USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 656 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 81 HIS : no HE2:sc= 1.11 K(o=1.1,f=-2.5!) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= -0.0281 USER MOD Set 2.1: A 106 CYS SG : rot 74:sc= 1.19 USER MOD Set 2.2: A 110 SER OG : rot 82:sc= 1.01 USER MOD Single : A 60 LYS NZ :NH3+ -138:sc= 0.468 (180deg=-3.08!) USER MOD Single : A 63 ASN : amide:sc= -0.128 K(o=-0.13,f=-8.2!) USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 0.904 (180deg=0.587) USER MOD Single : A 74 CYS SG : rot 66:sc= -0.723 USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.03) USER MOD Single : A 76 MET CE :methyl 169:sc= -3.52! (180deg=-4.08!) USER MOD Single : A 77 GLN : amide:sc= -0.264 K(o=-0.26,f=-0.9) USER MOD Single : A 78 THR OG1 : rot -36:sc= 1.22 USER MOD Single : A 89 TYR OH : rot 47:sc= 1.17 USER MOD Single : A 90 ASN : amide:sc= -0.786 K(o=-0.79,f=-2.7) USER MOD Single : A 92 GLN : amide:sc= -0.606! C(o=-0.61!,f=-5.4!) USER MOD Single : A 93 GLN : amide:sc= -0.571 X(o=-0.57,f=-0.36) USER MOD Single : A 96 HIS : no HD1:sc= -1.59! C(o=-1.6!,f=-8.8!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -45:sc= 1.1 USER MOD Single : A 107 ASN : amide:sc= -0.0849 X(o=-0.085,f=-0.57) USER MOD Single : A 114 SER OG : rot 87:sc= 1.29 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -28:sc= -2.61! USER MOD Single : A 128 ASN : amide:sc= -3.37! K(o=-3.4!,f=-0.68) USER MOD Single : A 131 CYS SG : rot 144:sc= -1.42! USER MOD Single : A 132 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS : no HD1:sc= -0.819 K(o=-0.82,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 60 -10.653 -4.526 4.462 1.00 0.29 N ATOM 139 CA LYS A 60 -10.058 -3.491 5.302 1.00 0.29 C ATOM 140 C LYS A 60 -8.954 -4.057 6.196 1.00 0.25 C ATOM 141 O LYS A 60 -7.815 -3.601 6.148 1.00 0.26 O ATOM 142 CB LYS A 60 -11.173 -2.852 6.153 1.00 0.37 C ATOM 143 CG LYS A 60 -10.731 -1.704 7.052 1.00 0.57 C ATOM 144 CD LYS A 60 -10.001 -2.186 8.288 1.00 0.43 C ATOM 145 CE LYS A 60 -9.681 -1.032 9.204 1.00 0.76 C ATOM 146 NZ LYS A 60 -9.023 0.082 8.470 1.00 1.62 N ATOM 0 HA LYS A 60 -9.594 -2.737 4.666 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.954 -2.488 5.485 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.621 -3.627 6.775 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -10.082 -1.034 6.488 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.604 -1.124 7.352 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.614 -2.917 8.816 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.080 -2.692 7.998 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -10.598 -0.671 9.669 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -9.029 -1.374 10.008 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -8.243 0.463 9.043 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.648 -0.271 7.566 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.717 0.835 8.286 1.00 1.62 H new ATOM 160 N LEU A 61 -9.295 -5.062 6.992 1.00 0.25 N ATOM 161 CA LEU A 61 -8.334 -5.694 7.873 1.00 0.25 C ATOM 162 C LEU A 61 -7.123 -6.167 7.112 1.00 0.26 C ATOM 163 O LEU A 61 -5.983 -5.909 7.499 1.00 0.30 O ATOM 164 CB LEU A 61 -8.951 -6.889 8.563 1.00 0.30 C ATOM 165 CG LEU A 61 -9.062 -6.758 10.076 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.248 -8.124 10.711 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.846 -6.037 10.650 1.00 0.63 C ATOM 0 H LEU A 61 -10.235 -5.455 7.042 1.00 0.25 H new ATOM 0 HA LEU A 61 -8.035 -4.946 8.608 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.947 -7.056 8.152 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.358 -7.773 8.330 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.939 -6.155 10.310 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.326 -8.015 11.793 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.159 -8.583 10.326 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.393 -8.756 10.471 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.949 -5.956 11.732 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.943 -6.600 10.412 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.776 -5.040 10.216 1.00 0.63 H new ATOM 179 N GLU A 62 -7.398 -6.867 6.033 1.00 0.25 N ATOM 180 CA GLU A 62 -6.388 -7.440 5.218 1.00 0.29 C ATOM 181 C GLU A 62 -5.455 -6.378 4.686 1.00 0.23 C ATOM 182 O GLU A 62 -4.243 -6.519 4.759 1.00 0.20 O ATOM 183 CB GLU A 62 -7.043 -8.183 4.079 1.00 0.39 C ATOM 184 CG GLU A 62 -6.411 -9.514 3.900 1.00 0.63 C ATOM 185 CD GLU A 62 -6.542 -10.077 2.502 1.00 1.48 C ATOM 186 OE1 GLU A 62 -5.895 -9.534 1.577 1.00 2.20 O ATOM 187 OE2 GLU A 62 -7.308 -11.037 2.310 1.00 1.98 O ATOM 0 H GLU A 62 -8.347 -7.048 5.706 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.794 -8.131 5.816 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.108 -8.303 4.279 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -6.954 -7.604 3.160 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -5.353 -9.439 4.152 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -6.858 -10.214 4.606 1.00 0.63 H new ATOM 194 N ASN A 63 -6.028 -5.308 4.178 1.00 0.22 N ATOM 195 CA ASN A 63 -5.263 -4.252 3.543 1.00 0.19 C ATOM 196 C ASN A 63 -4.424 -3.502 4.558 1.00 0.15 C ATOM 197 O ASN A 63 -3.250 -3.223 4.313 1.00 0.16 O ATOM 198 CB ASN A 63 -6.200 -3.298 2.812 1.00 0.21 C ATOM 199 CG ASN A 63 -6.886 -3.954 1.633 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.371 -4.900 1.054 1.00 0.33 O ATOM 201 ND2 ASN A 63 -8.053 -3.447 1.270 1.00 0.27 N ATOM 0 H ASN A 63 -7.035 -5.144 4.192 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.585 -4.705 2.820 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.953 -2.929 3.508 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.635 -2.433 2.465 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.559 -3.846 0.479 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.447 -2.657 1.781 1.00 0.27 H new ATOM 208 N GLU A 64 -5.028 -3.173 5.691 1.00 0.15 N ATOM 209 CA GLU A 64 -4.319 -2.646 6.819 1.00 0.16 C ATOM 210 C GLU A 64 -3.131 -3.516 7.169 1.00 0.14 C ATOM 211 O GLU A 64 -2.004 -3.041 7.293 1.00 0.17 O ATOM 212 CB GLU A 64 -5.289 -2.608 7.958 1.00 0.21 C ATOM 213 CG GLU A 64 -6.054 -1.321 8.015 1.00 0.30 C ATOM 214 CD GLU A 64 -6.466 -0.736 6.681 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.589 -0.204 5.979 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.644 -0.891 6.302 1.00 1.75 O ATOM 0 H GLU A 64 -6.032 -3.270 5.842 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.931 -1.652 6.597 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.988 -3.439 7.864 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.750 -2.749 8.895 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.952 -1.481 8.612 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.448 -0.584 8.541 1.00 0.30 H new ATOM 223 N LYS A 65 -3.411 -4.799 7.317 1.00 0.13 N ATOM 224 CA LYS A 65 -2.436 -5.767 7.663 1.00 0.14 C ATOM 225 C LYS A 65 -1.343 -5.846 6.609 1.00 0.12 C ATOM 226 O LYS A 65 -0.172 -5.659 6.916 1.00 0.14 O ATOM 227 CB LYS A 65 -3.128 -7.091 7.835 1.00 0.20 C ATOM 228 CG LYS A 65 -2.158 -8.210 7.903 1.00 0.44 C ATOM 229 CD LYS A 65 -2.581 -9.249 8.913 1.00 0.86 C ATOM 230 CE LYS A 65 -1.551 -10.362 9.046 1.00 1.32 C ATOM 231 NZ LYS A 65 -0.343 -9.932 9.806 1.00 1.93 N ATOM 0 H LYS A 65 -4.347 -5.185 7.193 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.949 -5.484 8.596 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.728 -7.073 8.745 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.814 -7.254 7.004 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -2.066 -8.673 6.920 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -1.174 -7.824 8.167 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -2.729 -8.774 9.883 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -3.540 -9.675 8.617 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -2.006 -11.217 9.547 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -1.252 -10.697 8.053 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 0.363 -10.696 9.797 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 0.061 -9.082 9.364 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -0.609 -9.718 10.789 1.00 1.93 H new ATOM 245 N LEU A 66 -1.745 -6.089 5.368 1.00 0.11 N ATOM 246 CA LEU A 66 -0.813 -6.210 4.254 1.00 0.10 C ATOM 247 C LEU A 66 0.053 -4.968 4.142 1.00 0.08 C ATOM 248 O LEU A 66 1.257 -5.060 3.906 1.00 0.08 O ATOM 249 CB LEU A 66 -1.575 -6.413 2.950 1.00 0.10 C ATOM 250 CG LEU A 66 -2.380 -7.704 2.852 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.299 -7.656 1.646 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.450 -8.896 2.763 1.00 0.17 C ATOM 0 H LEU A 66 -2.724 -6.208 5.106 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.173 -7.073 4.440 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.254 -5.571 2.812 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.862 -6.387 2.126 1.00 0.10 H new ATOM 0 HG LEU A 66 -2.990 -7.808 3.750 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.869 -8.583 1.586 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -3.984 -6.814 1.744 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.705 -7.536 0.740 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.038 -9.811 2.694 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.820 -8.801 1.878 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.822 -8.935 3.653 1.00 0.17 H new ATOM 264 N PHE A 67 -0.564 -3.807 4.315 1.00 0.07 N ATOM 265 CA PHE A 67 0.166 -2.559 4.306 1.00 0.06 C ATOM 266 C PHE A 67 1.265 -2.584 5.356 1.00 0.06 C ATOM 267 O PHE A 67 2.400 -2.232 5.071 1.00 0.07 O ATOM 268 CB PHE A 67 -0.765 -1.376 4.558 1.00 0.08 C ATOM 269 CG PHE A 67 -0.038 -0.069 4.526 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.789 0.228 3.463 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.168 0.848 5.552 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.482 1.426 3.419 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.516 2.045 5.514 1.00 0.12 C ATOM 274 CZ PHE A 67 1.343 2.332 4.446 1.00 0.09 C ATOM 0 H PHE A 67 -1.569 -3.710 4.463 1.00 0.07 H new ATOM 0 HA PHE A 67 0.614 -2.439 3.320 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.554 -1.370 3.806 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.249 -1.497 5.527 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.897 -0.482 2.656 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.811 0.625 6.391 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.128 1.648 2.583 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.405 2.757 6.318 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.881 3.268 4.416 1.00 0.09 H new ATOM 284 N GLU A 68 0.920 -3.014 6.561 1.00 0.08 N ATOM 285 CA GLU A 68 1.896 -3.123 7.636 1.00 0.09 C ATOM 286 C GLU A 68 2.947 -4.158 7.315 1.00 0.10 C ATOM 287 O GLU A 68 4.124 -3.946 7.559 1.00 0.12 O ATOM 288 CB GLU A 68 1.218 -3.494 8.922 1.00 0.14 C ATOM 289 CG GLU A 68 0.151 -2.519 9.284 1.00 0.21 C ATOM 290 CD GLU A 68 0.677 -1.138 9.642 1.00 0.87 C ATOM 291 OE1 GLU A 68 1.890 -1.003 9.891 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.132 -0.184 9.697 1.00 1.19 O ATOM 0 H GLU A 68 -0.027 -3.293 6.819 1.00 0.08 H new ATOM 0 HA GLU A 68 2.378 -2.151 7.742 1.00 0.09 H new ATOM 0 HB2 GLU A 68 0.785 -4.490 8.831 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.956 -3.539 9.723 1.00 0.14 H new ATOM 0 HG2 GLU A 68 -0.543 -2.428 8.449 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.416 -2.912 10.128 1.00 0.21 H new ATOM 299 N GLU A 69 2.510 -5.278 6.754 1.00 0.10 N ATOM 300 CA GLU A 69 3.423 -6.365 6.391 1.00 0.12 C ATOM 301 C GLU A 69 4.490 -5.837 5.445 1.00 0.11 C ATOM 302 O GLU A 69 5.676 -6.154 5.556 1.00 0.14 O ATOM 303 CB GLU A 69 2.674 -7.491 5.679 1.00 0.15 C ATOM 304 CG GLU A 69 1.451 -8.009 6.410 1.00 0.25 C ATOM 305 CD GLU A 69 1.779 -8.794 7.658 1.00 0.81 C ATOM 306 OE1 GLU A 69 2.267 -9.940 7.533 1.00 1.34 O ATOM 307 OE2 GLU A 69 1.577 -8.260 8.769 1.00 1.21 O ATOM 0 H GLU A 69 1.530 -5.462 6.539 1.00 0.10 H new ATOM 0 HA GLU A 69 3.872 -6.749 7.307 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.368 -7.138 4.694 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.362 -8.321 5.520 1.00 0.15 H new ATOM 0 HG2 GLU A 69 0.814 -7.166 6.678 1.00 0.25 H new ATOM 0 HG3 GLU A 69 0.875 -8.641 5.734 1.00 0.25 H new ATOM 314 N PHE A 70 4.033 -5.005 4.529 1.00 0.09 N ATOM 315 CA PHE A 70 4.862 -4.424 3.509 1.00 0.09 C ATOM 316 C PHE A 70 5.658 -3.269 4.105 1.00 0.08 C ATOM 317 O PHE A 70 6.834 -3.092 3.805 1.00 0.10 O ATOM 318 CB PHE A 70 3.961 -3.957 2.370 1.00 0.09 C ATOM 319 CG PHE A 70 4.664 -3.256 1.258 1.00 0.09 C ATOM 320 CD1 PHE A 70 4.873 -1.900 1.335 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.094 -3.943 0.134 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.501 -1.227 0.318 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.730 -3.274 -0.893 1.00 0.13 C ATOM 324 CZ PHE A 70 5.935 -1.911 -0.800 1.00 0.13 C ATOM 0 H PHE A 70 3.057 -4.713 4.478 1.00 0.09 H new ATOM 0 HA PHE A 70 5.574 -5.151 3.118 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.439 -4.822 1.962 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.202 -3.290 2.778 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.539 -1.357 2.207 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.931 -5.008 0.061 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.656 -0.161 0.392 1.00 0.14 H new ATOM 0 HE2 PHE A 70 6.066 -3.814 -1.766 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.433 -1.382 -1.599 1.00 0.13 H new ATOM 334 N LEU A 71 4.993 -2.484 4.947 1.00 0.07 N ATOM 335 CA LEU A 71 5.618 -1.387 5.654 1.00 0.08 C ATOM 336 C LEU A 71 6.783 -1.856 6.516 1.00 0.08 C ATOM 337 O LEU A 71 7.893 -1.344 6.396 1.00 0.09 O ATOM 338 CB LEU A 71 4.592 -0.651 6.504 1.00 0.09 C ATOM 339 CG LEU A 71 4.089 0.644 5.883 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.595 1.603 6.934 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.189 1.283 5.084 1.00 0.10 C ATOM 0 H LEU A 71 4.001 -2.597 5.155 1.00 0.07 H new ATOM 0 HA LEU A 71 6.019 -0.702 4.907 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.743 -1.310 6.682 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.033 -0.429 7.476 1.00 0.09 H new ATOM 0 HG LEU A 71 3.251 0.403 5.229 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.243 2.517 6.456 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.776 1.145 7.488 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.408 1.842 7.620 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.825 2.210 4.641 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.034 1.500 5.737 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.507 0.603 4.294 1.00 0.10 H new ATOM 353 N GLU A 72 6.515 -2.815 7.394 1.00 0.08 N ATOM 354 CA GLU A 72 7.564 -3.437 8.211 1.00 0.11 C ATOM 355 C GLU A 72 8.677 -3.943 7.322 1.00 0.09 C ATOM 356 O GLU A 72 9.856 -3.733 7.595 1.00 0.12 O ATOM 357 CB GLU A 72 7.016 -4.606 9.021 1.00 0.19 C ATOM 358 CG GLU A 72 5.864 -4.215 9.904 1.00 0.26 C ATOM 359 CD GLU A 72 6.251 -3.211 10.969 1.00 0.59 C ATOM 360 OE1 GLU A 72 7.253 -3.447 11.671 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.558 -2.184 11.108 1.00 1.13 O ATOM 0 H GLU A 72 5.579 -3.184 7.563 1.00 0.08 H new ATOM 0 HA GLU A 72 7.942 -2.679 8.897 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.695 -5.394 8.340 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.814 -5.022 9.636 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.068 -3.796 9.289 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.461 -5.107 10.383 1.00 0.26 H new ATOM 368 N LEU A 73 8.276 -4.626 6.261 1.00 0.10 N ATOM 369 CA LEU A 73 9.207 -5.085 5.238 1.00 0.11 C ATOM 370 C LEU A 73 10.073 -3.935 4.758 1.00 0.10 C ATOM 371 O LEU A 73 11.294 -4.044 4.739 1.00 0.12 O ATOM 372 CB LEU A 73 8.443 -5.681 4.053 1.00 0.14 C ATOM 373 CG LEU A 73 9.303 -6.122 2.867 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.946 -7.469 3.132 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.476 -6.166 1.595 1.00 0.46 C ATOM 0 H LEU A 73 7.303 -4.877 6.084 1.00 0.10 H new ATOM 0 HA LEU A 73 9.845 -5.853 5.675 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.874 -6.541 4.406 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.721 -4.944 3.701 1.00 0.14 H new ATOM 0 HG LEU A 73 10.099 -5.389 2.737 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.551 -7.758 2.273 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.579 -7.402 4.017 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.170 -8.216 3.297 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.105 -6.482 0.763 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.656 -6.873 1.719 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.072 -5.175 1.389 1.00 0.46 H new ATOM 387 N CYS A 74 9.441 -2.827 4.400 1.00 0.09 N ATOM 388 CA CYS A 74 10.179 -1.655 3.954 1.00 0.10 C ATOM 389 C CYS A 74 11.131 -1.182 5.046 1.00 0.11 C ATOM 390 O CYS A 74 12.287 -0.917 4.774 1.00 0.14 O ATOM 391 CB CYS A 74 9.237 -0.527 3.543 1.00 0.10 C ATOM 392 SG CYS A 74 8.129 -0.968 2.193 1.00 0.11 S ATOM 0 H CYS A 74 8.427 -2.715 4.409 1.00 0.09 H new ATOM 0 HA CYS A 74 10.761 -1.939 3.077 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.643 -0.228 4.407 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.829 0.340 3.248 1.00 0.10 H new ATOM 0 HG CYS A 74 7.313 -1.900 2.588 1.00 0.11 H new ATOM 398 N LYS A 75 10.667 -1.148 6.295 1.00 0.11 N ATOM 399 CA LYS A 75 11.514 -0.739 7.415 1.00 0.12 C ATOM 400 C LYS A 75 12.747 -1.636 7.512 1.00 0.13 C ATOM 401 O LYS A 75 13.750 -1.272 8.123 1.00 0.16 O ATOM 402 CB LYS A 75 10.723 -0.816 8.721 1.00 0.13 C ATOM 403 CG LYS A 75 9.486 0.045 8.735 1.00 0.18 C ATOM 404 CD LYS A 75 8.637 -0.255 9.949 1.00 0.20 C ATOM 405 CE LYS A 75 7.343 0.523 9.912 1.00 0.30 C ATOM 406 NZ LYS A 75 6.488 0.250 11.096 1.00 0.32 N ATOM 0 H LYS A 75 9.713 -1.398 6.556 1.00 0.11 H new ATOM 0 HA LYS A 75 11.838 0.288 7.245 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.435 -1.852 8.900 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.371 -0.518 9.545 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.770 1.097 8.735 1.00 0.18 H new ATOM 0 HG3 LYS A 75 8.906 -0.129 7.828 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.422 -1.323 9.992 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.190 -0.005 10.854 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.564 1.589 9.864 1.00 0.30 H new ATOM 0 HE3 LYS A 75 6.795 0.270 9.004 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 5.652 0.868 11.070 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.184 -0.745 11.083 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.029 0.436 11.965 1.00 0.32 H new ATOM 420 N MET A 76 12.654 -2.813 6.906 1.00 0.12 N ATOM 421 CA MET A 76 13.745 -3.770 6.902 1.00 0.13 C ATOM 422 C MET A 76 14.696 -3.537 5.730 1.00 0.14 C ATOM 423 O MET A 76 15.912 -3.622 5.890 1.00 0.16 O ATOM 424 CB MET A 76 13.186 -5.194 6.849 1.00 0.14 C ATOM 425 CG MET A 76 12.380 -5.570 8.078 1.00 0.15 C ATOM 426 SD MET A 76 12.067 -7.341 8.198 1.00 0.21 S ATOM 427 CE MET A 76 10.966 -7.589 6.812 1.00 0.40 C ATOM 0 H MET A 76 11.822 -3.127 6.406 1.00 0.12 H new ATOM 0 HA MET A 76 14.314 -3.634 7.822 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.556 -5.297 5.965 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.012 -5.897 6.736 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.912 -5.239 8.970 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.428 -5.039 8.059 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.839 -8.657 6.635 1.00 0.40 H new ATOM 0 HE2 MET A 76 9.998 -7.140 7.032 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.389 -7.122 5.923 1.00 0.40 H new ATOM 437 N GLN A 77 14.156 -3.232 4.553 1.00 0.14 N ATOM 438 CA GLN A 77 14.978 -3.114 3.358 1.00 0.15 C ATOM 439 C GLN A 77 15.255 -1.663 2.959 1.00 0.16 C ATOM 440 O GLN A 77 16.124 -1.410 2.126 1.00 0.22 O ATOM 441 CB GLN A 77 14.337 -3.851 2.181 1.00 0.19 C ATOM 442 CG GLN A 77 12.971 -4.452 2.453 1.00 0.21 C ATOM 443 CD GLN A 77 12.920 -5.927 2.132 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.660 -6.324 0.998 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.130 -6.747 3.143 1.00 0.25 N ATOM 0 H GLN A 77 13.161 -3.064 4.404 1.00 0.14 H new ATOM 0 HA GLN A 77 15.935 -3.573 3.607 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.250 -3.157 1.345 1.00 0.19 H new ATOM 0 HB3 GLN A 77 15.009 -4.649 1.865 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.712 -4.301 3.501 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.221 -3.927 1.861 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.343 -6.373 4.068 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.080 -7.756 3.000 1.00 0.25 H new ATOM 454 N THR A 78 14.547 -0.706 3.545 1.00 0.17 N ATOM 455 CA THR A 78 14.718 0.690 3.161 1.00 0.22 C ATOM 456 C THR A 78 15.366 1.486 4.282 1.00 0.30 C ATOM 457 O THR A 78 14.906 2.571 4.622 1.00 0.32 O ATOM 458 CB THR A 78 13.388 1.390 2.765 1.00 0.17 C ATOM 459 OG1 THR A 78 12.519 1.522 3.893 1.00 0.14 O ATOM 460 CG2 THR A 78 12.665 0.634 1.668 1.00 0.22 C ATOM 0 H THR A 78 13.857 -0.867 4.279 1.00 0.17 H new ATOM 0 HA THR A 78 15.362 0.670 2.282 1.00 0.22 H new ATOM 0 HB THR A 78 13.653 2.381 2.395 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.606 0.732 4.467 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.740 1.153 1.417 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.301 0.579 0.784 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.434 -0.374 2.012 1.00 0.22 H new ATOM 468 N ALA A 79 16.423 0.952 4.874 1.00 0.38 N ATOM 469 CA ALA A 79 17.168 1.679 5.896 1.00 0.50 C ATOM 470 C ALA A 79 17.732 2.986 5.353 1.00 0.52 C ATOM 471 O ALA A 79 17.914 3.955 6.092 1.00 0.55 O ATOM 472 CB ALA A 79 18.292 0.813 6.417 1.00 0.67 C ATOM 0 H ALA A 79 16.785 0.021 4.667 1.00 0.38 H new ATOM 0 HA ALA A 79 16.481 1.922 6.707 1.00 0.50 H new ATOM 0 HB1 ALA A 79 18.847 1.358 7.180 1.00 0.67 H new ATOM 0 HB2 ALA A 79 17.879 -0.098 6.850 1.00 0.67 H new ATOM 0 HB3 ALA A 79 18.962 0.554 5.597 1.00 0.67 H new ATOM 478 N ASP A 80 18.008 3.006 4.057 1.00 0.53 N ATOM 479 CA ASP A 80 18.537 4.195 3.411 1.00 0.57 C ATOM 480 C ASP A 80 17.414 5.190 3.173 1.00 0.52 C ATOM 481 O ASP A 80 17.636 6.387 2.992 1.00 0.57 O ATOM 482 CB ASP A 80 19.201 3.825 2.083 1.00 0.65 C ATOM 483 CG ASP A 80 19.888 5.000 1.422 1.00 1.21 C ATOM 484 OD1 ASP A 80 21.053 5.284 1.767 1.00 1.94 O ATOM 485 OD2 ASP A 80 19.261 5.652 0.563 1.00 1.46 O ATOM 0 H ASP A 80 17.874 2.211 3.433 1.00 0.53 H new ATOM 0 HA ASP A 80 19.286 4.648 4.060 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.931 3.034 2.255 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.448 3.422 1.406 1.00 0.65 H new ATOM 490 N HIS A 81 16.199 4.677 3.201 1.00 0.43 N ATOM 491 CA HIS A 81 15.016 5.496 2.988 1.00 0.38 C ATOM 492 C HIS A 81 13.964 5.209 4.045 1.00 0.29 C ATOM 493 O HIS A 81 12.893 4.692 3.739 1.00 0.23 O ATOM 494 CB HIS A 81 14.435 5.276 1.582 1.00 0.41 C ATOM 495 CG HIS A 81 15.261 5.909 0.501 1.00 0.61 C ATOM 496 ND1 HIS A 81 15.111 7.223 0.099 1.00 0.99 N ATOM 497 CD2 HIS A 81 16.270 5.404 -0.247 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.992 7.492 -0.847 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.708 6.406 -1.076 1.00 0.86 N ATOM 0 H HIS A 81 16.002 3.691 3.370 1.00 0.43 H new ATOM 0 HA HIS A 81 15.316 6.540 3.072 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.355 4.206 1.391 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.424 5.683 1.545 1.00 0.41 H new ATOM 0 HD1 HIS A 81 14.428 7.881 0.474 1.00 0.99 H new ATOM 0 HD2 HIS A 81 16.659 4.398 -0.200 1.00 0.70 H new ATOM 0 HE1 HIS A 81 16.108 8.441 -1.349 1.00 1.08 H new ATOM 508 N PRO A 82 14.249 5.555 5.312 1.00 0.32 N ATOM 509 CA PRO A 82 13.300 5.367 6.405 1.00 0.29 C ATOM 510 C PRO A 82 12.112 6.304 6.264 1.00 0.26 C ATOM 511 O PRO A 82 11.127 6.195 6.981 1.00 0.29 O ATOM 512 CB PRO A 82 14.110 5.700 7.653 1.00 0.38 C ATOM 513 CG PRO A 82 15.221 6.569 7.188 1.00 0.44 C ATOM 514 CD PRO A 82 15.511 6.163 5.775 1.00 0.41 C ATOM 0 HA PRO A 82 12.883 4.360 6.429 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.496 6.212 8.394 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.492 4.795 8.126 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.940 7.621 7.240 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.102 6.443 7.817 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.789 7.021 5.162 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.337 5.454 5.725 1.00 0.41 H new ATOM 522 N GLU A 83 12.243 7.219 5.315 1.00 0.23 N ATOM 523 CA GLU A 83 11.204 8.174 4.955 1.00 0.21 C ATOM 524 C GLU A 83 10.118 7.494 4.133 1.00 0.17 C ATOM 525 O GLU A 83 8.987 7.969 4.046 1.00 0.18 O ATOM 526 CB GLU A 83 11.845 9.264 4.110 1.00 0.28 C ATOM 527 CG GLU A 83 12.419 8.682 2.841 1.00 0.46 C ATOM 528 CD GLU A 83 13.534 9.495 2.225 1.00 0.55 C ATOM 529 OE1 GLU A 83 14.280 10.152 2.975 1.00 1.01 O ATOM 530 OE2 GLU A 83 13.684 9.449 0.987 1.00 0.95 O ATOM 0 H GLU A 83 13.093 7.321 4.761 1.00 0.23 H new ATOM 0 HA GLU A 83 10.755 8.585 5.859 1.00 0.21 H new ATOM 0 HB2 GLU A 83 11.104 10.025 3.865 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.633 9.757 4.679 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.792 7.680 3.052 1.00 0.46 H new ATOM 0 HG3 GLU A 83 11.617 8.576 2.110 1.00 0.46 H new ATOM 537 N VAL A 84 10.494 6.388 3.524 1.00 0.15 N ATOM 538 CA VAL A 84 9.641 5.667 2.613 1.00 0.14 C ATOM 539 C VAL A 84 8.409 5.128 3.317 1.00 0.11 C ATOM 540 O VAL A 84 7.315 5.148 2.767 1.00 0.11 O ATOM 541 CB VAL A 84 10.458 4.550 1.938 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.656 3.299 1.734 1.00 0.16 C ATOM 543 CG2 VAL A 84 11.025 5.045 0.621 1.00 0.21 C ATOM 0 H VAL A 84 11.412 5.963 3.652 1.00 0.15 H new ATOM 0 HA VAL A 84 9.277 6.347 1.843 1.00 0.14 H new ATOM 0 HB VAL A 84 11.278 4.292 2.609 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.277 2.542 1.255 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.310 2.927 2.699 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.797 3.517 1.100 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.601 4.248 0.151 1.00 0.21 H new ATOM 0 HG22 VAL A 84 10.209 5.340 -0.038 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.673 5.903 0.803 1.00 0.21 H new ATOM 553 N VAL A 85 8.590 4.675 4.541 1.00 0.09 N ATOM 554 CA VAL A 85 7.486 4.208 5.345 1.00 0.09 C ATOM 555 C VAL A 85 6.506 5.329 5.691 1.00 0.10 C ATOM 556 O VAL A 85 5.321 5.193 5.441 1.00 0.10 O ATOM 557 CB VAL A 85 8.002 3.525 6.608 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.882 3.309 7.600 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.685 2.229 6.222 1.00 0.11 C ATOM 0 H VAL A 85 9.499 4.621 5.001 1.00 0.09 H new ATOM 0 HA VAL A 85 6.934 3.480 4.751 1.00 0.09 H new ATOM 0 HB VAL A 85 8.732 4.165 7.103 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.275 2.821 8.492 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.448 4.271 7.874 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.114 2.680 7.150 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.058 1.733 7.118 1.00 0.11 H new ATOM 0 HG22 VAL A 85 7.971 1.578 5.717 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.518 2.442 5.552 1.00 0.11 H new ATOM 569 N PRO A 86 6.968 6.435 6.289 1.00 0.12 N ATOM 570 CA PRO A 86 6.136 7.615 6.498 1.00 0.14 C ATOM 571 C PRO A 86 5.447 8.069 5.211 1.00 0.14 C ATOM 572 O PRO A 86 4.300 8.498 5.237 1.00 0.18 O ATOM 573 CB PRO A 86 7.096 8.698 6.977 1.00 0.18 C ATOM 574 CG PRO A 86 8.417 8.044 7.191 1.00 0.18 C ATOM 575 CD PRO A 86 8.297 6.585 6.862 1.00 0.14 C ATOM 0 HA PRO A 86 5.339 7.404 7.211 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.176 9.497 6.239 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.736 9.152 7.900 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.175 8.511 6.562 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.738 8.172 8.225 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.068 6.275 6.157 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.414 5.969 7.753 1.00 0.14 H new ATOM 583 N PHE A 87 6.158 7.954 4.090 1.00 0.13 N ATOM 584 CA PHE A 87 5.632 8.314 2.776 1.00 0.14 C ATOM 585 C PHE A 87 4.556 7.322 2.366 1.00 0.12 C ATOM 586 O PHE A 87 3.537 7.681 1.769 1.00 0.12 O ATOM 587 CB PHE A 87 6.780 8.288 1.760 1.00 0.18 C ATOM 588 CG PHE A 87 6.437 8.789 0.384 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.218 9.382 0.126 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.353 8.671 -0.648 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.911 9.849 -1.134 1.00 0.43 C ATOM 592 CE2 PHE A 87 7.053 9.132 -1.912 1.00 1.01 C ATOM 593 CZ PHE A 87 5.830 9.723 -2.156 1.00 0.69 C ATOM 0 H PHE A 87 7.117 7.608 4.069 1.00 0.13 H new ATOM 0 HA PHE A 87 5.195 9.312 2.812 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.602 8.887 2.151 1.00 0.18 H new ATOM 0 HB3 PHE A 87 7.144 7.264 1.675 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.495 9.482 0.922 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.313 8.213 -0.460 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.954 10.312 -1.321 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.774 9.031 -2.710 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.592 10.086 -3.145 1.00 0.69 H new ATOM 603 N LEU A 88 4.774 6.085 2.757 1.00 0.10 N ATOM 604 CA LEU A 88 3.878 5.006 2.433 1.00 0.09 C ATOM 605 C LEU A 88 2.649 5.158 3.279 1.00 0.08 C ATOM 606 O LEU A 88 1.511 5.113 2.804 1.00 0.09 O ATOM 607 CB LEU A 88 4.543 3.682 2.771 1.00 0.09 C ATOM 608 CG LEU A 88 5.051 2.883 1.592 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.892 1.733 2.080 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.893 2.365 0.775 1.00 0.10 C ATOM 0 H LEU A 88 5.583 5.802 3.311 1.00 0.10 H new ATOM 0 HA LEU A 88 3.626 5.027 1.373 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.380 3.878 3.441 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.830 3.069 3.322 1.00 0.09 H new ATOM 0 HG LEU A 88 5.661 3.531 0.962 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.256 1.160 1.227 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.740 2.117 2.647 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.290 1.088 2.720 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.272 1.791 -0.071 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.267 1.724 1.396 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.302 3.204 0.408 1.00 0.10 H new ATOM 622 N TYR A 89 2.925 5.367 4.554 1.00 0.08 N ATOM 623 CA TYR A 89 1.924 5.512 5.560 1.00 0.09 C ATOM 624 C TYR A 89 1.022 6.673 5.217 1.00 0.09 C ATOM 625 O TYR A 89 -0.187 6.551 5.207 1.00 0.11 O ATOM 626 CB TYR A 89 2.607 5.777 6.901 1.00 0.10 C ATOM 627 CG TYR A 89 2.264 4.772 7.941 1.00 0.13 C ATOM 628 CD1 TYR A 89 0.975 4.336 8.056 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.222 4.256 8.793 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.617 3.404 8.985 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.887 3.317 9.739 1.00 0.20 C ATOM 632 CZ TYR A 89 1.577 2.886 9.834 1.00 0.22 C ATOM 633 OH TYR A 89 1.232 1.938 10.771 1.00 0.27 O ATOM 0 H TYR A 89 3.877 5.440 4.912 1.00 0.08 H new ATOM 0 HA TYR A 89 1.327 4.602 5.619 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.687 5.786 6.756 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.325 6.768 7.256 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.221 4.739 7.396 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.245 4.594 8.715 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.409 3.073 9.057 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.641 2.919 10.402 1.00 0.20 H new ATOM 0 HH TYR A 89 0.680 1.247 10.349 1.00 0.27 H new ATOM 643 N ASN A 90 1.656 7.787 4.916 1.00 0.09 N ATOM 644 CA ASN A 90 0.989 9.010 4.506 1.00 0.09 C ATOM 645 C ASN A 90 -0.013 8.759 3.399 1.00 0.09 C ATOM 646 O ASN A 90 -1.196 9.048 3.554 1.00 0.10 O ATOM 647 CB ASN A 90 2.077 9.978 4.051 1.00 0.11 C ATOM 648 CG ASN A 90 1.629 11.025 3.064 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.971 11.997 3.417 1.00 0.43 O ATOM 650 ND2 ASN A 90 2.039 10.847 1.819 1.00 0.40 N ATOM 0 H ASN A 90 2.672 7.872 4.950 1.00 0.09 H new ATOM 0 HA ASN A 90 0.420 9.426 5.338 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.486 10.479 4.928 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.889 9.404 3.605 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.809 11.536 1.103 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.585 10.021 1.575 1.00 0.40 H new ATOM 657 N ARG A 91 0.465 8.203 2.301 1.00 0.08 N ATOM 658 CA ARG A 91 -0.384 7.909 1.152 1.00 0.10 C ATOM 659 C ARG A 91 -1.570 7.041 1.551 1.00 0.09 C ATOM 660 O ARG A 91 -2.689 7.271 1.111 1.00 0.11 O ATOM 661 CB ARG A 91 0.434 7.215 0.066 1.00 0.13 C ATOM 662 CG ARG A 91 1.415 8.136 -0.623 1.00 0.16 C ATOM 663 CD ARG A 91 0.685 9.225 -1.386 1.00 0.29 C ATOM 664 NE ARG A 91 1.590 10.299 -1.800 1.00 0.88 N ATOM 665 CZ ARG A 91 1.208 11.548 -2.076 1.00 1.05 C ATOM 666 NH1 ARG A 91 -0.072 11.899 -1.984 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.106 12.454 -2.437 1.00 1.64 N ATOM 0 H ARG A 91 1.443 7.943 2.177 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.772 8.851 0.765 1.00 0.10 H new ATOM 0 HB2 ARG A 91 0.978 6.381 0.508 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.244 6.795 -0.677 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.079 8.585 0.115 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.040 7.563 -1.307 1.00 0.16 H new ATOM 0 HD2 ARG A 91 0.206 8.794 -2.265 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.107 9.638 -0.761 1.00 0.29 H new ATOM 0 HE ARG A 91 2.582 10.077 -1.883 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -0.770 11.212 -1.701 1.00 1.35 H new ATOM 0 HH12 ARG A 91 -0.355 12.856 -2.197 1.00 1.35 H new ATOM 0 HH21 ARG A 91 3.091 12.197 -2.504 1.00 1.64 H new ATOM 0 HH22 ARG A 91 1.812 13.408 -2.647 1.00 1.64 H new ATOM 681 N GLN A 92 -1.311 6.058 2.401 1.00 0.09 N ATOM 682 CA GLN A 92 -2.338 5.122 2.834 1.00 0.12 C ATOM 683 C GLN A 92 -3.292 5.786 3.820 1.00 0.11 C ATOM 684 O GLN A 92 -4.508 5.630 3.735 1.00 0.13 O ATOM 685 CB GLN A 92 -1.667 3.904 3.470 1.00 0.18 C ATOM 686 CG GLN A 92 -2.474 2.631 3.340 1.00 0.35 C ATOM 687 CD GLN A 92 -3.322 2.319 4.555 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.732 3.201 5.309 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.584 1.046 4.746 1.00 0.36 N ATOM 0 H GLN A 92 -0.391 5.887 2.807 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.923 4.804 1.971 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.691 3.755 3.008 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.491 4.107 4.527 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -3.122 2.710 2.467 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.795 1.798 3.159 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.224 0.348 4.095 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.148 0.756 5.545 1.00 0.36 H new ATOM 698 N GLN A 93 -2.718 6.539 4.741 1.00 0.12 N ATOM 699 CA GLN A 93 -3.475 7.277 5.743 1.00 0.14 C ATOM 700 C GLN A 93 -4.419 8.279 5.086 1.00 0.16 C ATOM 701 O GLN A 93 -5.536 8.505 5.557 1.00 0.20 O ATOM 702 CB GLN A 93 -2.514 8.007 6.694 1.00 0.15 C ATOM 703 CG GLN A 93 -1.798 7.092 7.670 1.00 0.15 C ATOM 704 CD GLN A 93 -2.742 6.203 8.438 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.248 6.573 9.496 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.969 5.021 7.910 1.00 0.22 N ATOM 0 H GLN A 93 -1.708 6.658 4.817 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.074 6.565 6.312 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.771 8.543 6.103 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.074 8.754 7.256 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.086 6.473 7.125 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.223 7.696 8.372 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.524 4.762 7.029 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.590 4.363 8.381 1.00 0.22 H new ATOM 715 N ARG A 94 -3.958 8.883 4.001 1.00 0.14 N ATOM 716 CA ARG A 94 -4.743 9.877 3.288 1.00 0.15 C ATOM 717 C ARG A 94 -5.509 9.268 2.121 1.00 0.14 C ATOM 718 O ARG A 94 -6.180 9.975 1.359 1.00 0.19 O ATOM 719 CB ARG A 94 -3.828 10.989 2.817 1.00 0.21 C ATOM 720 CG ARG A 94 -2.907 10.615 1.686 1.00 0.76 C ATOM 721 CD ARG A 94 -1.648 11.457 1.750 1.00 0.64 C ATOM 722 NE ARG A 94 -1.951 12.867 2.019 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.190 13.891 1.638 1.00 1.04 C ATOM 724 NH1 ARG A 94 -0.092 13.687 0.927 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.531 15.126 1.977 1.00 1.40 N ATOM 0 H ARG A 94 -3.040 8.700 3.595 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.489 10.284 3.971 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.440 11.835 2.504 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.226 11.326 3.661 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.652 9.557 1.747 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.409 10.767 0.730 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -0.991 11.071 2.530 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -1.107 11.375 0.807 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.805 13.078 2.535 1.00 0.86 H new ATOM 0 HH11 ARG A 94 0.178 12.739 0.666 1.00 1.60 H new ATOM 0 HH12 ARG A 94 0.484 14.478 0.640 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.374 15.289 2.528 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -0.951 15.913 1.687 1.00 1.40 H new ATOM 739 N ALA A 95 -5.409 7.961 1.987 1.00 0.12 N ATOM 740 CA ALA A 95 -6.158 7.239 0.969 1.00 0.12 C ATOM 741 C ALA A 95 -7.601 7.032 1.416 1.00 0.13 C ATOM 742 O ALA A 95 -7.932 7.206 2.591 1.00 0.17 O ATOM 743 CB ALA A 95 -5.502 5.900 0.654 1.00 0.13 C ATOM 0 H ALA A 95 -4.815 7.372 2.571 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.156 7.839 0.059 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.082 5.381 -0.109 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.489 6.068 0.288 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.465 5.291 1.558 1.00 0.13 H new ATOM 749 N HIS A 96 -8.456 6.677 0.471 1.00 0.12 N ATOM 750 CA HIS A 96 -9.874 6.491 0.741 1.00 0.13 C ATOM 751 C HIS A 96 -10.093 5.256 1.591 1.00 0.13 C ATOM 752 O HIS A 96 -9.675 4.170 1.219 1.00 0.12 O ATOM 753 CB HIS A 96 -10.630 6.333 -0.570 1.00 0.14 C ATOM 754 CG HIS A 96 -12.066 6.735 -0.483 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.904 6.187 0.452 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.752 7.640 -1.217 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.076 6.766 0.268 1.00 0.23 C ATOM 758 NE2 HIS A 96 -14.034 7.656 -0.732 1.00 0.25 N ATOM 0 H HIS A 96 -8.190 6.510 -0.499 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.242 7.365 1.278 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.139 6.932 -1.337 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.571 5.293 -0.891 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.364 8.236 -2.030 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.959 6.549 0.851 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.805 8.233 -1.067 1.00 0.25 H new ATOM 766 N SER A 97 -10.744 5.444 2.735 1.00 0.16 N ATOM 767 CA SER A 97 -11.075 4.344 3.631 1.00 0.20 C ATOM 768 C SER A 97 -11.829 3.236 2.896 1.00 0.18 C ATOM 769 O SER A 97 -11.644 2.058 3.190 1.00 0.18 O ATOM 770 CB SER A 97 -11.902 4.867 4.809 1.00 0.29 C ATOM 771 OG SER A 97 -11.919 3.939 5.882 1.00 1.32 O ATOM 0 H SER A 97 -11.055 6.358 3.065 1.00 0.16 H new ATOM 0 HA SER A 97 -10.146 3.916 4.007 1.00 0.20 H new ATOM 0 HB2 SER A 97 -11.489 5.815 5.153 1.00 0.29 H new ATOM 0 HB3 SER A 97 -12.922 5.064 4.480 1.00 0.29 H new ATOM 0 HG SER A 97 -12.453 4.301 6.619 1.00 1.32 H new ATOM 777 N LEU A 98 -12.685 3.614 1.944 1.00 0.18 N ATOM 778 CA LEU A 98 -13.359 2.643 1.088 1.00 0.18 C ATOM 779 C LEU A 98 -12.366 1.848 0.267 1.00 0.15 C ATOM 780 O LEU A 98 -12.504 0.640 0.105 1.00 0.18 O ATOM 781 CB LEU A 98 -14.299 3.348 0.127 1.00 0.21 C ATOM 782 CG LEU A 98 -15.648 3.754 0.693 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.519 4.290 -0.424 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.320 2.580 1.384 1.00 0.61 C ATOM 0 H LEU A 98 -12.926 4.586 1.749 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.913 1.971 1.743 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.800 4.242 -0.247 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.468 2.695 -0.729 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.501 4.535 1.439 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.489 4.582 -0.021 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.038 5.157 -0.877 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.658 3.517 -1.180 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.285 2.895 1.781 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.469 1.773 0.667 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.689 2.228 2.200 1.00 0.61 H new ATOM 796 N PHE A 99 -11.380 2.549 -0.251 1.00 0.12 N ATOM 797 CA PHE A 99 -10.340 1.933 -1.059 1.00 0.11 C ATOM 798 C PHE A 99 -9.444 1.061 -0.187 1.00 0.11 C ATOM 799 O PHE A 99 -9.062 -0.043 -0.571 1.00 0.12 O ATOM 800 CB PHE A 99 -9.506 2.998 -1.766 1.00 0.12 C ATOM 801 CG PHE A 99 -8.272 2.444 -2.406 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.374 1.533 -3.435 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.015 2.830 -1.972 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.245 1.008 -4.028 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.880 2.310 -2.560 1.00 0.20 C ATOM 806 CZ PHE A 99 -5.995 1.397 -3.590 1.00 0.18 C ATOM 0 H PHE A 99 -11.274 3.556 -0.127 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.816 1.308 -1.815 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.117 3.484 -2.527 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.222 3.766 -1.047 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.350 1.226 -3.781 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.922 3.544 -1.167 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.339 0.294 -4.833 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.903 2.616 -2.215 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.109 0.988 -4.052 1.00 0.18 H new ATOM 816 N LEU A 100 -9.120 1.566 0.987 1.00 0.12 N ATOM 817 CA LEU A 100 -8.342 0.817 1.962 1.00 0.14 C ATOM 818 C LEU A 100 -9.098 -0.426 2.399 1.00 0.16 C ATOM 819 O LEU A 100 -8.514 -1.377 2.899 1.00 0.21 O ATOM 820 CB LEU A 100 -8.042 1.699 3.165 1.00 0.17 C ATOM 821 CG LEU A 100 -7.396 3.025 2.821 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.513 3.980 3.988 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.950 2.804 2.442 1.00 0.22 C ATOM 0 H LEU A 100 -9.386 2.502 1.294 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.403 0.507 1.503 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.971 1.890 3.702 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.387 1.155 3.845 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.912 3.469 1.970 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -7.045 4.930 3.729 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.565 4.145 4.219 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -7.013 3.554 4.858 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.488 3.760 2.195 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.420 2.350 3.279 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.897 2.142 1.578 1.00 0.22 H new ATOM 835 N ALA A 101 -10.407 -0.410 2.217 1.00 0.16 N ATOM 836 CA ALA A 101 -11.224 -1.573 2.506 1.00 0.19 C ATOM 837 C ALA A 101 -11.724 -2.224 1.220 1.00 0.21 C ATOM 838 O ALA A 101 -12.593 -3.097 1.255 1.00 0.37 O ATOM 839 CB ALA A 101 -12.400 -1.181 3.387 1.00 0.23 C ATOM 0 H ALA A 101 -10.926 0.397 1.870 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.608 -2.299 3.037 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -13.006 -2.062 3.598 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -12.030 -0.763 4.323 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -13.008 -0.437 2.873 1.00 0.23 H new ATOM 845 N SER A 102 -11.170 -1.812 0.084 1.00 0.13 N ATOM 846 CA SER A 102 -11.629 -2.318 -1.202 1.00 0.15 C ATOM 847 C SER A 102 -10.784 -3.499 -1.661 1.00 0.17 C ATOM 848 O SER A 102 -9.650 -3.692 -1.211 1.00 0.25 O ATOM 849 CB SER A 102 -11.608 -1.207 -2.255 1.00 0.18 C ATOM 850 OG SER A 102 -10.285 -0.907 -2.668 1.00 1.40 O ATOM 0 H SER A 102 -10.409 -1.135 0.029 1.00 0.13 H new ATOM 0 HA SER A 102 -12.655 -2.664 -1.079 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.200 -1.511 -3.118 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.076 -0.310 -1.849 1.00 0.18 H new ATOM 0 HG SER A 102 -9.702 -0.850 -1.882 1.00 1.40 H new ATOM 856 N ALA A 103 -11.367 -4.295 -2.543 1.00 0.20 N ATOM 857 CA ALA A 103 -10.696 -5.445 -3.123 1.00 0.21 C ATOM 858 C ALA A 103 -9.439 -5.041 -3.882 1.00 0.18 C ATOM 859 O ALA A 103 -8.430 -5.744 -3.847 1.00 0.19 O ATOM 860 CB ALA A 103 -11.647 -6.167 -4.052 1.00 0.27 C ATOM 0 H ALA A 103 -12.321 -4.161 -2.877 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.394 -6.106 -2.310 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -11.144 -7.030 -4.488 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.520 -6.500 -3.491 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.962 -5.491 -4.847 1.00 0.27 H new ATOM 866 N GLU A 104 -9.516 -3.917 -4.581 1.00 0.17 N ATOM 867 CA GLU A 104 -8.407 -3.434 -5.390 1.00 0.17 C ATOM 868 C GLU A 104 -7.129 -3.279 -4.573 1.00 0.14 C ATOM 869 O GLU A 104 -6.060 -3.698 -5.012 1.00 0.14 O ATOM 870 CB GLU A 104 -8.754 -2.102 -6.017 1.00 0.22 C ATOM 871 CG GLU A 104 -7.815 -1.708 -7.134 1.00 0.30 C ATOM 872 CD GLU A 104 -8.007 -2.541 -8.384 1.00 0.97 C ATOM 873 OE1 GLU A 104 -7.417 -3.640 -8.475 1.00 1.70 O ATOM 874 OE2 GLU A 104 -8.739 -2.099 -9.291 1.00 1.29 O ATOM 0 H GLU A 104 -10.342 -3.319 -4.603 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.231 -4.179 -6.166 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.772 -2.144 -6.404 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.737 -1.330 -5.248 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -7.968 -0.656 -7.377 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -6.786 -1.809 -6.790 1.00 0.30 H new ATOM 881 N PHE A 105 -7.228 -2.681 -3.389 1.00 0.13 N ATOM 882 CA PHE A 105 -6.050 -2.469 -2.560 1.00 0.13 C ATOM 883 C PHE A 105 -5.481 -3.810 -2.130 1.00 0.12 C ATOM 884 O PHE A 105 -4.270 -3.985 -2.083 1.00 0.13 O ATOM 885 CB PHE A 105 -6.389 -1.615 -1.333 1.00 0.13 C ATOM 886 CG PHE A 105 -5.174 -1.084 -0.623 1.00 0.12 C ATOM 887 CD1 PHE A 105 -4.021 -0.812 -1.335 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.182 -0.847 0.748 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.899 -0.315 -0.705 1.00 0.13 C ATOM 890 CE2 PHE A 105 -4.059 -0.350 1.383 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.917 -0.084 0.651 1.00 0.14 C ATOM 0 H PHE A 105 -8.101 -2.339 -2.988 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.304 -1.932 -3.145 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -7.015 -0.778 -1.643 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.977 -2.211 -0.635 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.998 -0.991 -2.400 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -6.074 -1.053 1.321 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -2.006 -0.107 -1.276 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -4.074 -0.170 2.448 1.00 0.15 H new ATOM 0 HZ PHE A 105 -2.038 0.305 1.144 1.00 0.14 H new ATOM 901 N CYS A 106 -6.368 -4.759 -1.858 1.00 0.13 N ATOM 902 CA CYS A 106 -5.966 -6.114 -1.507 1.00 0.15 C ATOM 903 C CYS A 106 -5.146 -6.707 -2.640 1.00 0.15 C ATOM 904 O CYS A 106 -4.071 -7.278 -2.430 1.00 0.16 O ATOM 905 CB CYS A 106 -7.209 -6.973 -1.239 1.00 0.19 C ATOM 906 SG CYS A 106 -6.863 -8.728 -0.986 1.00 0.29 S ATOM 0 H CYS A 106 -7.377 -4.613 -1.874 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.358 -6.092 -0.603 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.721 -6.585 -0.358 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.896 -6.868 -2.079 1.00 0.19 H new ATOM 0 HG CYS A 106 -6.333 -8.901 0.188 1.00 0.29 H new ATOM 912 N ASN A 107 -5.671 -6.543 -3.844 1.00 0.14 N ATOM 913 CA ASN A 107 -5.001 -6.964 -5.065 1.00 0.16 C ATOM 914 C ASN A 107 -3.613 -6.362 -5.158 1.00 0.15 C ATOM 915 O ASN A 107 -2.611 -7.069 -5.253 1.00 0.17 O ATOM 916 CB ASN A 107 -5.814 -6.489 -6.261 1.00 0.18 C ATOM 917 CG ASN A 107 -6.118 -7.596 -7.244 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.347 -8.546 -7.393 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.247 -7.485 -7.922 1.00 0.34 N ATOM 0 H ASN A 107 -6.581 -6.111 -4.003 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.915 -8.051 -5.056 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.750 -6.056 -5.908 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.269 -5.696 -6.772 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.508 -8.202 -8.599 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.857 -6.682 -7.768 1.00 0.34 H new ATOM 926 N ILE A 108 -3.582 -5.047 -5.090 1.00 0.13 N ATOM 927 CA ILE A 108 -2.372 -4.265 -5.266 1.00 0.13 C ATOM 928 C ILE A 108 -1.343 -4.613 -4.198 1.00 0.11 C ATOM 929 O ILE A 108 -0.164 -4.818 -4.485 1.00 0.12 O ATOM 930 CB ILE A 108 -2.752 -2.774 -5.188 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.551 -2.381 -6.431 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.536 -1.884 -5.013 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.364 -1.118 -6.258 1.00 0.17 C ATOM 0 H ILE A 108 -4.410 -4.480 -4.908 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.923 -4.487 -6.234 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.373 -2.627 -4.304 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.864 -2.248 -7.267 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.220 -3.200 -6.696 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.852 -0.842 -4.963 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -1.019 -2.151 -4.091 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.862 -2.019 -5.859 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.903 -0.903 -7.181 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.077 -1.253 -5.444 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.699 -0.286 -6.024 1.00 0.17 H new ATOM 945 N LEU A 109 -1.829 -4.705 -2.978 1.00 0.09 N ATOM 946 CA LEU A 109 -1.014 -5.015 -1.821 1.00 0.08 C ATOM 947 C LEU A 109 -0.376 -6.380 -1.912 1.00 0.09 C ATOM 948 O LEU A 109 0.841 -6.521 -1.805 1.00 0.10 O ATOM 949 CB LEU A 109 -1.880 -4.935 -0.588 1.00 0.08 C ATOM 950 CG LEU A 109 -1.841 -3.577 0.085 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.812 -3.528 1.227 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.442 -3.273 0.567 1.00 0.07 C ATOM 0 H LEU A 109 -2.815 -4.565 -2.758 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.202 -4.290 -1.774 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.909 -5.169 -0.860 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.558 -5.695 0.124 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.130 -2.820 -0.644 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.770 -2.546 1.698 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.820 -3.710 0.855 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.552 -4.293 1.959 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.427 -2.295 1.048 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.130 -4.034 1.282 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.242 -3.270 -0.281 1.00 0.07 H new ATOM 964 N SER A 110 -1.200 -7.380 -2.117 1.00 0.10 N ATOM 965 CA SER A 110 -0.728 -8.743 -2.202 1.00 0.12 C ATOM 966 C SER A 110 0.277 -8.885 -3.345 1.00 0.12 C ATOM 967 O SER A 110 1.247 -9.641 -3.245 1.00 0.14 O ATOM 968 CB SER A 110 -1.903 -9.677 -2.396 1.00 0.15 C ATOM 969 OG SER A 110 -2.852 -9.527 -1.351 1.00 1.15 O ATOM 0 H SER A 110 -2.208 -7.274 -2.229 1.00 0.10 H new ATOM 0 HA SER A 110 -0.222 -9.008 -1.274 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.379 -9.474 -3.355 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.551 -10.708 -2.427 1.00 0.15 H new ATOM 0 HG SER A 110 -3.430 -8.758 -1.541 1.00 1.15 H new ATOM 975 N ARG A 111 0.040 -8.135 -4.421 1.00 0.11 N ATOM 976 CA ARG A 111 0.961 -8.077 -5.544 1.00 0.12 C ATOM 977 C ARG A 111 2.324 -7.582 -5.112 1.00 0.11 C ATOM 978 O ARG A 111 3.322 -8.291 -5.231 1.00 0.13 O ATOM 979 CB ARG A 111 0.420 -7.126 -6.602 1.00 0.16 C ATOM 980 CG ARG A 111 -0.691 -7.702 -7.435 1.00 0.26 C ATOM 981 CD ARG A 111 -1.165 -6.706 -8.476 1.00 0.99 C ATOM 982 NE ARG A 111 -2.386 -7.145 -9.145 1.00 1.81 N ATOM 983 CZ ARG A 111 -3.323 -6.312 -9.596 1.00 2.57 C ATOM 984 NH1 ARG A 111 -3.155 -5.001 -9.479 1.00 2.67 N ATOM 985 NH2 ARG A 111 -4.418 -6.792 -10.173 1.00 3.55 N ATOM 0 H ARG A 111 -0.792 -7.556 -4.534 1.00 0.11 H new ATOM 0 HA ARG A 111 1.059 -9.086 -5.945 1.00 0.12 H new ATOM 0 HB2 ARG A 111 0.061 -6.221 -6.112 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.237 -6.829 -7.260 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.347 -8.611 -7.927 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.524 -7.984 -6.791 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -1.341 -5.741 -8.000 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -0.380 -6.557 -9.218 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.530 -8.146 -9.275 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -2.309 -4.632 -9.044 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -3.872 -4.362 -9.824 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -4.543 -7.800 -10.271 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -5.135 -6.153 -10.518 1.00 3.55 H new ATOM 999 N VAL A 112 2.352 -6.374 -4.573 1.00 0.10 N ATOM 1000 CA VAL A 112 3.611 -5.713 -4.269 1.00 0.10 C ATOM 1001 C VAL A 112 4.378 -6.434 -3.190 1.00 0.11 C ATOM 1002 O VAL A 112 5.586 -6.551 -3.277 1.00 0.12 O ATOM 1003 CB VAL A 112 3.449 -4.240 -3.856 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.231 -3.378 -5.069 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.313 -4.049 -2.878 1.00 0.10 C ATOM 0 H VAL A 112 1.520 -5.832 -4.338 1.00 0.10 H new ATOM 0 HA VAL A 112 4.169 -5.743 -5.205 1.00 0.10 H new ATOM 0 HB VAL A 112 4.371 -3.940 -3.358 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.118 -2.339 -4.761 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.087 -3.467 -5.738 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.329 -3.702 -5.589 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.234 -2.995 -2.613 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.380 -4.379 -3.335 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.504 -4.635 -1.979 1.00 0.10 H new ATOM 1015 N LEU A 113 3.680 -6.908 -2.177 1.00 0.10 N ATOM 1016 CA LEU A 113 4.311 -7.668 -1.111 1.00 0.11 C ATOM 1017 C LEU A 113 5.051 -8.872 -1.664 1.00 0.12 C ATOM 1018 O LEU A 113 6.240 -9.065 -1.419 1.00 0.14 O ATOM 1019 CB LEU A 113 3.257 -8.115 -0.112 1.00 0.11 C ATOM 1020 CG LEU A 113 3.209 -7.254 1.123 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.868 -6.554 1.232 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.502 -8.089 2.349 1.00 0.28 C ATOM 0 H LEU A 113 2.674 -6.781 -2.068 1.00 0.10 H new ATOM 0 HA LEU A 113 5.038 -7.027 -0.611 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.280 -8.102 -0.594 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.456 -9.146 0.179 1.00 0.11 H new ATOM 0 HG LEU A 113 3.976 -6.483 1.050 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.852 -5.937 2.130 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.714 -5.924 0.356 1.00 0.31 H new ATOM 0 HD13 LEU A 113 1.073 -7.298 1.288 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.465 -7.458 3.237 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.758 -8.881 2.436 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.494 -8.531 2.259 1.00 0.28 H new ATOM 1034 N SER A 114 4.329 -9.651 -2.435 1.00 0.13 N ATOM 1035 CA SER A 114 4.869 -10.863 -3.043 1.00 0.15 C ATOM 1036 C SER A 114 6.031 -10.537 -3.977 1.00 0.15 C ATOM 1037 O SER A 114 7.033 -11.254 -4.018 1.00 0.17 O ATOM 1038 CB SER A 114 3.770 -11.612 -3.800 1.00 0.17 C ATOM 1039 OG SER A 114 2.675 -11.915 -2.946 1.00 1.00 O ATOM 0 H SER A 114 3.351 -9.470 -2.663 1.00 0.13 H new ATOM 0 HA SER A 114 5.246 -11.504 -2.246 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.425 -11.007 -4.638 1.00 0.17 H new ATOM 0 HB3 SER A 114 4.175 -12.534 -4.218 1.00 0.17 H new ATOM 0 HG SER A 114 2.053 -11.158 -2.930 1.00 1.00 H new ATOM 1045 N ARG A 115 5.894 -9.452 -4.723 1.00 0.13 N ATOM 1046 CA ARG A 115 6.972 -8.972 -5.567 1.00 0.14 C ATOM 1047 C ARG A 115 8.144 -8.507 -4.714 1.00 0.14 C ATOM 1048 O ARG A 115 9.292 -8.807 -5.001 1.00 0.18 O ATOM 1049 CB ARG A 115 6.488 -7.801 -6.410 1.00 0.17 C ATOM 1050 CG ARG A 115 5.384 -8.129 -7.390 1.00 0.24 C ATOM 1051 CD ARG A 115 4.883 -6.852 -8.031 1.00 0.35 C ATOM 1052 NE ARG A 115 3.769 -7.061 -8.952 1.00 0.84 N ATOM 1053 CZ ARG A 115 2.937 -6.088 -9.318 1.00 1.19 C ATOM 1054 NH1 ARG A 115 3.112 -4.863 -8.840 1.00 1.20 N ATOM 1055 NH2 ARG A 115 1.941 -6.334 -10.163 1.00 1.83 N ATOM 0 H ARG A 115 5.045 -8.888 -4.760 1.00 0.13 H new ATOM 0 HA ARG A 115 7.292 -9.789 -6.213 1.00 0.14 H new ATOM 0 HB2 ARG A 115 6.138 -7.013 -5.743 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.336 -7.397 -6.963 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.753 -8.812 -8.155 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.567 -8.636 -6.877 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.572 -6.160 -7.249 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.704 -6.378 -8.568 1.00 0.35 H new ATOM 0 HE ARG A 115 3.621 -7.996 -9.333 1.00 0.84 H new ATOM 0 HH11 ARG A 115 3.880 -4.672 -8.197 1.00 1.20 H new ATOM 0 HH12 ARG A 115 2.479 -4.113 -9.116 1.00 1.20 H new ATOM 0 HH21 ARG A 115 1.809 -7.274 -10.536 1.00 1.83 H new ATOM 0 HH22 ARG A 115 1.308 -5.583 -10.438 1.00 1.83 H new ATOM 1069 N ALA A 116 7.818 -7.766 -3.670 1.00 0.13 N ATOM 1070 CA ALA A 116 8.813 -7.100 -2.827 1.00 0.14 C ATOM 1071 C ALA A 116 9.775 -8.085 -2.174 1.00 0.16 C ATOM 1072 O ALA A 116 10.973 -7.827 -2.085 1.00 0.18 O ATOM 1073 CB ALA A 116 8.115 -6.245 -1.784 1.00 0.15 C ATOM 0 H ALA A 116 6.855 -7.604 -3.376 1.00 0.13 H new ATOM 0 HA ALA A 116 9.417 -6.459 -3.469 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.860 -5.752 -1.160 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.503 -5.493 -2.281 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.480 -6.876 -1.162 1.00 0.15 H new ATOM 1079 N ARG A 117 9.254 -9.208 -1.722 1.00 0.19 N ATOM 1080 CA ARG A 117 10.099 -10.238 -1.132 1.00 0.24 C ATOM 1081 C ARG A 117 10.967 -10.919 -2.186 1.00 0.26 C ATOM 1082 O ARG A 117 12.053 -11.416 -1.891 1.00 0.32 O ATOM 1083 CB ARG A 117 9.267 -11.268 -0.387 1.00 0.28 C ATOM 1084 CG ARG A 117 8.865 -10.796 0.989 1.00 0.61 C ATOM 1085 CD ARG A 117 7.440 -10.273 1.025 1.00 0.34 C ATOM 1086 NE ARG A 117 6.460 -11.323 0.748 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.425 -11.601 1.541 1.00 1.38 C ATOM 1088 NH1 ARG A 117 5.300 -10.991 2.716 1.00 1.30 N ATOM 1089 NH2 ARG A 117 4.542 -12.523 1.179 1.00 2.33 N ATOM 0 H ARG A 117 8.260 -9.434 -1.749 1.00 0.19 H new ATOM 0 HA ARG A 117 10.758 -9.745 -0.417 1.00 0.24 H new ATOM 0 HB2 ARG A 117 8.372 -11.496 -0.966 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.834 -12.195 -0.299 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.966 -11.619 1.697 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.547 -10.010 1.315 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.238 -9.839 2.004 1.00 0.34 H new ATOM 0 HD3 ARG A 117 7.330 -9.473 0.293 1.00 0.34 H new ATOM 0 HE ARG A 117 6.575 -11.875 -0.102 1.00 1.22 H new ATOM 0 HH11 ARG A 117 5.997 -10.308 3.013 1.00 1.30 H new ATOM 0 HH12 ARG A 117 4.507 -11.206 3.320 1.00 1.30 H new ATOM 0 HH21 ARG A 117 4.655 -13.018 0.295 1.00 2.33 H new ATOM 0 HH22 ARG A 117 3.750 -12.736 1.785 1.00 2.33 H new ATOM 1103 N SER A 118 10.489 -10.904 -3.415 1.00 0.26 N ATOM 1104 CA SER A 118 11.192 -11.524 -4.533 1.00 0.31 C ATOM 1105 C SER A 118 12.219 -10.562 -5.095 1.00 0.28 C ATOM 1106 O SER A 118 13.326 -10.945 -5.480 1.00 0.32 O ATOM 1107 CB SER A 118 10.191 -11.887 -5.622 1.00 0.37 C ATOM 1108 OG SER A 118 10.599 -13.027 -6.362 1.00 0.68 O ATOM 0 H SER A 118 9.605 -10.464 -3.671 1.00 0.26 H new ATOM 0 HA SER A 118 11.697 -12.424 -4.183 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.217 -12.078 -5.170 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.068 -11.041 -6.298 1.00 0.37 H new ATOM 0 HG SER A 118 9.930 -13.228 -7.049 1.00 0.68 H new ATOM 1114 N ARG A 119 11.830 -9.310 -5.126 1.00 0.23 N ATOM 1115 CA ARG A 119 12.633 -8.255 -5.680 1.00 0.20 C ATOM 1116 C ARG A 119 12.694 -7.074 -4.737 1.00 0.18 C ATOM 1117 O ARG A 119 12.048 -6.052 -4.954 1.00 0.17 O ATOM 1118 CB ARG A 119 12.039 -7.838 -7.006 1.00 0.25 C ATOM 1119 CG ARG A 119 12.579 -8.630 -8.165 1.00 0.33 C ATOM 1120 CD ARG A 119 13.928 -8.084 -8.600 1.00 0.33 C ATOM 1121 NE ARG A 119 14.615 -8.966 -9.539 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.703 -9.674 -9.237 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.198 -9.654 -8.007 1.00 1.48 N ATOM 1124 NH2 ARG A 119 16.308 -10.400 -10.169 1.00 1.19 N ATOM 0 H ARG A 119 10.932 -8.994 -4.760 1.00 0.23 H new ATOM 0 HA ARG A 119 13.651 -8.615 -5.827 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.956 -7.955 -6.966 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.239 -6.779 -7.171 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.678 -9.678 -7.882 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.878 -8.590 -8.999 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.788 -7.106 -9.061 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.556 -7.935 -7.722 1.00 0.33 H new ATOM 0 HE ARG A 119 14.239 -9.045 -10.484 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.746 -9.094 -7.284 1.00 1.48 H new ATOM 0 HH12 ARG A 119 17.031 -10.199 -7.784 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.940 -10.417 -11.120 1.00 1.19 H new ATOM 0 HH22 ARG A 119 17.140 -10.940 -9.934 1.00 1.19 H new ATOM 1138 N PRO A 120 13.484 -7.205 -3.675 1.00 0.19 N ATOM 1139 CA PRO A 120 13.676 -6.145 -2.691 1.00 0.19 C ATOM 1140 C PRO A 120 14.383 -4.925 -3.280 1.00 0.20 C ATOM 1141 O PRO A 120 14.428 -3.864 -2.661 1.00 0.21 O ATOM 1142 CB PRO A 120 14.528 -6.821 -1.624 1.00 0.23 C ATOM 1143 CG PRO A 120 15.258 -7.867 -2.372 1.00 0.25 C ATOM 1144 CD PRO A 120 14.243 -8.414 -3.320 1.00 0.22 C ATOM 0 HA PRO A 120 12.734 -5.751 -2.310 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.211 -6.116 -1.151 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.913 -7.249 -0.832 1.00 0.23 H new ATOM 0 HG2 PRO A 120 16.116 -7.453 -2.902 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.639 -8.641 -1.706 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.705 -8.878 -4.192 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.613 -9.171 -2.853 1.00 0.22 H new ATOM 1152 N ALA A 121 14.943 -5.084 -4.478 1.00 0.20 N ATOM 1153 CA ALA A 121 15.507 -3.950 -5.202 1.00 0.22 C ATOM 1154 C ALA A 121 14.389 -3.155 -5.847 1.00 0.19 C ATOM 1155 O ALA A 121 14.447 -1.930 -5.966 1.00 0.21 O ATOM 1156 CB ALA A 121 16.475 -4.418 -6.269 1.00 0.25 C ATOM 0 H ALA A 121 15.017 -5.978 -4.963 1.00 0.20 H new ATOM 0 HA ALA A 121 16.049 -3.322 -4.494 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.882 -3.554 -6.795 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.288 -4.976 -5.804 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.953 -5.061 -6.977 1.00 0.25 H new ATOM 1162 N LYS A 122 13.363 -3.881 -6.248 1.00 0.16 N ATOM 1163 CA LYS A 122 12.207 -3.287 -6.879 1.00 0.16 C ATOM 1164 C LYS A 122 11.204 -2.853 -5.831 1.00 0.11 C ATOM 1165 O LYS A 122 10.129 -2.377 -6.160 1.00 0.11 O ATOM 1166 CB LYS A 122 11.566 -4.254 -7.849 1.00 0.20 C ATOM 1167 CG LYS A 122 12.498 -4.665 -8.958 1.00 0.27 C ATOM 1168 CD LYS A 122 11.785 -4.761 -10.281 1.00 0.41 C ATOM 1169 CE LYS A 122 10.556 -5.622 -10.183 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.861 -5.759 -11.490 1.00 1.07 N ATOM 0 H LYS A 122 13.310 -4.894 -6.145 1.00 0.16 H new ATOM 0 HA LYS A 122 12.535 -2.411 -7.438 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.237 -5.141 -7.308 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.676 -3.795 -8.279 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.312 -3.944 -9.035 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.948 -5.628 -8.717 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.505 -3.763 -10.618 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.461 -5.173 -11.031 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.835 -6.610 -9.816 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.871 -5.192 -9.452 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 9.020 -6.360 -11.375 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.571 -4.820 -11.829 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.505 -6.193 -12.182 1.00 1.07 H new ATOM 1184 N LEU A 123 11.549 -3.064 -4.564 1.00 0.10 N ATOM 1185 CA LEU A 123 10.759 -2.568 -3.451 1.00 0.08 C ATOM 1186 C LEU A 123 10.332 -1.125 -3.662 1.00 0.08 C ATOM 1187 O LEU A 123 9.184 -0.797 -3.435 1.00 0.13 O ATOM 1188 CB LEU A 123 11.554 -2.683 -2.168 1.00 0.12 C ATOM 1189 CG LEU A 123 10.837 -2.197 -0.921 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.539 -2.952 -0.724 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.728 -2.351 0.284 1.00 0.23 C ATOM 0 H LEU A 123 12.382 -3.582 -4.285 1.00 0.10 H new ATOM 0 HA LEU A 123 9.857 -3.177 -3.385 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.834 -3.727 -2.024 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.479 -2.118 -2.280 1.00 0.12 H new ATOM 0 HG LEU A 123 10.600 -1.140 -1.046 1.00 0.14 H new ATOM 0 HD11 LEU A 123 9.040 -2.589 0.175 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.892 -2.795 -1.587 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.750 -4.016 -0.618 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.203 -1.999 1.172 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.991 -3.401 0.410 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.636 -1.764 0.143 1.00 0.23 H new ATOM 1203 N TYR A 124 11.240 -0.277 -4.126 1.00 0.11 N ATOM 1204 CA TYR A 124 10.906 1.089 -4.440 1.00 0.10 C ATOM 1205 C TYR A 124 9.848 1.162 -5.518 1.00 0.11 C ATOM 1206 O TYR A 124 9.008 2.036 -5.489 1.00 0.14 O ATOM 1207 CB TYR A 124 12.160 1.835 -4.861 1.00 0.14 C ATOM 1208 CG TYR A 124 13.110 1.963 -3.721 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.595 2.079 -2.458 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.482 1.967 -3.885 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.403 2.199 -1.364 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.319 2.087 -2.797 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.775 2.204 -1.531 1.00 1.45 C ATOM 1214 OH TYR A 124 15.601 2.325 -0.437 1.00 1.89 O ATOM 0 H TYR A 124 12.216 -0.521 -4.291 1.00 0.11 H new ATOM 0 HA TYR A 124 10.493 1.561 -3.548 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.642 1.308 -5.684 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.892 2.825 -5.230 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.523 2.076 -2.324 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.902 1.875 -4.876 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.974 2.289 -0.377 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.391 2.090 -2.932 1.00 1.74 H new ATOM 0 HH TYR A 124 16.536 2.310 -0.730 1.00 1.89 H new ATOM 1224 N VAL A 125 9.845 0.209 -6.429 1.00 0.10 N ATOM 1225 CA VAL A 125 8.841 0.184 -7.479 1.00 0.12 C ATOM 1226 C VAL A 125 7.497 -0.031 -6.837 1.00 0.11 C ATOM 1227 O VAL A 125 6.527 0.638 -7.136 1.00 0.14 O ATOM 1228 CB VAL A 125 9.078 -0.964 -8.471 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.030 -0.954 -9.561 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.472 -0.894 -9.051 1.00 0.18 C ATOM 0 H VAL A 125 10.521 -0.554 -6.466 1.00 0.10 H new ATOM 0 HA VAL A 125 8.893 1.127 -8.023 1.00 0.12 H new ATOM 0 HB VAL A 125 8.990 -1.907 -7.931 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.217 -1.775 -10.253 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.042 -1.071 -9.117 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.075 -0.008 -10.100 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.617 -1.717 -9.751 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.601 0.054 -9.574 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.205 -0.968 -8.247 1.00 0.18 H new ATOM 1240 N TYR A 126 7.502 -0.974 -5.924 1.00 0.07 N ATOM 1241 CA TYR A 126 6.328 -1.401 -5.186 1.00 0.08 C ATOM 1242 C TYR A 126 5.881 -0.331 -4.202 1.00 0.08 C ATOM 1243 O TYR A 126 4.694 -0.030 -4.092 1.00 0.10 O ATOM 1244 CB TYR A 126 6.706 -2.689 -4.467 1.00 0.11 C ATOM 1245 CG TYR A 126 7.381 -3.682 -5.382 1.00 0.15 C ATOM 1246 CD1 TYR A 126 7.019 -3.803 -6.722 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.393 -4.488 -4.905 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.658 -4.707 -7.551 1.00 0.25 C ATOM 1249 CE2 TYR A 126 9.025 -5.400 -5.727 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.656 -5.503 -7.041 1.00 0.28 C ATOM 1251 OH TYR A 126 9.273 -6.430 -7.843 1.00 0.36 O ATOM 0 H TYR A 126 8.347 -1.483 -5.664 1.00 0.07 H new ATOM 0 HA TYR A 126 5.487 -1.568 -5.859 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.370 -2.456 -3.635 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.810 -3.141 -4.042 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.229 -3.183 -7.119 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.696 -4.405 -3.872 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.375 -4.787 -8.590 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.809 -6.031 -5.334 1.00 0.27 H new ATOM 0 HH TYR A 126 8.653 -6.721 -8.544 1.00 0.36 H new ATOM 1261 N ILE A 127 6.838 0.229 -3.480 1.00 0.08 N ATOM 1262 CA ILE A 127 6.602 1.357 -2.598 1.00 0.11 C ATOM 1263 C ILE A 127 6.011 2.514 -3.381 1.00 0.12 C ATOM 1264 O ILE A 127 4.958 3.049 -3.031 1.00 0.14 O ATOM 1265 CB ILE A 127 7.931 1.798 -1.951 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.428 0.727 -0.997 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.797 3.119 -1.222 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.891 0.870 -0.670 1.00 0.13 C ATOM 0 H ILE A 127 7.807 -0.090 -3.491 1.00 0.08 H new ATOM 0 HA ILE A 127 5.901 1.057 -1.819 1.00 0.11 H new ATOM 0 HB ILE A 127 8.655 1.937 -2.754 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.848 0.771 -0.075 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.253 -0.255 -1.437 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.757 3.391 -0.782 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.488 3.893 -1.925 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.050 3.025 -0.434 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.190 0.077 0.016 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.477 0.798 -1.586 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.066 1.839 -0.203 1.00 0.13 H new ATOM 1280 N ASN A 128 6.699 2.885 -4.451 1.00 0.12 N ATOM 1281 CA ASN A 128 6.216 3.939 -5.343 1.00 0.15 C ATOM 1282 C ASN A 128 4.868 3.546 -5.932 1.00 0.12 C ATOM 1283 O ASN A 128 3.985 4.385 -6.085 1.00 0.12 O ATOM 1284 CB ASN A 128 7.199 4.218 -6.492 1.00 0.20 C ATOM 1285 CG ASN A 128 8.531 4.833 -6.069 1.00 0.30 C ATOM 1286 OD1 ASN A 128 9.171 5.533 -6.858 1.00 0.82 O ATOM 1287 ND2 ASN A 128 8.950 4.605 -4.832 1.00 0.42 N ATOM 0 H ASN A 128 7.592 2.475 -4.726 1.00 0.12 H new ATOM 0 HA ASN A 128 6.120 4.846 -4.746 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.398 3.282 -7.015 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.718 4.886 -7.207 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.826 5.013 -4.507 1.00 0.42 H new ATOM 0 HD22 ASN A 128 8.396 4.021 -4.205 1.00 0.42 H new ATOM 1294 N GLU A 129 4.717 2.266 -6.255 1.00 0.11 N ATOM 1295 CA GLU A 129 3.493 1.741 -6.844 1.00 0.10 C ATOM 1296 C GLU A 129 2.315 1.937 -5.922 1.00 0.09 C ATOM 1297 O GLU A 129 1.312 2.531 -6.300 1.00 0.14 O ATOM 1298 CB GLU A 129 3.645 0.256 -7.167 1.00 0.14 C ATOM 1299 CG GLU A 129 3.284 -0.060 -8.581 1.00 0.26 C ATOM 1300 CD GLU A 129 3.479 -1.511 -8.957 1.00 1.41 C ATOM 1301 OE1 GLU A 129 4.627 -1.913 -9.230 1.00 2.29 O ATOM 1302 OE2 GLU A 129 2.471 -2.251 -9.017 1.00 1.55 O ATOM 0 H GLU A 129 5.442 1.563 -6.115 1.00 0.11 H new ATOM 0 HA GLU A 129 3.310 2.293 -7.766 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.675 -0.050 -6.981 1.00 0.14 H new ATOM 0 HB3 GLU A 129 3.013 -0.325 -6.495 1.00 0.14 H new ATOM 0 HG2 GLU A 129 2.241 0.211 -8.748 1.00 0.26 H new ATOM 0 HG3 GLU A 129 3.885 0.561 -9.246 1.00 0.26 H new ATOM 1309 N LEU A 130 2.463 1.447 -4.708 1.00 0.07 N ATOM 1310 CA LEU A 130 1.427 1.541 -3.707 1.00 0.08 C ATOM 1311 C LEU A 130 1.143 3.001 -3.406 1.00 0.09 C ATOM 1312 O LEU A 130 -0.003 3.396 -3.259 1.00 0.10 O ATOM 1313 CB LEU A 130 1.853 0.811 -2.444 1.00 0.08 C ATOM 1314 CG LEU A 130 0.706 0.234 -1.632 1.00 0.09 C ATOM 1315 CD1 LEU A 130 -0.004 -0.855 -2.412 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.228 -0.300 -0.318 1.00 0.08 C ATOM 0 H LEU A 130 3.308 0.972 -4.390 1.00 0.07 H new ATOM 0 HA LEU A 130 0.517 1.074 -4.084 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.530 0.002 -2.718 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.417 1.499 -1.814 1.00 0.08 H new ATOM 0 HG LEU A 130 -0.016 1.024 -1.427 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.822 -1.256 -1.814 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.401 -0.439 -3.338 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.700 -1.654 -2.645 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.402 -0.713 0.261 1.00 0.08 H new ATOM 0 HD22 LEU A 130 1.963 -1.082 -0.509 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.696 0.509 0.243 1.00 0.08 H new ATOM 1328 N CYS A 131 2.201 3.802 -3.351 1.00 0.11 N ATOM 1329 CA CYS A 131 2.070 5.241 -3.169 1.00 0.13 C ATOM 1330 C CYS A 131 1.243 5.847 -4.302 1.00 0.13 C ATOM 1331 O CYS A 131 0.357 6.671 -4.075 1.00 0.14 O ATOM 1332 CB CYS A 131 3.455 5.890 -3.123 1.00 0.18 C ATOM 1333 SG CYS A 131 3.433 7.695 -3.211 1.00 1.39 S ATOM 0 H CYS A 131 3.164 3.476 -3.430 1.00 0.11 H new ATOM 0 HA CYS A 131 1.558 5.430 -2.225 1.00 0.13 H new ATOM 0 HB2 CYS A 131 3.954 5.589 -2.202 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.052 5.505 -3.950 1.00 0.18 H new ATOM 0 HG CYS A 131 4.373 8.178 -2.454 1.00 1.39 H new ATOM 1339 N THR A 132 1.537 5.411 -5.518 1.00 0.12 N ATOM 1340 CA THR A 132 0.819 5.863 -6.704 1.00 0.14 C ATOM 1341 C THR A 132 -0.637 5.424 -6.618 1.00 0.11 C ATOM 1342 O THR A 132 -1.556 6.208 -6.840 1.00 0.15 O ATOM 1343 CB THR A 132 1.466 5.285 -7.981 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.842 5.684 -8.048 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.741 5.747 -9.235 1.00 0.24 C ATOM 0 H THR A 132 2.277 4.736 -5.712 1.00 0.12 H new ATOM 0 HA THR A 132 0.869 6.951 -6.752 1.00 0.14 H new ATOM 0 HB THR A 132 1.394 4.199 -7.931 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.347 5.238 -7.336 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.225 5.320 -10.113 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.297 5.418 -9.197 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.775 6.835 -9.295 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.811 4.159 -6.285 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.105 3.567 -6.000 1.00 0.07 C ATOM 1355 C VAL A 133 -2.890 4.373 -4.980 1.00 0.07 C ATOM 1356 O VAL A 133 -4.051 4.723 -5.197 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.878 2.153 -5.462 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.064 1.628 -4.686 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.536 1.229 -6.600 1.00 0.10 C ATOM 0 H VAL A 133 -0.038 3.498 -6.203 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.688 3.551 -6.921 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.045 2.197 -4.761 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.848 0.621 -4.328 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.261 2.281 -3.836 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.940 1.602 -5.334 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.375 0.222 -6.215 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.357 1.216 -7.317 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.629 1.579 -7.093 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.244 4.664 -3.874 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.877 5.378 -2.786 1.00 0.11 C ATOM 1371 C LEU A 134 -3.199 6.801 -3.201 1.00 0.14 C ATOM 1372 O LEU A 134 -4.250 7.323 -2.859 1.00 0.18 O ATOM 1373 CB LEU A 134 -1.970 5.366 -1.565 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.664 3.976 -1.011 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.565 4.053 0.032 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -2.920 3.348 -0.434 1.00 0.16 C ATOM 0 H LEU A 134 -1.270 4.414 -3.702 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.813 4.880 -2.532 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.030 5.855 -1.823 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.434 5.962 -0.779 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.313 3.343 -1.826 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.358 3.055 0.417 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.338 4.461 -0.421 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -0.884 4.699 0.850 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.685 2.358 -0.043 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.303 3.975 0.372 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.675 3.260 -1.215 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.306 7.403 -3.981 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.495 8.742 -4.487 1.00 0.17 C ATOM 1390 C LYS A 135 -3.638 8.744 -5.482 1.00 0.15 C ATOM 1391 O LYS A 135 -4.377 9.721 -5.613 1.00 0.18 O ATOM 1392 CB LYS A 135 -1.219 9.213 -5.184 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.805 10.614 -4.804 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.955 11.584 -4.968 1.00 0.68 C ATOM 1395 CE LYS A 135 -2.270 11.851 -6.434 1.00 1.32 C ATOM 1396 NZ LYS A 135 -3.470 12.716 -6.595 1.00 1.82 N ATOM 0 H LYS A 135 -1.432 6.968 -4.276 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.725 9.413 -3.659 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.408 8.525 -4.943 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.366 9.167 -6.263 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.459 10.627 -3.771 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.033 10.930 -5.425 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.840 11.184 -4.474 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.711 12.524 -4.473 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -1.412 12.328 -6.909 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -2.433 10.904 -6.949 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -3.651 12.874 -7.607 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 -4.294 12.250 -6.165 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 -3.305 13.629 -6.126 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.792 7.621 -6.153 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.780 7.479 -7.185 1.00 0.14 C ATOM 1412 C ALA A 136 -6.156 7.408 -6.555 1.00 0.16 C ATOM 1413 O ALA A 136 -7.149 7.859 -7.124 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.489 6.221 -7.986 1.00 0.17 C ATOM 0 H ALA A 136 -3.231 6.784 -5.993 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.748 8.337 -7.857 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.237 6.109 -8.771 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.499 6.297 -8.436 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.522 5.354 -7.326 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.187 6.856 -5.354 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.436 6.597 -4.664 1.00 0.23 C ATOM 1422 C HIS A 137 -7.419 7.201 -3.266 1.00 0.24 C ATOM 1423 O HIS A 137 -7.883 6.592 -2.302 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.687 5.088 -4.608 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.496 4.417 -5.935 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -8.099 4.858 -7.091 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.699 3.387 -6.301 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.677 4.134 -8.110 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.829 3.234 -7.656 1.00 0.34 N ATOM 0 H HIS A 137 -5.354 6.577 -4.835 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.250 7.069 -5.214 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -7.013 4.639 -3.879 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.703 4.906 -4.257 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -6.076 2.795 -5.647 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.976 4.258 -9.140 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.347 2.536 -8.222 1.00 0.34 H new