOM 0 HG1 THR A 70 -24.494 6.442 -24.846 1.00 32.10 H new ATOM 0 HG21 THR A 70 -24.651 9.349 -23.436 1.00 30.10 H new ATOM 0 HG22 THR A 70 -25.994 8.850 -22.380 1.00 30.10 H new ATOM 0 HG23 THR A 70 -24.543 7.829 -22.516 1.00 30.10 H new ATOM 1166 N GLN A 71 -26.055 5.127 -21.835 1.00 45.13 N ATOM 1167 CA GLN A 71 -25.230 4.182 -21.091 1.00 14.44 C ATOM 1168 C GLN A 71 -23.817 4.723 -20.903 1.00 44.15 C ATOM 1169 O GLN A 71 -22.837 4.030 -21.175 1.00 23.13 O ATOM 1170 CB GLN A 71 -25.182 2.835 -21.813 1.00 54.01 C ATOM 1171 CG GLN A 71 -26.555 2.239 -22.080 1.00 61.25 C ATOM 1172 CD GLN A 71 -26.799 1.973 -23.553 1.00 12.51 C ATOM 1173 OE1 GLN A 71 -26.678 2.872 -24.386 1.00 0.10 O ATOM 1174 NE2 GLN A 71 -27.145 0.734 -23.882 1.00 14.40 N ATOM 0 H GLN A 71 -26.902 5.422 -21.349 1.00 45.13 H new ATOM 0 HA GLN A 71 -25.679 4.043 -20.108 1.00 14.44 H new ATOM 0 HB2 GLN A 71 -24.658 2.959 -22.761 1.00 54.01 H new ATOM 0 HB3 GLN A 71 -24.600 2.133 -21.216 1.00 54.01 H new ATOM 0 HG2 GLN A 71 -26.657 1.307 -21.525 1.00 61.25 H new ATOM 0 HG3 GLN A 71 -27.321 2.918 -21.705 1.00 61.25 H new ATOM 0 HE21 GLN A 71 -27.234 0.020 -23.159 1.00 14.40 H new ATOM 0 HE22 GLN A 71 -27.322 0.496 -24.858 1.00 14.40 H new ATOM 1183 N GLN A 72 -23.720 5.965 -20.439 1.00 21.41 N ATOM 1184 CA GLN A 72 -22.425 6.598 -20.217 1.00 33.10 C ATOM 1185 C GLN A 72 -22.098 6.661 -18.729 1.00 31.23 C ATOM 1186 O GLN A 72 -20.964 6.945 -18.344 1.00 42.34 O ATOM 1187 CB GLN A 72 -22.414 8.006 -20.814 1.00 1.33 C ATOM 1188 CG GLN A 72 -21.028 8.485 -21.216 1.00 55.31 C ATOM 1189 CD GLN A 72 -20.567 7.896 -22.534 1.00 70.52 C ATOM 1190 OE1 GLN A 72 -20.771 6.711 -22.803 1.00 1.31 O ATOM 1191 NE2 GLN A 72 -19.941 8.721 -23.365 1.00 71.44 N ATOM 0 H GLN A 72 -24.522 6.552 -20.210 1.00 21.41 H new ATOM 0 HA GLN A 72 -21.664 5.995 -20.712 1.00 33.10 H new ATOM 0 HB2 GLN A 72 -23.064 8.026 -21.689 1.00 1.33 H new ATOM 0 HB3 GLN A 72 -22.834 8.703 -20.089 1.00 1.33 H new ATOM 0 HG2 GLN A 72 -21.031 9.573 -21.290 1.00 55.31 H new ATOM 0 HG3 GLN A 72 -20.315 8.220 -20.435 1.00 55.31 H new ATOM 0 HE21 GLN A 72 -19.793 9.695 -23.101 1.00 71.44 H new ATOM 0 HE22 GLN A 72 -19.608 8.380 -24.267 1.00 71.44 H new ATOM 1200 N TRP A 73 -23.098 6.394 -17.897 1.00 12.03 N ATOM 1201 CA TRP A 73 -22.916 6.421 -16.450 1.00 32.22 C ATOM 1202 C TRP A 73 -21.749 5.534 -16.031 1.00 62.24 C ATOM 1203 O TRP A 73 -21.033 5.843 -15.079 1.00 63.21 O ATOM 1204 CB TRP A 73 -24.196 5.967 -15.746 1.00 21.43 C ATOM 1205 CG TRP A 73 -24.618 4.578 -16.118 1.00 62.53 C ATOM 1206 CD1 TRP A 73 -25.238 4.191 -17.272 1.00 44.13 C ATOM 1207 CD2 TRP A 73 -24.452 3.392 -15.333 1.00 34.01 C ATOM 1208 NE1 TRP A 73 -25.468 2.837 -17.252 1.00 25.55 N ATOM 1209 CE2 TRP A 73 -24.994 2.323 -16.073 1.00 73.11 C ATOM 1210 CE3 TRP A 73 -23.897 3.129 -14.078 1.00 35.13 C ATOM 1211 CZ2 TRP A 73 -24.997 1.015 -15.597 1.00 74.52 C ATOM 1212 CZ3 TRP A 73 -23.902 1.830 -13.607 1.00 24.24 C ATOM 1213 CH2 TRP A 73 -24.448 0.786 -14.365 1.00 63.21 C ATOM 0 H TRP A 73 -24.043 6.156 -18.199 1.00 12.03 H new ATOM 0 HA TRP A 73 -22.692 7.446 -16.156 1.00 32.22 H new ATOM 0 HB2 TRP A 73 -24.046 6.017 -14.668 1.00 21.43 H new ATOM 0 HB3 TRP A 73 -25.001 6.661 -15.988 1.00 21.43 H new ATOM 0 HD1 TRP A 73 -25.508 4.853 -18.082 1.00 44.13 H new ATOM 0 HE1 TRP A 73 -25.918 2.301 -17.994 1.00 25.55 H new ATOM 0 HE3 TRP A 73 -23.472 3.927 -13.487 1.00 35.13 H new ATOM 0 HZ2 TRP A 73 -25.418 0.209 -16.180 1.00 74.52 H new ATOM 0 HZ3 TRP A 73 -23.477 1.616 -12.637 1.00 24.24 H new ATOM 0 HH2 TRP A 73 -24.435 -0.219 -13.969 1.00 63.21 H new ATOM 1224 N SER A 74 -21.562 4.431 -16.749 1.00 74.31 N ATOM 1225 CA SER A 74 -20.483 3.497 -16.449 1.00 72.03 C ATOM 1226 C SER A 74 -19.123 4.165 -16.624 1.00 3.14 C ATOM 1227 O SER A 74 -18.244 4.039 -15.772 1.00 3.34 O ATOM 1228 CB SER A 74 -20.579 2.266 -17.353 1.00 52.41 C ATOM 1229 OG SER A 74 -19.317 1.638 -17.495 1.00 41.33 O ATOM 0 H SER A 74 -22.144 4.162 -17.543 1.00 74.31 H new ATOM 0 HA SER A 74 -20.585 3.184 -15.410 1.00 72.03 H new ATOM 0 HB2 SER A 74 -21.296 1.559 -16.935 1.00 52.41 H new ATOM 0 HB3 SER A 74 -20.955 2.559 -18.333 1.00 52.41 H new ATOM 0 HG SER A 74 -19.405 0.854 -18.076 1.00 41.33 H new ATOM 1235 N MET A 75 -18.958 4.876 -17.734 1.00 64.24 N ATOM 1236 CA MET A 75 -17.705 5.565 -18.021 1.00 1.30 C ATOM 1237 C MET A 75 -17.541 6.790 -17.126 1.00 73.22 C ATOM 1238 O MET A 75 -16.478 7.010 -16.546 1.00 62.34 O ATOM 1239 CB MET A 75 -17.653 5.983 -19.492 1.00 2.23 C ATOM 1240 CG MET A 75 -16.244 6.248 -19.999 1.00 34.42 C ATOM 1241 SD MET A 75 -15.522 4.815 -20.821 1.00 23.31 S ATOM 1242 CE MET A 75 -14.446 5.613 -22.009 1.00 44.23 C ATOM 0 H MET A 75 -19.676 4.990 -18.450 1.00 64.24 H new ATOM 0 HA MET A 75 -16.885 4.876 -17.818 1.00 1.30 H new ATOM 0 HB2 MET A 75 -18.108 5.201 -20.100 1.00 2.23 H new ATOM 0 HB3 MET A 75 -18.254 6.882 -19.627 1.00 2.23 H new ATOM 0 HG2 MET A 75 -16.264 7.089 -20.693 1.00 34.42 H new ATOM 0 HG3 MET A 75 -15.610 6.540 -19.162 1.00 34.42 H new ATOM 0 HE1 MET A 75 -13.927 4.855 -22.596 1.00 44.23 H new ATOM 0 HE2 MET A 75 -15.039 6.243 -22.672 1.00 44.23 H new ATOM 0 HE3 MET A 75 -13.715 6.228 -21.483 1.00 44.23 H new ATOM 1252 N VAL A 76 -18.601 7.585 -17.019 1.00 34.43 N ATOM 1253 CA VAL A 76 -18.575 8.787 -16.194 1.00 32.41 C ATOM 1254 C VAL A 76 -18.282 8.447 -14.737 1.00 12.02 C ATOM 1255 O VAL A 76 -17.445 9.082 -14.097 1.00 43.41 O ATOM 1256 CB VAL A 76 -19.910 9.551 -16.273 1.00 71.20 C ATOM 1257 CG1 VAL A 76 -19.862 10.801 -15.408 1.00 31.12 C ATOM 1258 CG2 VAL A 76 -20.237 9.904 -17.716 1.00 61.42 C ATOM 0 H VAL A 76 -19.488 7.418 -17.493 1.00 34.43 H new ATOM 0 HA VAL A 76 -17.779 9.421 -16.583 1.00 32.41 H new ATOM 0 HB VAL A 76 -20.701 8.905 -15.893 1.00 71.20 H new ATOM 0 HG11 VAL A 76 -20.814 11.328 -15.477 1.00 31.12 H new ATOM 0 HG12 VAL A 76 -19.677 10.519 -14.371 1.00 31.12 H new ATOM 0 HG13 VAL A 76 -19.061 11.453 -15.755 1.00 31.12 H new ATOM 0 HG21 VAL A 76 -21.183 10.443 -17.753 1.00 61.42 H new ATOM 0 HG22 VAL A 76 -19.445 10.532 -18.125 1.00 61.42 H new ATOM 0 HG23 VAL A 76 -20.317 8.990 -18.305 1.00 61.42 H new ATOM 1268 N ALA A 77 -18.978 7.440 -14.218 1.00 43.32 N ATOM 1269 CA ALA A 77 -18.790 7.014 -12.837 1.00 34.00 C ATOM 1270 C ALA A 77 -17.328 6.685 -12.558 1.00 21.34 C ATOM 1271 O ALA A 77 -16.813 6.974 -11.478 1.00 50.40 O ATOM 1272 CB ALA A 77 -19.672 5.812 -12.531 1.00 62.05 C ATOM 0 H ALA A 77 -19.677 6.905 -14.733 1.00 43.32 H new ATOM 0 HA ALA A 77 -19.080 7.839 -12.186 1.00 34.00 H new ATOM 0 HB1 ALA A 77 -19.522 5.504 -11.496 1.00 62.05 H new ATOM 0 HB2 ALA A 77 -20.718 6.080 -12.681 1.00 62.05 H new ATOM 0 HB3 ALA A 77 -19.409 4.989 -13.196 1.00 62.05 H new ATOM 1278 N GLN A 78 -16.665 6.077 -13.537 1.00 14.52 N ATOM 1279 CA GLN A 78 -15.262 5.708 -13.394 1.00 71.22 C ATOM 1280 C GLN A 78 -14.388 6.946 -13.223 1.00 22.41 C ATOM 1281 O GLN A 78 -13.369 6.907 -12.533 1.00 43.03 O ATOM 1282 CB GLN A 78 -14.798 4.906 -14.611 1.00 71.51 C ATOM 1283 CG GLN A 78 -13.466 4.203 -14.405 1.00 20.14 C ATOM 1284 CD GLN A 78 -12.417 4.634 -15.410 1.00 44.21 C ATOM 1285 OE1 GLN A 78 -12.485 4.279 -16.587 1.00 52.22 O ATOM 1286 NE2 GLN A 78 -11.437 5.404 -14.951 1.00 14.52 N ATOM 0 H GLN A 78 -17.077 5.830 -14.437 1.00 14.52 H new ATOM 0 HA GLN A 78 -15.164 5.091 -12.501 1.00 71.22 H new ATOM 0 HB2 GLN A 78 -15.557 4.163 -14.857 1.00 71.51 H new ATOM 0 HB3 GLN A 78 -14.717 5.575 -15.468 1.00 71.51 H new ATOM 0 HG2 GLN A 78 -13.104 4.407 -13.397 1.00 20.14 H new ATOM 0 HG3 GLN A 78 -13.613 3.125 -14.479 1.00 20.14 H new ATOM 0 HE21 GLN A 78 -11.419 5.675 -13.968 1.00 14.52 H new ATOM 0 HE22 GLN A 78 -10.702 5.725 -15.582 1.00 14.52 H new ATOM 1295 N ARG A 79 -14.793 8.042 -13.855 1.00 41.21 N ATOM 1296 CA ARG A 79 -14.045 9.291 -13.774 1.00 13.23 C ATOM 1297 C ARG A 79 -13.909 9.750 -12.325 1.00 24.32 C ATOM 1298 O ARG A 79 -12.839 10.189 -11.899 1.00 72.34 O ATOM 1299 CB ARG A 79 -14.735 10.378 -14.601 1.00 23.12 C ATOM 1300 CG ARG A 79 -13.784 11.160 -15.493 1.00 32.52 C ATOM 1301 CD ARG A 79 -13.459 10.394 -16.766 1.00 4.12 C ATOM 1302 NE ARG A 79 -14.332 10.776 -17.872 1.00 70.44 N ATOM 1303 CZ ARG A 79 -14.166 11.879 -18.593 1.00 11.22 C ATOM 1304 NH1 ARG A 79 -13.165 12.706 -18.325 1.00 24.44 N ATOM 1305 NH2 ARG A 79 -15.003 12.158 -19.584 1.00 62.12 N ATOM 0 H ARG A 79 -15.635 8.091 -14.429 1.00 41.21 H new ATOM 0 HA ARG A 79 -13.048 9.115 -14.177 1.00 13.23 H new ATOM 0 HB2 ARG A 79 -15.505 9.918 -15.220 1.00 23.12 H new ATOM 0 HB3 ARG A 79 -15.240 11.070 -13.927 1.00 23.12 H new ATOM 0 HG2 ARG A 79 -14.230 12.121 -15.749 1.00 32.52 H new ATOM 0 HG3 ARG A 79 -12.863 11.371 -14.949 1.00 32.52 H new ATOM 0 HD2 ARG A 79 -12.421 10.576 -17.044 1.00 4.12 H new ATOM 0 HD3 ARG A 79 -13.556 9.324 -16.580 1.00 4.12 H new ATOM 0 HE ARG A 79 -15.113 10.162 -18.104 1.00 70.44 H new ATOM 0 HH11 ARG A 79 -12.520 12.496 -17.563 1.00 24.44 H new ATOM 0 HH12 ARG A 79 -13.040 13.552 -18.880 1.00 24.44 H new ATOM 0 HH21 ARG A 79 -15.775 11.525 -19.793 1.00 62.12 H new ATOM 0 HH22 ARG A 79 -14.874 13.005 -20.137 1.00 62.12 H new ATOM 1319 N LEU A 80 -14.998 9.645 -11.572 1.00 1.44 N ATOM 1320 CA LEU A 80 -15.000 10.050 -10.170 1.00 35.51 C ATOM 1321 C LEU A 80 -14.794 8.846 -9.256 1.00 4.12 C ATOM 1322 O LEU A 80 -14.695 8.990 -8.038 1.00 0.54 O ATOM 1323 CB LEU A 80 -16.316 10.748 -9.823 1.00 13.05 C ATOM 1324 CG LEU A 80 -17.588 10.089 -10.358 1.00 61.20 C ATOM 1325 CD1 LEU A 80 -18.743 10.291 -9.389 1.00 64.02 C ATOM 1326 CD2 LEU A 80 -17.938 10.643 -11.731 1.00 52.12 C ATOM 0 H LEU A 80 -15.891 9.283 -11.908 1.00 1.44 H new ATOM 0 HA LEU A 80 -14.175 10.746 -10.016 1.00 35.51 H new ATOM 0 HB2 LEU A 80 -16.394 10.814 -8.738 1.00 13.05 H new ATOM 0 HB3 LEU A 80 -16.273 11.769 -10.202 1.00 13.05 H new ATOM 0 HG LEU A 80 -17.406 9.019 -10.455 1.00 61.20 H new ATOM 0 HD11 LEU A 80 -19.639 9.815 -9.787 1.00 64.02 H new ATOM 0 HD12 LEU A 80 -18.492 9.845 -8.426 1.00 64.02 H new ATOM 0 HD13 LEU A 80 -18.926 11.358 -9.258 1.00 64.02 H new ATOM 0 HD21 LEU A 80 -18.846 10.163 -12.096 1.00 52.12 H new ATOM 0 HD22 LEU A 80 -18.100 11.718 -11.659 1.00 52.12 H new ATOM 0 HD23 LEU A 80 -17.119 10.445 -12.423 1.00 52.12 H new ATOM 1338 N GLN A 81 -14.727 7.661 -9.853 1.00 21.52 N ATOM 1339 CA GLN A 81 -14.530 6.433 -9.092 1.00 30.53 C ATOM 1340 C GLN A 81 -15.710 6.174 -8.160 1.00 43.33 C ATOM 1341 O GLN A 81 -15.528 5.904 -6.973 1.00 4.22 O ATOM 1342 CB GLN A 81 -13.234 6.511 -8.283 1.00 10.11 C ATOM 1343 CG GLN A 81 -12.511 5.179 -8.162 1.00 1.54 C ATOM 1344 CD GLN A 81 -12.704 4.532 -6.805 1.00 33.14 C ATOM 1345 OE1 GLN A 81 -13.639 3.592 -6.725 1.00 74.53 O flip ATOM 1346 NE2 GLN A 81 -12.021 4.873 -5.838 1.00 20.03 N flip ATOM 0 H GLN A 81 -14.806 7.525 -10.861 1.00 21.52 H new ATOM 0 HA GLN A 81 -14.460 5.606 -9.798 1.00 30.53 H new ATOM 0 HB2 GLN A 81 -12.567 7.236 -8.750 1.00 10.11 H new ATOM 0 HB3 GLN A 81 -13.461 6.884 -7.284 1.00 10.11 H new ATOM 0 HG2 GLN A 81 -12.871 4.503 -8.937 1.00 1.54 H new ATOM 0 HG3 GLN A 81 -11.446 5.330 -8.340 1.00 1.54 H new ATOM 0 HE21 GLN A 81 -11.313 5.600 -5.944 1.00 20.03 H new ATOM 0 HE22 GLN A 81 -12.163 4.428 -4.931 1.00 20.03 H new ATOM 1355 N ILE A 82 -16.918 6.260 -8.706 1.00 60.54 N ATOM 1356 CA ILE A 82 -18.127 6.034 -7.924 1.00 0.20 C ATOM 1357 C ILE A 82 -18.744 4.677 -8.244 1.00 70.00 C ATOM 1358 O ILE A 82 -19.461 4.101 -7.426 1.00 12.11 O ATOM 1359 CB ILE A 82 -19.175 7.134 -8.177 1.00 44.42 C ATOM 1360 CG1 ILE A 82 -20.359 6.970 -7.223 1.00 14.20 C ATOM 1361 CG2 ILE A 82 -19.644 7.096 -9.624 1.00 44.20 C ATOM 1362 CD1 ILE A 82 -21.364 8.098 -7.307 1.00 41.03 C ATOM 0 H ILE A 82 -17.086 6.485 -9.687 1.00 60.54 H new ATOM 0 HA ILE A 82 -17.833 6.058 -6.875 1.00 0.20 H new ATOM 0 HB ILE A 82 -18.714 8.104 -7.990 1.00 44.42 H new ATOM 0 HG12 ILE A 82 -20.863 6.028 -7.441 1.00 14.20 H new ATOM 0 HG13 ILE A 82 -19.985 6.903 -6.201 1.00 14.20 H new ATOM 0 HG21 ILE A 82 -20.384 7.879 -9.787 1.00 44.20 H new ATOM 0 HG22 ILE A 82 -18.794 7.257 -10.286 1.00 44.20 H new ATOM 0 HG23 ILE A 82 -20.091 6.125 -9.836 1.00 44.20 H new ATOM 0 HD11 ILE A 82 -22.176 7.915 -6.603 1.00 41.03 H new ATOM 0 HD12 ILE A 82 -20.875 9.040 -7.060 1.00 41.03 H new ATOM 0 HD13 ILE A 82 -21.766 8.152 -8.319 1.00 41.03 H new ATOM 1374 N SER A 83 -18.459 4.170 -9.439 1.00 45.33 N ATOM 1375 CA SER A 83 -18.987 2.881 -9.869 1.00 21.10 C ATOM 1376 C SER A 83 -17.942 2.103 -10.663 1.00 51.25 C ATOM 1377 O SER A 83 -18.033 1.990 -11.886 1.00 54.10 O ATOM 1378 CB SER A 83 -20.245 3.078 -10.716 1.00 54.32 C ATOM 1379 OG SER A 83 -21.072 4.094 -10.173 1.00 64.52 O ATOM 0 H SER A 83 -17.865 4.633 -10.127 1.00 45.33 H new ATOM 0 HA SER A 83 -19.243 2.306 -8.979 1.00 21.10 H new ATOM 0 HB2 SER A 83 -19.963 3.340 -11.736 1.00 54.32 H new ATOM 0 HB3 SER A 83 -20.801 2.142 -10.770 1.00 54.32 H new ATOM 0 HG SER A 83 -21.869 4.202 -10.733 1.00 64.52 H new ATOM 1385 N ASP A 84 -16.950 1.569 -9.960 1.00 10.23 N ATOM 1386 CA ASP A 84 -15.887 0.801 -10.598 1.00 33.23 C ATOM 1387 C ASP A 84 -16.169 -0.696 -10.506 1.00 42.22 C ATOM 1388 O ASP A 84 -15.370 -1.455 -9.957 1.00 74.42 O ATOM 1389 CB ASP A 84 -14.539 1.119 -9.950 1.00 10.33 C ATOM 1390 CG ASP A 84 -13.884 2.348 -10.550 1.00 21.40 C ATOM 1391 OD1 ASP A 84 -14.614 3.208 -11.086 1.00 60.43 O ATOM 1392 OD2 ASP A 84 -12.641 2.449 -10.483 1.00 13.42 O ATOM 0 H ASP A 84 -16.859 1.654 -8.948 1.00 10.23 H new ATOM 0 HA ASP A 84 -15.850 1.082 -11.650 1.00 33.23 H new ATOM 0 HB2 ASP A 84 -14.680 1.272 -8.880 1.00 10.33 H new ATOM 0 HB3 ASP A 84 -13.873 0.264 -10.064 1.00 10.33 H new ATOM 1397 N TYR A 85 -17.309 -1.112 -11.046 1.00 63.13 N ATOM 1398 CA TYR A 85 -17.697 -2.517 -11.023 1.00 34.24 C ATOM 1399 C TYR A 85 -18.047 -2.962 -9.606 1.00 1.14 C ATOM 1400 O TYR A 85 -18.663 -2.217 -8.844 1.00 41.54 O ATOM 1401 CB TYR A 85 -16.571 -3.389 -11.579 1.00 62.15 C ATOM 1402 CG TYR A 85 -15.902 -2.805 -12.803 1.00 63.32 C ATOM 1403 CD1 TYR A 85 -16.654 -2.316 -13.864 1.00 62.30 C ATOM 1404 CD2 TYR A 85 -14.517 -2.742 -12.898 1.00 2.31 C ATOM 1405 CE1 TYR A 85 -16.047 -1.783 -14.984 1.00 45.22 C ATOM 1406 CE2 TYR A 85 -13.901 -2.209 -14.014 1.00 1.54 C ATOM 1407 CZ TYR A 85 -14.670 -1.731 -15.054 1.00 40.12 C ATOM 1408 OH TYR A 85 -14.061 -1.199 -16.168 1.00 12.22 O ATOM 0 H TYR A 85 -17.980 -0.496 -11.505 1.00 63.13 H new ATOM 0 HA TYR A 85 -18.581 -2.633 -11.651 1.00 34.24 H new ATOM 0 HB2 TYR A 85 -15.821 -3.539 -10.802 1.00 62.15 H new ATOM 0 HB3 TYR A 85 -16.973 -4.371 -11.828 1.00 62.15 H new ATOM 0 HD1 TYR A 85 -17.732 -2.353 -13.812 1.00 62.30 H new ATOM 0 HD2 TYR A 85 -13.912 -3.116 -12.086 1.00 2.31 H new ATOM 0 HE1 TYR A 85 -16.647 -1.409 -15.801 1.00 45.22 H new ATOM 0 HE2 TYR A 85 -12.823 -2.167 -14.071 1.00 1.54 H new ATOM 0 HH TYR A 85 -13.088 -1.236 -16.058 1.00 12.22 H new ATOM 1418 N GLN A 86 -17.648 -4.182 -9.260 1.00 41.30 N ATOM 1419 CA GLN A 86 -17.919 -4.727 -7.935 1.00 4.41 C ATOM 1420 C GLN A 86 -17.476 -3.755 -6.846 1.00 14.41 C ATOM 1421 O GLN A 86 -18.093 -3.676 -5.784 1.00 74.11 O ATOM 1422 CB GLN A 86 -17.207 -6.069 -7.757 1.00 45.30 C ATOM 1423 CG GLN A 86 -15.694 -5.975 -7.871 1.00 44.52 C ATOM 1424 CD GLN A 86 -15.008 -7.310 -7.660 1.00 72.10 C ATOM 1425 OE1 GLN A 86 -14.548 -7.618 -6.560 1.00 42.42 O ATOM 1426 NE2 GLN A 86 -14.937 -8.113 -8.716 1.00 2.34 N ATOM 0 H GLN A 86 -17.136 -4.811 -9.879 1.00 41.30 H new ATOM 0 HA GLN A 86 -18.995 -4.880 -7.845 1.00 4.41 H new ATOM 0 HB2 GLN A 86 -17.465 -6.481 -6.781 1.00 45.30 H new ATOM 0 HB3 GLN A 86 -17.577 -6.769 -8.506 1.00 45.30 H new ATOM 0 HG2 GLN A 86 -15.431 -5.588 -8.855 1.00 44.52 H new ATOM 0 HG3 GLN A 86 -15.322 -5.260 -7.137 1.00 44.52 H new ATOM 0 HE21 GLN A 86 -15.332 -7.817 -9.609 1.00 2.34 H new ATOM 0 HE22 GLN A 86 -14.488 -9.025 -8.634 1.00 2.34 H new ATOM 1435 N GLN A 87 -16.404 -3.017 -7.117 1.00 75.34 N ATOM 1436 CA GLN A 87 -15.880 -2.051 -6.159 1.00 63.44 C ATOM 1437 C GLN A 87 -16.937 -1.013 -5.799 1.00 42.20 C ATOM 1438 O GLN A 87 -16.910 -0.436 -4.711 1.00 42.42 O ATOM 1439 CB GLN A 87 -14.640 -1.359 -6.729 1.00 13.45 C ATOM 1440 CG GLN A 87 -13.358 -1.702 -5.988 1.00 43.22 C ATOM 1441 CD GLN A 87 -12.581 -2.821 -6.654 1.00 12.12 C ATOM 1442 OE1 GLN A 87 -13.078 -3.939 -6.794 1.00 10.21 O ATOM 1443 NE2 GLN A 87 -11.355 -2.525 -7.069 1.00 21.53 N ATOM 0 H GLN A 87 -15.882 -3.070 -7.992 1.00 75.34 H new ATOM 0 HA GLN A 87 -15.603 -2.589 -5.252 1.00 63.44 H new ATOM 0 HB2 GLN A 87 -14.529 -1.636 -7.777 1.00 13.45 H new ATOM 0 HB3 GLN A 87 -14.790 -0.280 -6.698 1.00 13.45 H new ATOM 0 HG2 GLN A 87 -12.729 -0.814 -5.928 1.00 43.22 H new ATOM 0 HG3 GLN A 87 -13.600 -1.991 -4.965 1.00 43.22 H new ATOM 0 HE21 GLN A 87 -10.983 -1.585 -6.932 1.00 21.53 H new ATOM 0 HE22 GLN A 87 -10.785 -3.238 -7.525 1.00 21.53 H new ATOM 1452 N LEU A 88 -17.867 -0.779 -6.718 1.00 42.04 N ATOM 1453 CA LEU A 88 -18.934 0.191 -6.498 1.00 2.02 C ATOM 1454 C LEU A 88 -19.677 -0.103 -5.199 1.00 10.04 C ATOM 1455 O LEU A 88 -20.232 0.799 -4.573 1.00 12.32 O ATOM 1456 CB LEU A 88 -19.913 0.178 -7.673 1.00 60.40 C ATOM 1457 CG LEU A 88 -21.034 -0.859 -7.600 1.00 75.25 C ATOM 1458 CD1 LEU A 88 -22.250 -0.282 -6.891 1.00 24.43 C ATOM 1459 CD2 LEU A 88 -21.408 -1.340 -8.995 1.00 45.23 C ATOM 0 H LEU A 88 -17.904 -1.248 -7.623 1.00 42.04 H new ATOM 0 HA LEU A 88 -18.482 1.180 -6.421 1.00 2.02 H new ATOM 0 HB2 LEU A 88 -20.364 1.167 -7.755 1.00 60.40 H new ATOM 0 HB3 LEU A 88 -19.348 0.009 -8.589 1.00 60.40 H new ATOM 0 HG LEU A 88 -20.675 -1.713 -7.026 1.00 75.25 H new ATOM 0 HD11 LEU A 88 -23.037 -1.034 -6.849 1.00 24.43 H new ATOM 0 HD12 LEU A 88 -21.975 0.013 -5.878 1.00 24.43 H new ATOM 0 HD13 LEU A 88 -22.610 0.590 -7.437 1.00 24.43 H new ATOM 0 HD21 LEU A 88 -22.207 -2.078 -8.923 1.00 45.23 H new ATOM 0 HD22 LEU A 88 -21.747 -0.494 -9.593 1.00 45.23 H new ATOM 0 HD23 LEU A 88 -20.537 -1.793 -9.469 1.00 45.23 H new ATOM 1471 N GLU A 89 -19.681 -1.371 -4.799 1.00 3.23 N ATOM 1472 CA GLU A 89 -20.355 -1.782 -3.573 1.00 24.41 C ATOM 1473 C GLU A 89 -19.644 -1.219 -2.346 1.00 24.23 C ATOM 1474 O GLU A 89 -20.279 -0.679 -1.441 1.00 10.25 O ATOM 1475 CB GLU A 89 -20.414 -3.309 -3.485 1.00 55.14 C ATOM 1476 CG GLU A 89 -21.821 -3.853 -3.298 1.00 63.14 C ATOM 1477 CD GLU A 89 -21.842 -5.355 -3.089 1.00 10.20 C ATOM 1478 OE1 GLU A 89 -20.857 -6.021 -3.472 1.00 0.54 O ATOM 1479 OE2 GLU A 89 -22.843 -5.864 -2.543 1.00 61.22 O ATOM 0 H GLU A 89 -19.226 -2.130 -5.305 1.00 3.23 H new ATOM 0 HA GLU A 89 -21.370 -1.386 -3.597 1.00 24.41 H new ATOM 0 HB2 GLU A 89 -19.987 -3.734 -4.393 1.00 55.14 H new ATOM 0 HB3 GLU A 89 -19.791 -3.641 -2.654 1.00 55.14 H new ATOM 0 HG2 GLU A 89 -22.285 -3.364 -2.441 1.00 63.14 H new ATOM 0 HG3 GLU A 89 -22.423 -3.603 -4.172 1.00 63.14 H new ATOM 1486 N SER A 90 -18.321 -1.351 -2.323 1.00 51.41 N ATOM 1487 CA SER A 90 -17.523 -0.859 -1.206 1.00 32.21 C ATOM 1488 C SER A 90 -17.570 0.664 -1.133 1.00 73.01 C ATOM 1489 O SER A 90 -17.710 1.240 -0.054 1.00 4.51 O ATOM 1490 CB SER A 90 -16.074 -1.330 -1.341 1.00 22.12 C ATOM 1491 OG SER A 90 -15.351 -0.505 -2.238 1.00 71.12 O ATOM 0 H SER A 90 -17.780 -1.794 -3.065 1.00 51.41 H new ATOM 0 HA SER A 90 -17.945 -1.262 -0.285 1.00 32.21 H new ATOM 0 HB2 SER A 90 -15.592 -1.319 -0.363 1.00 22.12 H new ATOM 0 HB3 SER A 90 -16.055 -2.361 -1.694 1.00 22.12 H new ATOM 0 HG SER A 90 -15.815 -0.474 -3.100 1.00 71.12 H new ATOM 1497 N ILE A 91 -17.453 1.309 -2.289 1.00 12.03 N ATOM 1498 CA ILE A 91 -17.483 2.765 -2.357 1.00 34.30 C ATOM 1499 C ILE A 91 -18.841 3.307 -1.925 1.00 14.24 C ATOM 1500 O ILE A 91 -18.923 4.288 -1.185 1.00 22.25 O ATOM 1501 CB ILE A 91 -17.171 3.268 -3.778 1.00 41.35 C ATOM 1502 CG1 ILE A 91 -15.806 2.751 -4.238 1.00 10.33 C ATOM 1503 CG2 ILE A 91 -17.210 4.789 -3.822 1.00 63.53 C ATOM 1504 CD1 ILE A 91 -14.654 3.262 -3.401 1.00 21.20 C ATOM 0 H ILE A 91 -17.337 0.847 -3.191 1.00 12.03 H new ATOM 0 HA ILE A 91 -16.715 3.129 -1.675 1.00 34.30 H new ATOM 0 HB ILE A 91 -17.931 2.884 -4.458 1.00 41.35 H new ATOM 0 HG12 ILE A 91 -15.810 1.661 -4.209 1.00 10.33 H new ATOM 0 HG13 ILE A 91 -15.647 3.042 -5.276 1.00 10.33 H new ATOM 0 HG21 ILE A 91 -16.987 5.130 -4.833 1.00 63.53 H new ATOM 0 HG22 ILE A 91 -18.202 5.136 -3.532 1.00 63.53 H new ATOM 0 HG23 ILE A 91 -16.469 5.192 -3.132 1.00 63.53 H new ATOM 0 HD11 ILE A 91 -13.718 2.855 -3.784 1.00 21.20 H new ATOM 0 HD12 ILE A 91 -14.624 4.350 -3.450 1.00 21.20 H new ATOM 0 HD13 ILE A 91 -14.789 2.949 -2.366 1.00 21.20 H new ATOM 1516 N TYR A 92 -19.905 2.662 -2.390 1.00 12.11 N ATOM 1517 CA TYR A 92 -21.261 3.080 -2.052 1.00 63.10 C ATOM 1518 C TYR A 92 -21.531 2.900 -0.561 1.00 64.13 C ATOM 1519 O TYR A 92 -22.179 3.735 0.070 1.00 44.24 O ATOM 1520 CB TYR A 92 -22.281 2.282 -2.866 1.00 44.23 C ATOM 1521 CG TYR A 92 -23.672 2.873 -2.839 1.00 72.05 C ATOM 1522 CD1 TYR A 92 -24.065 3.818 -3.779 1.00 35.01 C ATOM 1523 CD2 TYR A 92 -24.594 2.485 -1.875 1.00 11.11 C ATOM 1524 CE1 TYR A 92 -25.336 4.361 -3.757 1.00 64.25 C ATOM 1525 CE2 TYR A 92 -25.867 3.022 -1.847 1.00 21.53 C ATOM 1526 CZ TYR A 92 -26.233 3.959 -2.790 1.00 3.33 C ATOM 1527 OH TYR A 92 -27.499 4.497 -2.766 1.00 33.41 O ATOM 0 H TYR A 92 -19.855 1.848 -3.002 1.00 12.11 H new ATOM 0 HA TYR A 92 -21.359 4.138 -2.296 1.00 63.10 H new ATOM 0 HB2 TYR A 92 -21.941 2.221 -3.900 1.00 44.23 H new ATOM 0 HB3 TYR A 92 -22.321 1.262 -2.483 1.00 44.23 H new ATOM 0 HD1 TYR A 92 -23.366 4.133 -4.539 1.00 35.01 H new ATOM 0 HD2 TYR A 92 -24.311 1.751 -1.135 1.00 11.11 H new ATOM 0 HE1 TYR A 92 -25.625 5.096 -4.493 1.00 64.25 H new ATOM 0 HE2 TYR A 92 -26.572 2.709 -1.090 1.00 21.53 H new ATOM 0 HH TYR A 92 -28.006 4.107 -2.024 1.00 33.41 H new ATOM 1537 N PHE A 93 -21.028 1.803 -0.004 1.00 0.21 N ATOM 1538 CA PHE A 93 -21.214 1.511 1.413 1.00 51.53 C ATOM 1539 C PHE A 93 -20.499 2.544 2.279 1.00 1.01 C ATOM 1540 O PHE A 93 -21.079 3.093 3.216 1.00 74.02 O ATOM 1541 CB PHE A 93 -20.696 0.109 1.739 1.00 52.04 C ATOM 1542 CG PHE A 93 -21.487 -0.588 2.809 1.00 63.23 C ATOM 1543 CD1 PHE A 93 -21.662 -0.002 4.052 1.00 71.21 C ATOM 1544 CD2 PHE A 93 -22.054 -1.830 2.571 1.00 0.14 C ATOM 1545 CE1 PHE A 93 -22.389 -0.641 5.039 1.00 52.13 C ATOM 1546 CE2 PHE A 93 -22.782 -2.473 3.554 1.00 35.11 C ATOM 1547 CZ PHE A 93 -22.949 -1.878 4.790 1.00 73.53 C ATOM 0 H PHE A 93 -20.489 1.102 -0.512 1.00 0.21 H new ATOM 0 HA PHE A 93 -22.281 1.556 1.631 1.00 51.53 H new ATOM 0 HB2 PHE A 93 -20.714 -0.496 0.833 1.00 52.04 H new ATOM 0 HB3 PHE A 93 -19.655 0.179 2.055 1.00 52.04 H new ATOM 0 HD1 PHE A 93 -21.225 0.965 4.252 1.00 71.21 H new ATOM 0 HD2 PHE A 93 -21.926 -2.300 1.607 1.00 0.14 H new ATOM 0 HE1 PHE A 93 -22.519 -0.173 6.004 1.00 52.13 H new ATOM 0 HE2 PHE A 93 -23.220 -3.440 3.356 1.00 35.11 H new ATOM 0 HZ PHE A 93 -23.517 -2.380 5.560 1.00 73.53 H new ATOM 1557 N ARG A 94 -19.235 2.802 1.960 1.00 51.55 N ATOM 1558 CA ARG A 94 -18.439 3.767 2.709 1.00 15.20 C ATOM 1559 C ARG A 94 -19.036 5.167 2.598 1.00 41.34 C ATOM 1560 O ARG A 94 -19.029 5.934 3.561 1.00 4.10 O ATOM 1561 CB ARG A 94 -16.996 3.774 2.201 1.00 13.15 C ATOM 1562 CG ARG A 94 -16.034 3.002 3.090 1.00 15.41 C ATOM 1563 CD ARG A 94 -16.224 1.501 2.944 1.00 60.30 C ATOM 1564 NE ARG A 94 -17.194 0.976 3.901 1.00 23.35 N ATOM 1565 CZ ARG A 94 -17.417 -0.321 4.086 1.00 42.24 C ATOM 1566 NH1 ARG A 94 -16.742 -1.219 3.382 1.00 74.45 N ATOM 1567 NH2 ARG A 94 -18.316 -0.721 4.976 1.00 43.31 N ATOM 0 H ARG A 94 -18.740 2.356 1.188 1.00 51.55 H new ATOM 0 HA ARG A 94 -18.446 3.470 3.758 1.00 15.20 H new ATOM 0 HB2 ARG A 94 -16.971 3.349 1.198 1.00 13.15 H new ATOM 0 HB3 ARG A 94 -16.654 4.806 2.119 1.00 13.15 H new ATOM 0 HG2 ARG A 94 -15.008 3.267 2.834 1.00 15.41 H new ATOM 0 HG3 ARG A 94 -16.187 3.290 4.130 1.00 15.41 H new ATOM 0 HD2 ARG A 94 -16.556 1.275 1.931 1.00 60.30 H new ATOM 0 HD3 ARG A 94 -15.267 0.999 3.086 1.00 60.30 H new ATOM 0 HE ARG A 94 -17.730 1.641 4.458 1.00 23.35 H new ATOM 0 HH11 ARG A 94 -16.050 -0.915 2.697 1.00 74.45 H new ATOM 0 HH12 ARG A 94 -16.915 -2.214 3.525 1.00 74.45 H new ATOM 0 HH21 ARG A 94 -18.837 -0.033 5.519 1.00 43.31 H new ATOM 0 HH22 ARG A 94 -18.486 -1.717 5.117 1.00 43.31 H new ATOM 1581 N ILE A 95 -19.550 5.493 1.417 1.00 55.23 N ATOM 1582 CA ILE A 95 -20.151 6.800 1.180 1.00 0.11 C ATOM 1583 C ILE A 95 -21.513 6.910 1.857 1.00 2.13 C ATOM 1584 O ILE A 95 -21.944 8.000 2.237 1.00 64.12 O ATOM 1585 CB ILE A 95 -20.315 7.080 -0.325 1.00 43.24 C ATOM 1586 CG1 ILE A 95 -19.083 7.807 -0.868 1.00 43.41 C ATOM 1587 CG2 ILE A 95 -21.573 7.897 -0.578 1.00 41.34 C ATOM 1588 CD1 ILE A 95 -17.839 6.947 -0.900 1.00 3.43 C ATOM 0 H ILE A 95 -19.562 4.870 0.609 1.00 55.23 H new ATOM 0 HA ILE A 95 -19.474 7.540 1.607 1.00 0.11 H new ATOM 0 HB ILE A 95 -20.412 6.129 -0.848 1.00 43.24 H new ATOM 0 HG12 ILE A 95 -19.296 8.162 -1.876 1.00 43.41 H new ATOM 0 HG13 ILE A 95 -18.891 8.687 -0.254 1.00 43.41 H new ATOM 0 HG21 ILE A 95 -21.675 8.087 -1.647 1.00 41.34 H new ATOM 0 HG22 ILE A 95 -22.443 7.345 -0.223 1.00 41.34 H new ATOM 0 HG23 ILE A 95 -21.504 8.846 -0.046 1.00 41.34 H new ATOM 0 HD11 ILE A 95 -17.006 7.527 -1.296 1.00 3.43 H new ATOM 0 HD12 ILE A 95 -17.601 6.613 0.110 1.00 3.43 H new ATOM 0 HD13 ILE A 95 -18.012 6.080 -1.537 1.00 3.43 H new ATOM 1600 N LEU A 96 -22.186 5.775 2.008 1.00 61.33 N ATOM 1601 CA LEU A 96 -23.499 5.742 2.642 1.00 53.24 C ATOM 1602 C LEU A 96 -23.370 5.610 4.156 1.00 71.33 C ATOM 1603 O LEU A 96 -24.346 5.771 4.889 1.00 33.04 O ATOM 1604 CB LEU A 96 -24.327 4.582 2.086 1.00 52.24 C ATOM 1605 CG LEU A 96 -25.830 4.638 2.361 1.00 32.43 C ATOM 1606 CD1 LEU A 96 -26.513 5.605 1.407 1.00 4.53 C ATOM 1607 CD2 LEU A 96 -26.445 3.250 2.247 1.00 41.24 C ATOM 0 H LEU A 96 -21.844 4.865 1.700 1.00 61.33 H new ATOM 0 HA LEU A 96 -24.006 6.681 2.420 1.00 53.24 H new ATOM 0 HB2 LEU A 96 -24.177 4.539 1.007 1.00 52.24 H new ATOM 0 HB3 LEU A 96 -23.937 3.652 2.500 1.00 52.24 H new ATOM 0 HG LEU A 96 -25.980 4.998 3.379 1.00 32.43 H new ATOM 0 HD11 LEU A 96 -27.582 5.631 1.619 1.00 4.53 H new ATOM 0 HD12 LEU A 96 -26.093 6.602 1.537 1.00 4.53 H new ATOM 0 HD13 LEU A 96 -26.354 5.276 0.380 1.00 4.53 H new ATOM 0 HD21 LEU A 96 -27.515 3.309 2.446 1.00 41.24 H new ATOM 0 HD22 LEU A 96 -26.284 2.862 1.241 1.00 41.24 H new ATOM 0 HD23 LEU A 96 -25.977 2.584 2.972 1.00 41.24 H new ATOM 1619 N LEU A 97 -22.159 5.317 4.617 1.00 14.24 N ATOM 1620 CA LEU A 97 -21.901 5.165 6.045 1.00 11.31 C ATOM 1621 C LEU A 97 -22.567 6.283 6.841 1.00 43.51 C ATOM 1622 O LEU A 97 -22.888 7.348 6.313 1.00 45.51 O ATOM 1623 CB LEU A 97 -20.395 5.160 6.313 1.00 31.23 C ATOM 1624 CG LEU A 97 -19.684 3.819 6.124 1.00 55.20 C ATOM 1625 CD1 LEU A 97 -18.180 3.987 6.270 1.00 51.21 C ATOM 1626 CD2 LEU A 97 -20.207 2.793 7.119 1.00 55.23 C ATOM 0 H LEU A 97 -21.341 5.180 4.023 1.00 14.24 H new ATOM 0 HA LEU A 97 -22.325 4.213 6.366 1.00 11.31 H new ATOM 0 HB2 LEU A 97 -19.927 5.893 5.656 1.00 31.23 H new ATOM 0 HB3 LEU A 97 -20.227 5.497 7.336 1.00 31.23 H new ATOM 0 HG LEU A 97 -19.892 3.458 5.117 1.00 55.20 H new ATOM 0 HD11 LEU A 97 -17.691 3.023 6.132 1.00 51.21 H new ATOM 0 HD12 LEU A 97 -17.818 4.688 5.518 1.00 51.21 H new ATOM 0 HD13 LEU A 97 -17.952 4.371 7.264 1.00 51.21 H new ATOM 0 HD21 LEU A 97 -19.690 1.845 6.970 1.00 55.23 H new ATOM 0 HD22 LEU A 97 -20.029 3.147 8.134 1.00 55.23 H new ATOM 0 HD23 LEU A 97 -21.277 2.651 6.966 1.00 55.23 H new ATOM 1638 N PRO A 98 -22.778 6.039 8.143 1.00 72.24 N ATOM 1639 CA PRO A 98 -23.405 7.014 9.040 1.00 41.12 C ATOM 1640 C PRO A 98 -22.504 8.214 9.311 1.00 13.41 C ATOM 1641 O PRO A 98 -22.976 9.348 9.402 1.00 45.33 O ATOM 1642 CB PRO A 98 -23.635 6.216 10.326 1.00 43.51 C ATOM 1643 CG PRO A 98 -22.609 5.137 10.290 1.00 21.34 C ATOM 1644 CD PRO A 98 -22.421 4.791 8.839 1.00 53.40 C ATOM 0 HA PRO A 98 -24.316 7.433 8.614 1.00 41.12 H new ATOM 0 HB2 PRO A 98 -23.518 6.845 11.209 1.00 43.51 H new ATOM 0 HB3 PRO A 98 -24.643 5.803 10.361 1.00 43.51 H new ATOM 0 HG2 PRO A 98 -21.673 5.474 10.735 1.00 21.34 H new ATOM 0 HG3 PRO A 98 -22.938 4.267 10.859 1.00 21.34 H new ATOM 0 HD2 PRO A 98 -21.395 4.492 8.627 1.00 53.40 H new ATOM 0 HD3 PRO A 98 -23.063 3.964 8.536 1.00 53.40 H new ATOM 1652 N TYR A 99 -21.207 7.958 9.439 1.00 34.15 N ATOM 1653 CA TYR A 99 -20.241 9.018 9.702 1.00 30.44 C ATOM 1654 C TYR A 99 -20.074 9.918 8.482 1.00 34.02 C ATOM 1655 O TYR A 99 -20.051 11.143 8.600 1.00 22.41 O ATOM 1656 CB TYR A 99 -18.890 8.418 10.096 1.00 0.33 C ATOM 1657 CG TYR A 99 -18.990 7.341 11.152 1.00 32.23 C ATOM 1658 CD1 TYR A 99 -19.175 7.667 12.490 1.00 12.32 C ATOM 1659 CD2 TYR A 99 -18.899 5.997 10.813 1.00 61.33 C ATOM 1660 CE1 TYR A 99 -19.267 6.686 13.459 1.00 43.42 C ATOM 1661 CE2 TYR A 99 -18.991 5.009 11.774 1.00 2.22 C ATOM 1662 CZ TYR A 99 -19.174 5.359 13.096 1.00 74.02 C ATOM 1663 OH TYR A 99 -19.265 4.378 14.057 1.00 41.22 O ATOM 0 H TYR A 99 -20.800 7.026 9.365 1.00 34.15 H new ATOM 0 HA TYR A 99 -20.618 9.622 10.527 1.00 30.44 H new ATOM 0 HB2 TYR A 99 -18.414 8.001 9.208 1.00 0.33 H new ATOM 0 HB3 TYR A 99 -18.241 9.214 10.461 1.00 0.33 H new ATOM 0 HD1 TYR A 99 -19.248 8.705 12.778 1.00 12.32 H new ATOM 0 HD2 TYR A 99 -18.754 5.720 9.779 1.00 61.33 H new ATOM 0 HE1 TYR A 99 -19.411 6.957 14.494 1.00 43.42 H new ATOM 0 HE2 TYR A 99 -18.920 3.969 11.492 1.00 2.22 H new ATOM 0 HH TYR A 99 -19.181 3.498 13.635 1.00 41.22 H new ATOM 1673 N GLU A 100 -19.960 9.301 7.310 1.00 22.55 N ATOM 1674 CA GLU A 100 -19.795 10.046 6.068 1.00 72.21 C ATOM 1675 C GLU A 100 -21.037 10.880 5.765 1.00 5.14 C ATOM 1676 O GLU A 100 -20.937 12.061 5.431 1.00 34.12 O ATOM 1677 CB GLU A 100 -19.515 9.089 4.907 1.00 43.30 C ATOM 1678 CG GLU A 100 -18.041 8.978 4.553 1.00 74.33 C ATOM 1679 CD GLU A 100 -17.817 8.629 3.094 1.00 1.01 C ATOM 1680 OE1 GLU A 100 -18.279 9.396 2.224 1.00 73.15 O ATOM 1681 OE2 GLU A 100 -17.180 7.590 2.823 1.00 4.01 O ATOM 0 H GLU A 100 -19.979 8.288 7.195 1.00 22.55 H new ATOM 0 HA GLU A 100 -18.946 10.719 6.188 1.00 72.21 H new ATOM 0 HB2 GLU A 100 -19.894 8.100 5.163 1.00 43.30 H new ATOM 0 HB3 GLU A 100 -20.067 9.425 4.029 1.00 43.30 H new ATOM 0 HG2 GLU A 100 -17.545 9.922 4.777 1.00 74.33 H new ATOM 0 HG3 GLU A 100 -17.577 8.217 5.180 1.00 74.33 H new ATOM 1688 N ARG A 101 -22.204 10.257 5.885 1.00 54.24 N ATOM 1689 CA ARG A 101 -23.465 10.941 5.622 1.00 32.24 C ATOM 1690 C ARG A 101 -23.714 12.037 6.654 1.00 0.21 C ATOM 1691 O ARG A 101 -24.292 13.079 6.342 1.00 62.24 O ATOM 1692 CB ARG A 101 -24.624 9.942 5.635 1.00 63.24 C ATOM 1693 CG ARG A 101 -24.968 9.426 7.022 1.00 31.41 C ATOM 1694 CD ARG A 101 -26.113 8.426 6.976 1.00 14.22 C ATOM 1695 NE ARG A 101 -27.266 8.947 6.246 1.00 44.24 N ATOM 1696 CZ ARG A 101 -28.074 9.887 6.722 1.00 13.02 C ATOM 1697 NH1 ARG A 101 -27.857 10.406 7.923 1.00 55.43 N ATOM 1698 NH2 ARG A 101 -29.102 10.310 5.997 1.00 32.43 N ATOM 0 H ARG A 101 -22.303 9.280 6.162 1.00 54.24 H new ATOM 0 HA ARG A 101 -23.401 11.401 4.636 1.00 32.24 H new ATOM 0 HB2 ARG A 101 -25.506 10.416 5.204 1.00 63.24 H new ATOM 0 HB3 ARG A 101 -24.371 9.097 4.995 1.00 63.24 H new ATOM 0 HG2 ARG A 101 -24.090 8.955 7.464 1.00 31.41 H new ATOM 0 HG3 ARG A 101 -25.240 10.263 7.666 1.00 31.41 H new ATOM 0 HD2 ARG A 101 -25.771 7.505 6.504 1.00 14.22 H new ATOM 0 HD3 ARG A 101 -26.413 8.171 7.993 1.00 14.22 H new ATOM 0 HE ARG A 101 -27.461 8.568 5.319 1.00 44.24 H new ATOM 0 HH11 ARG A 101 -27.068 10.083 8.483 1.00 55.43 H new ATOM 0 HH12 ARG A 101 -28.479 11.128 8.287 1.00 55.43 H new ATOM 0 HH21 ARG A 101 -29.272 9.913 5.073 1.00 32.43 H new ATOM 0 HH22 ARG A 101 -29.722 11.032 6.364 1.00 32.43 H new ATOM 1712 N HIS A 102 -23.274 11.795 7.885 1.00 14.20 N ATOM 1713 CA HIS A 102 -23.449 12.762 8.963 1.00 33.11 C ATOM 1714 C HIS A 102 -22.606 14.009 8.716 1.00 11.34 C ATOM 1715 O HIS A 102 -23.080 15.133 8.883 1.00 64.11 O ATOM 1716 CB HIS A 102 -23.072 12.134 10.305 1.00 11.44 C ATOM 1717 CG HIS A 102 -24.212 11.439 10.983 1.00 15.11 C ATOM 1718 ND1 HIS A 102 -25.362 11.059 10.323 1.00 42.34 N ATOM 1719 CD2 HIS A 102 -24.375 11.054 12.270 1.00 32.43 C ATOM 1720 CE1 HIS A 102 -26.183 10.472 11.175 1.00 62.34 C ATOM 1721 NE2 HIS A 102 -25.608 10.455 12.364 1.00 44.15 N ATOM 0 H HIS A 102 -22.794 10.938 8.161 1.00 14.20 H new ATOM 0 HA HIS A 102 -24.499 13.055 8.989 1.00 33.11 H new ATOM 0 HB2 HIS A 102 -22.264 11.420 10.148 1.00 11.44 H new ATOM 0 HB3 HIS A 102 -22.687 12.911 10.965 1.00 11.44 H new ATOM 0 HD2 HIS A 102 -23.667 11.192 13.074 1.00 32.43 H new ATOM 0 HE1 HIS A 102 -27.159 10.074 10.939 1.00 62.34 H new ATOM 0 HE2 HIS A 102 -26.013 10.061 13.213 1.00 44.15 H new ATOM 1729 N MET A 103 -21.355 13.803 8.320 1.00 64.24 N ATOM 1730 CA MET A 103 -20.446 14.911 8.050 1.00 51.12 C ATOM 1731 C MET A 103 -21.004 15.818 6.957 1.00 21.31 C ATOM 1732 O MET A 103 -20.862 17.039 7.019 1.00 2.20 O ATOM 1733 CB MET A 103 -19.071 14.383 7.637 1.00 21.44 C ATOM 1734 CG MET A 103 -18.091 14.270 8.794 1.00 12.12 C ATOM 1735 SD MET A 103 -17.630 15.876 9.472 1.00 21.13 S ATOM 1736 CE MET A 103 -16.439 15.388 10.718 1.00 65.04 C ATOM 0 H MET A 103 -20.947 12.879 8.179 1.00 64.24 H new ATOM 0 HA MET A 103 -20.343 15.494 8.965 1.00 51.12 H new ATOM 0 HB2 MET A 103 -19.191 13.403 7.176 1.00 21.44 H new ATOM 0 HB3 MET A 103 -18.650 15.043 6.878 1.00 21.44 H new ATOM 0 HG2 MET A 103 -18.534 13.661 9.582 1.00 12.12 H new ATOM 0 HG3 MET A 103 -17.194 13.751 8.456 1.00 12.12 H new ATOM 0 HE1 MET A 103 -16.061 16.275 11.227 1.00 65.04 H new ATOM 0 HE2 MET A 103 -16.919 14.731 11.443 1.00 65.04 H new ATOM 0 HE3 MET A 103 -15.611 14.861 10.243 1.00 65.04 H new ATOM 1746 N ILE A 104 -21.638 15.212 5.959 1.00 43.24 N ATOM 1747 CA ILE A 104 -22.217 15.966 4.853 1.00 21.34 C ATOM 1748 C ILE A 104 -23.616 16.462 5.200 1.00 14.03 C ATOM 1749 O ILE A 104 -24.118 17.409 4.594 1.00 35.43 O ATOM 1750 CB ILE A 104 -22.289 15.117 3.570 1.00 3.40 C ATOM 1751 CG1 ILE A 104 -23.147 13.872 3.803 1.00 52.41 C ATOM 1752 CG2 ILE A 104 -20.891 14.726 3.115 1.00 23.11 C ATOM 1753 CD1 ILE A 104 -23.295 13.002 2.575 1.00 64.22 C ATOM 0 H ILE A 104 -21.764 14.202 5.893 1.00 43.24 H new ATOM 0 HA ILE A 104 -21.564 16.821 4.677 1.00 21.34 H new ATOM 0 HB ILE A 104 -22.753 15.712 2.784 1.00 3.40 H new ATOM 0 HG12 ILE A 104 -22.705 13.281 4.606 1.00 52.41 H new ATOM 0 HG13 ILE A 104 -24.136 14.180 4.141 1.00 52.41 H new ATOM 0 HG21 ILE A 104 -20.958 14.126 2.207 1.00 23.11 H new ATOM 0 HG22 ILE A 104 -20.309 15.625 2.913 1.00 23.11 H new ATOM 0 HG23 ILE A 104 -20.403 14.146 3.898 1.00 23.11 H new ATOM 0 HD11 ILE A 104 -23.915 12.138 2.814 1.00 64.22 H new ATOM 0 HD12 ILE A 104 -23.765 13.576 1.777 1.00 64.22 H new ATOM 0 HD13 ILE A 104 -22.312 12.663 2.248 1.00 64.22 H new ATOM 1765 N SER A 105 -24.241 15.817 6.181 1.00 41.43 N ATOM 1766 CA SER A 105 -25.584 16.192 6.608 1.00 60.22 C ATOM 1767 C SER A 105 -25.600 17.610 7.169 1.00 1.31 C ATOM 1768 O SER A 105 -26.588 18.331 7.033 1.00 43.54 O ATOM 1769 CB SER A 105 -26.100 15.209 7.660 1.00 21.25 C ATOM 1770 OG SER A 105 -26.835 15.881 8.669 1.00 61.53 O ATOM 0 H SER A 105 -23.839 15.033 6.694 1.00 41.43 H new ATOM 0 HA SER A 105 -26.238 16.158 5.737 1.00 60.22 H new ATOM 0 HB2 SER A 105 -26.732 14.460 7.183 1.00 21.25 H new ATOM 0 HB3 SER A 105 -25.261 14.679 8.109 1.00 21.25 H new ATOM 0 HG SER A 105 -27.155 15.231 9.328 1.00 61.53 H new ATOM 1776 N GLN A 106 -24.498 18.002 7.801 1.00 51.44 N ATOM 1777 CA GLN A 106 -24.385 19.334 8.384 1.00 52.24 C ATOM 1778 C GLN A 106 -24.656 20.411 7.338 1.00 65.22 C ATOM 1779 O GLN A 106 -25.259 21.441 7.636 1.00 33.31 O ATOM 1780 CB GLN A 106 -22.995 19.533 8.989 1.00 23.54 C ATOM 1781 CG GLN A 106 -22.905 19.127 10.452 1.00 43.03 C ATOM 1782 CD GLN A 106 -22.015 20.051 11.260 1.00 61.22 C ATOM 1783 OE1 GLN A 106 -20.931 19.662 11.697 1.00 50.44 O ATOM 1784 NE2 GLN A 106 -22.469 21.282 11.463 1.00 3.02 N ATOM 0 H GLN A 106 -23.672 17.417 7.922 1.00 51.44 H new ATOM 0 HA GLN A 106 -25.133 19.422 9.172 1.00 52.24 H new ATOM 0 HB2 GLN A 106 -22.271 18.954 8.415 1.00 23.54 H new ATOM 0 HB3 GLN A 106 -22.713 20.581 8.893 1.00 23.54 H new ATOM 0 HG2 GLN A 106 -23.905 19.121 10.886 1.00 43.03 H new ATOM 0 HG3 GLN A 106 -22.522 18.109 10.520 1.00 43.03 H new ATOM 0 HE21 GLN A 106 -23.373 21.561 11.082 1.00 3.02 H new ATOM 0 HE22 GLN A 106 -21.914 21.948 12.000 1.00 3.02 H new ATOM 1793 N GLU A 107 -24.204 20.165 6.112 1.00 61.11 N ATOM 1794 CA GLU A 107 -24.397 21.115 5.023 1.00 43.04 C ATOM 1795 C GLU A 107 -25.838 21.083 4.521 1.00 25.40 C ATOM 1796 O GLU A 107 -26.312 22.033 3.901 1.00 10.51 O ATOM 1797 CB GLU A 107 -23.437 20.807 3.871 1.00 32.53 C ATOM 1798 CG GLU A 107 -23.096 22.019 3.022 1.00 52.14 C ATOM 1799 CD GLU A 107 -21.602 22.204 2.841 1.00 20.44 C ATOM 1800 OE1 GLU A 107 -20.984 22.896 3.677 1.00 50.13 O ATOM 1801 OE2 GLU A 107 -21.051 21.655 1.864 1.00 23.23 O ATOM 0 H GLU A 107 -23.702 19.317 5.849 1.00 61.11 H new ATOM 0 HA GLU A 107 -24.186 22.114 5.405 1.00 43.04 H new ATOM 0 HB2 GLU A 107 -22.517 20.389 4.278 1.00 32.53 H new ATOM 0 HB3 GLU A 107 -23.881 20.041 3.235 1.00 32.53 H new ATOM 0 HG2 GLU A 107 -23.567 21.917 2.044 1.00 52.14 H new ATOM 0 HG3 GLU A 107 -23.515 22.912 3.486 1.00 52.14 H new