USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 768 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 132 THR OG1 : rot 75:sc= 1.86 USER MOD Set 1.2: B 27 SER OG : rot 10:sc= 1.13 USER MOD Set 2.1: A 74 CYS SG : rot -58:sc= -0.0715 USER MOD Set 2.2: A 78 THR OG1 : rot -36:sc= 2.15 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= 0.823 (180deg=0.399) USER MOD Single : A 63 ASN : amide:sc= 0.959 K(o=0.96,f=-4.5!) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= 1.2 (180deg=0.839) USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= 0.953 (180deg=0.47) USER MOD Single : A 76 MET CE :methyl -132:sc= -3.4 (180deg=-6.53!) USER MOD Single : A 77 GLN : amide:sc= -3.22! C(o=-3.2!,f=-6.4!) USER MOD Single : A 81 HIS : no HE2:sc= -0.322! C(o=-0.32!,f=-5.2!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.33) USER MOD Single : A 92 GLN : amide:sc=-0.00527 K(o=-0.0053,f=-0.92) USER MOD Single : A 93 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.11) USER MOD Single : A 96 HIS : no HD1:sc= -0.425 K(o=-0.43,f=-2.9!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 68:sc= 1.26 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0.22 X(o=0.22,f=0) USER MOD Single : A 110 SER OG : rot -80:sc= 1.2 USER MOD Single : A 114 SER OG : rot 105:sc= 0.485 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -142:sc= -0.124 (180deg=-1.07) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.389 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -12.1! C(o=-12!,f=-14!) USER MOD Single : A 131 CYS SG : rot 148:sc= 0.854 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS : no HD1:sc= -0.0413 X(o=-0.041,f=0.0046) USER MOD Single : A 138 SER OG : rot 84:sc= -0.892 USER MOD Single : B 29 SER OG : rot -44:sc= 0.724 USER MOD Single : B 33 GLN : amide:sc= 0.358 X(o=0.36,f=-0.012) USER MOD Single : B 34 TYR OH : rot 11:sc= 0.614 USER MOD Single : B 36 THR OG1 : rot 180:sc=-0.00082 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -14.596 5.783 -1.361 1.00 0.57 N ATOM 118 CA TYR A 59 -13.309 6.402 -1.098 1.00 0.44 C ATOM 119 C TYR A 59 -12.344 6.056 -2.216 1.00 0.41 C ATOM 120 O TYR A 59 -11.134 6.216 -2.092 1.00 0.42 O ATOM 121 CB TYR A 59 -12.769 5.984 0.273 1.00 0.66 C ATOM 122 CG TYR A 59 -13.579 6.560 1.403 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.817 6.036 1.698 1.00 1.04 C ATOM 124 CD2 TYR A 59 -13.119 7.632 2.155 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.595 6.556 2.716 1.00 1.27 C ATOM 126 CE2 TYR A 59 -13.884 8.162 3.181 1.00 1.30 C ATOM 127 CZ TYR A 59 -15.122 7.620 3.458 1.00 1.34 C ATOM 128 OH TYR A 59 -15.890 8.138 4.478 1.00 1.64 O ATOM 0 HA TYR A 59 -13.429 7.485 -1.071 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.769 4.896 0.346 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.733 6.309 0.368 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -15.189 5.201 1.122 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -12.151 8.059 1.937 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.566 6.133 2.929 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -13.513 8.995 3.761 1.00 1.30 H new ATOM 0 HH TYR A 59 -15.413 8.882 4.902 1.00 1.64 H new ATOM 138 N LYS A 60 -12.924 5.600 -3.319 1.00 0.42 N ATOM 139 CA LYS A 60 -12.182 5.225 -4.516 1.00 0.43 C ATOM 140 C LYS A 60 -11.282 6.370 -4.971 1.00 0.40 C ATOM 141 O LYS A 60 -10.064 6.230 -5.000 1.00 0.41 O ATOM 142 CB LYS A 60 -13.181 4.852 -5.618 1.00 0.52 C ATOM 143 CG LYS A 60 -12.561 4.354 -6.914 1.00 1.16 C ATOM 144 CD LYS A 60 -11.754 3.084 -6.710 1.00 1.35 C ATOM 145 CE LYS A 60 -11.699 2.254 -7.984 1.00 1.75 C ATOM 146 NZ LYS A 60 -11.239 3.044 -9.160 1.00 2.29 N ATOM 0 H LYS A 60 -13.933 5.479 -3.409 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.543 4.369 -4.297 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -13.849 4.081 -5.234 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.795 5.725 -5.840 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -13.349 4.169 -7.645 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -11.917 5.130 -7.329 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -10.742 3.340 -6.396 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -12.197 2.494 -5.908 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -11.028 1.408 -7.834 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -12.688 1.844 -8.190 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -11.441 2.516 -10.033 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -11.739 3.956 -9.183 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -10.215 3.212 -9.086 1.00 2.29 H new ATOM 160 N LEU A 61 -11.897 7.506 -5.293 1.00 0.45 N ATOM 161 CA LEU A 61 -11.168 8.686 -5.755 1.00 0.49 C ATOM 162 C LEU A 61 -10.055 9.069 -4.786 1.00 0.38 C ATOM 163 O LEU A 61 -8.946 9.405 -5.202 1.00 0.41 O ATOM 164 CB LEU A 61 -12.114 9.883 -5.938 1.00 0.62 C ATOM 165 CG LEU A 61 -12.890 10.325 -4.687 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.288 11.787 -4.801 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.132 9.470 -4.479 1.00 0.81 C ATOM 0 H LEU A 61 -12.908 7.635 -5.242 1.00 0.45 H new ATOM 0 HA LEU A 61 -10.724 8.428 -6.717 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.530 10.730 -6.298 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -12.833 9.637 -6.719 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.234 10.196 -3.826 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -13.837 12.085 -3.908 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.393 12.401 -4.899 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -13.920 11.925 -5.678 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.660 9.806 -3.587 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.787 9.563 -5.345 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -13.839 8.427 -4.356 1.00 0.81 H new ATOM 179 N GLU A 62 -10.360 9.037 -3.497 1.00 0.33 N ATOM 180 CA GLU A 62 -9.379 9.347 -2.480 1.00 0.30 C ATOM 181 C GLU A 62 -8.220 8.387 -2.505 1.00 0.26 C ATOM 182 O GLU A 62 -7.093 8.795 -2.726 1.00 0.32 O ATOM 183 CB GLU A 62 -10.027 9.301 -1.127 1.00 0.41 C ATOM 184 CG GLU A 62 -10.781 10.558 -0.826 1.00 0.50 C ATOM 185 CD GLU A 62 -9.903 11.793 -0.846 1.00 1.29 C ATOM 186 OE1 GLU A 62 -9.283 12.101 0.194 1.00 1.51 O ATOM 187 OE2 GLU A 62 -9.836 12.469 -1.895 1.00 2.00 O ATOM 0 H GLU A 62 -11.283 8.798 -3.135 1.00 0.33 H new ATOM 0 HA GLU A 62 -8.994 10.346 -2.686 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.706 8.450 -1.079 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.264 9.144 -0.364 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -11.583 10.677 -1.554 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.250 10.468 0.154 1.00 0.50 H new ATOM 194 N ASN A 63 -8.520 7.110 -2.363 1.00 0.24 N ATOM 195 CA ASN A 63 -7.496 6.095 -2.165 1.00 0.23 C ATOM 196 C ASN A 63 -6.605 5.943 -3.389 1.00 0.21 C ATOM 197 O ASN A 63 -5.453 5.540 -3.267 1.00 0.22 O ATOM 198 CB ASN A 63 -8.135 4.756 -1.797 1.00 0.33 C ATOM 199 CG ASN A 63 -8.845 4.800 -0.455 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.444 5.529 0.449 1.00 2.24 O ATOM 201 ND2 ASN A 63 -9.909 4.022 -0.320 1.00 0.90 N ATOM 0 H ASN A 63 -9.473 6.746 -2.381 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.864 6.423 -1.340 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -8.847 4.472 -2.572 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.366 3.984 -1.772 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.427 4.014 0.559 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.210 3.431 -1.095 1.00 0.90 H new ATOM 208 N GLU A 64 -7.124 6.271 -4.564 1.00 0.23 N ATOM 209 CA GLU A 64 -6.331 6.213 -5.777 1.00 0.29 C ATOM 210 C GLU A 64 -5.250 7.289 -5.778 1.00 0.29 C ATOM 211 O GLU A 64 -4.072 6.994 -5.986 1.00 0.35 O ATOM 212 CB GLU A 64 -7.227 6.358 -7.000 1.00 0.38 C ATOM 213 CG GLU A 64 -8.246 5.244 -7.129 1.00 0.41 C ATOM 214 CD GLU A 64 -8.899 5.202 -8.492 1.00 0.56 C ATOM 215 OE1 GLU A 64 -9.508 6.211 -8.898 1.00 0.69 O ATOM 216 OE2 GLU A 64 -8.824 4.148 -9.159 1.00 0.88 O ATOM 0 H GLU A 64 -8.087 6.578 -4.700 1.00 0.23 H new ATOM 0 HA GLU A 64 -5.838 5.241 -5.815 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -7.748 7.314 -6.949 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -6.607 6.380 -7.896 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -7.759 4.288 -6.935 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.015 5.371 -6.367 1.00 0.41 H new ATOM 223 N LYS A 65 -5.647 8.536 -5.544 1.00 0.27 N ATOM 224 CA LYS A 65 -4.690 9.638 -5.526 1.00 0.30 C ATOM 225 C LYS A 65 -3.901 9.628 -4.233 1.00 0.23 C ATOM 226 O LYS A 65 -2.760 10.058 -4.171 1.00 0.30 O ATOM 227 CB LYS A 65 -5.395 10.963 -5.698 1.00 0.39 C ATOM 228 CG LYS A 65 -6.382 10.938 -6.833 1.00 0.65 C ATOM 229 CD LYS A 65 -6.712 12.331 -7.336 1.00 1.23 C ATOM 230 CE LYS A 65 -5.471 13.035 -7.872 1.00 2.14 C ATOM 231 NZ LYS A 65 -4.746 12.215 -8.886 1.00 2.98 N ATOM 0 H LYS A 65 -6.614 8.808 -5.366 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.001 9.506 -6.360 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -5.913 11.220 -4.774 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -4.657 11.745 -5.878 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -5.976 10.344 -7.652 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.298 10.445 -6.505 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -7.464 12.267 -8.122 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -7.145 12.919 -6.527 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -5.760 13.987 -8.318 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -4.799 13.262 -7.044 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -4.037 12.805 -9.366 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -4.272 11.419 -8.414 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -5.423 11.849 -9.585 1.00 2.98 H new ATOM 245 N LEU A 66 -4.543 9.153 -3.199 1.00 0.16 N ATOM 246 CA LEU A 66 -3.901 8.937 -1.917 1.00 0.15 C ATOM 247 C LEU A 66 -2.732 7.977 -2.055 1.00 0.15 C ATOM 248 O LEU A 66 -1.629 8.238 -1.582 1.00 0.18 O ATOM 249 CB LEU A 66 -4.924 8.341 -0.968 1.00 0.15 C ATOM 250 CG LEU A 66 -5.197 9.154 0.267 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.529 8.745 0.881 1.00 0.24 C ATOM 252 CD2 LEU A 66 -4.044 8.962 1.225 1.00 0.22 C ATOM 0 H LEU A 66 -5.531 8.902 -3.216 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.524 9.887 -1.538 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.861 8.203 -1.508 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.582 7.351 -0.665 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.276 10.213 0.023 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.716 9.340 1.775 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.329 8.912 0.160 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.497 7.689 1.149 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -4.222 9.544 2.129 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.958 7.907 1.484 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -3.120 9.297 0.754 1.00 0.22 H new ATOM 264 N PHE A 67 -3.007 6.850 -2.684 1.00 0.14 N ATOM 265 CA PHE A 67 -2.002 5.840 -2.944 1.00 0.15 C ATOM 266 C PHE A 67 -0.816 6.428 -3.695 1.00 0.17 C ATOM 267 O PHE A 67 0.338 6.123 -3.388 1.00 0.20 O ATOM 268 CB PHE A 67 -2.608 4.694 -3.750 1.00 0.15 C ATOM 269 CG PHE A 67 -1.946 3.387 -3.486 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.831 2.992 -4.197 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.447 2.557 -2.508 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.223 1.781 -3.933 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.851 1.349 -2.235 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.734 0.955 -2.948 1.00 0.19 C ATOM 0 H PHE A 67 -3.936 6.610 -3.029 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.647 5.461 -1.986 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.669 4.612 -3.515 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.534 4.925 -4.813 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.431 3.636 -4.966 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.320 2.859 -1.948 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.649 1.479 -4.494 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.255 0.709 -1.465 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.262 0.007 -2.737 1.00 0.19 H new ATOM 284 N GLU A 68 -1.090 7.283 -4.673 1.00 0.18 N ATOM 285 CA GLU A 68 -0.018 7.876 -5.443 1.00 0.23 C ATOM 286 C GLU A 68 0.736 8.917 -4.616 1.00 0.19 C ATOM 287 O GLU A 68 1.906 9.150 -4.871 1.00 0.24 O ATOM 288 CB GLU A 68 -0.515 8.467 -6.769 1.00 0.40 C ATOM 289 CG GLU A 68 -1.460 9.625 -6.605 1.00 0.54 C ATOM 290 CD GLU A 68 -1.846 10.280 -7.912 1.00 1.13 C ATOM 291 OE1 GLU A 68 -0.967 10.874 -8.572 1.00 1.81 O ATOM 292 OE2 GLU A 68 -3.034 10.202 -8.290 1.00 1.39 O ATOM 0 H GLU A 68 -2.029 7.574 -4.944 1.00 0.18 H new ATOM 0 HA GLU A 68 0.678 7.077 -5.698 1.00 0.23 H new ATOM 0 HB2 GLU A 68 0.345 8.793 -7.355 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -1.012 7.683 -7.341 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.362 9.278 -6.101 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -0.999 10.370 -5.957 1.00 0.54 H new ATOM 299 N GLU A 69 0.098 9.509 -3.592 1.00 0.19 N ATOM 300 CA GLU A 69 0.805 10.457 -2.727 1.00 0.22 C ATOM 301 C GLU A 69 2.027 9.771 -2.131 1.00 0.20 C ATOM 302 O GLU A 69 3.092 10.368 -1.959 1.00 0.28 O ATOM 303 CB GLU A 69 -0.078 10.962 -1.589 1.00 0.26 C ATOM 304 CG GLU A 69 -1.381 11.575 -2.046 1.00 0.34 C ATOM 305 CD GLU A 69 -2.062 12.378 -0.961 1.00 1.02 C ATOM 306 OE1 GLU A 69 -1.586 13.497 -0.670 1.00 1.31 O ATOM 307 OE2 GLU A 69 -3.077 11.910 -0.407 1.00 1.78 O ATOM 0 H GLU A 69 -0.880 9.351 -3.350 1.00 0.19 H new ATOM 0 HA GLU A 69 1.094 11.313 -3.337 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.295 10.132 -0.916 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.477 11.702 -1.013 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.193 12.219 -2.905 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -2.052 10.784 -2.382 1.00 0.34 H new ATOM 314 N PHE A 70 1.838 8.499 -1.831 1.00 0.15 N ATOM 315 CA PHE A 70 2.882 7.643 -1.308 1.00 0.13 C ATOM 316 C PHE A 70 3.871 7.273 -2.408 1.00 0.13 C ATOM 317 O PHE A 70 5.078 7.370 -2.227 1.00 0.14 O ATOM 318 CB PHE A 70 2.224 6.390 -0.740 1.00 0.12 C ATOM 319 CG PHE A 70 3.120 5.544 0.110 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.268 4.988 -0.410 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.785 5.284 1.419 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.072 4.181 0.361 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.586 4.483 2.205 1.00 0.11 C ATOM 324 CZ PHE A 70 4.733 3.927 1.674 1.00 0.11 C ATOM 0 H PHE A 70 0.941 8.027 -1.946 1.00 0.15 H new ATOM 0 HA PHE A 70 3.436 8.163 -0.527 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.358 6.687 -0.148 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.852 5.785 -1.567 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.540 5.188 -1.436 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.885 5.712 1.835 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.967 3.747 -0.061 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.317 4.291 3.233 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.362 3.296 2.284 1.00 0.11 H new ATOM 334 N LEU A 71 3.348 6.858 -3.547 1.00 0.14 N ATOM 335 CA LEU A 71 4.164 6.390 -4.655 1.00 0.15 C ATOM 336 C LEU A 71 5.033 7.474 -5.253 1.00 0.16 C ATOM 337 O LEU A 71 6.192 7.241 -5.583 1.00 0.18 O ATOM 338 CB LEU A 71 3.248 5.835 -5.712 1.00 0.17 C ATOM 339 CG LEU A 71 2.639 4.506 -5.339 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.765 4.017 -6.457 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.743 3.525 -5.032 1.00 0.16 C ATOM 0 H LEU A 71 2.345 6.835 -3.731 1.00 0.14 H new ATOM 0 HA LEU A 71 4.842 5.627 -4.273 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.449 6.552 -5.903 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.805 5.723 -6.642 1.00 0.17 H new ATOM 0 HG LEU A 71 2.016 4.613 -4.451 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.327 3.057 -6.183 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.970 4.740 -6.640 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.363 3.899 -7.361 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.309 2.562 -4.762 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.377 3.404 -5.911 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.342 3.899 -4.202 1.00 0.16 H new ATOM 353 N GLU A 72 4.465 8.645 -5.409 1.00 0.16 N ATOM 354 CA GLU A 72 5.187 9.780 -5.942 1.00 0.19 C ATOM 355 C GLU A 72 6.296 10.172 -4.974 1.00 0.18 C ATOM 356 O GLU A 72 7.353 10.655 -5.376 1.00 0.21 O ATOM 357 CB GLU A 72 4.209 10.910 -6.213 1.00 0.24 C ATOM 358 CG GLU A 72 3.064 10.461 -7.113 1.00 0.29 C ATOM 359 CD GLU A 72 3.439 10.417 -8.575 1.00 0.73 C ATOM 360 OE1 GLU A 72 3.420 11.478 -9.229 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.746 9.321 -9.080 1.00 1.17 O ATOM 0 H GLU A 72 3.492 8.840 -5.172 1.00 0.16 H new ATOM 0 HA GLU A 72 5.664 9.531 -6.890 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.807 11.278 -5.269 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.735 11.742 -6.681 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.731 9.471 -6.800 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.220 11.138 -6.981 1.00 0.29 H new ATOM 368 N LEU A 73 6.038 9.938 -3.693 1.00 0.16 N ATOM 369 CA LEU A 73 7.051 10.048 -2.660 1.00 0.16 C ATOM 370 C LEU A 73 8.060 8.907 -2.784 1.00 0.15 C ATOM 371 O LEU A 73 9.266 9.111 -2.636 1.00 0.18 O ATOM 372 CB LEU A 73 6.372 10.004 -1.291 1.00 0.16 C ATOM 373 CG LEU A 73 7.295 9.743 -0.111 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.524 11.017 0.683 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.705 8.655 0.760 1.00 0.16 C ATOM 0 H LEU A 73 5.119 9.667 -3.345 1.00 0.16 H new ATOM 0 HA LEU A 73 7.585 10.991 -2.773 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.861 10.953 -1.127 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.606 9.229 -1.309 1.00 0.16 H new ATOM 0 HG LEU A 73 8.264 9.409 -0.480 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.187 10.808 1.523 1.00 0.23 H new ATOM 0 HD12 LEU A 73 7.979 11.770 0.040 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.570 11.389 1.058 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.366 8.468 1.606 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.728 8.972 1.126 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.595 7.741 0.176 1.00 0.16 H new ATOM 387 N CYS A 74 7.558 7.708 -3.065 1.00 0.13 N ATOM 388 CA CYS A 74 8.401 6.536 -3.214 1.00 0.13 C ATOM 389 C CYS A 74 9.364 6.724 -4.386 1.00 0.15 C ATOM 390 O CYS A 74 10.521 6.331 -4.310 1.00 0.18 O ATOM 391 CB CYS A 74 7.529 5.294 -3.414 1.00 0.16 C ATOM 392 SG CYS A 74 8.406 3.732 -3.216 1.00 0.50 S ATOM 0 H CYS A 74 6.563 7.527 -3.194 1.00 0.13 H new ATOM 0 HA CYS A 74 8.994 6.400 -2.309 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.703 5.326 -2.703 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.092 5.328 -4.412 1.00 0.16 H new ATOM 0 HG CYS A 74 9.399 3.683 -4.054 1.00 0.50 H new ATOM 398 N LYS A 75 8.883 7.358 -5.457 1.00 0.18 N ATOM 399 CA LYS A 75 9.709 7.696 -6.602 1.00 0.22 C ATOM 400 C LYS A 75 10.929 8.522 -6.207 1.00 0.22 C ATOM 401 O LYS A 75 11.962 8.473 -6.869 1.00 0.26 O ATOM 402 CB LYS A 75 8.898 8.478 -7.613 1.00 0.28 C ATOM 403 CG LYS A 75 8.686 7.677 -8.863 1.00 0.57 C ATOM 404 CD LYS A 75 7.514 6.735 -8.732 1.00 0.61 C ATOM 405 CE LYS A 75 6.186 7.477 -8.736 1.00 0.38 C ATOM 406 NZ LYS A 75 6.011 8.336 -9.938 1.00 0.96 N ATOM 0 H LYS A 75 7.910 7.649 -5.548 1.00 0.18 H new ATOM 0 HA LYS A 75 10.056 6.757 -7.034 1.00 0.22 H new ATOM 0 HB2 LYS A 75 7.934 8.748 -7.181 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.411 9.409 -7.855 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.519 8.351 -9.703 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.588 7.107 -9.087 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.531 6.018 -9.553 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.608 6.165 -7.808 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.371 6.755 -8.689 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.117 8.094 -7.840 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 5.019 8.642 -10.005 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.626 9.171 -9.861 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 6.265 7.797 -10.790 1.00 0.96 H new ATOM 420 N MET A 76 10.798 9.279 -5.125 1.00 0.22 N ATOM 421 CA MET A 76 11.865 10.157 -4.677 1.00 0.26 C ATOM 422 C MET A 76 12.828 9.378 -3.810 1.00 0.25 C ATOM 423 O MET A 76 14.047 9.493 -3.932 1.00 0.32 O ATOM 424 CB MET A 76 11.300 11.317 -3.852 1.00 0.29 C ATOM 425 CG MET A 76 10.120 12.021 -4.484 1.00 0.27 C ATOM 426 SD MET A 76 9.589 13.468 -3.541 1.00 0.32 S ATOM 427 CE MET A 76 9.267 12.728 -1.943 1.00 0.35 C ATOM 0 H MET A 76 9.961 9.301 -4.542 1.00 0.22 H new ATOM 0 HA MET A 76 12.375 10.553 -5.555 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.000 10.939 -2.875 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.093 12.045 -3.682 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.384 12.328 -5.496 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.288 11.322 -4.570 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.296 13.061 -1.577 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.265 11.642 -2.039 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.043 13.029 -1.239 1.00 0.35 H new ATOM 437 N GLN A 77 12.253 8.572 -2.940 1.00 0.21 N ATOM 438 CA GLN A 77 13.009 7.865 -1.933 1.00 0.22 C ATOM 439 C GLN A 77 13.631 6.591 -2.493 1.00 0.21 C ATOM 440 O GLN A 77 14.848 6.415 -2.444 1.00 0.24 O ATOM 441 CB GLN A 77 12.097 7.553 -0.755 1.00 0.23 C ATOM 442 CG GLN A 77 11.501 8.792 -0.097 1.00 0.30 C ATOM 443 CD GLN A 77 11.071 8.530 1.329 1.00 0.52 C ATOM 444 OE1 GLN A 77 11.641 7.679 2.008 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.086 9.272 1.805 1.00 0.48 N ATOM 0 H GLN A 77 11.250 8.391 -2.913 1.00 0.21 H new ATOM 0 HA GLN A 77 13.831 8.499 -1.599 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.287 6.908 -1.095 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.660 6.992 -0.009 1.00 0.23 H new ATOM 0 HG2 GLN A 77 12.235 9.598 -0.111 1.00 0.30 H new ATOM 0 HG3 GLN A 77 10.643 9.132 -0.677 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.638 9.968 1.209 1.00 0.48 H new ATOM 0 HE22 GLN A 77 9.774 9.148 2.768 1.00 0.48 H new ATOM 454 N THR A 78 12.808 5.710 -3.044 1.00 0.18 N ATOM 455 CA THR A 78 13.302 4.489 -3.653 1.00 0.20 C ATOM 456 C THR A 78 13.660 4.758 -5.111 1.00 0.22 C ATOM 457 O THR A 78 13.308 3.995 -6.008 1.00 0.24 O ATOM 458 CB THR A 78 12.258 3.355 -3.566 1.00 0.20 C ATOM 459 OG1 THR A 78 11.124 3.652 -4.390 1.00 0.56 O ATOM 460 CG2 THR A 78 11.796 3.159 -2.132 1.00 0.42 C ATOM 0 H THR A 78 11.795 5.821 -3.080 1.00 0.18 H new ATOM 0 HA THR A 78 14.190 4.167 -3.108 1.00 0.20 H new ATOM 0 HB THR A 78 12.731 2.438 -3.918 1.00 0.20 H new ATOM 0 HG1 THR A 78 10.948 4.616 -4.369 1.00 0.56 H new ATOM 0 HG21 THR A 78 11.061 2.355 -2.093 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.650 2.900 -1.507 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.345 4.081 -1.766 1.00 0.42 H new ATOM 468 N ALA A 79 14.358 5.861 -5.338 1.00 0.25 N ATOM 469 CA ALA A 79 14.709 6.286 -6.682 1.00 0.30 C ATOM 470 C ALA A 79 15.722 5.336 -7.308 1.00 0.34 C ATOM 471 O ALA A 79 15.806 5.217 -8.530 1.00 0.42 O ATOM 472 CB ALA A 79 15.242 7.706 -6.650 1.00 0.32 C ATOM 0 H ALA A 79 14.694 6.481 -4.601 1.00 0.25 H new ATOM 0 HA ALA A 79 13.812 6.263 -7.302 1.00 0.30 H new ATOM 0 HB1 ALA A 79 15.504 8.019 -7.661 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.478 8.372 -6.250 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.128 7.748 -6.016 1.00 0.32 H new ATOM 478 N ASP A 80 16.486 4.655 -6.463 1.00 0.35 N ATOM 479 CA ASP A 80 17.441 3.658 -6.935 1.00 0.44 C ATOM 480 C ASP A 80 16.793 2.277 -6.953 1.00 0.38 C ATOM 481 O ASP A 80 17.419 1.287 -7.328 1.00 0.44 O ATOM 482 CB ASP A 80 18.697 3.636 -6.056 1.00 0.59 C ATOM 483 CG ASP A 80 18.465 2.968 -4.715 1.00 1.31 C ATOM 484 OD1 ASP A 80 17.795 3.574 -3.851 1.00 2.29 O ATOM 485 OD2 ASP A 80 18.963 1.842 -4.512 1.00 1.68 O ATOM 0 H ASP A 80 16.464 4.774 -5.450 1.00 0.35 H new ATOM 0 HA ASP A 80 17.739 3.928 -7.948 1.00 0.44 H new ATOM 0 HB2 ASP A 80 19.495 3.113 -6.584 1.00 0.59 H new ATOM 0 HB3 ASP A 80 19.039 4.658 -5.893 1.00 0.59 H new ATOM 490 N HIS A 81 15.529 2.219 -6.550 1.00 0.35 N ATOM 491 CA HIS A 81 14.779 0.972 -6.554 1.00 0.39 C ATOM 492 C HIS A 81 13.377 1.180 -7.113 1.00 0.34 C ATOM 493 O HIS A 81 12.399 1.259 -6.367 1.00 0.30 O ATOM 494 CB HIS A 81 14.701 0.362 -5.152 1.00 0.49 C ATOM 495 CG HIS A 81 15.808 -0.601 -4.869 1.00 0.86 C ATOM 496 ND1 HIS A 81 15.943 -1.796 -5.539 1.00 2.02 N ATOM 497 CD2 HIS A 81 16.836 -0.546 -3.991 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.001 -2.436 -5.088 1.00 2.11 C ATOM 499 NE2 HIS A 81 17.564 -1.701 -4.148 1.00 1.12 N ATOM 0 H HIS A 81 15.002 3.025 -6.215 1.00 0.35 H new ATOM 0 HA HIS A 81 15.313 0.275 -7.200 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.726 1.162 -4.412 1.00 0.49 H new ATOM 0 HB3 HIS A 81 13.745 -0.149 -5.037 1.00 0.49 H new ATOM 0 HD1 HIS A 81 15.319 -2.133 -6.272 1.00 2.02 H new ATOM 0 HD2 HIS A 81 17.045 0.255 -3.297 1.00 0.60 H new ATOM 0 HE1 HIS A 81 17.349 -3.400 -5.430 1.00 2.11 H new ATOM 508 N PRO A 82 13.267 1.266 -8.444 1.00 0.39 N ATOM 509 CA PRO A 82 11.992 1.460 -9.130 1.00 0.39 C ATOM 510 C PRO A 82 11.139 0.193 -9.188 1.00 0.35 C ATOM 511 O PRO A 82 10.276 0.066 -10.052 1.00 0.39 O ATOM 512 CB PRO A 82 12.428 1.875 -10.532 1.00 0.50 C ATOM 513 CG PRO A 82 13.720 1.180 -10.736 1.00 0.53 C ATOM 514 CD PRO A 82 14.392 1.198 -9.396 1.00 0.48 C ATOM 0 HA PRO A 82 11.360 2.186 -8.617 1.00 0.39 H new ATOM 0 HB2 PRO A 82 11.694 1.577 -11.281 1.00 0.50 H new ATOM 0 HB3 PRO A 82 12.542 2.956 -10.609 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.567 0.159 -11.086 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.326 1.687 -11.487 1.00 0.53 H new ATOM 0 HD2 PRO A 82 14.997 0.305 -9.239 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.057 2.055 -9.293 1.00 0.48 H new ATOM 522 N GLU A 83 11.392 -0.753 -8.290 1.00 0.29 N ATOM 523 CA GLU A 83 10.546 -1.934 -8.180 1.00 0.26 C ATOM 524 C GLU A 83 9.407 -1.678 -7.194 1.00 0.19 C ATOM 525 O GLU A 83 8.298 -2.182 -7.369 1.00 0.22 O ATOM 526 CB GLU A 83 11.342 -3.162 -7.724 1.00 0.33 C ATOM 527 CG GLU A 83 12.626 -3.402 -8.498 1.00 0.49 C ATOM 528 CD GLU A 83 13.846 -2.916 -7.745 1.00 1.32 C ATOM 529 OE1 GLU A 83 13.866 -1.741 -7.346 1.00 2.05 O ATOM 530 OE2 GLU A 83 14.788 -3.707 -7.540 1.00 1.72 O ATOM 0 H GLU A 83 12.171 -0.725 -7.632 1.00 0.29 H new ATOM 0 HA GLU A 83 10.141 -2.136 -9.171 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.585 -3.050 -6.667 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.708 -4.044 -7.814 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.730 -4.467 -8.706 1.00 0.49 H new ATOM 0 HG3 GLU A 83 12.569 -2.894 -9.460 1.00 0.49 H new ATOM 537 N VAL A 84 9.701 -0.887 -6.162 1.00 0.15 N ATOM 538 CA VAL A 84 8.763 -0.616 -5.071 1.00 0.11 C ATOM 539 C VAL A 84 7.439 -0.023 -5.563 1.00 0.11 C ATOM 540 O VAL A 84 6.364 -0.566 -5.311 1.00 0.13 O ATOM 541 CB VAL A 84 9.370 0.398 -4.090 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.516 0.476 -2.853 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.813 0.061 -3.743 1.00 0.14 C ATOM 0 H VAL A 84 10.599 -0.414 -6.058 1.00 0.15 H new ATOM 0 HA VAL A 84 8.572 -1.577 -4.594 1.00 0.11 H new ATOM 0 HB VAL A 84 9.387 1.375 -4.574 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.948 1.196 -2.158 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.509 0.793 -3.125 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.472 -0.505 -2.379 1.00 0.13 H new ATOM 0 HG21 VAL A 84 11.203 0.804 -3.047 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.855 -0.926 -3.282 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.416 0.063 -4.651 1.00 0.14 H new ATOM 553 N VAL A 85 7.547 1.100 -6.256 1.00 0.11 N ATOM 554 CA VAL A 85 6.390 1.841 -6.763 1.00 0.13 C ATOM 555 C VAL A 85 5.493 0.970 -7.652 1.00 0.15 C ATOM 556 O VAL A 85 4.303 0.835 -7.370 1.00 0.16 O ATOM 557 CB VAL A 85 6.854 3.102 -7.527 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.686 4.000 -7.883 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.875 3.857 -6.703 1.00 0.15 C ATOM 0 H VAL A 85 8.443 1.530 -6.487 1.00 0.11 H new ATOM 0 HA VAL A 85 5.793 2.146 -5.904 1.00 0.13 H new ATOM 0 HB VAL A 85 7.315 2.782 -8.461 1.00 0.15 H new ATOM 0 HG11 VAL A 85 6.051 4.876 -8.419 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.986 3.453 -8.515 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.180 4.317 -6.971 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.198 4.744 -7.247 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.428 4.156 -5.755 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.735 3.215 -6.513 1.00 0.15 H new ATOM 569 N PRO A 86 6.032 0.362 -8.734 1.00 0.17 N ATOM 570 CA PRO A 86 5.260 -0.558 -9.581 1.00 0.20 C ATOM 571 C PRO A 86 4.688 -1.732 -8.791 1.00 0.18 C ATOM 572 O PRO A 86 3.617 -2.237 -9.113 1.00 0.20 O ATOM 573 CB PRO A 86 6.280 -1.061 -10.602 1.00 0.23 C ATOM 574 CG PRO A 86 7.341 -0.023 -10.628 1.00 0.22 C ATOM 575 CD PRO A 86 7.407 0.535 -9.236 1.00 0.17 C ATOM 0 HA PRO A 86 4.399 -0.061 -10.029 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.684 -2.031 -10.312 1.00 0.23 H new ATOM 0 HB3 PRO A 86 5.826 -1.186 -11.585 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.299 -0.451 -10.923 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.105 0.758 -11.351 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.130 -0.002 -8.622 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.706 1.583 -9.237 1.00 0.17 H new ATOM 583 N PHE A 87 5.409 -2.163 -7.760 1.00 0.16 N ATOM 584 CA PHE A 87 4.937 -3.237 -6.891 1.00 0.15 C ATOM 585 C PHE A 87 3.661 -2.801 -6.181 1.00 0.14 C ATOM 586 O PHE A 87 2.638 -3.488 -6.242 1.00 0.16 O ATOM 587 CB PHE A 87 6.018 -3.601 -5.865 1.00 0.17 C ATOM 588 CG PHE A 87 5.716 -4.810 -5.020 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.504 -5.473 -5.115 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.658 -5.280 -4.128 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.239 -6.575 -4.338 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.400 -6.383 -3.346 1.00 0.25 C ATOM 593 CZ PHE A 87 5.189 -7.030 -3.452 1.00 0.38 C ATOM 0 H PHE A 87 6.322 -1.785 -7.506 1.00 0.16 H new ATOM 0 HA PHE A 87 4.723 -4.118 -7.497 1.00 0.15 H new ATOM 0 HB2 PHE A 87 6.956 -3.772 -6.394 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.174 -2.747 -5.206 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.757 -5.119 -5.810 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.609 -4.776 -4.042 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.289 -7.082 -4.422 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.146 -6.740 -2.651 1.00 0.25 H new ATOM 0 HZ PHE A 87 4.984 -7.895 -2.839 1.00 0.38 H new ATOM 603 N LEU A 88 3.723 -1.653 -5.521 1.00 0.12 N ATOM 604 CA LEU A 88 2.564 -1.121 -4.820 1.00 0.13 C ATOM 605 C LEU A 88 1.401 -0.928 -5.779 1.00 0.14 C ATOM 606 O LEU A 88 0.253 -1.233 -5.448 1.00 0.16 O ATOM 607 CB LEU A 88 2.909 0.195 -4.129 1.00 0.13 C ATOM 608 CG LEU A 88 3.924 0.082 -2.999 1.00 0.12 C ATOM 609 CD1 LEU A 88 3.917 1.358 -2.171 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.622 -1.139 -2.140 1.00 0.20 C ATOM 0 H LEU A 88 4.560 -1.074 -5.457 1.00 0.12 H new ATOM 0 HA LEU A 88 2.267 -1.841 -4.058 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.294 0.890 -4.875 1.00 0.13 H new ATOM 0 HB3 LEU A 88 1.992 0.631 -3.732 1.00 0.13 H new ATOM 0 HG LEU A 88 4.921 -0.046 -3.419 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.645 1.272 -1.364 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.177 2.205 -2.806 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.924 1.513 -1.749 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.355 -1.208 -1.336 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.623 -1.046 -1.714 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.672 -2.038 -2.755 1.00 0.20 H new ATOM 622 N TYR A 89 1.710 -0.445 -6.976 1.00 0.16 N ATOM 623 CA TYR A 89 0.710 -0.329 -8.033 1.00 0.20 C ATOM 624 C TYR A 89 0.097 -1.692 -8.321 1.00 0.21 C ATOM 625 O TYR A 89 -1.122 -1.861 -8.326 1.00 0.25 O ATOM 626 CB TYR A 89 1.336 0.192 -9.333 1.00 0.22 C ATOM 627 CG TYR A 89 1.345 1.692 -9.493 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.161 2.394 -9.673 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.537 2.402 -9.489 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.166 3.766 -9.838 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.551 3.772 -9.656 1.00 0.37 C ATOM 632 CZ TYR A 89 1.363 4.450 -9.830 1.00 0.43 C ATOM 633 OH TYR A 89 1.370 5.817 -9.994 1.00 0.54 O ATOM 0 H TYR A 89 2.643 -0.128 -7.240 1.00 0.16 H new ATOM 0 HA TYR A 89 -0.051 0.371 -7.689 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.363 -0.168 -9.391 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.797 -0.243 -10.175 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.778 1.860 -9.684 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.469 1.874 -9.353 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.763 4.300 -9.973 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.487 4.310 -9.650 1.00 0.37 H new ATOM 0 HH TYR A 89 2.293 6.146 -9.963 1.00 0.54 H new ATOM 643 N ASN A 90 0.978 -2.660 -8.526 1.00 0.19 N ATOM 644 CA ASN A 90 0.604 -3.997 -8.944 1.00 0.23 C ATOM 645 C ASN A 90 -0.315 -4.656 -7.926 1.00 0.22 C ATOM 646 O ASN A 90 -1.379 -5.167 -8.278 1.00 0.27 O ATOM 647 CB ASN A 90 1.861 -4.839 -9.131 1.00 0.27 C ATOM 648 CG ASN A 90 1.599 -6.099 -9.921 1.00 0.48 C ATOM 649 OD1 ASN A 90 1.740 -6.123 -11.142 1.00 1.33 O ATOM 650 ND2 ASN A 90 1.212 -7.154 -9.232 1.00 0.67 N ATOM 0 H ASN A 90 1.983 -2.535 -8.405 1.00 0.19 H new ATOM 0 HA ASN A 90 0.063 -3.925 -9.888 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.620 -4.245 -9.641 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.266 -5.104 -8.154 1.00 0.27 H new ATOM 0 HD21 ASN A 90 1.017 -8.033 -9.712 1.00 0.67 H new ATOM 0 HD22 ASN A 90 1.107 -7.091 -8.219 1.00 0.67 H new ATOM 657 N ARG A 91 0.094 -4.625 -6.665 1.00 0.19 N ATOM 658 CA ARG A 91 -0.676 -5.234 -5.585 1.00 0.20 C ATOM 659 C ARG A 91 -2.047 -4.573 -5.460 1.00 0.20 C ATOM 660 O ARG A 91 -3.042 -5.245 -5.201 1.00 0.22 O ATOM 661 CB ARG A 91 0.096 -5.133 -4.262 1.00 0.22 C ATOM 662 CG ARG A 91 -0.702 -5.543 -3.027 1.00 0.26 C ATOM 663 CD ARG A 91 -0.978 -7.036 -2.959 1.00 0.36 C ATOM 664 NE ARG A 91 0.261 -7.806 -2.824 1.00 0.80 N ATOM 665 CZ ARG A 91 0.442 -9.036 -3.298 1.00 0.73 C ATOM 666 NH1 ARG A 91 -0.501 -9.621 -4.024 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.577 -9.682 -3.047 1.00 1.25 N ATOM 0 H ARG A 91 0.961 -4.181 -6.362 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.829 -6.288 -5.819 1.00 0.20 H new ATOM 0 HB2 ARG A 91 0.986 -5.759 -4.327 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.437 -4.106 -4.133 1.00 0.22 H new ATOM 0 HG2 ARG A 91 -0.156 -5.240 -2.133 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.650 -5.004 -3.020 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.633 -7.248 -2.114 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.507 -7.351 -3.859 1.00 0.36 H new ATOM 0 HE ARG A 91 1.040 -7.368 -2.332 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -1.372 -9.128 -4.222 1.00 1.38 H new ATOM 0 HH12 ARG A 91 -0.356 -10.564 -4.384 1.00 1.38 H new ATOM 0 HH21 ARG A 91 2.307 -9.234 -2.492 1.00 1.25 H new ATOM 0 HH22 ARG A 91 1.718 -10.625 -3.409 1.00 1.25 H new ATOM 681 N GLN A 92 -2.094 -3.259 -5.668 1.00 0.19 N ATOM 682 CA GLN A 92 -3.350 -2.517 -5.595 1.00 0.21 C ATOM 683 C GLN A 92 -4.294 -2.961 -6.706 1.00 0.24 C ATOM 684 O GLN A 92 -5.506 -3.035 -6.519 1.00 0.26 O ATOM 685 CB GLN A 92 -3.096 -1.012 -5.705 1.00 0.23 C ATOM 686 CG GLN A 92 -4.346 -0.168 -5.496 1.00 0.34 C ATOM 687 CD GLN A 92 -4.120 1.303 -5.793 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.306 1.659 -6.642 1.00 0.71 O ATOM 689 NE2 GLN A 92 -4.842 2.167 -5.094 1.00 0.78 N ATOM 0 H GLN A 92 -1.278 -2.687 -5.888 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.811 -2.726 -4.630 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.345 -0.724 -4.969 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.679 -0.793 -6.688 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.144 -0.545 -6.136 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.685 -0.278 -4.466 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -5.507 1.830 -4.398 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -4.732 3.169 -5.252 1.00 0.78 H new ATOM 698 N GLN A 93 -3.720 -3.269 -7.859 1.00 0.26 N ATOM 699 CA GLN A 93 -4.499 -3.686 -9.018 1.00 0.32 C ATOM 700 C GLN A 93 -5.179 -5.021 -8.757 1.00 0.34 C ATOM 701 O GLN A 93 -6.308 -5.251 -9.182 1.00 0.40 O ATOM 702 CB GLN A 93 -3.607 -3.803 -10.258 1.00 0.36 C ATOM 703 CG GLN A 93 -2.886 -2.524 -10.631 1.00 0.38 C ATOM 704 CD GLN A 93 -3.824 -1.360 -10.801 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.336 -1.102 -11.890 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.056 -0.652 -9.718 1.00 0.57 N ATOM 0 H GLN A 93 -2.713 -3.238 -8.019 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.260 -2.927 -9.197 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.868 -4.586 -10.087 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.219 -4.121 -11.102 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.153 -2.286 -9.860 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.334 -2.679 -11.558 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.608 -0.905 -8.837 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.684 0.151 -9.758 1.00 0.57 H new ATOM 715 N ARG A 94 -4.483 -5.898 -8.045 1.00 0.33 N ATOM 716 CA ARG A 94 -5.007 -7.222 -7.755 1.00 0.38 C ATOM 717 C ARG A 94 -5.613 -7.278 -6.361 1.00 0.32 C ATOM 718 O ARG A 94 -5.947 -8.353 -5.859 1.00 0.46 O ATOM 719 CB ARG A 94 -3.925 -8.291 -7.922 1.00 0.47 C ATOM 720 CG ARG A 94 -3.492 -8.478 -9.362 1.00 0.70 C ATOM 721 CD ARG A 94 -2.401 -7.508 -9.761 1.00 0.95 C ATOM 722 NE ARG A 94 -2.002 -7.669 -11.157 1.00 1.67 N ATOM 723 CZ ARG A 94 -1.385 -6.723 -11.864 1.00 2.40 C ATOM 724 NH1 ARG A 94 -1.158 -5.532 -11.326 1.00 2.73 N ATOM 725 NH2 ARG A 94 -1.015 -6.961 -13.113 1.00 3.24 N ATOM 0 H ARG A 94 -3.557 -5.715 -7.659 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.799 -7.430 -8.474 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -3.058 -8.019 -7.320 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -4.297 -9.240 -7.534 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -3.138 -9.499 -9.503 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -4.352 -8.345 -10.018 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -2.748 -6.487 -9.600 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -1.533 -7.655 -9.118 1.00 0.95 H new ATOM 0 HE ARG A 94 -2.207 -8.556 -11.617 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -1.456 -5.339 -10.370 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -0.686 -4.809 -11.869 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -1.202 -7.870 -13.536 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -0.543 -6.235 -13.652 1.00 3.24 H new ATOM 739 N ALA A 95 -5.730 -6.122 -5.729 1.00 0.28 N ATOM 740 CA ALA A 95 -6.479 -6.000 -4.498 1.00 0.25 C ATOM 741 C ALA A 95 -7.942 -5.754 -4.842 1.00 0.26 C ATOM 742 O ALA A 95 -8.246 -5.051 -5.807 1.00 0.36 O ATOM 743 CB ALA A 95 -5.907 -4.871 -3.649 1.00 0.25 C ATOM 0 H ALA A 95 -5.311 -5.251 -6.054 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.403 -6.918 -3.915 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.477 -4.787 -2.724 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.864 -5.085 -3.414 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.970 -3.933 -4.201 1.00 0.25 H new ATOM 749 N HIS A 96 -8.835 -6.373 -4.083 1.00 0.29 N ATOM 750 CA HIS A 96 -10.267 -6.266 -4.330 1.00 0.29 C ATOM 751 C HIS A 96 -10.712 -4.808 -4.284 1.00 0.27 C ATOM 752 O HIS A 96 -10.461 -4.100 -3.306 1.00 0.29 O ATOM 753 CB HIS A 96 -11.042 -7.087 -3.303 1.00 0.33 C ATOM 754 CG HIS A 96 -12.420 -7.460 -3.749 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.499 -6.649 -3.508 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.833 -8.568 -4.405 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.542 -7.279 -4.019 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.189 -8.449 -4.573 1.00 0.50 N ATOM 0 H HIS A 96 -8.591 -6.959 -3.285 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.476 -6.659 -5.325 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.483 -7.996 -3.081 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.111 -6.520 -2.375 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.214 -9.389 -4.734 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.553 -6.899 -3.994 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.808 -9.119 -5.030 1.00 0.50 H new ATOM 766 N SER A 97 -11.381 -4.387 -5.347 1.00 0.32 N ATOM 767 CA SER A 97 -11.747 -2.986 -5.554 1.00 0.37 C ATOM 768 C SER A 97 -12.608 -2.405 -4.425 1.00 0.33 C ATOM 769 O SER A 97 -12.685 -1.185 -4.274 1.00 0.39 O ATOM 770 CB SER A 97 -12.489 -2.847 -6.883 1.00 0.48 C ATOM 771 OG SER A 97 -11.782 -3.485 -7.931 1.00 1.46 O ATOM 0 H SER A 97 -11.689 -5.007 -6.096 1.00 0.32 H new ATOM 0 HA SER A 97 -10.818 -2.416 -5.563 1.00 0.37 H new ATOM 0 HB2 SER A 97 -13.485 -3.282 -6.794 1.00 0.48 H new ATOM 0 HB3 SER A 97 -12.622 -1.791 -7.120 1.00 0.48 H new ATOM 0 HG SER A 97 -12.278 -3.383 -8.770 1.00 1.46 H new ATOM 777 N LEU A 98 -13.241 -3.259 -3.626 1.00 0.29 N ATOM 778 CA LEU A 98 -14.152 -2.782 -2.598 1.00 0.32 C ATOM 779 C LEU A 98 -13.400 -2.109 -1.463 1.00 0.35 C ATOM 780 O LEU A 98 -13.701 -0.974 -1.100 1.00 0.43 O ATOM 781 CB LEU A 98 -15.002 -3.927 -2.063 1.00 0.35 C ATOM 782 CG LEU A 98 -16.113 -4.397 -3.001 1.00 0.40 C ATOM 783 CD1 LEU A 98 -16.963 -5.455 -2.317 1.00 0.70 C ATOM 784 CD2 LEU A 98 -16.972 -3.222 -3.445 1.00 0.67 C ATOM 0 H LEU A 98 -13.140 -4.273 -3.671 1.00 0.29 H new ATOM 0 HA LEU A 98 -14.808 -2.041 -3.054 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.350 -4.772 -1.844 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.450 -3.617 -1.119 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.657 -4.838 -3.888 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.751 -5.782 -2.995 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.338 -6.307 -2.049 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.410 -5.036 -1.416 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.757 -3.577 -4.112 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.423 -2.751 -2.572 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.351 -2.495 -3.969 1.00 0.67 H new ATOM 796 N PHE A 99 -12.413 -2.806 -0.920 1.00 0.32 N ATOM 797 CA PHE A 99 -11.595 -2.270 0.161 1.00 0.34 C ATOM 798 C PHE A 99 -10.889 -0.994 -0.287 1.00 0.34 C ATOM 799 O PHE A 99 -10.800 -0.018 0.462 1.00 0.39 O ATOM 800 CB PHE A 99 -10.576 -3.317 0.610 1.00 0.36 C ATOM 801 CG PHE A 99 -9.611 -2.833 1.655 1.00 0.31 C ATOM 802 CD1 PHE A 99 -10.055 -2.481 2.918 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.256 -2.733 1.371 1.00 0.38 C ATOM 804 CE1 PHE A 99 -9.168 -2.039 3.880 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.367 -2.293 2.329 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.823 -1.946 3.586 1.00 0.58 C ATOM 0 H PHE A 99 -12.157 -3.749 -1.211 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.241 -2.024 1.004 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.111 -4.183 0.999 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.012 -3.655 -0.260 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.107 -2.553 3.154 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -7.894 -3.003 0.390 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.527 -1.766 4.862 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.315 -2.220 2.097 1.00 0.49 H new ATOM 0 HZ PHE A 99 -7.128 -1.602 4.338 1.00 0.58 H new ATOM 816 N LEU A 100 -10.415 -1.005 -1.528 1.00 0.31 N ATOM 817 CA LEU A 100 -9.738 0.148 -2.113 1.00 0.36 C ATOM 818 C LEU A 100 -10.688 1.337 -2.262 1.00 0.45 C ATOM 819 O LEU A 100 -10.256 2.466 -2.461 1.00 0.79 O ATOM 820 CB LEU A 100 -9.179 -0.225 -3.479 1.00 0.37 C ATOM 821 CG LEU A 100 -8.505 -1.591 -3.541 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.069 -1.886 -4.961 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.326 -1.658 -2.583 1.00 0.70 C ATOM 0 H LEU A 100 -10.488 -1.807 -2.154 1.00 0.31 H new ATOM 0 HA LEU A 100 -8.928 0.438 -1.443 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -9.990 -0.202 -4.207 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.458 0.535 -3.781 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.223 -2.351 -3.232 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.588 -2.863 -4.998 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -8.940 -1.885 -5.617 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.365 -1.122 -5.291 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.862 -2.642 -2.646 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.596 -0.895 -2.851 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.674 -1.485 -1.565 1.00 0.70 H new ATOM 835 N ALA A 101 -11.983 1.072 -2.199 1.00 0.28 N ATOM 836 CA ALA A 101 -12.986 2.127 -2.289 1.00 0.33 C ATOM 837 C ALA A 101 -13.674 2.357 -0.944 1.00 0.36 C ATOM 838 O ALA A 101 -14.727 2.992 -0.870 1.00 0.57 O ATOM 839 CB ALA A 101 -14.008 1.779 -3.357 1.00 0.36 C ATOM 0 H ALA A 101 -12.367 0.134 -2.086 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.483 3.054 -2.565 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.754 2.571 -3.419 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.507 1.676 -4.320 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.497 0.839 -3.100 1.00 0.36 H new ATOM 845 N SER A 102 -13.052 1.871 0.117 1.00 0.34 N ATOM 846 CA SER A 102 -13.627 1.937 1.449 1.00 0.36 C ATOM 847 C SER A 102 -12.830 2.886 2.332 1.00 0.36 C ATOM 848 O SER A 102 -11.656 3.165 2.076 1.00 0.46 O ATOM 849 CB SER A 102 -13.656 0.541 2.072 1.00 0.40 C ATOM 850 OG SER A 102 -14.521 -0.322 1.354 1.00 1.39 O ATOM 0 H SER A 102 -12.137 1.421 0.079 1.00 0.34 H new ATOM 0 HA SER A 102 -14.646 2.316 1.369 1.00 0.36 H new ATOM 0 HB2 SER A 102 -12.649 0.124 2.083 1.00 0.40 H new ATOM 0 HB3 SER A 102 -13.985 0.609 3.109 1.00 0.40 H new ATOM 0 HG SER A 102 -14.141 -0.504 0.469 1.00 1.39 H new ATOM 856 N ALA A 103 -13.492 3.373 3.376 1.00 0.35 N ATOM 857 CA ALA A 103 -12.916 4.352 4.286 1.00 0.36 C ATOM 858 C ALA A 103 -11.775 3.765 5.089 1.00 0.29 C ATOM 859 O ALA A 103 -10.892 4.488 5.544 1.00 0.30 O ATOM 860 CB ALA A 103 -13.982 4.872 5.225 1.00 0.44 C ATOM 0 H ALA A 103 -14.445 3.098 3.614 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.520 5.171 3.685 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.544 5.604 5.903 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.777 5.343 4.647 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.394 4.044 5.802 1.00 0.44 H new ATOM 866 N GLU A 104 -11.794 2.456 5.266 1.00 0.29 N ATOM 867 CA GLU A 104 -10.768 1.802 6.051 1.00 0.30 C ATOM 868 C GLU A 104 -9.409 1.966 5.380 1.00 0.26 C ATOM 869 O GLU A 104 -8.428 2.335 6.023 1.00 0.30 O ATOM 870 CB GLU A 104 -11.094 0.323 6.259 1.00 0.39 C ATOM 871 CG GLU A 104 -10.057 -0.398 7.102 1.00 0.49 C ATOM 872 CD GLU A 104 -10.532 -1.747 7.595 1.00 1.02 C ATOM 873 OE1 GLU A 104 -11.285 -1.784 8.593 1.00 1.15 O ATOM 874 OE2 GLU A 104 -10.144 -2.775 7.007 1.00 1.81 O ATOM 0 H GLU A 104 -12.502 1.832 4.880 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.733 2.275 7.032 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -12.069 0.235 6.738 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.170 -0.167 5.288 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -9.148 -0.531 6.515 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.796 0.224 7.958 1.00 0.49 H new ATOM 881 N PHE A 105 -9.376 1.742 4.073 1.00 0.22 N ATOM 882 CA PHE A 105 -8.148 1.872 3.302 1.00 0.20 C ATOM 883 C PHE A 105 -7.679 3.328 3.294 1.00 0.19 C ATOM 884 O PHE A 105 -6.483 3.604 3.194 1.00 0.16 O ATOM 885 CB PHE A 105 -8.371 1.361 1.876 1.00 0.21 C ATOM 886 CG PHE A 105 -7.107 1.235 1.078 1.00 0.18 C ATOM 887 CD1 PHE A 105 -6.006 0.591 1.612 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.020 1.756 -0.202 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.838 0.473 0.890 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.854 1.640 -0.933 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.762 0.998 -0.385 1.00 0.16 C ATOM 0 H PHE A 105 -10.190 1.468 3.523 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.369 1.268 3.767 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.861 0.388 1.920 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.051 2.038 1.359 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.062 0.175 2.607 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.873 2.258 -0.633 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.984 -0.029 1.320 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.797 2.050 -1.930 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.848 0.906 -0.953 1.00 0.16 H new ATOM 901 N CYS A 106 -8.627 4.249 3.432 1.00 0.27 N ATOM 902 CA CYS A 106 -8.308 5.668 3.511 1.00 0.27 C ATOM 903 C CYS A 106 -7.482 5.948 4.763 1.00 0.27 C ATOM 904 O CYS A 106 -6.529 6.729 4.730 1.00 0.28 O ATOM 905 CB CYS A 106 -9.591 6.506 3.516 1.00 0.29 C ATOM 906 SG CYS A 106 -9.314 8.293 3.524 1.00 0.59 S ATOM 0 H CYS A 106 -9.623 4.037 3.491 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.722 5.946 2.635 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.184 6.246 2.639 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.182 6.238 4.392 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.459 8.910 3.526 1.00 0.59 H new ATOM 912 N ASN A 107 -7.848 5.293 5.863 1.00 0.28 N ATOM 913 CA ASN A 107 -7.071 5.370 7.101 1.00 0.30 C ATOM 914 C ASN A 107 -5.670 4.860 6.861 1.00 0.24 C ATOM 915 O ASN A 107 -4.697 5.545 7.147 1.00 0.23 O ATOM 916 CB ASN A 107 -7.704 4.534 8.209 1.00 0.37 C ATOM 917 CG ASN A 107 -8.952 5.165 8.801 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.878 5.931 9.762 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.107 4.843 8.240 1.00 0.64 N ATOM 0 H ASN A 107 -8.678 4.703 5.923 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.051 6.415 7.411 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -7.956 3.550 7.813 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.972 4.381 9.002 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.977 5.233 8.603 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.127 4.205 7.445 1.00 0.64 H new ATOM 926 N ILE A 108 -5.591 3.660 6.309 1.00 0.21 N ATOM 927 CA ILE A 108 -4.318 3.024 6.009 1.00 0.17 C ATOM 928 C ILE A 108 -3.423 3.956 5.205 1.00 0.12 C ATOM 929 O ILE A 108 -2.294 4.237 5.596 1.00 0.12 O ATOM 930 CB ILE A 108 -4.547 1.715 5.223 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.727 0.534 6.173 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.432 1.440 4.227 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.081 0.509 6.830 1.00 0.39 C ATOM 0 H ILE A 108 -6.405 3.100 6.057 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.823 2.795 6.953 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.465 1.843 4.650 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.580 -0.395 5.622 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -3.956 0.573 6.943 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.638 0.509 3.699 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.374 2.259 3.510 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.483 1.354 4.757 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.148 -0.353 7.493 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.222 1.423 7.407 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.855 0.440 6.066 1.00 0.39 H new ATOM 945 N LEU A 109 -3.952 4.451 4.101 1.00 0.12 N ATOM 946 CA LEU A 109 -3.204 5.314 3.206 1.00 0.12 C ATOM 947 C LEU A 109 -2.776 6.608 3.866 1.00 0.13 C ATOM 948 O LEU A 109 -1.595 6.937 3.874 1.00 0.13 O ATOM 949 CB LEU A 109 -4.041 5.608 1.982 1.00 0.15 C ATOM 950 CG LEU A 109 -3.922 4.558 0.900 1.00 0.16 C ATOM 951 CD1 LEU A 109 -5.028 4.716 -0.111 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.574 4.676 0.233 1.00 0.17 C ATOM 0 H LEU A 109 -4.909 4.267 3.800 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.292 4.787 2.924 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -5.086 5.695 2.279 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.745 6.574 1.573 1.00 0.15 H new ATOM 0 HG LEU A 109 -4.013 3.569 1.348 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.927 3.953 -0.883 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.993 4.606 0.385 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.965 5.704 -0.568 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.487 3.920 -0.547 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.472 5.667 -0.209 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.788 4.526 0.973 1.00 0.17 H new ATOM 964 N SER A 110 -3.730 7.328 4.430 1.00 0.16 N ATOM 965 CA SER A 110 -3.440 8.599 5.074 1.00 0.20 C ATOM 966 C SER A 110 -2.418 8.409 6.185 1.00 0.19 C ATOM 967 O SER A 110 -1.568 9.267 6.419 1.00 0.22 O ATOM 968 CB SER A 110 -4.722 9.209 5.631 1.00 0.28 C ATOM 969 OG SER A 110 -5.345 8.339 6.557 1.00 1.18 O ATOM 0 H SER A 110 -4.712 7.055 4.456 1.00 0.16 H new ATOM 0 HA SER A 110 -3.021 9.280 4.333 1.00 0.20 H new ATOM 0 HB2 SER A 110 -4.495 10.158 6.117 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.409 9.426 4.813 1.00 0.28 H new ATOM 0 HG SER A 110 -5.849 7.652 6.073 1.00 1.18 H new ATOM 975 N ARG A 111 -2.507 7.269 6.856 1.00 0.18 N ATOM 976 CA ARG A 111 -1.579 6.933 7.915 1.00 0.19 C ATOM 977 C ARG A 111 -0.195 6.567 7.370 1.00 0.16 C ATOM 978 O ARG A 111 0.770 7.280 7.626 1.00 0.17 O ATOM 979 CB ARG A 111 -2.134 5.773 8.746 1.00 0.25 C ATOM 980 CG ARG A 111 -3.234 6.169 9.717 1.00 0.33 C ATOM 981 CD ARG A 111 -3.657 4.982 10.562 1.00 1.22 C ATOM 982 NE ARG A 111 -4.614 5.354 11.598 1.00 1.97 N ATOM 983 CZ ARG A 111 -4.879 4.608 12.666 1.00 2.79 C ATOM 984 NH1 ARG A 111 -4.274 3.438 12.840 1.00 3.10 N ATOM 985 NH2 ARG A 111 -5.754 5.039 13.566 1.00 3.73 N ATOM 0 H ARG A 111 -3.219 6.560 6.680 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.463 7.816 8.544 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.519 5.009 8.070 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.317 5.319 9.307 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -2.884 6.975 10.362 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.092 6.553 9.165 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -4.098 4.220 9.919 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -2.777 4.537 11.026 1.00 1.22 H new ATOM 0 HE ARG A 111 -5.110 6.240 11.497 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -3.600 3.105 12.151 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -4.484 2.873 13.663 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -6.219 5.938 13.436 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -5.962 4.472 14.388 1.00 3.73 H new ATOM 999 N VAL A 112 -0.105 5.503 6.568 1.00 0.15 N ATOM 1000 CA VAL A 112 1.203 4.973 6.163 1.00 0.14 C ATOM 1001 C VAL A 112 1.945 5.933 5.248 1.00 0.14 C ATOM 1002 O VAL A 112 3.154 6.122 5.390 1.00 0.15 O ATOM 1003 CB VAL A 112 1.129 3.581 5.486 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.510 2.549 6.411 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.374 3.647 4.177 1.00 0.15 C ATOM 0 H VAL A 112 -0.906 4.997 6.191 1.00 0.15 H new ATOM 0 HA VAL A 112 1.754 4.857 7.096 1.00 0.14 H new ATOM 0 HB VAL A 112 2.151 3.269 5.271 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.473 1.584 5.906 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.113 2.463 7.315 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.501 2.859 6.677 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.339 2.655 3.727 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.642 3.998 4.360 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.879 4.336 3.500 1.00 0.15 H new ATOM 1015 N LEU A 113 1.223 6.552 4.324 1.00 0.15 N ATOM 1016 CA LEU A 113 1.819 7.493 3.408 1.00 0.16 C ATOM 1017 C LEU A 113 2.468 8.638 4.169 1.00 0.17 C ATOM 1018 O LEU A 113 3.640 8.952 3.963 1.00 0.20 O ATOM 1019 CB LEU A 113 0.744 8.012 2.454 1.00 0.16 C ATOM 1020 CG LEU A 113 0.684 9.523 2.300 1.00 0.20 C ATOM 1021 CD1 LEU A 113 1.802 9.993 1.385 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.675 9.942 1.773 1.00 0.27 C ATOM 0 H LEU A 113 0.221 6.413 4.195 1.00 0.15 H new ATOM 0 HA LEU A 113 2.598 6.996 2.830 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.910 7.570 1.472 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.227 7.660 2.802 1.00 0.16 H new ATOM 0 HG LEU A 113 0.823 9.992 3.274 1.00 0.20 H new ATOM 0 HD11 LEU A 113 1.754 11.077 1.279 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.765 9.713 1.813 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.691 9.527 0.406 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.706 11.026 1.667 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.848 9.477 0.802 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.450 9.624 2.471 1.00 0.27 H new ATOM 1034 N SER A 114 1.707 9.236 5.062 1.00 0.17 N ATOM 1035 CA SER A 114 2.160 10.404 5.777 1.00 0.21 C ATOM 1036 C SER A 114 3.241 10.029 6.790 1.00 0.18 C ATOM 1037 O SER A 114 4.146 10.819 7.063 1.00 0.20 O ATOM 1038 CB SER A 114 0.968 11.084 6.436 1.00 0.26 C ATOM 1039 OG SER A 114 0.012 11.477 5.463 1.00 1.06 O ATOM 0 H SER A 114 0.767 8.928 5.309 1.00 0.17 H new ATOM 0 HA SER A 114 2.612 11.110 5.081 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.506 10.405 7.153 1.00 0.26 H new ATOM 0 HB3 SER A 114 1.305 11.957 6.995 1.00 0.26 H new ATOM 0 HG SER A 114 -0.752 10.864 5.489 1.00 1.06 H new ATOM 1045 N ARG A 115 3.153 8.815 7.330 1.00 0.15 N ATOM 1046 CA ARG A 115 4.221 8.272 8.153 1.00 0.16 C ATOM 1047 C ARG A 115 5.527 8.222 7.367 1.00 0.15 C ATOM 1048 O ARG A 115 6.569 8.629 7.863 1.00 0.18 O ATOM 1049 CB ARG A 115 3.866 6.871 8.640 1.00 0.20 C ATOM 1050 CG ARG A 115 2.745 6.844 9.657 1.00 0.31 C ATOM 1051 CD ARG A 115 3.159 7.487 10.962 1.00 0.53 C ATOM 1052 NE ARG A 115 2.141 7.321 11.999 1.00 0.89 N ATOM 1053 CZ ARG A 115 2.390 7.351 13.307 1.00 1.21 C ATOM 1054 NH1 ARG A 115 3.616 7.599 13.751 1.00 1.63 N ATOM 1055 NH2 ARG A 115 1.400 7.161 14.169 1.00 1.62 N ATOM 0 H ARG A 115 2.353 8.193 7.210 1.00 0.15 H new ATOM 0 HA ARG A 115 4.347 8.926 9.016 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.582 6.260 7.783 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.753 6.413 9.078 1.00 0.20 H new ATOM 0 HG2 ARG A 115 1.876 7.364 9.255 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.443 5.813 9.839 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.097 7.048 11.301 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.343 8.549 10.801 1.00 0.53 H new ATOM 0 HE ARG A 115 1.177 7.172 11.701 1.00 0.89 H new ATOM 0 HH11 ARG A 115 4.374 7.768 13.089 1.00 1.63 H new ATOM 0 HH12 ARG A 115 3.801 7.621 14.754 1.00 1.63 H new ATOM 0 HH21 ARG A 115 0.453 6.993 13.829 1.00 1.62 H new ATOM 0 HH22 ARG A 115 1.586 7.183 15.172 1.00 1.62 H new ATOM 1069 N ALA A 116 5.455 7.735 6.130 1.00 0.15 N ATOM 1070 CA ALA A 116 6.636 7.605 5.276 1.00 0.18 C ATOM 1071 C ALA A 116 7.161 8.965 4.826 1.00 0.21 C ATOM 1072 O ALA A 116 8.333 9.104 4.473 1.00 0.25 O ATOM 1073 CB ALA A 116 6.316 6.739 4.074 1.00 0.20 C ATOM 0 H ALA A 116 4.587 7.422 5.694 1.00 0.15 H new ATOM 0 HA ALA A 116 7.421 7.129 5.863 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.201 6.648 3.445 1.00 0.20 H new ATOM 0 HB2 ALA A 116 6.007 5.749 4.410 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.509 7.196 3.501 1.00 0.20 H new ATOM 1079 N ARG A 117 6.285 9.957 4.828 1.00 0.23 N ATOM 1080 CA ARG A 117 6.672 11.325 4.516 1.00 0.28 C ATOM 1081 C ARG A 117 7.504 11.906 5.652 1.00 0.29 C ATOM 1082 O ARG A 117 8.569 12.478 5.430 1.00 0.39 O ATOM 1083 CB ARG A 117 5.432 12.182 4.284 1.00 0.38 C ATOM 1084 CG ARG A 117 4.620 11.747 3.081 1.00 1.06 C ATOM 1085 CD ARG A 117 4.552 12.843 2.041 1.00 1.15 C ATOM 1086 NE ARG A 117 3.844 14.017 2.540 1.00 1.75 N ATOM 1087 CZ ARG A 117 2.919 14.681 1.852 1.00 2.25 C ATOM 1088 NH1 ARG A 117 2.583 14.282 0.632 1.00 2.33 N ATOM 1089 NH2 ARG A 117 2.329 15.736 2.394 1.00 2.99 N ATOM 0 H ARG A 117 5.295 9.840 5.044 1.00 0.23 H new ATOM 0 HA ARG A 117 7.272 11.321 3.606 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.801 12.144 5.172 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.736 13.220 4.152 1.00 0.38 H new ATOM 0 HG2 ARG A 117 5.065 10.853 2.643 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.612 11.479 3.397 1.00 1.06 H new ATOM 0 HD2 ARG A 117 5.562 13.126 1.744 1.00 1.15 H new ATOM 0 HD3 ARG A 117 4.051 12.468 1.149 1.00 1.15 H new ATOM 0 HE ARG A 117 4.073 14.350 3.477 1.00 1.75 H new ATOM 0 HH11 ARG A 117 3.034 13.465 0.220 1.00 2.33 H new ATOM 0 HH12 ARG A 117 1.874 14.792 0.106 1.00 2.33 H new ATOM 0 HH21 ARG A 117 2.585 16.036 3.335 1.00 2.99 H new ATOM 0 HH22 ARG A 117 1.619 16.248 1.870 1.00 2.99 H new ATOM 1103 N SER A 118 7.004 11.746 6.869 1.00 0.28 N ATOM 1104 CA SER A 118 7.685 12.199 8.054 1.00 0.33 C ATOM 1105 C SER A 118 8.910 11.349 8.354 1.00 0.32 C ATOM 1106 O SER A 118 9.961 11.854 8.750 1.00 0.41 O ATOM 1107 CB SER A 118 6.709 12.122 9.212 1.00 0.38 C ATOM 1108 OG SER A 118 5.723 13.137 9.128 1.00 0.62 O ATOM 0 H SER A 118 6.108 11.294 7.054 1.00 0.28 H new ATOM 0 HA SER A 118 8.029 13.222 7.901 1.00 0.33 H new ATOM 0 HB2 SER A 118 6.227 11.144 9.219 1.00 0.38 H new ATOM 0 HB3 SER A 118 7.251 12.217 10.153 1.00 0.38 H new ATOM 0 HG SER A 118 5.108 13.060 9.887 1.00 0.62 H new ATOM 1114 N ARG A 119 8.749 10.057 8.156 1.00 0.26 N ATOM 1115 CA ARG A 119 9.777 9.073 8.453 1.00 0.28 C ATOM 1116 C ARG A 119 10.194 8.320 7.193 1.00 0.26 C ATOM 1117 O ARG A 119 9.831 7.156 7.006 1.00 0.25 O ATOM 1118 CB ARG A 119 9.245 8.082 9.490 1.00 0.33 C ATOM 1119 CG ARG A 119 8.822 8.734 10.791 1.00 0.47 C ATOM 1120 CD ARG A 119 10.020 9.048 11.670 1.00 1.28 C ATOM 1121 NE ARG A 119 9.648 9.798 12.871 1.00 1.54 N ATOM 1122 CZ ARG A 119 8.917 9.308 13.878 1.00 2.39 C ATOM 1123 NH1 ARG A 119 8.431 8.074 13.826 1.00 3.26 N ATOM 1124 NH2 ARG A 119 8.665 10.060 14.940 1.00 2.60 N ATOM 0 H ARG A 119 7.891 9.653 7.780 1.00 0.26 H new ATOM 0 HA ARG A 119 10.651 9.592 8.847 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.394 7.548 9.067 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.015 7.339 9.699 1.00 0.33 H new ATOM 0 HG2 ARG A 119 8.275 9.652 10.578 1.00 0.47 H new ATOM 0 HG3 ARG A 119 8.140 8.073 11.326 1.00 0.47 H new ATOM 0 HD2 ARG A 119 10.507 8.118 11.962 1.00 1.28 H new ATOM 0 HD3 ARG A 119 10.748 9.622 11.097 1.00 1.28 H new ATOM 0 HE ARG A 119 9.969 10.763 12.945 1.00 1.54 H new ATOM 0 HH11 ARG A 119 8.614 7.488 13.011 1.00 3.26 H new ATOM 0 HH12 ARG A 119 7.875 7.712 14.601 1.00 3.26 H new ATOM 0 HH21 ARG A 119 9.029 11.012 14.989 1.00 2.60 H new ATOM 0 HH22 ARG A 119 8.108 9.687 15.708 1.00 2.60 H new ATOM 1138 N PRO A 120 10.981 8.969 6.322 1.00 0.29 N ATOM 1139 CA PRO A 120 11.489 8.356 5.087 1.00 0.30 C ATOM 1140 C PRO A 120 12.328 7.120 5.377 1.00 0.27 C ATOM 1141 O PRO A 120 12.418 6.195 4.569 1.00 0.28 O ATOM 1142 CB PRO A 120 12.367 9.460 4.482 1.00 0.37 C ATOM 1143 CG PRO A 120 12.675 10.368 5.615 1.00 0.38 C ATOM 1144 CD PRO A 120 11.453 10.351 6.470 1.00 0.35 C ATOM 0 HA PRO A 120 10.686 8.021 4.430 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.278 9.047 4.048 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.844 9.987 3.684 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.549 10.025 6.169 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.896 11.376 5.264 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.681 10.593 7.508 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.710 11.072 6.130 1.00 0.35 H new ATOM 1152 N ALA A 121 12.929 7.118 6.556 1.00 0.25 N ATOM 1153 CA ALA A 121 13.796 6.037 6.993 1.00 0.28 C ATOM 1154 C ALA A 121 13.056 4.702 7.071 1.00 0.27 C ATOM 1155 O ALA A 121 13.664 3.638 6.953 1.00 0.35 O ATOM 1156 CB ALA A 121 14.401 6.388 8.341 1.00 0.33 C ATOM 0 H ALA A 121 12.828 7.869 7.239 1.00 0.25 H new ATOM 0 HA ALA A 121 14.588 5.919 6.253 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.052 5.578 8.670 1.00 0.33 H new ATOM 0 HB2 ALA A 121 14.982 7.306 8.251 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.604 6.533 9.071 1.00 0.33 H new ATOM 1162 N LYS A 122 11.746 4.753 7.270 1.00 0.22 N ATOM 1163 CA LYS A 122 10.952 3.543 7.383 1.00 0.27 C ATOM 1164 C LYS A 122 9.879 3.489 6.308 1.00 0.19 C ATOM 1165 O LYS A 122 8.883 2.781 6.458 1.00 0.18 O ATOM 1166 CB LYS A 122 10.324 3.448 8.772 1.00 0.39 C ATOM 1167 CG LYS A 122 11.322 3.086 9.860 1.00 0.49 C ATOM 1168 CD LYS A 122 11.111 1.664 10.363 1.00 0.66 C ATOM 1169 CE LYS A 122 9.776 1.516 11.085 1.00 1.28 C ATOM 1170 NZ LYS A 122 9.624 0.177 11.723 1.00 1.79 N ATOM 0 H LYS A 122 11.214 5.619 7.356 1.00 0.22 H new ATOM 0 HA LYS A 122 11.614 2.689 7.239 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.858 4.402 9.019 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.530 2.701 8.754 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.336 3.189 9.474 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.225 3.785 10.691 1.00 0.49 H new ATOM 0 HD2 LYS A 122 11.150 0.971 9.523 1.00 0.66 H new ATOM 0 HD3 LYS A 122 11.922 1.392 11.038 1.00 0.66 H new ATOM 0 HE2 LYS A 122 9.689 2.291 11.847 1.00 1.28 H new ATOM 0 HE3 LYS A 122 8.963 1.673 10.376 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 8.640 -0.145 11.625 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 10.258 -0.503 11.258 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 9.868 0.243 12.732 1.00 1.79 H new ATOM 1184 N LEU A 123 10.101 4.224 5.219 1.00 0.17 N ATOM 1185 CA LEU A 123 9.197 4.229 4.081 1.00 0.14 C ATOM 1186 C LEU A 123 8.832 2.812 3.650 1.00 0.12 C ATOM 1187 O LEU A 123 7.677 2.524 3.346 1.00 0.12 O ATOM 1188 CB LEU A 123 9.864 4.964 2.924 1.00 0.16 C ATOM 1189 CG LEU A 123 9.219 4.760 1.563 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.934 5.553 1.457 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.190 5.150 0.473 1.00 0.21 C ATOM 0 H LEU A 123 10.913 4.831 5.106 1.00 0.17 H new ATOM 0 HA LEU A 123 8.276 4.735 4.371 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.869 6.031 3.148 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.905 4.645 2.865 1.00 0.16 H new ATOM 0 HG LEU A 123 8.968 3.706 1.443 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.488 5.393 0.475 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.239 5.224 2.229 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.149 6.613 1.590 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.723 5.002 -0.501 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.464 6.199 0.588 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.084 4.531 0.544 1.00 0.21 H new ATOM 1203 N TYR A 124 9.820 1.924 3.658 1.00 0.13 N ATOM 1204 CA TYR A 124 9.621 0.558 3.195 1.00 0.13 C ATOM 1205 C TYR A 124 8.625 -0.174 4.063 1.00 0.13 C ATOM 1206 O TYR A 124 7.769 -0.859 3.547 1.00 0.14 O ATOM 1207 CB TYR A 124 10.934 -0.204 3.150 1.00 0.14 C ATOM 1208 CG TYR A 124 11.829 0.212 2.020 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.718 1.266 2.156 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.782 -0.457 0.813 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.539 1.638 1.113 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.593 -0.097 -0.227 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.474 0.951 -0.079 1.00 0.24 C ATOM 1214 OH TYR A 124 14.292 1.315 -1.124 1.00 0.31 O ATOM 0 H TYR A 124 10.766 2.127 3.980 1.00 0.13 H new ATOM 0 HA TYR A 124 9.220 0.614 2.183 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.461 -0.059 4.093 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.724 -1.270 3.063 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.768 1.803 3.092 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.093 -1.279 0.688 1.00 0.14 H new ATOM 0 HE1 TYR A 124 14.228 2.462 1.230 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.543 -0.634 -1.163 1.00 0.19 H new ATOM 0 HH TYR A 124 14.122 0.730 -1.892 1.00 0.31 H new ATOM 1224 N VAL A 125 8.732 -0.024 5.373 1.00 0.13 N ATOM 1225 CA VAL A 125 7.761 -0.631 6.280 1.00 0.14 C ATOM 1226 C VAL A 125 6.336 -0.258 5.894 1.00 0.12 C ATOM 1227 O VAL A 125 5.443 -1.102 5.892 1.00 0.14 O ATOM 1228 CB VAL A 125 8.024 -0.217 7.735 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.913 -0.709 8.660 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.378 -0.747 8.161 1.00 0.23 C ATOM 0 H VAL A 125 9.472 0.507 5.833 1.00 0.13 H new ATOM 0 HA VAL A 125 7.877 -1.711 6.195 1.00 0.14 H new ATOM 0 HB VAL A 125 8.030 0.871 7.805 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.128 -0.400 9.683 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.961 -0.282 8.344 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.856 -1.797 8.614 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.574 -0.458 9.194 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.385 -1.834 8.081 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.151 -0.331 7.515 1.00 0.23 H new ATOM 1240 N TYR A 126 6.139 0.998 5.538 1.00 0.11 N ATOM 1241 CA TYR A 126 4.827 1.478 5.145 1.00 0.11 C ATOM 1242 C TYR A 126 4.477 0.972 3.747 1.00 0.10 C ATOM 1243 O TYR A 126 3.315 0.715 3.444 1.00 0.11 O ATOM 1244 CB TYR A 126 4.801 3.000 5.239 1.00 0.12 C ATOM 1245 CG TYR A 126 5.294 3.483 6.585 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.779 2.943 7.755 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.292 4.444 6.691 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.237 3.348 8.991 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.759 4.853 7.926 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.229 4.301 9.073 1.00 0.20 C ATOM 1251 OH TYR A 126 6.692 4.705 10.307 1.00 0.25 O ATOM 0 H TYR A 126 6.873 1.706 5.513 1.00 0.11 H new ATOM 0 HA TYR A 126 4.065 1.089 5.820 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.422 3.425 4.450 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.785 3.358 5.073 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.005 2.192 7.696 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.709 4.878 5.794 1.00 0.17 H new ATOM 0 HE1 TYR A 126 4.820 2.920 9.891 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.535 5.601 7.992 1.00 0.20 H new ATOM 0 HH TYR A 126 7.391 5.381 10.189 1.00 0.25 H new ATOM 1261 N ILE A 127 5.502 0.821 2.909 1.00 0.11 N ATOM 1262 CA ILE A 127 5.377 0.123 1.626 1.00 0.11 C ATOM 1263 C ILE A 127 4.900 -1.310 1.866 1.00 0.11 C ATOM 1264 O ILE A 127 3.940 -1.778 1.255 1.00 0.11 O ATOM 1265 CB ILE A 127 6.740 0.095 0.881 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.103 1.499 0.398 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.712 -0.880 -0.283 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.580 1.706 0.148 1.00 0.11 C ATOM 0 H ILE A 127 6.439 1.177 3.097 1.00 0.11 H new ATOM 0 HA ILE A 127 4.652 0.656 1.011 1.00 0.11 H new ATOM 0 HB ILE A 127 7.503 -0.247 1.580 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.558 1.707 -0.523 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.766 2.224 1.139 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.680 -0.877 -0.784 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.499 -1.883 0.087 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.937 -0.582 -0.989 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.752 2.727 -0.192 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.133 1.533 1.071 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.921 1.007 -0.616 1.00 0.11 H new ATOM 1280 N ASN A 128 5.588 -1.978 2.784 1.00 0.12 N ATOM 1281 CA ASN A 128 5.289 -3.339 3.183 1.00 0.14 C ATOM 1282 C ASN A 128 3.861 -3.442 3.682 1.00 0.14 C ATOM 1283 O ASN A 128 3.101 -4.317 3.256 1.00 0.16 O ATOM 1284 CB ASN A 128 6.238 -3.762 4.310 1.00 0.20 C ATOM 1285 CG ASN A 128 7.672 -4.001 3.869 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.392 -4.762 4.494 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.105 -3.348 2.807 1.00 0.26 N ATOM 0 H ASN A 128 6.384 -1.577 3.279 1.00 0.12 H new ATOM 0 HA ASN A 128 5.417 -3.991 2.319 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.232 -2.992 5.081 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.855 -4.674 4.767 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.066 -3.473 2.488 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.479 -2.718 2.305 1.00 0.26 H new ATOM 1294 N GLU A 129 3.513 -2.539 4.598 1.00 0.13 N ATOM 1295 CA GLU A 129 2.175 -2.493 5.159 1.00 0.16 C ATOM 1296 C GLU A 129 1.153 -2.321 4.071 1.00 0.15 C ATOM 1297 O GLU A 129 0.347 -3.200 3.841 1.00 0.17 O ATOM 1298 CB GLU A 129 2.029 -1.344 6.152 1.00 0.23 C ATOM 1299 CG GLU A 129 2.751 -1.587 7.454 1.00 0.29 C ATOM 1300 CD GLU A 129 2.323 -0.633 8.547 1.00 0.60 C ATOM 1301 OE1 GLU A 129 2.679 0.556 8.485 1.00 1.03 O ATOM 1302 OE2 GLU A 129 1.615 -1.079 9.476 1.00 0.90 O ATOM 0 H GLU A 129 4.147 -1.829 4.965 1.00 0.13 H new ATOM 0 HA GLU A 129 2.010 -3.437 5.678 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.411 -0.429 5.698 1.00 0.23 H new ATOM 0 HB3 GLU A 129 0.971 -1.181 6.356 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.569 -2.611 7.780 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.825 -1.490 7.293 1.00 0.29 H new ATOM 1309 N LEU A 130 1.245 -1.205 3.376 1.00 0.14 N ATOM 1310 CA LEU A 130 0.301 -0.845 2.329 1.00 0.15 C ATOM 1311 C LEU A 130 0.093 -1.988 1.329 1.00 0.15 C ATOM 1312 O LEU A 130 -1.033 -2.249 0.911 1.00 0.18 O ATOM 1313 CB LEU A 130 0.819 0.408 1.631 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.174 1.153 0.750 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.504 1.331 1.469 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.412 2.505 0.376 1.00 0.12 C ATOM 0 H LEU A 130 1.982 -0.515 3.521 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.674 -0.649 2.775 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.183 1.097 2.393 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.676 0.128 1.018 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.358 0.573 -0.154 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.199 1.866 0.822 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.918 0.353 1.716 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.349 1.902 2.385 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.293 3.045 -0.255 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.604 3.081 1.281 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.346 2.359 -0.166 1.00 0.12 H new ATOM 1328 N CYS A 131 1.168 -2.684 0.974 1.00 0.14 N ATOM 1329 CA CYS A 131 1.073 -3.823 0.060 1.00 0.17 C ATOM 1330 C CYS A 131 0.336 -4.991 0.718 1.00 0.18 C ATOM 1331 O CYS A 131 -0.579 -5.573 0.127 1.00 0.21 O ATOM 1332 CB CYS A 131 2.470 -4.274 -0.380 1.00 0.20 C ATOM 1333 SG CYS A 131 2.475 -5.728 -1.458 1.00 0.53 S ATOM 0 H CYS A 131 2.113 -2.483 1.302 1.00 0.14 H new ATOM 0 HA CYS A 131 0.508 -3.504 -0.816 1.00 0.17 H new ATOM 0 HB2 CYS A 131 2.959 -3.449 -0.899 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.066 -4.491 0.507 1.00 0.20 H new ATOM 0 HG CYS A 131 3.469 -5.646 -2.292 1.00 0.53 H new ATOM 1339 N THR A 132 0.722 -5.325 1.947 1.00 0.19 N ATOM 1340 CA THR A 132 0.081 -6.411 2.677 1.00 0.23 C ATOM 1341 C THR A 132 -1.366 -6.048 2.967 1.00 0.21 C ATOM 1342 O THR A 132 -2.264 -6.871 2.853 1.00 0.22 O ATOM 1343 CB THR A 132 0.799 -6.708 4.007 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.189 -6.969 3.768 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.164 -7.905 4.705 1.00 0.36 C ATOM 0 H THR A 132 1.474 -4.859 2.456 1.00 0.19 H new ATOM 0 HA THR A 132 0.133 -7.303 2.053 1.00 0.23 H new ATOM 0 HB THR A 132 0.702 -5.835 4.652 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.651 -6.127 3.570 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.686 -8.098 5.642 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.885 -7.692 4.911 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.237 -8.782 4.062 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.560 -4.787 3.306 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.864 -4.215 3.581 1.00 0.17 C ATOM 1355 C VAL A 133 -3.826 -4.500 2.439 1.00 0.18 C ATOM 1356 O VAL A 133 -4.983 -4.870 2.661 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.719 -2.686 3.780 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.029 -1.960 3.543 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.172 -2.370 5.170 1.00 0.18 C ATOM 0 H VAL A 133 -0.797 -4.117 3.400 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.266 -4.667 4.488 1.00 0.17 H new ATOM 0 HB VAL A 133 -2.007 -2.328 3.037 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.884 -0.890 3.693 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.366 -2.141 2.522 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.780 -2.326 4.243 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.078 -1.290 5.287 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.853 -2.760 5.926 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.193 -2.834 5.290 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.327 -4.346 1.224 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.117 -4.583 0.035 1.00 0.20 C ATOM 1371 C LEU A 134 -4.632 -6.017 -0.006 1.00 0.23 C ATOM 1372 O LEU A 134 -5.823 -6.244 -0.146 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.282 -4.284 -1.211 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.844 -2.826 -1.346 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.888 -2.637 -2.506 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -4.052 -1.946 -1.526 1.00 0.20 C ATOM 0 H LEU A 134 -2.367 -4.055 1.038 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.980 -3.917 0.058 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.395 -4.917 -1.199 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.858 -4.560 -2.094 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.319 -2.546 -0.433 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.598 -1.588 -2.571 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -1.000 -3.250 -2.349 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.377 -2.937 -3.433 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.735 -0.908 -1.622 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.590 -2.246 -2.426 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.708 -2.047 -0.661 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.745 -6.984 0.146 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.142 -8.381 0.036 1.00 0.29 C ATOM 1390 C LYS A 135 -4.779 -8.910 1.315 1.00 0.30 C ATOM 1391 O LYS A 135 -5.610 -9.816 1.271 1.00 0.35 O ATOM 1392 CB LYS A 135 -2.961 -9.251 -0.365 1.00 0.33 C ATOM 1393 CG LYS A 135 -3.062 -9.762 -1.789 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.301 -10.636 -1.986 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.291 -11.312 -3.347 1.00 0.91 C ATOM 1396 NZ LYS A 135 -5.241 -12.453 -3.407 1.00 1.59 N ATOM 0 H LYS A 135 -2.756 -6.834 0.344 1.00 0.25 H new ATOM 0 HA LYS A 135 -4.900 -8.429 -0.746 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.040 -8.678 -0.254 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -2.893 -10.099 0.316 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -3.098 -8.918 -2.478 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.168 -10.336 -2.035 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.343 -11.393 -1.202 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -5.198 -10.025 -1.888 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -4.550 -10.584 -4.116 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.284 -11.666 -3.569 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -5.204 -12.887 -4.352 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -4.980 -13.160 -2.691 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -6.206 -12.112 -3.221 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.384 -8.361 2.449 1.00 0.27 N ATOM 1411 CA ALA A 136 -4.901 -8.817 3.732 1.00 0.30 C ATOM 1412 C ALA A 136 -6.399 -8.576 3.845 1.00 0.31 C ATOM 1413 O ALA A 136 -7.125 -9.387 4.419 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.180 -8.127 4.879 1.00 0.33 C ATOM 0 H ALA A 136 -3.708 -7.600 2.511 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.721 -9.890 3.793 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.582 -8.482 5.828 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.115 -8.354 4.828 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.325 -7.049 4.804 1.00 0.33 H new ATOM 1420 N HIS A 137 -6.863 -7.460 3.301 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.252 -7.082 3.451 1.00 0.35 C ATOM 1422 C HIS A 137 -9.000 -7.111 2.122 1.00 0.35 C ATOM 1423 O HIS A 137 -10.207 -6.869 2.077 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.343 -5.698 4.083 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.476 -5.541 5.298 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -7.733 -6.166 6.498 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.322 -4.858 5.477 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -6.776 -5.876 7.357 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -5.906 -5.082 6.765 1.00 0.49 N ATOM 0 H HIS A 137 -6.299 -6.808 2.756 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.729 -7.813 4.104 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.059 -4.949 3.343 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.379 -5.499 4.357 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -5.820 -4.248 4.741 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -6.715 -6.230 8.376 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -5.064 -4.698 7.193 1.00 0.49 H new ATOM 1438 N SER A 138 -8.290 -7.421 1.045 1.00 0.31 N ATOM 1439 CA SER A 138 -8.894 -7.459 -0.280 1.00 0.33 C ATOM 1440 C SER A 138 -8.394 -8.669 -1.064 1.00 0.55 C ATOM 1441 O SER A 138 -7.213 -9.007 -1.012 1.00 1.05 O ATOM 1442 CB SER A 138 -8.557 -6.184 -1.045 1.00 0.38 C ATOM 1443 OG SER A 138 -8.264 -5.126 -0.163 1.00 1.00 O ATOM 0 H SER A 138 -7.296 -7.650 1.063 1.00 0.31 H new ATOM 0 HA SER A 138 -9.975 -7.537 -0.161 1.00 0.33 H new ATOM 0 HB2 SER A 138 -7.704 -6.363 -1.699 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.396 -5.907 -1.684 1.00 0.38 H new ATOM 0 HG SER A 138 -7.323 -5.175 0.106 1.00 1.00 H new ATOM 1624 N SER B 27 4.337 -10.895 2.493 1.00 0.55 N ATOM 1625 CA SER B 27 3.886 -9.715 3.218 1.00 0.54 C ATOM 1626 C SER B 27 4.919 -8.590 3.186 1.00 0.44 C ATOM 1627 O SER B 27 5.132 -7.959 2.155 1.00 0.53 O ATOM 1628 CB SER B 27 3.523 -10.106 4.655 1.00 0.75 C ATOM 1629 OG SER B 27 2.994 -9.013 5.384 1.00 1.37 O ATOM 0 HA SER B 27 2.998 -9.325 2.721 1.00 0.54 H new ATOM 0 HB2 SER B 27 2.795 -10.917 4.637 1.00 0.75 H new ATOM 0 HB3 SER B 27 4.410 -10.485 5.163 1.00 0.75 H new ATOM 0 HG SER B 27 2.825 -8.264 4.775 1.00 1.37 H new ATOM 1635 N ASP B 28 5.550 -8.348 4.317 1.00 0.43 N ATOM 1636 CA ASP B 28 6.561 -7.310 4.433 1.00 0.37 C ATOM 1637 C ASP B 28 7.876 -7.784 3.833 1.00 0.33 C ATOM 1638 O ASP B 28 8.548 -7.046 3.112 1.00 0.31 O ATOM 1639 CB ASP B 28 6.735 -6.895 5.908 1.00 0.44 C ATOM 1640 CG ASP B 28 7.063 -8.056 6.835 1.00 0.95 C ATOM 1641 OD1 ASP B 28 6.335 -9.074 6.808 1.00 1.07 O ATOM 1642 OD2 ASP B 28 8.041 -7.952 7.605 1.00 1.83 O ATOM 0 H ASP B 28 5.379 -8.862 5.181 1.00 0.43 H new ATOM 0 HA ASP B 28 6.234 -6.433 3.874 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.529 -6.152 5.976 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.819 -6.415 6.252 1.00 0.44 H new ATOM 1647 N SER B 29 8.207 -9.038 4.075 1.00 0.36 N ATOM 1648 CA SER B 29 9.437 -9.617 3.560 1.00 0.34 C ATOM 1649 C SER B 29 9.428 -9.657 2.038 1.00 0.33 C ATOM 1650 O SER B 29 10.475 -9.727 1.400 1.00 0.34 O ATOM 1651 CB SER B 29 9.607 -11.011 4.114 1.00 0.39 C ATOM 1652 OG SER B 29 9.523 -11.001 5.530 1.00 1.07 O ATOM 0 H SER B 29 7.639 -9.680 4.628 1.00 0.36 H new ATOM 0 HA SER B 29 10.274 -8.993 3.875 1.00 0.34 H new ATOM 0 HB2 SER B 29 8.839 -11.667 3.704 1.00 0.39 H new ATOM 0 HB3 SER B 29 10.571 -11.416 3.805 1.00 0.39 H new ATOM 0 HG SER B 29 10.038 -10.245 5.883 1.00 1.07 H new ATOM 1658 N GLU B 30 8.228 -9.585 1.479 1.00 0.35 N ATOM 1659 CA GLU B 30 8.014 -9.588 0.038 1.00 0.37 C ATOM 1660 C GLU B 30 8.807 -8.463 -0.629 1.00 0.34 C ATOM 1661 O GLU B 30 9.280 -8.592 -1.758 1.00 0.39 O ATOM 1662 CB GLU B 30 6.519 -9.432 -0.225 1.00 0.45 C ATOM 1663 CG GLU B 30 6.115 -9.635 -1.661 1.00 0.68 C ATOM 1664 CD GLU B 30 4.629 -9.914 -1.821 1.00 1.37 C ATOM 1665 OE1 GLU B 30 3.810 -8.985 -1.644 1.00 2.33 O ATOM 1666 OE2 GLU B 30 4.276 -11.068 -2.137 1.00 1.57 O ATOM 0 H GLU B 30 7.365 -9.522 2.020 1.00 0.35 H new ATOM 0 HA GLU B 30 8.366 -10.528 -0.388 1.00 0.37 H new ATOM 0 HB2 GLU B 30 5.977 -10.145 0.396 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.209 -8.435 0.089 1.00 0.45 H new ATOM 0 HG2 GLU B 30 6.377 -8.747 -2.236 1.00 0.68 H new ATOM 0 HG3 GLU B 30 6.683 -10.466 -2.080 1.00 0.68 H new ATOM 1673 N LEU B 31 8.951 -7.372 0.101 1.00 0.28 N ATOM 1674 CA LEU B 31 9.735 -6.231 -0.321 1.00 0.24 C ATOM 1675 C LEU B 31 11.199 -6.473 -0.025 1.00 0.25 C ATOM 1676 O LEU B 31 12.076 -6.297 -0.871 1.00 0.26 O ATOM 1677 CB LEU B 31 9.317 -5.006 0.459 1.00 0.20 C ATOM 1678 CG LEU B 31 7.919 -4.449 0.208 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.795 -3.881 -1.184 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.858 -5.492 0.459 1.00 0.24 C ATOM 0 H LEU B 31 8.519 -7.254 1.017 1.00 0.28 H new ATOM 0 HA LEU B 31 9.576 -6.084 -1.389 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.399 -5.240 1.520 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.036 -4.214 0.250 1.00 0.20 H new ATOM 0 HG LEU B 31 7.762 -3.635 0.916 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.787 -3.493 -1.330 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.517 -3.075 -1.314 1.00 0.19 H new ATOM 0 HD13 LEU B 31 7.991 -4.665 -1.916 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.874 -5.063 0.271 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.017 -6.340 -0.207 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.916 -5.828 1.494 1.00 0.24 H new ATOM 1692 N GLU B 32 11.424 -6.867 1.219 1.00 0.26 N ATOM 1693 CA GLU B 32 12.762 -7.089 1.778 1.00 0.29 C ATOM 1694 C GLU B 32 13.620 -7.983 0.892 1.00 0.33 C ATOM 1695 O GLU B 32 14.850 -7.934 0.954 1.00 0.38 O ATOM 1696 CB GLU B 32 12.668 -7.729 3.161 1.00 0.29 C ATOM 1697 CG GLU B 32 11.616 -7.130 4.080 1.00 0.26 C ATOM 1698 CD GLU B 32 11.770 -7.634 5.505 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.197 -8.697 5.831 1.00 0.59 O ATOM 1700 OE2 GLU B 32 12.498 -6.994 6.293 1.00 0.47 O ATOM 0 H GLU B 32 10.673 -7.046 1.886 1.00 0.26 H new ATOM 0 HA GLU B 32 13.233 -6.108 1.843 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.458 -8.792 3.039 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.640 -7.650 3.647 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.696 -6.043 4.067 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.622 -7.381 3.709 1.00 0.26 H new ATOM 1707 N GLN B 33 12.951 -8.794 0.088 1.00 0.35 N ATOM 1708 CA GLN B 33 13.602 -9.734 -0.822 1.00 0.40 C ATOM 1709 C GLN B 33 14.695 -9.059 -1.627 1.00 0.39 C ATOM 1710 O GLN B 33 15.801 -9.581 -1.761 1.00 0.48 O ATOM 1711 CB GLN B 33 12.580 -10.324 -1.786 1.00 0.43 C ATOM 1712 CG GLN B 33 11.427 -11.007 -1.098 1.00 0.47 C ATOM 1713 CD GLN B 33 11.854 -12.201 -0.273 1.00 0.57 C ATOM 1714 OE1 GLN B 33 11.932 -13.326 -0.771 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.127 -11.967 0.996 1.00 0.57 N ATOM 0 H GLN B 33 11.932 -8.822 0.045 1.00 0.35 H new ATOM 0 HA GLN B 33 14.046 -10.522 -0.214 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.193 -9.529 -2.423 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.079 -11.041 -2.438 1.00 0.43 H new ATOM 0 HG2 GLN B 33 10.919 -10.290 -0.453 1.00 0.47 H new ATOM 0 HG3 GLN B 33 10.704 -11.330 -1.847 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.050 -11.020 1.368 1.00 0.57 H new ATOM 0 HE22 GLN B 33 12.415 -12.733 1.605 1.00 0.57 H new ATOM 1724 N TYR B 34 14.377 -7.897 -2.161 1.00 0.32 N ATOM 1725 CA TYR B 34 15.305 -7.192 -3.024 1.00 0.32 C ATOM 1726 C TYR B 34 15.663 -5.804 -2.498 1.00 0.30 C ATOM 1727 O TYR B 34 16.760 -5.305 -2.763 1.00 0.37 O ATOM 1728 CB TYR B 34 14.738 -7.096 -4.443 1.00 0.32 C ATOM 1729 CG TYR B 34 13.226 -7.149 -4.524 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.431 -6.312 -3.754 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.593 -8.030 -5.391 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.065 -6.347 -3.837 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.216 -8.075 -5.481 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.454 -7.231 -4.703 1.00 0.34 C ATOM 1735 OH TYR B 34 9.084 -7.266 -4.800 1.00 0.40 O ATOM 0 H TYR B 34 13.487 -7.422 -2.014 1.00 0.32 H new ATOM 0 HA TYR B 34 16.229 -7.770 -3.039 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.080 -6.165 -4.894 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.149 -7.910 -5.040 1.00 0.32 H new ATOM 0 HD1 TYR B 34 12.901 -5.617 -3.074 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.187 -8.691 -6.005 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.468 -5.685 -3.227 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.739 -8.768 -6.158 1.00 0.42 H new ATOM 0 HH TYR B 34 8.703 -6.495 -4.329 1.00 0.40 H new ATOM 1745 N PHE B 35 14.767 -5.176 -1.745 1.00 0.27 N ATOM 1746 CA PHE B 35 15.007 -3.814 -1.299 1.00 0.26 C ATOM 1747 C PHE B 35 14.439 -3.557 0.089 1.00 0.25 C ATOM 1748 O PHE B 35 13.424 -4.129 0.463 1.00 0.25 O ATOM 1749 CB PHE B 35 14.449 -2.799 -2.314 1.00 0.25 C ATOM 1750 CG PHE B 35 12.992 -2.938 -2.663 1.00 0.21 C ATOM 1751 CD1 PHE B 35 12.010 -2.864 -1.695 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.611 -3.121 -3.981 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.684 -2.972 -2.026 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.280 -3.234 -4.322 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.313 -3.161 -3.341 1.00 0.18 C ATOM 0 H PHE B 35 13.883 -5.582 -1.436 1.00 0.27 H new ATOM 0 HA PHE B 35 16.087 -3.683 -1.235 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.612 -1.796 -1.920 1.00 0.25 H new ATOM 0 HB3 PHE B 35 15.030 -2.879 -3.233 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.291 -2.719 -0.662 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.366 -3.176 -4.752 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.929 -2.909 -1.256 1.00 0.16 H new ATOM 0 HE2 PHE B 35 10.995 -3.379 -5.354 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.269 -3.252 -3.602 1.00 0.18 H new ATOM 1765 N THR B 36 15.135 -2.713 0.845 1.00 0.27 N ATOM 1766 CA THR B 36 14.695 -2.253 2.161 1.00 0.27 C ATOM 1767 C THR B 36 15.630 -1.152 2.660 1.00 0.32 C ATOM 1768 O THR B 36 16.645 -0.867 2.025 1.00 0.45 O ATOM 1769 CB THR B 36 14.622 -3.394 3.205 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.511 -4.459 2.841 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.204 -3.916 3.317 1.00 0.27 C ATOM 0 H THR B 36 16.033 -2.323 0.558 1.00 0.27 H new ATOM 0 HA THR B 36 13.683 -1.866 2.043 1.00 0.27 H new ATOM 0 HB THR B 36 14.927 -2.997 4.173 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.457 -5.173 3.510 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.169 -4.718 4.055 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.542 -3.108 3.628 1.00 0.27 H new ATOM 0 HG23 THR B 36 12.880 -4.299 2.349 1.00 0.27 H new ATOM 1779 N ALA B 37 15.286 -0.535 3.782 1.00 0.32 N ATOM 1780 CA ALA B 37 16.081 0.562 4.328 1.00 0.35 C ATOM 1781 C ALA B 37 16.944 0.071 5.480 1.00 0.43 C ATOM 1782 O ALA B 37 17.220 -1.123 5.588 1.00 0.53 O ATOM 1783 CB ALA B 37 15.177 1.697 4.797 1.00 0.29 C ATOM 0 H ALA B 37 14.462 -0.774 4.334 1.00 0.32 H new ATOM 0 HA ALA B 37 16.732 0.938 3.539 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.787 2.505 5.201 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.593 2.069 3.955 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.503 1.329 5.571 1.00 0.29 H new ATOM 1789 N ARG B 38 17.358 0.997 6.341 1.00 0.44 N ATOM 1790 CA ARG B 38 18.175 0.659 7.499 1.00 0.52 C ATOM 1791 C ARG B 38 17.457 -0.353 8.394 1.00 0.56 C ATOM 1792 O ARG B 38 18.064 -1.317 8.860 1.00 0.67 O ATOM 1793 CB ARG B 38 18.533 1.920 8.307 1.00 0.57 C ATOM 1794 CG ARG B 38 17.391 2.445 9.161 1.00 0.67 C ATOM 1795 CD ARG B 38 16.743 3.671 8.572 1.00 0.93 C ATOM 1796 NE ARG B 38 17.496 4.881 8.882 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.370 5.556 10.027 1.00 2.28 C ATOM 1798 NH1 ARG B 38 16.551 5.114 10.982 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.072 6.663 10.221 1.00 2.94 N ATOM 0 H ARG B 38 17.139 1.990 6.257 1.00 0.44 H new ATOM 0 HA ARG B 38 19.098 0.208 7.135 1.00 0.52 H new ATOM 0 HB2 ARG B 38 19.384 1.698 8.951 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.850 2.704 7.619 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.641 1.663 9.278 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.765 2.680 10.157 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.665 3.558 7.491 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.727 3.766 8.956 1.00 0.93 H new ATOM 0 HE ARG B 38 18.155 5.231 8.186 1.00 1.60 H new ATOM 0 HH11 ARG B 38 16.017 4.257 10.840 1.00 2.75 H new ATOM 0 HH12 ARG B 38 16.458 5.633 11.855 1.00 2.75 H new ATOM 0 HH21 ARG B 38 18.707 6.998 9.496 1.00 2.94 H new ATOM 0 HH22 ARG B 38 17.977 7.180 11.095 1.00 2.94 H new ATOM 1813 N TRP B 39 16.156 -0.122 8.594 1.00 0.54 N ATOM 1814 CA TRP B 39 15.303 -0.955 9.438 1.00 0.64 C ATOM 1815 C TRP B 39 15.973 -1.315 10.762 1.00 0.85 C ATOM 1816 O TRP B 39 16.438 -2.466 10.912 1.00 1.41 O ATOM 1817 CB TRP B 39 14.877 -2.204 8.674 1.00 0.60 C ATOM 1818 CG TRP B 39 13.928 -1.884 7.577 1.00 0.43 C ATOM 1819 CD1 TRP B 39 14.014 -0.848 6.710 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.747 -2.595 7.241 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.947 -0.861 5.848 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.157 -1.935 6.152 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.131 -3.726 7.754 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 10.980 -2.378 5.570 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 10.965 -4.157 7.174 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.402 -3.487 6.093 1.00 0.25 C ATOM 1827 OXT TRP B 39 16.037 -0.434 11.644 1.00 1.45 O ATOM 0 H TRP B 39 15.661 0.661 8.167 1.00 0.54 H new ATOM 0 HA TRP B 39 14.415 -0.376 9.691 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.758 -2.695 8.261 1.00 0.60 H new ATOM 0 HB3 TRP B 39 14.412 -2.910 9.362 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.808 -0.116 6.699 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.772 -0.184 5.106 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.560 -4.256 8.592 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.540 -1.859 4.731 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.474 -5.036 7.565 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.484 -3.858 5.661 1.00 0.25 H new