USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 SER OG : rot 180:sc= 0.413 USER MOD Set 1.2: A 36 THR OG1 : rot 78:sc= 0.452 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -77:sc= -1.39 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -140:sc= -0.158 USER MOD Single : A 19 THR OG1 : rot -135:sc= -1.15 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0229 USER MOD Single : A 28 LYS NZ :NH3+ -132:sc= -0.73 (180deg=-3.53!) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0221) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -9.5! C(o=-9.5!,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -79:sc= 1.26 USER MOD Single : A 49 ASN : amide:sc= -3.32! K(o=-3.3!,f=-0.31) USER MOD Single : A 54 ASN : amide:sc= -0.0816 X(o=-0.082,f=-0.45) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.644 USER MOD Single : A 63 HIS : no HD1:sc= -4.38! C(o=-4.4!,f=-7.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -170:sc= -0.627 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 6 7.801 6.115 -4.329 1.00 33.44 N ATOM 88 CA LYS A 6 9.226 5.866 -4.506 1.00 24.31 C ATOM 89 C LYS A 6 9.816 6.804 -5.554 1.00 62.43 C ATOM 90 O LYS A 6 11.010 7.101 -5.532 1.00 61.32 O ATOM 91 CB LYS A 6 9.464 4.411 -4.917 1.00 32.33 C ATOM 92 CG LYS A 6 9.528 4.206 -6.420 1.00 71.13 C ATOM 93 CD LYS A 6 10.948 4.343 -6.942 1.00 5.42 C ATOM 94 CE LYS A 6 11.329 3.175 -7.838 1.00 72.11 C ATOM 95 NZ LYS A 6 10.733 3.301 -9.197 1.00 42.50 N ATOM 0 HA LYS A 6 9.723 6.054 -3.554 1.00 24.31 H new ATOM 0 HB2 LYS A 6 10.396 4.064 -4.472 1.00 32.33 H new ATOM 0 HB3 LYS A 6 8.666 3.792 -4.508 1.00 32.33 H new ATOM 0 HG2 LYS A 6 9.141 3.218 -6.670 1.00 71.13 H new ATOM 0 HG3 LYS A 6 8.886 4.934 -6.915 1.00 71.13 H new ATOM 0 HD2 LYS A 6 11.044 5.276 -7.498 1.00 5.42 H new ATOM 0 HD3 LYS A 6 11.641 4.400 -6.103 1.00 5.42 H new ATOM 0 HE2 LYS A 6 12.414 3.120 -7.921 1.00 72.11 H new ATOM 0 HE3 LYS A 6 10.997 2.243 -7.381 1.00 72.11 H new ATOM 0 HZ1 LYS A 6 11.016 2.486 -9.777 1.00 42.50 H new ATOM 0 HZ2 LYS A 6 9.696 3.328 -9.120 1.00 42.50 H new ATOM 0 HZ3 LYS A 6 11.070 4.178 -9.644 1.00 42.50 H new ATOM 109 N GLU A 7 8.971 7.267 -6.470 1.00 10.23 N ATOM 110 CA GLU A 7 9.410 8.172 -7.525 1.00 43.23 C ATOM 111 C GLU A 7 9.416 9.617 -7.035 1.00 45.43 C ATOM 112 O GLU A 7 10.139 10.461 -7.566 1.00 61.12 O ATOM 113 CB GLU A 7 8.503 8.041 -8.750 1.00 53.52 C ATOM 114 CG GLU A 7 8.321 6.609 -9.223 1.00 31.11 C ATOM 115 CD GLU A 7 7.801 6.525 -10.645 1.00 10.31 C ATOM 116 OE1 GLU A 7 7.307 7.552 -11.156 1.00 72.15 O ATOM 117 OE2 GLU A 7 7.888 5.434 -11.246 1.00 13.22 O ATOM 0 H GLU A 7 7.979 7.030 -6.502 1.00 10.23 H new ATOM 0 HA GLU A 7 10.427 7.897 -7.804 1.00 43.23 H new ATOM 0 HB2 GLU A 7 7.526 8.464 -8.515 1.00 53.52 H new ATOM 0 HB3 GLU A 7 8.919 8.634 -9.565 1.00 53.52 H new ATOM 0 HG2 GLU A 7 9.274 6.085 -9.157 1.00 31.11 H new ATOM 0 HG3 GLU A 7 7.628 6.095 -8.556 1.00 31.11 H new ATOM 124 N ARG A 8 8.606 9.895 -6.019 1.00 73.05 N ATOM 125 CA ARG A 8 8.516 11.238 -5.458 1.00 71.35 C ATOM 126 C ARG A 8 9.895 11.751 -5.054 1.00 13.11 C ATOM 127 O ARG A 8 10.170 12.949 -5.127 1.00 14.42 O ATOM 128 CB ARG A 8 7.581 11.246 -4.247 1.00 63.04 C ATOM 129 CG ARG A 8 7.318 12.636 -3.691 1.00 32.30 C ATOM 130 CD ARG A 8 6.846 12.577 -2.246 1.00 42.14 C ATOM 131 NE ARG A 8 7.611 13.475 -1.384 1.00 74.43 N ATOM 132 CZ ARG A 8 7.506 14.798 -1.424 1.00 55.21 C ATOM 133 NH1 ARG A 8 6.672 15.375 -2.279 1.00 21.01 N ATOM 134 NH2 ARG A 8 8.235 15.548 -0.607 1.00 72.33 N ATOM 0 H ARG A 8 8.002 9.208 -5.567 1.00 73.05 H new ATOM 0 HA ARG A 8 8.112 11.899 -6.224 1.00 71.35 H new ATOM 0 HB2 ARG A 8 6.632 10.791 -4.528 1.00 63.04 H new ATOM 0 HB3 ARG A 8 8.012 10.625 -3.462 1.00 63.04 H new ATOM 0 HG2 ARG A 8 8.228 13.233 -3.754 1.00 32.30 H new ATOM 0 HG3 ARG A 8 6.566 13.137 -4.301 1.00 32.30 H new ATOM 0 HD2 ARG A 8 5.790 12.841 -2.198 1.00 42.14 H new ATOM 0 HD3 ARG A 8 6.936 11.556 -1.876 1.00 42.14 H new ATOM 0 HE ARG A 8 8.261 13.063 -0.715 1.00 74.43 H new ATOM 0 HH11 ARG A 8 6.109 14.802 -2.908 1.00 21.01 H new ATOM 0 HH12 ARG A 8 6.593 16.392 -2.308 1.00 21.01 H new ATOM 0 HH21 ARG A 8 8.877 15.108 0.053 1.00 72.33 H new ATOM 0 HH22 ARG A 8 8.153 16.564 -0.639 1.00 72.33 H new ATOM 148 N THR A 9 10.759 10.836 -4.626 1.00 44.23 N ATOM 149 CA THR A 9 12.108 11.196 -4.208 1.00 65.15 C ATOM 150 C THR A 9 13.041 11.321 -5.408 1.00 73.11 C ATOM 151 O THR A 9 14.011 12.078 -5.376 1.00 10.34 O ATOM 152 CB THR A 9 12.688 10.159 -3.228 1.00 62.21 C ATOM 153 OG1 THR A 9 14.055 10.471 -2.937 1.00 30.25 O ATOM 154 CG2 THR A 9 12.596 8.755 -3.808 1.00 13.42 C ATOM 0 H THR A 9 10.548 9.840 -4.560 1.00 44.23 H new ATOM 0 HA THR A 9 12.036 12.160 -3.705 1.00 65.15 H new ATOM 0 HB THR A 9 12.104 10.194 -2.309 1.00 62.21 H new ATOM 0 HG1 THR A 9 14.620 10.198 -3.689 1.00 30.25 H new ATOM 0 HG21 THR A 9 13.012 8.040 -3.098 1.00 13.42 H new ATOM 0 HG22 THR A 9 11.552 8.509 -4.002 1.00 13.42 H new ATOM 0 HG23 THR A 9 13.158 8.709 -4.741 1.00 13.42 H new ATOM 162 N ILE A 10 12.740 10.574 -6.465 1.00 50.44 N ATOM 163 CA ILE A 10 13.551 10.604 -7.676 1.00 70.22 C ATOM 164 C ILE A 10 13.767 12.034 -8.159 1.00 15.22 C ATOM 165 O ILE A 10 14.892 12.442 -8.446 1.00 23.41 O ATOM 166 CB ILE A 10 12.903 9.784 -8.808 1.00 0.42 C ATOM 167 CG1 ILE A 10 12.903 8.296 -8.454 1.00 30.15 C ATOM 168 CG2 ILE A 10 13.635 10.022 -10.120 1.00 43.00 C ATOM 169 CD1 ILE A 10 14.290 7.712 -8.297 1.00 14.03 C ATOM 0 H ILE A 10 11.941 9.941 -6.507 1.00 50.44 H new ATOM 0 HA ILE A 10 14.514 10.160 -7.422 1.00 70.22 H new ATOM 0 HB ILE A 10 11.870 10.110 -8.927 1.00 0.42 H new ATOM 0 HG12 ILE A 10 12.350 8.152 -7.526 1.00 30.15 H new ATOM 0 HG13 ILE A 10 12.372 7.746 -9.231 1.00 30.15 H new ATOM 0 HG21 ILE A 10 13.166 9.436 -10.910 1.00 43.00 H new ATOM 0 HG22 ILE A 10 13.588 11.080 -10.376 1.00 43.00 H new ATOM 0 HG23 ILE A 10 14.677 9.720 -10.015 1.00 43.00 H new ATOM 0 HD11 ILE A 10 14.213 6.654 -8.046 1.00 14.03 H new ATOM 0 HD12 ILE A 10 14.840 7.824 -9.231 1.00 14.03 H new ATOM 0 HD13 ILE A 10 14.817 8.236 -7.500 1.00 14.03 H new ATOM 181 N LYS A 11 12.680 12.794 -8.244 1.00 72.03 N ATOM 182 CA LYS A 11 12.748 14.181 -8.689 1.00 24.11 C ATOM 183 C LYS A 11 13.694 14.989 -7.806 1.00 44.04 C ATOM 184 O LYS A 11 14.438 15.840 -8.295 1.00 3.23 O ATOM 185 CB LYS A 11 11.355 14.813 -8.673 1.00 34.40 C ATOM 186 CG LYS A 11 10.289 13.952 -9.330 1.00 22.13 C ATOM 187 CD LYS A 11 8.971 14.697 -9.458 1.00 43.22 C ATOM 188 CE LYS A 11 7.893 13.821 -10.077 1.00 22.53 C ATOM 189 NZ LYS A 11 7.190 14.510 -11.194 1.00 5.53 N ATOM 0 H LYS A 11 11.741 12.472 -8.010 1.00 72.03 H new ATOM 0 HA LYS A 11 13.132 14.191 -9.709 1.00 24.11 H new ATOM 0 HB2 LYS A 11 11.066 15.009 -7.641 1.00 34.40 H new ATOM 0 HB3 LYS A 11 11.396 15.776 -9.181 1.00 34.40 H new ATOM 0 HG2 LYS A 11 10.629 13.641 -10.318 1.00 22.13 H new ATOM 0 HG3 LYS A 11 10.140 13.045 -8.744 1.00 22.13 H new ATOM 0 HD2 LYS A 11 8.646 15.035 -8.474 1.00 43.22 H new ATOM 0 HD3 LYS A 11 9.113 15.588 -10.070 1.00 43.22 H new ATOM 0 HE2 LYS A 11 8.342 12.899 -10.445 1.00 22.53 H new ATOM 0 HE3 LYS A 11 7.170 13.540 -9.311 1.00 22.53 H new ATOM 0 HZ1 LYS A 11 6.463 13.879 -11.588 1.00 5.53 H new ATOM 0 HZ2 LYS A 11 6.740 15.377 -10.838 1.00 5.53 H new ATOM 0 HZ3 LYS A 11 7.875 14.756 -11.937 1.00 5.53 H new ATOM 203 N ILE A 12 13.661 14.716 -6.506 1.00 45.14 N ATOM 204 CA ILE A 12 14.518 15.416 -5.557 1.00 50.34 C ATOM 205 C ILE A 12 15.984 15.054 -5.769 1.00 41.42 C ATOM 206 O ILE A 12 16.822 15.924 -6.004 1.00 14.41 O ATOM 207 CB ILE A 12 14.127 15.096 -4.103 1.00 34.42 C ATOM 208 CG1 ILE A 12 12.657 15.445 -3.858 1.00 42.11 C ATOM 209 CG2 ILE A 12 15.025 15.850 -3.134 1.00 54.30 C ATOM 210 CD1 ILE A 12 12.183 15.118 -2.459 1.00 43.43 C ATOM 0 H ILE A 12 13.050 14.015 -6.086 1.00 45.14 H new ATOM 0 HA ILE A 12 14.380 16.482 -5.735 1.00 50.34 H new ATOM 0 HB ILE A 12 14.260 14.027 -3.934 1.00 34.42 H new ATOM 0 HG12 ILE A 12 12.509 16.509 -4.044 1.00 42.11 H new ATOM 0 HG13 ILE A 12 12.040 14.907 -4.577 1.00 42.11 H new ATOM 0 HG21 ILE A 12 14.736 15.613 -2.110 1.00 54.30 H new ATOM 0 HG22 ILE A 12 16.062 15.556 -3.295 1.00 54.30 H new ATOM 0 HG23 ILE A 12 14.922 16.922 -3.301 1.00 54.30 H new ATOM 0 HD11 ILE A 12 11.133 15.392 -2.357 1.00 43.43 H new ATOM 0 HD12 ILE A 12 12.299 14.050 -2.276 1.00 43.43 H new ATOM 0 HD13 ILE A 12 12.775 15.677 -1.734 1.00 43.43 H new ATOM 222 N GLY A 13 16.287 13.762 -5.686 1.00 42.32 N ATOM 223 CA GLY A 13 17.652 13.307 -5.873 1.00 5.22 C ATOM 224 C GLY A 13 18.236 13.753 -7.199 1.00 2.23 C ATOM 225 O GLY A 13 19.445 13.957 -7.317 1.00 14.53 O ATOM 0 H GLY A 13 15.611 13.023 -5.493 1.00 42.32 H new ATOM 0 HA2 GLY A 13 18.272 13.686 -5.061 1.00 5.22 H new ATOM 0 HA3 GLY A 13 17.680 12.219 -5.815 1.00 5.22 H new ATOM 229 N LYS A 14 17.377 13.904 -8.201 1.00 31.50 N ATOM 230 CA LYS A 14 17.813 14.328 -9.526 1.00 71.41 C ATOM 231 C LYS A 14 17.879 15.849 -9.616 1.00 62.21 C ATOM 232 O LYS A 14 18.612 16.400 -10.437 1.00 43.34 O ATOM 233 CB LYS A 14 16.864 13.784 -10.596 1.00 73.42 C ATOM 234 CG LYS A 14 16.781 12.267 -10.622 1.00 13.24 C ATOM 235 CD LYS A 14 17.445 11.693 -11.862 1.00 11.12 C ATOM 236 CE LYS A 14 16.940 10.291 -12.166 1.00 54.23 C ATOM 237 NZ LYS A 14 18.001 9.438 -12.769 1.00 32.21 N ATOM 0 H LYS A 14 16.374 13.739 -8.121 1.00 31.50 H new ATOM 0 HA LYS A 14 18.812 13.928 -9.698 1.00 71.41 H new ATOM 0 HB2 LYS A 14 15.867 14.191 -10.426 1.00 73.42 H new ATOM 0 HB3 LYS A 14 17.191 14.138 -11.574 1.00 73.42 H new ATOM 0 HG2 LYS A 14 17.259 11.860 -9.731 1.00 13.24 H new ATOM 0 HG3 LYS A 14 15.736 11.958 -10.592 1.00 13.24 H new ATOM 0 HD2 LYS A 14 17.250 12.344 -12.714 1.00 11.12 H new ATOM 0 HD3 LYS A 14 18.525 11.669 -11.719 1.00 11.12 H new ATOM 0 HE2 LYS A 14 16.580 9.828 -11.247 1.00 54.23 H new ATOM 0 HE3 LYS A 14 16.091 10.350 -12.847 1.00 54.23 H new ATOM 0 HZ1 LYS A 14 17.617 8.491 -12.961 1.00 32.21 H new ATOM 0 HZ2 LYS A 14 18.327 9.867 -13.659 1.00 32.21 H new ATOM 0 HZ3 LYS A 14 18.801 9.360 -12.109 1.00 32.21 H new ATOM 251 N TYR A 15 17.111 16.521 -8.767 1.00 13.15 N ATOM 252 CA TYR A 15 17.082 17.979 -8.751 1.00 71.21 C ATOM 253 C TYR A 15 18.256 18.539 -7.955 1.00 25.45 C ATOM 254 O TYR A 15 18.891 19.512 -8.364 1.00 33.43 O ATOM 255 CB TYR A 15 15.764 18.477 -8.156 1.00 51.52 C ATOM 256 CG TYR A 15 15.598 19.979 -8.225 1.00 60.32 C ATOM 257 CD1 TYR A 15 16.139 20.803 -7.246 1.00 31.22 C ATOM 258 CD2 TYR A 15 14.900 20.573 -9.269 1.00 12.20 C ATOM 259 CE1 TYR A 15 15.989 22.175 -7.304 1.00 63.12 C ATOM 260 CE2 TYR A 15 14.747 21.944 -9.336 1.00 54.43 C ATOM 261 CZ TYR A 15 15.293 22.741 -8.352 1.00 32.14 C ATOM 262 OH TYR A 15 15.141 24.107 -8.414 1.00 42.24 O ATOM 0 H TYR A 15 16.500 16.080 -8.080 1.00 13.15 H new ATOM 0 HA TYR A 15 17.164 18.330 -9.780 1.00 71.21 H new ATOM 0 HB2 TYR A 15 14.935 18.004 -8.683 1.00 51.52 H new ATOM 0 HB3 TYR A 15 15.702 18.160 -7.115 1.00 51.52 H new ATOM 0 HD1 TYR A 15 16.686 20.363 -6.425 1.00 31.22 H new ATOM 0 HD2 TYR A 15 14.470 19.952 -10.041 1.00 12.20 H new ATOM 0 HE1 TYR A 15 16.414 22.801 -6.533 1.00 63.12 H new ATOM 0 HE2 TYR A 15 14.202 22.390 -10.155 1.00 54.43 H new ATOM 0 HH TYR A 15 14.234 24.322 -8.717 1.00 42.24 H new ATOM 272 N ILE A 16 18.540 17.916 -6.815 1.00 44.24 N ATOM 273 CA ILE A 16 19.639 18.350 -5.962 1.00 3.12 C ATOM 274 C ILE A 16 20.933 18.487 -6.758 1.00 13.22 C ATOM 275 O ILE A 16 21.748 19.371 -6.492 1.00 34.35 O ATOM 276 CB ILE A 16 19.868 17.369 -4.797 1.00 2.33 C ATOM 277 CG1 ILE A 16 20.436 16.048 -5.318 1.00 72.51 C ATOM 278 CG2 ILE A 16 18.569 17.133 -4.041 1.00 24.35 C ATOM 279 CD1 ILE A 16 21.948 16.004 -5.334 1.00 73.40 C ATOM 0 H ILE A 16 18.024 17.110 -6.462 1.00 44.24 H new ATOM 0 HA ILE A 16 19.359 19.323 -5.558 1.00 3.12 H new ATOM 0 HB ILE A 16 20.591 17.807 -4.109 1.00 2.33 H new ATOM 0 HG12 ILE A 16 20.064 15.232 -4.698 1.00 72.51 H new ATOM 0 HG13 ILE A 16 20.065 15.876 -6.328 1.00 72.51 H new ATOM 0 HG21 ILE A 16 18.747 16.438 -3.221 1.00 24.35 H new ATOM 0 HG22 ILE A 16 18.203 18.079 -3.642 1.00 24.35 H new ATOM 0 HG23 ILE A 16 17.825 16.713 -4.718 1.00 24.35 H new ATOM 0 HD11 ILE A 16 22.280 15.038 -5.715 1.00 73.40 H new ATOM 0 HD12 ILE A 16 22.328 16.798 -5.977 1.00 73.40 H new ATOM 0 HD13 ILE A 16 22.327 16.144 -4.322 1.00 73.40 H new ATOM 291 N VAL A 17 21.114 17.608 -7.738 1.00 21.42 N ATOM 292 CA VAL A 17 22.307 17.632 -8.576 1.00 21.24 C ATOM 293 C VAL A 17 22.143 18.605 -9.738 1.00 31.22 C ATOM 294 O VAL A 17 23.120 19.165 -10.233 1.00 50.11 O ATOM 295 CB VAL A 17 22.630 16.233 -9.133 1.00 73.24 C ATOM 296 CG1 VAL A 17 21.549 15.783 -10.105 1.00 43.01 C ATOM 297 CG2 VAL A 17 23.996 16.229 -9.803 1.00 33.53 C ATOM 0 H VAL A 17 20.450 16.870 -7.971 1.00 21.42 H new ATOM 0 HA VAL A 17 23.131 17.962 -7.944 1.00 21.24 H new ATOM 0 HB VAL A 17 22.656 15.527 -8.303 1.00 73.24 H new ATOM 0 HG11 VAL A 17 21.794 14.793 -10.489 1.00 43.01 H new ATOM 0 HG12 VAL A 17 20.589 15.746 -9.590 1.00 43.01 H new ATOM 0 HG13 VAL A 17 21.489 16.488 -10.934 1.00 43.01 H new ATOM 0 HG21 VAL A 17 24.208 15.233 -10.191 1.00 33.53 H new ATOM 0 HG22 VAL A 17 24.001 16.946 -10.624 1.00 33.53 H new ATOM 0 HG23 VAL A 17 24.759 16.505 -9.075 1.00 33.53 H new ATOM 307 N GLU A 18 20.900 18.801 -10.167 1.00 62.44 N ATOM 308 CA GLU A 18 20.609 19.706 -11.272 1.00 55.34 C ATOM 309 C GLU A 18 20.919 21.150 -10.889 1.00 1.32 C ATOM 310 O GLU A 18 21.346 21.949 -11.723 1.00 42.02 O ATOM 311 CB GLU A 18 19.142 19.582 -11.689 1.00 54.13 C ATOM 312 CG GLU A 18 18.949 19.357 -13.180 1.00 3.43 C ATOM 313 CD GLU A 18 19.235 20.601 -13.999 1.00 11.12 C ATOM 314 OE1 GLU A 18 18.802 21.697 -13.583 1.00 65.41 O ATOM 315 OE2 GLU A 18 19.890 20.479 -15.055 1.00 11.32 O ATOM 0 H GLU A 18 20.080 18.346 -9.767 1.00 62.44 H new ATOM 0 HA GLU A 18 21.244 19.427 -12.113 1.00 55.34 H new ATOM 0 HB2 GLU A 18 18.687 18.755 -11.144 1.00 54.13 H new ATOM 0 HB3 GLU A 18 18.612 20.488 -11.395 1.00 54.13 H new ATOM 0 HG2 GLU A 18 19.604 18.551 -13.510 1.00 3.43 H new ATOM 0 HG3 GLU A 18 17.925 19.032 -13.365 1.00 3.43 H new ATOM 322 N THR A 19 20.701 21.479 -9.619 1.00 52.33 N ATOM 323 CA THR A 19 20.955 22.826 -9.124 1.00 50.32 C ATOM 324 C THR A 19 22.145 22.846 -8.172 1.00 11.53 C ATOM 325 O THR A 19 22.742 23.896 -7.929 1.00 72.32 O ATOM 326 CB THR A 19 19.723 23.401 -8.400 1.00 74.42 C ATOM 327 OG1 THR A 19 19.565 22.769 -7.125 1.00 21.12 O ATOM 328 CG2 THR A 19 18.464 23.199 -9.231 1.00 22.43 C ATOM 0 H THR A 19 20.349 20.830 -8.915 1.00 52.33 H new ATOM 0 HA THR A 19 21.178 23.445 -9.993 1.00 50.32 H new ATOM 0 HB THR A 19 19.878 24.471 -8.258 1.00 74.42 H new ATOM 0 HG1 THR A 19 18.624 22.530 -6.993 1.00 21.12 H new ATOM 0 HG21 THR A 19 17.607 23.613 -8.700 1.00 22.43 H new ATOM 0 HG22 THR A 19 18.576 23.705 -10.190 1.00 22.43 H new ATOM 0 HG23 THR A 19 18.306 22.134 -9.400 1.00 22.43 H new ATOM 336 N LYS A 20 22.486 21.680 -7.634 1.00 43.40 N ATOM 337 CA LYS A 20 23.607 21.563 -6.709 1.00 21.32 C ATOM 338 C LYS A 20 23.335 22.338 -5.424 1.00 22.05 C ATOM 339 O LYS A 20 24.261 22.703 -4.699 1.00 21.14 O ATOM 340 CB LYS A 20 24.892 22.075 -7.364 1.00 32.12 C ATOM 341 CG LYS A 20 25.133 21.510 -8.753 1.00 2.11 C ATOM 342 CD LYS A 20 25.424 20.019 -8.706 1.00 2.40 C ATOM 343 CE LYS A 20 26.704 19.725 -7.938 1.00 51.32 C ATOM 344 NZ LYS A 20 27.512 18.660 -8.594 1.00 34.21 N ATOM 0 H LYS A 20 22.002 20.802 -7.823 1.00 43.40 H new ATOM 0 HA LYS A 20 23.730 20.509 -6.458 1.00 21.32 H new ATOM 0 HB2 LYS A 20 24.850 23.162 -7.425 1.00 32.12 H new ATOM 0 HB3 LYS A 20 25.740 21.824 -6.727 1.00 32.12 H new ATOM 0 HG2 LYS A 20 24.258 21.691 -9.377 1.00 2.11 H new ATOM 0 HG3 LYS A 20 25.970 22.030 -9.218 1.00 2.11 H new ATOM 0 HD2 LYS A 20 24.589 19.499 -8.236 1.00 2.40 H new ATOM 0 HD3 LYS A 20 25.510 19.632 -9.721 1.00 2.40 H new ATOM 0 HE2 LYS A 20 27.298 20.636 -7.860 1.00 51.32 H new ATOM 0 HE3 LYS A 20 26.456 19.419 -6.922 1.00 51.32 H new ATOM 0 HZ1 LYS A 20 28.376 18.489 -8.040 1.00 34.21 H new ATOM 0 HZ2 LYS A 20 26.955 17.784 -8.646 1.00 34.21 H new ATOM 0 HZ3 LYS A 20 27.771 18.963 -9.555 1.00 34.21 H new ATOM 358 N LYS A 21 22.060 22.585 -5.146 1.00 13.52 N ATOM 359 CA LYS A 21 21.665 23.315 -3.947 1.00 32.24 C ATOM 360 C LYS A 21 21.553 22.375 -2.750 1.00 74.14 C ATOM 361 O LYS A 21 21.841 21.182 -2.855 1.00 2.20 O ATOM 362 CB LYS A 21 20.330 24.028 -4.175 1.00 4.31 C ATOM 363 CG LYS A 21 20.480 25.494 -4.544 1.00 52.03 C ATOM 364 CD LYS A 21 20.138 25.739 -6.005 1.00 23.25 C ATOM 365 CE LYS A 21 19.404 27.057 -6.192 1.00 14.43 C ATOM 366 NZ LYS A 21 20.273 28.226 -5.879 1.00 73.44 N ATOM 0 H LYS A 21 21.281 22.290 -5.735 1.00 13.52 H new ATOM 0 HA LYS A 21 22.434 24.057 -3.734 1.00 32.24 H new ATOM 0 HB2 LYS A 21 19.785 23.516 -4.968 1.00 4.31 H new ATOM 0 HB3 LYS A 21 19.726 23.949 -3.271 1.00 4.31 H new ATOM 0 HG2 LYS A 21 19.830 26.098 -3.911 1.00 52.03 H new ATOM 0 HG3 LYS A 21 21.503 25.816 -4.350 1.00 52.03 H new ATOM 0 HD2 LYS A 21 21.053 25.743 -6.598 1.00 23.25 H new ATOM 0 HD3 LYS A 21 19.521 24.921 -6.377 1.00 23.25 H new ATOM 0 HE2 LYS A 21 19.050 27.133 -7.220 1.00 14.43 H new ATOM 0 HE3 LYS A 21 18.524 27.077 -5.550 1.00 14.43 H new ATOM 0 HZ1 LYS A 21 19.736 29.105 -6.019 1.00 73.44 H new ATOM 0 HZ2 LYS A 21 20.591 28.168 -4.890 1.00 73.44 H new ATOM 0 HZ3 LYS A 21 21.100 28.222 -6.509 1.00 73.44 H new ATOM 380 N THR A 22 21.130 22.919 -1.613 1.00 40.14 N ATOM 381 CA THR A 22 20.979 22.129 -0.398 1.00 2.42 C ATOM 382 C THR A 22 19.544 21.642 -0.233 1.00 42.12 C ATOM 383 O THR A 22 18.616 22.208 -0.811 1.00 33.32 O ATOM 384 CB THR A 22 21.381 22.937 0.850 1.00 4.25 C ATOM 385 OG1 THR A 22 20.379 23.917 1.144 1.00 43.24 O ATOM 386 CG2 THR A 22 22.723 23.623 0.642 1.00 1.10 C ATOM 0 H THR A 22 20.886 23.904 -1.509 1.00 40.14 H new ATOM 0 HA THR A 22 21.642 21.270 -0.495 1.00 2.42 H new ATOM 0 HB THR A 22 21.470 22.247 1.689 1.00 4.25 H new ATOM 0 HG1 THR A 22 20.642 24.425 1.940 1.00 43.24 H new ATOM 0 HG21 THR A 22 22.986 24.187 1.537 1.00 1.10 H new ATOM 0 HG22 THR A 22 23.489 22.872 0.449 1.00 1.10 H new ATOM 0 HG23 THR A 22 22.657 24.301 -0.209 1.00 1.10 H new ATOM 394 N VAL A 23 19.369 20.589 0.559 1.00 12.21 N ATOM 395 CA VAL A 23 18.046 20.027 0.801 1.00 34.23 C ATOM 396 C VAL A 23 17.062 21.106 1.239 1.00 34.34 C ATOM 397 O VAL A 23 15.857 20.991 1.013 1.00 60.51 O ATOM 398 CB VAL A 23 18.093 18.924 1.875 1.00 33.33 C ATOM 399 CG1 VAL A 23 18.704 17.652 1.308 1.00 21.30 C ATOM 400 CG2 VAL A 23 18.868 19.400 3.094 1.00 1.22 C ATOM 0 H VAL A 23 20.127 20.108 1.044 1.00 12.21 H new ATOM 0 HA VAL A 23 17.709 19.593 -0.141 1.00 34.23 H new ATOM 0 HB VAL A 23 17.073 18.701 2.186 1.00 33.33 H new ATOM 0 HG11 VAL A 23 18.729 16.884 2.081 1.00 21.30 H new ATOM 0 HG12 VAL A 23 18.103 17.302 0.469 1.00 21.30 H new ATOM 0 HG13 VAL A 23 19.719 17.856 0.967 1.00 21.30 H new ATOM 0 HG21 VAL A 23 18.891 18.608 3.843 1.00 1.22 H new ATOM 0 HG22 VAL A 23 19.887 19.653 2.801 1.00 1.22 H new ATOM 0 HG23 VAL A 23 18.382 20.281 3.513 1.00 1.22 H new ATOM 410 N ARG A 24 17.583 22.155 1.868 1.00 60.55 N ATOM 411 CA ARG A 24 16.750 23.255 2.338 1.00 22.33 C ATOM 412 C ARG A 24 16.124 24.003 1.165 1.00 4.42 C ATOM 413 O ARG A 24 14.977 24.444 1.238 1.00 43.45 O ATOM 414 CB ARG A 24 17.577 24.220 3.190 1.00 33.44 C ATOM 415 CG ARG A 24 16.798 25.437 3.661 1.00 52.24 C ATOM 416 CD ARG A 24 17.225 25.868 5.055 1.00 65.31 C ATOM 417 NE ARG A 24 18.426 26.698 5.027 1.00 4.31 N ATOM 418 CZ ARG A 24 18.439 27.959 4.609 1.00 75.03 C ATOM 419 NH1 ARG A 24 17.320 28.531 4.186 1.00 51.33 N ATOM 420 NH2 ARG A 24 19.571 28.650 4.613 1.00 23.03 N ATOM 0 H ARG A 24 18.578 22.266 2.064 1.00 60.55 H new ATOM 0 HA ARG A 24 15.949 22.837 2.948 1.00 22.33 H new ATOM 0 HB2 ARG A 24 17.961 23.686 4.059 1.00 33.44 H new ATOM 0 HB3 ARG A 24 18.440 24.552 2.613 1.00 33.44 H new ATOM 0 HG2 ARG A 24 16.950 26.260 2.962 1.00 52.24 H new ATOM 0 HG3 ARG A 24 15.732 25.210 3.660 1.00 52.24 H new ATOM 0 HD2 ARG A 24 16.413 26.421 5.528 1.00 65.31 H new ATOM 0 HD3 ARG A 24 17.409 24.985 5.667 1.00 65.31 H new ATOM 0 HE ARG A 24 19.303 26.287 5.346 1.00 4.31 H new ATOM 0 HH11 ARG A 24 16.447 28.003 4.181 1.00 51.33 H new ATOM 0 HH12 ARG A 24 17.332 29.499 3.865 1.00 51.33 H new ATOM 0 HH21 ARG A 24 20.434 28.213 4.937 1.00 23.03 H new ATOM 0 HH22 ARG A 24 19.579 29.618 4.292 1.00 23.03 H new ATOM 434 N VAL A 25 16.886 24.144 0.085 1.00 23.50 N ATOM 435 CA VAL A 25 16.407 24.838 -1.104 1.00 12.22 C ATOM 436 C VAL A 25 15.643 23.892 -2.023 1.00 34.44 C ATOM 437 O VAL A 25 14.757 24.313 -2.767 1.00 11.51 O ATOM 438 CB VAL A 25 17.569 25.472 -1.890 1.00 43.44 C ATOM 439 CG1 VAL A 25 17.038 26.345 -3.018 1.00 23.23 C ATOM 440 CG2 VAL A 25 18.466 26.276 -0.960 1.00 74.13 C ATOM 0 H VAL A 25 17.838 23.786 0.009 1.00 23.50 H new ATOM 0 HA VAL A 25 15.737 25.626 -0.761 1.00 12.22 H new ATOM 0 HB VAL A 25 18.165 24.673 -2.331 1.00 43.44 H new ATOM 0 HG11 VAL A 25 17.874 26.785 -3.562 1.00 23.23 H new ATOM 0 HG12 VAL A 25 16.441 25.737 -3.698 1.00 23.23 H new ATOM 0 HG13 VAL A 25 16.418 27.139 -2.602 1.00 23.23 H new ATOM 0 HG21 VAL A 25 19.282 26.717 -1.533 1.00 74.13 H new ATOM 0 HG22 VAL A 25 17.884 27.068 -0.488 1.00 74.13 H new ATOM 0 HG23 VAL A 25 18.875 25.620 -0.192 1.00 74.13 H new ATOM 450 N ILE A 26 15.991 22.611 -1.965 1.00 35.42 N ATOM 451 CA ILE A 26 15.336 21.604 -2.791 1.00 30.32 C ATOM 452 C ILE A 26 13.994 21.192 -2.195 1.00 60.32 C ATOM 453 O ILE A 26 13.066 20.832 -2.919 1.00 64.42 O ATOM 454 CB ILE A 26 16.217 20.352 -2.957 1.00 24.23 C ATOM 455 CG1 ILE A 26 17.528 20.713 -3.658 1.00 42.52 C ATOM 456 CG2 ILE A 26 15.472 19.279 -3.736 1.00 30.41 C ATOM 457 CD1 ILE A 26 18.760 20.243 -2.917 1.00 60.31 C ATOM 0 H ILE A 26 16.722 22.246 -1.355 1.00 35.42 H new ATOM 0 HA ILE A 26 15.173 22.056 -3.769 1.00 30.32 H new ATOM 0 HB ILE A 26 16.452 19.958 -1.968 1.00 24.23 H new ATOM 0 HG12 ILE A 26 17.528 20.278 -4.658 1.00 42.52 H new ATOM 0 HG13 ILE A 26 17.579 21.795 -3.781 1.00 42.52 H new ATOM 0 HG21 ILE A 26 16.108 18.401 -3.845 1.00 30.41 H new ATOM 0 HG22 ILE A 26 14.563 19.005 -3.200 1.00 30.41 H new ATOM 0 HG23 ILE A 26 15.210 19.661 -4.722 1.00 30.41 H new ATOM 0 HD11 ILE A 26 19.652 20.534 -3.472 1.00 60.31 H new ATOM 0 HD12 ILE A 26 18.785 20.698 -1.927 1.00 60.31 H new ATOM 0 HD13 ILE A 26 18.733 19.158 -2.817 1.00 60.31 H new ATOM 469 N ALA A 27 13.898 21.249 -0.871 1.00 21.11 N ATOM 470 CA ALA A 27 12.669 20.885 -0.178 1.00 15.54 C ATOM 471 C ALA A 27 11.591 21.946 -0.378 1.00 62.12 C ATOM 472 O ALA A 27 10.469 21.638 -0.780 1.00 31.22 O ATOM 473 CB ALA A 27 12.940 20.680 1.305 1.00 32.23 C ATOM 0 H ALA A 27 14.657 21.544 -0.257 1.00 21.11 H new ATOM 0 HA ALA A 27 12.305 19.949 -0.603 1.00 15.54 H new ATOM 0 HB1 ALA A 27 12.013 20.409 1.810 1.00 32.23 H new ATOM 0 HB2 ALA A 27 13.671 19.882 1.434 1.00 32.23 H new ATOM 0 HB3 ALA A 27 13.330 21.603 1.734 1.00 32.23 H new ATOM 479 N LYS A 28 11.939 23.197 -0.095 1.00 70.34 N ATOM 480 CA LYS A 28 11.002 24.304 -0.245 1.00 4.21 C ATOM 481 C LYS A 28 10.369 24.298 -1.633 1.00 22.34 C ATOM 482 O LYS A 28 9.233 24.737 -1.808 1.00 2.03 O ATOM 483 CB LYS A 28 11.714 25.637 -0.004 1.00 3.32 C ATOM 484 CG LYS A 28 12.949 25.832 -0.867 1.00 10.23 C ATOM 485 CD LYS A 28 12.595 26.424 -2.221 1.00 2.13 C ATOM 486 CE LYS A 28 13.060 27.868 -2.337 1.00 23.52 C ATOM 487 NZ LYS A 28 14.203 28.008 -3.281 1.00 24.21 N ATOM 0 H LYS A 28 12.863 23.469 0.240 1.00 70.34 H new ATOM 0 HA LYS A 28 10.212 24.181 0.496 1.00 4.21 H new ATOM 0 HB2 LYS A 28 11.016 26.452 -0.194 1.00 3.32 H new ATOM 0 HB3 LYS A 28 12.001 25.702 1.046 1.00 3.32 H new ATOM 0 HG2 LYS A 28 13.652 26.488 -0.354 1.00 10.23 H new ATOM 0 HG3 LYS A 28 13.451 24.875 -1.007 1.00 10.23 H new ATOM 0 HD2 LYS A 28 13.053 25.829 -3.011 1.00 2.13 H new ATOM 0 HD3 LYS A 28 11.516 26.375 -2.370 1.00 2.13 H new ATOM 0 HE2 LYS A 28 12.231 28.490 -2.675 1.00 23.52 H new ATOM 0 HE3 LYS A 28 13.354 28.235 -1.354 1.00 23.52 H new ATOM 0 HZ1 LYS A 28 14.950 28.580 -2.839 1.00 24.21 H new ATOM 0 HZ2 LYS A 28 14.579 27.067 -3.513 1.00 24.21 H new ATOM 0 HZ3 LYS A 28 13.879 28.475 -4.152 1.00 24.21 H new ATOM 501 N GLU A 29 11.111 23.796 -2.615 1.00 23.54 N ATOM 502 CA GLU A 29 10.620 23.732 -3.986 1.00 65.12 C ATOM 503 C GLU A 29 9.486 22.719 -4.112 1.00 13.45 C ATOM 504 O GLU A 29 8.523 22.937 -4.848 1.00 21.13 O ATOM 505 CB GLU A 29 11.757 23.362 -4.941 1.00 70.54 C ATOM 506 CG GLU A 29 12.698 24.516 -5.245 1.00 33.43 C ATOM 507 CD GLU A 29 12.860 24.760 -6.732 1.00 44.13 C ATOM 508 OE1 GLU A 29 12.728 23.792 -7.510 1.00 25.41 O ATOM 509 OE2 GLU A 29 13.120 25.919 -7.119 1.00 31.41 O ATOM 0 H GLU A 29 12.054 23.428 -2.487 1.00 23.54 H new ATOM 0 HA GLU A 29 10.236 24.716 -4.253 1.00 65.12 H new ATOM 0 HB2 GLU A 29 12.330 22.541 -4.509 1.00 70.54 H new ATOM 0 HB3 GLU A 29 11.331 22.996 -5.875 1.00 70.54 H new ATOM 0 HG2 GLU A 29 12.321 25.422 -4.771 1.00 33.43 H new ATOM 0 HG3 GLU A 29 13.674 24.309 -4.806 1.00 33.43 H new ATOM 516 N PHE A 30 9.607 21.611 -3.388 1.00 14.53 N ATOM 517 CA PHE A 30 8.593 20.564 -3.418 1.00 73.25 C ATOM 518 C PHE A 30 7.432 20.902 -2.487 1.00 5.20 C ATOM 519 O PHE A 30 6.315 20.422 -2.670 1.00 33.11 O ATOM 520 CB PHE A 30 9.206 19.220 -3.020 1.00 73.43 C ATOM 521 CG PHE A 30 9.959 18.551 -4.135 1.00 34.54 C ATOM 522 CD1 PHE A 30 11.052 19.169 -4.719 1.00 55.44 C ATOM 523 CD2 PHE A 30 9.573 17.303 -4.598 1.00 32.24 C ATOM 524 CE1 PHE A 30 11.747 18.556 -5.745 1.00 12.43 C ATOM 525 CE2 PHE A 30 10.264 16.685 -5.622 1.00 64.22 C ATOM 526 CZ PHE A 30 11.352 17.313 -6.197 1.00 71.23 C ATOM 0 H PHE A 30 10.397 21.415 -2.773 1.00 14.53 H new ATOM 0 HA PHE A 30 8.210 20.494 -4.436 1.00 73.25 H new ATOM 0 HB2 PHE A 30 9.880 19.373 -2.177 1.00 73.43 H new ATOM 0 HB3 PHE A 30 8.413 18.555 -2.678 1.00 73.43 H new ATOM 0 HD1 PHE A 30 11.365 20.141 -4.369 1.00 55.44 H new ATOM 0 HD2 PHE A 30 8.722 16.808 -4.153 1.00 32.24 H new ATOM 0 HE1 PHE A 30 12.598 19.049 -6.192 1.00 12.43 H new ATOM 0 HE2 PHE A 30 9.954 15.712 -5.973 1.00 64.22 H new ATOM 0 HZ PHE A 30 11.893 16.832 -6.999 1.00 71.23 H new ATOM 536 N GLY A 31 7.708 21.733 -1.486 1.00 53.21 N ATOM 537 CA GLY A 31 6.678 22.122 -0.540 1.00 61.30 C ATOM 538 C GLY A 31 6.663 21.242 0.694 1.00 3.24 C ATOM 539 O GLY A 31 5.599 20.902 1.211 1.00 53.23 O ATOM 0 H GLY A 31 8.626 22.143 -1.313 1.00 53.21 H new ATOM 0 HA2 GLY A 31 6.836 23.158 -0.242 1.00 61.30 H new ATOM 0 HA3 GLY A 31 5.704 22.075 -1.028 1.00 61.30 H new ATOM 543 N VAL A 32 7.848 20.871 1.169 1.00 62.32 N ATOM 544 CA VAL A 32 7.968 20.025 2.350 1.00 34.42 C ATOM 545 C VAL A 32 9.108 20.492 3.248 1.00 60.33 C ATOM 546 O VAL A 32 9.822 21.439 2.919 1.00 11.23 O ATOM 547 CB VAL A 32 8.203 18.552 1.964 1.00 13.14 C ATOM 548 CG1 VAL A 32 6.925 17.932 1.419 1.00 1.32 C ATOM 549 CG2 VAL A 32 9.333 18.441 0.953 1.00 60.25 C ATOM 0 H VAL A 32 8.739 21.143 0.753 1.00 62.32 H new ATOM 0 HA VAL A 32 7.026 20.105 2.893 1.00 34.42 H new ATOM 0 HB VAL A 32 8.492 18.001 2.859 1.00 13.14 H new ATOM 0 HG11 VAL A 32 7.111 16.892 1.152 1.00 1.32 H new ATOM 0 HG12 VAL A 32 6.145 17.978 2.179 1.00 1.32 H new ATOM 0 HG13 VAL A 32 6.602 18.482 0.535 1.00 1.32 H new ATOM 0 HG21 VAL A 32 9.486 17.394 0.691 1.00 60.25 H new ATOM 0 HG22 VAL A 32 9.076 19.005 0.057 1.00 60.25 H new ATOM 0 HG23 VAL A 32 10.249 18.844 1.385 1.00 60.25 H new ATOM 559 N SER A 33 9.274 19.820 4.382 1.00 31.25 N ATOM 560 CA SER A 33 10.326 20.168 5.330 1.00 22.11 C ATOM 561 C SER A 33 11.578 19.331 5.083 1.00 11.24 C ATOM 562 O SER A 33 11.495 18.177 4.662 1.00 40.31 O ATOM 563 CB SER A 33 9.837 19.964 6.765 1.00 22.23 C ATOM 564 OG SER A 33 10.187 18.677 7.245 1.00 4.33 O ATOM 0 H SER A 33 8.694 19.031 4.667 1.00 31.25 H new ATOM 0 HA SER A 33 10.578 21.219 5.186 1.00 22.11 H new ATOM 0 HB2 SER A 33 10.270 20.727 7.412 1.00 22.23 H new ATOM 0 HB3 SER A 33 8.755 20.089 6.805 1.00 22.23 H new ATOM 0 HG SER A 33 9.865 18.572 8.164 1.00 4.33 H new ATOM 570 N LYS A 34 12.738 19.921 5.349 1.00 2.43 N ATOM 571 CA LYS A 34 14.009 19.233 5.158 1.00 21.44 C ATOM 572 C LYS A 34 14.011 17.886 5.875 1.00 1.10 C ATOM 573 O LYS A 34 14.460 16.880 5.325 1.00 3.43 O ATOM 574 CB LYS A 34 15.163 20.097 5.671 1.00 22.00 C ATOM 575 CG LYS A 34 15.209 21.482 5.049 1.00 61.34 C ATOM 576 CD LYS A 34 14.861 22.560 6.061 1.00 32.00 C ATOM 577 CE LYS A 34 13.863 23.557 5.492 1.00 5.51 C ATOM 578 NZ LYS A 34 13.844 24.827 6.269 1.00 4.55 N ATOM 0 H LYS A 34 12.824 20.876 5.698 1.00 2.43 H new ATOM 0 HA LYS A 34 14.142 19.058 4.090 1.00 21.44 H new ATOM 0 HB2 LYS A 34 15.078 20.196 6.753 1.00 22.00 H new ATOM 0 HB3 LYS A 34 16.105 19.586 5.471 1.00 22.00 H new ATOM 0 HG2 LYS A 34 16.205 21.668 4.646 1.00 61.34 H new ATOM 0 HG3 LYS A 34 14.512 21.529 4.212 1.00 61.34 H new ATOM 0 HD2 LYS A 34 14.446 22.099 6.957 1.00 32.00 H new ATOM 0 HD3 LYS A 34 15.768 23.084 6.363 1.00 32.00 H new ATOM 0 HE2 LYS A 34 14.115 23.770 4.453 1.00 5.51 H new ATOM 0 HE3 LYS A 34 12.867 23.115 5.494 1.00 5.51 H new ATOM 0 HZ1 LYS A 34 13.215 25.511 5.801 1.00 4.55 H new ATOM 0 HZ2 LYS A 34 13.498 24.640 7.232 1.00 4.55 H new ATOM 0 HZ3 LYS A 34 14.806 25.219 6.317 1.00 4.55 H new ATOM 592 N SER A 35 13.505 17.874 7.104 1.00 2.21 N ATOM 593 CA SER A 35 13.451 16.651 7.897 1.00 41.34 C ATOM 594 C SER A 35 12.635 15.577 7.183 1.00 2.43 C ATOM 595 O SER A 35 12.849 14.381 7.385 1.00 43.43 O ATOM 596 CB SER A 35 12.847 16.937 9.273 1.00 71.31 C ATOM 597 OG SER A 35 13.140 15.893 10.185 1.00 70.50 O ATOM 0 H SER A 35 13.127 18.697 7.572 1.00 2.21 H new ATOM 0 HA SER A 35 14.469 16.284 8.025 1.00 41.34 H new ATOM 0 HB2 SER A 35 13.238 17.880 9.656 1.00 71.31 H new ATOM 0 HB3 SER A 35 11.767 17.053 9.183 1.00 71.31 H new ATOM 0 HG SER A 35 12.744 16.100 11.057 1.00 70.50 H new ATOM 603 N THR A 36 11.698 16.013 6.348 1.00 75.15 N ATOM 604 CA THR A 36 10.848 15.091 5.605 1.00 72.14 C ATOM 605 C THR A 36 11.541 14.604 4.338 1.00 64.44 C ATOM 606 O THR A 36 11.429 13.435 3.966 1.00 11.23 O ATOM 607 CB THR A 36 9.507 15.746 5.223 1.00 41.12 C ATOM 608 OG1 THR A 36 8.802 16.143 6.404 1.00 32.01 O ATOM 609 CG2 THR A 36 8.648 14.788 4.411 1.00 4.01 C ATOM 0 H THR A 36 11.508 16.999 6.169 1.00 75.15 H new ATOM 0 HA THR A 36 10.655 14.242 6.260 1.00 72.14 H new ATOM 0 HB THR A 36 9.718 16.625 4.614 1.00 41.12 H new ATOM 0 HG1 THR A 36 9.191 16.971 6.754 1.00 32.01 H new ATOM 0 HG21 THR A 36 7.706 15.273 4.153 1.00 4.01 H new ATOM 0 HG22 THR A 36 9.175 14.511 3.498 1.00 4.01 H new ATOM 0 HG23 THR A 36 8.446 13.893 4.999 1.00 4.01 H new ATOM 617 N VAL A 37 12.260 15.506 3.677 1.00 12.32 N ATOM 618 CA VAL A 37 12.974 15.167 2.452 1.00 53.41 C ATOM 619 C VAL A 37 14.164 14.260 2.742 1.00 1.45 C ATOM 620 O VAL A 37 14.240 13.138 2.241 1.00 3.13 O ATOM 621 CB VAL A 37 13.471 16.431 1.724 1.00 35.32 C ATOM 622 CG1 VAL A 37 14.239 16.055 0.467 1.00 43.25 C ATOM 623 CG2 VAL A 37 12.303 17.347 1.391 1.00 11.35 C ATOM 0 H VAL A 37 12.363 16.478 3.970 1.00 12.32 H new ATOM 0 HA VAL A 37 12.268 14.640 1.810 1.00 53.41 H new ATOM 0 HB VAL A 37 14.148 16.969 2.387 1.00 35.32 H new ATOM 0 HG11 VAL A 37 14.582 16.960 -0.034 1.00 43.25 H new ATOM 0 HG12 VAL A 37 15.098 15.441 0.736 1.00 43.25 H new ATOM 0 HG13 VAL A 37 13.588 15.494 -0.203 1.00 43.25 H new ATOM 0 HG21 VAL A 37 12.672 18.235 0.877 1.00 11.35 H new ATOM 0 HG22 VAL A 37 11.600 16.820 0.746 1.00 11.35 H new ATOM 0 HG23 VAL A 37 11.799 17.643 2.311 1.00 11.35 H new ATOM 633 N HIS A 38 15.092 14.754 3.556 1.00 24.30 N ATOM 634 CA HIS A 38 16.280 13.987 3.915 1.00 62.01 C ATOM 635 C HIS A 38 15.898 12.602 4.427 1.00 22.44 C ATOM 636 O HIS A 38 16.669 11.649 4.307 1.00 73.12 O ATOM 637 CB HIS A 38 17.092 14.730 4.976 1.00 15.44 C ATOM 638 CG HIS A 38 18.389 15.277 4.465 1.00 72.12 C ATOM 639 ND1 HIS A 38 18.933 16.464 4.908 1.00 35.14 N ATOM 640 CD2 HIS A 38 19.252 14.791 3.543 1.00 62.41 C ATOM 641 CE1 HIS A 38 20.073 16.685 4.280 1.00 24.01 C ATOM 642 NE2 HIS A 38 20.291 15.684 3.446 1.00 34.12 N ATOM 0 H HIS A 38 15.044 15.681 3.979 1.00 24.30 H new ATOM 0 HA HIS A 38 16.890 13.869 3.019 1.00 62.01 H new ATOM 0 HB2 HIS A 38 16.493 15.550 5.372 1.00 15.44 H new ATOM 0 HB3 HIS A 38 17.295 14.053 5.806 1.00 15.44 H new ATOM 0 HD1 HIS A 38 18.519 17.076 5.611 1.00 35.14 H new ATOM 0 HD2 HIS A 38 19.144 13.872 2.987 1.00 62.41 H new ATOM 0 HE1 HIS A 38 20.718 17.539 4.424 1.00 24.01 H new ATOM 650 N LYS A 39 14.704 12.497 5.001 1.00 61.35 N ATOM 651 CA LYS A 39 14.218 11.228 5.531 1.00 4.53 C ATOM 652 C LYS A 39 14.118 10.180 4.428 1.00 31.33 C ATOM 653 O LYS A 39 14.546 9.039 4.603 1.00 64.23 O ATOM 654 CB LYS A 39 12.852 11.419 6.194 1.00 3.23 C ATOM 655 CG LYS A 39 12.253 10.132 6.734 1.00 3.12 C ATOM 656 CD LYS A 39 11.172 10.410 7.765 1.00 72.31 C ATOM 657 CE LYS A 39 11.369 9.572 9.019 1.00 71.10 C ATOM 658 NZ LYS A 39 10.138 9.528 9.856 1.00 73.34 N ATOM 0 H LYS A 39 14.055 13.276 5.111 1.00 61.35 H new ATOM 0 HA LYS A 39 14.931 10.877 6.277 1.00 4.53 H new ATOM 0 HB2 LYS A 39 12.951 12.135 7.010 1.00 3.23 H new ATOM 0 HB3 LYS A 39 12.164 11.854 5.470 1.00 3.23 H new ATOM 0 HG2 LYS A 39 11.833 9.552 5.912 1.00 3.12 H new ATOM 0 HG3 LYS A 39 13.038 9.525 7.184 1.00 3.12 H new ATOM 0 HD2 LYS A 39 11.182 11.468 8.028 1.00 72.31 H new ATOM 0 HD3 LYS A 39 10.194 10.198 7.334 1.00 72.31 H new ATOM 0 HE2 LYS A 39 11.653 8.558 8.737 1.00 71.10 H new ATOM 0 HE3 LYS A 39 12.192 9.982 9.604 1.00 71.10 H new ATOM 0 HZ1 LYS A 39 10.313 8.947 10.701 1.00 73.34 H new ATOM 0 HZ2 LYS A 39 9.881 10.493 10.146 1.00 73.34 H new ATOM 0 HZ3 LYS A 39 9.359 9.113 9.306 1.00 73.34 H new ATOM 672 N ASP A 40 13.551 10.574 3.293 1.00 21.14 N ATOM 673 CA ASP A 40 13.397 9.668 2.161 1.00 41.32 C ATOM 674 C ASP A 40 14.652 9.665 1.293 1.00 31.13 C ATOM 675 O ASP A 40 15.025 8.637 0.727 1.00 62.31 O ATOM 676 CB ASP A 40 12.183 10.069 1.322 1.00 52.05 C ATOM 677 CG ASP A 40 10.880 9.565 1.911 1.00 40.22 C ATOM 678 OD1 ASP A 40 10.850 8.410 2.385 1.00 63.01 O ATOM 679 OD2 ASP A 40 9.890 10.326 1.899 1.00 43.42 O ATOM 0 H ASP A 40 13.191 11.515 3.133 1.00 21.14 H new ATOM 0 HA ASP A 40 13.244 8.662 2.550 1.00 41.32 H new ATOM 0 HB2 ASP A 40 12.145 11.155 1.239 1.00 52.05 H new ATOM 0 HB3 ASP A 40 12.298 9.676 0.312 1.00 52.05 H new ATOM 684 N LEU A 41 15.298 10.821 1.192 1.00 2.15 N ATOM 685 CA LEU A 41 16.511 10.952 0.393 1.00 42.33 C ATOM 686 C LEU A 41 17.617 10.048 0.928 1.00 11.21 C ATOM 687 O LEU A 41 18.593 9.764 0.233 1.00 4.34 O ATOM 688 CB LEU A 41 16.985 12.407 0.384 1.00 22.42 C ATOM 689 CG LEU A 41 16.380 13.304 -0.696 1.00 72.41 C ATOM 690 CD1 LEU A 41 17.195 13.220 -1.977 1.00 53.54 C ATOM 691 CD2 LEU A 41 14.931 12.920 -0.958 1.00 33.43 C ATOM 0 H LEU A 41 15.002 11.681 1.653 1.00 2.15 H new ATOM 0 HA LEU A 41 16.279 10.645 -0.627 1.00 42.33 H new ATOM 0 HB2 LEU A 41 16.765 12.846 1.357 1.00 22.42 H new ATOM 0 HB3 LEU A 41 18.069 12.414 0.269 1.00 22.42 H new ATOM 0 HG LEU A 41 16.404 14.334 -0.341 1.00 72.41 H new ATOM 0 HD11 LEU A 41 16.750 13.865 -2.735 1.00 53.54 H new ATOM 0 HD12 LEU A 41 18.217 13.544 -1.780 1.00 53.54 H new ATOM 0 HD13 LEU A 41 17.203 12.191 -2.336 1.00 53.54 H new ATOM 0 HD21 LEU A 41 14.516 13.569 -1.729 1.00 33.43 H new ATOM 0 HD22 LEU A 41 14.884 11.883 -1.292 1.00 33.43 H new ATOM 0 HD23 LEU A 41 14.353 13.032 -0.041 1.00 33.43 H new ATOM 703 N THR A 42 17.456 9.596 2.168 1.00 4.31 N ATOM 704 CA THR A 42 18.440 8.724 2.797 1.00 71.42 C ATOM 705 C THR A 42 17.838 7.361 3.121 1.00 65.25 C ATOM 706 O THR A 42 18.500 6.504 3.705 1.00 63.33 O ATOM 707 CB THR A 42 18.998 9.346 4.091 1.00 51.25 C ATOM 708 OG1 THR A 42 17.978 9.386 5.095 1.00 54.35 O ATOM 709 CG2 THR A 42 19.519 10.752 3.833 1.00 10.15 C ATOM 0 H THR A 42 16.653 9.820 2.756 1.00 4.31 H new ATOM 0 HA THR A 42 19.254 8.600 2.083 1.00 71.42 H new ATOM 0 HB THR A 42 19.825 8.727 4.439 1.00 51.25 H new ATOM 0 HG1 THR A 42 17.377 10.140 4.921 1.00 54.35 H new ATOM 0 HG21 THR A 42 19.908 11.172 4.761 1.00 10.15 H new ATOM 0 HG22 THR A 42 20.315 10.714 3.090 1.00 10.15 H new ATOM 0 HG23 THR A 42 18.707 11.379 3.464 1.00 10.15 H new ATOM 717 N GLU A 43 16.580 7.168 2.736 1.00 25.14 N ATOM 718 CA GLU A 43 15.891 5.908 2.987 1.00 72.31 C ATOM 719 C GLU A 43 15.386 5.296 1.683 1.00 32.55 C ATOM 720 O GLU A 43 15.938 4.310 1.193 1.00 13.34 O ATOM 721 CB GLU A 43 14.721 6.124 3.949 1.00 74.43 C ATOM 722 CG GLU A 43 15.148 6.319 5.394 1.00 63.14 C ATOM 723 CD GLU A 43 15.349 5.006 6.125 1.00 32.12 C ATOM 724 OE1 GLU A 43 14.421 4.170 6.111 1.00 10.50 O ATOM 725 OE2 GLU A 43 16.435 4.814 6.712 1.00 54.21 O ATOM 0 H GLU A 43 16.018 7.867 2.250 1.00 25.14 H new ATOM 0 HA GLU A 43 16.602 5.218 3.441 1.00 72.31 H new ATOM 0 HB2 GLU A 43 14.153 6.996 3.626 1.00 74.43 H new ATOM 0 HB3 GLU A 43 14.050 5.267 3.890 1.00 74.43 H new ATOM 0 HG2 GLU A 43 16.075 6.891 5.421 1.00 63.14 H new ATOM 0 HG3 GLU A 43 14.394 6.909 5.915 1.00 63.14 H new ATOM 732 N ARG A 44 14.333 5.886 1.128 1.00 12.31 N ATOM 733 CA ARG A 44 13.752 5.399 -0.117 1.00 33.21 C ATOM 734 C ARG A 44 14.685 5.667 -1.294 1.00 72.21 C ATOM 735 O ARG A 44 14.970 4.772 -2.091 1.00 32.42 O ATOM 736 CB ARG A 44 12.396 6.062 -0.366 1.00 32.02 C ATOM 737 CG ARG A 44 11.293 5.556 0.550 1.00 70.24 C ATOM 738 CD ARG A 44 10.486 4.448 -0.110 1.00 2.22 C ATOM 739 NE ARG A 44 9.549 3.825 0.821 1.00 23.01 N ATOM 740 CZ ARG A 44 9.911 2.949 1.752 1.00 62.35 C ATOM 741 NH1 ARG A 44 11.183 2.595 1.875 1.00 71.44 N ATOM 742 NH2 ARG A 44 9.000 2.425 2.562 1.00 40.13 N ATOM 0 H ARG A 44 13.864 6.702 1.521 1.00 12.31 H new ATOM 0 HA ARG A 44 13.611 4.322 -0.026 1.00 33.21 H new ATOM 0 HB2 ARG A 44 12.499 7.139 -0.236 1.00 32.02 H new ATOM 0 HB3 ARG A 44 12.103 5.892 -1.402 1.00 32.02 H new ATOM 0 HG2 ARG A 44 11.730 5.186 1.478 1.00 70.24 H new ATOM 0 HG3 ARG A 44 10.632 6.381 0.815 1.00 70.24 H new ATOM 0 HD2 ARG A 44 9.937 4.856 -0.959 1.00 2.22 H new ATOM 0 HD3 ARG A 44 11.164 3.691 -0.503 1.00 2.22 H new ATOM 0 HE ARG A 44 8.563 4.076 0.753 1.00 23.01 H new ATOM 0 HH11 ARG A 44 11.886 2.995 1.254 1.00 71.44 H new ATOM 0 HH12 ARG A 44 11.458 1.922 2.591 1.00 71.44 H new ATOM 0 HH21 ARG A 44 8.021 2.695 2.470 1.00 40.13 H new ATOM 0 HH22 ARG A 44 9.279 1.753 3.276 1.00 40.13 H new ATOM 756 N LEU A 45 15.157 6.904 -1.398 1.00 51.11 N ATOM 757 CA LEU A 45 16.058 7.291 -2.478 1.00 72.03 C ATOM 758 C LEU A 45 17.134 6.232 -2.695 1.00 50.05 C ATOM 759 O LEU A 45 17.279 5.673 -3.783 1.00 32.33 O ATOM 760 CB LEU A 45 16.709 8.640 -2.167 1.00 71.25 C ATOM 761 CG LEU A 45 18.098 8.868 -2.764 1.00 62.10 C ATOM 762 CD1 LEU A 45 18.098 8.556 -4.252 1.00 71.34 C ATOM 763 CD2 LEU A 45 18.556 10.298 -2.517 1.00 65.13 C ATOM 0 H LEU A 45 14.931 7.657 -0.748 1.00 51.11 H new ATOM 0 HA LEU A 45 15.472 7.380 -3.393 1.00 72.03 H new ATOM 0 HB2 LEU A 45 16.048 9.430 -2.523 1.00 71.25 H new ATOM 0 HB3 LEU A 45 16.779 8.746 -1.084 1.00 71.25 H new ATOM 0 HG LEU A 45 18.799 8.193 -2.273 1.00 62.10 H new ATOM 0 HD11 LEU A 45 19.095 8.724 -4.659 1.00 71.34 H new ATOM 0 HD12 LEU A 45 17.814 7.515 -4.405 1.00 71.34 H new ATOM 0 HD13 LEU A 45 17.385 9.205 -4.760 1.00 71.34 H new ATOM 0 HD21 LEU A 45 19.546 10.443 -2.949 1.00 65.13 H new ATOM 0 HD22 LEU A 45 17.853 10.990 -2.981 1.00 65.13 H new ATOM 0 HD23 LEU A 45 18.597 10.487 -1.444 1.00 65.13 H new ATOM 775 N PRO A 46 17.907 5.947 -1.637 1.00 14.33 N ATOM 776 CA PRO A 46 18.981 4.951 -1.686 1.00 2.52 C ATOM 777 C PRO A 46 18.447 3.528 -1.803 1.00 24.12 C ATOM 778 O PRO A 46 19.090 2.662 -2.395 1.00 72.25 O ATOM 779 CB PRO A 46 19.704 5.143 -0.350 1.00 40.52 C ATOM 780 CG PRO A 46 18.675 5.723 0.558 1.00 52.14 C ATOM 781 CD PRO A 46 17.790 6.575 -0.310 1.00 2.22 C ATOM 0 HA PRO A 46 19.623 5.086 -2.557 1.00 2.52 H new ATOM 0 HB2 PRO A 46 20.083 4.196 0.035 1.00 40.52 H new ATOM 0 HB3 PRO A 46 20.560 5.810 -0.455 1.00 40.52 H new ATOM 0 HG2 PRO A 46 18.101 4.938 1.049 1.00 52.14 H new ATOM 0 HG3 PRO A 46 19.139 6.318 1.345 1.00 52.14 H new ATOM 0 HD2 PRO A 46 16.759 6.575 0.045 1.00 2.22 H new ATOM 0 HD3 PRO A 46 18.122 7.613 -0.326 1.00 2.22 H new ATOM 789 N GLU A 47 17.269 3.294 -1.234 1.00 53.01 N ATOM 790 CA GLU A 47 16.650 1.974 -1.275 1.00 51.34 C ATOM 791 C GLU A 47 16.296 1.584 -2.708 1.00 21.25 C ATOM 792 O GLU A 47 16.510 0.444 -3.122 1.00 44.32 O ATOM 793 CB GLU A 47 15.393 1.948 -0.403 1.00 2.32 C ATOM 794 CG GLU A 47 15.644 1.453 1.011 1.00 24.14 C ATOM 795 CD GLU A 47 15.232 0.006 1.205 1.00 41.53 C ATOM 796 OE1 GLU A 47 14.089 -0.338 0.838 1.00 13.24 O ATOM 797 OE2 GLU A 47 16.052 -0.781 1.722 1.00 13.31 O ATOM 0 H GLU A 47 16.724 4.000 -0.739 1.00 53.01 H new ATOM 0 HA GLU A 47 17.368 1.252 -0.886 1.00 51.34 H new ATOM 0 HB2 GLU A 47 14.971 2.952 -0.358 1.00 2.32 H new ATOM 0 HB3 GLU A 47 14.646 1.310 -0.875 1.00 2.32 H new ATOM 0 HG2 GLU A 47 16.703 1.560 1.247 1.00 24.14 H new ATOM 0 HG3 GLU A 47 15.096 2.080 1.714 1.00 24.14 H new ATOM 804 N ILE A 48 15.753 2.537 -3.457 1.00 61.13 N ATOM 805 CA ILE A 48 15.370 2.293 -4.842 1.00 40.34 C ATOM 806 C ILE A 48 16.513 2.625 -5.795 1.00 64.14 C ATOM 807 O ILE A 48 16.590 2.088 -6.899 1.00 61.34 O ATOM 808 CB ILE A 48 14.131 3.119 -5.238 1.00 24.14 C ATOM 809 CG1 ILE A 48 14.348 4.596 -4.901 1.00 75.24 C ATOM 810 CG2 ILE A 48 12.893 2.586 -4.534 1.00 33.55 C ATOM 811 CD1 ILE A 48 13.946 5.535 -6.017 1.00 73.43 C ATOM 0 H ILE A 48 15.568 3.485 -3.129 1.00 61.13 H new ATOM 0 HA ILE A 48 15.130 1.233 -4.921 1.00 40.34 H new ATOM 0 HB ILE A 48 13.980 3.029 -6.314 1.00 24.14 H new ATOM 0 HG12 ILE A 48 13.778 4.844 -4.005 1.00 75.24 H new ATOM 0 HG13 ILE A 48 15.400 4.756 -4.664 1.00 75.24 H new ATOM 0 HG21 ILE A 48 12.026 3.180 -4.824 1.00 33.55 H new ATOM 0 HG22 ILE A 48 12.732 1.546 -4.818 1.00 33.55 H new ATOM 0 HG23 ILE A 48 13.032 2.650 -3.455 1.00 33.55 H new ATOM 0 HD11 ILE A 48 14.127 6.565 -5.709 1.00 73.43 H new ATOM 0 HD12 ILE A 48 14.534 5.314 -6.908 1.00 73.43 H new ATOM 0 HD13 ILE A 48 12.887 5.404 -6.239 1.00 73.43 H new ATOM 823 N ASN A 49 17.401 3.513 -5.359 1.00 62.34 N ATOM 824 CA ASN A 49 18.542 3.915 -6.173 1.00 43.44 C ATOM 825 C ASN A 49 19.732 4.289 -5.295 1.00 24.11 C ATOM 826 O ASN A 49 19.817 5.394 -4.759 1.00 23.14 O ATOM 827 CB ASN A 49 18.165 5.097 -7.069 1.00 73.12 C ATOM 828 CG ASN A 49 17.526 4.654 -8.371 1.00 40.24 C ATOM 829 OD1 ASN A 49 18.178 4.046 -9.220 1.00 61.12 O ATOM 830 ND2 ASN A 49 16.244 4.959 -8.535 1.00 32.41 N ATOM 0 H ASN A 49 17.352 3.967 -4.447 1.00 62.34 H new ATOM 0 HA ASN A 49 18.826 3.069 -6.799 1.00 43.44 H new ATOM 0 HB2 ASN A 49 17.476 5.751 -6.533 1.00 73.12 H new ATOM 0 HB3 ASN A 49 19.057 5.684 -7.286 1.00 73.12 H new ATOM 0 HD21 ASN A 49 15.761 4.688 -9.391 1.00 32.41 H new ATOM 0 HD22 ASN A 49 15.742 5.464 -7.805 1.00 32.41 H new ATOM 837 N PRO A 50 20.675 3.347 -5.143 1.00 71.45 N ATOM 838 CA PRO A 50 21.878 3.554 -4.332 1.00 61.40 C ATOM 839 C PRO A 50 22.840 4.553 -4.966 1.00 31.22 C ATOM 840 O PRO A 50 23.438 5.378 -4.274 1.00 73.34 O ATOM 841 CB PRO A 50 22.513 2.162 -4.277 1.00 74.30 C ATOM 842 CG PRO A 50 22.022 1.473 -5.504 1.00 4.12 C ATOM 843 CD PRO A 50 20.639 2.007 -5.753 1.00 71.23 C ATOM 0 HA PRO A 50 21.642 3.969 -3.352 1.00 61.40 H new ATOM 0 HB2 PRO A 50 23.601 2.223 -4.266 1.00 74.30 H new ATOM 0 HB3 PRO A 50 22.215 1.626 -3.376 1.00 74.30 H new ATOM 0 HG2 PRO A 50 22.676 1.673 -6.352 1.00 4.12 H new ATOM 0 HG3 PRO A 50 22.004 0.392 -5.364 1.00 4.12 H new ATOM 0 HD2 PRO A 50 20.413 2.056 -6.818 1.00 71.23 H new ATOM 0 HD3 PRO A 50 19.877 1.377 -5.294 1.00 71.23 H new ATOM 851 N ASP A 51 22.984 4.474 -6.284 1.00 22.50 N ATOM 852 CA ASP A 51 23.873 5.372 -7.011 1.00 53.43 C ATOM 853 C ASP A 51 23.383 6.814 -6.918 1.00 12.14 C ATOM 854 O ASP A 51 24.150 7.722 -6.594 1.00 51.02 O ATOM 855 CB ASP A 51 23.973 4.949 -8.478 1.00 13.04 C ATOM 856 CG ASP A 51 24.913 3.777 -8.679 1.00 44.30 C ATOM 857 OD1 ASP A 51 26.138 3.966 -8.524 1.00 44.12 O ATOM 858 OD2 ASP A 51 24.425 2.671 -8.991 1.00 13.45 O ATOM 0 H ASP A 51 22.496 3.797 -6.871 1.00 22.50 H new ATOM 0 HA ASP A 51 24.861 5.312 -6.555 1.00 53.43 H new ATOM 0 HB2 ASP A 51 22.982 4.683 -8.845 1.00 13.04 H new ATOM 0 HB3 ASP A 51 24.318 5.794 -9.074 1.00 13.04 H new ATOM 863 N LEU A 52 22.102 7.018 -7.203 1.00 74.23 N ATOM 864 CA LEU A 52 21.509 8.350 -7.152 1.00 74.33 C ATOM 865 C LEU A 52 21.549 8.910 -5.734 1.00 60.31 C ATOM 866 O LEU A 52 21.573 10.124 -5.536 1.00 50.11 O ATOM 867 CB LEU A 52 20.064 8.306 -7.655 1.00 4.13 C ATOM 868 CG LEU A 52 19.703 9.315 -8.745 1.00 74.35 C ATOM 869 CD1 LEU A 52 18.284 9.079 -9.241 1.00 10.54 C ATOM 870 CD2 LEU A 52 19.860 10.738 -8.230 1.00 24.42 C ATOM 0 H LEU A 52 21.454 6.278 -7.472 1.00 74.23 H new ATOM 0 HA LEU A 52 22.093 9.006 -7.798 1.00 74.33 H new ATOM 0 HB2 LEU A 52 19.862 7.304 -8.034 1.00 4.13 H new ATOM 0 HB3 LEU A 52 19.400 8.465 -6.806 1.00 4.13 H new ATOM 0 HG LEU A 52 20.387 9.176 -9.582 1.00 74.35 H new ATOM 0 HD11 LEU A 52 18.044 9.806 -10.017 1.00 10.54 H new ATOM 0 HD12 LEU A 52 18.205 8.072 -9.651 1.00 10.54 H new ATOM 0 HD13 LEU A 52 17.586 9.189 -8.411 1.00 10.54 H new ATOM 0 HD21 LEU A 52 19.599 11.442 -9.020 1.00 24.42 H new ATOM 0 HD22 LEU A 52 19.201 10.890 -7.375 1.00 24.42 H new ATOM 0 HD23 LEU A 52 20.893 10.903 -7.925 1.00 24.42 H new ATOM 882 N ALA A 53 21.558 8.016 -4.751 1.00 25.05 N ATOM 883 CA ALA A 53 21.601 8.421 -3.351 1.00 34.21 C ATOM 884 C ALA A 53 22.923 9.103 -3.016 1.00 72.31 C ATOM 885 O ALA A 53 22.999 9.909 -2.090 1.00 20.31 O ATOM 886 CB ALA A 53 21.382 7.217 -2.447 1.00 34.15 C ATOM 0 H ALA A 53 21.536 7.007 -4.898 1.00 25.05 H new ATOM 0 HA ALA A 53 20.799 9.140 -3.182 1.00 34.21 H new ATOM 0 HB1 ALA A 53 21.417 7.534 -1.405 1.00 34.15 H new ATOM 0 HB2 ALA A 53 20.409 6.774 -2.660 1.00 34.15 H new ATOM 0 HB3 ALA A 53 22.164 6.479 -2.628 1.00 34.15 H new ATOM 892 N ASN A 54 23.962 8.773 -3.776 1.00 3.21 N ATOM 893 CA ASN A 54 25.282 9.353 -3.558 1.00 45.43 C ATOM 894 C ASN A 54 25.287 10.840 -3.902 1.00 33.10 C ATOM 895 O ASN A 54 25.967 11.634 -3.254 1.00 11.33 O ATOM 896 CB ASN A 54 26.329 8.621 -4.400 1.00 64.10 C ATOM 897 CG ASN A 54 27.334 7.870 -3.548 1.00 20.12 C ATOM 898 OD1 ASN A 54 27.776 8.363 -2.510 1.00 44.22 O ATOM 899 ND2 ASN A 54 27.699 6.670 -3.984 1.00 23.25 N ATOM 0 H ASN A 54 23.916 8.108 -4.548 1.00 3.21 H new ATOM 0 HA ASN A 54 25.530 9.241 -2.503 1.00 45.43 H new ATOM 0 HB2 ASN A 54 25.829 7.921 -5.069 1.00 64.10 H new ATOM 0 HB3 ASN A 54 26.855 9.341 -5.027 1.00 64.10 H new ATOM 0 HD21 ASN A 54 28.372 6.117 -3.453 1.00 23.25 H new ATOM 0 HD22 ASN A 54 27.307 6.301 -4.850 1.00 23.25 H new ATOM 906 N GLU A 55 24.522 11.207 -4.926 1.00 1.35 N ATOM 907 CA GLU A 55 24.438 12.598 -5.355 1.00 4.42 C ATOM 908 C GLU A 55 24.112 13.512 -4.177 1.00 51.43 C ATOM 909 O GLU A 55 24.859 14.443 -3.873 1.00 73.42 O ATOM 910 CB GLU A 55 23.377 12.756 -6.446 1.00 64.51 C ATOM 911 CG GLU A 55 23.517 11.753 -7.579 1.00 74.13 C ATOM 912 CD GLU A 55 22.655 12.103 -8.777 1.00 44.12 C ATOM 913 OE1 GLU A 55 21.952 13.134 -8.720 1.00 71.53 O ATOM 914 OE2 GLU A 55 22.684 11.347 -9.771 1.00 4.43 O ATOM 0 H GLU A 55 23.953 10.561 -5.473 1.00 1.35 H new ATOM 0 HA GLU A 55 25.409 12.886 -5.758 1.00 4.42 H new ATOM 0 HB2 GLU A 55 22.389 12.651 -5.998 1.00 64.51 H new ATOM 0 HB3 GLU A 55 23.436 13.765 -6.855 1.00 64.51 H new ATOM 0 HG2 GLU A 55 24.561 11.704 -7.889 1.00 74.13 H new ATOM 0 HG3 GLU A 55 23.245 10.761 -7.217 1.00 74.13 H new ATOM 921 N VAL A 56 22.990 13.241 -3.518 1.00 71.31 N ATOM 922 CA VAL A 56 22.564 14.037 -2.374 1.00 14.23 C ATOM 923 C VAL A 56 23.551 13.912 -1.219 1.00 10.31 C ATOM 924 O VAL A 56 23.672 14.815 -0.390 1.00 34.41 O ATOM 925 CB VAL A 56 21.165 13.616 -1.886 1.00 74.44 C ATOM 926 CG1 VAL A 56 21.183 12.179 -1.387 1.00 5.24 C ATOM 927 CG2 VAL A 56 20.672 14.560 -0.801 1.00 1.34 C ATOM 0 H VAL A 56 22.360 12.476 -3.757 1.00 71.31 H new ATOM 0 HA VAL A 56 22.528 15.074 -2.707 1.00 14.23 H new ATOM 0 HB VAL A 56 20.474 13.674 -2.727 1.00 74.44 H new ATOM 0 HG11 VAL A 56 20.186 11.900 -1.046 1.00 5.24 H new ATOM 0 HG12 VAL A 56 21.489 11.516 -2.197 1.00 5.24 H new ATOM 0 HG13 VAL A 56 21.887 12.090 -0.560 1.00 5.24 H new ATOM 0 HG21 VAL A 56 19.682 14.247 -0.469 1.00 1.34 H new ATOM 0 HG22 VAL A 56 21.362 14.537 0.042 1.00 1.34 H new ATOM 0 HG23 VAL A 56 20.618 15.574 -1.198 1.00 1.34 H new ATOM 937 N LYS A 57 24.257 12.788 -1.170 1.00 71.33 N ATOM 938 CA LYS A 57 25.236 12.543 -0.118 1.00 45.53 C ATOM 939 C LYS A 57 26.499 13.369 -0.348 1.00 35.22 C ATOM 940 O LYS A 57 27.191 13.737 0.601 1.00 74.13 O ATOM 941 CB LYS A 57 25.591 11.056 -0.058 1.00 70.14 C ATOM 942 CG LYS A 57 26.843 10.761 0.749 1.00 11.04 C ATOM 943 CD LYS A 57 26.705 11.238 2.186 1.00 60.24 C ATOM 944 CE LYS A 57 25.666 10.427 2.945 1.00 61.12 C ATOM 945 NZ LYS A 57 26.294 9.509 3.935 1.00 1.44 N ATOM 0 H LYS A 57 24.169 12.031 -1.848 1.00 71.33 H new ATOM 0 HA LYS A 57 24.794 12.843 0.832 1.00 45.53 H new ATOM 0 HB2 LYS A 57 24.753 10.508 0.374 1.00 70.14 H new ATOM 0 HB3 LYS A 57 25.727 10.682 -1.073 1.00 70.14 H new ATOM 0 HG2 LYS A 57 27.040 9.689 0.738 1.00 11.04 H new ATOM 0 HG3 LYS A 57 27.700 11.248 0.284 1.00 11.04 H new ATOM 0 HD2 LYS A 57 27.668 11.160 2.690 1.00 60.24 H new ATOM 0 HD3 LYS A 57 26.424 12.291 2.196 1.00 60.24 H new ATOM 0 HE2 LYS A 57 24.982 11.103 3.459 1.00 61.12 H new ATOM 0 HE3 LYS A 57 25.071 9.848 2.239 1.00 61.12 H new ATOM 0 HZ1 LYS A 57 25.553 8.974 4.431 1.00 1.44 H new ATOM 0 HZ2 LYS A 57 26.927 8.847 3.442 1.00 1.44 H new ATOM 0 HZ3 LYS A 57 26.841 10.063 4.624 1.00 1.44 H new ATOM 959 N GLU A 58 26.790 13.657 -1.612 1.00 63.44 N ATOM 960 CA GLU A 58 27.969 14.439 -1.965 1.00 1.34 C ATOM 961 C GLU A 58 27.858 15.863 -1.426 1.00 72.21 C ATOM 962 O GLU A 58 28.747 16.343 -0.723 1.00 21.35 O ATOM 963 CB GLU A 58 28.153 14.470 -3.483 1.00 64.23 C ATOM 964 CG GLU A 58 28.691 13.170 -4.057 1.00 73.44 C ATOM 965 CD GLU A 58 29.414 13.369 -5.375 1.00 74.44 C ATOM 966 OE1 GLU A 58 28.767 13.820 -6.344 1.00 32.12 O ATOM 967 OE2 GLU A 58 30.625 13.073 -5.439 1.00 21.02 O ATOM 0 H GLU A 58 26.226 13.361 -2.409 1.00 63.44 H new ATOM 0 HA GLU A 58 28.838 13.963 -1.511 1.00 1.34 H new ATOM 0 HB2 GLU A 58 27.195 14.696 -3.952 1.00 64.23 H new ATOM 0 HB3 GLU A 58 28.834 15.281 -3.742 1.00 64.23 H new ATOM 0 HG2 GLU A 58 29.372 12.714 -3.338 1.00 73.44 H new ATOM 0 HG3 GLU A 58 27.866 12.472 -4.201 1.00 73.44 H new ATOM 974 N ILE A 59 26.760 16.532 -1.762 1.00 43.15 N ATOM 975 CA ILE A 59 26.532 17.900 -1.313 1.00 22.32 C ATOM 976 C ILE A 59 26.525 17.984 0.210 1.00 64.22 C ATOM 977 O ILE A 59 26.891 19.008 0.788 1.00 51.44 O ATOM 978 CB ILE A 59 25.201 18.455 -1.852 1.00 50.14 C ATOM 979 CG1 ILE A 59 24.030 17.601 -1.362 1.00 24.25 C ATOM 980 CG2 ILE A 59 25.226 18.506 -3.373 1.00 33.12 C ATOM 981 CD1 ILE A 59 22.677 18.133 -1.779 1.00 3.04 C ATOM 0 H ILE A 59 26.015 16.149 -2.343 1.00 43.15 H new ATOM 0 HA ILE A 59 27.352 18.502 -1.705 1.00 22.32 H new ATOM 0 HB ILE A 59 25.069 19.469 -1.475 1.00 50.14 H new ATOM 0 HG12 ILE A 59 24.146 16.587 -1.744 1.00 24.25 H new ATOM 0 HG13 ILE A 59 24.067 17.538 -0.274 1.00 24.25 H new ATOM 0 HG21 ILE A 59 24.278 18.900 -3.739 1.00 33.12 H new ATOM 0 HG22 ILE A 59 26.040 19.152 -3.702 1.00 33.12 H new ATOM 0 HG23 ILE A 59 25.378 17.502 -3.768 1.00 33.12 H new ATOM 0 HD11 ILE A 59 21.895 17.477 -1.397 1.00 3.04 H new ATOM 0 HD12 ILE A 59 22.540 19.136 -1.375 1.00 3.04 H new ATOM 0 HD13 ILE A 59 22.620 18.170 -2.867 1.00 3.04 H new ATOM 993 N LEU A 60 26.109 16.900 0.855 1.00 60.33 N ATOM 994 CA LEU A 60 26.056 16.849 2.312 1.00 43.13 C ATOM 995 C LEU A 60 27.449 17.011 2.913 1.00 52.21 C ATOM 996 O LEU A 60 27.643 17.779 3.856 1.00 63.25 O ATOM 997 CB LEU A 60 25.439 15.528 2.774 1.00 65.22 C ATOM 998 CG LEU A 60 23.912 15.458 2.757 1.00 61.00 C ATOM 999 CD1 LEU A 60 23.435 14.089 3.217 1.00 42.11 C ATOM 1000 CD2 LEU A 60 23.318 16.553 3.631 1.00 4.02 C ATOM 0 H LEU A 60 25.803 16.044 0.392 1.00 60.33 H new ATOM 0 HA LEU A 60 25.433 17.674 2.658 1.00 43.13 H new ATOM 0 HB2 LEU A 60 25.826 14.729 2.142 1.00 65.22 H new ATOM 0 HB3 LEU A 60 25.781 15.326 3.789 1.00 65.22 H new ATOM 0 HG LEU A 60 23.572 15.613 1.733 1.00 61.00 H new ATOM 0 HD11 LEU A 60 22.346 14.058 3.198 1.00 42.11 H new ATOM 0 HD12 LEU A 60 23.831 13.323 2.551 1.00 42.11 H new ATOM 0 HD13 LEU A 60 23.786 13.904 4.232 1.00 42.11 H new ATOM 0 HD21 LEU A 60 22.230 16.488 3.607 1.00 4.02 H new ATOM 0 HD22 LEU A 60 23.666 16.429 4.656 1.00 4.02 H new ATOM 0 HD23 LEU A 60 23.631 17.528 3.257 1.00 4.02 H new ATOM 1012 N ASP A 61 28.414 16.285 2.360 1.00 2.21 N ATOM 1013 CA ASP A 61 29.790 16.351 2.839 1.00 31.24 C ATOM 1014 C ASP A 61 30.343 17.766 2.711 1.00 43.54 C ATOM 1015 O ASP A 61 31.248 18.160 3.447 1.00 23.52 O ATOM 1016 CB ASP A 61 30.671 15.373 2.061 1.00 70.34 C ATOM 1017 CG ASP A 61 31.953 15.036 2.797 1.00 72.13 C ATOM 1018 OD1 ASP A 61 32.140 15.541 3.924 1.00 64.33 O ATOM 1019 OD2 ASP A 61 32.768 14.267 2.246 1.00 21.13 O ATOM 0 H ASP A 61 28.269 15.644 1.580 1.00 2.21 H new ATOM 0 HA ASP A 61 29.795 16.073 3.893 1.00 31.24 H new ATOM 0 HB2 ASP A 61 30.112 14.456 1.872 1.00 70.34 H new ATOM 0 HB3 ASP A 61 30.916 15.803 1.090 1.00 70.34 H new ATOM 1024 N TYR A 62 29.795 18.527 1.770 1.00 53.20 N ATOM 1025 CA TYR A 62 30.236 19.898 1.542 1.00 12.11 C ATOM 1026 C TYR A 62 29.503 20.867 2.466 1.00 63.25 C ATOM 1027 O TYR A 62 30.018 21.935 2.798 1.00 14.10 O ATOM 1028 CB TYR A 62 30.005 20.294 0.083 1.00 44.32 C ATOM 1029 CG TYR A 62 29.997 21.789 -0.145 1.00 2.12 C ATOM 1030 CD1 TYR A 62 31.156 22.541 0.004 1.00 20.12 C ATOM 1031 CD2 TYR A 62 28.830 22.449 -0.510 1.00 4.41 C ATOM 1032 CE1 TYR A 62 31.153 23.907 -0.202 1.00 72.20 C ATOM 1033 CE2 TYR A 62 28.818 23.815 -0.720 1.00 21.14 C ATOM 1034 CZ TYR A 62 29.982 24.539 -0.564 1.00 14.10 C ATOM 1035 OH TYR A 62 29.975 25.899 -0.772 1.00 14.43 O ATOM 0 H TYR A 62 29.044 18.217 1.153 1.00 53.20 H new ATOM 0 HA TYR A 62 31.302 19.951 1.762 1.00 12.11 H new ATOM 0 HB2 TYR A 62 30.783 19.845 -0.534 1.00 44.32 H new ATOM 0 HB3 TYR A 62 29.054 19.879 -0.251 1.00 44.32 H new ATOM 0 HD1 TYR A 62 32.075 22.049 0.286 1.00 20.12 H new ATOM 0 HD2 TYR A 62 27.917 21.885 -0.632 1.00 4.41 H new ATOM 0 HE1 TYR A 62 32.062 24.477 -0.080 1.00 72.20 H new ATOM 0 HE2 TYR A 62 27.903 24.313 -1.005 1.00 21.14 H new ATOM 0 HH TYR A 62 29.072 26.187 -1.022 1.00 14.43 H new ATOM 1045 N HIS A 63 28.298 20.485 2.877 1.00 24.12 N ATOM 1046 CA HIS A 63 27.494 21.318 3.764 1.00 52.13 C ATOM 1047 C HIS A 63 28.201 21.532 5.098 1.00 1.15 C ATOM 1048 O HIS A 63 27.950 22.515 5.796 1.00 41.22 O ATOM 1049 CB HIS A 63 26.124 20.679 3.996 1.00 65.44 C ATOM 1050 CG HIS A 63 25.257 20.660 2.775 1.00 44.34 C ATOM 1051 ND1 HIS A 63 24.133 19.870 2.662 1.00 63.35 N ATOM 1052 CD2 HIS A 63 25.354 21.343 1.610 1.00 52.31 C ATOM 1053 CE1 HIS A 63 23.577 20.066 1.480 1.00 72.24 C ATOM 1054 NE2 HIS A 63 24.298 20.956 0.822 1.00 31.01 N ATOM 0 H HIS A 63 27.857 19.605 2.610 1.00 24.12 H new ATOM 0 HA HIS A 63 27.358 22.288 3.286 1.00 52.13 H new ATOM 0 HB2 HIS A 63 26.264 19.657 4.348 1.00 65.44 H new ATOM 0 HB3 HIS A 63 25.609 21.221 4.789 1.00 65.44 H new ATOM 0 HD2 HIS A 63 26.119 22.059 1.349 1.00 52.31 H new ATOM 0 HE1 HIS A 63 22.684 19.581 1.114 1.00 72.24 H new ATOM 0 HE2 HIS A 63 24.102 21.300 -0.118 1.00 31.01 H new ATOM 1062 N LYS A 64 29.086 20.605 5.449 1.00 60.11 N ATOM 1063 CA LYS A 64 29.831 20.691 6.699 1.00 13.15 C ATOM 1064 C LYS A 64 31.060 21.580 6.540 1.00 22.25 C ATOM 1065 O LYS A 64 31.539 22.172 7.508 1.00 61.24 O ATOM 1066 CB LYS A 64 30.254 19.295 7.162 1.00 13.13 C ATOM 1067 CG LYS A 64 29.086 18.400 7.540 1.00 24.12 C ATOM 1068 CD LYS A 64 29.508 17.318 8.521 1.00 53.41 C ATOM 1069 CE LYS A 64 29.860 16.023 7.805 1.00 15.31 C ATOM 1070 NZ LYS A 64 29.127 14.858 8.374 1.00 1.32 N ATOM 0 H LYS A 64 29.305 19.784 4.884 1.00 60.11 H new ATOM 0 HA LYS A 64 29.179 21.134 7.452 1.00 13.15 H new ATOM 0 HB2 LYS A 64 30.826 18.816 6.368 1.00 13.13 H new ATOM 0 HB3 LYS A 64 30.919 19.392 8.020 1.00 13.13 H new ATOM 0 HG2 LYS A 64 28.292 19.003 7.981 1.00 24.12 H new ATOM 0 HG3 LYS A 64 28.675 17.938 6.642 1.00 24.12 H new ATOM 0 HD2 LYS A 64 30.367 17.662 9.096 1.00 53.41 H new ATOM 0 HD3 LYS A 64 28.702 17.135 9.231 1.00 53.41 H new ATOM 0 HE2 LYS A 64 29.624 16.118 6.745 1.00 15.31 H new ATOM 0 HE3 LYS A 64 30.933 15.848 7.878 1.00 15.31 H new ATOM 0 HZ1 LYS A 64 29.394 13.995 7.859 1.00 1.32 H new ATOM 0 HZ2 LYS A 64 29.371 14.751 9.379 1.00 1.32 H new ATOM 0 HZ3 LYS A 64 28.103 15.013 8.281 1.00 1.32 H new ATOM 1084 N SER A 65 31.565 21.669 5.314 1.00 4.53 N ATOM 1085 CA SER A 65 32.741 22.484 5.030 1.00 53.34 C ATOM 1086 C SER A 65 32.456 23.960 5.294 1.00 30.43 C ATOM 1087 O SER A 65 33.180 24.618 6.042 1.00 35.03 O ATOM 1088 CB SER A 65 33.182 22.291 3.577 1.00 32.05 C ATOM 1089 OG SER A 65 32.834 21.001 3.106 1.00 32.42 O ATOM 0 H SER A 65 31.179 21.187 4.502 1.00 4.53 H new ATOM 0 HA SER A 65 33.544 22.162 5.693 1.00 53.34 H new ATOM 0 HB2 SER A 65 32.715 23.049 2.948 1.00 32.05 H new ATOM 0 HB3 SER A 65 34.260 22.432 3.499 1.00 32.05 H new ATOM 0 HG SER A 65 33.261 20.844 2.238 1.00 32.42 H new ATOM 1095 N ILE A 66 31.398 24.472 4.676 1.00 75.34 N ATOM 1096 CA ILE A 66 31.016 25.868 4.845 1.00 40.34 C ATOM 1097 C ILE A 66 30.164 26.058 6.095 1.00 75.23 C ATOM 1098 O ILE A 66 29.798 27.180 6.445 1.00 41.12 O ATOM 1099 CB ILE A 66 30.238 26.391 3.622 1.00 4.45 C ATOM 1100 CG1 ILE A 66 28.756 26.033 3.742 1.00 32.13 C ATOM 1101 CG2 ILE A 66 30.824 25.823 2.339 1.00 64.42 C ATOM 1102 CD1 ILE A 66 28.497 24.544 3.798 1.00 32.42 C ATOM 0 H ILE A 66 30.790 23.941 4.053 1.00 75.34 H new ATOM 0 HA ILE A 66 31.940 26.437 4.948 1.00 40.34 H new ATOM 0 HB ILE A 66 30.328 27.477 3.589 1.00 4.45 H new ATOM 0 HG12 ILE A 66 28.350 26.498 4.640 1.00 32.13 H new ATOM 0 HG13 ILE A 66 28.219 26.455 2.893 1.00 32.13 H new ATOM 0 HG21 ILE A 66 30.264 26.202 1.484 1.00 64.42 H new ATOM 0 HG22 ILE A 66 31.868 26.124 2.251 1.00 64.42 H new ATOM 0 HG23 ILE A 66 30.761 24.735 2.361 1.00 64.42 H new ATOM 0 HD11 ILE A 66 27.425 24.364 3.883 1.00 32.42 H new ATOM 0 HD12 ILE A 66 28.873 24.075 2.889 1.00 32.42 H new ATOM 0 HD13 ILE A 66 29.006 24.118 4.663 1.00 32.42 H new ATOM 1114 N ARG A 67 29.852 24.953 6.765 1.00 54.24 N ATOM 1115 CA ARG A 67 29.043 24.998 7.977 1.00 74.44 C ATOM 1116 C ARG A 67 29.592 26.027 8.960 1.00 41.12 C ATOM 1117 O ARG A 67 28.834 26.752 9.604 1.00 14.14 O ATOM 1118 CB ARG A 67 28.999 23.618 8.637 1.00 1.41 C ATOM 1119 CG ARG A 67 28.268 23.604 9.970 1.00 61.14 C ATOM 1120 CD ARG A 67 29.221 23.842 11.130 1.00 22.35 C ATOM 1121 NE ARG A 67 28.734 23.243 12.370 1.00 14.43 N ATOM 1122 CZ ARG A 67 27.805 23.801 13.140 1.00 63.32 C ATOM 1123 NH1 ARG A 67 27.267 24.963 12.798 1.00 13.13 N ATOM 1124 NH2 ARG A 67 27.413 23.195 14.253 1.00 25.34 N ATOM 0 H ARG A 67 30.147 24.016 6.489 1.00 54.24 H new ATOM 0 HA ARG A 67 28.031 25.293 7.698 1.00 74.44 H new ATOM 0 HB2 ARG A 67 28.514 22.915 7.959 1.00 1.41 H new ATOM 0 HB3 ARG A 67 30.019 23.264 8.788 1.00 1.41 H new ATOM 0 HG2 ARG A 67 27.494 24.372 9.970 1.00 61.14 H new ATOM 0 HG3 ARG A 67 27.766 22.645 10.101 1.00 61.14 H new ATOM 0 HD2 ARG A 67 30.199 23.427 10.887 1.00 22.35 H new ATOM 0 HD3 ARG A 67 29.356 24.914 11.274 1.00 22.35 H new ATOM 0 HE ARG A 67 29.128 22.348 12.661 1.00 14.43 H new ATOM 0 HH11 ARG A 67 27.566 25.431 11.942 1.00 13.13 H new ATOM 0 HH12 ARG A 67 26.554 25.389 13.390 1.00 13.13 H new ATOM 0 HH21 ARG A 67 27.824 22.300 14.519 1.00 25.34 H new ATOM 0 HH22 ARG A 67 26.700 23.624 14.843 1.00 25.34 H new ATOM 1138 N HIS A 68 30.916 26.085 9.070 1.00 55.11 N ATOM 1139 CA HIS A 68 31.567 27.026 9.975 1.00 71.25 C ATOM 1140 C HIS A 68 31.056 28.445 9.743 1.00 64.25 C ATOM 1141 O HIS A 68 30.956 29.240 10.678 1.00 44.45 O ATOM 1142 CB HIS A 68 33.084 26.980 9.786 1.00 35.14 C ATOM 1143 CG HIS A 68 33.825 26.524 11.005 1.00 33.24 C ATOM 1144 ND1 HIS A 68 33.868 27.251 12.176 1.00 35.12 N ATOM 1145 CD2 HIS A 68 34.553 25.406 11.232 1.00 64.23 C ATOM 1146 CE1 HIS A 68 34.592 26.601 13.069 1.00 31.14 C ATOM 1147 NE2 HIS A 68 35.019 25.478 12.521 1.00 25.34 N ATOM 0 H HIS A 68 31.558 25.492 8.544 1.00 55.11 H new ATOM 0 HA HIS A 68 31.326 26.735 10.998 1.00 71.25 H new ATOM 0 HB2 HIS A 68 33.319 26.312 8.957 1.00 35.14 H new ATOM 0 HB3 HIS A 68 33.437 27.972 9.506 1.00 35.14 H new ATOM 0 HD2 HIS A 68 34.734 24.606 10.529 1.00 64.23 H new ATOM 0 HE1 HIS A 68 34.800 26.932 14.076 1.00 31.14 H new ATOM 0 HE2 HIS A 68 35.601 24.778 12.981 1.00 25.34 H new ATOM 1155 N LEU A 69 30.735 28.756 8.492 1.00 64.45 N ATOM 1156 CA LEU A 69 30.236 30.079 8.136 1.00 13.32 C ATOM 1157 C LEU A 69 28.737 30.185 8.401 1.00 61.44 C ATOM 1158 O LEU A 69 28.221 31.266 8.685 1.00 64.23 O ATOM 1159 CB LEU A 69 30.528 30.378 6.665 1.00 53.23 C ATOM 1160 CG LEU A 69 32.001 30.364 6.257 1.00 42.34 C ATOM 1161 CD1 LEU A 69 32.147 29.971 4.795 1.00 74.03 C ATOM 1162 CD2 LEU A 69 32.638 31.723 6.511 1.00 31.21 C ATOM 0 H LEU A 69 30.812 28.109 7.707 1.00 64.45 H new ATOM 0 HA LEU A 69 30.749 30.813 8.758 1.00 13.32 H new ATOM 0 HB2 LEU A 69 29.996 29.649 6.054 1.00 53.23 H new ATOM 0 HB3 LEU A 69 30.115 31.358 6.425 1.00 53.23 H new ATOM 0 HG LEU A 69 32.519 29.622 6.865 1.00 42.34 H new ATOM 0 HD11 LEU A 69 33.203 29.967 4.523 1.00 74.03 H new ATOM 0 HD12 LEU A 69 31.729 28.976 4.642 1.00 74.03 H new ATOM 0 HD13 LEU A 69 31.614 30.688 4.170 1.00 74.03 H new ATOM 0 HD21 LEU A 69 33.687 31.694 6.215 1.00 31.21 H new ATOM 0 HD22 LEU A 69 32.117 32.483 5.929 1.00 31.21 H new ATOM 0 HD23 LEU A 69 32.567 31.966 7.571 1.00 31.21 H new ATOM 1174 N ARG A 70 28.044 29.054 8.307 1.00 1.42 N ATOM 1175 CA ARG A 70 26.605 29.020 8.537 1.00 31.52 C ATOM 1176 C ARG A 70 26.292 29.067 10.030 1.00 74.12 C ATOM 1177 O ARG A 70 25.212 29.496 10.435 1.00 72.34 O ATOM 1178 CB ARG A 70 25.998 27.759 7.918 1.00 44.13 C ATOM 1179 CG ARG A 70 26.419 27.527 6.476 1.00 75.54 C ATOM 1180 CD ARG A 70 25.805 26.253 5.915 1.00 30.01 C ATOM 1181 NE ARG A 70 24.513 26.501 5.282 1.00 73.14 N ATOM 1182 CZ ARG A 70 23.805 25.562 4.663 1.00 21.25 C ATOM 1183 NH1 ARG A 70 24.262 24.319 4.597 1.00 41.04 N ATOM 1184 NH2 ARG A 70 22.637 25.865 4.111 1.00 4.10 N ATOM 0 H ARG A 70 28.456 28.151 8.073 1.00 1.42 H new ATOM 0 HA ARG A 70 26.166 29.898 8.063 1.00 31.52 H new ATOM 0 HB2 ARG A 70 26.288 26.895 8.516 1.00 44.13 H new ATOM 0 HB3 ARG A 70 24.911 27.829 7.964 1.00 44.13 H new ATOM 0 HG2 ARG A 70 26.116 28.378 5.866 1.00 75.54 H new ATOM 0 HG3 ARG A 70 27.506 27.465 6.418 1.00 75.54 H new ATOM 0 HD2 ARG A 70 26.486 25.812 5.187 1.00 30.01 H new ATOM 0 HD3 ARG A 70 25.682 25.526 6.718 1.00 30.01 H new ATOM 0 HE ARG A 70 24.133 27.447 5.317 1.00 73.14 H new ATOM 0 HH11 ARG A 70 25.159 24.082 5.022 1.00 41.04 H new ATOM 0 HH12 ARG A 70 23.717 23.600 4.121 1.00 41.04 H new ATOM 0 HH21 ARG A 70 22.281 26.820 4.161 1.00 4.10 H new ATOM 0 HH22 ARG A 70 22.095 25.143 3.636 1.00 4.10 H new