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 HD1:sc= 0 K(o=0,f=0.79) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 106 CYS SG : rot 110:sc= 0.443 USER MOD Set 2.2: A 110 SER OG : rot 85:sc= 0.635 USER MOD Single : A 60 LYS NZ :NH3+ -127:sc= 0.642 (180deg=-3.29!) USER MOD Single : A 63 ASN : amide:sc= -0.0989 K(o=-0.099,f=-9.4!) USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= 1.23 (180deg=0.959) USER MOD Single : A 74 CYS SG : rot 67:sc= -1.73 USER MOD Single : A 75 LYS NZ :NH3+ 152:sc= 1.24 (180deg=1.21) USER MOD Single : A 76 MET CE :methyl 167:sc= -3.24! (180deg=-3.73!) USER MOD Single : A 77 GLN : amide:sc= -3.26! C(o=-3.3!,f=-2.9!) USER MOD Single : A 78 THR OG1 : rot -38:sc= 1.16 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -2.16! C(o=-2.2!,f=-12!) USER MOD Single : A 92 GLN : amide:sc= -0.244 K(o=-0.24,f=-6.2!) USER MOD Single : A 93 GLN : amide:sc= -0.519 X(o=-0.52,f=-0.48) USER MOD Single : A 96 HIS : no HD1:sc= -5.46! C(o=-5.5!,f=-9.3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 88:sc= 1.23 USER MOD Single : A 107 ASN : amide:sc= 0.658 K(o=0.66,f=-3.8!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -150:sc= -0.0022 (180deg=-0.176) USER MOD Single : A 126 TYR OH : rot 180:sc= -0.146 USER MOD Single : A 128 ASN : amide:sc= 0.927 K(o=0.93,f=-0.78) USER MOD Single : A 131 CYS SG : rot -158:sc= -0.485 USER MOD Single : A 132 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 60 -10.633 -4.443 4.656 1.00 0.29 N ATOM 139 CA LYS A 60 -10.059 -3.370 5.476 1.00 0.29 C ATOM 140 C LYS A 60 -8.955 -3.891 6.400 1.00 0.25 C ATOM 141 O LYS A 60 -7.819 -3.435 6.329 1.00 0.26 O ATOM 142 CB LYS A 60 -11.189 -2.703 6.294 1.00 0.37 C ATOM 143 CG LYS A 60 -10.767 -1.509 7.152 1.00 0.57 C ATOM 144 CD LYS A 60 -10.021 -1.933 8.401 1.00 0.43 C ATOM 145 CE LYS A 60 -9.746 -0.755 9.310 1.00 0.76 C ATOM 146 NZ LYS A 60 -9.013 0.334 8.609 1.00 1.62 N ATOM 0 HA LYS A 60 -9.598 -2.634 4.817 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.967 -2.375 5.605 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.635 -3.455 6.944 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -10.135 -0.846 6.562 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.651 -0.938 7.436 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.605 -2.680 8.939 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.079 -2.405 8.121 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -10.689 -0.367 9.695 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -9.164 -1.089 10.169 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -8.163 0.586 9.152 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.734 0.010 7.661 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.629 1.168 8.523 1.00 1.62 H new ATOM 160 N LEU A 61 -9.285 -4.863 7.237 1.00 0.25 N ATOM 161 CA LEU A 61 -8.311 -5.423 8.155 1.00 0.25 C ATOM 162 C LEU A 61 -7.114 -5.987 7.419 1.00 0.26 C ATOM 163 O LEU A 61 -5.968 -5.694 7.758 1.00 0.30 O ATOM 164 CB LEU A 61 -8.939 -6.508 9.004 1.00 0.30 C ATOM 165 CG LEU A 61 -9.011 -6.180 10.488 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.306 -7.436 11.286 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.718 -5.511 10.956 1.00 0.63 C ATOM 0 H LEU A 61 -10.215 -5.277 7.298 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.970 -4.612 8.799 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.947 -6.702 8.638 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.370 -7.429 8.875 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.825 -5.474 10.655 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.355 -7.190 12.347 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.260 -7.855 10.966 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.515 -8.167 11.120 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.790 -5.285 12.020 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.878 -6.183 10.784 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.564 -4.587 10.398 1.00 0.63 H new ATOM 179 N GLU A 62 -7.395 -6.797 6.420 1.00 0.25 N ATOM 180 CA GLU A 62 -6.376 -7.414 5.635 1.00 0.29 C ATOM 181 C GLU A 62 -5.460 -6.379 5.002 1.00 0.23 C ATOM 182 O GLU A 62 -4.245 -6.522 5.043 1.00 0.20 O ATOM 183 CB GLU A 62 -7.021 -8.264 4.564 1.00 0.39 C ATOM 184 CG GLU A 62 -6.149 -9.421 4.196 1.00 0.63 C ATOM 185 CD GLU A 62 -6.821 -10.426 3.292 1.00 1.48 C ATOM 186 OE1 GLU A 62 -7.483 -11.346 3.814 1.00 1.98 O ATOM 187 OE2 GLU A 62 -6.671 -10.321 2.058 1.00 2.20 O ATOM 0 H GLU A 62 -8.345 -7.040 6.138 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.765 -8.039 6.287 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -7.985 -8.630 4.917 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -7.215 -7.656 3.681 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -5.252 -9.046 3.703 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -5.826 -9.925 5.107 1.00 0.63 H new ATOM 194 N ASN A 63 -6.042 -5.334 4.433 1.00 0.22 N ATOM 195 CA ASN A 63 -5.279 -4.328 3.712 1.00 0.19 C ATOM 196 C ASN A 63 -4.453 -3.475 4.653 1.00 0.15 C ATOM 197 O ASN A 63 -3.284 -3.204 4.377 1.00 0.16 O ATOM 198 CB ASN A 63 -6.205 -3.449 2.884 1.00 0.21 C ATOM 199 CG ASN A 63 -6.771 -4.180 1.689 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.178 -5.130 1.193 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.918 -3.730 1.213 1.00 0.27 N ATOM 0 H ASN A 63 -7.047 -5.161 4.458 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.594 -4.851 3.045 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -7.023 -3.094 3.511 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.659 -2.569 2.544 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.344 -4.177 0.401 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.378 -2.935 1.657 1.00 0.27 H new ATOM 208 N GLU A 64 -5.057 -3.051 5.753 1.00 0.15 N ATOM 209 CA GLU A 64 -4.342 -2.425 6.822 1.00 0.16 C ATOM 210 C GLU A 64 -3.129 -3.253 7.197 1.00 0.14 C ATOM 211 O GLU A 64 -1.999 -2.768 7.193 1.00 0.17 O ATOM 212 CB GLU A 64 -5.286 -2.330 7.982 1.00 0.21 C ATOM 213 CG GLU A 64 -6.093 -1.062 7.974 1.00 0.30 C ATOM 214 CD GLU A 64 -6.558 -0.568 6.617 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.734 -0.011 5.871 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.770 -0.653 6.341 1.00 1.75 O ATOM 0 H GLU A 64 -6.060 -3.138 5.917 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.988 -1.437 6.528 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.962 -3.185 7.966 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.719 -2.389 8.911 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.971 -1.212 8.603 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.498 -0.275 8.439 1.00 0.30 H new ATOM 223 N LYS A 65 -3.388 -4.524 7.459 1.00 0.13 N ATOM 224 CA LYS A 65 -2.396 -5.460 7.867 1.00 0.14 C ATOM 225 C LYS A 65 -1.318 -5.645 6.801 1.00 0.12 C ATOM 226 O LYS A 65 -0.133 -5.523 7.090 1.00 0.14 O ATOM 227 CB LYS A 65 -3.087 -6.760 8.157 1.00 0.20 C ATOM 228 CG LYS A 65 -2.128 -7.883 8.253 1.00 0.44 C ATOM 229 CD LYS A 65 -2.569 -8.883 9.285 1.00 0.86 C ATOM 230 CE LYS A 65 -1.554 -9.998 9.462 1.00 1.32 C ATOM 231 NZ LYS A 65 -0.329 -9.535 10.163 1.00 1.93 N ATOM 0 H LYS A 65 -4.322 -4.927 7.387 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.888 -5.089 8.757 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.643 -6.676 9.091 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.813 -6.969 7.372 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -2.038 -8.372 7.283 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -1.140 -7.501 8.511 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -2.723 -8.377 10.238 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -3.529 -9.309 8.991 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -2.007 -10.813 10.026 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -1.282 -10.398 8.485 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 0.209 -10.358 10.502 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 0.259 -8.983 9.506 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -0.596 -8.939 10.972 1.00 1.93 H new ATOM 245 N LEU A 66 -1.742 -5.944 5.571 1.00 0.11 N ATOM 246 CA LEU A 66 -0.816 -6.135 4.454 1.00 0.10 C ATOM 247 C LEU A 66 0.061 -4.917 4.277 1.00 0.08 C ATOM 248 O LEU A 66 1.257 -5.032 4.021 1.00 0.08 O ATOM 249 CB LEU A 66 -1.572 -6.399 3.151 1.00 0.10 C ATOM 250 CG LEU A 66 -2.316 -7.725 3.082 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.186 -7.773 1.841 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.331 -8.879 3.088 1.00 0.17 C ATOM 0 H LEU A 66 -2.725 -6.059 5.323 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.196 -7.001 4.687 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.288 -5.592 2.997 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.862 -6.357 2.325 1.00 0.10 H new ATOM 0 HG LEU A 66 -2.959 -7.815 3.958 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.713 -8.726 1.803 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -3.910 -6.959 1.873 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.561 -7.668 0.954 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -1.875 -9.822 3.038 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.669 -8.796 2.226 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.741 -8.849 4.004 1.00 0.17 H new ATOM 264 N PHE A 67 -0.545 -3.747 4.406 1.00 0.07 N ATOM 265 CA PHE A 67 0.187 -2.506 4.355 1.00 0.06 C ATOM 266 C PHE A 67 1.279 -2.490 5.415 1.00 0.06 C ATOM 267 O PHE A 67 2.418 -2.152 5.126 1.00 0.07 O ATOM 268 CB PHE A 67 -0.746 -1.315 4.556 1.00 0.08 C ATOM 269 CG PHE A 67 -0.009 -0.020 4.531 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.816 0.272 3.468 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.121 0.886 5.570 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.530 1.453 3.436 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.583 2.070 5.541 1.00 0.12 C ATOM 274 CZ PHE A 67 1.410 2.350 4.473 1.00 0.09 C ATOM 0 H PHE A 67 -1.549 -3.638 4.547 1.00 0.07 H new ATOM 0 HA PHE A 67 0.645 -2.426 3.369 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.507 -1.314 3.776 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.266 -1.418 5.508 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.905 -0.429 2.652 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.764 0.664 6.409 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.180 1.672 2.601 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.488 2.777 6.352 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.965 3.276 4.450 1.00 0.09 H new ATOM 284 N GLU A 68 0.920 -2.863 6.633 1.00 0.08 N ATOM 285 CA GLU A 68 1.883 -2.940 7.728 1.00 0.09 C ATOM 286 C GLU A 68 2.948 -3.974 7.423 1.00 0.10 C ATOM 287 O GLU A 68 4.123 -3.744 7.668 1.00 0.12 O ATOM 288 CB GLU A 68 1.193 -3.309 9.043 1.00 0.14 C ATOM 289 CG GLU A 68 -0.068 -2.522 9.293 1.00 0.21 C ATOM 290 CD GLU A 68 -0.682 -2.792 10.650 1.00 0.87 C ATOM 291 OE1 GLU A 68 -1.373 -3.821 10.801 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.468 -1.983 11.574 1.00 1.19 O ATOM 0 H GLU A 68 -0.033 -3.118 6.892 1.00 0.08 H new ATOM 0 HA GLU A 68 2.343 -1.957 7.832 1.00 0.09 H new ATOM 0 HB2 GLU A 68 0.954 -4.372 9.035 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.886 -3.144 9.868 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.153 -1.458 9.207 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.797 -2.760 8.518 1.00 0.21 H new ATOM 299 N GLU A 69 2.535 -5.102 6.866 1.00 0.10 N ATOM 300 CA GLU A 69 3.465 -6.172 6.523 1.00 0.12 C ATOM 301 C GLU A 69 4.477 -5.675 5.512 1.00 0.11 C ATOM 302 O GLU A 69 5.664 -6.001 5.573 1.00 0.14 O ATOM 303 CB GLU A 69 2.713 -7.349 5.920 1.00 0.15 C ATOM 304 CG GLU A 69 1.676 -7.953 6.838 1.00 0.25 C ATOM 305 CD GLU A 69 2.277 -8.502 8.112 1.00 0.81 C ATOM 306 OE1 GLU A 69 3.277 -9.249 8.031 1.00 1.34 O ATOM 307 OE2 GLU A 69 1.748 -8.201 9.201 1.00 1.21 O ATOM 0 H GLU A 69 1.561 -5.302 6.641 1.00 0.10 H new ATOM 0 HA GLU A 69 3.974 -6.488 7.433 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.224 -7.022 5.002 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.430 -8.121 5.642 1.00 0.15 H new ATOM 0 HG2 GLU A 69 0.932 -7.196 7.088 1.00 0.25 H new ATOM 0 HG3 GLU A 69 1.153 -8.753 6.313 1.00 0.25 H new ATOM 314 N PHE A 70 3.984 -4.871 4.591 1.00 0.09 N ATOM 315 CA PHE A 70 4.789 -4.311 3.544 1.00 0.09 C ATOM 316 C PHE A 70 5.633 -3.181 4.116 1.00 0.08 C ATOM 317 O PHE A 70 6.794 -3.018 3.766 1.00 0.10 O ATOM 318 CB PHE A 70 3.875 -3.809 2.432 1.00 0.09 C ATOM 319 CG PHE A 70 4.581 -3.125 1.311 1.00 0.09 C ATOM 320 CD1 PHE A 70 4.802 -1.772 1.377 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.004 -3.825 0.193 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.435 -1.112 0.353 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.647 -3.171 -0.841 1.00 0.13 C ATOM 324 CZ PHE A 70 5.861 -1.809 -0.760 1.00 0.13 C ATOM 0 H PHE A 70 3.004 -4.591 4.555 1.00 0.09 H new ATOM 0 HA PHE A 70 5.459 -5.064 3.128 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.315 -4.654 2.030 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.148 -3.120 2.861 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.474 -1.220 2.245 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.830 -4.889 0.129 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.600 -0.047 0.418 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.980 -3.722 -1.708 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.360 -1.291 -1.565 1.00 0.13 H new ATOM 334 N LEU A 71 5.017 -2.399 4.994 1.00 0.07 N ATOM 335 CA LEU A 71 5.693 -1.342 5.711 1.00 0.08 C ATOM 336 C LEU A 71 6.870 -1.867 6.528 1.00 0.08 C ATOM 337 O LEU A 71 7.986 -1.373 6.403 1.00 0.09 O ATOM 338 CB LEU A 71 4.700 -0.606 6.602 1.00 0.09 C ATOM 339 CG LEU A 71 4.164 0.682 5.995 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.642 1.618 7.053 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.245 1.359 5.205 1.00 0.10 C ATOM 0 H LEU A 71 4.027 -2.487 5.225 1.00 0.07 H new ATOM 0 HA LEU A 71 6.102 -0.646 4.978 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.863 -1.269 6.821 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.181 -0.375 7.552 1.00 0.09 H new ATOM 0 HG LEU A 71 3.334 0.423 5.338 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.268 2.527 6.582 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.834 1.134 7.601 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.447 1.872 7.743 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.856 2.281 4.772 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.084 1.592 5.861 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.581 0.697 4.407 1.00 0.10 H new ATOM 353 N GLU A 72 6.604 -2.852 7.376 1.00 0.08 N ATOM 354 CA GLU A 72 7.660 -3.546 8.125 1.00 0.11 C ATOM 355 C GLU A 72 8.740 -4.034 7.180 1.00 0.09 C ATOM 356 O GLU A 72 9.930 -3.830 7.413 1.00 0.12 O ATOM 357 CB GLU A 72 7.093 -4.744 8.878 1.00 0.19 C ATOM 358 CG GLU A 72 5.993 -4.372 9.834 1.00 0.26 C ATOM 359 CD GLU A 72 6.482 -3.559 11.016 1.00 0.59 C ATOM 360 OE1 GLU A 72 7.154 -4.128 11.901 1.00 0.89 O ATOM 361 OE2 GLU A 72 6.205 -2.340 11.058 1.00 1.13 O ATOM 0 H GLU A 72 5.663 -3.195 7.567 1.00 0.08 H new ATOM 0 HA GLU A 72 8.082 -2.838 8.838 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.712 -5.470 8.160 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.896 -5.232 9.430 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.232 -3.803 9.299 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.514 -5.281 10.199 1.00 0.26 H new ATOM 368 N LEU A 73 8.296 -4.700 6.125 1.00 0.10 N ATOM 369 CA LEU A 73 9.176 -5.141 5.046 1.00 0.11 C ATOM 370 C LEU A 73 10.048 -3.983 4.602 1.00 0.10 C ATOM 371 O LEU A 73 11.271 -4.103 4.547 1.00 0.12 O ATOM 372 CB LEU A 73 8.335 -5.636 3.855 1.00 0.14 C ATOM 373 CG LEU A 73 9.017 -6.590 2.853 1.00 0.20 C ATOM 374 CD1 LEU A 73 8.250 -6.636 1.566 1.00 0.49 C ATOM 375 CD2 LEU A 73 10.410 -6.174 2.510 1.00 0.46 C ATOM 0 H LEU A 73 7.317 -4.951 5.990 1.00 0.10 H new ATOM 0 HA LEU A 73 9.804 -5.956 5.405 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.453 -6.138 4.251 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.984 -4.763 3.304 1.00 0.14 H new ATOM 0 HG LEU A 73 9.041 -7.562 3.345 1.00 0.20 H new ATOM 0 HD11 LEU A 73 8.746 -7.314 0.871 1.00 0.49 H new ATOM 0 HD12 LEU A 73 7.237 -6.990 1.758 1.00 0.49 H new ATOM 0 HD13 LEU A 73 8.209 -5.637 1.131 1.00 0.49 H new ATOM 0 HD21 LEU A 73 10.838 -6.884 1.802 1.00 0.46 H new ATOM 0 HD22 LEU A 73 10.393 -5.180 2.063 1.00 0.46 H new ATOM 0 HD23 LEU A 73 11.017 -6.154 3.415 1.00 0.46 H new ATOM 387 N CYS A 74 9.416 -2.867 4.292 1.00 0.09 N ATOM 388 CA CYS A 74 10.146 -1.701 3.846 1.00 0.10 C ATOM 389 C CYS A 74 11.178 -1.299 4.891 1.00 0.11 C ATOM 390 O CYS A 74 12.346 -1.137 4.570 1.00 0.14 O ATOM 391 CB CYS A 74 9.204 -0.539 3.542 1.00 0.10 C ATOM 392 SG CYS A 74 8.072 -0.883 2.188 1.00 0.11 S ATOM 0 H CYS A 74 8.404 -2.745 4.341 1.00 0.09 H new ATOM 0 HA CYS A 74 10.663 -1.956 2.921 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.629 -0.302 4.437 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.794 0.345 3.299 1.00 0.10 H new ATOM 0 HG CYS A 74 7.248 -1.824 2.540 1.00 0.11 H new ATOM 398 N LYS A 75 10.761 -1.229 6.158 1.00 0.11 N ATOM 399 CA LYS A 75 11.656 -0.854 7.252 1.00 0.12 C ATOM 400 C LYS A 75 12.855 -1.798 7.333 1.00 0.13 C ATOM 401 O LYS A 75 13.864 -1.486 7.964 1.00 0.16 O ATOM 402 CB LYS A 75 10.904 -0.901 8.581 1.00 0.13 C ATOM 403 CG LYS A 75 9.657 -0.055 8.622 1.00 0.18 C ATOM 404 CD LYS A 75 8.908 -0.283 9.914 1.00 0.20 C ATOM 405 CE LYS A 75 7.577 0.436 9.922 1.00 0.30 C ATOM 406 NZ LYS A 75 6.858 0.237 11.206 1.00 0.32 N ATOM 0 H LYS A 75 9.804 -1.428 6.451 1.00 0.11 H new ATOM 0 HA LYS A 75 12.013 0.157 7.057 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.634 -1.935 8.795 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.575 -0.576 9.376 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.921 0.998 8.529 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.016 -0.299 7.775 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.746 -1.351 10.057 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.514 0.062 10.752 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.737 1.501 9.755 1.00 0.30 H new ATOM 0 HE3 LYS A 75 6.961 0.073 9.099 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 6.240 1.054 11.388 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.282 -0.627 11.151 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.547 0.145 11.979 1.00 0.32 H new ATOM 420 N MET A 76 12.728 -2.959 6.709 1.00 0.12 N ATOM 421 CA MET A 76 13.782 -3.954 6.712 1.00 0.13 C ATOM 422 C MET A 76 14.771 -3.727 5.570 1.00 0.14 C ATOM 423 O MET A 76 15.967 -3.940 5.734 1.00 0.16 O ATOM 424 CB MET A 76 13.176 -5.355 6.613 1.00 0.14 C ATOM 425 CG MET A 76 12.353 -5.735 7.827 1.00 0.15 C ATOM 426 SD MET A 76 12.010 -7.502 7.914 1.00 0.21 S ATOM 427 CE MET A 76 10.951 -7.709 6.490 1.00 0.40 C ATOM 0 H MET A 76 11.895 -3.234 6.189 1.00 0.12 H new ATOM 0 HA MET A 76 14.330 -3.861 7.650 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.548 -5.410 5.724 1.00 0.14 H new ATOM 0 HB3 MET A 76 13.977 -6.082 6.483 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.882 -5.427 8.729 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.411 -5.187 7.807 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.840 -8.771 6.270 1.00 0.40 H new ATOM 0 HE2 MET A 76 9.972 -7.277 6.699 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.394 -7.205 5.631 1.00 0.40 H new ATOM 437 N GLN A 77 14.274 -3.304 4.412 1.00 0.14 N ATOM 438 CA GLN A 77 15.119 -3.155 3.239 1.00 0.15 C ATOM 439 C GLN A 77 15.449 -1.690 2.925 1.00 0.16 C ATOM 440 O GLN A 77 16.418 -1.407 2.218 1.00 0.22 O ATOM 441 CB GLN A 77 14.426 -3.760 2.027 1.00 0.19 C ATOM 442 CG GLN A 77 13.366 -4.776 2.341 1.00 0.21 C ATOM 443 CD GLN A 77 13.866 -6.198 2.241 1.00 0.38 C ATOM 444 OE1 GLN A 77 14.790 -6.514 1.493 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.239 -7.053 3.005 1.00 0.25 N ATOM 0 H GLN A 77 13.295 -3.060 4.264 1.00 0.14 H new ATOM 0 HA GLN A 77 16.053 -3.672 3.460 1.00 0.15 H new ATOM 0 HB2 GLN A 77 13.975 -2.955 1.446 1.00 0.19 H new ATOM 0 HB3 GLN A 77 15.179 -4.228 1.393 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.988 -4.599 3.348 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.528 -4.642 1.657 1.00 0.21 H new ATOM 0 HE21 GLN A 77 12.479 -6.737 3.607 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.510 -8.036 2.999 1.00 0.25 H new ATOM 454 N THR A 78 14.665 -0.756 3.449 1.00 0.17 N ATOM 455 CA THR A 78 14.787 0.640 3.047 1.00 0.22 C ATOM 456 C THR A 78 15.502 1.454 4.111 1.00 0.30 C ATOM 457 O THR A 78 15.045 2.529 4.485 1.00 0.32 O ATOM 458 CB THR A 78 13.417 1.307 2.759 1.00 0.17 C ATOM 459 OG1 THR A 78 12.642 1.409 3.960 1.00 0.14 O ATOM 460 CG2 THR A 78 12.627 0.533 1.716 1.00 0.22 C ATOM 0 H THR A 78 13.944 -0.937 4.147 1.00 0.17 H new ATOM 0 HA THR A 78 15.366 0.630 2.124 1.00 0.22 H new ATOM 0 HB THR A 78 13.621 2.305 2.371 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.770 0.602 4.501 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.673 1.030 1.540 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.193 0.494 0.785 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.448 -0.481 2.074 1.00 0.22 H new ATOM 468 N ALA A 79 16.604 0.934 4.620 1.00 0.38 N ATOM 469 CA ALA A 79 17.418 1.663 5.580 1.00 0.50 C ATOM 470 C ALA A 79 17.870 3.013 5.045 1.00 0.52 C ATOM 471 O ALA A 79 17.976 3.982 5.795 1.00 0.55 O ATOM 472 CB ALA A 79 18.619 0.833 5.949 1.00 0.67 C ATOM 0 H ALA A 79 16.958 0.007 4.385 1.00 0.38 H new ATOM 0 HA ALA A 79 16.804 1.852 6.460 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.230 1.378 6.668 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.290 -0.107 6.391 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.208 0.627 5.055 1.00 0.67 H new ATOM 478 N ASP A 80 18.137 3.078 3.749 1.00 0.53 N ATOM 479 CA ASP A 80 18.580 4.321 3.134 1.00 0.57 C ATOM 480 C ASP A 80 17.392 5.233 2.889 1.00 0.52 C ATOM 481 O ASP A 80 17.534 6.444 2.725 1.00 0.57 O ATOM 482 CB ASP A 80 19.304 4.039 1.817 1.00 0.65 C ATOM 483 CG ASP A 80 19.840 5.297 1.157 1.00 1.21 C ATOM 484 OD1 ASP A 80 20.942 5.750 1.533 1.00 1.94 O ATOM 485 OD2 ASP A 80 19.160 5.842 0.262 1.00 1.46 O ATOM 0 H ASP A 80 18.055 2.290 3.106 1.00 0.53 H new ATOM 0 HA ASP A 80 19.274 4.816 3.813 1.00 0.57 H new ATOM 0 HB2 ASP A 80 20.130 3.352 2.002 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.620 3.538 1.132 1.00 0.65 H new ATOM 490 N HIS A 81 16.211 4.642 2.895 1.00 0.43 N ATOM 491 CA HIS A 81 14.981 5.403 2.700 1.00 0.38 C ATOM 492 C HIS A 81 13.999 5.172 3.840 1.00 0.29 C ATOM 493 O HIS A 81 12.904 4.661 3.621 1.00 0.23 O ATOM 494 CB HIS A 81 14.316 5.048 1.365 1.00 0.41 C ATOM 495 CG HIS A 81 15.034 5.587 0.166 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.643 6.733 -0.495 1.00 0.99 N ATOM 497 CD2 HIS A 81 16.117 5.124 -0.499 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.455 6.947 -1.515 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.359 5.986 -1.537 1.00 0.86 N ATOM 0 H HIS A 81 16.073 3.641 3.032 1.00 0.43 H new ATOM 0 HA HIS A 81 15.256 6.458 2.686 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.251 3.963 1.280 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.295 5.429 1.366 1.00 0.41 H new ATOM 0 HD2 HIS A 81 16.686 4.239 -0.257 1.00 0.70 H new ATOM 0 HE1 HIS A 81 15.390 7.769 -2.212 1.00 1.08 H new ATOM 0 HE2 HIS A 81 17.115 5.899 -2.216 1.00 0.86 H new ATOM 508 N PRO A 82 14.364 5.549 5.077 1.00 0.32 N ATOM 509 CA PRO A 82 13.474 5.434 6.235 1.00 0.29 C ATOM 510 C PRO A 82 12.233 6.310 6.099 1.00 0.26 C ATOM 511 O PRO A 82 11.227 6.086 6.763 1.00 0.29 O ATOM 512 CB PRO A 82 14.350 5.916 7.390 1.00 0.38 C ATOM 513 CG PRO A 82 15.351 6.797 6.747 1.00 0.44 C ATOM 514 CD PRO A 82 15.673 6.092 5.475 1.00 0.41 C ATOM 0 HA PRO A 82 13.090 4.422 6.364 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.765 6.456 8.135 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.826 5.081 7.903 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.949 7.793 6.562 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.236 6.921 7.372 1.00 0.44 H new ATOM 0 HD2 PRO A 82 16.077 6.772 4.724 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.412 5.305 5.622 1.00 0.41 H new ATOM 522 N GLU A 83 12.323 7.306 5.223 1.00 0.23 N ATOM 523 CA GLU A 83 11.213 8.214 4.944 1.00 0.21 C ATOM 524 C GLU A 83 10.132 7.527 4.116 1.00 0.17 C ATOM 525 O GLU A 83 9.008 8.018 4.008 1.00 0.18 O ATOM 526 CB GLU A 83 11.727 9.420 4.178 1.00 0.28 C ATOM 527 CG GLU A 83 12.380 9.016 2.885 1.00 0.46 C ATOM 528 CD GLU A 83 13.068 10.163 2.182 1.00 0.55 C ATOM 529 OE1 GLU A 83 12.380 10.933 1.486 1.00 1.01 O ATOM 530 OE2 GLU A 83 14.297 10.303 2.329 1.00 0.95 O ATOM 0 H GLU A 83 13.167 7.507 4.686 1.00 0.23 H new ATOM 0 HA GLU A 83 10.780 8.523 5.896 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.901 10.100 3.972 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.443 9.965 4.793 1.00 0.28 H new ATOM 0 HG2 GLU A 83 13.109 8.230 3.084 1.00 0.46 H new ATOM 0 HG3 GLU A 83 11.626 8.591 2.222 1.00 0.46 H new ATOM 537 N VAL A 84 10.500 6.405 3.524 1.00 0.15 N ATOM 538 CA VAL A 84 9.624 5.661 2.645 1.00 0.14 C ATOM 539 C VAL A 84 8.404 5.155 3.387 1.00 0.11 C ATOM 540 O VAL A 84 7.299 5.188 2.864 1.00 0.11 O ATOM 541 CB VAL A 84 10.403 4.507 1.987 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.559 3.268 1.845 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.946 4.949 0.640 1.00 0.21 C ATOM 0 H VAL A 84 11.422 5.984 3.642 1.00 0.15 H new ATOM 0 HA VAL A 84 9.266 6.327 1.860 1.00 0.14 H new ATOM 0 HB VAL A 84 11.237 4.251 2.640 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.147 2.479 1.376 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.228 2.938 2.830 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.690 3.489 1.226 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.496 4.127 0.182 1.00 0.21 H new ATOM 0 HG22 VAL A 84 10.119 5.239 -0.008 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.614 5.799 0.778 1.00 0.21 H new ATOM 553 N VAL A 85 8.609 4.712 4.608 1.00 0.09 N ATOM 554 CA VAL A 85 7.521 4.242 5.428 1.00 0.09 C ATOM 555 C VAL A 85 6.527 5.358 5.747 1.00 0.10 C ATOM 556 O VAL A 85 5.343 5.198 5.514 1.00 0.10 O ATOM 557 CB VAL A 85 8.048 3.587 6.704 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.930 3.378 7.698 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.738 2.286 6.344 1.00 0.11 C ATOM 0 H VAL A 85 9.525 4.669 5.054 1.00 0.09 H new ATOM 0 HA VAL A 85 6.981 3.487 4.857 1.00 0.09 H new ATOM 0 HB VAL A 85 8.775 4.243 7.183 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.327 2.911 8.599 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.486 4.340 7.954 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.169 2.732 7.259 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.117 1.812 7.250 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.026 1.620 5.856 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.567 2.489 5.667 1.00 0.11 H new ATOM 569 N PRO A 86 6.984 6.491 6.302 1.00 0.12 N ATOM 570 CA PRO A 86 6.148 7.681 6.456 1.00 0.14 C ATOM 571 C PRO A 86 5.435 8.062 5.153 1.00 0.14 C ATOM 572 O PRO A 86 4.249 8.357 5.161 1.00 0.18 O ATOM 573 CB PRO A 86 7.117 8.787 6.872 1.00 0.18 C ATOM 574 CG PRO A 86 8.422 8.129 7.178 1.00 0.18 C ATOM 575 CD PRO A 86 8.310 6.661 6.880 1.00 0.14 C ATOM 0 HA PRO A 86 5.356 7.512 7.186 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.232 9.520 6.073 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.741 9.322 7.744 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.218 8.575 6.581 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.685 8.282 8.225 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.087 6.339 6.186 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.425 6.065 7.785 1.00 0.14 H new ATOM 583 N PHE A 87 6.169 8.033 4.037 1.00 0.13 N ATOM 584 CA PHE A 87 5.615 8.301 2.708 1.00 0.14 C ATOM 585 C PHE A 87 4.532 7.286 2.369 1.00 0.12 C ATOM 586 O PHE A 87 3.488 7.621 1.805 1.00 0.12 O ATOM 587 CB PHE A 87 6.745 8.212 1.672 1.00 0.18 C ATOM 588 CG PHE A 87 6.327 8.459 0.250 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.184 9.174 -0.031 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.091 7.982 -0.803 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.800 9.414 -1.336 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.715 8.214 -2.111 1.00 1.01 C ATOM 593 CZ PHE A 87 5.566 8.934 -2.379 1.00 0.69 C ATOM 0 H PHE A 87 7.167 7.822 4.030 1.00 0.13 H new ATOM 0 HA PHE A 87 5.173 9.297 2.697 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.518 8.933 1.938 1.00 0.18 H new ATOM 0 HB3 PHE A 87 7.197 7.222 1.735 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.580 9.552 0.780 1.00 0.35 H new ATOM 0 HD2 PHE A 87 7.991 7.422 -0.598 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.901 9.977 -1.540 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.317 7.834 -2.923 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.269 9.120 -3.400 1.00 0.69 H new ATOM 603 N LEU A 88 4.773 6.065 2.786 1.00 0.10 N ATOM 604 CA LEU A 88 3.896 4.962 2.493 1.00 0.09 C ATOM 605 C LEU A 88 2.669 5.100 3.345 1.00 0.08 C ATOM 606 O LEU A 88 1.531 5.049 2.874 1.00 0.09 O ATOM 607 CB LEU A 88 4.598 3.663 2.855 1.00 0.09 C ATOM 608 CG LEU A 88 5.139 2.864 1.690 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.993 1.731 2.199 1.00 0.11 C ATOM 610 CD2 LEU A 88 4.002 2.327 0.853 1.00 0.10 C ATOM 0 H LEU A 88 5.589 5.810 3.342 1.00 0.10 H new ATOM 0 HA LEU A 88 3.631 4.958 1.436 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.423 3.893 3.529 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.899 3.036 3.409 1.00 0.09 H new ATOM 0 HG LEU A 88 5.751 3.516 1.067 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.380 1.159 1.355 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.825 2.134 2.776 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.393 1.080 2.834 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.404 1.754 0.018 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.372 1.682 1.466 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.408 3.157 0.471 1.00 0.10 H new ATOM 622 N TYR A 89 2.949 5.305 4.620 1.00 0.08 N ATOM 623 CA TYR A 89 1.951 5.426 5.636 1.00 0.09 C ATOM 624 C TYR A 89 1.014 6.555 5.291 1.00 0.09 C ATOM 625 O TYR A 89 -0.193 6.396 5.268 1.00 0.11 O ATOM 626 CB TYR A 89 2.647 5.739 6.956 1.00 0.10 C ATOM 627 CG TYR A 89 2.322 4.775 8.041 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.031 4.352 8.206 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.296 4.295 8.895 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.692 3.466 9.190 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.981 3.403 9.890 1.00 0.20 C ATOM 632 CZ TYR A 89 1.670 2.988 10.042 1.00 0.22 C ATOM 633 OH TYR A 89 1.345 2.093 11.037 1.00 0.27 O ATOM 0 H TYR A 89 3.902 5.392 4.973 1.00 0.08 H new ATOM 0 HA TYR A 89 1.383 4.499 5.715 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.725 5.745 6.797 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.367 6.742 7.276 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.264 4.726 7.545 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.318 4.625 8.779 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.332 3.142 9.301 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.750 3.028 10.549 1.00 0.20 H new ATOM 0 HH TYR A 89 2.151 1.859 11.543 1.00 0.27 H new ATOM 643 N ASN A 90 1.625 7.683 4.993 1.00 0.09 N ATOM 644 CA ASN A 90 0.951 8.882 4.553 1.00 0.09 C ATOM 645 C ASN A 90 -0.007 8.600 3.421 1.00 0.09 C ATOM 646 O ASN A 90 -1.201 8.850 3.546 1.00 0.10 O ATOM 647 CB ASN A 90 2.018 9.839 4.087 1.00 0.11 C ATOM 648 CG ASN A 90 1.485 11.000 3.318 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.483 11.612 3.678 1.00 0.43 O ATOM 650 ND2 ASN A 90 2.137 11.255 2.211 1.00 0.40 N ATOM 0 H ASN A 90 2.637 7.792 5.053 1.00 0.09 H new ATOM 0 HA ASN A 90 0.364 9.297 5.373 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.566 10.209 4.954 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.732 9.299 3.465 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.818 12.000 1.591 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.964 10.709 1.969 1.00 0.40 H new ATOM 657 N ARG A 91 0.523 8.075 2.321 1.00 0.08 N ATOM 658 CA ARG A 91 -0.282 7.775 1.145 1.00 0.10 C ATOM 659 C ARG A 91 -1.485 6.927 1.518 1.00 0.09 C ATOM 660 O ARG A 91 -2.597 7.172 1.058 1.00 0.11 O ATOM 661 CB ARG A 91 0.561 7.044 0.096 1.00 0.13 C ATOM 662 CG ARG A 91 1.458 7.951 -0.723 1.00 0.16 C ATOM 663 CD ARG A 91 0.642 8.886 -1.596 1.00 0.29 C ATOM 664 NE ARG A 91 1.489 9.759 -2.409 1.00 0.88 N ATOM 665 CZ ARG A 91 1.528 11.086 -2.301 1.00 1.05 C ATOM 666 NH1 ARG A 91 0.778 11.710 -1.405 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.316 11.792 -3.098 1.00 1.64 N ATOM 0 H ARG A 91 1.512 7.848 2.221 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.635 8.718 0.727 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.178 6.298 0.597 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.105 6.506 -0.578 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.095 8.534 -0.058 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.117 7.348 -1.348 1.00 0.16 H new ATOM 0 HD2 ARG A 91 -0.005 8.300 -2.248 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.007 9.495 -0.967 1.00 0.29 H new ATOM 0 HE ARG A 91 2.091 9.321 -3.106 1.00 0.88 H new ATOM 0 HH11 ARG A 91 0.165 11.174 -0.791 1.00 1.35 H new ATOM 0 HH12 ARG A 91 0.814 12.727 -1.329 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.893 11.319 -3.794 1.00 1.64 H new ATOM 0 HH22 ARG A 91 2.346 12.808 -3.016 1.00 1.64 H new ATOM 681 N GLN A 92 -1.249 5.946 2.370 1.00 0.09 N ATOM 682 CA GLN A 92 -2.289 5.022 2.790 1.00 0.12 C ATOM 683 C GLN A 92 -3.261 5.703 3.749 1.00 0.11 C ATOM 684 O GLN A 92 -4.475 5.565 3.631 1.00 0.13 O ATOM 685 CB GLN A 92 -1.630 3.815 3.448 1.00 0.18 C ATOM 686 CG GLN A 92 -2.406 2.528 3.275 1.00 0.35 C ATOM 687 CD GLN A 92 -3.378 2.248 4.398 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.883 3.150 5.060 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.640 0.978 4.611 1.00 0.36 N ATOM 0 H GLN A 92 -0.336 5.767 2.789 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.863 4.695 1.923 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.631 3.685 3.031 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.508 4.015 4.513 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -2.954 2.569 2.334 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.703 1.698 3.199 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.197 0.262 4.035 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.287 0.708 5.352 1.00 0.36 H new ATOM 698 N GLN A 93 -2.706 6.455 4.678 1.00 0.12 N ATOM 699 CA GLN A 93 -3.482 7.175 5.678 1.00 0.14 C ATOM 700 C GLN A 93 -4.402 8.211 5.033 1.00 0.16 C ATOM 701 O GLN A 93 -5.502 8.472 5.523 1.00 0.20 O ATOM 702 CB GLN A 93 -2.547 7.859 6.680 1.00 0.15 C ATOM 703 CG GLN A 93 -1.925 6.904 7.687 1.00 0.15 C ATOM 704 CD GLN A 93 -2.910 5.901 8.253 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.617 6.176 9.223 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.929 4.716 7.670 1.00 0.22 N ATOM 0 H GLN A 93 -1.698 6.587 4.764 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.105 6.450 6.201 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.751 8.365 6.134 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.104 8.627 7.217 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.105 6.367 7.209 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.494 7.481 8.506 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.326 4.532 6.868 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.547 3.985 8.021 1.00 0.22 H new ATOM 715 N ARG A 94 -3.933 8.820 3.951 1.00 0.14 N ATOM 716 CA ARG A 94 -4.709 9.827 3.236 1.00 0.15 C ATOM 717 C ARG A 94 -5.535 9.213 2.107 1.00 0.14 C ATOM 718 O ARG A 94 -6.248 9.914 1.382 1.00 0.19 O ATOM 719 CB ARG A 94 -3.759 10.880 2.696 1.00 0.21 C ATOM 720 CG ARG A 94 -2.826 10.362 1.623 1.00 0.76 C ATOM 721 CD ARG A 94 -1.586 11.229 1.507 1.00 0.64 C ATOM 722 NE ARG A 94 -1.920 12.597 1.090 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.144 13.667 1.285 1.00 1.04 C ATOM 724 NH1 ARG A 94 -0.037 13.576 2.008 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.514 14.841 0.795 1.00 1.40 N ATOM 0 H ARG A 94 -3.015 8.633 3.548 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.416 10.283 3.929 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.340 11.708 2.291 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.166 11.279 3.519 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.536 9.337 1.854 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.347 10.338 0.666 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.069 11.256 2.466 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -0.898 10.786 0.787 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.812 12.741 0.616 1.00 0.86 H new ATOM 0 HH11 ARG A 94 0.230 12.683 2.422 1.00 1.60 H new ATOM 0 HH12 ARG A 94 0.548 14.399 2.151 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.386 14.924 0.273 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -0.927 15.662 0.940 1.00 1.40 H new ATOM 739 N ALA A 95 -5.421 7.905 1.959 1.00 0.12 N ATOM 740 CA ALA A 95 -6.159 7.173 0.935 1.00 0.12 C ATOM 741 C ALA A 95 -7.624 7.011 1.312 1.00 0.13 C ATOM 742 O ALA A 95 -8.015 7.225 2.461 1.00 0.17 O ATOM 743 CB ALA A 95 -5.543 5.801 0.710 1.00 0.13 C ATOM 0 H ALA A 95 -4.819 7.320 2.539 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.099 7.755 0.015 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.107 5.270 -0.057 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.509 5.915 0.386 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.571 5.233 1.640 1.00 0.13 H new ATOM 749 N HIS A 96 -8.430 6.648 0.326 1.00 0.12 N ATOM 750 CA HIS A 96 -9.834 6.353 0.536 1.00 0.13 C ATOM 751 C HIS A 96 -9.991 5.120 1.392 1.00 0.13 C ATOM 752 O HIS A 96 -9.604 4.030 0.987 1.00 0.12 O ATOM 753 CB HIS A 96 -10.523 6.125 -0.802 1.00 0.14 C ATOM 754 CG HIS A 96 -11.946 6.542 -0.766 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.753 6.161 0.266 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.636 7.352 -1.602 1.00 0.23 C ATOM 757 CE1 HIS A 96 -13.908 6.740 0.051 1.00 0.23 C ATOM 758 NE2 HIS A 96 -13.894 7.476 -1.070 1.00 0.25 N ATOM 0 H HIS A 96 -8.126 6.550 -0.643 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.292 7.202 1.044 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.000 6.682 -1.580 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.460 5.070 -1.068 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.269 7.810 -2.509 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.767 6.637 0.698 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.667 8.021 -1.452 1.00 0.25 H new ATOM 766 N SER A 97 -10.553 5.306 2.580 1.00 0.16 N ATOM 767 CA SER A 97 -10.820 4.202 3.484 1.00 0.20 C ATOM 768 C SER A 97 -11.658 3.120 2.807 1.00 0.18 C ATOM 769 O SER A 97 -11.491 1.936 3.093 1.00 0.18 O ATOM 770 CB SER A 97 -11.528 4.713 4.739 1.00 0.29 C ATOM 771 OG SER A 97 -10.794 5.766 5.341 1.00 1.32 O ATOM 0 H SER A 97 -10.833 6.219 2.939 1.00 0.16 H new ATOM 0 HA SER A 97 -9.866 3.757 3.767 1.00 0.20 H new ATOM 0 HB2 SER A 97 -12.528 5.063 4.481 1.00 0.29 H new ATOM 0 HB3 SER A 97 -11.650 3.896 5.451 1.00 0.29 H new ATOM 0 HG SER A 97 -11.266 6.078 6.141 1.00 1.32 H new ATOM 777 N LEU A 98 -12.564 3.529 1.917 1.00 0.18 N ATOM 778 CA LEU A 98 -13.323 2.591 1.102 1.00 0.18 C ATOM 779 C LEU A 98 -12.406 1.744 0.247 1.00 0.15 C ATOM 780 O LEU A 98 -12.564 0.535 0.150 1.00 0.18 O ATOM 781 CB LEU A 98 -14.265 3.349 0.191 1.00 0.21 C ATOM 782 CG LEU A 98 -15.539 3.857 0.848 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.321 4.681 -0.149 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.372 2.696 1.367 1.00 0.61 C ATOM 0 H LEU A 98 -12.787 4.509 1.745 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.883 1.942 1.775 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.730 4.200 -0.231 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.539 2.701 -0.641 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.280 4.485 1.701 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.235 5.047 0.319 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -15.717 5.527 -0.475 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.576 4.064 -1.010 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.279 3.079 1.834 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.639 2.041 0.538 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.795 2.134 2.102 1.00 0.61 H new ATOM 796 N PHE A 99 -11.433 2.406 -0.347 1.00 0.12 N ATOM 797 CA PHE A 99 -10.461 1.754 -1.209 1.00 0.11 C ATOM 798 C PHE A 99 -9.555 0.860 -0.376 1.00 0.11 C ATOM 799 O PHE A 99 -9.231 -0.260 -0.770 1.00 0.12 O ATOM 800 CB PHE A 99 -9.633 2.799 -1.955 1.00 0.12 C ATOM 801 CG PHE A 99 -8.382 2.245 -2.559 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.455 1.293 -3.550 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.137 2.673 -2.129 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.310 0.768 -4.112 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.987 2.156 -2.684 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.073 1.200 -3.679 1.00 0.18 C ATOM 0 H PHE A 99 -11.292 3.411 -0.247 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.988 1.142 -1.942 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.243 3.241 -2.743 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.370 3.603 -1.267 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.421 0.953 -3.892 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -7.067 3.419 -1.351 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.381 0.021 -4.889 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -5.021 2.497 -2.343 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.174 0.792 -4.117 1.00 0.18 H new ATOM 816 N LEU A 100 -9.163 1.370 0.780 1.00 0.12 N ATOM 817 CA LEU A 100 -8.355 0.618 1.727 1.00 0.14 C ATOM 818 C LEU A 100 -9.112 -0.610 2.207 1.00 0.16 C ATOM 819 O LEU A 100 -8.520 -1.587 2.634 1.00 0.21 O ATOM 820 CB LEU A 100 -7.987 1.504 2.915 1.00 0.17 C ATOM 821 CG LEU A 100 -7.330 2.822 2.545 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.316 3.759 3.737 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.928 2.571 2.038 1.00 0.22 C ATOM 0 H LEU A 100 -9.395 2.314 1.088 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.441 0.292 1.229 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.890 1.712 3.489 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.314 0.950 3.570 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.906 3.298 1.751 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.842 4.699 3.455 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.339 3.951 4.061 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.757 3.301 4.553 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.461 3.520 1.774 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.342 2.082 2.816 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.969 1.929 1.158 1.00 0.22 H new ATOM 835 N ALA A 101 -10.432 -0.549 2.148 1.00 0.16 N ATOM 836 CA ALA A 101 -11.260 -1.703 2.466 1.00 0.19 C ATOM 837 C ALA A 101 -11.783 -2.392 1.202 1.00 0.21 C ATOM 838 O ALA A 101 -12.627 -3.287 1.278 1.00 0.37 O ATOM 839 CB ALA A 101 -12.422 -1.287 3.356 1.00 0.23 C ATOM 0 H ALA A 101 -10.954 0.286 1.883 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.636 -2.420 3.000 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -13.034 -2.159 3.587 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -12.036 -0.859 4.281 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -13.029 -0.544 2.838 1.00 0.23 H new ATOM 845 N SER A 102 -11.274 -1.994 0.042 1.00 0.13 N ATOM 846 CA SER A 102 -11.724 -2.570 -1.218 1.00 0.15 C ATOM 847 C SER A 102 -10.751 -3.618 -1.740 1.00 0.17 C ATOM 848 O SER A 102 -9.572 -3.648 -1.369 1.00 0.25 O ATOM 849 CB SER A 102 -11.956 -1.481 -2.260 1.00 0.18 C ATOM 850 OG SER A 102 -13.166 -0.790 -2.010 1.00 1.40 O ATOM 0 H SER A 102 -10.553 -1.278 -0.052 1.00 0.13 H new ATOM 0 HA SER A 102 -12.672 -3.072 -1.026 1.00 0.15 H new ATOM 0 HB2 SER A 102 -11.123 -0.778 -2.249 1.00 0.18 H new ATOM 0 HB3 SER A 102 -11.985 -1.925 -3.255 1.00 0.18 H new ATOM 0 HG SER A 102 -12.996 -0.043 -1.398 1.00 1.40 H new ATOM 856 N ALA A 103 -11.285 -4.483 -2.591 1.00 0.20 N ATOM 857 CA ALA A 103 -10.547 -5.601 -3.161 1.00 0.21 C ATOM 858 C ALA A 103 -9.332 -5.137 -3.944 1.00 0.18 C ATOM 859 O ALA A 103 -8.305 -5.810 -3.957 1.00 0.19 O ATOM 860 CB ALA A 103 -11.455 -6.419 -4.063 1.00 0.27 C ATOM 0 H ALA A 103 -12.253 -4.428 -2.908 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.196 -6.218 -2.333 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.894 -7.253 -4.485 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.294 -6.803 -3.483 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.830 -5.789 -4.870 1.00 0.27 H new ATOM 866 N GLU A 104 -9.465 -3.994 -4.599 1.00 0.17 N ATOM 867 CA GLU A 104 -8.390 -3.448 -5.414 1.00 0.17 C ATOM 868 C GLU A 104 -7.110 -3.289 -4.603 1.00 0.14 C ATOM 869 O GLU A 104 -6.035 -3.667 -5.060 1.00 0.14 O ATOM 870 CB GLU A 104 -8.784 -2.101 -5.979 1.00 0.22 C ATOM 871 CG GLU A 104 -7.959 -1.678 -7.179 1.00 0.30 C ATOM 872 CD GLU A 104 -8.247 -0.252 -7.616 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.437 0.104 -7.741 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.286 0.521 -7.823 1.00 1.70 O ATOM 0 H GLU A 104 -10.311 -3.424 -4.582 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.210 -4.150 -6.228 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.836 -2.130 -6.264 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.686 -1.347 -5.198 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.900 -1.773 -6.938 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -8.159 -2.355 -8.009 1.00 0.30 H new ATOM 881 N PHE A 105 -7.219 -2.740 -3.395 1.00 0.13 N ATOM 882 CA PHE A 105 -6.045 -2.519 -2.569 1.00 0.13 C ATOM 883 C PHE A 105 -5.466 -3.849 -2.122 1.00 0.12 C ATOM 884 O PHE A 105 -4.256 -4.003 -2.056 1.00 0.13 O ATOM 885 CB PHE A 105 -6.379 -1.646 -1.353 1.00 0.13 C ATOM 886 CG PHE A 105 -5.158 -1.146 -0.635 1.00 0.12 C ATOM 887 CD1 PHE A 105 -4.006 -0.874 -1.350 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.154 -0.947 0.738 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.871 -0.414 -0.717 1.00 0.13 C ATOM 890 CE2 PHE A 105 -4.017 -0.485 1.377 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.875 -0.218 0.644 1.00 0.14 C ATOM 0 H PHE A 105 -8.100 -2.445 -2.974 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.302 -1.990 -3.166 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.977 -0.794 -1.678 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.992 -2.220 -0.658 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.995 -1.024 -2.419 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -6.045 -1.154 1.312 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.979 -0.208 -1.290 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -4.021 -0.333 2.446 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.987 0.144 1.140 1.00 0.14 H new ATOM 901 N CYS A 106 -6.333 -4.818 -1.848 1.00 0.13 N ATOM 902 CA CYS A 106 -5.881 -6.158 -1.488 1.00 0.15 C ATOM 903 C CYS A 106 -5.109 -6.752 -2.651 1.00 0.15 C ATOM 904 O CYS A 106 -4.041 -7.345 -2.477 1.00 0.16 O ATOM 905 CB CYS A 106 -7.068 -7.056 -1.128 1.00 0.19 C ATOM 906 SG CYS A 106 -6.605 -8.757 -0.718 1.00 0.29 S ATOM 0 H CYS A 106 -7.346 -4.703 -1.868 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.234 -6.091 -0.614 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.597 -6.620 -0.281 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.766 -7.072 -1.965 1.00 0.19 H new ATOM 0 HG CYS A 106 -6.776 -8.958 0.555 1.00 0.29 H new ATOM 912 N ASN A 107 -5.672 -6.572 -3.836 1.00 0.14 N ATOM 913 CA ASN A 107 -5.036 -6.967 -5.086 1.00 0.16 C ATOM 914 C ASN A 107 -3.652 -6.358 -5.183 1.00 0.15 C ATOM 915 O ASN A 107 -2.648 -7.060 -5.260 1.00 0.17 O ATOM 916 CB ASN A 107 -5.879 -6.465 -6.258 1.00 0.18 C ATOM 917 CG ASN A 107 -6.043 -7.490 -7.359 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.140 -8.281 -7.636 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.203 -7.481 -7.996 1.00 0.34 N ATOM 0 H ASN A 107 -6.590 -6.145 -3.959 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.955 -8.054 -5.115 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.864 -6.176 -5.891 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.417 -5.569 -6.671 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.377 -8.147 -8.749 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.924 -6.808 -7.734 1.00 0.34 H new ATOM 926 N ILE A 108 -3.626 -5.042 -5.116 1.00 0.13 N ATOM 927 CA ILE A 108 -2.419 -4.261 -5.293 1.00 0.13 C ATOM 928 C ILE A 108 -1.391 -4.600 -4.220 1.00 0.11 C ATOM 929 O ILE A 108 -0.213 -4.809 -4.510 1.00 0.12 O ATOM 930 CB ILE A 108 -2.797 -2.769 -5.229 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.591 -2.386 -6.476 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.577 -1.887 -5.060 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.388 -1.113 -6.313 1.00 0.17 C ATOM 0 H ILE A 108 -4.456 -4.477 -4.934 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.969 -4.491 -6.259 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.422 -2.609 -4.350 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.904 -2.271 -7.314 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.269 -3.200 -6.730 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.886 -0.843 -5.019 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -1.063 -2.150 -4.135 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.903 -2.033 -5.904 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.927 -0.901 -7.236 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.100 -1.231 -5.496 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.713 -0.287 -6.089 1.00 0.17 H new ATOM 945 N LEU A 109 -1.867 -4.678 -2.992 1.00 0.09 N ATOM 946 CA LEU A 109 -1.038 -4.990 -1.843 1.00 0.08 C ATOM 947 C LEU A 109 -0.385 -6.349 -1.958 1.00 0.09 C ATOM 948 O LEU A 109 0.837 -6.468 -1.911 1.00 0.10 O ATOM 949 CB LEU A 109 -1.873 -4.941 -0.586 1.00 0.08 C ATOM 950 CG LEU A 109 -1.820 -3.603 0.121 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.762 -3.587 1.286 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.412 -3.305 0.583 1.00 0.07 C ATOM 0 H LEU A 109 -2.849 -4.525 -2.762 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.244 -4.244 -1.802 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.909 -5.169 -0.838 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.532 -5.718 0.098 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.126 -2.830 -0.584 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.711 -2.618 1.782 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.779 -3.761 0.934 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.483 -4.371 1.990 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.392 -2.340 1.089 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.083 -4.083 1.272 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.255 -3.277 -0.278 1.00 0.07 H new ATOM 964 N SER A 110 -1.203 -7.369 -2.111 1.00 0.10 N ATOM 965 CA SER A 110 -0.712 -8.728 -2.206 1.00 0.12 C ATOM 966 C SER A 110 0.281 -8.847 -3.350 1.00 0.12 C ATOM 967 O SER A 110 1.277 -9.565 -3.250 1.00 0.14 O ATOM 968 CB SER A 110 -1.876 -9.680 -2.392 1.00 0.15 C ATOM 969 OG SER A 110 -2.768 -9.610 -1.292 1.00 1.15 O ATOM 0 H SER A 110 -2.217 -7.282 -2.173 1.00 0.10 H new ATOM 0 HA SER A 110 -0.195 -8.992 -1.283 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.407 -9.436 -3.312 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.504 -10.699 -2.499 1.00 0.15 H new ATOM 0 HG SER A 110 -3.396 -8.870 -1.427 1.00 1.15 H new ATOM 975 N ARG A 111 0.012 -8.108 -4.420 1.00 0.11 N ATOM 976 CA ARG A 111 0.907 -8.031 -5.558 1.00 0.12 C ATOM 977 C ARG A 111 2.255 -7.463 -5.165 1.00 0.11 C ATOM 978 O ARG A 111 3.284 -8.111 -5.339 1.00 0.13 O ATOM 979 CB ARG A 111 0.281 -7.163 -6.638 1.00 0.16 C ATOM 980 CG ARG A 111 -0.844 -7.850 -7.362 1.00 0.26 C ATOM 981 CD ARG A 111 -1.481 -6.956 -8.406 1.00 0.99 C ATOM 982 NE ARG A 111 -2.700 -7.548 -8.952 1.00 1.81 N ATOM 983 CZ ARG A 111 -3.010 -7.555 -10.246 1.00 2.57 C ATOM 984 NH1 ARG A 111 -2.184 -7.014 -11.132 1.00 2.67 N ATOM 985 NH2 ARG A 111 -4.148 -8.106 -10.652 1.00 3.55 N ATOM 0 H ARG A 111 -0.834 -7.547 -4.519 1.00 0.11 H new ATOM 0 HA ARG A 111 1.064 -9.041 -5.936 1.00 0.12 H new ATOM 0 HB2 ARG A 111 -0.092 -6.243 -6.187 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.048 -6.877 -7.357 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.468 -8.754 -7.841 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.601 -8.162 -6.642 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -1.713 -5.987 -7.963 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -0.771 -6.775 -9.213 1.00 0.99 H new ATOM 0 HE ARG A 111 -3.354 -7.983 -8.301 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -1.309 -6.591 -10.822 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -2.424 -7.021 -12.123 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -4.784 -8.523 -9.972 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -4.386 -8.112 -11.644 1.00 3.55 H new ATOM 999 N VAL A 112 2.246 -6.260 -4.614 1.00 0.10 N ATOM 1000 CA VAL A 112 3.493 -5.570 -4.307 1.00 0.10 C ATOM 1001 C VAL A 112 4.257 -6.274 -3.211 1.00 0.11 C ATOM 1002 O VAL A 112 5.457 -6.421 -3.315 1.00 0.12 O ATOM 1003 CB VAL A 112 3.313 -4.089 -3.909 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.037 -3.237 -5.121 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.215 -3.901 -2.890 1.00 0.10 C ATOM 0 H VAL A 112 1.400 -5.744 -4.372 1.00 0.10 H new ATOM 0 HA VAL A 112 4.056 -5.594 -5.240 1.00 0.10 H new ATOM 0 HB VAL A 112 4.250 -3.771 -3.452 1.00 0.10 H new ATOM 0 HG11 VAL A 112 2.914 -2.198 -4.815 1.00 0.11 H new ATOM 0 HG12 VAL A 112 3.872 -3.314 -5.817 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.125 -3.582 -5.608 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.126 -2.843 -2.642 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.271 -4.257 -3.302 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.454 -4.466 -1.989 1.00 0.10 H new ATOM 1015 N LEU A 113 3.566 -6.710 -2.171 1.00 0.10 N ATOM 1016 CA LEU A 113 4.210 -7.437 -1.083 1.00 0.11 C ATOM 1017 C LEU A 113 4.962 -8.645 -1.612 1.00 0.12 C ATOM 1018 O LEU A 113 6.152 -8.831 -1.355 1.00 0.14 O ATOM 1019 CB LEU A 113 3.179 -7.887 -0.055 1.00 0.11 C ATOM 1020 CG LEU A 113 3.038 -6.943 1.116 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.848 -6.028 0.919 1.00 0.31 C ATOM 1022 CD2 LEU A 113 2.941 -7.714 2.416 1.00 0.28 C ATOM 0 H LEU A 113 2.562 -6.575 -2.055 1.00 0.10 H new ATOM 0 HA LEU A 113 4.920 -6.762 -0.605 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.211 -7.991 -0.545 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.456 -8.874 0.316 1.00 0.11 H new ATOM 0 HG LEU A 113 3.930 -6.319 1.171 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.762 -5.355 1.772 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.984 -5.444 0.009 1.00 0.31 H new ATOM 0 HD13 LEU A 113 0.940 -6.625 0.835 1.00 0.31 H new ATOM 0 HD21 LEU A 113 2.840 -7.015 3.247 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.071 -8.370 2.386 1.00 0.28 H new ATOM 0 HD23 LEU A 113 3.842 -8.312 2.552 1.00 0.28 H new ATOM 1034 N SER A 114 4.240 -9.438 -2.366 1.00 0.13 N ATOM 1035 CA SER A 114 4.771 -10.650 -2.984 1.00 0.15 C ATOM 1036 C SER A 114 5.961 -10.327 -3.880 1.00 0.15 C ATOM 1037 O SER A 114 7.003 -10.981 -3.812 1.00 0.17 O ATOM 1038 CB SER A 114 3.669 -11.346 -3.792 1.00 0.17 C ATOM 1039 OG SER A 114 4.132 -12.556 -4.366 1.00 1.00 O ATOM 0 H SER A 114 3.257 -9.267 -2.576 1.00 0.13 H new ATOM 0 HA SER A 114 5.115 -11.320 -2.196 1.00 0.15 H new ATOM 0 HB2 SER A 114 2.817 -11.552 -3.145 1.00 0.17 H new ATOM 0 HB3 SER A 114 3.318 -10.679 -4.580 1.00 0.17 H new ATOM 0 HG SER A 114 3.406 -12.976 -4.873 1.00 1.00 H new ATOM 1045 N ARG A 115 5.802 -9.305 -4.706 1.00 0.13 N ATOM 1046 CA ARG A 115 6.858 -8.873 -5.603 1.00 0.14 C ATOM 1047 C ARG A 115 8.024 -8.291 -4.807 1.00 0.14 C ATOM 1048 O ARG A 115 9.182 -8.485 -5.149 1.00 0.18 O ATOM 1049 CB ARG A 115 6.306 -7.836 -6.587 1.00 0.17 C ATOM 1050 CG ARG A 115 5.286 -8.402 -7.562 1.00 0.24 C ATOM 1051 CD ARG A 115 4.664 -7.314 -8.430 1.00 0.35 C ATOM 1052 NE ARG A 115 5.532 -6.904 -9.535 1.00 0.84 N ATOM 1053 CZ ARG A 115 5.446 -5.723 -10.158 1.00 1.19 C ATOM 1054 NH1 ARG A 115 4.569 -4.809 -9.757 1.00 1.20 N ATOM 1055 NH2 ARG A 115 6.246 -5.453 -11.181 1.00 1.83 N ATOM 0 H ARG A 115 4.944 -8.757 -4.772 1.00 0.13 H new ATOM 0 HA ARG A 115 7.224 -9.732 -6.165 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.846 -7.023 -6.025 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.134 -7.405 -7.150 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.766 -9.144 -8.199 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.501 -8.917 -7.008 1.00 0.24 H new ATOM 0 HD2 ARG A 115 3.717 -7.674 -8.832 1.00 0.35 H new ATOM 0 HD3 ARG A 115 4.438 -6.446 -7.810 1.00 0.35 H new ATOM 0 HE ARG A 115 6.247 -7.560 -9.850 1.00 0.84 H new ATOM 0 HH11 ARG A 115 3.953 -5.005 -8.968 1.00 1.20 H new ATOM 0 HH12 ARG A 115 4.511 -3.912 -10.239 1.00 1.20 H new ATOM 0 HH21 ARG A 115 6.927 -6.146 -11.493 1.00 1.83 H new ATOM 0 HH22 ARG A 115 6.180 -4.553 -11.656 1.00 1.83 H new ATOM 1069 N ALA A 116 7.687 -7.577 -3.746 1.00 0.13 N ATOM 1070 CA ALA A 116 8.673 -6.897 -2.905 1.00 0.14 C ATOM 1071 C ALA A 116 9.593 -7.875 -2.176 1.00 0.16 C ATOM 1072 O ALA A 116 10.797 -7.659 -2.098 1.00 0.18 O ATOM 1073 CB ALA A 116 7.967 -5.978 -1.926 1.00 0.15 C ATOM 0 H ALA A 116 6.723 -7.449 -3.439 1.00 0.13 H new ATOM 0 HA ALA A 116 9.313 -6.303 -3.558 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.706 -5.474 -1.302 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.389 -5.235 -2.476 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.298 -6.563 -1.295 1.00 0.15 H new ATOM 1079 N ARG A 117 9.022 -8.939 -1.633 1.00 0.19 N ATOM 1080 CA ARG A 117 9.811 -9.998 -1.008 1.00 0.24 C ATOM 1081 C ARG A 117 10.681 -10.724 -2.026 1.00 0.26 C ATOM 1082 O ARG A 117 11.776 -11.185 -1.710 1.00 0.32 O ATOM 1083 CB ARG A 117 8.908 -11.008 -0.317 1.00 0.28 C ATOM 1084 CG ARG A 117 8.589 -10.641 1.109 1.00 0.61 C ATOM 1085 CD ARG A 117 7.210 -10.022 1.250 1.00 0.34 C ATOM 1086 NE ARG A 117 6.837 -9.848 2.650 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.661 -10.212 3.161 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.756 -10.816 2.397 1.00 1.30 N ATOM 1089 NH2 ARG A 117 5.398 -9.988 4.441 1.00 2.33 N ATOM 0 H ARG A 117 8.014 -9.095 -1.611 1.00 0.19 H new ATOM 0 HA ARG A 117 10.457 -9.521 -0.271 1.00 0.24 H new ATOM 0 HB2 ARG A 117 7.978 -11.098 -0.879 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.388 -11.987 -0.335 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.650 -11.532 1.734 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.339 -9.941 1.478 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.192 -9.056 0.746 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.475 -10.655 0.753 1.00 0.34 H new ATOM 0 HE ARG A 117 7.519 -9.421 3.277 1.00 1.22 H new ATOM 0 HH11 ARG A 117 4.960 -11.003 1.415 1.00 1.30 H new ATOM 0 HH12 ARG A 117 3.857 -11.093 2.793 1.00 1.30 H new ATOM 0 HH21 ARG A 117 6.095 -9.538 5.034 1.00 2.33 H new ATOM 0 HH22 ARG A 117 4.498 -10.266 4.833 1.00 2.33 H new ATOM 1103 N SER A 118 10.182 -10.824 -3.243 1.00 0.26 N ATOM 1104 CA SER A 118 10.885 -11.526 -4.307 1.00 0.31 C ATOM 1105 C SER A 118 11.971 -10.642 -4.875 1.00 0.28 C ATOM 1106 O SER A 118 13.068 -11.093 -5.207 1.00 0.32 O ATOM 1107 CB SER A 118 9.908 -11.892 -5.416 1.00 0.37 C ATOM 1108 OG SER A 118 10.350 -13.019 -6.159 1.00 0.68 O ATOM 0 H SER A 118 9.286 -10.426 -3.524 1.00 0.26 H new ATOM 0 HA SER A 118 11.330 -12.433 -3.898 1.00 0.31 H new ATOM 0 HB2 SER A 118 8.930 -12.103 -4.984 1.00 0.37 H new ATOM 0 HB3 SER A 118 9.784 -11.041 -6.086 1.00 0.37 H new ATOM 0 HG SER A 118 9.697 -13.225 -6.860 1.00 0.68 H new ATOM 1114 N ARG A 119 11.645 -9.375 -4.966 1.00 0.23 N ATOM 1115 CA ARG A 119 12.508 -8.389 -5.540 1.00 0.20 C ATOM 1116 C ARG A 119 12.595 -7.173 -4.646 1.00 0.18 C ATOM 1117 O ARG A 119 12.004 -6.134 -4.927 1.00 0.17 O ATOM 1118 CB ARG A 119 11.973 -8.011 -6.900 1.00 0.25 C ATOM 1119 CG ARG A 119 12.559 -8.844 -8.002 1.00 0.33 C ATOM 1120 CD ARG A 119 13.976 -8.387 -8.316 1.00 0.33 C ATOM 1121 NE ARG A 119 14.614 -9.203 -9.342 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.924 -9.444 -9.394 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.716 -9.032 -8.415 1.00 1.48 N ATOM 1124 NH2 ARG A 119 16.430 -10.122 -10.413 1.00 1.19 N ATOM 0 H ARG A 119 10.756 -9.001 -4.635 1.00 0.23 H new ATOM 0 HA ARG A 119 13.513 -8.797 -5.642 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.889 -8.121 -6.903 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.187 -6.959 -7.091 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.565 -9.894 -7.709 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.939 -8.766 -8.895 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.954 -7.348 -8.645 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.575 -8.421 -7.406 1.00 0.33 H new ATOM 0 HE ARG A 119 14.022 -9.614 -10.064 1.00 0.55 H new ATOM 0 HH11 ARG A 119 16.324 -8.529 -7.619 1.00 1.48 H new ATOM 0 HH12 ARG A 119 17.718 -9.218 -8.457 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.818 -10.459 -11.156 1.00 1.19 H new ATOM 0 HH22 ARG A 119 17.432 -10.308 -10.455 1.00 1.19 H new ATOM 1138 N PRO A 120 13.343 -7.293 -3.555 1.00 0.19 N ATOM 1139 CA PRO A 120 13.543 -6.206 -2.602 1.00 0.19 C ATOM 1140 C PRO A 120 14.312 -5.030 -3.205 1.00 0.20 C ATOM 1141 O PRO A 120 14.432 -3.974 -2.587 1.00 0.21 O ATOM 1142 CB PRO A 120 14.332 -6.878 -1.484 1.00 0.23 C ATOM 1143 CG PRO A 120 15.034 -7.987 -2.159 1.00 0.25 C ATOM 1144 CD PRO A 120 14.033 -8.518 -3.128 1.00 0.22 C ATOM 0 HA PRO A 120 12.604 -5.763 -2.268 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.034 -6.186 -1.019 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.674 -7.243 -0.695 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.934 -7.639 -2.666 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.345 -8.753 -1.448 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.507 -9.032 -3.964 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.351 -9.229 -2.662 1.00 0.22 H new ATOM 1152 N ALA A 121 14.834 -5.215 -4.415 1.00 0.20 N ATOM 1153 CA ALA A 121 15.430 -4.111 -5.157 1.00 0.22 C ATOM 1154 C ALA A 121 14.315 -3.293 -5.781 1.00 0.19 C ATOM 1155 O ALA A 121 14.337 -2.063 -5.809 1.00 0.21 O ATOM 1156 CB ALA A 121 16.358 -4.628 -6.242 1.00 0.25 C ATOM 0 H ALA A 121 14.856 -6.113 -4.898 1.00 0.20 H new ATOM 0 HA ALA A 121 16.018 -3.495 -4.477 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.791 -3.786 -6.782 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.155 -5.217 -5.789 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.795 -5.253 -6.935 1.00 0.25 H new ATOM 1162 N LYS A 122 13.330 -4.030 -6.254 1.00 0.16 N ATOM 1163 CA LYS A 122 12.140 -3.479 -6.848 1.00 0.16 C ATOM 1164 C LYS A 122 11.195 -2.919 -5.793 1.00 0.11 C ATOM 1165 O LYS A 122 10.177 -2.336 -6.132 1.00 0.11 O ATOM 1166 CB LYS A 122 11.445 -4.565 -7.617 1.00 0.20 C ATOM 1167 CG LYS A 122 12.140 -4.891 -8.900 1.00 0.27 C ATOM 1168 CD LYS A 122 11.638 -4.032 -10.023 1.00 0.41 C ATOM 1169 CE LYS A 122 10.193 -4.335 -10.325 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.682 -3.556 -11.484 1.00 1.07 N ATOM 0 H LYS A 122 13.340 -5.050 -6.233 1.00 0.16 H new ATOM 0 HA LYS A 122 12.425 -2.659 -7.507 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.387 -5.462 -7.001 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.421 -4.257 -7.830 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.214 -4.748 -8.781 1.00 0.27 H new ATOM 0 HG3 LYS A 122 11.984 -5.942 -9.145 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.746 -2.980 -9.758 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.243 -4.200 -10.914 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.083 -5.400 -10.529 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.587 -4.114 -9.446 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 8.664 -3.382 -11.363 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 10.184 -2.647 -11.540 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 9.840 -4.093 -12.360 1.00 1.07 H new ATOM 1184 N LEU A 123 11.510 -3.145 -4.517 1.00 0.10 N ATOM 1185 CA LEU A 123 10.702 -2.643 -3.413 1.00 0.08 C ATOM 1186 C LEU A 123 10.301 -1.190 -3.601 1.00 0.08 C ATOM 1187 O LEU A 123 9.155 -0.850 -3.391 1.00 0.13 O ATOM 1188 CB LEU A 123 11.457 -2.793 -2.107 1.00 0.12 C ATOM 1189 CG LEU A 123 10.699 -2.320 -0.875 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.353 -3.012 -0.779 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.515 -2.576 0.367 1.00 0.23 C ATOM 0 H LEU A 123 12.329 -3.679 -4.224 1.00 0.10 H new ATOM 0 HA LEU A 123 9.789 -3.237 -3.390 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.720 -3.842 -1.974 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.392 -2.236 -2.178 1.00 0.12 H new ATOM 0 HG LEU A 123 10.525 -1.248 -0.964 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.826 -2.661 0.108 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.762 -2.784 -1.666 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.502 -4.090 -0.710 1.00 0.12 H new ATOM 0 HD21 LEU A 123 10.963 -2.234 1.242 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.714 -3.644 0.458 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.459 -2.036 0.300 1.00 0.23 H new ATOM 1203 N TYR A 124 11.230 -0.342 -4.019 1.00 0.11 N ATOM 1204 CA TYR A 124 10.917 1.037 -4.297 1.00 0.10 C ATOM 1205 C TYR A 124 9.861 1.152 -5.372 1.00 0.11 C ATOM 1206 O TYR A 124 8.998 2.008 -5.293 1.00 0.14 O ATOM 1207 CB TYR A 124 12.187 1.774 -4.686 1.00 0.14 C ATOM 1208 CG TYR A 124 13.114 1.850 -3.523 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.575 1.966 -2.272 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.490 1.801 -3.655 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.360 2.035 -1.159 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.303 1.868 -2.543 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.731 1.986 -1.289 1.00 1.45 C ATOM 1214 OH TYR A 124 15.530 2.059 -0.171 1.00 1.89 O ATOM 0 H TYR A 124 12.207 -0.594 -4.171 1.00 0.11 H new ATOM 0 HA TYR A 124 10.506 1.496 -3.398 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.674 1.262 -5.516 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.942 2.778 -5.031 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.501 2.004 -2.162 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.931 1.710 -4.637 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.910 2.127 -0.182 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.377 1.829 -2.650 1.00 1.74 H new ATOM 0 HH TYR A 124 16.472 2.009 -0.438 1.00 1.89 H new ATOM 1224 N VAL A 125 9.880 0.258 -6.339 1.00 0.10 N ATOM 1225 CA VAL A 125 8.869 0.267 -7.376 1.00 0.12 C ATOM 1226 C VAL A 125 7.523 0.061 -6.733 1.00 0.11 C ATOM 1227 O VAL A 125 6.581 0.784 -6.981 1.00 0.14 O ATOM 1228 CB VAL A 125 9.075 -0.876 -8.376 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.049 -0.806 -9.485 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.482 -0.875 -8.929 1.00 0.18 C ATOM 0 H VAL A 125 10.579 -0.479 -6.429 1.00 0.10 H new ATOM 0 HA VAL A 125 8.935 1.220 -7.902 1.00 0.12 H new ATOM 0 HB VAL A 125 8.935 -1.818 -7.845 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.213 -1.626 -10.184 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.048 -0.885 -9.060 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.146 0.144 -10.011 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.596 -1.698 -9.635 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.672 0.070 -9.439 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.194 -0.996 -8.113 1.00 0.18 H new ATOM 1240 N TYR A 126 7.501 -0.933 -5.874 1.00 0.07 N ATOM 1241 CA TYR A 126 6.310 -1.386 -5.179 1.00 0.08 C ATOM 1242 C TYR A 126 5.861 -0.368 -4.137 1.00 0.08 C ATOM 1243 O TYR A 126 4.670 -0.094 -3.998 1.00 0.10 O ATOM 1244 CB TYR A 126 6.662 -2.733 -4.556 1.00 0.11 C ATOM 1245 CG TYR A 126 7.236 -3.684 -5.576 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.737 -3.729 -6.874 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.294 -4.508 -5.258 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.279 -4.579 -7.815 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.837 -5.363 -6.198 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.325 -5.391 -7.472 1.00 0.28 C ATOM 1251 OH TYR A 126 8.860 -6.248 -8.407 1.00 0.36 O ATOM 0 H TYR A 126 8.335 -1.467 -5.630 1.00 0.07 H new ATOM 0 HA TYR A 126 5.467 -1.494 -5.862 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.381 -2.585 -3.751 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.770 -3.172 -4.110 1.00 0.11 H new ATOM 0 HD1 TYR A 126 5.912 -3.088 -7.149 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.705 -4.485 -4.259 1.00 0.21 H new ATOM 0 HE1 TYR A 126 6.879 -4.603 -8.818 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.662 -6.007 -5.932 1.00 0.27 H new ATOM 0 HH TYR A 126 9.596 -6.754 -8.004 1.00 0.36 H new ATOM 1261 N ILE A 127 6.820 0.188 -3.413 1.00 0.08 N ATOM 1262 CA ILE A 127 6.576 1.287 -2.499 1.00 0.11 C ATOM 1263 C ILE A 127 5.949 2.450 -3.234 1.00 0.12 C ATOM 1264 O ILE A 127 4.854 2.896 -2.893 1.00 0.14 O ATOM 1265 CB ILE A 127 7.903 1.741 -1.863 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.408 0.681 -0.899 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.759 3.078 -1.154 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.871 0.828 -0.580 1.00 0.13 C ATOM 0 H ILE A 127 7.794 -0.114 -3.445 1.00 0.08 H new ATOM 0 HA ILE A 127 5.894 0.948 -1.719 1.00 0.11 H new ATOM 0 HB ILE A 127 8.630 1.873 -2.664 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.833 0.734 0.025 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.232 -0.306 -1.327 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.716 3.364 -0.718 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.445 3.837 -1.870 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.012 2.993 -0.364 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.173 0.043 0.113 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.454 0.746 -1.498 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.048 1.802 -0.124 1.00 0.13 H new ATOM 1280 N ASN A 128 6.643 2.918 -4.261 1.00 0.12 N ATOM 1281 CA ASN A 128 6.135 4.006 -5.087 1.00 0.15 C ATOM 1282 C ASN A 128 4.837 3.605 -5.780 1.00 0.12 C ATOM 1283 O ASN A 128 3.962 4.438 -5.982 1.00 0.12 O ATOM 1284 CB ASN A 128 7.166 4.437 -6.132 1.00 0.20 C ATOM 1285 CG ASN A 128 8.340 5.207 -5.537 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.300 6.430 -5.407 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.396 4.490 -5.187 1.00 0.42 N ATOM 0 H ASN A 128 7.557 2.563 -4.543 1.00 0.12 H new ATOM 0 HA ASN A 128 5.936 4.849 -4.426 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.543 3.553 -6.647 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.676 5.058 -6.882 1.00 0.20 H new ATOM 0 HD21 ASN A 128 10.217 4.950 -4.793 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.389 3.478 -5.311 1.00 0.42 H new ATOM 1294 N GLU A 129 4.714 2.332 -6.133 1.00 0.11 N ATOM 1295 CA GLU A 129 3.525 1.813 -6.788 1.00 0.10 C ATOM 1296 C GLU A 129 2.305 1.948 -5.902 1.00 0.09 C ATOM 1297 O GLU A 129 1.279 2.469 -6.320 1.00 0.14 O ATOM 1298 CB GLU A 129 3.726 0.346 -7.158 1.00 0.14 C ATOM 1299 CG GLU A 129 3.329 0.059 -8.567 1.00 0.26 C ATOM 1300 CD GLU A 129 3.650 -1.348 -9.035 1.00 1.41 C ATOM 1301 OE1 GLU A 129 2.793 -2.243 -8.870 1.00 1.55 O ATOM 1302 OE2 GLU A 129 4.737 -1.560 -9.608 1.00 2.29 O ATOM 0 H GLU A 129 5.438 1.631 -5.972 1.00 0.11 H new ATOM 0 HA GLU A 129 3.361 2.400 -7.692 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.773 0.078 -7.016 1.00 0.14 H new ATOM 0 HB3 GLU A 129 3.142 -0.280 -6.483 1.00 0.14 H new ATOM 0 HG2 GLU A 129 2.257 0.228 -8.671 1.00 0.26 H new ATOM 0 HG3 GLU A 129 3.829 0.770 -9.224 1.00 0.26 H new ATOM 1309 N LEU A 130 2.450 1.507 -4.670 1.00 0.07 N ATOM 1310 CA LEU A 130 1.369 1.496 -3.714 1.00 0.08 C ATOM 1311 C LEU A 130 1.054 2.920 -3.349 1.00 0.09 C ATOM 1312 O LEU A 130 -0.095 3.318 -3.236 1.00 0.10 O ATOM 1313 CB LEU A 130 1.794 0.731 -2.477 1.00 0.08 C ATOM 1314 CG LEU A 130 0.645 0.170 -1.671 1.00 0.09 C ATOM 1315 CD1 LEU A 130 -0.024 -0.946 -2.439 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.141 -0.313 -0.329 1.00 0.08 C ATOM 0 H LEU A 130 3.330 1.144 -4.303 1.00 0.07 H new ATOM 0 HA LEU A 130 0.489 1.013 -4.140 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.447 -0.088 -2.777 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.382 1.391 -1.840 1.00 0.08 H new ATOM 0 HG LEU A 130 -0.092 0.954 -1.497 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.851 -1.346 -1.853 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.403 -0.560 -3.385 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.699 -1.738 -2.634 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.306 -0.715 0.244 1.00 0.08 H new ATOM 0 HD22 LEU A 130 1.889 -1.092 -0.476 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.587 0.520 0.215 1.00 0.08 H new ATOM 1328 N CYS A 131 2.117 3.677 -3.202 1.00 0.11 N ATOM 1329 CA CYS A 131 2.047 5.091 -2.962 1.00 0.13 C ATOM 1330 C CYS A 131 1.277 5.792 -4.082 1.00 0.13 C ATOM 1331 O CYS A 131 0.410 6.625 -3.829 1.00 0.14 O ATOM 1332 CB CYS A 131 3.470 5.613 -2.870 1.00 0.18 C ATOM 1333 SG CYS A 131 4.206 5.479 -1.226 1.00 1.39 S ATOM 0 H CYS A 131 3.070 3.316 -3.248 1.00 0.11 H new ATOM 0 HA CYS A 131 1.513 5.293 -2.033 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.092 5.066 -3.579 1.00 0.18 H new ATOM 0 HB3 CYS A 131 3.481 6.659 -3.176 1.00 0.18 H new ATOM 0 HG CYS A 131 5.178 6.335 -1.114 1.00 1.39 H new ATOM 1339 N THR A 132 1.596 5.431 -5.317 1.00 0.12 N ATOM 1340 CA THR A 132 0.908 5.964 -6.483 1.00 0.14 C ATOM 1341 C THR A 132 -0.547 5.492 -6.501 1.00 0.11 C ATOM 1342 O THR A 132 -1.460 6.264 -6.773 1.00 0.15 O ATOM 1343 CB THR A 132 1.625 5.536 -7.780 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.968 6.043 -7.783 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.895 6.043 -9.006 1.00 0.24 C ATOM 0 H THR A 132 2.335 4.764 -5.538 1.00 0.12 H new ATOM 0 HA THR A 132 0.923 7.052 -6.424 1.00 0.14 H new ATOM 0 HB THR A 132 1.638 4.447 -7.813 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.574 5.365 -7.418 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.426 5.724 -9.903 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.117 5.638 -9.020 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.850 7.132 -8.978 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.739 4.217 -6.208 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.057 3.625 -5.999 1.00 0.07 C ATOM 1355 C VAL A 133 -2.898 4.431 -5.017 1.00 0.07 C ATOM 1356 O VAL A 133 -4.054 4.764 -5.282 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.878 2.199 -5.458 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.102 1.695 -4.724 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.518 1.261 -6.581 1.00 0.10 C ATOM 0 H VAL A 133 0.026 3.550 -6.106 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.580 3.618 -6.955 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.065 2.231 -4.732 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.919 0.683 -4.364 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.314 2.349 -3.878 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.956 1.690 -5.401 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.393 0.252 -6.187 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.313 1.264 -7.326 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.587 1.588 -7.043 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.302 4.737 -3.887 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.976 5.469 -2.833 1.00 0.11 C ATOM 1371 C LEU A 134 -3.185 6.918 -3.247 1.00 0.14 C ATOM 1372 O LEU A 134 -4.145 7.559 -2.835 1.00 0.18 O ATOM 1373 CB LEU A 134 -2.143 5.380 -1.561 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.866 3.956 -1.085 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.743 3.945 -0.065 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.124 3.331 -0.509 1.00 0.16 C ATOM 0 H LEU A 134 -1.337 4.487 -3.670 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.958 5.032 -2.649 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.192 5.885 -1.728 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.656 5.922 -0.767 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.553 3.360 -1.943 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.559 2.922 0.263 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.163 4.349 -0.517 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.024 4.556 0.793 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.906 2.316 -0.175 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.471 3.925 0.337 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.899 3.303 -1.274 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.281 7.418 -4.081 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.374 8.739 -4.640 1.00 0.17 C ATOM 1390 C LYS A 135 -3.513 8.772 -5.642 1.00 0.15 C ATOM 1391 O LYS A 135 -4.170 9.793 -5.844 1.00 0.18 O ATOM 1392 CB LYS A 135 -1.049 9.061 -5.333 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.549 10.464 -5.107 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.605 11.480 -5.464 1.00 0.68 C ATOM 1395 CE LYS A 135 -2.297 12.018 -4.225 1.00 1.32 C ATOM 1396 NZ LYS A 135 -3.322 13.041 -4.557 1.00 1.82 N ATOM 0 H LYS A 135 -1.456 6.901 -4.385 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.568 9.477 -3.861 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.292 8.359 -4.985 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.165 8.899 -6.405 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.260 10.587 -4.063 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.344 10.636 -5.708 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -1.149 12.303 -6.014 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -2.342 11.024 -6.125 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -2.768 11.195 -3.687 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -1.555 12.453 -3.556 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -3.769 13.381 -3.682 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 -2.870 13.839 -5.047 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 -4.045 12.620 -5.174 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.746 7.622 -6.247 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.773 7.466 -7.242 1.00 0.14 C ATOM 1412 C ALA A 136 -6.141 7.481 -6.587 1.00 0.16 C ATOM 1413 O ALA A 136 -7.124 7.934 -7.172 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.556 6.155 -7.983 1.00 0.17 C ATOM 0 H ALA A 136 -3.221 6.769 -6.056 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.723 8.293 -7.950 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.332 6.031 -8.739 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.578 6.167 -8.465 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.602 5.326 -7.277 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.190 6.982 -5.360 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.451 6.814 -4.659 1.00 0.23 C ATOM 1422 C HIS A 137 -7.407 7.451 -3.279 1.00 0.24 C ATOM 1423 O HIS A 137 -7.854 6.859 -2.300 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.793 5.327 -4.535 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.627 4.563 -5.813 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -8.156 4.968 -7.016 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.941 3.431 -6.074 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.796 4.119 -7.956 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -7.060 3.168 -7.411 1.00 0.34 N ATOM 0 H HIS A 137 -5.370 6.687 -4.831 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.225 7.316 -5.240 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -7.159 4.880 -3.770 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.823 5.227 -4.193 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -6.395 2.838 -5.355 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -8.059 4.189 -9.001 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.650 2.374 -7.903 1.00 0.34 H new