USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 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 Single : A 60 LYS NZ :NH3+ -133:sc= 0.757 (180deg=-2.75!) USER MOD Single : A 63 ASN : amide:sc= 0.228 K(o=0.23,f=-8.8!) USER MOD Single : A 65 LYS NZ :NH3+ 127:sc= 1.28 (180deg=0.0263) USER MOD Single : A 74 CYS SG : rot 74:sc= -0.671 USER MOD Single : A 75 LYS NZ :NH3+ 146:sc= 1.2 (180deg=0.979) USER MOD Single : A 76 MET CE :methyl 165:sc= -3.35! (180deg=-3.83!) USER MOD Single : A 77 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.6!) USER MOD Single : A 78 THR OG1 : rot -45:sc= 1.22 USER MOD Single : A 81 HIS : no HE2:sc= -2.49! K(o=-2.5!,f=0.42) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.991 K(o=-0.99,f=-11!) USER MOD Single : A 92 GLN : amide:sc= -0.832! C(o=-0.83!,f=-6.9!) USER MOD Single : A 93 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.31) USER MOD Single : A 96 HIS : no HD1:sc= -2.03! C(o=-2!,f=-8.1!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 99:sc= 1.19 USER MOD Single : A 107 ASN : amide:sc= -0.031 K(o=-0.031,f=-0.72) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 90:sc= 1.24 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 124 TYR OH : rot -176:sc= 0.115 USER MOD Single : A 126 TYR OH : rot -30:sc= -2.15! USER MOD Single : A 128 ASN : amide:sc= 1.01 K(o=1,f=-0.79) USER MOD Single : A 131 CYS SG : rot 133:sc= -2.24! USER MOD Single : A 132 THR OG1 : rot 88:sc= 1.19 USER MOD Single : A 135 LYS NZ :NH3+ -161:sc= -0.0987 (180deg=-0.411) USER MOD Single : A 137 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 60 -10.665 -4.465 4.567 1.00 0.29 N ATOM 139 CA LYS A 60 -10.051 -3.409 5.380 1.00 0.29 C ATOM 140 C LYS A 60 -8.946 -3.960 6.286 1.00 0.25 C ATOM 141 O LYS A 60 -7.802 -3.523 6.211 1.00 0.26 O ATOM 142 CB LYS A 60 -11.145 -2.714 6.217 1.00 0.37 C ATOM 143 CG LYS A 60 -10.664 -1.566 7.101 1.00 0.57 C ATOM 144 CD LYS A 60 -10.026 -2.066 8.381 1.00 0.43 C ATOM 145 CE LYS A 60 -9.738 -0.926 9.328 1.00 0.76 C ATOM 146 NZ LYS A 60 -8.952 0.152 8.675 1.00 1.62 N ATOM 0 HA LYS A 60 -9.584 -2.685 4.712 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.909 -2.333 5.540 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.624 -3.461 6.850 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -9.945 -0.960 6.550 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.506 -0.918 7.344 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.688 -2.785 8.864 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.100 -2.592 8.148 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -10.677 -0.516 9.699 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -9.191 -1.302 10.192 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -8.165 0.432 9.294 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.574 -0.193 7.770 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.566 0.974 8.503 1.00 1.62 H new ATOM 160 N LEU A 61 -9.291 -4.938 7.115 1.00 0.25 N ATOM 161 CA LEU A 61 -8.325 -5.549 8.010 1.00 0.25 C ATOM 162 C LEU A 61 -7.139 -6.111 7.253 1.00 0.26 C ATOM 163 O LEU A 61 -5.990 -5.878 7.618 1.00 0.30 O ATOM 164 CB LEU A 61 -8.975 -6.655 8.813 1.00 0.30 C ATOM 165 CG LEU A 61 -9.026 -6.397 10.310 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.316 -7.686 11.052 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.725 -5.762 10.795 1.00 0.63 C ATOM 0 H LEU A 61 -10.233 -5.323 7.184 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.967 -4.768 8.681 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.991 -6.804 8.447 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.433 -7.584 8.635 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.833 -5.694 10.516 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.350 -7.489 12.124 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.276 -8.086 10.726 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.530 -8.412 10.841 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.784 -5.586 11.869 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.892 -6.432 10.582 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.569 -4.814 10.280 1.00 0.63 H new ATOM 179 N GLU A 62 -7.437 -6.852 6.203 1.00 0.25 N ATOM 180 CA GLU A 62 -6.429 -7.455 5.391 1.00 0.29 C ATOM 181 C GLU A 62 -5.497 -6.404 4.810 1.00 0.23 C ATOM 182 O GLU A 62 -4.285 -6.570 4.841 1.00 0.20 O ATOM 183 CB GLU A 62 -7.086 -8.247 4.277 1.00 0.39 C ATOM 184 CG GLU A 62 -6.248 -9.422 3.879 1.00 0.63 C ATOM 185 CD GLU A 62 -6.879 -10.295 2.815 1.00 1.48 C ATOM 186 OE1 GLU A 62 -7.731 -11.138 3.162 1.00 1.98 O ATOM 187 OE2 GLU A 62 -6.510 -10.164 1.631 1.00 2.20 O ATOM 0 H GLU A 62 -8.391 -7.046 5.899 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.833 -8.125 6.012 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.068 -8.591 4.602 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -7.245 -7.601 3.413 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -5.285 -9.062 3.516 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -6.049 -10.029 4.762 1.00 0.63 H new ATOM 194 N ASN A 63 -6.066 -5.323 4.302 1.00 0.22 N ATOM 195 CA ASN A 63 -5.291 -4.289 3.638 1.00 0.19 C ATOM 196 C ASN A 63 -4.446 -3.514 4.629 1.00 0.15 C ATOM 197 O ASN A 63 -3.284 -3.219 4.358 1.00 0.16 O ATOM 198 CB ASN A 63 -6.218 -3.347 2.880 1.00 0.21 C ATOM 199 CG ASN A 63 -6.911 -4.032 1.722 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.417 -5.018 1.191 1.00 0.33 O ATOM 201 ND2 ASN A 63 -8.055 -3.505 1.317 1.00 0.27 N ATOM 0 H ASN A 63 -7.069 -5.139 4.338 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.617 -4.771 2.930 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.967 -2.949 3.565 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.644 -2.499 2.507 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.560 -3.921 0.534 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.432 -2.682 1.787 1.00 0.27 H new ATOM 208 N GLU A 64 -5.033 -3.178 5.772 1.00 0.15 N ATOM 209 CA GLU A 64 -4.297 -2.650 6.886 1.00 0.16 C ATOM 210 C GLU A 64 -3.086 -3.518 7.189 1.00 0.14 C ATOM 211 O GLU A 64 -1.949 -3.052 7.196 1.00 0.17 O ATOM 212 CB GLU A 64 -5.225 -2.635 8.064 1.00 0.21 C ATOM 213 CG GLU A 64 -5.968 -1.337 8.207 1.00 0.30 C ATOM 214 CD GLU A 64 -6.339 -0.638 6.920 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.490 0.094 6.383 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.505 -0.744 6.500 1.00 1.75 O ATOM 0 H GLU A 64 -6.035 -3.269 5.940 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.935 -1.647 6.660 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.943 -3.449 7.965 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.653 -2.822 8.973 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.882 -1.525 8.771 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.359 -0.657 8.803 1.00 0.30 H new ATOM 223 N LYS A 65 -3.362 -4.797 7.392 1.00 0.13 N ATOM 224 CA LYS A 65 -2.376 -5.767 7.753 1.00 0.14 C ATOM 225 C LYS A 65 -1.320 -5.947 6.659 1.00 0.12 C ATOM 226 O LYS A 65 -0.123 -5.937 6.942 1.00 0.14 O ATOM 227 CB LYS A 65 -3.111 -7.040 8.042 1.00 0.20 C ATOM 228 CG LYS A 65 -2.256 -8.250 7.991 1.00 0.44 C ATOM 229 CD LYS A 65 -1.224 -8.293 9.105 1.00 0.86 C ATOM 230 CE LYS A 65 -0.413 -9.576 9.046 1.00 1.32 C ATOM 231 NZ LYS A 65 0.715 -9.576 10.015 1.00 1.93 N ATOM 0 H LYS A 65 -4.302 -5.184 7.305 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.819 -5.439 8.631 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.566 -6.970 9.030 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.924 -7.150 7.324 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -2.887 -9.137 8.053 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -1.746 -8.288 7.029 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.558 -7.434 9.022 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -1.723 -8.218 10.071 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -1.065 -10.425 9.251 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -0.022 -9.710 8.037 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 0.669 -10.434 10.601 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 1.617 -9.558 9.498 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 0.649 -8.736 10.625 1.00 1.93 H new ATOM 245 N LEU A 66 -1.765 -6.114 5.416 1.00 0.11 N ATOM 246 CA LEU A 66 -0.855 -6.237 4.281 1.00 0.10 C ATOM 247 C LEU A 66 0.021 -5.001 4.168 1.00 0.08 C ATOM 248 O LEU A 66 1.220 -5.099 3.912 1.00 0.08 O ATOM 249 CB LEU A 66 -1.641 -6.423 2.983 1.00 0.10 C ATOM 250 CG LEU A 66 -2.420 -7.728 2.870 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.330 -7.688 1.659 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.470 -8.903 2.774 1.00 0.17 C ATOM 0 H LEU A 66 -2.753 -6.167 5.169 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.224 -7.110 4.445 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.340 -5.593 2.879 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.946 -6.361 2.146 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.031 -7.849 3.765 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.882 -8.625 1.588 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.032 -6.860 1.759 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.732 -7.550 0.759 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.042 -9.828 2.694 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.839 -8.789 1.893 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.845 -8.939 3.666 1.00 0.17 H new ATOM 264 N PHE A 67 -0.588 -3.839 4.359 1.00 0.07 N ATOM 265 CA PHE A 67 0.144 -2.590 4.363 1.00 0.06 C ATOM 266 C PHE A 67 1.259 -2.633 5.397 1.00 0.06 C ATOM 267 O PHE A 67 2.395 -2.282 5.100 1.00 0.07 O ATOM 268 CB PHE A 67 -0.784 -1.410 4.645 1.00 0.08 C ATOM 269 CG PHE A 67 -0.057 -0.108 4.646 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.767 0.214 3.591 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.186 0.780 5.697 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.463 1.409 3.578 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.502 1.975 5.690 1.00 0.12 C ATOM 274 CZ PHE A 67 1.327 2.288 4.628 1.00 0.09 C ATOM 0 H PHE A 67 -1.591 -3.740 4.513 1.00 0.07 H new ATOM 0 HA PHE A 67 0.581 -2.454 3.374 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.573 -1.383 3.893 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.269 -1.554 5.611 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.871 -0.474 2.765 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.830 0.536 6.529 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.110 1.651 2.748 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.396 2.665 6.514 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.866 3.224 4.621 1.00 0.09 H new ATOM 284 N GLU A 68 0.923 -3.066 6.606 1.00 0.08 N ATOM 285 CA GLU A 68 1.914 -3.224 7.666 1.00 0.09 C ATOM 286 C GLU A 68 2.995 -4.189 7.232 1.00 0.10 C ATOM 287 O GLU A 68 4.176 -3.914 7.396 1.00 0.12 O ATOM 288 CB GLU A 68 1.271 -3.762 8.946 1.00 0.14 C ATOM 289 CG GLU A 68 0.028 -3.020 9.379 1.00 0.21 C ATOM 290 CD GLU A 68 -0.536 -3.536 10.693 1.00 0.87 C ATOM 291 OE1 GLU A 68 0.171 -4.294 11.393 1.00 1.47 O ATOM 292 OE2 GLU A 68 -1.687 -3.190 11.034 1.00 1.19 O ATOM 0 H GLU A 68 -0.028 -3.314 6.878 1.00 0.08 H new ATOM 0 HA GLU A 68 2.343 -2.241 7.863 1.00 0.09 H new ATOM 0 HB2 GLU A 68 1.020 -4.812 8.798 1.00 0.14 H new ATOM 0 HB3 GLU A 68 2.004 -3.720 9.752 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.259 -1.960 9.479 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.732 -3.108 8.603 1.00 0.21 H new ATOM 299 N GLU A 69 2.582 -5.307 6.663 1.00 0.10 N ATOM 300 CA GLU A 69 3.512 -6.328 6.199 1.00 0.12 C ATOM 301 C GLU A 69 4.526 -5.746 5.230 1.00 0.11 C ATOM 302 O GLU A 69 5.704 -6.100 5.249 1.00 0.14 O ATOM 303 CB GLU A 69 2.737 -7.434 5.503 1.00 0.15 C ATOM 304 CG GLU A 69 1.938 -8.307 6.435 1.00 0.25 C ATOM 305 CD GLU A 69 2.828 -9.199 7.264 1.00 0.81 C ATOM 306 OE1 GLU A 69 3.496 -10.076 6.678 1.00 1.34 O ATOM 307 OE2 GLU A 69 2.876 -9.025 8.499 1.00 1.21 O ATOM 0 H GLU A 69 1.600 -5.535 6.509 1.00 0.10 H new ATOM 0 HA GLU A 69 4.046 -6.724 7.063 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.062 -6.986 4.774 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.437 -8.059 4.948 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.336 -7.681 7.093 1.00 0.25 H new ATOM 0 HG3 GLU A 69 1.246 -8.919 5.857 1.00 0.25 H new ATOM 314 N PHE A 70 4.048 -4.859 4.383 1.00 0.09 N ATOM 315 CA PHE A 70 4.863 -4.228 3.391 1.00 0.09 C ATOM 316 C PHE A 70 5.670 -3.108 4.044 1.00 0.08 C ATOM 317 O PHE A 70 6.847 -2.916 3.748 1.00 0.10 O ATOM 318 CB PHE A 70 3.948 -3.714 2.286 1.00 0.09 C ATOM 319 CG PHE A 70 4.653 -3.086 1.137 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.074 -1.788 1.233 1.00 0.12 C ATOM 321 CD2 PHE A 70 4.877 -3.785 -0.036 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.712 -1.176 0.185 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.521 -3.182 -1.098 1.00 0.13 C ATOM 324 CZ PHE A 70 5.940 -1.872 -0.987 1.00 0.13 C ATOM 0 H PHE A 70 3.073 -4.559 4.371 1.00 0.09 H new ATOM 0 HA PHE A 70 5.575 -4.927 2.952 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.346 -4.544 1.916 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.258 -2.986 2.713 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.902 -1.238 2.146 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.546 -4.809 -0.121 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.036 -0.150 0.275 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.696 -3.733 -2.011 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.444 -1.392 -1.813 1.00 0.13 H new ATOM 334 N LEU A 71 5.013 -2.374 4.936 1.00 0.07 N ATOM 335 CA LEU A 71 5.640 -1.312 5.695 1.00 0.08 C ATOM 336 C LEU A 71 6.816 -1.805 6.533 1.00 0.08 C ATOM 337 O LEU A 71 7.926 -1.286 6.426 1.00 0.09 O ATOM 338 CB LEU A 71 4.610 -0.624 6.578 1.00 0.09 C ATOM 339 CG LEU A 71 4.101 0.691 6.012 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.588 1.598 7.099 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.198 1.375 5.253 1.00 0.10 C ATOM 0 H LEU A 71 4.024 -2.505 5.150 1.00 0.07 H new ATOM 0 HA LEU A 71 6.042 -0.596 4.978 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.765 -1.296 6.727 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.049 -0.441 7.559 1.00 0.09 H new ATOM 0 HG LEU A 71 3.272 0.470 5.340 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.232 2.529 6.658 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.768 1.109 7.624 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.392 1.814 7.802 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.828 2.317 4.849 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.036 1.571 5.922 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.529 0.735 4.435 1.00 0.10 H new ATOM 353 N GLU A 72 6.552 -2.788 7.382 1.00 0.08 N ATOM 354 CA GLU A 72 7.594 -3.425 8.195 1.00 0.11 C ATOM 355 C GLU A 72 8.717 -3.919 7.310 1.00 0.09 C ATOM 356 O GLU A 72 9.897 -3.759 7.624 1.00 0.12 O ATOM 357 CB GLU A 72 7.024 -4.598 8.980 1.00 0.19 C ATOM 358 CG GLU A 72 5.859 -4.196 9.840 1.00 0.26 C ATOM 359 CD GLU A 72 6.243 -3.207 10.920 1.00 0.59 C ATOM 360 OE1 GLU A 72 7.039 -3.570 11.808 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.767 -2.055 10.873 1.00 1.13 O ATOM 0 H GLU A 72 5.618 -3.169 7.531 1.00 0.08 H new ATOM 0 HA GLU A 72 7.978 -2.682 8.894 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.709 -5.378 8.287 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.805 -5.026 9.608 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.083 -3.758 9.212 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.431 -5.085 10.303 1.00 0.26 H new ATOM 368 N LEU A 73 8.323 -4.534 6.209 1.00 0.10 N ATOM 369 CA LEU A 73 9.257 -4.961 5.179 1.00 0.11 C ATOM 370 C LEU A 73 10.125 -3.796 4.739 1.00 0.10 C ATOM 371 O LEU A 73 11.343 -3.898 4.736 1.00 0.12 O ATOM 372 CB LEU A 73 8.485 -5.516 3.980 1.00 0.14 C ATOM 373 CG LEU A 73 9.337 -5.956 2.793 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.921 -7.333 3.027 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.519 -5.930 1.518 1.00 0.46 C ATOM 0 H LEU A 73 7.348 -4.752 6.003 1.00 0.10 H new ATOM 0 HA LEU A 73 9.899 -5.741 5.587 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.893 -6.368 4.315 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.784 -4.755 3.638 1.00 0.14 H new ATOM 0 HG LEU A 73 10.165 -5.254 2.687 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.524 -7.624 2.167 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.547 -7.316 3.919 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.113 -8.052 3.164 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.141 -6.246 0.680 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.670 -6.607 1.616 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.157 -4.918 1.339 1.00 0.46 H new ATOM 387 N CYS A 74 9.495 -2.681 4.398 1.00 0.09 N ATOM 388 CA CYS A 74 10.234 -1.498 3.972 1.00 0.10 C ATOM 389 C CYS A 74 11.205 -1.049 5.058 1.00 0.11 C ATOM 390 O CYS A 74 12.352 -0.738 4.770 1.00 0.14 O ATOM 391 CB CYS A 74 9.279 -0.366 3.605 1.00 0.10 C ATOM 392 SG CYS A 74 8.203 -0.764 2.217 1.00 0.11 S ATOM 0 H CYS A 74 8.481 -2.569 4.407 1.00 0.09 H new ATOM 0 HA CYS A 74 10.810 -1.760 3.084 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.666 -0.121 4.472 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.858 0.525 3.363 1.00 0.10 H new ATOM 0 HG CYS A 74 7.289 -1.603 2.604 1.00 0.11 H new ATOM 398 N LYS A 75 10.767 -1.074 6.315 1.00 0.11 N ATOM 399 CA LYS A 75 11.632 -0.713 7.434 1.00 0.12 C ATOM 400 C LYS A 75 12.874 -1.603 7.467 1.00 0.13 C ATOM 401 O LYS A 75 13.896 -1.248 8.054 1.00 0.16 O ATOM 402 CB LYS A 75 10.865 -0.848 8.748 1.00 0.13 C ATOM 403 CG LYS A 75 9.644 0.027 8.831 1.00 0.18 C ATOM 404 CD LYS A 75 8.843 -0.304 10.068 1.00 0.20 C ATOM 405 CE LYS A 75 7.586 0.530 10.142 1.00 0.30 C ATOM 406 NZ LYS A 75 6.827 0.287 11.396 1.00 0.32 N ATOM 0 H LYS A 75 9.820 -1.340 6.583 1.00 0.11 H new ATOM 0 HA LYS A 75 11.950 0.322 7.304 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.565 -1.888 8.877 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.533 -0.604 9.574 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.941 1.076 8.852 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.028 -0.112 7.943 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.581 -1.362 10.063 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.451 -0.130 10.956 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.848 1.586 10.076 1.00 0.30 H new ATOM 0 HE3 LYS A 75 6.951 0.305 9.285 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 6.369 1.169 11.701 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.102 -0.440 11.228 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.478 -0.039 12.138 1.00 0.32 H new ATOM 420 N MET A 76 12.769 -2.758 6.826 1.00 0.12 N ATOM 421 CA MET A 76 13.855 -3.714 6.773 1.00 0.13 C ATOM 422 C MET A 76 14.792 -3.438 5.597 1.00 0.14 C ATOM 423 O MET A 76 16.013 -3.497 5.744 1.00 0.16 O ATOM 424 CB MET A 76 13.285 -5.134 6.685 1.00 0.14 C ATOM 425 CG MET A 76 12.516 -5.543 7.926 1.00 0.15 C ATOM 426 SD MET A 76 12.200 -7.317 8.020 1.00 0.21 S ATOM 427 CE MET A 76 11.049 -7.526 6.669 1.00 0.40 C ATOM 0 H MET A 76 11.928 -3.054 6.330 1.00 0.12 H new ATOM 0 HA MET A 76 14.443 -3.615 7.685 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.628 -5.202 5.818 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.101 -5.838 6.522 1.00 0.14 H new ATOM 0 HG2 MET A 76 13.075 -5.234 8.809 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.565 -5.010 7.947 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.963 -8.585 6.425 1.00 0.40 H new ATOM 0 HE2 MET A 76 10.072 -7.141 6.960 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.409 -6.980 5.797 1.00 0.40 H new ATOM 437 N GLN A 77 14.232 -3.115 4.435 1.00 0.14 N ATOM 438 CA GLN A 77 15.021 -3.019 3.214 1.00 0.15 C ATOM 439 C GLN A 77 15.274 -1.578 2.747 1.00 0.16 C ATOM 440 O GLN A 77 16.180 -1.345 1.950 1.00 0.22 O ATOM 441 CB GLN A 77 14.338 -3.804 2.094 1.00 0.19 C ATOM 442 CG GLN A 77 12.977 -4.372 2.455 1.00 0.21 C ATOM 443 CD GLN A 77 12.827 -5.821 2.063 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.416 -6.144 0.951 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.131 -6.702 2.991 1.00 0.25 N ATOM 0 H GLN A 77 13.239 -2.916 4.315 1.00 0.14 H new ATOM 0 HA GLN A 77 15.997 -3.444 3.449 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.226 -3.152 1.228 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.990 -4.624 1.793 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.820 -4.273 3.529 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.201 -3.785 1.964 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.469 -6.388 3.901 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.029 -7.699 2.801 1.00 0.25 H new ATOM 454 N THR A 78 14.504 -0.612 3.234 1.00 0.17 N ATOM 455 CA THR A 78 14.617 0.753 2.729 1.00 0.22 C ATOM 456 C THR A 78 15.493 1.599 3.639 1.00 0.30 C ATOM 457 O THR A 78 15.140 2.722 3.981 1.00 0.32 O ATOM 458 CB THR A 78 13.247 1.460 2.572 1.00 0.17 C ATOM 459 OG1 THR A 78 12.654 1.727 3.848 1.00 0.14 O ATOM 460 CG2 THR A 78 12.284 0.638 1.740 1.00 0.22 C ATOM 0 H THR A 78 13.806 -0.743 3.966 1.00 0.17 H new ATOM 0 HA THR A 78 15.068 0.662 1.741 1.00 0.22 H new ATOM 0 HB THR A 78 13.439 2.402 2.058 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.729 0.932 4.416 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.335 1.167 1.653 1.00 0.22 H new ATOM 0 HG22 THR A 78 12.704 0.481 0.747 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.119 -0.326 2.221 1.00 0.22 H new ATOM 468 N ALA A 79 16.614 1.046 4.070 1.00 0.38 N ATOM 469 CA ALA A 79 17.575 1.780 4.885 1.00 0.50 C ATOM 470 C ALA A 79 17.906 3.159 4.323 1.00 0.52 C ATOM 471 O ALA A 79 18.026 4.128 5.073 1.00 0.55 O ATOM 472 CB ALA A 79 18.836 0.963 5.007 1.00 0.67 C ATOM 0 H ALA A 79 16.885 0.084 3.869 1.00 0.38 H new ATOM 0 HA ALA A 79 17.120 1.943 5.862 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.562 1.503 5.615 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.606 0.008 5.479 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.253 0.787 4.015 1.00 0.67 H new ATOM 478 N ASP A 80 18.051 3.245 3.010 1.00 0.53 N ATOM 479 CA ASP A 80 18.419 4.505 2.378 1.00 0.57 C ATOM 480 C ASP A 80 17.210 5.420 2.253 1.00 0.52 C ATOM 481 O ASP A 80 17.340 6.602 1.939 1.00 0.57 O ATOM 482 CB ASP A 80 19.066 4.276 1.011 1.00 0.65 C ATOM 483 CG ASP A 80 18.118 3.716 -0.029 1.00 1.21 C ATOM 484 OD1 ASP A 80 17.632 2.579 0.151 1.00 1.94 O ATOM 485 OD2 ASP A 80 17.836 4.418 -1.017 1.00 1.46 O ATOM 0 H ASP A 80 17.921 2.466 2.365 1.00 0.53 H new ATOM 0 HA ASP A 80 19.155 4.992 3.017 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.471 5.221 0.648 1.00 0.65 H new ATOM 0 HB3 ASP A 80 19.907 3.593 1.128 1.00 0.65 H new ATOM 490 N HIS A 81 16.037 4.869 2.514 1.00 0.43 N ATOM 491 CA HIS A 81 14.802 5.654 2.529 1.00 0.38 C ATOM 492 C HIS A 81 13.903 5.266 3.694 1.00 0.29 C ATOM 493 O HIS A 81 12.853 4.654 3.504 1.00 0.23 O ATOM 494 CB HIS A 81 14.023 5.513 1.215 1.00 0.41 C ATOM 495 CG HIS A 81 14.547 6.383 0.113 1.00 0.61 C ATOM 496 ND1 HIS A 81 13.935 7.556 -0.281 1.00 0.99 N ATOM 497 CD2 HIS A 81 15.634 6.248 -0.678 1.00 0.70 C ATOM 498 CE1 HIS A 81 14.627 8.100 -1.263 1.00 1.08 C ATOM 499 NE2 HIS A 81 15.665 7.327 -1.524 1.00 0.86 N ATOM 0 H HIS A 81 15.908 3.878 2.720 1.00 0.43 H new ATOM 0 HA HIS A 81 15.102 6.695 2.648 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.056 4.472 0.892 1.00 0.41 H new ATOM 0 HB3 HIS A 81 12.976 5.758 1.394 1.00 0.41 H new ATOM 0 HD1 HIS A 81 13.082 7.941 0.124 1.00 0.99 H new ATOM 0 HD2 HIS A 81 16.348 5.438 -0.649 1.00 0.70 H new ATOM 0 HE1 HIS A 81 14.385 9.023 -1.769 1.00 1.08 H new ATOM 508 N PRO A 82 14.296 5.623 4.923 1.00 0.32 N ATOM 509 CA PRO A 82 13.470 5.384 6.102 1.00 0.29 C ATOM 510 C PRO A 82 12.218 6.250 6.081 1.00 0.26 C ATOM 511 O PRO A 82 11.237 5.972 6.773 1.00 0.29 O ATOM 512 CB PRO A 82 14.378 5.758 7.266 1.00 0.38 C ATOM 513 CG PRO A 82 15.404 6.671 6.699 1.00 0.44 C ATOM 514 CD PRO A 82 15.568 6.283 5.260 1.00 0.41 C ATOM 0 HA PRO A 82 13.113 4.356 6.162 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.815 6.248 8.060 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.840 4.872 7.702 1.00 0.38 H new ATOM 0 HG2 PRO A 82 15.090 7.711 6.787 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.347 6.576 7.237 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.745 7.154 4.629 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.415 5.611 5.122 1.00 0.41 H new ATOM 522 N GLU A 83 12.272 7.286 5.252 1.00 0.23 N ATOM 523 CA GLU A 83 11.152 8.196 5.010 1.00 0.21 C ATOM 524 C GLU A 83 10.034 7.499 4.249 1.00 0.17 C ATOM 525 O GLU A 83 8.888 7.941 4.258 1.00 0.18 O ATOM 526 CB GLU A 83 11.645 9.360 4.164 1.00 0.28 C ATOM 527 CG GLU A 83 12.195 8.866 2.850 1.00 0.46 C ATOM 528 CD GLU A 83 13.015 9.880 2.089 1.00 0.55 C ATOM 529 OE1 GLU A 83 13.851 10.554 2.721 1.00 0.95 O ATOM 530 OE2 GLU A 83 12.797 10.039 0.871 1.00 1.01 O ATOM 0 H GLU A 83 13.108 7.524 4.719 1.00 0.23 H new ATOM 0 HA GLU A 83 10.769 8.536 5.972 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.827 10.057 3.983 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.417 9.908 4.704 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.812 7.987 3.037 1.00 0.46 H new ATOM 0 HG3 GLU A 83 11.364 8.545 2.221 1.00 0.46 H new ATOM 537 N VAL A 84 10.387 6.415 3.585 1.00 0.15 N ATOM 538 CA VAL A 84 9.480 5.715 2.706 1.00 0.14 C ATOM 539 C VAL A 84 8.295 5.159 3.468 1.00 0.11 C ATOM 540 O VAL A 84 7.182 5.166 2.972 1.00 0.11 O ATOM 541 CB VAL A 84 10.231 4.612 1.942 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.385 3.382 1.752 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.708 5.145 0.605 1.00 0.21 C ATOM 0 H VAL A 84 11.315 5.996 3.643 1.00 0.15 H new ATOM 0 HA VAL A 84 9.085 6.424 1.979 1.00 0.14 H new ATOM 0 HB VAL A 84 11.093 4.317 2.541 1.00 0.15 H new ATOM 0 HG11 VAL A 84 9.955 2.629 1.208 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.096 2.985 2.725 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.490 3.640 1.185 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.239 4.359 0.069 1.00 0.21 H new ATOM 0 HG22 VAL A 84 9.850 5.470 0.016 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.378 5.989 0.768 1.00 0.21 H new ATOM 553 N VAL A 85 8.537 4.704 4.679 1.00 0.09 N ATOM 554 CA VAL A 85 7.476 4.208 5.523 1.00 0.09 C ATOM 555 C VAL A 85 6.491 5.310 5.912 1.00 0.10 C ATOM 556 O VAL A 85 5.302 5.157 5.704 1.00 0.10 O ATOM 557 CB VAL A 85 8.056 3.527 6.757 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.979 3.276 7.789 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.747 2.248 6.330 1.00 0.11 C ATOM 0 H VAL A 85 9.465 4.668 5.101 1.00 0.09 H new ATOM 0 HA VAL A 85 6.914 3.470 4.950 1.00 0.09 H new ATOM 0 HB VAL A 85 8.791 4.178 7.230 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.417 2.789 8.661 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.534 4.225 8.089 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.209 2.633 7.363 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.166 1.751 7.205 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.025 1.588 5.849 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.547 2.484 5.628 1.00 0.11 H new ATOM 569 N PRO A 86 6.960 6.421 6.499 1.00 0.12 N ATOM 570 CA PRO A 86 6.119 7.592 6.741 1.00 0.14 C ATOM 571 C PRO A 86 5.388 8.048 5.477 1.00 0.14 C ATOM 572 O PRO A 86 4.223 8.425 5.531 1.00 0.18 O ATOM 573 CB PRO A 86 7.082 8.682 7.204 1.00 0.18 C ATOM 574 CG PRO A 86 8.423 8.045 7.359 1.00 0.18 C ATOM 575 CD PRO A 86 8.310 6.587 7.025 1.00 0.14 C ATOM 0 HA PRO A 86 5.344 7.367 7.474 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.123 9.494 6.478 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.749 9.115 8.148 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.147 8.527 6.702 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.784 8.171 8.380 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.059 6.292 6.290 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.468 5.967 7.907 1.00 0.14 H new ATOM 583 N PHE A 87 6.083 7.987 4.340 1.00 0.13 N ATOM 584 CA PHE A 87 5.534 8.376 3.046 1.00 0.14 C ATOM 585 C PHE A 87 4.509 7.347 2.572 1.00 0.12 C ATOM 586 O PHE A 87 3.521 7.686 1.914 1.00 0.12 O ATOM 587 CB PHE A 87 6.681 8.496 2.042 1.00 0.18 C ATOM 588 CG PHE A 87 6.373 9.357 0.870 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.567 8.873 -0.110 1.00 0.35 C ATOM 590 CD2 PHE A 87 6.888 10.636 0.754 1.00 0.85 C ATOM 591 CE1 PHE A 87 5.251 9.635 -1.217 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.586 11.417 -0.347 1.00 1.01 C ATOM 593 CZ PHE A 87 5.762 10.913 -1.336 1.00 0.69 C ATOM 0 H PHE A 87 7.049 7.664 4.294 1.00 0.13 H new ATOM 0 HA PHE A 87 5.026 9.336 3.135 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.557 8.896 2.553 1.00 0.18 H new ATOM 0 HB3 PHE A 87 6.946 7.500 1.688 1.00 0.18 H new ATOM 0 HD1 PHE A 87 5.166 7.874 -0.022 1.00 0.35 H new ATOM 0 HD2 PHE A 87 7.531 11.027 1.529 1.00 0.85 H new ATOM 0 HE1 PHE A 87 4.608 9.234 -1.986 1.00 0.43 H new ATOM 0 HE2 PHE A 87 6.991 12.414 -0.433 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.519 11.516 -2.198 1.00 0.69 H new ATOM 603 N LEU A 88 4.732 6.107 2.969 1.00 0.10 N ATOM 604 CA LEU A 88 3.854 5.005 2.641 1.00 0.09 C ATOM 605 C LEU A 88 2.630 5.128 3.496 1.00 0.08 C ATOM 606 O LEU A 88 1.493 5.076 3.027 1.00 0.09 O ATOM 607 CB LEU A 88 4.544 3.688 2.966 1.00 0.09 C ATOM 608 CG LEU A 88 5.032 2.898 1.772 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.843 1.714 2.236 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.865 2.434 0.934 1.00 0.10 C ATOM 0 H LEU A 88 5.537 5.837 3.534 1.00 0.10 H new ATOM 0 HA LEU A 88 3.599 5.028 1.581 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.394 3.894 3.616 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.852 3.066 3.534 1.00 0.09 H new ATOM 0 HG LEU A 88 5.663 3.542 1.159 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.191 1.150 1.371 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.701 2.063 2.810 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.224 1.072 2.863 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.234 1.867 0.079 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.214 1.800 1.536 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.304 3.299 0.581 1.00 0.10 H new ATOM 622 N TYR A 89 2.913 5.317 4.774 1.00 0.08 N ATOM 623 CA TYR A 89 1.920 5.443 5.786 1.00 0.09 C ATOM 624 C TYR A 89 0.997 6.589 5.439 1.00 0.09 C ATOM 625 O TYR A 89 -0.211 6.445 5.418 1.00 0.11 O ATOM 626 CB TYR A 89 2.617 5.725 7.120 1.00 0.10 C ATOM 627 CG TYR A 89 2.296 4.727 8.179 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.006 4.299 8.334 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.274 4.218 9.013 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.670 3.386 9.293 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.961 3.297 9.984 1.00 0.20 C ATOM 632 CZ TYR A 89 1.651 2.875 10.123 1.00 0.22 C ATOM 633 OH TYR A 89 1.326 1.951 11.087 1.00 0.27 O ATOM 0 H TYR A 89 3.867 5.386 5.128 1.00 0.08 H new ATOM 0 HA TYR A 89 1.337 4.525 5.861 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.695 5.741 6.962 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.331 6.718 7.468 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.237 4.691 7.685 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.296 4.548 8.900 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.355 3.065 9.402 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.731 2.906 10.633 1.00 0.20 H new ATOM 0 HH TYR A 89 2.133 1.696 11.581 1.00 0.27 H new ATOM 643 N ASN A 90 1.615 7.712 5.131 1.00 0.09 N ATOM 644 CA ASN A 90 0.938 8.915 4.691 1.00 0.09 C ATOM 645 C ASN A 90 0.001 8.631 3.539 1.00 0.09 C ATOM 646 O ASN A 90 -1.194 8.881 3.642 1.00 0.10 O ATOM 647 CB ASN A 90 2.017 9.915 4.297 1.00 0.11 C ATOM 648 CG ASN A 90 1.598 10.938 3.284 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.980 11.940 3.616 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.989 10.704 2.041 1.00 0.40 N ATOM 0 H ASN A 90 2.629 7.815 5.181 1.00 0.09 H new ATOM 0 HA ASN A 90 0.318 9.319 5.491 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.356 10.433 5.194 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.873 9.366 3.904 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.777 11.377 1.304 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.502 9.851 1.820 1.00 0.40 H new ATOM 657 N ARG A 91 0.543 8.089 2.460 1.00 0.08 N ATOM 658 CA ARG A 91 -0.255 7.763 1.282 1.00 0.10 C ATOM 659 C ARG A 91 -1.456 6.909 1.656 1.00 0.09 C ATOM 660 O ARG A 91 -2.572 7.171 1.217 1.00 0.11 O ATOM 661 CB ARG A 91 0.590 7.017 0.244 1.00 0.13 C ATOM 662 CG ARG A 91 1.483 7.901 -0.601 1.00 0.16 C ATOM 663 CD ARG A 91 0.666 8.821 -1.488 1.00 0.29 C ATOM 664 NE ARG A 91 1.516 9.683 -2.309 1.00 0.88 N ATOM 665 CZ ARG A 91 1.147 10.867 -2.793 1.00 1.05 C ATOM 666 NH1 ARG A 91 -0.057 11.356 -2.526 1.00 1.35 N ATOM 667 NH2 ARG A 91 1.984 11.563 -3.551 1.00 1.64 N ATOM 0 H ARG A 91 1.534 7.864 2.373 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.606 8.702 0.854 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.211 6.285 0.760 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.077 6.462 -0.416 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.128 8.495 0.046 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.134 7.281 -1.218 1.00 0.16 H new ATOM 0 HD2 ARG A 91 0.022 8.225 -2.134 1.00 0.29 H new ATOM 0 HD3 ARG A 91 0.014 9.437 -0.869 1.00 0.29 H new ATOM 0 HE ARG A 91 2.457 9.354 -2.526 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -0.706 10.824 -1.947 1.00 1.35 H new ATOM 0 HH12 ARG A 91 -0.333 12.264 -2.900 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.910 11.191 -3.763 1.00 1.64 H new ATOM 0 HH22 ARG A 91 1.702 12.470 -3.922 1.00 1.64 H new ATOM 681 N GLN A 92 -1.217 5.901 2.479 1.00 0.09 N ATOM 682 CA GLN A 92 -2.253 4.968 2.882 1.00 0.12 C ATOM 683 C GLN A 92 -3.247 5.641 3.821 1.00 0.11 C ATOM 684 O GLN A 92 -4.458 5.524 3.651 1.00 0.13 O ATOM 685 CB GLN A 92 -1.603 3.761 3.555 1.00 0.18 C ATOM 686 CG GLN A 92 -2.406 2.485 3.429 1.00 0.35 C ATOM 687 CD GLN A 92 -3.345 2.234 4.591 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.805 3.155 5.263 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.637 0.973 4.825 1.00 0.36 N ATOM 0 H GLN A 92 -0.301 5.708 2.885 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.803 4.636 2.002 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.616 3.602 3.120 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.454 3.983 4.612 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -2.986 2.522 2.507 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.720 1.643 3.340 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.233 0.239 4.243 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.267 0.729 5.589 1.00 0.36 H new ATOM 698 N GLN A 93 -2.717 6.364 4.794 1.00 0.12 N ATOM 699 CA GLN A 93 -3.531 7.065 5.774 1.00 0.14 C ATOM 700 C GLN A 93 -4.442 8.089 5.099 1.00 0.16 C ATOM 701 O GLN A 93 -5.565 8.325 5.540 1.00 0.20 O ATOM 702 CB GLN A 93 -2.640 7.766 6.812 1.00 0.15 C ATOM 703 CG GLN A 93 -1.957 6.821 7.787 1.00 0.15 C ATOM 704 CD GLN A 93 -2.889 5.795 8.389 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.548 6.046 9.396 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.912 4.615 7.795 1.00 0.22 N ATOM 0 H GLN A 93 -1.713 6.482 4.927 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.154 6.326 6.279 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.878 8.344 6.289 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.247 8.475 7.375 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.146 6.305 7.272 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.505 7.404 8.589 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.348 4.453 6.961 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.494 3.866 8.171 1.00 0.22 H new ATOM 715 N ARG A 94 -3.944 8.696 4.027 1.00 0.14 N ATOM 716 CA ARG A 94 -4.687 9.724 3.315 1.00 0.15 C ATOM 717 C ARG A 94 -5.369 9.171 2.070 1.00 0.14 C ATOM 718 O ARG A 94 -5.934 9.917 1.268 1.00 0.19 O ATOM 719 CB ARG A 94 -3.754 10.870 2.970 1.00 0.21 C ATOM 720 CG ARG A 94 -2.756 10.575 1.880 1.00 0.76 C ATOM 721 CD ARG A 94 -1.608 11.569 1.942 1.00 0.64 C ATOM 722 NE ARG A 94 -2.106 12.955 1.961 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.342 14.046 2.080 1.00 1.04 C ATOM 724 NH1 ARG A 94 -0.035 13.944 2.256 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.901 15.248 2.047 1.00 1.40 N ATOM 0 H ARG A 94 -3.026 8.491 3.633 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.481 10.092 3.965 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.354 11.729 2.669 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.211 11.160 3.870 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.375 9.560 1.990 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.242 10.629 0.906 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.009 11.382 2.834 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -0.953 11.427 1.083 1.00 0.64 H new ATOM 0 HE ARG A 94 -3.113 13.094 1.877 1.00 0.86 H new ATOM 0 HH11 ARG A 94 0.403 13.024 2.303 1.00 1.60 H new ATOM 0 HH12 ARG A 94 0.535 14.785 2.345 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.910 15.338 1.931 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.322 16.083 2.137 1.00 1.40 H new ATOM 739 N ALA A 95 -5.299 7.866 1.905 1.00 0.12 N ATOM 740 CA ALA A 95 -6.036 7.189 0.843 1.00 0.12 C ATOM 741 C ALA A 95 -7.498 7.029 1.239 1.00 0.13 C ATOM 742 O ALA A 95 -7.870 7.276 2.388 1.00 0.17 O ATOM 743 CB ALA A 95 -5.418 5.833 0.523 1.00 0.13 C ATOM 0 H ALA A 95 -4.739 7.247 2.491 1.00 0.12 H new ATOM 0 HA ALA A 95 -5.979 7.803 -0.056 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -5.988 5.352 -0.272 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.387 5.971 0.198 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.437 5.205 1.414 1.00 0.13 H new ATOM 749 N HIS A 96 -8.329 6.631 0.288 1.00 0.12 N ATOM 750 CA HIS A 96 -9.751 6.464 0.538 1.00 0.13 C ATOM 751 C HIS A 96 -9.989 5.263 1.430 1.00 0.13 C ATOM 752 O HIS A 96 -9.628 4.147 1.075 1.00 0.12 O ATOM 753 CB HIS A 96 -10.485 6.257 -0.781 1.00 0.14 C ATOM 754 CG HIS A 96 -11.913 6.697 -0.751 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.789 6.223 0.188 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.554 7.583 -1.546 1.00 0.23 C ATOM 757 CE1 HIS A 96 -13.937 6.830 -0.050 1.00 0.23 C ATOM 758 NE2 HIS A 96 -13.844 7.668 -1.092 1.00 0.25 N ATOM 0 H HIS A 96 -8.041 6.417 -0.667 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.125 7.360 1.032 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -9.963 6.803 -1.567 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.445 5.201 -1.046 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.130 8.122 -2.381 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.838 6.671 0.523 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.587 8.254 -1.472 1.00 0.25 H new ATOM 766 N SER A 97 -10.582 5.503 2.594 1.00 0.16 N ATOM 767 CA SER A 97 -10.936 4.440 3.527 1.00 0.20 C ATOM 768 C SER A 97 -11.733 3.319 2.854 1.00 0.18 C ATOM 769 O SER A 97 -11.598 2.153 3.223 1.00 0.18 O ATOM 770 CB SER A 97 -11.726 5.034 4.692 1.00 0.29 C ATOM 771 OG SER A 97 -12.717 5.935 4.221 1.00 1.32 O ATOM 0 H SER A 97 -10.830 6.438 2.917 1.00 0.16 H new ATOM 0 HA SER A 97 -10.013 3.992 3.895 1.00 0.20 H new ATOM 0 HB2 SER A 97 -12.197 4.234 5.263 1.00 0.29 H new ATOM 0 HB3 SER A 97 -11.048 5.553 5.370 1.00 0.29 H new ATOM 0 HG SER A 97 -13.213 6.303 4.982 1.00 1.32 H new ATOM 777 N LEU A 98 -12.576 3.674 1.885 1.00 0.18 N ATOM 778 CA LEU A 98 -13.286 2.686 1.077 1.00 0.18 C ATOM 779 C LEU A 98 -12.331 1.852 0.253 1.00 0.15 C ATOM 780 O LEU A 98 -12.477 0.642 0.148 1.00 0.18 O ATOM 781 CB LEU A 98 -14.238 3.381 0.125 1.00 0.21 C ATOM 782 CG LEU A 98 -15.560 3.828 0.723 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.446 4.374 -0.375 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.247 2.680 1.447 1.00 0.61 C ATOM 0 H LEU A 98 -12.784 4.642 1.641 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.829 2.038 1.765 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.734 4.254 -0.290 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.446 2.708 -0.707 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.370 4.612 1.456 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.396 4.696 0.051 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -15.955 5.223 -0.850 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.626 3.597 -1.118 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.191 3.027 1.866 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.438 1.869 0.744 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.604 2.320 2.250 1.00 0.61 H new ATOM 796 N PHE A 99 -11.357 2.525 -0.325 1.00 0.12 N ATOM 797 CA PHE A 99 -10.357 1.874 -1.159 1.00 0.11 C ATOM 798 C PHE A 99 -9.464 0.994 -0.299 1.00 0.11 C ATOM 799 O PHE A 99 -9.142 -0.137 -0.666 1.00 0.12 O ATOM 800 CB PHE A 99 -9.513 2.915 -1.895 1.00 0.12 C ATOM 801 CG PHE A 99 -8.281 2.341 -2.520 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.383 1.399 -3.521 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.022 2.748 -2.108 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.254 0.866 -4.106 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.888 2.219 -2.686 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.002 1.278 -3.687 1.00 0.18 C ATOM 0 H PHE A 99 -11.233 3.533 -0.233 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.866 1.256 -1.899 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.120 3.384 -2.669 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.226 3.700 -1.196 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.359 1.075 -3.851 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.928 3.487 -1.326 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.347 0.129 -4.890 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.912 2.541 -2.355 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.115 0.863 -4.143 1.00 0.18 H new ATOM 816 N LEU A 100 -9.083 1.525 0.851 1.00 0.12 N ATOM 817 CA LEU A 100 -8.288 0.798 1.825 1.00 0.14 C ATOM 818 C LEU A 100 -9.060 -0.401 2.347 1.00 0.16 C ATOM 819 O LEU A 100 -8.480 -1.353 2.850 1.00 0.21 O ATOM 820 CB LEU A 100 -7.925 1.725 2.978 1.00 0.17 C ATOM 821 CG LEU A 100 -7.248 3.018 2.557 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.353 4.053 3.658 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.804 2.744 2.216 1.00 0.22 C ATOM 0 H LEU A 100 -9.318 2.476 1.136 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.376 0.442 1.345 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.832 1.968 3.532 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.267 1.191 3.663 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.750 3.415 1.674 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.863 4.973 3.340 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.403 4.255 3.868 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.868 3.676 4.559 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.319 3.672 1.914 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.295 2.336 3.089 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.753 2.025 1.398 1.00 0.22 H new ATOM 835 N ALA A 101 -10.376 -0.341 2.247 1.00 0.16 N ATOM 836 CA ALA A 101 -11.214 -1.472 2.600 1.00 0.19 C ATOM 837 C ALA A 101 -11.752 -2.178 1.356 1.00 0.21 C ATOM 838 O ALA A 101 -12.620 -3.044 1.458 1.00 0.37 O ATOM 839 CB ALA A 101 -12.364 -1.015 3.488 1.00 0.23 C ATOM 0 H ALA A 101 -10.888 0.480 1.924 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.601 -2.187 3.149 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -12.986 -1.872 3.747 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -11.965 -0.568 4.399 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -12.965 -0.278 2.955 1.00 0.23 H new ATOM 845 N SER A 102 -11.233 -1.827 0.182 1.00 0.13 N ATOM 846 CA SER A 102 -11.728 -2.411 -1.054 1.00 0.15 C ATOM 847 C SER A 102 -10.795 -3.495 -1.562 1.00 0.17 C ATOM 848 O SER A 102 -9.634 -3.596 -1.153 1.00 0.25 O ATOM 849 CB SER A 102 -11.942 -1.354 -2.135 1.00 0.18 C ATOM 850 OG SER A 102 -13.099 -1.645 -2.900 1.00 1.40 O ATOM 0 H SER A 102 -10.480 -1.150 0.064 1.00 0.13 H new ATOM 0 HA SER A 102 -12.694 -2.861 -0.826 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.043 -0.371 -1.674 1.00 0.18 H new ATOM 0 HB3 SER A 102 -11.070 -1.313 -2.787 1.00 0.18 H new ATOM 0 HG SER A 102 -13.220 -0.955 -3.586 1.00 1.40 H new ATOM 856 N ALA A 103 -11.342 -4.303 -2.444 1.00 0.20 N ATOM 857 CA ALA A 103 -10.642 -5.431 -3.026 1.00 0.21 C ATOM 858 C ALA A 103 -9.378 -5.005 -3.759 1.00 0.18 C ATOM 859 O ALA A 103 -8.358 -5.690 -3.694 1.00 0.19 O ATOM 860 CB ALA A 103 -11.573 -6.145 -3.980 1.00 0.27 C ATOM 0 H ALA A 103 -12.298 -4.195 -2.783 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.337 -6.097 -2.218 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -11.056 -6.996 -4.424 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.451 -6.496 -3.437 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.884 -5.458 -4.767 1.00 0.27 H new ATOM 866 N GLU A 104 -9.450 -3.882 -4.464 1.00 0.17 N ATOM 867 CA GLU A 104 -8.330 -3.447 -5.295 1.00 0.17 C ATOM 868 C GLU A 104 -7.057 -3.239 -4.485 1.00 0.14 C ATOM 869 O GLU A 104 -5.978 -3.619 -4.932 1.00 0.14 O ATOM 870 CB GLU A 104 -8.643 -2.179 -6.064 1.00 0.22 C ATOM 871 CG GLU A 104 -7.735 -2.014 -7.268 1.00 0.30 C ATOM 872 CD GLU A 104 -7.960 -0.729 -8.035 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.073 -0.534 -8.565 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.037 0.111 -8.081 1.00 1.70 O ATOM 0 H GLU A 104 -10.260 -3.262 -4.479 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.165 -4.257 -6.006 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.682 -2.200 -6.392 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.534 -1.318 -5.405 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.697 -2.050 -6.936 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -7.884 -2.858 -7.941 1.00 0.30 H new ATOM 881 N PHE A 105 -7.163 -2.649 -3.300 1.00 0.13 N ATOM 882 CA PHE A 105 -5.986 -2.437 -2.478 1.00 0.13 C ATOM 883 C PHE A 105 -5.425 -3.779 -2.040 1.00 0.12 C ATOM 884 O PHE A 105 -4.217 -3.958 -1.999 1.00 0.13 O ATOM 885 CB PHE A 105 -6.311 -1.562 -1.261 1.00 0.13 C ATOM 886 CG PHE A 105 -5.085 -1.063 -0.546 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.941 -0.778 -1.266 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.071 -0.872 0.830 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.804 -0.315 -0.638 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.932 -0.407 1.464 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.799 -0.127 0.724 1.00 0.14 C ATOM 0 H PHE A 105 -8.038 -2.315 -2.895 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.236 -1.911 -3.069 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.908 -0.709 -1.584 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.923 -2.134 -0.564 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.937 -0.920 -2.337 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.956 -1.088 1.410 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.917 -0.100 -1.216 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.929 -0.263 2.534 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.910 0.239 1.215 1.00 0.14 H new ATOM 901 N CYS A 106 -6.314 -4.728 -1.761 1.00 0.13 N ATOM 902 CA CYS A 106 -5.904 -6.086 -1.424 1.00 0.15 C ATOM 903 C CYS A 106 -5.110 -6.672 -2.580 1.00 0.15 C ATOM 904 O CYS A 106 -4.041 -7.259 -2.401 1.00 0.16 O ATOM 905 CB CYS A 106 -7.138 -6.957 -1.137 1.00 0.19 C ATOM 906 SG CYS A 106 -6.775 -8.712 -0.883 1.00 0.29 S ATOM 0 H CYS A 106 -7.323 -4.581 -1.762 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.281 -6.063 -0.530 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.641 -6.571 -0.251 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.837 -6.860 -1.968 1.00 0.19 H new ATOM 0 HG CYS A 106 -6.739 -8.968 0.391 1.00 0.29 H new ATOM 912 N ASN A 107 -5.660 -6.485 -3.767 1.00 0.14 N ATOM 913 CA ASN A 107 -5.044 -6.916 -5.014 1.00 0.16 C ATOM 914 C ASN A 107 -3.653 -6.334 -5.151 1.00 0.15 C ATOM 915 O ASN A 107 -2.666 -7.055 -5.266 1.00 0.17 O ATOM 916 CB ASN A 107 -5.892 -6.429 -6.191 1.00 0.18 C ATOM 917 CG ASN A 107 -6.155 -7.513 -7.216 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.369 -8.448 -7.360 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.253 -7.386 -7.946 1.00 0.34 N ATOM 0 H ASN A 107 -6.560 -6.023 -3.896 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.980 -8.004 -5.010 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.843 -6.052 -5.816 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.387 -5.593 -6.675 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.473 -8.080 -8.661 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.878 -6.594 -7.794 1.00 0.34 H new ATOM 926 N ILE A 108 -3.601 -5.015 -5.102 1.00 0.13 N ATOM 927 CA ILE A 108 -2.377 -4.258 -5.287 1.00 0.13 C ATOM 928 C ILE A 108 -1.352 -4.627 -4.225 1.00 0.11 C ATOM 929 O ILE A 108 -0.178 -4.842 -4.517 1.00 0.12 O ATOM 930 CB ILE A 108 -2.719 -2.758 -5.206 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.501 -2.344 -6.451 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.479 -1.903 -5.022 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.288 -1.065 -6.278 1.00 0.17 C ATOM 0 H ILE A 108 -4.420 -4.432 -4.930 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.943 -4.490 -6.260 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.341 -2.594 -4.326 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.806 -2.223 -7.282 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.186 -3.147 -6.723 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.766 -0.853 -4.970 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -0.974 -2.188 -4.099 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.805 -2.054 -5.865 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.817 -0.835 -7.203 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.008 -1.188 -5.469 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.607 -0.249 -6.037 1.00 0.17 H new ATOM 945 N LEU A 109 -1.835 -4.719 -3.004 1.00 0.09 N ATOM 946 CA LEU A 109 -1.024 -5.065 -1.856 1.00 0.08 C ATOM 947 C LEU A 109 -0.419 -6.449 -1.981 1.00 0.09 C ATOM 948 O LEU A 109 0.796 -6.615 -1.900 1.00 0.10 O ATOM 949 CB LEU A 109 -1.884 -4.972 -0.616 1.00 0.08 C ATOM 950 CG LEU A 109 -1.818 -3.618 0.064 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.778 -3.559 1.218 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.410 -3.341 0.534 1.00 0.07 C ATOM 0 H LEU A 109 -2.816 -4.553 -2.778 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.191 -4.365 -1.793 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.919 -5.185 -0.884 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.573 -5.741 0.091 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.104 -2.852 -0.657 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.716 -2.580 1.693 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.793 -3.723 0.856 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.523 -4.331 1.944 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.374 -2.366 1.021 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.104 -4.112 1.242 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.266 -3.345 -0.321 1.00 0.07 H new ATOM 964 N SER A 110 -1.270 -7.436 -2.180 1.00 0.10 N ATOM 965 CA SER A 110 -0.823 -8.808 -2.334 1.00 0.12 C ATOM 966 C SER A 110 0.184 -8.914 -3.475 1.00 0.12 C ATOM 967 O SER A 110 1.164 -9.659 -3.393 1.00 0.14 O ATOM 968 CB SER A 110 -2.024 -9.713 -2.578 1.00 0.15 C ATOM 969 OG SER A 110 -1.630 -11.056 -2.789 1.00 1.15 O ATOM 0 H SER A 110 -2.281 -7.313 -2.239 1.00 0.10 H new ATOM 0 HA SER A 110 -0.325 -9.130 -1.419 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.699 -9.661 -1.724 1.00 0.15 H new ATOM 0 HB3 SER A 110 -2.579 -9.356 -3.445 1.00 0.15 H new ATOM 0 HG SER A 110 -2.424 -11.610 -2.941 1.00 1.15 H new ATOM 975 N ARG A 111 -0.068 -8.148 -4.533 1.00 0.11 N ATOM 976 CA ARG A 111 0.821 -8.073 -5.677 1.00 0.12 C ATOM 977 C ARG A 111 2.193 -7.566 -5.283 1.00 0.11 C ATOM 978 O ARG A 111 3.198 -8.249 -5.475 1.00 0.13 O ATOM 979 CB ARG A 111 0.206 -7.149 -6.723 1.00 0.16 C ATOM 980 CG ARG A 111 -0.754 -7.867 -7.642 1.00 0.26 C ATOM 981 CD ARG A 111 -1.801 -6.938 -8.247 1.00 0.99 C ATOM 982 NE ARG A 111 -1.226 -5.894 -9.094 1.00 1.81 N ATOM 983 CZ ARG A 111 -1.942 -4.900 -9.625 1.00 2.57 C ATOM 984 NH1 ARG A 111 -3.249 -4.831 -9.401 1.00 2.67 N ATOM 985 NH2 ARG A 111 -1.355 -3.985 -10.386 1.00 3.55 N ATOM 0 H ARG A 111 -0.899 -7.562 -4.616 1.00 0.11 H new ATOM 0 HA ARG A 111 0.945 -9.076 -6.086 1.00 0.12 H new ATOM 0 HB2 ARG A 111 -0.318 -6.336 -6.221 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.001 -6.698 -7.316 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.192 -8.345 -8.444 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.256 -8.660 -7.088 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -2.504 -7.528 -8.835 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -2.371 -6.472 -7.443 1.00 0.99 H new ATOM 0 HE ARG A 111 -0.225 -5.927 -9.289 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -3.705 -5.537 -8.824 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -3.797 -4.072 -9.806 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -0.353 -4.039 -10.567 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -1.906 -3.227 -10.790 1.00 3.55 H new ATOM 999 N VAL A 112 2.229 -6.379 -4.709 1.00 0.10 N ATOM 1000 CA VAL A 112 3.498 -5.742 -4.383 1.00 0.10 C ATOM 1001 C VAL A 112 4.245 -6.479 -3.294 1.00 0.11 C ATOM 1002 O VAL A 112 5.437 -6.658 -3.399 1.00 0.12 O ATOM 1003 CB VAL A 112 3.358 -4.267 -3.959 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.095 -3.390 -5.157 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.274 -4.073 -2.924 1.00 0.10 C ATOM 0 H VAL A 112 1.402 -5.836 -4.459 1.00 0.10 H new ATOM 0 HA VAL A 112 4.063 -5.781 -5.314 1.00 0.10 H new ATOM 0 HB VAL A 112 4.305 -3.975 -3.504 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.000 -2.353 -4.835 1.00 0.11 H new ATOM 0 HG12 VAL A 112 3.923 -3.477 -5.860 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.172 -3.705 -5.643 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.212 -3.018 -2.656 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.318 -4.400 -3.333 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.509 -4.660 -2.036 1.00 0.10 H new ATOM 1015 N LEU A 113 3.545 -6.892 -2.252 1.00 0.10 N ATOM 1016 CA LEU A 113 4.167 -7.601 -1.139 1.00 0.11 C ATOM 1017 C LEU A 113 4.922 -8.832 -1.605 1.00 0.12 C ATOM 1018 O LEU A 113 6.100 -9.025 -1.294 1.00 0.14 O ATOM 1019 CB LEU A 113 3.102 -8.005 -0.137 1.00 0.11 C ATOM 1020 CG LEU A 113 3.003 -7.066 1.043 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.610 -6.475 1.143 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.383 -7.791 2.311 1.00 0.28 C ATOM 0 H LEU A 113 2.540 -6.749 -2.150 1.00 0.10 H new ATOM 0 HA LEU A 113 4.886 -6.927 -0.672 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.136 -8.047 -0.641 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.317 -9.011 0.225 1.00 0.11 H new ATOM 0 HG LEU A 113 3.700 -6.241 0.898 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.561 -5.802 1.999 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.384 -5.921 0.232 1.00 0.31 H new ATOM 0 HD13 LEU A 113 0.883 -7.277 1.270 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.309 -7.108 3.157 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.708 -8.633 2.465 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.406 -8.157 2.228 1.00 0.28 H new ATOM 1034 N SER A 114 4.217 -9.654 -2.343 1.00 0.13 N ATOM 1035 CA SER A 114 4.772 -10.885 -2.891 1.00 0.15 C ATOM 1036 C SER A 114 5.980 -10.586 -3.769 1.00 0.15 C ATOM 1037 O SER A 114 6.997 -11.278 -3.710 1.00 0.17 O ATOM 1038 CB SER A 114 3.707 -11.636 -3.689 1.00 0.17 C ATOM 1039 OG SER A 114 2.568 -11.902 -2.884 1.00 1.00 O ATOM 0 H SER A 114 3.239 -9.495 -2.586 1.00 0.13 H new ATOM 0 HA SER A 114 5.098 -11.515 -2.063 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.414 -11.047 -4.558 1.00 0.17 H new ATOM 0 HB3 SER A 114 4.120 -12.573 -4.064 1.00 0.17 H new ATOM 0 HG SER A 114 1.935 -11.157 -2.956 1.00 1.00 H new ATOM 1045 N ARG A 115 5.865 -9.534 -4.563 1.00 0.13 N ATOM 1046 CA ARG A 115 6.949 -9.103 -5.419 1.00 0.14 C ATOM 1047 C ARG A 115 8.076 -8.489 -4.599 1.00 0.14 C ATOM 1048 O ARG A 115 9.242 -8.681 -4.898 1.00 0.18 O ATOM 1049 CB ARG A 115 6.420 -8.089 -6.426 1.00 0.17 C ATOM 1050 CG ARG A 115 5.501 -8.700 -7.463 1.00 0.24 C ATOM 1051 CD ARG A 115 4.975 -7.650 -8.417 1.00 0.35 C ATOM 1052 NE ARG A 115 4.357 -8.247 -9.598 1.00 0.84 N ATOM 1053 CZ ARG A 115 4.435 -7.731 -10.821 1.00 1.19 C ATOM 1054 NH1 ARG A 115 5.070 -6.582 -11.016 1.00 1.20 N ATOM 1055 NH2 ARG A 115 3.876 -8.361 -11.848 1.00 1.83 N ATOM 0 H ARG A 115 5.024 -8.961 -4.630 1.00 0.13 H new ATOM 0 HA ARG A 115 7.349 -9.969 -5.946 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.884 -7.303 -5.893 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.262 -7.615 -6.931 1.00 0.17 H new ATOM 0 HG2 ARG A 115 6.038 -9.466 -8.022 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.666 -9.194 -6.966 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.245 -7.025 -7.902 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.792 -6.998 -8.725 1.00 0.35 H new ATOM 0 HE ARG A 115 3.833 -9.114 -9.477 1.00 0.84 H new ATOM 0 HH11 ARG A 115 5.498 -6.096 -10.228 1.00 1.20 H new ATOM 0 HH12 ARG A 115 5.130 -6.185 -11.954 1.00 1.20 H new ATOM 0 HH21 ARG A 115 3.385 -9.243 -11.700 1.00 1.83 H new ATOM 0 HH22 ARG A 115 3.937 -7.963 -12.785 1.00 1.83 H new ATOM 1069 N ALA A 116 7.704 -7.751 -3.571 1.00 0.13 N ATOM 1070 CA ALA A 116 8.660 -7.020 -2.737 1.00 0.14 C ATOM 1071 C ALA A 116 9.576 -7.958 -1.961 1.00 0.16 C ATOM 1072 O ALA A 116 10.777 -7.725 -1.867 1.00 0.18 O ATOM 1073 CB ALA A 116 7.915 -6.087 -1.798 1.00 0.15 C ATOM 0 H ALA A 116 6.732 -7.636 -3.284 1.00 0.13 H new ATOM 0 HA ALA A 116 9.299 -6.430 -3.394 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.631 -5.545 -1.180 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.328 -5.377 -2.381 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.250 -6.668 -1.159 1.00 0.15 H new ATOM 1079 N ARG A 117 9.009 -9.016 -1.409 1.00 0.19 N ATOM 1080 CA ARG A 117 9.801 -9.996 -0.676 1.00 0.24 C ATOM 1081 C ARG A 117 10.694 -10.796 -1.616 1.00 0.26 C ATOM 1082 O ARG A 117 11.701 -11.368 -1.204 1.00 0.32 O ATOM 1083 CB ARG A 117 8.903 -10.930 0.126 1.00 0.28 C ATOM 1084 CG ARG A 117 8.575 -10.381 1.496 1.00 0.61 C ATOM 1085 CD ARG A 117 7.164 -9.816 1.580 1.00 0.34 C ATOM 1086 NE ARG A 117 6.845 -9.345 2.935 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.880 -9.865 3.706 1.00 1.38 C ATOM 1088 NH1 ARG A 117 5.192 -10.923 3.295 1.00 1.30 N ATOM 1089 NH2 ARG A 117 5.626 -9.349 4.903 1.00 2.33 N ATOM 0 H ARG A 117 8.011 -9.221 -1.452 1.00 0.19 H new ATOM 0 HA ARG A 117 10.440 -9.451 0.018 1.00 0.24 H new ATOM 0 HB2 ARG A 117 7.978 -11.101 -0.425 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.394 -11.897 0.233 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.690 -11.172 2.237 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.291 -9.599 1.751 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.060 -8.992 0.875 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.447 -10.582 1.283 1.00 0.34 H new ATOM 0 HE ARG A 117 7.393 -8.573 3.313 1.00 1.22 H new ATOM 0 HH11 ARG A 117 5.397 -11.344 2.389 1.00 1.30 H new ATOM 0 HH12 ARG A 117 4.459 -11.315 3.885 1.00 1.30 H new ATOM 0 HH21 ARG A 117 6.167 -8.552 5.240 1.00 2.33 H new ATOM 0 HH22 ARG A 117 4.890 -9.749 5.485 1.00 2.33 H new ATOM 1103 N SER A 118 10.309 -10.823 -2.874 1.00 0.26 N ATOM 1104 CA SER A 118 11.063 -11.520 -3.909 1.00 0.31 C ATOM 1105 C SER A 118 12.086 -10.589 -4.539 1.00 0.28 C ATOM 1106 O SER A 118 13.194 -10.992 -4.899 1.00 0.32 O ATOM 1107 CB SER A 118 10.102 -12.016 -4.979 1.00 0.37 C ATOM 1108 OG SER A 118 10.499 -13.273 -5.502 1.00 0.68 O ATOM 0 H SER A 118 9.464 -10.364 -3.214 1.00 0.26 H new ATOM 0 HA SER A 118 11.588 -12.363 -3.459 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.100 -12.098 -4.558 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.050 -11.286 -5.787 1.00 0.37 H new ATOM 0 HG SER A 118 9.858 -13.561 -6.185 1.00 0.68 H new ATOM 1114 N ARG A 119 11.697 -9.341 -4.659 1.00 0.23 N ATOM 1115 CA ARG A 119 12.494 -8.332 -5.306 1.00 0.20 C ATOM 1116 C ARG A 119 12.588 -7.090 -4.450 1.00 0.18 C ATOM 1117 O ARG A 119 11.971 -6.068 -4.750 1.00 0.17 O ATOM 1118 CB ARG A 119 11.873 -7.989 -6.644 1.00 0.25 C ATOM 1119 CG ARG A 119 12.372 -8.857 -7.766 1.00 0.33 C ATOM 1120 CD ARG A 119 13.699 -8.338 -8.298 1.00 0.33 C ATOM 1121 NE ARG A 119 14.291 -9.233 -9.288 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.591 -9.520 -9.347 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.421 -9.046 -8.423 1.00 1.48 N ATOM 1124 NH2 ARG A 119 16.057 -10.292 -10.324 1.00 1.19 N ATOM 0 H ARG A 119 10.805 -8.996 -4.304 1.00 0.23 H new ATOM 0 HA ARG A 119 13.502 -8.720 -5.454 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.790 -8.087 -6.571 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.083 -6.946 -6.879 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.491 -9.882 -7.414 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.636 -8.880 -8.570 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.549 -7.355 -8.745 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.394 -8.208 -7.468 1.00 0.33 H new ATOM 0 HE ARG A 119 13.673 -9.664 -9.975 1.00 0.55 H new ATOM 0 HH11 ARG A 119 16.063 -8.462 -7.667 1.00 1.48 H new ATOM 0 HH12 ARG A 119 17.416 -9.267 -8.470 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.420 -10.664 -11.028 1.00 1.19 H new ATOM 0 HH22 ARG A 119 17.052 -10.512 -10.370 1.00 1.19 H new ATOM 1138 N PRO A 120 13.371 -7.159 -3.381 1.00 0.19 N ATOM 1139 CA PRO A 120 13.573 -6.034 -2.472 1.00 0.19 C ATOM 1140 C PRO A 120 14.327 -4.884 -3.136 1.00 0.20 C ATOM 1141 O PRO A 120 14.435 -3.790 -2.581 1.00 0.21 O ATOM 1142 CB PRO A 120 14.385 -6.656 -1.344 1.00 0.23 C ATOM 1143 CG PRO A 120 15.116 -7.757 -2.003 1.00 0.25 C ATOM 1144 CD PRO A 120 14.119 -8.348 -2.942 1.00 0.22 C ATOM 0 HA PRO A 120 12.637 -5.586 -2.139 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.068 -5.934 -0.897 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.742 -7.024 -0.544 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.994 -7.390 -2.534 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.466 -8.493 -1.279 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.598 -8.860 -3.777 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.475 -9.076 -2.449 1.00 0.22 H new ATOM 1152 N ALA A 121 14.837 -5.130 -4.342 1.00 0.20 N ATOM 1153 CA ALA A 121 15.451 -4.070 -5.131 1.00 0.22 C ATOM 1154 C ALA A 121 14.364 -3.266 -5.809 1.00 0.19 C ATOM 1155 O ALA A 121 14.476 -2.053 -6.008 1.00 0.21 O ATOM 1156 CB ALA A 121 16.382 -4.646 -6.178 1.00 0.25 C ATOM 0 H ALA A 121 14.836 -6.047 -4.789 1.00 0.20 H new ATOM 0 HA ALA A 121 16.034 -3.431 -4.468 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.828 -3.835 -6.754 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.169 -5.219 -5.689 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.819 -5.299 -6.846 1.00 0.25 H new ATOM 1162 N LYS A 122 13.306 -3.973 -6.156 1.00 0.16 N ATOM 1163 CA LYS A 122 12.162 -3.374 -6.801 1.00 0.16 C ATOM 1164 C LYS A 122 11.149 -2.922 -5.769 1.00 0.11 C ATOM 1165 O LYS A 122 10.078 -2.452 -6.118 1.00 0.11 O ATOM 1166 CB LYS A 122 11.522 -4.352 -7.766 1.00 0.20 C ATOM 1167 CG LYS A 122 12.483 -4.824 -8.825 1.00 0.27 C ATOM 1168 CD LYS A 122 11.835 -4.906 -10.183 1.00 0.41 C ATOM 1169 CE LYS A 122 10.607 -5.770 -10.159 1.00 0.79 C ATOM 1170 NZ LYS A 122 10.021 -5.939 -11.511 1.00 1.07 N ATOM 0 H LYS A 122 13.219 -4.977 -5.998 1.00 0.16 H new ATOM 0 HA LYS A 122 12.503 -2.504 -7.362 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.145 -5.212 -7.212 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.663 -3.879 -8.243 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.334 -4.144 -8.870 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.872 -5.804 -8.550 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.569 -3.904 -10.521 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.548 -5.307 -10.903 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.859 -6.748 -9.748 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.865 -5.327 -9.495 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 9.176 -6.542 -11.450 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.756 -5.009 -11.893 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.720 -6.385 -12.139 1.00 1.07 H new ATOM 1184 N LEU A 123 11.475 -3.115 -4.495 1.00 0.10 N ATOM 1185 CA LEU A 123 10.662 -2.612 -3.402 1.00 0.08 C ATOM 1186 C LEU A 123 10.225 -1.175 -3.639 1.00 0.08 C ATOM 1187 O LEU A 123 9.069 -0.852 -3.448 1.00 0.13 O ATOM 1188 CB LEU A 123 11.446 -2.703 -2.106 1.00 0.12 C ATOM 1189 CG LEU A 123 10.717 -2.196 -0.874 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.411 -2.935 -0.684 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.592 -2.351 0.343 1.00 0.23 C ATOM 0 H LEU A 123 12.307 -3.623 -4.196 1.00 0.10 H new ATOM 0 HA LEU A 123 9.763 -3.226 -3.340 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.725 -3.744 -1.941 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.372 -2.139 -2.219 1.00 0.12 H new ATOM 0 HG LEU A 123 10.492 -1.139 -1.013 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.905 -2.557 0.204 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.776 -2.782 -1.557 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.610 -4.000 -0.562 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.061 -1.985 1.222 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.840 -3.403 0.481 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.509 -1.777 0.208 1.00 0.23 H new ATOM 1203 N TYR A 124 11.138 -0.328 -4.092 1.00 0.11 N ATOM 1204 CA TYR A 124 10.816 1.035 -4.415 1.00 0.10 C ATOM 1205 C TYR A 124 9.814 1.108 -5.549 1.00 0.11 C ATOM 1206 O TYR A 124 8.985 1.995 -5.575 1.00 0.14 O ATOM 1207 CB TYR A 124 12.100 1.770 -4.753 1.00 0.14 C ATOM 1208 CG TYR A 124 12.975 1.821 -3.549 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.383 2.024 -2.337 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.346 1.649 -3.600 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.108 2.069 -1.184 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.102 1.693 -2.444 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.472 1.903 -1.230 1.00 1.45 C ATOM 1214 OH TYR A 124 15.195 1.931 -0.062 1.00 1.89 O ATOM 0 H TYR A 124 12.116 -0.575 -4.242 1.00 0.11 H new ATOM 0 HA TYR A 124 10.346 1.513 -3.556 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.616 1.265 -5.570 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.874 2.780 -5.095 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.312 2.152 -2.290 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.830 1.479 -4.551 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.613 2.234 -0.238 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.173 1.565 -2.488 1.00 1.74 H new ATOM 0 HH TYR A 124 16.151 1.862 -0.267 1.00 1.89 H new ATOM 1224 N VAL A 125 9.836 0.137 -6.441 1.00 0.10 N ATOM 1225 CA VAL A 125 8.875 0.105 -7.529 1.00 0.12 C ATOM 1226 C VAL A 125 7.499 -0.093 -6.934 1.00 0.11 C ATOM 1227 O VAL A 125 6.531 0.563 -7.293 1.00 0.14 O ATOM 1228 CB VAL A 125 9.146 -1.064 -8.494 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.165 -1.040 -9.636 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.568 -1.038 -9.006 1.00 0.18 C ATOM 0 H VAL A 125 10.503 -0.635 -6.436 1.00 0.10 H new ATOM 0 HA VAL A 125 8.953 1.040 -8.085 1.00 0.12 H new ATOM 0 HB VAL A 125 9.013 -1.994 -7.942 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.370 -1.872 -10.309 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.151 -1.129 -9.246 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.263 -0.101 -10.180 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.726 -1.876 -9.684 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.746 -0.103 -9.537 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.259 -1.116 -8.166 1.00 0.18 H new ATOM 1240 N TYR A 126 7.474 -0.999 -5.986 1.00 0.07 N ATOM 1241 CA TYR A 126 6.277 -1.414 -5.279 1.00 0.08 C ATOM 1242 C TYR A 126 5.813 -0.338 -4.303 1.00 0.08 C ATOM 1243 O TYR A 126 4.622 -0.060 -4.190 1.00 0.10 O ATOM 1244 CB TYR A 126 6.627 -2.706 -4.553 1.00 0.11 C ATOM 1245 CG TYR A 126 7.283 -3.722 -5.456 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.928 -3.836 -6.797 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.272 -4.555 -4.970 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.545 -4.760 -7.619 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.884 -5.484 -5.787 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.519 -5.579 -7.102 1.00 0.28 C ATOM 1251 OH TYR A 126 9.116 -6.522 -7.901 1.00 0.36 O ATOM 0 H TYR A 126 8.313 -1.487 -5.672 1.00 0.07 H new ATOM 0 HA TYR A 126 5.451 -1.572 -5.972 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.294 -2.481 -3.721 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.720 -3.136 -4.127 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.160 -3.193 -7.201 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.571 -4.478 -3.935 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.264 -4.837 -8.659 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.649 -6.134 -5.389 1.00 0.27 H new ATOM 0 HH TYR A 126 8.481 -6.821 -8.585 1.00 0.36 H new ATOM 1261 N ILE A 127 6.764 0.249 -3.597 1.00 0.08 N ATOM 1262 CA ILE A 127 6.512 1.376 -2.717 1.00 0.11 C ATOM 1263 C ILE A 127 5.937 2.533 -3.507 1.00 0.12 C ATOM 1264 O ILE A 127 4.878 3.063 -3.173 1.00 0.14 O ATOM 1265 CB ILE A 127 7.822 1.815 -2.040 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.289 0.745 -1.072 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.662 3.140 -1.318 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.738 0.886 -0.701 1.00 0.13 C ATOM 0 H ILE A 127 7.740 -0.046 -3.619 1.00 0.08 H new ATOM 0 HA ILE A 127 5.796 1.073 -1.954 1.00 0.11 H new ATOM 0 HB ILE A 127 8.572 1.951 -2.819 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.682 0.789 -0.168 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.127 -0.237 -1.517 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.608 3.417 -0.852 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.369 3.910 -2.032 1.00 0.12 H new ATOM 0 HG23 ILE A 127 6.894 3.046 -0.551 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.015 0.093 -0.006 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.352 0.813 -1.599 1.00 0.13 H new ATOM 0 HD13 ILE A 127 9.900 1.855 -0.229 1.00 0.13 H new ATOM 1280 N ASN A 128 6.640 2.908 -4.566 1.00 0.12 N ATOM 1281 CA ASN A 128 6.171 3.968 -5.449 1.00 0.15 C ATOM 1282 C ASN A 128 4.852 3.578 -6.111 1.00 0.12 C ATOM 1283 O ASN A 128 4.001 4.433 -6.337 1.00 0.12 O ATOM 1284 CB ASN A 128 7.222 4.331 -6.510 1.00 0.20 C ATOM 1285 CG ASN A 128 8.376 5.149 -5.943 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.326 6.380 -5.909 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.422 4.469 -5.496 1.00 0.42 N ATOM 0 H ASN A 128 7.534 2.496 -4.835 1.00 0.12 H new ATOM 0 HA ASN A 128 6.003 4.853 -4.835 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.615 3.416 -6.954 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.743 4.894 -7.311 1.00 0.20 H new ATOM 0 HD21 ASN A 128 10.224 4.965 -5.106 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.425 3.450 -5.542 1.00 0.42 H new ATOM 1294 N GLU A 129 4.686 2.292 -6.416 1.00 0.11 N ATOM 1295 CA GLU A 129 3.426 1.783 -6.935 1.00 0.10 C ATOM 1296 C GLU A 129 2.298 2.039 -5.968 1.00 0.09 C ATOM 1297 O GLU A 129 1.341 2.723 -6.289 1.00 0.14 O ATOM 1298 CB GLU A 129 3.510 0.289 -7.171 1.00 0.14 C ATOM 1299 CG GLU A 129 2.907 -0.130 -8.483 1.00 0.26 C ATOM 1300 CD GLU A 129 1.496 0.378 -8.717 1.00 1.41 C ATOM 1301 OE1 GLU A 129 1.331 1.568 -9.058 1.00 2.29 O ATOM 1302 OE2 GLU A 129 0.546 -0.426 -8.595 1.00 1.55 O ATOM 0 H GLU A 129 5.413 1.585 -6.311 1.00 0.11 H new ATOM 0 HA GLU A 129 3.233 2.303 -7.873 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.555 -0.020 -7.142 1.00 0.14 H new ATOM 0 HB3 GLU A 129 3.001 -0.231 -6.360 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.546 0.224 -9.292 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.901 -1.219 -8.535 1.00 0.26 H new ATOM 1309 N LEU A 130 2.447 1.497 -4.779 1.00 0.07 N ATOM 1310 CA LEU A 130 1.440 1.606 -3.745 1.00 0.08 C ATOM 1311 C LEU A 130 1.189 3.074 -3.427 1.00 0.09 C ATOM 1312 O LEU A 130 0.052 3.493 -3.257 1.00 0.10 O ATOM 1313 CB LEU A 130 1.885 0.855 -2.499 1.00 0.08 C ATOM 1314 CG LEU A 130 0.748 0.276 -1.666 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.046 -0.840 -2.412 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.280 -0.225 -0.342 1.00 0.08 C ATOM 0 H LEU A 130 3.273 0.966 -4.501 1.00 0.07 H new ATOM 0 HA LEU A 130 0.510 1.160 -4.099 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.548 0.043 -2.798 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.469 1.530 -1.873 1.00 0.08 H new ATOM 0 HG LEU A 130 0.020 1.065 -1.478 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.762 -1.237 -1.797 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.365 -0.452 -3.344 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.759 -1.635 -2.632 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.461 -0.637 0.247 1.00 0.08 H new ATOM 0 HD22 LEU A 130 2.025 -1.000 -0.519 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.738 0.601 0.202 1.00 0.08 H new ATOM 1328 N CYS A 131 2.261 3.850 -3.380 1.00 0.11 N ATOM 1329 CA CYS A 131 2.167 5.292 -3.197 1.00 0.13 C ATOM 1330 C CYS A 131 1.321 5.912 -4.308 1.00 0.13 C ATOM 1331 O CYS A 131 0.428 6.720 -4.049 1.00 0.14 O ATOM 1332 CB CYS A 131 3.574 5.900 -3.196 1.00 0.18 C ATOM 1333 SG CYS A 131 3.627 7.706 -3.251 1.00 1.39 S ATOM 0 H CYS A 131 3.216 3.502 -3.467 1.00 0.11 H new ATOM 0 HA CYS A 131 1.686 5.502 -2.242 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.098 5.563 -2.301 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.123 5.509 -4.053 1.00 0.18 H new ATOM 0 HG CYS A 131 4.456 8.143 -2.350 1.00 1.39 H new ATOM 1339 N THR A 132 1.601 5.507 -5.540 1.00 0.12 N ATOM 1340 CA THR A 132 0.854 5.982 -6.700 1.00 0.14 C ATOM 1341 C THR A 132 -0.588 5.510 -6.606 1.00 0.11 C ATOM 1342 O THR A 132 -1.516 6.280 -6.797 1.00 0.15 O ATOM 1343 CB THR A 132 1.474 5.485 -8.024 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.809 5.990 -8.158 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.644 5.922 -9.224 1.00 0.24 C ATOM 0 H THR A 132 2.345 4.846 -5.764 1.00 0.12 H new ATOM 0 HA THR A 132 0.894 7.071 -6.699 1.00 0.14 H new ATOM 0 HB THR A 132 1.491 4.395 -7.997 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.437 5.372 -7.730 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.108 5.556 -10.140 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.363 5.513 -9.138 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.592 7.010 -9.254 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.744 4.233 -6.306 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.030 3.618 -6.024 1.00 0.07 C ATOM 1355 C VAL A 133 -2.848 4.436 -5.032 1.00 0.07 C ATOM 1356 O VAL A 133 -4.011 4.746 -5.273 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.794 2.210 -5.457 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.003 1.679 -4.714 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.395 1.257 -6.563 1.00 0.10 C ATOM 0 H VAL A 133 0.037 3.579 -6.250 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.595 3.569 -6.955 1.00 0.07 H new ATOM 0 HB VAL A 133 -0.980 2.285 -4.736 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.786 0.681 -4.332 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.239 2.342 -3.882 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.855 1.631 -5.392 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.231 0.263 -6.146 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.189 1.211 -7.308 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.477 1.609 -7.033 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.225 4.791 -3.926 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.899 5.511 -2.860 1.00 0.11 C ATOM 1371 C LEU A 134 -3.174 6.954 -3.272 1.00 0.14 C ATOM 1372 O LEU A 134 -4.124 7.577 -2.806 1.00 0.18 O ATOM 1373 CB LEU A 134 -2.045 5.444 -1.597 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.744 4.020 -1.119 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.673 4.020 -0.045 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.009 3.357 -0.610 1.00 0.16 C ATOM 0 H LEU A 134 -1.242 4.591 -3.740 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.864 5.046 -2.658 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.103 5.961 -1.781 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.554 5.984 -0.798 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.367 3.449 -1.968 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.479 2.996 0.276 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.243 4.454 -0.445 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.012 4.609 0.807 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.780 2.346 -0.274 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.412 3.934 0.222 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.746 3.314 -1.412 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.328 7.473 -4.153 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.494 8.760 -4.740 1.00 0.17 C ATOM 1390 C LYS A 135 -3.626 8.711 -5.758 1.00 0.15 C ATOM 1391 O LYS A 135 -4.390 9.664 -5.917 1.00 0.18 O ATOM 1392 CB LYS A 135 -1.164 9.108 -5.403 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.974 10.569 -5.632 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.812 11.049 -6.791 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.243 10.585 -8.126 1.00 1.32 C ATOM 1396 NZ LYS A 135 0.100 11.168 -8.392 1.00 1.82 N ATOM 0 H LYS A 135 -1.493 6.984 -4.475 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.756 9.517 -4.001 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.350 8.738 -4.780 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.097 8.587 -6.358 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -1.244 11.120 -4.731 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.078 10.776 -5.829 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.831 10.679 -6.681 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.865 12.138 -6.776 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -1.174 9.497 -8.132 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -1.925 10.866 -8.928 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 0.312 11.102 -9.408 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 0.109 12.166 -8.100 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 0.819 10.644 -7.854 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.748 7.562 -6.404 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.671 7.376 -7.497 1.00 0.14 C ATOM 1412 C ALA A 136 -6.060 7.086 -6.961 1.00 0.16 C ATOM 1413 O ALA A 136 -7.069 7.454 -7.557 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.185 6.228 -8.375 1.00 0.17 C ATOM 0 H ALA A 136 -3.202 6.730 -6.178 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.719 8.286 -8.095 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -4.880 6.084 -9.203 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.196 6.464 -8.768 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.131 5.314 -7.783 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.086 6.413 -5.824 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.328 5.985 -5.208 1.00 0.23 C ATOM 1422 C HIS A 137 -7.456 6.602 -3.830 1.00 0.24 C ATOM 1423 O HIS A 137 -7.854 5.948 -2.863 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.372 4.457 -5.131 1.00 0.24 C ATOM 1425 CG HIS A 137 -6.984 3.806 -6.418 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -7.587 4.104 -7.615 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -5.986 2.943 -6.708 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -6.972 3.463 -8.584 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -5.996 2.746 -8.064 1.00 0.34 N ATOM 0 H HIS A 137 -5.249 6.149 -5.304 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.169 6.320 -5.814 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.703 4.117 -4.340 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.378 4.139 -4.856 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -5.306 2.491 -6.001 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.225 3.515 -9.633 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -5.356 2.145 -8.584 1.00 0.34 H new