USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 870 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 108 HIS : no HD1:sc= 0.412 K(o=0.72,f=-3.8) USER MOD Set 1.2: A 112 SER OG : rot -116:sc= 0.31 USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= -3.01! USER MOD Set 2.2: A 91 MET CE :methyl -143:sc= -0.0583 (180deg=-0.396) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= 0.569 (180deg=0.385) USER MOD Single : A 20 SER OG : rot 65:sc= 0.00932 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.0854 X(o=0.085,f=-0.23) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.801 K(o=-0.8,f=-0.05) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -63:sc= 0.54 USER MOD Single : A 52 SER OG : rot 65:sc= 0.463 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0111 K(o=-0.011,f=-2.8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.1!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 173:sc= -0.39 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -61:sc= 1.1 USER MOD Single : A 96 LYS NZ :NH3+ 164:sc= -0.0434 (180deg=-0.325) USER MOD Single : A 97 ASN : amide:sc= -7.43! C(o=-7.4!,f=-16!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.41) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 0:sc= -0.679 USER MOD Single : A 117 LYS NZ :NH3+ 165:sc= -0.008 (180deg=-0.108) USER MOD ----------------------------------------------------------------- ATOM 109 N GLU A 12 8.901 26.494 -0.360 1.00 0.00 N ATOM 110 CA GLU A 12 8.466 25.304 -1.082 1.00 0.00 C ATOM 111 C GLU A 12 7.070 24.877 -0.636 1.00 0.00 C ATOM 112 O GLU A 12 6.580 25.311 0.407 1.00 0.00 O ATOM 113 CB GLU A 12 9.456 24.158 -0.864 1.00 0.00 C ATOM 114 CG GLU A 12 9.463 23.622 0.558 1.00 0.00 C ATOM 115 CD GLU A 12 10.590 22.638 0.805 1.00 0.00 C ATOM 116 OE1 GLU A 12 10.893 21.841 -0.107 1.00 0.00 O ATOM 117 OE2 GLU A 12 11.169 22.666 1.911 1.00 0.00 O ATOM 0 HA GLU A 12 8.431 25.547 -2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.214 23.345 -1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.459 24.502 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.553 24.455 1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.509 23.136 0.764 1.00 0.00 H new ATOM 124 N ARG A 13 6.435 24.025 -1.434 1.00 0.00 N ATOM 125 CA ARG A 13 5.096 23.540 -1.123 1.00 0.00 C ATOM 126 C ARG A 13 5.143 22.473 -0.033 1.00 0.00 C ATOM 127 O ARG A 13 6.218 22.021 0.359 1.00 0.00 O ATOM 128 CB ARG A 13 4.432 22.973 -2.379 1.00 0.00 C ATOM 129 CG ARG A 13 3.734 24.024 -3.226 1.00 0.00 C ATOM 130 CD ARG A 13 4.712 24.738 -4.146 1.00 0.00 C ATOM 131 NE ARG A 13 4.045 25.327 -5.303 1.00 0.00 N ATOM 132 CZ ARG A 13 3.623 24.622 -6.347 1.00 0.00 C ATOM 133 NH1 ARG A 13 3.798 23.308 -6.378 1.00 0.00 N ATOM 134 NH2 ARG A 13 3.024 25.231 -7.362 1.00 0.00 N ATOM 0 H ARG A 13 6.826 23.656 -2.301 1.00 0.00 H new ATOM 0 HA ARG A 13 4.508 24.382 -0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.188 22.473 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.706 22.215 -2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.951 23.553 -3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.247 24.751 -2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.229 25.519 -3.589 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.471 24.033 -4.485 1.00 0.00 H new ATOM 0 HE ARG A 13 3.895 26.336 -5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.258 22.836 -5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.473 22.769 -7.181 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.887 26.242 -7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.700 24.689 -8.163 1.00 0.00 H new ATOM 148 N GLN A 14 3.970 22.077 0.451 1.00 0.00 N ATOM 149 CA GLN A 14 3.879 21.064 1.496 1.00 0.00 C ATOM 150 C GLN A 14 3.128 19.834 0.997 1.00 0.00 C ATOM 151 O GLN A 14 1.914 19.876 0.790 1.00 0.00 O ATOM 152 CB GLN A 14 3.181 21.637 2.731 1.00 0.00 C ATOM 153 CG GLN A 14 3.695 23.008 3.139 1.00 0.00 C ATOM 154 CD GLN A 14 3.256 23.404 4.534 1.00 0.00 C ATOM 155 OE1 GLN A 14 2.063 23.535 4.809 1.00 0.00 O ATOM 156 NE2 GLN A 14 4.221 23.597 5.426 1.00 0.00 N ATOM 0 H GLN A 14 3.071 22.442 0.137 1.00 0.00 H new ATOM 0 HA GLN A 14 4.891 20.764 1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.111 21.703 2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.311 20.947 3.564 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.784 23.013 3.090 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.340 23.752 2.426 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.197 23.478 5.155 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.986 23.865 6.382 1.00 0.00 H new ATOM 165 N LEU A 15 3.856 18.739 0.806 1.00 0.00 N ATOM 166 CA LEU A 15 3.258 17.496 0.331 1.00 0.00 C ATOM 167 C LEU A 15 2.207 16.987 1.313 1.00 0.00 C ATOM 168 O LEU A 15 2.484 16.816 2.500 1.00 0.00 O ATOM 169 CB LEU A 15 4.339 16.433 0.127 1.00 0.00 C ATOM 170 CG LEU A 15 3.900 14.982 0.330 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.841 14.598 -0.691 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.096 14.046 0.238 1.00 0.00 C ATOM 0 H LEU A 15 4.861 18.687 0.973 1.00 0.00 H new ATOM 0 HA LEU A 15 2.770 17.697 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.734 16.534 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.160 16.642 0.812 1.00 0.00 H new ATOM 0 HG LEU A 15 3.466 14.889 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.540 13.562 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.974 15.249 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.248 14.707 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.765 13.018 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.558 14.142 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.822 14.307 1.008 1.00 0.00 H new ATOM 184 N SER A 16 1.002 16.746 0.808 1.00 0.00 N ATOM 185 CA SER A 16 -0.092 16.258 1.640 1.00 0.00 C ATOM 186 C SER A 16 -0.493 14.842 1.236 1.00 0.00 C ATOM 187 O SER A 16 -0.867 14.578 0.093 1.00 0.00 O ATOM 188 CB SER A 16 -1.298 17.192 1.534 1.00 0.00 C ATOM 189 OG SER A 16 -2.249 16.915 2.547 1.00 0.00 O ATOM 0 H SER A 16 0.758 16.881 -0.173 1.00 0.00 H new ATOM 0 HA SER A 16 0.253 16.238 2.674 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.968 18.228 1.614 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.763 17.081 0.554 1.00 0.00 H new ATOM 0 HG SER A 16 -3.009 17.527 2.458 1.00 0.00 H new ATOM 195 N PRO A 17 -0.413 13.908 2.195 1.00 0.00 N ATOM 196 CA PRO A 17 -0.763 12.504 1.964 1.00 0.00 C ATOM 197 C PRO A 17 -2.261 12.306 1.760 1.00 0.00 C ATOM 198 O PRO A 17 -2.687 11.663 0.801 1.00 0.00 O ATOM 199 CB PRO A 17 -0.302 11.807 3.247 1.00 0.00 C ATOM 200 CG PRO A 17 -0.329 12.873 4.287 1.00 0.00 C ATOM 201 CD PRO A 17 0.026 14.152 3.580 1.00 0.00 C ATOM 0 HA PRO A 17 -0.298 12.112 1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.964 10.981 3.509 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.699 11.390 3.133 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.314 12.943 4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.382 12.658 5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.485 15.009 4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.095 14.357 3.633 1.00 0.00 H new ATOM 209 N GLU A 18 -3.056 12.865 2.668 1.00 0.00 N ATOM 210 CA GLU A 18 -4.508 12.749 2.586 1.00 0.00 C ATOM 211 C GLU A 18 -5.007 13.133 1.196 1.00 0.00 C ATOM 212 O GLU A 18 -5.855 12.453 0.618 1.00 0.00 O ATOM 213 CB GLU A 18 -5.173 13.634 3.642 1.00 0.00 C ATOM 214 CG GLU A 18 -4.563 15.022 3.743 1.00 0.00 C ATOM 215 CD GLU A 18 -5.287 15.906 4.740 1.00 0.00 C ATOM 216 OE1 GLU A 18 -5.169 15.650 5.957 1.00 0.00 O ATOM 217 OE2 GLU A 18 -5.972 16.854 4.303 1.00 0.00 O ATOM 0 H GLU A 18 -2.720 13.402 3.467 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.775 11.709 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.234 13.728 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.102 13.143 4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.516 14.934 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.583 15.496 2.762 1.00 0.00 H new ATOM 224 N LYS A 19 -4.475 14.228 0.665 1.00 0.00 N ATOM 225 CA LYS A 19 -4.864 14.705 -0.657 1.00 0.00 C ATOM 226 C LYS A 19 -4.523 13.674 -1.729 1.00 0.00 C ATOM 227 O LYS A 19 -5.338 13.383 -2.605 1.00 0.00 O ATOM 228 CB LYS A 19 -4.167 16.031 -0.969 1.00 0.00 C ATOM 229 CG LYS A 19 -4.892 17.245 -0.416 1.00 0.00 C ATOM 230 CD LYS A 19 -6.256 17.423 -1.063 1.00 0.00 C ATOM 231 CE LYS A 19 -6.195 17.188 -2.564 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.334 17.835 -3.273 1.00 0.00 N ATOM 0 H LYS A 19 -3.772 14.803 1.130 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.943 14.860 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.156 16.005 -0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.072 16.136 -2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.011 17.139 0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.289 18.138 -0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.967 16.729 -0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.625 18.430 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.255 17.578 -2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.204 16.117 -2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.437 17.416 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.209 17.687 -2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.152 18.855 -3.365 1.00 0.00 H new ATOM 246 N SER A 20 -3.316 13.125 -1.652 1.00 0.00 N ATOM 247 CA SER A 20 -2.867 12.128 -2.618 1.00 0.00 C ATOM 248 C SER A 20 -4.007 11.189 -2.999 1.00 0.00 C ATOM 249 O SER A 20 -4.930 10.967 -2.215 1.00 0.00 O ATOM 250 CB SER A 20 -1.698 11.324 -2.046 1.00 0.00 C ATOM 251 OG SER A 20 -0.603 12.167 -1.734 1.00 0.00 O ATOM 0 H SER A 20 -2.631 13.353 -0.931 1.00 0.00 H new ATOM 0 HA SER A 20 -2.535 12.650 -3.515 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.021 10.795 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.385 10.568 -2.767 1.00 0.00 H new ATOM 0 HG SER A 20 -0.858 12.782 -1.015 1.00 0.00 H new ATOM 257 N GLU A 21 -3.935 10.641 -4.208 1.00 0.00 N ATOM 258 CA GLU A 21 -4.962 9.727 -4.694 1.00 0.00 C ATOM 259 C GLU A 21 -4.363 8.363 -5.025 1.00 0.00 C ATOM 260 O GLU A 21 -3.363 8.269 -5.737 1.00 0.00 O ATOM 261 CB GLU A 21 -5.650 10.308 -5.931 1.00 0.00 C ATOM 262 CG GLU A 21 -5.694 11.827 -5.946 1.00 0.00 C ATOM 263 CD GLU A 21 -6.710 12.371 -6.932 1.00 0.00 C ATOM 264 OE1 GLU A 21 -6.354 12.539 -8.117 1.00 0.00 O ATOM 265 OE2 GLU A 21 -7.859 12.629 -6.519 1.00 0.00 O ATOM 0 H GLU A 21 -3.177 10.814 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.701 9.598 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.130 9.959 -6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.668 9.923 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.933 12.190 -4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.706 12.213 -6.198 1.00 0.00 H new ATOM 272 N ILE A 22 -4.982 7.309 -4.503 1.00 0.00 N ATOM 273 CA ILE A 22 -4.511 5.951 -4.743 1.00 0.00 C ATOM 274 C ILE A 22 -5.529 5.150 -5.547 1.00 0.00 C ATOM 275 O ILE A 22 -6.561 4.734 -5.022 1.00 0.00 O ATOM 276 CB ILE A 22 -4.222 5.213 -3.422 1.00 0.00 C ATOM 277 CG1 ILE A 22 -3.066 5.886 -2.679 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.907 3.750 -3.691 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.574 5.096 -1.487 1.00 0.00 C ATOM 0 H ILE A 22 -5.811 7.370 -3.911 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.586 6.035 -5.313 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.111 5.263 -2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.238 6.037 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.385 6.873 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.705 3.242 -2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.758 3.279 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.031 3.679 -4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.755 5.632 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.389 4.967 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.224 4.118 -1.818 1.00 0.00 H new ATOM 291 N TRP A 23 -5.230 4.937 -6.824 1.00 0.00 N ATOM 292 CA TRP A 23 -6.119 4.184 -7.701 1.00 0.00 C ATOM 293 C TRP A 23 -5.622 2.754 -7.883 1.00 0.00 C ATOM 294 O TRP A 23 -4.467 2.447 -7.590 1.00 0.00 O ATOM 295 CB TRP A 23 -6.232 4.874 -9.061 1.00 0.00 C ATOM 296 CG TRP A 23 -4.948 4.879 -9.833 1.00 0.00 C ATOM 297 CD1 TRP A 23 -4.455 3.870 -10.611 1.00 0.00 C ATOM 298 CD2 TRP A 23 -3.992 5.943 -9.900 1.00 0.00 C ATOM 299 NE1 TRP A 23 -3.250 4.243 -11.157 1.00 0.00 N ATOM 300 CE2 TRP A 23 -2.945 5.511 -10.737 1.00 0.00 C ATOM 301 CE3 TRP A 23 -3.920 7.220 -9.336 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -1.840 6.310 -11.021 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -2.823 8.011 -9.618 1.00 0.00 C ATOM 304 CH2 TRP A 23 -1.796 7.555 -10.455 1.00 0.00 C ATOM 0 H TRP A 23 -4.380 5.275 -7.274 1.00 0.00 H new ATOM 0 HA TRP A 23 -7.104 4.150 -7.235 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.000 4.374 -9.651 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.562 5.902 -8.912 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.941 2.919 -10.773 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.676 3.669 -11.775 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.708 7.582 -8.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.047 5.960 -11.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.756 8.998 -9.186 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.953 8.199 -10.657 1.00 0.00 H new ATOM 315 N GLY A 24 -6.501 1.883 -8.368 1.00 0.00 N ATOM 316 CA GLY A 24 -6.132 0.496 -8.580 1.00 0.00 C ATOM 317 C GLY A 24 -7.297 -0.452 -8.375 1.00 0.00 C ATOM 318 O GLY A 24 -8.249 -0.153 -7.655 1.00 0.00 O ATOM 0 H GLY A 24 -7.463 2.113 -8.618 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.745 0.377 -9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.326 0.229 -7.897 1.00 0.00 H new ATOM 322 N PRO A 25 -7.230 -1.626 -9.021 1.00 0.00 N ATOM 323 CA PRO A 25 -8.280 -2.645 -8.923 1.00 0.00 C ATOM 324 C PRO A 25 -8.329 -3.295 -7.544 1.00 0.00 C ATOM 325 O PRO A 25 -9.126 -4.201 -7.303 1.00 0.00 O ATOM 326 CB PRO A 25 -7.878 -3.672 -9.984 1.00 0.00 C ATOM 327 CG PRO A 25 -6.405 -3.508 -10.131 1.00 0.00 C ATOM 328 CD PRO A 25 -6.124 -2.049 -9.897 1.00 0.00 C ATOM 0 HA PRO A 25 -9.273 -2.223 -9.074 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.134 -4.684 -9.672 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.393 -3.489 -10.927 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.870 -4.128 -9.412 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.076 -3.814 -11.124 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.155 -1.897 -9.422 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.113 -1.487 -10.831 1.00 0.00 H new ATOM 336 N GLY A 26 -7.473 -2.825 -6.642 1.00 0.00 N ATOM 337 CA GLY A 26 -7.436 -3.372 -5.299 1.00 0.00 C ATOM 338 C GLY A 26 -8.731 -3.145 -4.544 1.00 0.00 C ATOM 339 O GLY A 26 -9.240 -4.050 -3.882 1.00 0.00 O ATOM 0 H GLY A 26 -6.804 -2.075 -6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.232 -4.442 -5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.613 -2.917 -4.747 1.00 0.00 H new ATOM 343 N LEU A 27 -9.265 -1.932 -4.642 1.00 0.00 N ATOM 344 CA LEU A 27 -10.508 -1.587 -3.961 1.00 0.00 C ATOM 345 C LEU A 27 -11.717 -2.070 -4.757 1.00 0.00 C ATOM 346 O LEU A 27 -12.711 -1.357 -4.891 1.00 0.00 O ATOM 347 CB LEU A 27 -10.594 -0.075 -3.750 1.00 0.00 C ATOM 348 CG LEU A 27 -9.294 0.621 -3.343 1.00 0.00 C ATOM 349 CD1 LEU A 27 -9.387 2.117 -3.599 1.00 0.00 C ATOM 350 CD2 LEU A 27 -8.977 0.346 -1.881 1.00 0.00 C ATOM 0 H LEU A 27 -8.857 -1.172 -5.186 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.512 -2.084 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.953 0.381 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.344 0.123 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.483 0.219 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.453 2.595 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.566 2.294 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.209 2.535 -3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.049 0.849 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.789 0.719 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.866 -0.728 -1.728 1.00 0.00 H new ATOM 362 N LYS A 28 -11.625 -3.287 -5.283 1.00 0.00 N ATOM 363 CA LYS A 28 -12.711 -3.868 -6.063 1.00 0.00 C ATOM 364 C LYS A 28 -13.187 -5.177 -5.442 1.00 0.00 C ATOM 365 O LYS A 28 -12.533 -5.729 -4.558 1.00 0.00 O ATOM 366 CB LYS A 28 -12.258 -4.110 -7.505 1.00 0.00 C ATOM 367 CG LYS A 28 -11.961 -2.833 -8.271 1.00 0.00 C ATOM 368 CD LYS A 28 -13.204 -2.293 -8.959 1.00 0.00 C ATOM 369 CE LYS A 28 -13.108 -0.792 -9.186 1.00 0.00 C ATOM 370 NZ LYS A 28 -12.433 -0.468 -10.474 1.00 0.00 N ATOM 0 H LYS A 28 -10.809 -3.890 -5.183 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.542 -3.163 -6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.365 -4.735 -7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.032 -4.668 -8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.567 -2.081 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.187 -3.025 -9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.341 -2.799 -9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.082 -2.515 -8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.108 -0.359 -9.181 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.559 -0.335 -8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.387 0.564 -10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.469 -0.859 -10.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.971 -0.883 -11.262 1.00 0.00 H new ATOM 384 N ALA A 29 -14.328 -5.669 -5.912 1.00 0.00 N ATOM 385 CA ALA A 29 -14.889 -6.916 -5.405 1.00 0.00 C ATOM 386 C ALA A 29 -14.008 -8.104 -5.775 1.00 0.00 C ATOM 387 O ALA A 29 -13.605 -8.883 -4.911 1.00 0.00 O ATOM 388 CB ALA A 29 -16.300 -7.115 -5.939 1.00 0.00 C ATOM 0 H ALA A 29 -14.882 -5.224 -6.643 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.930 -6.853 -4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.707 -8.050 -5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -16.930 -6.285 -5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.275 -7.153 -7.028 1.00 0.00 H new ATOM 394 N ASP A 30 -13.715 -8.239 -7.064 1.00 0.00 N ATOM 395 CA ASP A 30 -12.882 -9.333 -7.548 1.00 0.00 C ATOM 396 C ASP A 30 -11.468 -8.847 -7.851 1.00 0.00 C ATOM 397 O ASP A 30 -11.185 -8.374 -8.951 1.00 0.00 O ATOM 398 CB ASP A 30 -13.499 -9.957 -8.801 1.00 0.00 C ATOM 399 CG ASP A 30 -14.799 -10.679 -8.507 1.00 0.00 C ATOM 400 OD1 ASP A 30 -15.829 -9.997 -8.324 1.00 0.00 O ATOM 401 OD2 ASP A 30 -14.787 -11.927 -8.462 1.00 0.00 O ATOM 0 H ASP A 30 -14.042 -7.604 -7.792 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.827 -10.089 -6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.679 -9.177 -9.541 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.789 -10.657 -9.242 1.00 0.00 H new ATOM 406 N VAL A 31 -10.583 -8.965 -6.865 1.00 0.00 N ATOM 407 CA VAL A 31 -9.199 -8.538 -7.026 1.00 0.00 C ATOM 408 C VAL A 31 -8.374 -9.602 -7.741 1.00 0.00 C ATOM 409 O VAL A 31 -8.891 -10.654 -8.118 1.00 0.00 O ATOM 410 CB VAL A 31 -8.546 -8.227 -5.666 1.00 0.00 C ATOM 411 CG1 VAL A 31 -9.332 -7.153 -4.930 1.00 0.00 C ATOM 412 CG2 VAL A 31 -8.438 -9.490 -4.826 1.00 0.00 C ATOM 0 H VAL A 31 -10.801 -9.353 -5.947 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.217 -7.630 -7.629 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.539 -7.849 -5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.856 -6.946 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.352 -6.242 -5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.352 -7.499 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.974 -9.252 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.434 -9.900 -4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.828 -10.225 -5.351 1.00 0.00 H new ATOM 422 N VAL A 32 -7.088 -9.323 -7.924 1.00 0.00 N ATOM 423 CA VAL A 32 -6.190 -10.257 -8.593 1.00 0.00 C ATOM 424 C VAL A 32 -6.053 -11.551 -7.799 1.00 0.00 C ATOM 425 O VAL A 32 -6.102 -11.546 -6.569 1.00 0.00 O ATOM 426 CB VAL A 32 -4.792 -9.643 -8.798 1.00 0.00 C ATOM 427 CG1 VAL A 32 -4.869 -8.434 -9.717 1.00 0.00 C ATOM 428 CG2 VAL A 32 -4.175 -9.267 -7.459 1.00 0.00 C ATOM 0 H VAL A 32 -6.644 -8.457 -7.618 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.629 -10.476 -9.567 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.152 -10.388 -9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.872 -8.014 -9.850 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.267 -8.738 -10.685 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.523 -7.682 -9.275 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.188 -8.835 -7.622 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.812 -8.539 -6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.083 -10.158 -6.838 1.00 0.00 H new ATOM 438 N LEU A 33 -5.881 -12.660 -8.511 1.00 0.00 N ATOM 439 CA LEU A 33 -5.736 -13.964 -7.873 1.00 0.00 C ATOM 440 C LEU A 33 -4.364 -14.101 -7.221 1.00 0.00 C ATOM 441 O LEU A 33 -4.242 -14.286 -6.010 1.00 0.00 O ATOM 442 CB LEU A 33 -5.940 -15.080 -8.899 1.00 0.00 C ATOM 443 CG LEU A 33 -7.353 -15.658 -8.990 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.400 -16.796 -9.998 1.00 0.00 C ATOM 445 CD2 LEU A 33 -7.824 -16.133 -7.624 1.00 0.00 C ATOM 0 H LEU A 33 -5.839 -12.682 -9.530 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.497 -14.049 -7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.661 -14.699 -9.881 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.251 -15.892 -8.665 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.026 -14.871 -9.330 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.413 -17.195 -10.049 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.106 -16.425 -10.980 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.715 -17.585 -9.688 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.831 -16.541 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.149 -16.905 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.830 -15.293 -6.929 1.00 0.00 H new ATOM 457 N PRO A 34 -3.307 -14.007 -8.040 1.00 0.00 N ATOM 458 CA PRO A 34 -1.925 -14.115 -7.564 1.00 0.00 C ATOM 459 C PRO A 34 -1.505 -12.914 -6.724 1.00 0.00 C ATOM 460 O PRO A 34 -1.689 -12.900 -5.508 1.00 0.00 O ATOM 461 CB PRO A 34 -1.108 -14.175 -8.857 1.00 0.00 C ATOM 462 CG PRO A 34 -1.954 -13.488 -9.872 1.00 0.00 C ATOM 463 CD PRO A 34 -3.379 -13.787 -9.494 1.00 0.00 C ATOM 0 HA PRO A 34 -1.785 -14.979 -6.914 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.146 -13.676 -8.741 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.900 -15.205 -9.147 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.768 -12.414 -9.873 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.732 -13.851 -10.875 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.043 -12.959 -9.743 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.757 -14.666 -10.015 1.00 0.00 H new ATOM 471 N ALA A 35 -0.940 -11.906 -7.382 1.00 0.00 N ATOM 472 CA ALA A 35 -0.496 -10.699 -6.696 1.00 0.00 C ATOM 473 C ALA A 35 -1.150 -9.457 -7.292 1.00 0.00 C ATOM 474 O ALA A 35 -1.754 -9.516 -8.363 1.00 0.00 O ATOM 475 CB ALA A 35 1.019 -10.583 -6.759 1.00 0.00 C ATOM 0 H ALA A 35 -0.779 -11.902 -8.389 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.800 -10.771 -5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.336 -9.677 -6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.471 -11.451 -6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.337 -10.538 -7.800 1.00 0.00 H new ATOM 481 N ARG A 36 -1.025 -8.335 -6.591 1.00 0.00 N ATOM 482 CA ARG A 36 -1.606 -7.079 -7.051 1.00 0.00 C ATOM 483 C ARG A 36 -0.551 -5.977 -7.098 1.00 0.00 C ATOM 484 O ARG A 36 0.419 -6.000 -6.341 1.00 0.00 O ATOM 485 CB ARG A 36 -2.757 -6.659 -6.135 1.00 0.00 C ATOM 486 CG ARG A 36 -3.796 -5.789 -6.823 1.00 0.00 C ATOM 487 CD ARG A 36 -4.679 -5.072 -5.813 1.00 0.00 C ATOM 488 NE ARG A 36 -3.940 -4.060 -5.062 1.00 0.00 N ATOM 489 CZ ARG A 36 -4.297 -3.635 -3.855 1.00 0.00 C ATOM 490 NH1 ARG A 36 -5.375 -4.132 -3.265 1.00 0.00 N ATOM 491 NH2 ARG A 36 -3.574 -2.711 -3.235 1.00 0.00 N ATOM 0 H ARG A 36 -0.527 -8.270 -5.703 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.991 -7.233 -8.059 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.244 -7.553 -5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.351 -6.118 -5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.297 -5.056 -7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.414 -6.406 -7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.514 -4.601 -6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.103 -5.800 -5.121 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.105 -3.658 -5.487 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.933 -4.843 -3.738 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.646 -3.804 -2.338 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.743 -2.326 -3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.849 -2.385 -2.308 1.00 0.00 H new ATOM 505 N TYR A 37 -0.749 -5.015 -7.992 1.00 0.00 N ATOM 506 CA TYR A 37 0.187 -3.906 -8.140 1.00 0.00 C ATOM 507 C TYR A 37 -0.540 -2.632 -8.561 1.00 0.00 C ATOM 508 O TYR A 37 -1.297 -2.628 -9.532 1.00 0.00 O ATOM 509 CB TYR A 37 1.265 -4.254 -9.167 1.00 0.00 C ATOM 510 CG TYR A 37 0.905 -3.859 -10.581 1.00 0.00 C ATOM 511 CD1 TYR A 37 0.011 -4.615 -11.329 1.00 0.00 C ATOM 512 CD2 TYR A 37 1.458 -2.727 -11.169 1.00 0.00 C ATOM 513 CE1 TYR A 37 -0.320 -4.258 -12.622 1.00 0.00 C ATOM 514 CE2 TYR A 37 1.131 -2.361 -12.460 1.00 0.00 C ATOM 515 CZ TYR A 37 0.242 -3.130 -13.183 1.00 0.00 C ATOM 516 OH TYR A 37 -0.086 -2.770 -14.470 1.00 0.00 O ATOM 0 H TYR A 37 -1.548 -4.980 -8.625 1.00 0.00 H new ATOM 0 HA TYR A 37 0.659 -3.731 -7.173 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.195 -3.760 -8.886 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.452 -5.327 -9.135 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.433 -5.497 -10.892 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.155 -2.124 -10.607 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.015 -4.859 -13.190 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.569 -1.478 -12.901 1.00 0.00 H new ATOM 0 HH TYR A 37 0.395 -1.952 -14.713 1.00 0.00 H new ATOM 526 N PHE A 38 -0.304 -1.553 -7.823 1.00 0.00 N ATOM 527 CA PHE A 38 -0.935 -0.272 -8.119 1.00 0.00 C ATOM 528 C PHE A 38 0.096 0.853 -8.134 1.00 0.00 C ATOM 529 O PHE A 38 1.295 0.612 -7.990 1.00 0.00 O ATOM 530 CB PHE A 38 -2.024 0.034 -7.088 1.00 0.00 C ATOM 531 CG PHE A 38 -1.548 -0.061 -5.667 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.121 -1.272 -5.145 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.526 1.060 -4.853 1.00 0.00 C ATOM 534 CE1 PHE A 38 -0.682 -1.363 -3.837 1.00 0.00 C ATOM 535 CE2 PHE A 38 -1.088 0.975 -3.545 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.666 -0.238 -3.036 1.00 0.00 C ATOM 0 H PHE A 38 0.319 -1.540 -7.016 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.388 -0.339 -9.108 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.411 1.037 -7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.854 -0.658 -7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.131 -2.155 -5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.855 2.011 -5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.352 -2.313 -3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.076 1.856 -2.921 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.324 -0.306 -2.014 1.00 0.00 H new ATOM 546 N TYR A 39 -0.379 2.080 -8.312 1.00 0.00 N ATOM 547 CA TYR A 39 0.501 3.242 -8.350 1.00 0.00 C ATOM 548 C TYR A 39 0.141 4.235 -7.248 1.00 0.00 C ATOM 549 O TYR A 39 -1.033 4.423 -6.927 1.00 0.00 O ATOM 550 CB TYR A 39 0.419 3.926 -9.715 1.00 0.00 C ATOM 551 CG TYR A 39 0.869 3.048 -10.861 1.00 0.00 C ATOM 552 CD1 TYR A 39 2.200 3.022 -11.260 1.00 0.00 C ATOM 553 CD2 TYR A 39 -0.036 2.244 -11.543 1.00 0.00 C ATOM 554 CE1 TYR A 39 2.615 2.222 -12.307 1.00 0.00 C ATOM 555 CE2 TYR A 39 0.371 1.440 -12.589 1.00 0.00 C ATOM 556 CZ TYR A 39 1.698 1.433 -12.968 1.00 0.00 C ATOM 557 OH TYR A 39 2.108 0.633 -14.010 1.00 0.00 O ATOM 0 H TYR A 39 -1.369 2.296 -8.432 1.00 0.00 H new ATOM 0 HA TYR A 39 1.522 2.898 -8.185 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.609 4.242 -9.892 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.031 4.828 -9.697 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.922 3.637 -10.743 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.075 2.248 -11.250 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.653 2.215 -12.606 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.345 0.820 -13.108 1.00 0.00 H new ATOM 0 HH TYR A 39 1.339 0.140 -14.366 1.00 0.00 H new ATOM 567 N ILE A 40 1.159 4.867 -6.675 1.00 0.00 N ATOM 568 CA ILE A 40 0.951 5.841 -5.611 1.00 0.00 C ATOM 569 C ILE A 40 1.400 7.233 -6.044 1.00 0.00 C ATOM 570 O ILE A 40 2.595 7.497 -6.173 1.00 0.00 O ATOM 571 CB ILE A 40 1.707 5.446 -4.329 1.00 0.00 C ATOM 572 CG1 ILE A 40 1.185 4.111 -3.794 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.571 6.535 -3.276 1.00 0.00 C ATOM 574 CD1 ILE A 40 1.980 3.577 -2.622 1.00 0.00 C ATOM 0 H ILE A 40 2.136 4.722 -6.930 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.119 5.855 -5.402 1.00 0.00 H new ATOM 0 HB ILE A 40 2.764 5.331 -4.569 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.145 4.232 -3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.200 3.376 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.111 6.240 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.987 7.466 -3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.518 6.680 -3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.554 2.629 -2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.016 3.424 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.944 4.293 -1.801 1.00 0.00 H new ATOM 586 N GLN A 41 0.434 8.118 -6.265 1.00 0.00 N ATOM 587 CA GLN A 41 0.731 9.484 -6.682 1.00 0.00 C ATOM 588 C GLN A 41 0.631 10.447 -5.504 1.00 0.00 C ATOM 589 O GLN A 41 -0.290 10.356 -4.693 1.00 0.00 O ATOM 590 CB GLN A 41 -0.224 9.918 -7.795 1.00 0.00 C ATOM 591 CG GLN A 41 -0.122 11.395 -8.142 1.00 0.00 C ATOM 592 CD GLN A 41 1.050 11.700 -9.054 1.00 0.00 C ATOM 593 OE1 GLN A 41 1.236 11.051 -10.084 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.849 12.692 -8.680 1.00 0.00 N ATOM 0 H GLN A 41 -0.560 7.915 -6.163 1.00 0.00 H new ATOM 0 HA GLN A 41 1.753 9.508 -7.060 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.019 9.328 -8.689 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.247 9.694 -7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.046 11.716 -8.624 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.024 11.974 -7.224 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.658 13.204 -7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.654 12.943 -9.254 1.00 0.00 H new ATOM 603 N ALA A 42 1.584 11.369 -5.418 1.00 0.00 N ATOM 604 CA ALA A 42 1.602 12.350 -4.340 1.00 0.00 C ATOM 605 C ALA A 42 0.846 13.614 -4.736 1.00 0.00 C ATOM 606 O ALA A 42 0.734 13.938 -5.919 1.00 0.00 O ATOM 607 CB ALA A 42 3.035 12.688 -3.957 1.00 0.00 C ATOM 0 H ALA A 42 2.353 11.457 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 42 1.101 11.913 -3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.033 13.422 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.545 11.784 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.555 13.100 -4.822 1.00 0.00 H new ATOM 613 N VAL A 43 0.329 14.326 -3.739 1.00 0.00 N ATOM 614 CA VAL A 43 -0.416 15.555 -3.984 1.00 0.00 C ATOM 615 C VAL A 43 -0.192 16.566 -2.864 1.00 0.00 C ATOM 616 O VAL A 43 0.057 16.192 -1.718 1.00 0.00 O ATOM 617 CB VAL A 43 -1.925 15.280 -4.118 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.701 16.586 -4.204 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.201 14.405 -5.331 1.00 0.00 C ATOM 0 H VAL A 43 0.413 14.073 -2.755 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.045 15.968 -4.922 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.259 14.745 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.765 16.371 -4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.528 17.172 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.367 17.151 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.272 14.221 -5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.852 14.911 -6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.677 13.456 -5.222 1.00 0.00 H new ATOM 629 N ASP A 44 -0.282 17.847 -3.204 1.00 0.00 N ATOM 630 CA ASP A 44 -0.091 18.912 -2.227 1.00 0.00 C ATOM 631 C ASP A 44 -1.310 19.043 -1.320 1.00 0.00 C ATOM 632 O ASP A 44 -2.254 18.257 -1.413 1.00 0.00 O ATOM 633 CB ASP A 44 0.178 20.241 -2.936 1.00 0.00 C ATOM 634 CG ASP A 44 0.971 21.205 -2.077 1.00 0.00 C ATOM 635 OD1 ASP A 44 2.073 20.829 -1.626 1.00 0.00 O ATOM 636 OD2 ASP A 44 0.490 22.336 -1.854 1.00 0.00 O ATOM 0 H ASP A 44 -0.486 18.173 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 44 0.771 18.656 -1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.722 20.052 -3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.771 20.701 -3.212 1.00 0.00 H new ATOM 641 N THR A 45 -1.284 20.040 -0.441 1.00 0.00 N ATOM 642 CA THR A 45 -2.385 20.272 0.485 1.00 0.00 C ATOM 643 C THR A 45 -3.614 20.802 -0.245 1.00 0.00 C ATOM 644 O THR A 45 -4.738 20.679 0.243 1.00 0.00 O ATOM 645 CB THR A 45 -1.989 21.269 1.590 1.00 0.00 C ATOM 646 OG1 THR A 45 -2.021 22.606 1.079 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.599 20.959 2.126 1.00 0.00 C ATOM 0 H THR A 45 -0.512 20.700 -0.351 1.00 0.00 H new ATOM 0 HA THR A 45 -2.622 19.311 0.941 1.00 0.00 H new ATOM 0 HB THR A 45 -2.705 21.175 2.406 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.770 23.233 1.789 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.341 21.676 2.905 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.586 19.951 2.541 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.127 21.027 1.316 1.00 0.00 H new ATOM 655 N SER A 46 -3.394 21.391 -1.416 1.00 0.00 N ATOM 656 CA SER A 46 -4.484 21.942 -2.211 1.00 0.00 C ATOM 657 C SER A 46 -5.014 20.906 -3.198 1.00 0.00 C ATOM 658 O SER A 46 -6.205 20.598 -3.212 1.00 0.00 O ATOM 659 CB SER A 46 -4.014 23.188 -2.965 1.00 0.00 C ATOM 660 OG SER A 46 -3.642 24.218 -2.066 1.00 0.00 O ATOM 0 H SER A 46 -2.470 21.499 -1.835 1.00 0.00 H new ATOM 0 HA SER A 46 -5.291 22.219 -1.533 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.167 22.933 -3.602 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.810 23.542 -3.620 1.00 0.00 H new ATOM 0 HG SER A 46 -3.344 25.002 -2.572 1.00 0.00 H new ATOM 666 N GLY A 47 -4.119 20.372 -4.024 1.00 0.00 N ATOM 667 CA GLY A 47 -4.515 19.377 -5.003 1.00 0.00 C ATOM 668 C GLY A 47 -3.678 19.441 -6.265 1.00 0.00 C ATOM 669 O GLY A 47 -4.185 19.232 -7.366 1.00 0.00 O ATOM 0 H GLY A 47 -3.127 20.611 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.428 18.384 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.565 19.521 -5.259 1.00 0.00 H new ATOM 673 N ASN A 48 -2.390 19.732 -6.106 1.00 0.00 N ATOM 674 CA ASN A 48 -1.481 19.825 -7.242 1.00 0.00 C ATOM 675 C ASN A 48 -0.468 18.684 -7.223 1.00 0.00 C ATOM 676 O ASN A 48 0.391 18.616 -6.344 1.00 0.00 O ATOM 677 CB ASN A 48 -0.752 21.169 -7.229 1.00 0.00 C ATOM 678 CG ASN A 48 -1.647 22.309 -6.782 1.00 0.00 C ATOM 679 OD1 ASN A 48 -2.395 22.875 -7.580 1.00 0.00 O ATOM 680 ND2 ASN A 48 -1.575 22.650 -5.501 1.00 0.00 N ATOM 0 H ASN A 48 -1.953 19.907 -5.201 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.071 19.748 -8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.110 21.105 -6.564 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.369 21.381 -8.227 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.154 23.409 -5.142 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.941 22.153 -4.876 1.00 0.00 H new ATOM 687 N LYS A 49 -0.575 17.789 -8.199 1.00 0.00 N ATOM 688 CA LYS A 49 0.331 16.651 -8.298 1.00 0.00 C ATOM 689 C LYS A 49 1.786 17.109 -8.258 1.00 0.00 C ATOM 690 O LYS A 49 2.174 18.039 -8.965 1.00 0.00 O ATOM 691 CB LYS A 49 0.066 15.871 -9.588 1.00 0.00 C ATOM 692 CG LYS A 49 -1.332 15.284 -9.667 1.00 0.00 C ATOM 693 CD LYS A 49 -2.310 16.256 -10.306 1.00 0.00 C ATOM 694 CE LYS A 49 -3.424 15.525 -11.039 1.00 0.00 C ATOM 695 NZ LYS A 49 -4.521 16.448 -11.443 1.00 0.00 N ATOM 0 H LYS A 49 -1.281 17.830 -8.934 1.00 0.00 H new ATOM 0 HA LYS A 49 0.150 15.999 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.222 16.532 -10.441 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.795 15.065 -9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.307 14.359 -10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.676 15.026 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.739 16.899 -9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.778 16.903 -11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.017 15.036 -11.924 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.827 14.741 -10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.261 15.912 -11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.927 16.896 -10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.142 17.182 -12.075 1.00 0.00 H new ATOM 709 N PHE A 50 2.586 16.450 -7.427 1.00 0.00 N ATOM 710 CA PHE A 50 3.998 16.790 -7.295 1.00 0.00 C ATOM 711 C PHE A 50 4.763 16.440 -8.569 1.00 0.00 C ATOM 712 O PHE A 50 5.541 17.245 -9.081 1.00 0.00 O ATOM 713 CB PHE A 50 4.612 16.056 -6.101 1.00 0.00 C ATOM 714 CG PHE A 50 4.530 16.828 -4.816 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.328 17.377 -4.398 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.654 17.007 -4.026 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.249 18.088 -3.215 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.581 17.717 -2.842 1.00 0.00 C ATOM 719 CZ PHE A 50 4.377 18.259 -2.437 1.00 0.00 C ATOM 0 H PHE A 50 2.281 15.678 -6.835 1.00 0.00 H new ATOM 0 HA PHE A 50 4.073 17.865 -7.130 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.106 15.099 -5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.658 15.837 -6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.443 17.248 -5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.598 16.587 -4.339 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.306 18.509 -2.900 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.464 17.848 -2.235 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.318 18.816 -1.513 1.00 0.00 H new ATOM 729 N THR A 51 4.535 15.233 -9.076 1.00 0.00 N ATOM 730 CA THR A 51 5.202 14.775 -10.288 1.00 0.00 C ATOM 731 C THR A 51 6.716 14.900 -10.163 1.00 0.00 C ATOM 732 O THR A 51 7.419 15.062 -11.160 1.00 0.00 O ATOM 733 CB THR A 51 4.733 15.569 -11.522 1.00 0.00 C ATOM 734 OG1 THR A 51 5.311 16.879 -11.511 1.00 0.00 O ATOM 735 CG2 THR A 51 3.216 15.679 -11.550 1.00 0.00 C ATOM 0 H THR A 51 3.893 14.555 -8.666 1.00 0.00 H new ATOM 0 HA THR A 51 4.936 13.726 -10.418 1.00 0.00 H new ATOM 0 HB THR A 51 5.060 15.036 -12.415 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.998 17.368 -10.722 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.908 16.244 -12.430 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.779 14.681 -11.588 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.872 16.191 -10.652 1.00 0.00 H new ATOM 743 N SER A 52 7.212 14.823 -8.933 1.00 0.00 N ATOM 744 CA SER A 52 8.644 14.931 -8.677 1.00 0.00 C ATOM 745 C SER A 52 9.138 13.751 -7.846 1.00 0.00 C ATOM 746 O SER A 52 8.355 12.891 -7.442 1.00 0.00 O ATOM 747 CB SER A 52 8.957 16.243 -7.956 1.00 0.00 C ATOM 748 OG SER A 52 8.521 17.358 -8.714 1.00 0.00 O ATOM 0 H SER A 52 6.644 14.686 -8.097 1.00 0.00 H new ATOM 0 HA SER A 52 9.161 14.919 -9.636 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.471 16.250 -6.980 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.030 16.317 -7.778 1.00 0.00 H new ATOM 0 HG SER A 52 7.544 17.340 -8.791 1.00 0.00 H new ATOM 754 N SER A 53 10.443 13.716 -7.596 1.00 0.00 N ATOM 755 CA SER A 53 11.043 12.640 -6.816 1.00 0.00 C ATOM 756 C SER A 53 11.263 13.074 -5.370 1.00 0.00 C ATOM 757 O SER A 53 12.212 13.787 -5.046 1.00 0.00 O ATOM 758 CB SER A 53 12.373 12.212 -7.440 1.00 0.00 C ATOM 759 OG SER A 53 13.071 11.318 -6.589 1.00 0.00 O ATOM 0 H SER A 53 11.105 14.420 -7.922 1.00 0.00 H new ATOM 0 HA SER A 53 10.357 11.793 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.190 11.735 -8.403 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.988 13.091 -7.632 1.00 0.00 H new ATOM 0 HG SER A 53 13.917 11.058 -7.011 1.00 0.00 H new ATOM 765 N PRO A 54 10.363 12.633 -4.478 1.00 0.00 N ATOM 766 CA PRO A 54 10.436 12.961 -3.052 1.00 0.00 C ATOM 767 C PRO A 54 11.607 12.274 -2.357 1.00 0.00 C ATOM 768 O PRO A 54 12.342 12.899 -1.595 1.00 0.00 O ATOM 769 CB PRO A 54 9.106 12.441 -2.499 1.00 0.00 C ATOM 770 CG PRO A 54 8.703 11.359 -3.441 1.00 0.00 C ATOM 771 CD PRO A 54 9.206 11.778 -4.794 1.00 0.00 C ATOM 0 HA PRO A 54 10.594 14.027 -2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.221 12.060 -1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.357 13.232 -2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.134 10.403 -3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.620 11.232 -3.449 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.495 10.919 -5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.446 12.322 -5.355 1.00 0.00 H new ATOM 779 N GLY A 55 11.773 10.983 -2.627 1.00 0.00 N ATOM 780 CA GLY A 55 12.857 10.232 -2.020 1.00 0.00 C ATOM 781 C GLY A 55 12.811 8.759 -2.374 1.00 0.00 C ATOM 782 O GLY A 55 12.008 8.339 -3.206 1.00 0.00 O ATOM 0 H GLY A 55 11.177 10.444 -3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.810 10.651 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.810 10.344 -0.937 1.00 0.00 H new ATOM 786 N GLU A 56 13.676 7.973 -1.741 1.00 0.00 N ATOM 787 CA GLU A 56 13.732 6.538 -1.996 1.00 0.00 C ATOM 788 C GLU A 56 12.614 5.810 -1.256 1.00 0.00 C ATOM 789 O GLU A 56 11.907 4.983 -1.833 1.00 0.00 O ATOM 790 CB GLU A 56 15.090 5.975 -1.572 1.00 0.00 C ATOM 791 CG GLU A 56 15.412 6.200 -0.105 1.00 0.00 C ATOM 792 CD GLU A 56 16.856 5.883 0.232 1.00 0.00 C ATOM 793 OE1 GLU A 56 17.173 4.689 0.415 1.00 0.00 O ATOM 794 OE2 GLU A 56 17.669 6.827 0.312 1.00 0.00 O ATOM 0 H GLU A 56 14.347 8.305 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 56 13.599 6.380 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.111 4.905 -1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.870 6.433 -2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.202 7.238 0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.756 5.580 0.506 1.00 0.00 H new ATOM 801 N LYS A 57 12.460 6.123 0.027 1.00 0.00 N ATOM 802 CA LYS A 57 11.428 5.500 0.848 1.00 0.00 C ATOM 803 C LYS A 57 10.532 6.556 1.487 1.00 0.00 C ATOM 804 O LYS A 57 10.792 7.015 2.599 1.00 0.00 O ATOM 805 CB LYS A 57 12.067 4.632 1.934 1.00 0.00 C ATOM 806 CG LYS A 57 12.983 3.551 1.388 1.00 0.00 C ATOM 807 CD LYS A 57 12.196 2.349 0.896 1.00 0.00 C ATOM 808 CE LYS A 57 11.728 1.478 2.052 1.00 0.00 C ATOM 809 NZ LYS A 57 12.758 0.476 2.443 1.00 0.00 N ATOM 0 H LYS A 57 13.037 6.804 0.520 1.00 0.00 H new ATOM 0 HA LYS A 57 10.815 4.870 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.635 5.271 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.279 4.165 2.524 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.579 3.957 0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.680 3.237 2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.334 2.688 0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.816 1.758 0.222 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.491 2.108 2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.809 0.964 1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.401 -0.098 3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.966 -0.142 1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.627 0.967 2.736 1.00 0.00 H new ATOM 823 N VAL A 58 9.474 6.936 0.778 1.00 0.00 N ATOM 824 CA VAL A 58 8.537 7.935 1.277 1.00 0.00 C ATOM 825 C VAL A 58 7.137 7.350 1.425 1.00 0.00 C ATOM 826 O VAL A 58 6.327 7.841 2.213 1.00 0.00 O ATOM 827 CB VAL A 58 8.474 9.160 0.346 1.00 0.00 C ATOM 828 CG1 VAL A 58 9.838 9.826 0.246 1.00 0.00 C ATOM 829 CG2 VAL A 58 7.966 8.758 -1.030 1.00 0.00 C ATOM 0 H VAL A 58 9.244 6.567 -0.145 1.00 0.00 H new ATOM 0 HA VAL A 58 8.901 8.250 2.255 1.00 0.00 H new ATOM 0 HB VAL A 58 7.775 9.881 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.774 10.689 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.158 10.151 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.561 9.115 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.928 9.636 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.638 8.018 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.967 8.331 -0.939 1.00 0.00 H new ATOM 839 N PHE A 59 6.857 6.299 0.662 1.00 0.00 N ATOM 840 CA PHE A 59 5.554 5.647 0.707 1.00 0.00 C ATOM 841 C PHE A 59 5.706 4.138 0.877 1.00 0.00 C ATOM 842 O PHE A 59 6.348 3.474 0.063 1.00 0.00 O ATOM 843 CB PHE A 59 4.763 5.951 -0.567 1.00 0.00 C ATOM 844 CG PHE A 59 4.376 7.396 -0.702 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.554 7.997 0.237 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.835 8.153 -1.768 1.00 0.00 C ATOM 847 CE1 PHE A 59 3.197 9.327 0.116 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.481 9.483 -1.894 1.00 0.00 C ATOM 849 CZ PHE A 59 3.660 10.070 -0.951 1.00 0.00 C ATOM 0 H PHE A 59 7.515 5.881 0.005 1.00 0.00 H new ATOM 0 HA PHE A 59 5.010 6.039 1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.358 5.660 -1.433 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.861 5.339 -0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.188 7.420 1.073 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.476 7.699 -2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.556 9.784 0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.846 10.063 -2.729 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.381 11.109 -1.048 1.00 0.00 H new ATOM 859 N GLN A 60 5.111 3.604 1.939 1.00 0.00 N ATOM 860 CA GLN A 60 5.182 2.175 2.216 1.00 0.00 C ATOM 861 C GLN A 60 3.789 1.554 2.231 1.00 0.00 C ATOM 862 O GLN A 60 2.819 2.189 2.645 1.00 0.00 O ATOM 863 CB GLN A 60 5.878 1.927 3.555 1.00 0.00 C ATOM 864 CG GLN A 60 5.807 0.481 4.020 1.00 0.00 C ATOM 865 CD GLN A 60 6.871 -0.389 3.382 1.00 0.00 C ATOM 866 OE1 GLN A 60 7.270 -0.165 2.238 1.00 0.00 O ATOM 867 NE2 GLN A 60 7.338 -1.391 4.119 1.00 0.00 N ATOM 0 H GLN A 60 4.575 4.140 2.621 1.00 0.00 H new ATOM 0 HA GLN A 60 5.761 1.705 1.421 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.924 2.222 3.471 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.426 2.566 4.314 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.916 0.446 5.104 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.823 0.076 3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.980 -1.541 5.062 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.055 -2.011 3.742 1.00 0.00 H new ATOM 876 N VAL A 61 3.697 0.308 1.776 1.00 0.00 N ATOM 877 CA VAL A 61 2.423 -0.400 1.738 1.00 0.00 C ATOM 878 C VAL A 61 2.500 -1.712 2.510 1.00 0.00 C ATOM 879 O VAL A 61 3.374 -2.542 2.259 1.00 0.00 O ATOM 880 CB VAL A 61 1.987 -0.693 0.290 1.00 0.00 C ATOM 881 CG1 VAL A 61 0.698 -1.501 0.273 1.00 0.00 C ATOM 882 CG2 VAL A 61 1.823 0.603 -0.490 1.00 0.00 C ATOM 0 H VAL A 61 4.490 -0.232 1.429 1.00 0.00 H new ATOM 0 HA VAL A 61 1.685 0.251 2.207 1.00 0.00 H new ATOM 0 HB VAL A 61 2.765 -1.285 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.406 -1.698 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.854 -2.446 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.091 -0.938 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.515 0.377 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.065 1.223 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.772 1.139 -0.508 1.00 0.00 H new ATOM 892 N LYS A 62 1.578 -1.894 3.450 1.00 0.00 N ATOM 893 CA LYS A 62 1.539 -3.107 4.259 1.00 0.00 C ATOM 894 C LYS A 62 0.251 -3.885 4.010 1.00 0.00 C ATOM 895 O LYS A 62 -0.804 -3.298 3.768 1.00 0.00 O ATOM 896 CB LYS A 62 1.658 -2.758 5.744 1.00 0.00 C ATOM 897 CG LYS A 62 1.623 -3.970 6.658 1.00 0.00 C ATOM 898 CD LYS A 62 3.011 -4.550 6.868 1.00 0.00 C ATOM 899 CE LYS A 62 3.135 -5.222 8.228 1.00 0.00 C ATOM 900 NZ LYS A 62 2.527 -6.581 8.232 1.00 0.00 N ATOM 0 H LYS A 62 0.848 -1.217 3.670 1.00 0.00 H new ATOM 0 HA LYS A 62 2.383 -3.734 3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.590 -2.217 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.846 -2.084 6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.196 -3.689 7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.971 -4.731 6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.227 -5.274 6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.754 -3.757 6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.187 -5.294 8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.650 -4.605 8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.632 -7.005 9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.517 -6.510 7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.007 -7.178 7.529 1.00 0.00 H new ATOM 914 N VAL A 63 0.344 -5.210 4.072 1.00 0.00 N ATOM 915 CA VAL A 63 -0.815 -6.068 3.857 1.00 0.00 C ATOM 916 C VAL A 63 -1.003 -7.039 5.017 1.00 0.00 C ATOM 917 O VAL A 63 -0.041 -7.630 5.507 1.00 0.00 O ATOM 918 CB VAL A 63 -0.684 -6.869 2.548 1.00 0.00 C ATOM 919 CG1 VAL A 63 -1.818 -7.875 2.421 1.00 0.00 C ATOM 920 CG2 VAL A 63 -0.656 -5.931 1.350 1.00 0.00 C ATOM 0 H VAL A 63 1.210 -5.712 4.269 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.685 -5.414 3.790 1.00 0.00 H new ATOM 0 HB VAL A 63 0.257 -7.419 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.708 -8.431 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.787 -8.567 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.773 -7.349 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.563 -6.514 0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.579 -5.352 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.194 -5.254 1.437 1.00 0.00 H new ATOM 930 N SER A 64 -2.249 -7.199 5.452 1.00 0.00 N ATOM 931 CA SER A 64 -2.563 -8.096 6.557 1.00 0.00 C ATOM 932 C SER A 64 -3.929 -8.746 6.358 1.00 0.00 C ATOM 933 O SER A 64 -4.857 -8.121 5.844 1.00 0.00 O ATOM 934 CB SER A 64 -2.538 -7.334 7.884 1.00 0.00 C ATOM 935 OG SER A 64 -1.240 -6.837 8.162 1.00 0.00 O ATOM 0 H SER A 64 -3.057 -6.719 5.056 1.00 0.00 H new ATOM 0 HA SER A 64 -1.806 -8.880 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.247 -6.507 7.846 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.859 -7.992 8.691 1.00 0.00 H new ATOM 0 HG SER A 64 -1.251 -6.353 9.014 1.00 0.00 H new ATOM 941 N ALA A 65 -4.044 -10.004 6.768 1.00 0.00 N ATOM 942 CA ALA A 65 -5.296 -10.739 6.637 1.00 0.00 C ATOM 943 C ALA A 65 -6.206 -10.493 7.836 1.00 0.00 C ATOM 944 O ALA A 65 -5.755 -10.391 8.977 1.00 0.00 O ATOM 945 CB ALA A 65 -5.021 -12.227 6.478 1.00 0.00 C ATOM 0 H ALA A 65 -3.285 -10.536 7.194 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.808 -10.378 5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.965 -12.763 6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.417 -12.392 5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.484 -12.593 7.353 1.00 0.00 H new ATOM 951 N PRO A 66 -7.518 -10.393 7.574 1.00 0.00 N ATOM 952 CA PRO A 66 -8.518 -10.157 8.620 1.00 0.00 C ATOM 953 C PRO A 66 -8.693 -11.363 9.537 1.00 0.00 C ATOM 954 O PRO A 66 -8.643 -11.234 10.760 1.00 0.00 O ATOM 955 CB PRO A 66 -9.802 -9.897 7.829 1.00 0.00 C ATOM 956 CG PRO A 66 -9.597 -10.598 6.531 1.00 0.00 C ATOM 957 CD PRO A 66 -8.125 -10.504 6.238 1.00 0.00 C ATOM 0 HA PRO A 66 -8.233 -9.337 9.280 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.675 -10.284 8.354 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.966 -8.830 7.681 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.917 -11.638 6.594 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.183 -10.132 5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.764 -11.384 5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.893 -9.638 5.618 1.00 0.00 H new ATOM 965 N GLU A 67 -8.897 -12.532 8.939 1.00 0.00 N ATOM 966 CA GLU A 67 -9.079 -13.759 9.705 1.00 0.00 C ATOM 967 C GLU A 67 -7.732 -14.367 10.087 1.00 0.00 C ATOM 968 O GLU A 67 -7.420 -14.514 11.269 1.00 0.00 O ATOM 969 CB GLU A 67 -9.897 -14.772 8.900 1.00 0.00 C ATOM 970 CG GLU A 67 -11.253 -14.246 8.460 1.00 0.00 C ATOM 971 CD GLU A 67 -12.261 -15.355 8.226 1.00 0.00 C ATOM 972 OE1 GLU A 67 -12.816 -15.872 9.218 1.00 0.00 O ATOM 973 OE2 GLU A 67 -12.494 -15.706 7.051 1.00 0.00 O ATOM 0 H GLU A 67 -8.940 -12.655 7.927 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.618 -13.510 10.619 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.328 -15.068 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.042 -15.669 9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.638 -13.564 9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.134 -13.668 7.543 1.00 0.00 H new ATOM 980 N GLU A 68 -6.940 -14.717 9.079 1.00 0.00 N ATOM 981 CA GLU A 68 -5.628 -15.310 9.311 1.00 0.00 C ATOM 982 C GLU A 68 -4.788 -14.431 10.233 1.00 0.00 C ATOM 983 O GLU A 68 -4.851 -13.204 10.164 1.00 0.00 O ATOM 984 CB GLU A 68 -4.896 -15.519 7.983 1.00 0.00 C ATOM 985 CG GLU A 68 -3.937 -16.696 7.995 1.00 0.00 C ATOM 986 CD GLU A 68 -3.148 -16.820 6.706 1.00 0.00 C ATOM 987 OE1 GLU A 68 -2.505 -15.828 6.305 1.00 0.00 O ATOM 988 OE2 GLU A 68 -3.175 -17.911 6.097 1.00 0.00 O ATOM 0 H GLU A 68 -7.183 -14.601 8.095 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.775 -16.276 9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.631 -15.668 7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.343 -14.613 7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.246 -16.588 8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.498 -17.615 8.163 1.00 0.00 H new ATOM 995 N GLN A 69 -4.005 -15.068 11.097 1.00 0.00 N ATOM 996 CA GLN A 69 -3.154 -14.345 12.034 1.00 0.00 C ATOM 997 C GLN A 69 -2.035 -13.614 11.301 1.00 0.00 C ATOM 998 O GLN A 69 -2.027 -12.385 11.225 1.00 0.00 O ATOM 999 CB GLN A 69 -2.562 -15.307 13.066 1.00 0.00 C ATOM 1000 CG GLN A 69 -3.536 -16.378 13.528 1.00 0.00 C ATOM 1001 CD GLN A 69 -3.230 -16.880 14.926 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -2.589 -16.191 15.719 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -3.690 -18.087 15.235 1.00 0.00 N ATOM 0 H GLN A 69 -3.942 -16.084 11.168 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.769 -13.606 12.548 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.682 -15.788 12.639 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.225 -14.736 13.931 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.549 -15.977 13.503 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.507 -17.215 12.831 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.217 -18.624 14.546 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.516 -18.477 16.161 1.00 0.00 H new ATOM 1012 N PHE A 70 -1.090 -14.377 10.762 1.00 0.00 N ATOM 1013 CA PHE A 70 0.036 -13.802 10.036 1.00 0.00 C ATOM 1014 C PHE A 70 -0.040 -14.148 8.552 1.00 0.00 C ATOM 1015 O PHE A 70 -0.724 -15.093 8.156 1.00 0.00 O ATOM 1016 CB PHE A 70 1.358 -14.304 10.620 1.00 0.00 C ATOM 1017 CG PHE A 70 1.435 -15.800 10.730 1.00 0.00 C ATOM 1018 CD1 PHE A 70 1.925 -16.561 9.681 1.00 0.00 C ATOM 1019 CD2 PHE A 70 1.018 -16.446 11.883 1.00 0.00 C ATOM 1020 CE1 PHE A 70 1.996 -17.938 9.779 1.00 0.00 C ATOM 1021 CE2 PHE A 70 1.087 -17.822 11.988 1.00 0.00 C ATOM 1022 CZ PHE A 70 1.577 -18.569 10.934 1.00 0.00 C ATOM 0 H PHE A 70 -1.082 -15.396 10.814 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.012 -12.718 10.142 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.179 -13.951 9.996 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.498 -13.867 11.609 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.255 -16.073 8.776 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.634 -15.867 12.710 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.379 -18.520 8.953 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.759 -18.313 12.892 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.632 -19.645 11.013 1.00 0.00 H new ATOM 1032 N THR A 71 0.666 -13.375 7.733 1.00 0.00 N ATOM 1033 CA THR A 71 0.678 -13.597 6.292 1.00 0.00 C ATOM 1034 C THR A 71 2.092 -13.496 5.732 1.00 0.00 C ATOM 1035 O THR A 71 2.882 -12.656 6.162 1.00 0.00 O ATOM 1036 CB THR A 71 -0.226 -12.587 5.561 1.00 0.00 C ATOM 1037 OG1 THR A 71 0.276 -12.346 4.242 1.00 0.00 O ATOM 1038 CG2 THR A 71 -0.302 -11.275 6.327 1.00 0.00 C ATOM 0 H THR A 71 1.237 -12.589 8.043 1.00 0.00 H new ATOM 0 HA THR A 71 0.295 -14.604 6.124 1.00 0.00 H new ATOM 0 HB THR A 71 -1.228 -13.010 5.497 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.305 -11.704 3.783 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.946 -10.578 5.791 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.712 -11.457 7.321 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.697 -10.849 6.419 1.00 0.00 H new ATOM 1046 N ARG A 72 2.404 -14.356 4.768 1.00 0.00 N ATOM 1047 CA ARG A 72 3.724 -14.363 4.149 1.00 0.00 C ATOM 1048 C ARG A 72 3.737 -13.507 2.886 1.00 0.00 C ATOM 1049 O ARG A 72 3.557 -14.013 1.778 1.00 0.00 O ATOM 1050 CB ARG A 72 4.145 -15.795 3.811 1.00 0.00 C ATOM 1051 CG ARG A 72 4.881 -16.496 4.941 1.00 0.00 C ATOM 1052 CD ARG A 72 3.916 -17.037 5.984 1.00 0.00 C ATOM 1053 NE ARG A 72 4.611 -17.730 7.065 1.00 0.00 N ATOM 1054 CZ ARG A 72 5.020 -18.992 6.987 1.00 0.00 C ATOM 1055 NH1 ARG A 72 4.806 -19.694 5.883 1.00 0.00 N ATOM 1056 NH2 ARG A 72 5.646 -19.553 8.014 1.00 0.00 N ATOM 0 H ARG A 72 1.761 -15.057 4.399 1.00 0.00 H new ATOM 0 HA ARG A 72 4.433 -13.941 4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.258 -16.374 3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.784 -15.778 2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.477 -17.314 4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.574 -15.799 5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.331 -16.215 6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.213 -17.721 5.508 1.00 0.00 H new ATOM 0 HE ARG A 72 4.793 -17.217 7.928 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.327 -19.266 5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.121 -20.662 5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.814 -19.015 8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.959 -20.522 7.953 1.00 0.00 H new ATOM 1070 N VAL A 73 3.950 -12.207 3.061 1.00 0.00 N ATOM 1071 CA VAL A 73 3.986 -11.280 1.937 1.00 0.00 C ATOM 1072 C VAL A 73 5.264 -10.448 1.951 1.00 0.00 C ATOM 1073 O VAL A 73 5.691 -9.965 2.999 1.00 0.00 O ATOM 1074 CB VAL A 73 2.771 -10.333 1.949 1.00 0.00 C ATOM 1075 CG1 VAL A 73 2.849 -9.348 0.793 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.476 -11.130 1.895 1.00 0.00 C ATOM 0 H VAL A 73 4.100 -11.772 3.971 1.00 0.00 H new ATOM 0 HA VAL A 73 3.958 -11.883 1.030 1.00 0.00 H new ATOM 0 HB VAL A 73 2.784 -9.765 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.982 -8.688 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.759 -8.755 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.861 -9.894 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.627 -10.446 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.453 -11.725 0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.419 -11.791 2.760 1.00 0.00 H new ATOM 1086 N GLY A 74 5.871 -10.284 0.779 1.00 0.00 N ATOM 1087 CA GLY A 74 7.094 -9.510 0.679 1.00 0.00 C ATOM 1088 C GLY A 74 6.956 -8.326 -0.257 1.00 0.00 C ATOM 1089 O GLY A 74 7.277 -8.421 -1.442 1.00 0.00 O ATOM 0 H GLY A 74 5.537 -10.674 -0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.378 -9.155 1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.900 -10.154 0.328 1.00 0.00 H new ATOM 1093 N VAL A 75 6.475 -7.206 0.274 1.00 0.00 N ATOM 1094 CA VAL A 75 6.294 -5.998 -0.522 1.00 0.00 C ATOM 1095 C VAL A 75 7.631 -5.326 -0.812 1.00 0.00 C ATOM 1096 O VAL A 75 8.542 -5.352 0.016 1.00 0.00 O ATOM 1097 CB VAL A 75 5.369 -4.992 0.188 1.00 0.00 C ATOM 1098 CG1 VAL A 75 5.165 -3.755 -0.673 1.00 0.00 C ATOM 1099 CG2 VAL A 75 4.035 -5.642 0.526 1.00 0.00 C ATOM 0 H VAL A 75 6.204 -7.110 1.253 1.00 0.00 H new ATOM 0 HA VAL A 75 5.833 -6.303 -1.461 1.00 0.00 H new ATOM 0 HB VAL A 75 5.843 -4.683 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.509 -3.055 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.128 -3.279 -0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.712 -4.043 -1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.394 -4.917 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.552 -5.980 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.202 -6.495 1.184 1.00 0.00 H new ATOM 1109 N GLN A 76 7.741 -4.724 -1.991 1.00 0.00 N ATOM 1110 CA GLN A 76 8.967 -4.044 -2.390 1.00 0.00 C ATOM 1111 C GLN A 76 8.664 -2.880 -3.328 1.00 0.00 C ATOM 1112 O GLN A 76 8.260 -3.081 -4.473 1.00 0.00 O ATOM 1113 CB GLN A 76 9.922 -5.027 -3.070 1.00 0.00 C ATOM 1114 CG GLN A 76 11.249 -4.405 -3.475 1.00 0.00 C ATOM 1115 CD GLN A 76 12.050 -5.294 -4.406 1.00 0.00 C ATOM 1116 OE1 GLN A 76 11.710 -5.449 -5.579 1.00 0.00 O ATOM 1117 NE2 GLN A 76 13.121 -5.883 -3.887 1.00 0.00 N ATOM 0 H GLN A 76 6.996 -4.693 -2.687 1.00 0.00 H new ATOM 0 HA GLN A 76 9.442 -3.649 -1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.112 -5.861 -2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.437 -5.438 -3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.064 -3.448 -3.963 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.837 -4.198 -2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.366 -5.726 -2.909 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.699 -6.492 -4.466 1.00 0.00 H new ATOM 1126 N VAL A 77 8.863 -1.662 -2.835 1.00 0.00 N ATOM 1127 CA VAL A 77 8.612 -0.465 -3.629 1.00 0.00 C ATOM 1128 C VAL A 77 9.816 -0.119 -4.498 1.00 0.00 C ATOM 1129 O VAL A 77 10.960 -0.181 -4.046 1.00 0.00 O ATOM 1130 CB VAL A 77 8.275 0.742 -2.734 1.00 0.00 C ATOM 1131 CG1 VAL A 77 7.141 0.400 -1.780 1.00 0.00 C ATOM 1132 CG2 VAL A 77 9.508 1.198 -1.968 1.00 0.00 C ATOM 0 H VAL A 77 9.197 -1.478 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 77 7.757 -0.683 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 77 7.946 1.563 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.917 1.265 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.254 0.126 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.438 -0.437 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.252 2.052 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.869 0.383 -1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.288 1.487 -2.673 1.00 0.00 H new ATOM 1142 N LEU A 78 9.551 0.244 -5.748 1.00 0.00 N ATOM 1143 CA LEU A 78 10.614 0.601 -6.682 1.00 0.00 C ATOM 1144 C LEU A 78 10.337 1.954 -7.331 1.00 0.00 C ATOM 1145 O LEU A 78 9.202 2.431 -7.333 1.00 0.00 O ATOM 1146 CB LEU A 78 10.754 -0.475 -7.760 1.00 0.00 C ATOM 1147 CG LEU A 78 11.693 -1.636 -7.431 1.00 0.00 C ATOM 1148 CD1 LEU A 78 11.554 -2.744 -8.463 1.00 0.00 C ATOM 1149 CD2 LEU A 78 13.134 -1.152 -7.356 1.00 0.00 C ATOM 0 H LEU A 78 8.610 0.299 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 78 11.547 0.671 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.765 -0.882 -7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.104 0.000 -8.676 1.00 0.00 H new ATOM 0 HG LEU A 78 11.415 -2.038 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.230 -3.562 -8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.527 -3.110 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.805 -2.355 -9.450 1.00 0.00 H new ATOM 0 HD21 LEU A 78 13.788 -1.992 -7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.424 -0.723 -8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 78 13.223 -0.394 -6.578 1.00 0.00 H new ATOM 1161 N ASP A 79 11.380 2.565 -7.881 1.00 0.00 N ATOM 1162 CA ASP A 79 11.249 3.861 -8.536 1.00 0.00 C ATOM 1163 C ASP A 79 11.155 3.698 -10.050 1.00 0.00 C ATOM 1164 O ASP A 79 12.122 3.305 -10.703 1.00 0.00 O ATOM 1165 CB ASP A 79 12.436 4.758 -8.180 1.00 0.00 C ATOM 1166 CG ASP A 79 13.691 4.388 -8.945 1.00 0.00 C ATOM 1167 OD1 ASP A 79 13.999 3.181 -9.031 1.00 0.00 O ATOM 1168 OD2 ASP A 79 14.367 5.305 -9.456 1.00 0.00 O ATOM 0 H ASP A 79 12.326 2.184 -7.886 1.00 0.00 H new ATOM 0 HA ASP A 79 10.330 4.329 -8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.179 5.796 -8.390 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.632 4.688 -7.110 1.00 0.00 H new ATOM 1173 N ARG A 80 9.984 4.001 -10.601 1.00 0.00 N ATOM 1174 CA ARG A 80 9.763 3.886 -12.037 1.00 0.00 C ATOM 1175 C ARG A 80 9.864 5.250 -12.714 1.00 0.00 C ATOM 1176 O ARG A 80 10.615 5.425 -13.673 1.00 0.00 O ATOM 1177 CB ARG A 80 8.392 3.266 -12.315 1.00 0.00 C ATOM 1178 CG ARG A 80 8.360 1.757 -12.142 1.00 0.00 C ATOM 1179 CD ARG A 80 7.251 1.125 -12.969 1.00 0.00 C ATOM 1180 NE ARG A 80 7.580 -0.240 -13.374 1.00 0.00 N ATOM 1181 CZ ARG A 80 8.406 -0.531 -14.372 1.00 0.00 C ATOM 1182 NH1 ARG A 80 8.984 0.441 -15.064 1.00 0.00 N ATOM 1183 NH2 ARG A 80 8.655 -1.798 -14.680 1.00 0.00 N ATOM 0 H ARG A 80 9.174 4.328 -10.074 1.00 0.00 H new ATOM 0 HA ARG A 80 10.537 3.238 -12.448 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.657 3.715 -11.647 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.091 3.513 -13.333 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.321 1.335 -12.437 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.215 1.513 -11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.327 1.119 -12.391 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.069 1.732 -13.856 1.00 0.00 H new ATOM 0 HE ARG A 80 7.152 -1.011 -12.862 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.795 1.416 -14.830 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.618 0.214 -15.830 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.212 -2.548 -14.150 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.290 -2.021 -15.447 1.00 0.00 H new ATOM 1197 N LYS A 81 9.102 6.213 -12.208 1.00 0.00 N ATOM 1198 CA LYS A 81 9.105 7.562 -12.761 1.00 0.00 C ATOM 1199 C LYS A 81 9.348 8.598 -11.669 1.00 0.00 C ATOM 1200 O LYS A 81 9.359 8.272 -10.482 1.00 0.00 O ATOM 1201 CB LYS A 81 7.776 7.850 -13.464 1.00 0.00 C ATOM 1202 CG LYS A 81 7.654 7.190 -14.827 1.00 0.00 C ATOM 1203 CD LYS A 81 6.717 7.963 -15.739 1.00 0.00 C ATOM 1204 CE LYS A 81 6.142 7.074 -16.832 1.00 0.00 C ATOM 1205 NZ LYS A 81 4.893 6.393 -16.393 1.00 0.00 N ATOM 0 H LYS A 81 8.474 6.084 -11.415 1.00 0.00 H new ATOM 0 HA LYS A 81 9.916 7.628 -13.487 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.958 7.509 -12.830 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.662 8.928 -13.580 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.639 7.122 -15.289 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.287 6.171 -14.707 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.905 8.389 -15.150 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.254 8.797 -16.192 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.936 7.675 -17.718 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.882 6.327 -17.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.533 5.797 -17.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.094 5.800 -15.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.178 7.106 -16.144 1.00 0.00 H new ATOM 1219 N ASP A 82 9.542 9.847 -12.077 1.00 0.00 N ATOM 1220 CA ASP A 82 9.783 10.932 -11.133 1.00 0.00 C ATOM 1221 C ASP A 82 8.469 11.562 -10.682 1.00 0.00 C ATOM 1222 O ASP A 82 8.374 12.778 -10.524 1.00 0.00 O ATOM 1223 CB ASP A 82 10.683 11.996 -11.764 1.00 0.00 C ATOM 1224 CG ASP A 82 12.056 11.458 -12.116 1.00 0.00 C ATOM 1225 OD1 ASP A 82 12.133 10.515 -12.932 1.00 0.00 O ATOM 1226 OD2 ASP A 82 13.053 11.981 -11.577 1.00 0.00 O ATOM 0 H ASP A 82 9.537 10.134 -13.056 1.00 0.00 H new ATOM 0 HA ASP A 82 10.284 10.515 -10.259 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.206 12.384 -12.664 1.00 0.00 H new ATOM 0 HB3 ASP A 82 10.790 12.833 -11.074 1.00 0.00 H new ATOM 1231 N GLY A 83 7.457 10.724 -10.477 1.00 0.00 N ATOM 1232 CA GLY A 83 6.161 11.217 -10.047 1.00 0.00 C ATOM 1233 C GLY A 83 5.287 10.123 -9.469 1.00 0.00 C ATOM 1234 O GLY A 83 4.578 10.339 -8.485 1.00 0.00 O ATOM 0 H GLY A 83 7.511 9.713 -10.601 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.303 11.998 -9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.651 11.676 -10.894 1.00 0.00 H new ATOM 1238 N SER A 84 5.335 8.944 -10.080 1.00 0.00 N ATOM 1239 CA SER A 84 4.536 7.812 -9.624 1.00 0.00 C ATOM 1240 C SER A 84 5.432 6.654 -9.193 1.00 0.00 C ATOM 1241 O SER A 84 6.600 6.583 -9.574 1.00 0.00 O ATOM 1242 CB SER A 84 3.585 7.352 -10.730 1.00 0.00 C ATOM 1243 OG SER A 84 2.510 6.598 -10.197 1.00 0.00 O ATOM 0 H SER A 84 5.919 8.747 -10.893 1.00 0.00 H new ATOM 0 HA SER A 84 3.950 8.136 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.196 8.219 -11.263 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.131 6.750 -11.456 1.00 0.00 H new ATOM 0 HG SER A 84 1.858 6.412 -10.905 1.00 0.00 H new ATOM 1249 N PHE A 85 4.874 5.748 -8.396 1.00 0.00 N ATOM 1250 CA PHE A 85 5.621 4.593 -7.912 1.00 0.00 C ATOM 1251 C PHE A 85 4.857 3.300 -8.181 1.00 0.00 C ATOM 1252 O PHE A 85 3.668 3.324 -8.499 1.00 0.00 O ATOM 1253 CB PHE A 85 5.901 4.731 -6.414 1.00 0.00 C ATOM 1254 CG PHE A 85 6.902 5.802 -6.088 1.00 0.00 C ATOM 1255 CD1 PHE A 85 8.207 5.711 -6.544 1.00 0.00 C ATOM 1256 CD2 PHE A 85 6.538 6.900 -5.324 1.00 0.00 C ATOM 1257 CE1 PHE A 85 9.131 6.695 -6.245 1.00 0.00 C ATOM 1258 CE2 PHE A 85 7.458 7.887 -5.023 1.00 0.00 C ATOM 1259 CZ PHE A 85 8.756 7.784 -5.483 1.00 0.00 C ATOM 0 H PHE A 85 3.908 5.792 -8.072 1.00 0.00 H new ATOM 0 HA PHE A 85 6.569 4.553 -8.449 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.967 4.948 -5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.263 3.777 -6.031 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.506 4.861 -7.140 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.525 6.985 -4.960 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.145 6.612 -6.607 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.162 8.738 -4.428 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.476 8.553 -5.247 1.00 0.00 H new ATOM 1269 N ILE A 86 5.550 2.173 -8.053 1.00 0.00 N ATOM 1270 CA ILE A 86 4.937 0.870 -8.281 1.00 0.00 C ATOM 1271 C ILE A 86 5.230 -0.084 -7.129 1.00 0.00 C ATOM 1272 O ILE A 86 6.383 -0.270 -6.740 1.00 0.00 O ATOM 1273 CB ILE A 86 5.433 0.238 -9.595 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.516 -0.914 -10.010 1.00 0.00 C ATOM 1275 CG2 ILE A 86 6.867 -0.247 -9.442 1.00 0.00 C ATOM 1276 CD1 ILE A 86 4.529 -1.192 -11.497 1.00 0.00 C ATOM 0 H ILE A 86 6.536 2.136 -7.793 1.00 0.00 H new ATOM 0 HA ILE A 86 3.862 1.034 -8.349 1.00 0.00 H new ATOM 0 HB ILE A 86 5.409 0.996 -10.377 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.816 -1.816 -9.477 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.496 -0.685 -9.700 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.203 -0.691 -10.379 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.511 0.595 -9.188 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.916 -0.993 -8.649 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.856 -2.021 -11.718 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.200 -0.304 -12.036 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.540 -1.452 -11.810 1.00 0.00 H new ATOM 1288 N VAL A 87 4.178 -0.689 -6.587 1.00 0.00 N ATOM 1289 CA VAL A 87 4.322 -1.628 -5.480 1.00 0.00 C ATOM 1290 C VAL A 87 4.123 -3.065 -5.950 1.00 0.00 C ATOM 1291 O VAL A 87 3.156 -3.374 -6.646 1.00 0.00 O ATOM 1292 CB VAL A 87 3.317 -1.325 -4.353 1.00 0.00 C ATOM 1293 CG1 VAL A 87 3.430 -2.360 -3.244 1.00 0.00 C ATOM 1294 CG2 VAL A 87 3.537 0.078 -3.807 1.00 0.00 C ATOM 0 H VAL A 87 3.217 -0.546 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 87 5.335 -1.511 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 87 2.309 -1.377 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.712 -2.129 -2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.220 -3.350 -3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.439 -2.343 -2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.818 0.276 -3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.549 0.160 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.401 0.805 -4.607 1.00 0.00 H new ATOM 1304 N ARG A 88 5.046 -3.940 -5.563 1.00 0.00 N ATOM 1305 CA ARG A 88 4.973 -5.345 -5.945 1.00 0.00 C ATOM 1306 C ARG A 88 5.195 -6.249 -4.736 1.00 0.00 C ATOM 1307 O ARG A 88 6.153 -6.072 -3.983 1.00 0.00 O ATOM 1308 CB ARG A 88 6.010 -5.657 -7.025 1.00 0.00 C ATOM 1309 CG ARG A 88 7.345 -4.963 -6.806 1.00 0.00 C ATOM 1310 CD ARG A 88 8.204 -5.000 -8.060 1.00 0.00 C ATOM 1311 NE ARG A 88 7.726 -4.068 -9.079 1.00 0.00 N ATOM 1312 CZ ARG A 88 8.100 -4.117 -10.352 1.00 0.00 C ATOM 1313 NH1 ARG A 88 8.952 -5.047 -10.762 1.00 0.00 N ATOM 1314 NH2 ARG A 88 7.621 -3.234 -11.220 1.00 0.00 N ATOM 0 H ARG A 88 5.852 -3.701 -4.986 1.00 0.00 H new ATOM 0 HA ARG A 88 3.976 -5.536 -6.342 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.172 -6.734 -7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.611 -5.362 -7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.174 -3.928 -6.511 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.876 -5.445 -5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.234 -4.757 -7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.208 -6.011 -8.467 1.00 0.00 H new ATOM 0 HE ARG A 88 7.069 -3.340 -8.797 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.322 -5.728 -10.099 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.237 -5.082 -11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.965 -2.517 -10.909 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.909 -3.272 -12.198 1.00 0.00 H new ATOM 1328 N TYR A 89 4.303 -7.217 -4.556 1.00 0.00 N ATOM 1329 CA TYR A 89 4.399 -8.147 -3.437 1.00 0.00 C ATOM 1330 C TYR A 89 3.871 -9.525 -3.826 1.00 0.00 C ATOM 1331 O TYR A 89 2.918 -9.641 -4.597 1.00 0.00 O ATOM 1332 CB TYR A 89 3.622 -7.612 -2.234 1.00 0.00 C ATOM 1333 CG TYR A 89 2.129 -7.828 -2.332 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.579 -9.096 -2.188 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.267 -6.764 -2.569 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.215 -9.297 -2.278 1.00 0.00 C ATOM 1337 CE2 TYR A 89 -0.098 -6.956 -2.660 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.619 -8.225 -2.514 1.00 0.00 C ATOM 1339 OH TYR A 89 -1.978 -8.421 -2.603 1.00 0.00 O ATOM 0 H TYR A 89 3.505 -7.378 -5.171 1.00 0.00 H new ATOM 0 HA TYR A 89 5.451 -8.244 -3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.992 -8.095 -1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.820 -6.545 -2.130 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.229 -9.939 -2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.671 -5.769 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.196 -10.289 -2.164 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.753 -6.118 -2.844 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.422 -7.564 -2.771 1.00 0.00 H new ATOM 1349 N ARG A 90 4.497 -10.565 -3.287 1.00 0.00 N ATOM 1350 CA ARG A 90 4.091 -11.935 -3.577 1.00 0.00 C ATOM 1351 C ARG A 90 3.604 -12.637 -2.313 1.00 0.00 C ATOM 1352 O ARG A 90 4.280 -12.626 -1.285 1.00 0.00 O ATOM 1353 CB ARG A 90 5.255 -12.716 -4.190 1.00 0.00 C ATOM 1354 CG ARG A 90 6.415 -12.931 -3.232 1.00 0.00 C ATOM 1355 CD ARG A 90 7.639 -13.473 -3.953 1.00 0.00 C ATOM 1356 NE ARG A 90 8.381 -12.420 -4.641 1.00 0.00 N ATOM 1357 CZ ARG A 90 9.647 -12.543 -5.025 1.00 0.00 C ATOM 1358 NH1 ARG A 90 10.308 -13.669 -4.791 1.00 0.00 N ATOM 1359 NH2 ARG A 90 10.254 -11.540 -5.646 1.00 0.00 N ATOM 0 H ARG A 90 5.287 -10.486 -2.647 1.00 0.00 H new ATOM 0 HA ARG A 90 3.269 -11.900 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.892 -13.686 -4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.615 -12.183 -5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.666 -11.989 -2.745 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.116 -13.626 -2.447 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.293 -13.967 -3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.329 -14.229 -4.675 1.00 0.00 H new ATOM 0 HE ARG A 90 7.901 -11.542 -4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.844 -14.443 -4.315 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.280 -13.761 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.749 -10.673 -5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.226 -11.636 -5.940 1.00 0.00 H new ATOM 1373 N MET A 91 2.426 -13.247 -2.397 1.00 0.00 N ATOM 1374 CA MET A 91 1.849 -13.954 -1.260 1.00 0.00 C ATOM 1375 C MET A 91 1.887 -15.463 -1.482 1.00 0.00 C ATOM 1376 O MET A 91 2.310 -16.219 -0.607 1.00 0.00 O ATOM 1377 CB MET A 91 0.407 -13.498 -1.026 1.00 0.00 C ATOM 1378 CG MET A 91 -0.137 -13.880 0.341 1.00 0.00 C ATOM 1379 SD MET A 91 -1.398 -12.735 0.932 1.00 0.00 S ATOM 1380 CE MET A 91 -2.284 -13.775 2.090 1.00 0.00 C ATOM 0 H MET A 91 1.853 -13.266 -3.240 1.00 0.00 H new ATOM 0 HA MET A 91 2.445 -13.719 -0.378 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.354 -12.415 -1.139 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.232 -13.931 -1.796 1.00 0.00 H new ATOM 0 HG2 MET A 91 -0.558 -14.884 0.292 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.683 -13.912 1.058 1.00 0.00 H new ATOM 0 HE1 MET A 91 -3.349 -13.546 2.043 1.00 0.00 H new ATOM 0 HE2 MET A 91 -2.126 -14.822 1.833 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.917 -13.590 3.100 1.00 0.00 H new ATOM 1390 N TYR A 92 1.442 -15.895 -2.657 1.00 0.00 N ATOM 1391 CA TYR A 92 1.423 -17.314 -2.993 1.00 0.00 C ATOM 1392 C TYR A 92 0.606 -18.103 -1.974 1.00 0.00 C ATOM 1393 O TYR A 92 1.012 -19.180 -1.537 1.00 0.00 O ATOM 1394 CB TYR A 92 2.849 -17.863 -3.056 1.00 0.00 C ATOM 1395 CG TYR A 92 3.542 -17.598 -4.374 1.00 0.00 C ATOM 1396 CD1 TYR A 92 3.138 -18.244 -5.536 1.00 0.00 C ATOM 1397 CD2 TYR A 92 4.600 -16.701 -4.457 1.00 0.00 C ATOM 1398 CE1 TYR A 92 3.769 -18.006 -6.741 1.00 0.00 C ATOM 1399 CE2 TYR A 92 5.235 -16.455 -5.658 1.00 0.00 C ATOM 1400 CZ TYR A 92 4.817 -17.110 -6.798 1.00 0.00 C ATOM 1401 OH TYR A 92 5.447 -16.869 -7.997 1.00 0.00 O ATOM 0 H TYR A 92 1.090 -15.283 -3.393 1.00 0.00 H new ATOM 0 HA TYR A 92 0.955 -17.425 -3.971 1.00 0.00 H new ATOM 0 HB2 TYR A 92 3.436 -17.420 -2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.824 -18.938 -2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 92 2.317 -18.944 -5.496 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.931 -16.187 -3.567 1.00 0.00 H new ATOM 0 HE1 TYR A 92 3.444 -18.519 -7.634 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.055 -15.753 -5.705 1.00 0.00 H new ATOM 0 HH TYR A 92 6.162 -16.212 -7.865 1.00 0.00 H new ATOM 1411 N ALA A 93 -0.548 -17.560 -1.602 1.00 0.00 N ATOM 1412 CA ALA A 93 -1.424 -18.213 -0.637 1.00 0.00 C ATOM 1413 C ALA A 93 -2.884 -17.859 -0.894 1.00 0.00 C ATOM 1414 O ALA A 93 -3.256 -16.685 -0.904 1.00 0.00 O ATOM 1415 CB ALA A 93 -1.027 -17.830 0.781 1.00 0.00 C ATOM 0 H ALA A 93 -0.898 -16.669 -1.954 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.313 -19.291 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.690 -18.325 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.001 -18.140 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.107 -16.750 0.902 1.00 0.00 H new ATOM 1421 N SER A 94 -3.709 -18.880 -1.102 1.00 0.00 N ATOM 1422 CA SER A 94 -5.129 -18.676 -1.363 1.00 0.00 C ATOM 1423 C SER A 94 -5.770 -17.842 -0.258 1.00 0.00 C ATOM 1424 O SER A 94 -5.868 -18.280 0.888 1.00 0.00 O ATOM 1425 CB SER A 94 -5.846 -20.022 -1.484 1.00 0.00 C ATOM 1426 OG SER A 94 -7.156 -19.857 -1.999 1.00 0.00 O ATOM 0 H SER A 94 -3.418 -19.858 -1.095 1.00 0.00 H new ATOM 0 HA SER A 94 -5.226 -18.136 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.276 -20.684 -2.136 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.894 -20.501 -0.506 1.00 0.00 H new ATOM 0 HG SER A 94 -7.593 -20.732 -2.068 1.00 0.00 H new ATOM 1432 N TYR A 95 -6.205 -16.637 -0.611 1.00 0.00 N ATOM 1433 CA TYR A 95 -6.835 -15.740 0.350 1.00 0.00 C ATOM 1434 C TYR A 95 -8.217 -15.310 -0.131 1.00 0.00 C ATOM 1435 O TYR A 95 -8.445 -15.135 -1.328 1.00 0.00 O ATOM 1436 CB TYR A 95 -5.957 -14.509 0.581 1.00 0.00 C ATOM 1437 CG TYR A 95 -5.708 -13.699 -0.671 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -6.721 -12.939 -1.244 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -4.461 -13.694 -1.283 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -6.499 -12.198 -2.388 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -4.229 -12.955 -2.427 1.00 0.00 C ATOM 1442 CZ TYR A 95 -5.251 -12.209 -2.976 1.00 0.00 C ATOM 1443 OH TYR A 95 -5.024 -11.472 -4.116 1.00 0.00 O ATOM 0 H TYR A 95 -6.133 -16.259 -1.556 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.949 -16.278 1.291 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.429 -13.871 1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.000 -14.828 0.993 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.699 -12.928 -0.786 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.659 -14.278 -0.857 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.298 -11.613 -2.820 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.253 -12.961 -2.889 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.614 -11.787 -4.832 1.00 0.00 H new ATOM 1453 N LYS A 96 -9.138 -15.140 0.812 1.00 0.00 N ATOM 1454 CA LYS A 96 -10.499 -14.728 0.487 1.00 0.00 C ATOM 1455 C LYS A 96 -10.664 -13.221 0.650 1.00 0.00 C ATOM 1456 O LYS A 96 -11.200 -12.548 -0.229 1.00 0.00 O ATOM 1457 CB LYS A 96 -11.502 -15.462 1.381 1.00 0.00 C ATOM 1458 CG LYS A 96 -11.804 -16.877 0.922 1.00 0.00 C ATOM 1459 CD LYS A 96 -10.677 -17.832 1.280 1.00 0.00 C ATOM 1460 CE LYS A 96 -10.916 -19.219 0.702 1.00 0.00 C ATOM 1461 NZ LYS A 96 -10.941 -19.202 -0.787 1.00 0.00 N ATOM 0 H LYS A 96 -8.967 -15.281 1.808 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.692 -14.986 -0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.113 -15.494 2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.431 -14.893 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.732 -17.219 1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.960 -16.885 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.732 -17.438 0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.586 -17.899 2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.133 -19.895 1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.862 -19.611 1.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.833 -20.172 -1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.847 -18.810 -1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.160 -18.613 -1.141 1.00 0.00 H new ATOM 1475 N ASN A 97 -10.199 -12.697 1.780 1.00 0.00 N ATOM 1476 CA ASN A 97 -10.295 -11.269 2.057 1.00 0.00 C ATOM 1477 C ASN A 97 -8.952 -10.712 2.518 1.00 0.00 C ATOM 1478 O ASN A 97 -8.319 -11.259 3.423 1.00 0.00 O ATOM 1479 CB ASN A 97 -11.362 -11.005 3.121 1.00 0.00 C ATOM 1480 CG ASN A 97 -11.379 -9.559 3.577 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -10.462 -8.792 3.282 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -12.425 -9.179 4.301 1.00 0.00 N ATOM 0 H ASN A 97 -9.752 -13.241 2.518 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.579 -10.764 1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.342 -11.269 2.722 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.183 -11.652 3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.491 -8.218 4.636 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.162 -9.848 4.522 1.00 0.00 H new ATOM 1489 N LEU A 98 -8.522 -9.623 1.892 1.00 0.00 N ATOM 1490 CA LEU A 98 -7.254 -8.991 2.238 1.00 0.00 C ATOM 1491 C LEU A 98 -7.462 -7.534 2.637 1.00 0.00 C ATOM 1492 O LEU A 98 -8.492 -6.935 2.326 1.00 0.00 O ATOM 1493 CB LEU A 98 -6.281 -9.075 1.061 1.00 0.00 C ATOM 1494 CG LEU A 98 -5.402 -10.325 1.004 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -4.630 -10.376 -0.306 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -4.448 -10.360 2.189 1.00 0.00 C ATOM 0 H LEU A 98 -9.033 -9.159 1.141 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.832 -9.525 3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.855 -9.017 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.632 -8.200 1.089 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.047 -11.202 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.010 -11.272 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.331 -10.398 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.995 -9.494 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.830 -11.256 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.809 -9.477 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.020 -10.372 3.117 1.00 0.00 H new ATOM 1508 N LYS A 99 -6.477 -6.968 3.327 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.550 -5.579 3.766 1.00 0.00 C ATOM 1510 C LYS A 99 -5.310 -4.805 3.330 1.00 0.00 C ATOM 1511 O LYS A 99 -4.185 -5.287 3.465 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.697 -5.511 5.288 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.302 -4.169 5.878 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.909 -3.965 7.256 1.00 0.00 C ATOM 1515 CE LYS A 99 -6.861 -5.242 8.080 1.00 0.00 C ATOM 1516 NZ LYS A 99 -6.934 -4.962 9.541 1.00 0.00 N ATOM 0 H LYS A 99 -5.619 -7.450 3.594 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.424 -5.123 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.732 -5.725 5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.084 -6.291 5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.216 -4.106 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.628 -3.368 5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.372 -3.173 7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.943 -3.635 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.688 -5.891 7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.940 -5.782 7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.898 -5.858 10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.131 -4.364 9.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.824 -4.469 9.756 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.523 -3.602 2.806 1.00 0.00 N ATOM 1531 CA VAL A 100 -4.423 -2.760 2.353 1.00 0.00 C ATOM 1532 C VAL A 100 -4.084 -1.693 3.388 1.00 0.00 C ATOM 1533 O VAL A 100 -4.957 -1.223 4.117 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.756 -2.073 1.015 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -3.520 -1.400 0.437 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -5.335 -3.078 0.030 1.00 0.00 C ATOM 0 H VAL A 100 -6.448 -3.189 2.685 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.562 -3.414 2.214 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.506 -1.304 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.775 -0.920 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.153 -0.650 1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.745 -2.147 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.565 -2.576 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.609 -3.871 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.247 -3.509 0.443 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.810 -1.316 3.446 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.357 -0.304 4.393 1.00 0.00 C ATOM 1548 C GLU A 101 -1.290 0.589 3.766 1.00 0.00 C ATOM 1549 O GLU A 101 -0.286 0.102 3.245 1.00 0.00 O ATOM 1550 CB GLU A 101 -1.804 -0.968 5.656 1.00 0.00 C ATOM 1551 CG GLU A 101 -2.863 -1.253 6.707 1.00 0.00 C ATOM 1552 CD GLU A 101 -2.293 -1.916 7.946 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -1.448 -2.823 7.797 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -2.690 -1.527 9.064 1.00 0.00 O ATOM 0 H GLU A 101 -2.075 -1.696 2.849 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.213 0.315 4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.316 -1.903 5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.038 -0.324 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.349 -0.319 6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.632 -1.895 6.277 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.515 1.897 3.820 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.574 2.858 3.258 1.00 0.00 C ATOM 1563 C ILE A 102 -0.338 4.021 4.215 1.00 0.00 C ATOM 1564 O ILE A 102 -1.168 4.923 4.330 1.00 0.00 O ATOM 1565 CB ILE A 102 -1.071 3.410 1.909 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.666 2.285 1.060 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.065 4.098 1.167 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -3.150 2.087 1.272 1.00 0.00 C ATOM 0 H ILE A 102 -2.341 2.316 4.247 1.00 0.00 H new ATOM 0 HA ILE A 102 0.364 2.325 3.100 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.852 4.146 2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.483 2.500 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.147 1.354 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.302 4.483 0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.446 4.923 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.866 3.382 0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.503 1.274 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.339 1.840 2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.680 3.004 1.014 1.00 0.00 H new ATOM 1580 N LYS A 103 0.800 3.995 4.900 1.00 0.00 N ATOM 1581 CA LYS A 103 1.149 5.048 5.846 1.00 0.00 C ATOM 1582 C LYS A 103 2.406 5.787 5.398 1.00 0.00 C ATOM 1583 O LYS A 103 3.201 5.263 4.618 1.00 0.00 O ATOM 1584 CB LYS A 103 1.361 4.458 7.242 1.00 0.00 C ATOM 1585 CG LYS A 103 0.157 3.698 7.770 1.00 0.00 C ATOM 1586 CD LYS A 103 0.542 2.760 8.902 1.00 0.00 C ATOM 1587 CE LYS A 103 -0.590 1.803 9.242 1.00 0.00 C ATOM 1588 NZ LYS A 103 -0.231 0.897 10.368 1.00 0.00 N ATOM 0 H LYS A 103 1.497 3.255 4.817 1.00 0.00 H new ATOM 0 HA LYS A 103 0.324 5.759 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 103 2.221 3.788 7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.604 5.264 7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.595 4.405 8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.297 3.126 6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.428 2.191 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.805 3.342 9.785 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.481 2.373 9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.839 1.209 8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.028 0.260 10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.604 0.334 10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.018 1.463 11.214 1.00 0.00 H new ATOM 1602 N PHE A 104 2.581 7.006 5.899 1.00 0.00 N ATOM 1603 CA PHE A 104 3.742 7.816 5.551 1.00 0.00 C ATOM 1604 C PHE A 104 4.283 8.546 6.777 1.00 0.00 C ATOM 1605 O PHE A 104 3.662 9.483 7.278 1.00 0.00 O ATOM 1606 CB PHE A 104 3.377 8.827 4.462 1.00 0.00 C ATOM 1607 CG PHE A 104 4.296 10.014 4.413 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.669 9.841 4.341 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.787 11.302 4.440 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.518 10.931 4.296 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.631 12.396 4.395 1.00 0.00 C ATOM 1612 CZ PHE A 104 5.998 12.210 4.324 1.00 0.00 C ATOM 0 H PHE A 104 1.933 7.454 6.547 1.00 0.00 H new ATOM 0 HA PHE A 104 4.518 7.150 5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.391 8.327 3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.357 9.174 4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.081 8.843 4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.719 11.453 4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.586 10.783 4.239 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.222 13.395 4.415 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.659 13.063 4.290 1.00 0.00 H new ATOM 1622 N GLN A 105 5.443 8.108 7.255 1.00 0.00 N ATOM 1623 CA GLN A 105 6.067 8.719 8.423 1.00 0.00 C ATOM 1624 C GLN A 105 5.056 8.894 9.551 1.00 0.00 C ATOM 1625 O GLN A 105 5.162 9.819 10.355 1.00 0.00 O ATOM 1626 CB GLN A 105 6.676 10.072 8.053 1.00 0.00 C ATOM 1627 CG GLN A 105 7.974 9.962 7.269 1.00 0.00 C ATOM 1628 CD GLN A 105 9.093 9.337 8.079 1.00 0.00 C ATOM 1629 OE1 GLN A 105 9.303 9.685 9.241 1.00 0.00 O ATOM 1630 NE2 GLN A 105 9.819 8.408 7.468 1.00 0.00 N ATOM 0 H GLN A 105 5.970 7.333 6.852 1.00 0.00 H new ATOM 0 HA GLN A 105 6.859 8.055 8.770 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.953 10.638 7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.859 10.640 8.965 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.803 9.366 6.372 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.280 10.955 6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.610 8.150 6.504 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.586 7.952 7.963 1.00 0.00 H new ATOM 1639 N GLY A 106 4.075 7.998 9.604 1.00 0.00 N ATOM 1640 CA GLY A 106 3.059 8.072 10.637 1.00 0.00 C ATOM 1641 C GLY A 106 1.847 8.873 10.203 1.00 0.00 C ATOM 1642 O GLY A 106 1.219 9.550 11.017 1.00 0.00 O ATOM 0 H GLY A 106 3.966 7.223 8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.746 7.063 10.907 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.487 8.523 11.532 1.00 0.00 H new ATOM 1646 N GLN A 107 1.520 8.797 8.917 1.00 0.00 N ATOM 1647 CA GLN A 107 0.377 9.524 8.376 1.00 0.00 C ATOM 1648 C GLN A 107 -0.225 8.784 7.186 1.00 0.00 C ATOM 1649 O GLN A 107 0.441 8.571 6.173 1.00 0.00 O ATOM 1650 CB GLN A 107 0.795 10.934 7.957 1.00 0.00 C ATOM 1651 CG GLN A 107 1.524 11.702 9.047 1.00 0.00 C ATOM 1652 CD GLN A 107 1.938 13.092 8.604 1.00 0.00 C ATOM 1653 OE1 GLN A 107 1.111 13.999 8.512 1.00 0.00 O ATOM 1654 NE2 GLN A 107 3.225 13.266 8.328 1.00 0.00 N ATOM 0 H GLN A 107 2.029 8.240 8.231 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.380 9.594 9.157 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.438 10.868 7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.092 11.494 7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.881 11.781 9.923 1.00 0.00 H new ATOM 0 HG3 GLN A 107 2.409 11.143 9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.876 12.486 8.418 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.563 14.180 8.026 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.489 8.392 7.317 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.181 7.676 6.252 1.00 0.00 C ATOM 1665 C HIS A 108 -2.323 8.552 5.011 1.00 0.00 C ATOM 1666 O HIS A 108 -2.396 9.777 5.108 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.560 7.218 6.728 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.519 6.000 7.598 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -3.686 4.721 7.110 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.327 5.870 8.931 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -3.601 3.857 8.106 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.382 4.529 9.222 1.00 0.00 N ATOM 0 H HIS A 108 -2.054 8.558 8.150 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.586 6.801 5.991 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.034 8.031 7.278 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.186 7.013 5.859 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.161 6.672 9.635 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.695 2.784 8.022 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.272 4.119 10.149 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.361 7.916 3.844 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.495 8.637 2.584 1.00 0.00 C ATOM 1683 C VAL A 109 -3.898 8.481 2.008 1.00 0.00 C ATOM 1684 O VAL A 109 -4.438 9.407 1.404 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.468 8.148 1.545 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.641 8.893 0.231 1.00 0.00 C ATOM 1687 CG2 VAL A 109 -0.053 8.311 2.078 1.00 0.00 C ATOM 0 H VAL A 109 -2.301 6.903 3.745 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.309 9.689 2.800 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.642 7.088 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.907 8.534 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.645 8.719 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.495 9.961 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.660 7.961 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.135 9.363 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.061 7.727 2.991 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.483 7.304 2.200 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.825 7.027 1.702 1.00 0.00 C ATOM 1699 C ALA A 110 -6.761 6.630 2.838 1.00 0.00 C ATOM 1700 O ALA A 110 -6.390 6.685 4.011 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.780 5.933 0.646 1.00 0.00 C ATOM 0 H ALA A 110 -4.049 6.526 2.697 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.213 7.939 1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.789 5.736 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.152 6.255 -0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.367 5.023 1.082 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.978 6.230 2.484 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.968 5.823 3.473 1.00 0.00 C ATOM 1709 C LYS A 111 -8.428 4.701 4.354 1.00 0.00 C ATOM 1710 O LYS A 111 -9.016 4.370 5.384 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.254 5.367 2.780 1.00 0.00 C ATOM 1712 CG LYS A 111 -11.138 6.514 2.322 1.00 0.00 C ATOM 1713 CD LYS A 111 -11.997 7.044 3.458 1.00 0.00 C ATOM 1714 CE LYS A 111 -13.327 6.312 3.539 1.00 0.00 C ATOM 1715 NZ LYS A 111 -14.026 6.571 4.829 1.00 0.00 N ATOM 0 H LYS A 111 -8.302 6.179 1.518 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.188 6.683 4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.994 4.753 1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.820 4.734 3.463 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.517 7.319 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.778 6.178 1.507 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.462 6.935 4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -12.175 8.110 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -13.964 6.624 2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -13.159 5.241 3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.928 6.054 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.429 6.250 5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.209 7.590 4.926 1.00 0.00 H new ATOM 1729 N SER A 112 -7.305 4.121 3.943 1.00 0.00 N ATOM 1730 CA SER A 112 -6.687 3.034 4.695 1.00 0.00 C ATOM 1731 C SER A 112 -6.947 3.191 6.190 1.00 0.00 C ATOM 1732 O SER A 112 -6.996 4.299 6.724 1.00 0.00 O ATOM 1733 CB SER A 112 -5.181 2.994 4.428 1.00 0.00 C ATOM 1734 OG SER A 112 -4.473 2.546 5.571 1.00 0.00 O ATOM 0 H SER A 112 -6.805 4.385 3.094 1.00 0.00 H new ATOM 0 HA SER A 112 -7.133 2.096 4.364 1.00 0.00 H new ATOM 0 HB2 SER A 112 -4.975 2.333 3.586 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.832 3.987 4.146 1.00 0.00 H new ATOM 0 HG SER A 112 -3.897 3.266 5.902 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.117 2.055 6.882 1.00 0.00 N ATOM 1741 CA PRO A 113 -7.060 0.730 6.256 1.00 0.00 C ATOM 1742 C PRO A 113 -8.254 0.469 5.345 1.00 0.00 C ATOM 1743 O PRO A 113 -9.346 0.993 5.569 1.00 0.00 O ATOM 1744 CB PRO A 113 -7.079 -0.227 7.451 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.756 0.535 8.537 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.378 1.976 8.329 1.00 0.00 C ATOM 0 HA PRO A 113 -6.185 0.618 5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.619 -1.144 7.215 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.069 -0.517 7.741 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.837 0.404 8.490 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.435 0.185 9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.181 2.649 8.630 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.498 2.249 8.912 1.00 0.00 H new ATOM 1754 N TYR A 114 -8.041 -0.345 4.317 1.00 0.00 N ATOM 1755 CA TYR A 114 -9.099 -0.675 3.370 1.00 0.00 C ATOM 1756 C TYR A 114 -9.669 -2.062 3.651 1.00 0.00 C ATOM 1757 O TYR A 114 -8.961 -3.065 3.560 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.569 -0.609 1.937 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.602 0.780 1.341 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.792 1.492 1.258 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.445 1.380 0.861 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.828 2.762 0.714 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.471 2.649 0.316 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.665 3.336 0.245 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.696 4.600 -0.298 1.00 0.00 O ATOM 0 H TYR A 114 -7.144 -0.789 4.118 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.898 0.057 3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.543 -0.978 1.921 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.158 -1.278 1.310 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.704 1.046 1.625 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.508 0.845 0.915 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.762 3.302 0.656 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.562 3.101 -0.052 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.614 4.944 -0.275 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.952 -2.109 3.991 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.618 -3.372 4.284 1.00 0.00 C ATOM 1777 C ILE A 115 -12.477 -3.826 3.108 1.00 0.00 C ATOM 1778 O ILE A 115 -13.450 -3.165 2.744 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.503 -3.264 5.540 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.795 -2.445 6.620 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.853 -4.650 6.061 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.497 -3.062 7.092 1.00 0.00 C ATOM 0 H ILE A 115 -11.551 -1.287 4.070 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.834 -4.108 4.464 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.428 -2.754 5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.594 -1.446 6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.464 -2.328 7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.479 -4.558 6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -13.393 -5.202 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.938 -5.185 6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.050 -2.428 7.857 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.694 -4.050 7.509 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.811 -3.154 6.250 1.00 0.00 H new ATOM 1794 N LEU A 116 -12.111 -4.959 2.518 1.00 0.00 N ATOM 1795 CA LEU A 116 -12.849 -5.504 1.384 1.00 0.00 C ATOM 1796 C LEU A 116 -13.325 -6.923 1.675 1.00 0.00 C ATOM 1797 O LEU A 116 -12.525 -7.856 1.746 1.00 0.00 O ATOM 1798 CB LEU A 116 -11.974 -5.495 0.129 1.00 0.00 C ATOM 1799 CG LEU A 116 -11.153 -4.226 -0.108 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -9.975 -4.166 0.851 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -10.673 -4.163 -1.550 1.00 0.00 C ATOM 0 H LEU A 116 -11.308 -5.518 2.806 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.723 -4.875 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.290 -6.342 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.615 -5.656 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.792 -3.363 0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.403 -3.257 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.341 -4.163 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.335 -5.035 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -10.091 -3.254 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.051 -5.032 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.533 -4.158 -2.220 1.00 0.00 H new ATOM 1813 N LYS A 117 -14.634 -7.080 1.841 1.00 0.00 N ATOM 1814 CA LYS A 117 -15.220 -8.385 2.121 1.00 0.00 C ATOM 1815 C LYS A 117 -16.540 -8.560 1.378 1.00 0.00 C ATOM 1816 O LYS A 117 -16.977 -7.669 0.651 1.00 0.00 O ATOM 1817 CB LYS A 117 -15.442 -8.556 3.626 1.00 0.00 C ATOM 1818 CG LYS A 117 -16.508 -7.633 4.191 1.00 0.00 C ATOM 1819 CD LYS A 117 -16.825 -7.969 5.639 1.00 0.00 C ATOM 1820 CE LYS A 117 -15.921 -7.209 6.597 1.00 0.00 C ATOM 1821 NZ LYS A 117 -16.285 -5.767 6.677 1.00 0.00 N ATOM 0 H LYS A 117 -15.310 -6.318 1.786 1.00 0.00 H new ATOM 0 HA LYS A 117 -14.525 -9.149 1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -15.723 -9.589 3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.502 -8.374 4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.169 -6.599 4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.415 -7.712 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -17.867 -7.727 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -16.708 -9.041 5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -15.986 -7.656 7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -14.885 -7.305 6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -15.830 -5.340 7.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -15.962 -5.279 5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -17.317 -5.674 6.761 1.00 0.00 H new