USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 656 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 HIS : no HE2:sc= 0.669 K(o=0.054,f=-4.5!) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= -0.615 USER MOD Set 2.1: A 92 GLN : amide:sc= 0.0579 K(o=0.0031,f=-4.2!) USER MOD Set 2.2: A 93 GLN : amide:sc= -0.0548 K(o=0.0031,f=-0.58) USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 0.444 (180deg=0.405) USER MOD Single : A 63 ASN : amide:sc= -1.63 K(o=-1.6,f=-9.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 63:sc= -1.93 USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= 1.24 (180deg=1.12) USER MOD Single : A 76 MET CE :methyl 169:sc= -3.33! (180deg=-3.95!) USER MOD Single : A 77 GLN : amide:sc= -0.547 K(o=-0.55,f=-1.3) USER MOD Single : A 78 THR OG1 : rot -39:sc= 1.24 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.96! C(o=-0.96!,f=-11!) USER MOD Single : A 96 HIS : no HD1:sc= -1.54! C(o=-1.5!,f=-9.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -33:sc= 0.43 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0236 X(o=-0.024,f=-0.42) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 96:sc= 1.26 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -22:sc= -4.49! USER MOD Single : A 128 ASN : amide:sc= 0.884 K(o=0.88,f=-0.58) USER MOD Single : A 131 CYS SG : rot 129:sc= -4.4! USER MOD Single : A 132 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 60 -10.467 -4.489 4.320 1.00 0.29 N ATOM 139 CA LYS A 60 -9.981 -3.454 5.235 1.00 0.29 C ATOM 140 C LYS A 60 -8.902 -4.007 6.162 1.00 0.25 C ATOM 141 O LYS A 60 -7.800 -3.467 6.234 1.00 0.26 O ATOM 142 CB LYS A 60 -11.178 -2.913 6.040 1.00 0.37 C ATOM 143 CG LYS A 60 -10.853 -1.867 7.099 1.00 0.57 C ATOM 144 CD LYS A 60 -10.364 -2.505 8.385 1.00 0.43 C ATOM 145 CE LYS A 60 -10.351 -1.513 9.524 1.00 0.76 C ATOM 146 NZ LYS A 60 -9.499 -0.334 9.229 1.00 1.62 N ATOM 0 HA LYS A 60 -9.527 -2.643 4.665 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.896 -2.483 5.341 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.672 -3.753 6.528 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -10.091 -1.187 6.717 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.741 -1.269 7.304 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -11.006 -3.347 8.642 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.360 -2.903 8.236 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -11.369 -1.182 9.727 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -9.989 -2.004 10.427 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -9.533 0.328 10.030 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.518 -0.644 9.077 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.848 0.141 8.372 1.00 1.62 H new ATOM 160 N LEU A 61 -9.235 -5.082 6.865 1.00 0.25 N ATOM 161 CA LEU A 61 -8.286 -5.761 7.725 1.00 0.25 C ATOM 162 C LEU A 61 -7.078 -6.231 6.947 1.00 0.26 C ATOM 163 O LEU A 61 -5.936 -5.957 7.317 1.00 0.30 O ATOM 164 CB LEU A 61 -8.940 -6.961 8.381 1.00 0.30 C ATOM 165 CG LEU A 61 -9.014 -6.880 9.898 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.256 -8.257 10.495 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.753 -6.228 10.470 1.00 0.63 C ATOM 0 H LEU A 61 -10.164 -5.502 6.853 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.963 -5.048 8.484 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.949 -7.072 7.985 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.388 -7.859 8.103 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.859 -6.248 10.172 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.306 -8.179 11.581 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.196 -8.658 10.116 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.439 -8.923 10.216 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.829 -6.181 11.556 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.880 -6.819 10.192 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.651 -5.219 10.069 1.00 0.63 H new ATOM 179 N GLU A 62 -7.361 -6.941 5.873 1.00 0.25 N ATOM 180 CA GLU A 62 -6.348 -7.472 5.002 1.00 0.29 C ATOM 181 C GLU A 62 -5.392 -6.394 4.541 1.00 0.23 C ATOM 182 O GLU A 62 -4.192 -6.493 4.749 1.00 0.20 O ATOM 183 CB GLU A 62 -7.034 -8.115 3.823 1.00 0.39 C ATOM 184 CG GLU A 62 -7.247 -9.591 4.023 1.00 0.63 C ATOM 185 CD GLU A 62 -8.207 -9.907 5.150 1.00 1.48 C ATOM 186 OE1 GLU A 62 -9.410 -9.594 5.019 1.00 1.98 O ATOM 187 OE2 GLU A 62 -7.765 -10.470 6.170 1.00 2.20 O ATOM 0 H GLU A 62 -8.313 -7.164 5.583 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.755 -8.209 5.543 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -7.996 -7.630 3.656 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -6.436 -7.954 2.926 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -7.627 -10.025 3.098 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -6.287 -10.066 4.228 1.00 0.63 H new ATOM 194 N ASN A 63 -5.946 -5.353 3.956 1.00 0.22 N ATOM 195 CA ASN A 63 -5.175 -4.270 3.384 1.00 0.19 C ATOM 196 C ASN A 63 -4.358 -3.546 4.433 1.00 0.15 C ATOM 197 O ASN A 63 -3.192 -3.239 4.199 1.00 0.16 O ATOM 198 CB ASN A 63 -6.105 -3.287 2.686 1.00 0.21 C ATOM 199 CG ASN A 63 -6.714 -3.862 1.428 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.138 -4.740 0.803 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.882 -3.369 1.049 1.00 0.27 N ATOM 0 H ASN A 63 -6.955 -5.234 3.863 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.482 -4.701 2.661 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.901 -2.996 3.371 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.551 -2.382 2.437 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.335 -3.722 0.206 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.329 -2.636 1.600 1.00 0.27 H new ATOM 208 N GLU A 64 -4.967 -3.249 5.578 1.00 0.15 N ATOM 209 CA GLU A 64 -4.231 -2.673 6.685 1.00 0.16 C ATOM 210 C GLU A 64 -3.032 -3.536 7.004 1.00 0.14 C ATOM 211 O GLU A 64 -1.896 -3.078 6.964 1.00 0.17 O ATOM 212 CB GLU A 64 -5.105 -2.552 7.927 1.00 0.21 C ATOM 213 CG GLU A 64 -5.962 -1.307 7.956 1.00 0.30 C ATOM 214 CD GLU A 64 -6.186 -0.824 9.370 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.362 -0.043 9.874 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.201 -1.218 9.982 1.00 1.75 O ATOM 0 H GLU A 64 -5.960 -3.398 5.757 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.907 -1.675 6.391 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.751 -3.427 7.991 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.467 -2.562 8.810 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -5.483 -0.520 7.373 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -6.923 -1.514 7.484 1.00 0.30 H new ATOM 223 N LYS A 65 -3.309 -4.800 7.279 1.00 0.13 N ATOM 224 CA LYS A 65 -2.300 -5.754 7.646 1.00 0.14 C ATOM 225 C LYS A 65 -1.238 -5.857 6.571 1.00 0.12 C ATOM 226 O LYS A 65 -0.057 -5.695 6.843 1.00 0.14 O ATOM 227 CB LYS A 65 -2.969 -7.102 7.836 1.00 0.20 C ATOM 228 CG LYS A 65 -2.332 -7.931 8.916 1.00 0.44 C ATOM 229 CD LYS A 65 -1.414 -9.001 8.349 1.00 0.86 C ATOM 230 CE LYS A 65 -2.192 -10.049 7.568 1.00 1.32 C ATOM 231 NZ LYS A 65 -1.303 -11.094 6.989 1.00 1.93 N ATOM 0 H LYS A 65 -4.252 -5.187 7.251 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.815 -5.433 8.568 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -4.021 -6.948 8.078 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -2.935 -7.653 6.896 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -1.764 -7.282 9.583 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -3.110 -8.402 9.517 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.672 -8.538 7.698 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -0.869 -9.482 9.161 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -2.924 -10.520 8.225 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -2.749 -9.563 6.767 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -1.876 -11.786 6.466 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -0.621 -10.650 6.342 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -0.790 -11.577 7.754 1.00 1.93 H new ATOM 245 N LEU A 66 -1.682 -6.125 5.352 1.00 0.11 N ATOM 246 CA LEU A 66 -0.791 -6.227 4.204 1.00 0.10 C ATOM 247 C LEU A 66 0.085 -4.987 4.102 1.00 0.08 C ATOM 248 O LEU A 66 1.294 -5.087 3.902 1.00 0.08 O ATOM 249 CB LEU A 66 -1.599 -6.404 2.916 1.00 0.10 C ATOM 250 CG LEU A 66 -2.410 -7.698 2.829 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.330 -7.676 1.617 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.483 -8.896 2.769 1.00 0.17 C ATOM 0 H LEU A 66 -2.666 -6.277 5.130 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.152 -7.099 4.341 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.280 -5.559 2.815 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.915 -6.365 2.068 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.027 -7.779 3.724 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.898 -8.606 1.574 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.018 -6.834 1.698 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.734 -7.572 0.710 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.073 -9.810 2.707 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.843 -8.817 1.890 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.865 -8.923 3.666 1.00 0.17 H new ATOM 264 N PHE A 67 -0.529 -3.823 4.262 1.00 0.07 N ATOM 265 CA PHE A 67 0.202 -2.573 4.268 1.00 0.06 C ATOM 266 C PHE A 67 1.300 -2.596 5.324 1.00 0.06 C ATOM 267 O PHE A 67 2.439 -2.251 5.042 1.00 0.07 O ATOM 268 CB PHE A 67 -0.740 -1.396 4.522 1.00 0.08 C ATOM 269 CG PHE A 67 -0.033 -0.083 4.494 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.742 0.250 3.405 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.128 0.803 5.550 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.419 1.455 3.361 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.540 2.008 5.513 1.00 0.12 C ATOM 274 CZ PHE A 67 1.315 2.333 4.416 1.00 0.09 C ATOM 0 H PHE A 67 -1.536 -3.723 4.390 1.00 0.07 H new ATOM 0 HA PHE A 67 0.661 -2.449 3.287 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.528 -1.397 3.769 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.224 -1.524 5.490 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.822 -0.438 2.576 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.730 0.550 6.410 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.026 1.706 2.504 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.458 2.697 6.340 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.839 3.277 4.386 1.00 0.09 H new ATOM 284 N GLU A 68 0.946 -3.002 6.535 1.00 0.08 N ATOM 285 CA GLU A 68 1.909 -3.085 7.628 1.00 0.09 C ATOM 286 C GLU A 68 2.991 -4.102 7.317 1.00 0.10 C ATOM 287 O GLU A 68 4.161 -3.878 7.602 1.00 0.12 O ATOM 288 CB GLU A 68 1.214 -3.471 8.934 1.00 0.14 C ATOM 289 CG GLU A 68 -0.076 -2.725 9.162 1.00 0.21 C ATOM 290 CD GLU A 68 -0.669 -2.966 10.530 1.00 0.87 C ATOM 291 OE1 GLU A 68 -1.403 -3.961 10.703 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.408 -2.159 11.445 1.00 1.19 O ATOM 0 H GLU A 68 -0.002 -3.280 6.787 1.00 0.08 H new ATOM 0 HA GLU A 68 2.365 -2.101 7.741 1.00 0.09 H new ATOM 0 HB2 GLU A 68 1.011 -4.542 8.927 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.889 -3.280 9.768 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.102 -1.657 9.033 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.799 -3.022 8.402 1.00 0.21 H new ATOM 299 N GLU A 69 2.596 -5.204 6.706 1.00 0.10 N ATOM 300 CA GLU A 69 3.525 -6.276 6.367 1.00 0.12 C ATOM 301 C GLU A 69 4.550 -5.778 5.365 1.00 0.11 C ATOM 302 O GLU A 69 5.722 -6.164 5.388 1.00 0.14 O ATOM 303 CB GLU A 69 2.755 -7.445 5.768 1.00 0.15 C ATOM 304 CG GLU A 69 1.729 -8.041 6.709 1.00 0.25 C ATOM 305 CD GLU A 69 2.353 -8.850 7.823 1.00 0.81 C ATOM 306 OE1 GLU A 69 2.592 -10.056 7.613 1.00 1.34 O ATOM 307 OE2 GLU A 69 2.594 -8.293 8.911 1.00 1.21 O ATOM 0 H GLU A 69 1.631 -5.384 6.431 1.00 0.10 H new ATOM 0 HA GLU A 69 4.039 -6.601 7.271 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.252 -7.111 4.860 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.461 -8.222 5.474 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.130 -7.239 7.141 1.00 0.25 H new ATOM 0 HG3 GLU A 69 1.049 -8.677 6.142 1.00 0.25 H new ATOM 314 N PHE A 70 4.078 -4.920 4.486 1.00 0.09 N ATOM 315 CA PHE A 70 4.888 -4.320 3.467 1.00 0.09 C ATOM 316 C PHE A 70 5.699 -3.179 4.079 1.00 0.08 C ATOM 317 O PHE A 70 6.886 -3.027 3.801 1.00 0.10 O ATOM 318 CB PHE A 70 3.966 -3.823 2.357 1.00 0.09 C ATOM 319 CG PHE A 70 4.667 -3.184 1.216 1.00 0.09 C ATOM 320 CD1 PHE A 70 4.997 -1.854 1.283 1.00 0.12 C ATOM 321 CD2 PHE A 70 4.979 -3.903 0.078 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.634 -1.237 0.234 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.620 -3.295 -0.980 1.00 0.13 C ATOM 324 CZ PHE A 70 5.950 -1.956 -0.901 1.00 0.13 C ATOM 0 H PHE A 70 3.103 -4.620 4.466 1.00 0.09 H new ATOM 0 HA PHE A 70 5.590 -5.039 3.045 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.382 -4.664 1.983 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.261 -3.108 2.781 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.754 -1.287 2.169 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.719 -4.949 0.017 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.888 -0.189 0.297 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.863 -3.863 -1.866 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.454 -1.473 -1.725 1.00 0.13 H new ATOM 334 N LEU A 71 5.031 -2.386 4.912 1.00 0.07 N ATOM 335 CA LEU A 71 5.651 -1.284 5.624 1.00 0.08 C ATOM 336 C LEU A 71 6.838 -1.736 6.468 1.00 0.08 C ATOM 337 O LEU A 71 7.935 -1.194 6.352 1.00 0.09 O ATOM 338 CB LEU A 71 4.621 -0.582 6.501 1.00 0.09 C ATOM 339 CG LEU A 71 4.063 0.696 5.898 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.565 1.643 6.964 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.118 1.371 5.072 1.00 0.10 C ATOM 0 H LEU A 71 4.036 -2.495 5.110 1.00 0.07 H new ATOM 0 HA LEU A 71 6.031 -0.587 4.877 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.797 -1.269 6.697 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.077 -0.349 7.463 1.00 0.09 H new ATOM 0 HG LEU A 71 3.216 0.427 5.267 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.173 2.546 6.495 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.774 1.161 7.539 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.387 1.907 7.629 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.713 2.287 4.642 1.00 0.10 H new ATOM 0 HD22 LEU A 71 5.974 1.614 5.702 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.435 0.703 4.271 1.00 0.10 H new ATOM 353 N GLU A 72 6.593 -2.709 7.337 1.00 0.08 N ATOM 354 CA GLU A 72 7.658 -3.319 8.144 1.00 0.11 C ATOM 355 C GLU A 72 8.773 -3.813 7.254 1.00 0.09 C ATOM 356 O GLU A 72 9.952 -3.603 7.532 1.00 0.12 O ATOM 357 CB GLU A 72 7.128 -4.488 8.962 1.00 0.19 C ATOM 358 CG GLU A 72 6.021 -4.079 9.887 1.00 0.26 C ATOM 359 CD GLU A 72 6.484 -3.093 10.938 1.00 0.59 C ATOM 360 OE1 GLU A 72 7.202 -3.502 11.870 1.00 0.89 O ATOM 361 OE2 GLU A 72 6.128 -1.900 10.840 1.00 1.13 O ATOM 0 H GLU A 72 5.665 -3.098 7.506 1.00 0.08 H new ATOM 0 HA GLU A 72 8.035 -2.553 8.822 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.767 -5.266 8.289 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.942 -4.921 9.543 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.212 -3.635 9.307 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.614 -4.964 10.377 1.00 0.26 H new ATOM 368 N LEU A 73 8.381 -4.490 6.188 1.00 0.10 N ATOM 369 CA LEU A 73 9.331 -4.929 5.170 1.00 0.11 C ATOM 370 C LEU A 73 10.172 -3.763 4.676 1.00 0.10 C ATOM 371 O LEU A 73 11.392 -3.871 4.587 1.00 0.12 O ATOM 372 CB LEU A 73 8.621 -5.559 3.975 1.00 0.14 C ATOM 373 CG LEU A 73 9.563 -5.997 2.855 1.00 0.20 C ATOM 374 CD1 LEU A 73 10.032 -7.420 3.069 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.910 -5.848 1.499 1.00 0.46 C ATOM 0 H LEU A 73 7.412 -4.749 6.002 1.00 0.10 H new ATOM 0 HA LEU A 73 9.972 -5.676 5.638 1.00 0.11 H new ATOM 0 HB2 LEU A 73 8.053 -6.424 4.317 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.903 -4.844 3.573 1.00 0.14 H new ATOM 0 HG LEU A 73 10.434 -5.342 2.881 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.701 -7.708 2.258 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.562 -7.490 4.019 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.171 -8.088 3.084 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.606 -6.168 0.723 1.00 0.46 H new ATOM 0 HD22 LEU A 73 8.012 -6.465 1.458 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.641 -4.804 1.337 1.00 0.46 H new ATOM 387 N CYS A 74 9.520 -2.656 4.349 1.00 0.09 N ATOM 388 CA CYS A 74 10.239 -1.475 3.895 1.00 0.10 C ATOM 389 C CYS A 74 11.223 -1.008 4.960 1.00 0.11 C ATOM 390 O CYS A 74 12.381 -0.769 4.657 1.00 0.14 O ATOM 391 CB CYS A 74 9.282 -0.350 3.514 1.00 0.10 C ATOM 392 SG CYS A 74 8.153 -0.789 2.179 1.00 0.11 S ATOM 0 H CYS A 74 8.506 -2.551 4.389 1.00 0.09 H new ATOM 0 HA CYS A 74 10.798 -1.748 3.000 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.701 -0.065 4.391 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.861 0.524 3.217 1.00 0.10 H new ATOM 0 HG CYS A 74 7.392 -1.772 2.560 1.00 0.11 H new ATOM 398 N LYS A 75 10.786 -0.954 6.220 1.00 0.11 N ATOM 399 CA LYS A 75 11.668 -0.572 7.322 1.00 0.12 C ATOM 400 C LYS A 75 12.909 -1.463 7.370 1.00 0.13 C ATOM 401 O LYS A 75 13.944 -1.083 7.921 1.00 0.16 O ATOM 402 CB LYS A 75 10.919 -0.671 8.647 1.00 0.13 C ATOM 403 CG LYS A 75 9.754 0.278 8.756 1.00 0.18 C ATOM 404 CD LYS A 75 8.942 -0.015 9.995 1.00 0.20 C ATOM 405 CE LYS A 75 7.734 0.889 10.080 1.00 0.30 C ATOM 406 NZ LYS A 75 6.898 0.601 11.271 1.00 0.32 N ATOM 0 H LYS A 75 9.829 -1.169 6.501 1.00 0.11 H new ATOM 0 HA LYS A 75 11.988 0.457 7.156 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.558 -1.692 8.775 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.614 -0.474 9.463 1.00 0.13 H new ATOM 0 HG2 LYS A 75 10.117 1.305 8.787 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.123 0.190 7.872 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.621 -1.057 9.985 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.563 0.119 10.881 1.00 0.20 H new ATOM 0 HE2 LYS A 75 8.062 1.928 10.112 1.00 0.30 H new ATOM 0 HE3 LYS A 75 7.132 0.772 9.179 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 5.957 1.025 11.145 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.801 -0.428 11.387 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.349 1.003 12.117 1.00 0.32 H new ATOM 420 N MET A 76 12.804 -2.637 6.763 1.00 0.12 N ATOM 421 CA MET A 76 13.887 -3.592 6.741 1.00 0.13 C ATOM 422 C MET A 76 14.798 -3.365 5.536 1.00 0.14 C ATOM 423 O MET A 76 16.021 -3.440 5.658 1.00 0.16 O ATOM 424 CB MET A 76 13.322 -5.014 6.717 1.00 0.14 C ATOM 425 CG MET A 76 12.554 -5.377 7.975 1.00 0.15 C ATOM 426 SD MET A 76 12.252 -7.148 8.125 1.00 0.21 S ATOM 427 CE MET A 76 11.145 -7.415 6.749 1.00 0.40 C ATOM 0 H MET A 76 11.964 -2.948 6.275 1.00 0.12 H new ATOM 0 HA MET A 76 14.484 -3.456 7.643 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.664 -5.121 5.855 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.141 -5.721 6.583 1.00 0.14 H new ATOM 0 HG2 MET A 76 13.111 -5.033 8.847 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.600 -4.849 7.978 1.00 0.15 H new ATOM 0 HE1 MET A 76 11.020 -8.485 6.585 1.00 0.40 H new ATOM 0 HE2 MET A 76 10.177 -6.966 6.969 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.562 -6.957 5.852 1.00 0.40 H new ATOM 437 N GLN A 77 14.214 -3.065 4.377 1.00 0.14 N ATOM 438 CA GLN A 77 14.976 -2.937 3.149 1.00 0.15 C ATOM 439 C GLN A 77 15.416 -1.490 2.897 1.00 0.16 C ATOM 440 O GLN A 77 16.440 -1.250 2.258 1.00 0.22 O ATOM 441 CB GLN A 77 14.126 -3.380 1.962 1.00 0.19 C ATOM 442 CG GLN A 77 13.148 -4.498 2.231 1.00 0.21 C ATOM 443 CD GLN A 77 13.801 -5.843 2.414 1.00 0.38 C ATOM 444 OE1 GLN A 77 14.877 -6.123 1.887 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.132 -6.680 3.163 1.00 0.25 N ATOM 0 H GLN A 77 13.212 -2.907 4.269 1.00 0.14 H new ATOM 0 HA GLN A 77 15.860 -3.565 3.256 1.00 0.15 H new ATOM 0 HB2 GLN A 77 13.570 -2.517 1.596 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.793 -3.693 1.159 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.573 -4.258 3.126 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.441 -4.557 1.404 1.00 0.21 H new ATOM 0 HE21 GLN A 77 12.244 -6.397 3.576 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.498 -7.616 3.334 1.00 0.25 H new ATOM 454 N THR A 78 14.657 -0.528 3.416 1.00 0.17 N ATOM 455 CA THR A 78 14.854 0.867 3.051 1.00 0.22 C ATOM 456 C THR A 78 15.533 1.619 4.181 1.00 0.30 C ATOM 457 O THR A 78 15.069 2.674 4.600 1.00 0.32 O ATOM 458 CB THR A 78 13.527 1.599 2.699 1.00 0.17 C ATOM 459 OG1 THR A 78 12.683 1.697 3.850 1.00 0.14 O ATOM 460 CG2 THR A 78 12.766 0.893 1.591 1.00 0.22 C ATOM 0 H THR A 78 13.905 -0.690 4.086 1.00 0.17 H new ATOM 0 HA THR A 78 15.481 0.858 2.159 1.00 0.22 H new ATOM 0 HB THR A 78 13.801 2.596 2.353 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.737 0.866 4.367 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.846 1.438 1.377 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.383 0.855 0.693 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.522 -0.121 1.906 1.00 0.22 H new ATOM 468 N ALA A 79 16.611 1.065 4.709 1.00 0.38 N ATOM 469 CA ALA A 79 17.396 1.746 5.726 1.00 0.50 C ATOM 470 C ALA A 79 17.861 3.122 5.263 1.00 0.52 C ATOM 471 O ALA A 79 17.976 4.049 6.063 1.00 0.55 O ATOM 472 CB ALA A 79 18.590 0.897 6.088 1.00 0.67 C ATOM 0 H ALA A 79 16.964 0.144 4.450 1.00 0.38 H new ATOM 0 HA ALA A 79 16.760 1.893 6.599 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.180 1.405 6.850 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.250 -0.064 6.474 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.204 0.736 5.202 1.00 0.67 H new ATOM 478 N ASP A 80 18.124 3.250 3.969 1.00 0.53 N ATOM 479 CA ASP A 80 18.563 4.522 3.411 1.00 0.57 C ATOM 480 C ASP A 80 17.384 5.472 3.296 1.00 0.52 C ATOM 481 O ASP A 80 17.547 6.688 3.211 1.00 0.57 O ATOM 482 CB ASP A 80 19.202 4.320 2.035 1.00 0.65 C ATOM 483 CG ASP A 80 19.881 5.577 1.515 1.00 1.21 C ATOM 484 OD1 ASP A 80 21.033 5.843 1.911 1.00 1.94 O ATOM 485 OD2 ASP A 80 19.275 6.296 0.691 1.00 1.46 O ATOM 0 H ASP A 80 18.042 2.494 3.290 1.00 0.53 H new ATOM 0 HA ASP A 80 19.309 4.951 4.080 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.934 3.514 2.093 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.436 4.005 1.326 1.00 0.65 H new ATOM 490 N HIS A 81 16.190 4.906 3.323 1.00 0.43 N ATOM 491 CA HIS A 81 14.971 5.692 3.191 1.00 0.38 C ATOM 492 C HIS A 81 13.928 5.282 4.212 1.00 0.29 C ATOM 493 O HIS A 81 12.893 4.720 3.862 1.00 0.23 O ATOM 494 CB HIS A 81 14.394 5.581 1.780 1.00 0.41 C ATOM 495 CG HIS A 81 15.181 6.358 0.767 1.00 0.61 C ATOM 496 ND1 HIS A 81 15.005 7.710 0.544 1.00 0.99 N ATOM 497 CD2 HIS A 81 16.150 5.963 -0.091 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.825 8.105 -0.411 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.530 7.067 -0.816 1.00 0.86 N ATOM 0 H HIS A 81 16.036 3.904 3.435 1.00 0.43 H new ATOM 0 HA HIS A 81 15.240 6.732 3.378 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.367 4.532 1.485 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.364 5.938 1.785 1.00 0.41 H new ATOM 0 HD1 HIS A 81 14.345 8.309 1.040 1.00 0.99 H new ATOM 0 HD2 HIS A 81 16.551 4.965 -0.188 1.00 0.70 H new ATOM 0 HE1 HIS A 81 15.905 9.111 -0.797 1.00 1.08 H new ATOM 508 N PRO A 82 14.178 5.569 5.496 1.00 0.32 N ATOM 509 CA PRO A 82 13.206 5.319 6.553 1.00 0.29 C ATOM 510 C PRO A 82 12.026 6.273 6.442 1.00 0.26 C ATOM 511 O PRO A 82 11.034 6.137 7.142 1.00 0.29 O ATOM 512 CB PRO A 82 13.989 5.569 7.835 1.00 0.38 C ATOM 513 CG PRO A 82 15.111 6.463 7.451 1.00 0.44 C ATOM 514 CD PRO A 82 15.427 6.150 6.019 1.00 0.41 C ATOM 0 HA PRO A 82 12.783 4.315 6.507 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.360 6.034 8.594 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.359 4.634 8.257 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.831 7.510 7.568 1.00 0.44 H new ATOM 0 HG3 PRO A 82 15.979 6.292 8.087 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.711 7.046 5.468 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.258 5.449 5.938 1.00 0.41 H new ATOM 522 N GLU A 83 12.166 7.240 5.542 1.00 0.23 N ATOM 523 CA GLU A 83 11.109 8.192 5.229 1.00 0.21 C ATOM 524 C GLU A 83 10.046 7.534 4.354 1.00 0.17 C ATOM 525 O GLU A 83 8.913 8.003 4.269 1.00 0.18 O ATOM 526 CB GLU A 83 11.708 9.376 4.480 1.00 0.28 C ATOM 527 CG GLU A 83 11.862 9.087 3.002 1.00 0.46 C ATOM 528 CD GLU A 83 12.695 10.104 2.258 1.00 0.55 C ATOM 529 OE1 GLU A 83 12.190 11.209 1.977 1.00 1.01 O ATOM 530 OE2 GLU A 83 13.864 9.790 1.943 1.00 0.95 O ATOM 0 H GLU A 83 13.022 7.385 5.006 1.00 0.23 H new ATOM 0 HA GLU A 83 10.648 8.528 6.158 1.00 0.21 H new ATOM 0 HB2 GLU A 83 11.072 10.251 4.615 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.681 9.621 4.906 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.315 8.103 2.880 1.00 0.46 H new ATOM 0 HG3 GLU A 83 10.873 9.041 2.547 1.00 0.46 H new ATOM 537 N VAL A 84 10.437 6.451 3.702 1.00 0.15 N ATOM 538 CA VAL A 84 9.593 5.766 2.749 1.00 0.14 C ATOM 539 C VAL A 84 8.361 5.185 3.423 1.00 0.11 C ATOM 540 O VAL A 84 7.277 5.190 2.855 1.00 0.11 O ATOM 541 CB VAL A 84 10.418 4.692 2.010 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.621 3.468 1.677 1.00 0.16 C ATOM 543 CG2 VAL A 84 11.019 5.276 0.753 1.00 0.21 C ATOM 0 H VAL A 84 11.355 6.024 3.823 1.00 0.15 H new ATOM 0 HA VAL A 84 9.229 6.481 2.011 1.00 0.14 H new ATOM 0 HB VAL A 84 11.209 4.378 2.691 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.256 2.750 1.158 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.242 3.020 2.595 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.784 3.742 1.035 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.600 4.511 0.238 1.00 0.21 H new ATOM 0 HG22 VAL A 84 10.222 5.629 0.098 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.670 6.110 1.015 1.00 0.21 H new ATOM 553 N VAL A 85 8.532 4.714 4.639 1.00 0.09 N ATOM 554 CA VAL A 85 7.420 4.218 5.416 1.00 0.09 C ATOM 555 C VAL A 85 6.426 5.322 5.778 1.00 0.10 C ATOM 556 O VAL A 85 5.250 5.182 5.511 1.00 0.10 O ATOM 557 CB VAL A 85 7.919 3.499 6.664 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.776 3.247 7.629 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.609 2.218 6.240 1.00 0.11 C ATOM 0 H VAL A 85 9.435 4.665 5.111 1.00 0.09 H new ATOM 0 HA VAL A 85 6.882 3.503 4.793 1.00 0.09 H new ATOM 0 HB VAL A 85 8.639 4.120 7.196 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.153 2.733 8.513 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.332 4.198 7.924 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.020 2.629 7.144 1.00 0.13 H new ATOM 0 HG21 VAL A 85 8.972 1.691 7.122 1.00 0.11 H new ATOM 0 HG22 VAL A 85 7.902 1.584 5.704 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.449 2.456 5.588 1.00 0.11 H new ATOM 569 N PRO A 86 6.870 6.416 6.412 1.00 0.12 N ATOM 570 CA PRO A 86 6.030 7.590 6.637 1.00 0.14 C ATOM 571 C PRO A 86 5.360 8.075 5.349 1.00 0.14 C ATOM 572 O PRO A 86 4.197 8.462 5.362 1.00 0.18 O ATOM 573 CB PRO A 86 6.982 8.661 7.161 1.00 0.18 C ATOM 574 CG PRO A 86 8.290 7.993 7.414 1.00 0.18 C ATOM 575 CD PRO A 86 8.186 6.548 7.020 1.00 0.14 C ATOM 0 HA PRO A 86 5.221 7.361 7.330 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.094 9.466 6.435 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.594 9.108 8.076 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.079 8.483 6.844 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.558 8.078 8.467 1.00 0.18 H new ATOM 0 HD2 PRO A 86 8.974 6.273 6.319 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.288 5.895 7.886 1.00 0.14 H new ATOM 583 N PHE A 87 6.104 8.033 4.246 1.00 0.13 N ATOM 584 CA PHE A 87 5.611 8.410 2.929 1.00 0.14 C ATOM 585 C PHE A 87 4.567 7.404 2.454 1.00 0.12 C ATOM 586 O PHE A 87 3.581 7.763 1.813 1.00 0.12 O ATOM 587 CB PHE A 87 6.793 8.449 1.959 1.00 0.18 C ATOM 588 CG PHE A 87 6.569 9.265 0.736 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.717 8.809 -0.223 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.214 10.473 0.547 1.00 0.85 C ATOM 591 CE1 PHE A 87 5.488 9.531 -1.375 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.997 11.211 -0.600 1.00 1.01 C ATOM 593 CZ PHE A 87 6.129 10.739 -1.565 1.00 0.69 C ATOM 0 H PHE A 87 7.079 7.732 4.245 1.00 0.13 H new ATOM 0 HA PHE A 87 5.141 9.392 2.974 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.664 8.840 2.485 1.00 0.18 H new ATOM 0 HB3 PHE A 87 7.033 7.429 1.659 1.00 0.18 H new ATOM 0 HD1 PHE A 87 5.212 7.865 -0.079 1.00 0.35 H new ATOM 0 HD2 PHE A 87 7.893 10.842 1.302 1.00 0.85 H new ATOM 0 HE1 PHE A 87 4.810 9.153 -2.126 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.504 12.154 -0.742 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.953 11.312 -2.463 1.00 0.69 H new ATOM 603 N LEU A 88 4.774 6.156 2.844 1.00 0.10 N ATOM 604 CA LEU A 88 3.887 5.068 2.494 1.00 0.09 C ATOM 605 C LEU A 88 2.643 5.186 3.324 1.00 0.08 C ATOM 606 O LEU A 88 1.517 5.161 2.823 1.00 0.09 O ATOM 607 CB LEU A 88 4.559 3.740 2.811 1.00 0.09 C ATOM 608 CG LEU A 88 5.028 2.946 1.610 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.848 1.761 2.055 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.843 2.477 0.802 1.00 0.10 C ATOM 0 H LEU A 88 5.569 5.872 3.416 1.00 0.10 H new ATOM 0 HA LEU A 88 3.648 5.112 1.431 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.416 3.931 3.456 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.862 3.126 3.381 1.00 0.09 H new ATOM 0 HG LEU A 88 5.649 3.590 0.988 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.179 1.199 1.182 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.717 2.109 2.613 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.241 1.118 2.692 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.192 1.907 -0.059 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.207 1.845 1.422 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.272 3.340 0.459 1.00 0.10 H new ATOM 622 N TYR A 89 2.887 5.335 4.614 1.00 0.08 N ATOM 623 CA TYR A 89 1.865 5.431 5.606 1.00 0.09 C ATOM 624 C TYR A 89 0.943 6.575 5.275 1.00 0.09 C ATOM 625 O TYR A 89 -0.263 6.429 5.245 1.00 0.11 O ATOM 626 CB TYR A 89 2.522 5.701 6.955 1.00 0.10 C ATOM 627 CG TYR A 89 2.144 4.711 8.001 1.00 0.13 C ATOM 628 CD1 TYR A 89 0.849 4.288 8.089 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.073 4.204 8.888 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.457 3.381 9.030 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.706 3.288 9.842 1.00 0.20 C ATOM 632 CZ TYR A 89 1.389 2.872 9.914 1.00 0.22 C ATOM 633 OH TYR A 89 1.004 1.963 10.869 1.00 0.27 O ATOM 0 H TYR A 89 3.831 5.393 4.997 1.00 0.08 H new ATOM 0 HA TYR A 89 1.294 4.503 5.638 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.605 5.694 6.832 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.246 6.700 7.293 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.118 4.680 7.398 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.100 4.532 8.830 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.574 3.063 9.083 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.439 2.895 10.531 1.00 0.20 H new ATOM 0 HH TYR A 89 1.781 1.705 11.408 1.00 0.27 H new ATOM 643 N ASN A 90 1.562 7.706 5.016 1.00 0.09 N ATOM 644 CA ASN A 90 0.889 8.917 4.596 1.00 0.09 C ATOM 645 C ASN A 90 -0.053 8.658 3.443 1.00 0.09 C ATOM 646 O ASN A 90 -1.247 8.908 3.554 1.00 0.10 O ATOM 647 CB ASN A 90 1.962 9.897 4.178 1.00 0.11 C ATOM 648 CG ASN A 90 1.454 11.065 3.396 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.454 11.690 3.736 1.00 0.43 O ATOM 650 ND2 ASN A 90 2.134 11.322 2.306 1.00 0.40 N ATOM 0 H ASN A 90 2.573 7.812 5.094 1.00 0.09 H new ATOM 0 HA ASN A 90 0.287 9.310 5.415 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.470 10.264 5.070 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.707 9.370 3.581 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.839 12.077 1.687 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.958 10.767 2.076 1.00 0.40 H new ATOM 657 N ARG A 91 0.491 8.149 2.347 1.00 0.08 N ATOM 658 CA ARG A 91 -0.300 7.854 1.159 1.00 0.10 C ATOM 659 C ARG A 91 -1.506 6.991 1.507 1.00 0.09 C ATOM 660 O ARG A 91 -2.603 7.208 1.003 1.00 0.11 O ATOM 661 CB ARG A 91 0.570 7.155 0.116 1.00 0.13 C ATOM 662 CG ARG A 91 1.637 8.057 -0.460 1.00 0.16 C ATOM 663 CD ARG A 91 1.010 9.276 -1.097 1.00 0.29 C ATOM 664 NE ARG A 91 1.889 10.448 -1.039 1.00 0.88 N ATOM 665 CZ ARG A 91 2.340 11.106 -2.104 1.00 1.05 C ATOM 666 NH1 ARG A 91 2.105 10.645 -3.325 1.00 1.35 N ATOM 667 NH2 ARG A 91 3.066 12.206 -1.947 1.00 1.64 N ATOM 0 H ARG A 91 1.483 7.930 2.255 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.667 8.794 0.746 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.044 6.284 0.570 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.064 6.789 -0.692 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.326 8.364 0.327 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.222 7.512 -1.201 1.00 0.16 H new ATOM 0 HD2 ARG A 91 0.769 9.056 -2.137 1.00 0.29 H new ATOM 0 HD3 ARG A 91 0.071 9.504 -0.593 1.00 0.29 H new ATOM 0 HE ARG A 91 2.175 10.782 -0.119 1.00 0.88 H new ATOM 0 HH11 ARG A 91 1.576 9.782 -3.451 1.00 1.35 H new ATOM 0 HH12 ARG A 91 2.453 11.153 -4.138 1.00 1.35 H new ATOM 0 HH21 ARG A 91 3.278 12.547 -1.010 1.00 1.64 H new ATOM 0 HH22 ARG A 91 3.411 12.710 -2.764 1.00 1.64 H new ATOM 681 N GLN A 92 -1.284 6.026 2.378 1.00 0.09 N ATOM 682 CA GLN A 92 -2.325 5.106 2.797 1.00 0.12 C ATOM 683 C GLN A 92 -3.299 5.774 3.772 1.00 0.11 C ATOM 684 O GLN A 92 -4.511 5.577 3.696 1.00 0.13 O ATOM 685 CB GLN A 92 -1.660 3.892 3.429 1.00 0.18 C ATOM 686 CG GLN A 92 -2.552 2.682 3.510 1.00 0.35 C ATOM 687 CD GLN A 92 -3.120 2.463 4.892 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.331 3.403 5.651 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.356 1.212 5.223 1.00 0.36 N ATOM 0 H GLN A 92 -0.378 5.857 2.815 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.912 4.797 1.932 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.770 3.637 2.854 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.327 4.154 4.433 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -3.371 2.792 2.799 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.987 1.799 3.211 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.164 0.463 4.557 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -3.731 0.991 6.145 1.00 0.36 H new ATOM 698 N GLN A 93 -2.753 6.572 4.675 1.00 0.12 N ATOM 699 CA GLN A 93 -3.539 7.298 5.667 1.00 0.14 C ATOM 700 C GLN A 93 -4.452 8.324 5.000 1.00 0.16 C ATOM 701 O GLN A 93 -5.575 8.565 5.449 1.00 0.20 O ATOM 702 CB GLN A 93 -2.604 7.997 6.665 1.00 0.15 C ATOM 703 CG GLN A 93 -1.955 7.061 7.670 1.00 0.15 C ATOM 704 CD GLN A 93 -2.958 6.215 8.424 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.481 6.623 9.460 1.00 0.28 O ATOM 706 NE2 GLN A 93 -3.214 5.024 7.920 1.00 0.22 N ATOM 0 H GLN A 93 -1.749 6.737 4.743 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.165 6.581 6.199 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.822 8.516 6.111 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.169 8.756 7.205 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.255 6.407 7.150 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.375 7.648 8.382 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.757 4.726 7.058 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.869 4.400 8.392 1.00 0.22 H new ATOM 715 N ARG A 94 -3.960 8.926 3.927 1.00 0.14 N ATOM 716 CA ARG A 94 -4.722 9.915 3.178 1.00 0.15 C ATOM 717 C ARG A 94 -5.567 9.250 2.097 1.00 0.14 C ATOM 718 O ARG A 94 -6.354 9.905 1.407 1.00 0.19 O ATOM 719 CB ARG A 94 -3.766 10.926 2.568 1.00 0.21 C ATOM 720 CG ARG A 94 -2.838 10.331 1.532 1.00 0.76 C ATOM 721 CD ARG A 94 -1.561 11.142 1.401 1.00 0.64 C ATOM 722 NE ARG A 94 -1.814 12.463 0.822 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.523 13.624 1.412 1.00 1.04 C ATOM 724 NH1 ARG A 94 -0.992 13.655 2.627 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.762 14.764 0.780 1.00 1.40 N ATOM 0 H ARG A 94 -3.028 8.745 3.553 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.404 10.428 3.857 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.343 11.729 2.109 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.170 11.376 3.362 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.593 9.305 1.807 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.345 10.290 0.568 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.101 11.257 2.382 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -0.849 10.602 0.777 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.245 12.498 -0.102 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -0.801 12.784 3.122 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -0.775 14.550 3.066 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.168 14.753 -0.156 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.540 15.652 1.229 1.00 1.40 H new ATOM 739 N ALA A 95 -5.402 7.942 1.967 1.00 0.12 N ATOM 740 CA ALA A 95 -6.154 7.164 0.992 1.00 0.12 C ATOM 741 C ALA A 95 -7.582 6.964 1.468 1.00 0.13 C ATOM 742 O ALA A 95 -7.919 7.267 2.614 1.00 0.17 O ATOM 743 CB ALA A 95 -5.489 5.815 0.733 1.00 0.13 C ATOM 0 H ALA A 95 -4.750 7.394 2.528 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.167 7.719 0.054 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.072 5.256 0.001 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.481 5.974 0.349 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.438 5.250 1.664 1.00 0.13 H new ATOM 749 N HIS A 96 -8.421 6.472 0.578 1.00 0.12 N ATOM 750 CA HIS A 96 -9.833 6.304 0.864 1.00 0.13 C ATOM 751 C HIS A 96 -10.066 5.065 1.703 1.00 0.13 C ATOM 752 O HIS A 96 -9.660 3.977 1.322 1.00 0.12 O ATOM 753 CB HIS A 96 -10.610 6.182 -0.442 1.00 0.14 C ATOM 754 CG HIS A 96 -12.045 6.570 -0.310 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.864 5.963 0.603 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.743 7.519 -0.972 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.035 6.550 0.482 1.00 0.23 C ATOM 758 NE2 HIS A 96 -14.012 7.502 -0.458 1.00 0.25 N ATOM 0 H HIS A 96 -8.146 6.179 -0.359 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.178 7.175 1.421 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.138 6.810 -1.198 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.550 5.154 -0.799 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.372 8.165 -1.754 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.906 6.295 1.068 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.790 8.100 -0.738 1.00 0.25 H new ATOM 766 N SER A 97 -10.713 5.249 2.851 1.00 0.16 N ATOM 767 CA SER A 97 -11.086 4.148 3.732 1.00 0.20 C ATOM 768 C SER A 97 -11.835 3.042 2.985 1.00 0.18 C ATOM 769 O SER A 97 -11.646 1.860 3.272 1.00 0.18 O ATOM 770 CB SER A 97 -11.938 4.684 4.886 1.00 0.29 C ATOM 771 OG SER A 97 -13.002 5.490 4.402 1.00 1.32 O ATOM 0 H SER A 97 -10.993 6.167 3.196 1.00 0.16 H new ATOM 0 HA SER A 97 -10.171 3.705 4.124 1.00 0.20 H new ATOM 0 HB2 SER A 97 -12.341 3.851 5.462 1.00 0.29 H new ATOM 0 HB3 SER A 97 -11.314 5.268 5.563 1.00 0.29 H new ATOM 0 HG SER A 97 -13.533 5.819 5.157 1.00 1.32 H new ATOM 777 N LEU A 98 -12.694 3.423 2.044 1.00 0.18 N ATOM 778 CA LEU A 98 -13.360 2.459 1.173 1.00 0.18 C ATOM 779 C LEU A 98 -12.357 1.696 0.337 1.00 0.15 C ATOM 780 O LEU A 98 -12.462 0.488 0.168 1.00 0.18 O ATOM 781 CB LEU A 98 -14.316 3.164 0.233 1.00 0.21 C ATOM 782 CG LEU A 98 -15.660 3.554 0.829 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.553 4.106 -0.260 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.323 2.367 1.510 1.00 0.61 C ATOM 0 H LEU A 98 -12.946 4.395 1.865 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.904 1.767 1.816 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.830 4.065 -0.141 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.494 2.518 -0.626 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.497 4.321 1.586 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.516 4.386 0.166 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.084 4.984 -0.705 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.703 3.347 -1.028 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.282 2.676 1.927 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.483 1.572 0.781 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.680 2.001 2.311 1.00 0.61 H new ATOM 796 N PHE A 99 -11.387 2.424 -0.175 1.00 0.12 N ATOM 797 CA PHE A 99 -10.340 1.846 -1.003 1.00 0.11 C ATOM 798 C PHE A 99 -9.443 0.948 -0.156 1.00 0.11 C ATOM 799 O PHE A 99 -9.070 -0.148 -0.568 1.00 0.12 O ATOM 800 CB PHE A 99 -9.510 2.942 -1.673 1.00 0.12 C ATOM 801 CG PHE A 99 -8.259 2.429 -2.318 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.333 1.546 -3.373 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.012 2.829 -1.863 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.186 1.063 -3.973 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.863 2.352 -2.457 1.00 0.20 C ATOM 806 CZ PHE A 99 -5.949 1.468 -3.512 1.00 0.18 C ATOM 0 H PHE A 99 -11.299 3.430 -0.032 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.808 1.247 -1.785 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.120 3.441 -2.426 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.245 3.693 -0.929 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.299 1.228 -3.735 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.940 3.520 -1.036 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.257 0.371 -4.799 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.896 2.670 -2.096 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.050 1.093 -3.977 1.00 0.18 H new ATOM 816 N LEU A 100 -9.112 1.425 1.030 1.00 0.12 N ATOM 817 CA LEU A 100 -8.335 0.656 1.985 1.00 0.14 C ATOM 818 C LEU A 100 -9.089 -0.596 2.410 1.00 0.16 C ATOM 819 O LEU A 100 -8.507 -1.532 2.941 1.00 0.21 O ATOM 820 CB LEU A 100 -8.032 1.515 3.205 1.00 0.17 C ATOM 821 CG LEU A 100 -7.352 2.837 2.894 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.511 3.795 4.057 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.892 2.601 2.587 1.00 0.22 C ATOM 0 H LEU A 100 -9.374 2.355 1.358 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.402 0.352 1.511 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.965 1.716 3.732 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.398 0.946 3.885 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.823 3.286 2.019 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -7.019 4.739 3.821 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.571 3.974 4.239 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -7.058 3.363 4.949 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.409 3.552 2.365 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.409 2.141 3.449 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.804 1.939 1.726 1.00 0.22 H new ATOM 835 N ALA A 101 -10.394 -0.603 2.198 1.00 0.16 N ATOM 836 CA ALA A 101 -11.197 -1.789 2.458 1.00 0.19 C ATOM 837 C ALA A 101 -11.652 -2.453 1.162 1.00 0.21 C ATOM 838 O ALA A 101 -12.414 -3.422 1.189 1.00 0.37 O ATOM 839 CB ALA A 101 -12.401 -1.430 3.313 1.00 0.23 C ATOM 0 H ALA A 101 -10.921 0.197 1.847 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.573 -2.502 2.997 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -12.994 -2.325 3.501 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -12.062 -1.014 4.262 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -13.012 -0.693 2.791 1.00 0.23 H new ATOM 845 N SER A 102 -11.160 -1.962 0.031 1.00 0.13 N ATOM 846 CA SER A 102 -11.623 -2.445 -1.259 1.00 0.15 C ATOM 847 C SER A 102 -10.690 -3.512 -1.806 1.00 0.17 C ATOM 848 O SER A 102 -9.527 -3.619 -1.397 1.00 0.25 O ATOM 849 CB SER A 102 -11.761 -1.289 -2.255 1.00 0.18 C ATOM 850 OG SER A 102 -10.495 -0.807 -2.681 1.00 1.40 O ATOM 0 H SER A 102 -10.446 -1.235 -0.017 1.00 0.13 H new ATOM 0 HA SER A 102 -12.606 -2.894 -1.116 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.334 -1.621 -3.121 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.323 -0.477 -1.794 1.00 0.18 H new ATOM 0 HG SER A 102 -9.850 -0.890 -1.948 1.00 1.40 H new ATOM 856 N ALA A 103 -11.224 -4.303 -2.721 1.00 0.20 N ATOM 857 CA ALA A 103 -10.489 -5.388 -3.340 1.00 0.21 C ATOM 858 C ALA A 103 -9.262 -4.888 -4.088 1.00 0.18 C ATOM 859 O ALA A 103 -8.236 -5.560 -4.115 1.00 0.19 O ATOM 860 CB ALA A 103 -11.400 -6.141 -4.284 1.00 0.27 C ATOM 0 H ALA A 103 -12.183 -4.209 -3.055 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.141 -6.053 -2.550 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.847 -6.957 -4.750 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.245 -6.546 -3.728 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.765 -5.463 -5.056 1.00 0.27 H new ATOM 866 N GLU A 104 -9.384 -3.718 -4.706 1.00 0.17 N ATOM 867 CA GLU A 104 -8.293 -3.157 -5.497 1.00 0.17 C ATOM 868 C GLU A 104 -7.014 -3.035 -4.680 1.00 0.14 C ATOM 869 O GLU A 104 -5.947 -3.449 -5.129 1.00 0.14 O ATOM 870 CB GLU A 104 -8.657 -1.789 -6.043 1.00 0.22 C ATOM 871 CG GLU A 104 -7.750 -1.345 -7.179 1.00 0.30 C ATOM 872 CD GLU A 104 -7.912 0.117 -7.545 1.00 0.97 C ATOM 873 OE1 GLU A 104 -8.848 0.765 -7.023 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.113 0.629 -8.356 1.00 1.70 O ATOM 0 H GLU A 104 -10.224 -3.141 -4.675 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.123 -3.845 -6.325 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.689 -1.806 -6.394 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.607 -1.057 -5.237 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.713 -1.528 -6.898 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -7.955 -1.956 -8.058 1.00 0.30 H new ATOM 881 N PHE A 105 -7.116 -2.478 -3.475 1.00 0.13 N ATOM 882 CA PHE A 105 -5.944 -2.291 -2.638 1.00 0.13 C ATOM 883 C PHE A 105 -5.360 -3.643 -2.268 1.00 0.12 C ATOM 884 O PHE A 105 -4.149 -3.803 -2.231 1.00 0.13 O ATOM 885 CB PHE A 105 -6.287 -1.491 -1.375 1.00 0.13 C ATOM 886 CG PHE A 105 -5.071 -1.011 -0.630 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.911 -0.718 -1.322 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.083 -0.850 0.750 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.784 -0.275 -0.662 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.954 -0.405 1.415 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.806 -0.116 0.705 1.00 0.14 C ATOM 0 H PHE A 105 -7.991 -2.153 -3.064 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.204 -1.721 -3.200 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.898 -0.632 -1.651 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.890 -2.111 -0.712 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.887 -0.838 -2.395 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.980 -1.074 1.308 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.885 -0.053 -1.217 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.971 -0.284 2.488 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.925 0.235 1.222 1.00 0.14 H new ATOM 901 N CYS A 106 -6.232 -4.621 -2.043 1.00 0.13 N ATOM 902 CA CYS A 106 -5.794 -5.977 -1.732 1.00 0.15 C ATOM 903 C CYS A 106 -5.009 -6.540 -2.900 1.00 0.15 C ATOM 904 O CYS A 106 -3.937 -7.116 -2.734 1.00 0.16 O ATOM 905 CB CYS A 106 -6.990 -6.885 -1.437 1.00 0.19 C ATOM 906 SG CYS A 106 -6.523 -8.611 -1.164 1.00 0.29 S ATOM 0 H CYS A 106 -7.244 -4.500 -2.070 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.162 -5.938 -0.845 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.512 -6.513 -0.556 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.692 -6.832 -2.269 1.00 0.19 H new ATOM 0 HG CYS A 106 -7.588 -9.315 -0.919 1.00 0.29 H new ATOM 912 N ASN A 107 -5.578 -6.361 -4.077 1.00 0.14 N ATOM 913 CA ASN A 107 -4.963 -6.758 -5.336 1.00 0.16 C ATOM 914 C ASN A 107 -3.558 -6.200 -5.428 1.00 0.15 C ATOM 915 O ASN A 107 -2.580 -6.933 -5.543 1.00 0.17 O ATOM 916 CB ASN A 107 -5.788 -6.193 -6.490 1.00 0.18 C ATOM 917 CG ASN A 107 -6.065 -7.203 -7.584 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.270 -8.109 -7.830 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.200 -7.048 -8.253 1.00 0.34 N ATOM 0 H ASN A 107 -6.495 -5.929 -4.190 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.925 -7.846 -5.388 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.736 -5.821 -6.101 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.262 -5.340 -6.919 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.442 -7.694 -9.004 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.831 -6.282 -8.016 1.00 0.34 H new ATOM 926 N ILE A 108 -3.490 -4.890 -5.311 1.00 0.13 N ATOM 927 CA ILE A 108 -2.259 -4.139 -5.425 1.00 0.13 C ATOM 928 C ILE A 108 -1.270 -4.556 -4.345 1.00 0.11 C ATOM 929 O ILE A 108 -0.088 -4.775 -4.610 1.00 0.12 O ATOM 930 CB ILE A 108 -2.606 -2.645 -5.294 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.374 -2.192 -6.538 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.372 -1.793 -5.067 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.235 -0.970 -6.311 1.00 0.17 C ATOM 0 H ILE A 108 -4.307 -4.306 -5.130 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.788 -4.335 -6.388 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.237 -2.513 -4.415 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.662 -1.981 -7.336 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.005 -3.011 -6.882 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.663 -0.746 -4.980 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -0.876 -2.109 -4.149 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.689 -1.911 -5.908 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.748 -0.709 -7.237 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -4.971 -1.183 -5.536 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.607 -0.136 -5.997 1.00 0.17 H new ATOM 945 N LEU A 109 -1.788 -4.691 -3.141 1.00 0.09 N ATOM 946 CA LEU A 109 -1.010 -5.060 -1.975 1.00 0.08 C ATOM 947 C LEU A 109 -0.429 -6.457 -2.077 1.00 0.09 C ATOM 948 O LEU A 109 0.774 -6.657 -1.918 1.00 0.10 O ATOM 949 CB LEU A 109 -1.898 -4.961 -0.756 1.00 0.08 C ATOM 950 CG LEU A 109 -1.815 -3.622 -0.049 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.790 -3.575 1.091 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.410 -3.376 0.450 1.00 0.07 C ATOM 0 H LEU A 109 -2.778 -4.545 -2.942 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.165 -4.375 -1.901 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.931 -5.141 -1.054 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.626 -5.750 -0.054 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.072 -2.837 -0.760 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.720 -2.608 1.590 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.802 -3.715 0.710 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.557 -4.368 1.802 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.367 -2.411 0.955 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.129 -4.164 1.149 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.281 -3.375 -0.393 1.00 0.07 H new ATOM 964 N SER A 110 -1.291 -7.417 -2.335 1.00 0.10 N ATOM 965 CA SER A 110 -0.884 -8.804 -2.451 1.00 0.12 C ATOM 966 C SER A 110 0.143 -8.949 -3.570 1.00 0.12 C ATOM 967 O SER A 110 1.084 -9.744 -3.474 1.00 0.14 O ATOM 968 CB SER A 110 -2.106 -9.677 -2.702 1.00 0.15 C ATOM 969 OG SER A 110 -1.768 -11.051 -2.790 1.00 1.15 O ATOM 0 H SER A 110 -2.290 -7.261 -2.470 1.00 0.10 H new ATOM 0 HA SER A 110 -0.418 -9.131 -1.521 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.827 -9.532 -1.897 1.00 0.15 H new ATOM 0 HB3 SER A 110 -2.592 -9.363 -3.626 1.00 0.15 H new ATOM 0 HG SER A 110 -2.579 -11.578 -2.950 1.00 1.15 H new ATOM 975 N ARG A 111 -0.043 -8.158 -4.623 1.00 0.11 N ATOM 976 CA ARG A 111 0.920 -8.070 -5.705 1.00 0.12 C ATOM 977 C ARG A 111 2.270 -7.606 -5.196 1.00 0.11 C ATOM 978 O ARG A 111 3.265 -8.317 -5.301 1.00 0.13 O ATOM 979 CB ARG A 111 0.439 -7.070 -6.748 1.00 0.16 C ATOM 980 CG ARG A 111 -0.680 -7.567 -7.628 1.00 0.26 C ATOM 981 CD ARG A 111 -1.081 -6.509 -8.637 1.00 0.99 C ATOM 982 NE ARG A 111 -2.372 -6.788 -9.260 1.00 1.81 N ATOM 983 CZ ARG A 111 -3.210 -5.838 -9.668 1.00 2.57 C ATOM 984 NH1 ARG A 111 -2.900 -4.555 -9.496 1.00 2.67 N ATOM 985 NH2 ARG A 111 -4.360 -6.158 -10.246 1.00 3.55 N ATOM 0 H ARG A 111 -0.863 -7.564 -4.746 1.00 0.11 H new ATOM 0 HA ARG A 111 1.018 -9.064 -6.142 1.00 0.12 H new ATOM 0 HB2 ARG A 111 0.108 -6.165 -6.238 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.282 -6.790 -7.379 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.365 -8.472 -8.148 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.540 -7.835 -7.014 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -1.122 -5.538 -8.143 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -0.316 -6.441 -9.410 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.646 -7.762 -9.389 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -2.019 -4.298 -9.051 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -3.544 -3.828 -9.809 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -4.608 -7.138 -10.381 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -4.997 -5.424 -10.556 1.00 3.55 H new ATOM 999 N VAL A 112 2.285 -6.425 -4.606 1.00 0.10 N ATOM 1000 CA VAL A 112 3.538 -5.785 -4.244 1.00 0.10 C ATOM 1001 C VAL A 112 4.257 -6.524 -3.152 1.00 0.11 C ATOM 1002 O VAL A 112 5.452 -6.712 -3.241 1.00 0.12 O ATOM 1003 CB VAL A 112 3.380 -4.316 -3.809 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.176 -3.431 -5.008 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.250 -4.135 -2.821 1.00 0.10 C ATOM 0 H VAL A 112 1.449 -5.891 -4.368 1.00 0.10 H new ATOM 0 HA VAL A 112 4.125 -5.811 -5.162 1.00 0.10 H new ATOM 0 HB VAL A 112 4.302 -4.026 -3.306 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.066 -2.397 -4.682 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.037 -3.513 -5.671 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.277 -3.741 -5.540 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.175 -3.084 -2.542 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.313 -4.457 -3.276 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.445 -4.733 -1.931 1.00 0.10 H new ATOM 1015 N LEU A 113 3.534 -6.937 -2.131 1.00 0.10 N ATOM 1016 CA LEU A 113 4.143 -7.638 -1.018 1.00 0.11 C ATOM 1017 C LEU A 113 4.880 -8.865 -1.489 1.00 0.12 C ATOM 1018 O LEU A 113 6.068 -9.013 -1.247 1.00 0.14 O ATOM 1019 CB LEU A 113 3.079 -8.041 -0.022 1.00 0.11 C ATOM 1020 CG LEU A 113 3.002 -7.130 1.178 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.613 -6.542 1.298 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.408 -7.880 2.433 1.00 0.28 C ATOM 0 H LEU A 113 2.527 -6.800 -2.048 1.00 0.10 H new ATOM 0 HA LEU A 113 4.858 -6.966 -0.543 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.110 -8.053 -0.522 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.276 -9.058 0.316 1.00 0.11 H new ATOM 0 HG LEU A 113 3.700 -6.303 1.049 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.569 -5.886 2.168 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.381 -5.970 0.400 1.00 0.31 H new ATOM 0 HD13 LEU A 113 0.886 -7.346 1.413 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.348 -7.211 3.292 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.737 -8.726 2.584 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.430 -8.242 2.326 1.00 0.28 H new ATOM 1034 N SER A 114 4.167 -9.712 -2.195 1.00 0.13 N ATOM 1035 CA SER A 114 4.723 -10.964 -2.690 1.00 0.15 C ATOM 1036 C SER A 114 5.914 -10.702 -3.605 1.00 0.15 C ATOM 1037 O SER A 114 6.931 -11.395 -3.533 1.00 0.17 O ATOM 1038 CB SER A 114 3.649 -11.770 -3.427 1.00 0.17 C ATOM 1039 OG SER A 114 2.485 -11.929 -2.627 1.00 1.00 O ATOM 0 H SER A 114 3.190 -9.560 -2.445 1.00 0.13 H new ATOM 0 HA SER A 114 5.070 -11.546 -1.836 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.388 -11.266 -4.358 1.00 0.17 H new ATOM 0 HB3 SER A 114 4.046 -12.749 -3.695 1.00 0.17 H new ATOM 0 HG SER A 114 1.831 -11.237 -2.860 1.00 1.00 H new ATOM 1045 N ARG A 115 5.794 -9.680 -4.444 1.00 0.13 N ATOM 1046 CA ARG A 115 6.887 -9.273 -5.304 1.00 0.14 C ATOM 1047 C ARG A 115 8.027 -8.707 -4.467 1.00 0.14 C ATOM 1048 O ARG A 115 9.194 -8.913 -4.768 1.00 0.18 O ATOM 1049 CB ARG A 115 6.397 -8.217 -6.288 1.00 0.17 C ATOM 1050 CG ARG A 115 5.442 -8.747 -7.339 1.00 0.24 C ATOM 1051 CD ARG A 115 4.952 -7.623 -8.230 1.00 0.35 C ATOM 1052 NE ARG A 115 4.161 -8.112 -9.357 1.00 0.84 N ATOM 1053 CZ ARG A 115 3.377 -7.341 -10.109 1.00 1.19 C ATOM 1054 NH1 ARG A 115 3.335 -6.030 -9.905 1.00 1.20 N ATOM 1055 NH2 ARG A 115 2.658 -7.874 -11.087 1.00 1.83 N ATOM 0 H ARG A 115 4.947 -9.120 -4.544 1.00 0.13 H new ATOM 0 HA ARG A 115 7.250 -10.141 -5.855 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.903 -7.420 -5.733 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.258 -7.772 -6.786 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.941 -9.505 -7.942 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.594 -9.232 -6.856 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.351 -6.931 -7.640 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.807 -7.062 -8.606 1.00 0.35 H new ATOM 0 HE ARG A 115 4.212 -9.106 -9.582 1.00 0.84 H new ATOM 0 HH11 ARG A 115 3.904 -5.610 -9.170 1.00 1.20 H new ATOM 0 HH12 ARG A 115 2.733 -5.443 -10.483 1.00 1.20 H new ATOM 0 HH21 ARG A 115 2.704 -8.877 -11.265 1.00 1.83 H new ATOM 0 HH22 ARG A 115 2.059 -7.281 -11.661 1.00 1.83 H new ATOM 1069 N ALA A 116 7.657 -7.985 -3.423 1.00 0.13 N ATOM 1070 CA ALA A 116 8.612 -7.328 -2.531 1.00 0.14 C ATOM 1071 C ALA A 116 9.421 -8.341 -1.730 1.00 0.16 C ATOM 1072 O ALA A 116 10.602 -8.129 -1.470 1.00 0.18 O ATOM 1073 CB ALA A 116 7.876 -6.368 -1.606 1.00 0.15 C ATOM 0 H ALA A 116 6.682 -7.834 -3.164 1.00 0.13 H new ATOM 0 HA ALA A 116 9.318 -6.764 -3.141 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.591 -5.881 -0.943 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.360 -5.614 -2.200 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.149 -6.921 -1.011 1.00 0.15 H new ATOM 1079 N ARG A 117 8.778 -9.432 -1.326 1.00 0.19 N ATOM 1080 CA ARG A 117 9.469 -10.483 -0.582 1.00 0.24 C ATOM 1081 C ARG A 117 10.565 -11.112 -1.448 1.00 0.26 C ATOM 1082 O ARG A 117 11.674 -11.365 -0.984 1.00 0.32 O ATOM 1083 CB ARG A 117 8.508 -11.589 -0.127 1.00 0.28 C ATOM 1084 CG ARG A 117 7.133 -11.129 0.283 1.00 0.61 C ATOM 1085 CD ARG A 117 7.189 -10.258 1.497 1.00 0.34 C ATOM 1086 NE ARG A 117 7.371 -11.028 2.729 1.00 1.22 N ATOM 1087 CZ ARG A 117 7.100 -10.568 3.953 1.00 1.38 C ATOM 1088 NH1 ARG A 117 6.619 -9.341 4.124 1.00 1.30 N ATOM 1089 NH2 ARG A 117 7.298 -11.347 5.009 1.00 2.33 N ATOM 0 H ARG A 117 7.789 -9.612 -1.498 1.00 0.19 H new ATOM 0 HA ARG A 117 9.905 -10.015 0.301 1.00 0.24 H new ATOM 0 HB2 ARG A 117 8.404 -12.311 -0.937 1.00 0.28 H new ATOM 0 HB3 ARG A 117 8.961 -12.116 0.713 1.00 0.28 H new ATOM 0 HG2 ARG A 117 6.671 -10.582 -0.538 1.00 0.61 H new ATOM 0 HG3 ARG A 117 6.503 -11.995 0.484 1.00 0.61 H new ATOM 0 HD2 ARG A 117 8.008 -9.546 1.393 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.269 -9.678 1.567 1.00 0.34 H new ATOM 0 HE ARG A 117 7.729 -11.980 2.647 1.00 1.22 H new ATOM 0 HH11 ARG A 117 6.453 -8.741 3.316 1.00 1.30 H new ATOM 0 HH12 ARG A 117 6.415 -8.999 5.063 1.00 1.30 H new ATOM 0 HH21 ARG A 117 7.656 -12.294 4.884 1.00 2.33 H new ATOM 0 HH22 ARG A 117 7.092 -10.999 5.945 1.00 2.33 H new ATOM 1103 N SER A 118 10.231 -11.351 -2.711 1.00 0.26 N ATOM 1104 CA SER A 118 11.136 -12.013 -3.649 1.00 0.31 C ATOM 1105 C SER A 118 12.122 -11.026 -4.237 1.00 0.28 C ATOM 1106 O SER A 118 13.278 -11.351 -4.522 1.00 0.32 O ATOM 1107 CB SER A 118 10.327 -12.622 -4.784 1.00 0.37 C ATOM 1108 OG SER A 118 11.018 -13.687 -5.417 1.00 0.68 O ATOM 0 H SER A 118 9.330 -11.094 -3.114 1.00 0.26 H new ATOM 0 HA SER A 118 11.684 -12.785 -3.109 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.376 -12.987 -4.396 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.097 -11.851 -5.520 1.00 0.37 H new ATOM 0 HG SER A 118 10.465 -14.052 -6.139 1.00 0.68 H new ATOM 1114 N ARG A 119 11.647 -9.818 -4.411 1.00 0.23 N ATOM 1115 CA ARG A 119 12.387 -8.790 -5.089 1.00 0.20 C ATOM 1116 C ARG A 119 12.426 -7.519 -4.270 1.00 0.18 C ATOM 1117 O ARG A 119 11.809 -6.515 -4.631 1.00 0.17 O ATOM 1118 CB ARG A 119 11.739 -8.528 -6.434 1.00 0.25 C ATOM 1119 CG ARG A 119 12.317 -9.355 -7.551 1.00 0.33 C ATOM 1120 CD ARG A 119 13.527 -8.669 -8.158 1.00 0.33 C ATOM 1121 NE ARG A 119 14.147 -9.465 -9.208 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.195 -9.061 -9.921 1.00 0.97 C ATOM 1123 NH1 ARG A 119 15.772 -7.895 -9.655 1.00 1.48 N ATOM 1124 NH2 ARG A 119 15.668 -9.827 -10.892 1.00 1.19 N ATOM 0 H ARG A 119 10.728 -9.521 -4.082 1.00 0.23 H new ATOM 0 HA ARG A 119 13.415 -9.124 -5.230 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.670 -8.730 -6.359 1.00 0.25 H new ATOM 0 HB3 ARG A 119 11.847 -7.472 -6.681 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.601 -10.337 -7.173 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.561 -9.516 -8.319 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.227 -7.704 -8.566 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.259 -8.471 -7.376 1.00 0.33 H new ATOM 0 HE ARG A 119 13.755 -10.385 -9.408 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.412 -7.308 -8.903 1.00 1.48 H new ATOM 0 HH12 ARG A 119 16.575 -7.587 -10.203 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.229 -10.726 -11.093 1.00 1.19 H new ATOM 0 HH22 ARG A 119 16.471 -9.518 -11.439 1.00 1.19 H new ATOM 1138 N PRO A 120 13.178 -7.535 -3.169 1.00 0.19 N ATOM 1139 CA PRO A 120 13.322 -6.380 -2.291 1.00 0.19 C ATOM 1140 C PRO A 120 14.136 -5.263 -2.941 1.00 0.20 C ATOM 1141 O PRO A 120 14.294 -4.183 -2.374 1.00 0.21 O ATOM 1142 CB PRO A 120 14.040 -6.966 -1.086 1.00 0.23 C ATOM 1143 CG PRO A 120 14.849 -8.060 -1.660 1.00 0.25 C ATOM 1144 CD PRO A 120 13.951 -8.689 -2.673 1.00 0.22 C ATOM 0 HA PRO A 120 12.370 -5.911 -2.044 1.00 0.19 H new ATOM 0 HB2 PRO A 120 14.665 -6.222 -0.591 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.336 -7.337 -0.341 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.762 -7.681 -2.119 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.150 -8.776 -0.895 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.514 -9.174 -3.470 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.308 -9.449 -2.230 1.00 0.22 H new ATOM 1152 N ALA A 121 14.637 -5.519 -4.150 1.00 0.20 N ATOM 1153 CA ALA A 121 15.317 -4.486 -4.917 1.00 0.22 C ATOM 1154 C ALA A 121 14.280 -3.657 -5.639 1.00 0.19 C ATOM 1155 O ALA A 121 14.457 -2.467 -5.893 1.00 0.21 O ATOM 1156 CB ALA A 121 16.264 -5.098 -5.930 1.00 0.25 C ATOM 0 H ALA A 121 14.583 -6.427 -4.613 1.00 0.20 H new ATOM 0 HA ALA A 121 15.899 -3.864 -4.236 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.760 -4.305 -6.490 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.012 -5.699 -5.412 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.702 -5.731 -6.617 1.00 0.25 H new ATOM 1162 N LYS A 122 13.195 -4.329 -5.979 1.00 0.16 N ATOM 1163 CA LYS A 122 12.074 -3.701 -6.632 1.00 0.16 C ATOM 1164 C LYS A 122 11.089 -3.152 -5.615 1.00 0.11 C ATOM 1165 O LYS A 122 10.033 -2.665 -5.990 1.00 0.11 O ATOM 1166 CB LYS A 122 11.378 -4.681 -7.557 1.00 0.20 C ATOM 1167 CG LYS A 122 12.268 -5.143 -8.687 1.00 0.27 C ATOM 1168 CD LYS A 122 11.500 -5.301 -9.977 1.00 0.41 C ATOM 1169 CE LYS A 122 10.317 -6.223 -9.811 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.495 -6.322 -11.045 1.00 1.07 N ATOM 0 H LYS A 122 13.072 -5.327 -5.807 1.00 0.16 H new ATOM 0 HA LYS A 122 12.455 -2.869 -7.224 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.048 -5.546 -6.982 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.485 -4.213 -7.971 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.076 -4.425 -8.830 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.730 -6.094 -8.420 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.156 -4.325 -10.318 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.162 -5.693 -10.749 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.671 -7.216 -9.533 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.694 -5.866 -8.991 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 8.696 -6.966 -10.879 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.134 -5.380 -11.298 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.080 -6.689 -11.823 1.00 1.07 H new ATOM 1184 N LEU A 123 11.414 -3.265 -4.323 1.00 0.10 N ATOM 1185 CA LEU A 123 10.581 -2.699 -3.273 1.00 0.08 C ATOM 1186 C LEU A 123 10.142 -1.278 -3.583 1.00 0.08 C ATOM 1187 O LEU A 123 8.985 -0.953 -3.407 1.00 0.13 O ATOM 1188 CB LEU A 123 11.308 -2.720 -1.941 1.00 0.12 C ATOM 1189 CG LEU A 123 10.517 -2.097 -0.807 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.230 -2.862 -0.603 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.339 -2.051 0.459 1.00 0.23 C ATOM 0 H LEU A 123 12.249 -3.744 -3.986 1.00 0.10 H new ATOM 0 HA LEU A 123 9.688 -3.322 -3.217 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.546 -3.752 -1.683 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.255 -2.191 -2.045 1.00 0.12 H new ATOM 0 HG LEU A 123 10.269 -1.068 -1.069 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.664 -2.412 0.213 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.638 -2.828 -1.517 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.458 -3.899 -0.357 1.00 0.12 H new ATOM 0 HD21 LEU A 123 10.751 -1.600 1.258 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.624 -3.064 0.745 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.236 -1.456 0.289 1.00 0.23 H new ATOM 1203 N TYR A 124 11.049 -0.443 -4.064 1.00 0.11 N ATOM 1204 CA TYR A 124 10.705 0.901 -4.458 1.00 0.10 C ATOM 1205 C TYR A 124 9.678 0.918 -5.559 1.00 0.11 C ATOM 1206 O TYR A 124 8.841 1.799 -5.602 1.00 0.14 O ATOM 1207 CB TYR A 124 11.931 1.630 -4.925 1.00 0.14 C ATOM 1208 CG TYR A 124 12.281 2.711 -3.984 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.299 2.435 -2.647 1.00 0.33 C ATOM 1210 CD2 TYR A 124 12.593 3.982 -4.414 1.00 1.30 C ATOM 1211 CE1 TYR A 124 12.614 3.376 -1.739 1.00 0.74 C ATOM 1212 CE2 TYR A 124 12.915 4.962 -3.507 1.00 1.74 C ATOM 1213 CZ TYR A 124 12.928 4.657 -2.164 1.00 1.45 C ATOM 1214 OH TYR A 124 13.253 5.630 -1.256 1.00 1.89 O ATOM 0 H TYR A 124 12.033 -0.681 -4.189 1.00 0.11 H new ATOM 0 HA TYR A 124 10.281 1.395 -3.584 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.764 0.933 -5.013 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.758 2.046 -5.917 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.055 1.438 -2.311 1.00 0.33 H new ATOM 0 HD2 TYR A 124 12.584 4.209 -5.470 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.622 3.135 -0.686 1.00 0.74 H new ATOM 0 HE2 TYR A 124 13.155 5.960 -3.843 1.00 1.74 H new ATOM 0 HH TYR A 124 13.446 6.467 -1.728 1.00 1.89 H new ATOM 1224 N VAL A 125 9.717 -0.066 -6.430 1.00 0.10 N ATOM 1225 CA VAL A 125 8.764 -0.134 -7.516 1.00 0.12 C ATOM 1226 C VAL A 125 7.389 -0.264 -6.909 1.00 0.11 C ATOM 1227 O VAL A 125 6.423 0.365 -7.324 1.00 0.14 O ATOM 1228 CB VAL A 125 9.016 -1.369 -8.392 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.019 -1.434 -9.515 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.432 -1.386 -8.922 1.00 0.18 C ATOM 0 H VAL A 125 10.395 -0.827 -6.408 1.00 0.10 H new ATOM 0 HA VAL A 125 8.858 0.760 -8.133 1.00 0.12 H new ATOM 0 HB VAL A 125 8.887 -2.255 -7.770 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.214 -2.316 -10.124 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.011 -1.493 -9.104 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.107 -0.540 -10.132 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.579 -2.273 -9.539 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.606 -0.493 -9.523 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.133 -1.404 -8.087 1.00 0.18 H new ATOM 1240 N TYR A 126 7.371 -1.088 -5.890 1.00 0.07 N ATOM 1241 CA TYR A 126 6.192 -1.413 -5.118 1.00 0.08 C ATOM 1242 C TYR A 126 5.802 -0.253 -4.214 1.00 0.08 C ATOM 1243 O TYR A 126 4.630 0.093 -4.108 1.00 0.10 O ATOM 1244 CB TYR A 126 6.529 -2.655 -4.307 1.00 0.11 C ATOM 1245 CG TYR A 126 7.160 -3.739 -5.144 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.785 -3.942 -6.468 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.145 -4.544 -4.615 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.384 -4.924 -7.234 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.742 -5.530 -5.374 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.360 -5.714 -6.674 1.00 0.28 C ATOM 1251 OH TYR A 126 8.945 -6.715 -7.408 1.00 0.36 O ATOM 0 H TYR A 126 8.208 -1.570 -5.562 1.00 0.07 H new ATOM 0 HA TYR A 126 5.337 -1.600 -5.768 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.208 -2.384 -3.498 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.620 -3.040 -3.845 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.015 -3.323 -6.904 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.455 -4.401 -3.590 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.088 -5.069 -8.263 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.509 -6.155 -4.942 1.00 0.27 H new ATOM 0 HH TYR A 126 8.351 -6.971 -8.144 1.00 0.36 H new ATOM 1261 N ILE A 127 6.792 0.329 -3.553 1.00 0.08 N ATOM 1262 CA ILE A 127 6.606 1.518 -2.741 1.00 0.11 C ATOM 1263 C ILE A 127 6.027 2.641 -3.582 1.00 0.12 C ATOM 1264 O ILE A 127 4.994 3.217 -3.242 1.00 0.14 O ATOM 1265 CB ILE A 127 7.954 1.958 -2.129 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.435 0.909 -1.143 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.845 3.308 -1.436 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.892 1.053 -0.806 1.00 0.13 C ATOM 0 H ILE A 127 7.752 -0.014 -3.566 1.00 0.08 H new ATOM 0 HA ILE A 127 5.910 1.287 -1.935 1.00 0.11 H new ATOM 0 HB ILE A 127 8.673 2.060 -2.942 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.846 0.979 -0.228 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.259 -0.083 -1.560 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.814 3.582 -1.019 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.534 4.063 -2.158 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.109 3.247 -0.634 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.180 0.277 -0.097 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.487 0.954 -1.714 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.068 2.033 -0.362 1.00 0.13 H new ATOM 1280 N ASN A 128 6.696 2.938 -4.689 1.00 0.12 N ATOM 1281 CA ASN A 128 6.197 3.928 -5.635 1.00 0.15 C ATOM 1282 C ASN A 128 4.840 3.517 -6.203 1.00 0.12 C ATOM 1283 O ASN A 128 3.976 4.367 -6.408 1.00 0.12 O ATOM 1284 CB ASN A 128 7.200 4.168 -6.770 1.00 0.20 C ATOM 1285 CG ASN A 128 8.418 4.965 -6.324 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.429 6.194 -6.390 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.452 4.271 -5.871 1.00 0.42 N ATOM 0 H ASN A 128 7.583 2.509 -4.953 1.00 0.12 H new ATOM 0 HA ASN A 128 6.070 4.863 -5.089 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.526 3.208 -7.169 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.702 4.698 -7.582 1.00 0.20 H new ATOM 0 HD21 ASN A 128 10.295 4.755 -5.562 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.405 3.253 -5.831 1.00 0.42 H new ATOM 1294 N GLU A 129 4.658 2.219 -6.459 1.00 0.11 N ATOM 1295 CA GLU A 129 3.376 1.697 -6.928 1.00 0.10 C ATOM 1296 C GLU A 129 2.272 2.020 -5.953 1.00 0.09 C ATOM 1297 O GLU A 129 1.318 2.709 -6.280 1.00 0.14 O ATOM 1298 CB GLU A 129 3.431 0.187 -7.075 1.00 0.14 C ATOM 1299 CG GLU A 129 2.846 -0.311 -8.370 1.00 0.26 C ATOM 1300 CD GLU A 129 1.449 0.195 -8.679 1.00 1.41 C ATOM 1301 OE1 GLU A 129 1.311 1.364 -9.097 1.00 2.29 O ATOM 1302 OE2 GLU A 129 0.487 -0.597 -8.555 1.00 1.55 O ATOM 0 H GLU A 129 5.384 1.511 -6.349 1.00 0.11 H new ATOM 0 HA GLU A 129 3.175 2.165 -7.892 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.469 -0.140 -7.005 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.895 -0.271 -6.243 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.509 -0.023 -9.186 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.825 -1.401 -8.346 1.00 0.26 H new ATOM 1309 N LEU A 130 2.445 1.527 -4.746 1.00 0.07 N ATOM 1310 CA LEU A 130 1.455 1.659 -3.704 1.00 0.08 C ATOM 1311 C LEU A 130 1.219 3.127 -3.401 1.00 0.09 C ATOM 1312 O LEU A 130 0.087 3.549 -3.239 1.00 0.10 O ATOM 1313 CB LEU A 130 1.909 0.920 -2.454 1.00 0.08 C ATOM 1314 CG LEU A 130 0.781 0.306 -1.634 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.077 -0.789 -2.413 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.328 -0.235 -0.330 1.00 0.08 C ATOM 0 H LEU A 130 3.283 1.020 -4.460 1.00 0.07 H new ATOM 0 HA LEU A 130 0.518 1.218 -4.043 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.600 0.129 -2.746 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.465 1.611 -1.821 1.00 0.08 H new ATOM 0 HG LEU A 130 0.048 1.083 -1.415 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.724 -1.211 -1.805 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.343 -0.372 -3.328 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.791 -1.572 -2.666 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.516 -0.673 0.251 1.00 0.08 H new ATOM 0 HD22 LEU A 130 2.077 -0.998 -0.539 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.785 0.576 0.237 1.00 0.08 H new ATOM 1328 N CYS A 131 2.295 3.902 -3.357 1.00 0.11 N ATOM 1329 CA CYS A 131 2.194 5.342 -3.176 1.00 0.13 C ATOM 1330 C CYS A 131 1.332 5.959 -4.273 1.00 0.13 C ATOM 1331 O CYS A 131 0.450 6.772 -4.001 1.00 0.14 O ATOM 1332 CB CYS A 131 3.587 5.968 -3.194 1.00 0.18 C ATOM 1333 SG CYS A 131 3.589 7.771 -3.256 1.00 1.39 S ATOM 0 H CYS A 131 3.250 3.555 -3.445 1.00 0.11 H new ATOM 0 HA CYS A 131 1.725 5.540 -2.212 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.129 5.646 -2.305 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.133 5.586 -4.056 1.00 0.18 H new ATOM 0 HG CYS A 131 4.365 8.236 -2.323 1.00 1.39 H new ATOM 1339 N THR A 132 1.593 5.549 -5.507 1.00 0.12 N ATOM 1340 CA THR A 132 0.826 6.018 -6.652 1.00 0.14 C ATOM 1341 C THR A 132 -0.615 5.543 -6.537 1.00 0.11 C ATOM 1342 O THR A 132 -1.550 6.312 -6.720 1.00 0.15 O ATOM 1343 CB THR A 132 1.442 5.526 -7.980 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.765 6.061 -8.127 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.591 5.937 -9.173 1.00 0.24 C ATOM 0 H THR A 132 2.335 4.889 -5.741 1.00 0.12 H new ATOM 0 HA THR A 132 0.850 7.108 -6.655 1.00 0.14 H new ATOM 0 HB THR A 132 1.483 4.437 -7.950 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.385 5.561 -7.556 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.053 5.575 -10.091 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.406 5.507 -9.074 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.515 7.024 -9.209 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.766 4.268 -6.220 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.052 3.655 -5.935 1.00 0.07 C ATOM 1355 C VAL A 133 -2.842 4.437 -4.898 1.00 0.07 C ATOM 1356 O VAL A 133 -4.010 4.774 -5.100 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.815 2.231 -5.422 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.021 1.677 -4.696 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.425 1.328 -6.566 1.00 0.10 C ATOM 0 H VAL A 133 0.017 3.618 -6.152 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.635 3.647 -6.856 1.00 0.07 H new ATOM 0 HB VAL A 133 -0.999 2.272 -4.700 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.805 0.666 -4.351 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.253 2.311 -3.840 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.875 1.655 -5.373 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.259 0.318 -6.192 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.224 1.313 -7.307 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.510 1.699 -7.027 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.192 4.724 -3.793 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.828 5.404 -2.683 1.00 0.11 C ATOM 1371 C LEU A 134 -3.147 6.844 -3.049 1.00 0.14 C ATOM 1372 O LEU A 134 -4.182 7.372 -2.663 1.00 0.18 O ATOM 1373 CB LEU A 134 -1.916 5.351 -1.465 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.557 3.943 -0.990 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.437 3.988 0.033 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -2.781 3.251 -0.423 1.00 0.16 C ATOM 0 H LEU A 134 -1.211 4.494 -3.637 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.766 4.902 -2.448 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -0.995 5.887 -1.695 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.398 5.883 -0.645 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.204 3.369 -1.847 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.199 2.975 0.356 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.446 4.443 -0.415 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -0.753 4.578 0.893 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.511 2.249 -0.089 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.165 3.824 0.421 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.549 3.181 -1.193 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.256 7.458 -3.821 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.424 8.807 -4.281 1.00 0.17 C ATOM 1390 C LYS A 135 -3.513 8.849 -5.335 1.00 0.15 C ATOM 1391 O LYS A 135 -4.164 9.872 -5.549 1.00 0.18 O ATOM 1392 CB LYS A 135 -1.097 9.291 -4.854 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.770 10.702 -4.454 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.663 11.683 -5.168 1.00 0.68 C ATOM 1395 CE LYS A 135 -0.988 12.223 -6.415 1.00 1.32 C ATOM 1396 NZ LYS A 135 -1.879 13.133 -7.176 1.00 1.82 N ATOM 0 H LYS A 135 -1.393 7.018 -4.141 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.719 9.459 -3.459 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.299 8.629 -4.519 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.130 9.225 -5.941 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.887 10.815 -3.376 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.273 10.918 -4.686 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.600 11.197 -5.439 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.913 12.507 -4.499 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -0.079 12.756 -6.134 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -0.686 11.392 -7.053 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -1.381 13.480 -8.020 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 -2.735 12.618 -7.466 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 -2.146 13.939 -6.576 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.705 7.713 -5.985 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.699 7.575 -7.014 1.00 0.14 C ATOM 1412 C ALA A 136 -6.076 7.463 -6.389 1.00 0.16 C ATOM 1413 O ALA A 136 -7.065 7.943 -6.937 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.398 6.339 -7.849 1.00 0.17 C ATOM 0 H ALA A 136 -3.170 6.863 -5.807 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.678 8.454 -7.658 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.152 6.235 -8.629 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.414 6.440 -8.307 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.412 5.456 -7.210 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.123 6.830 -5.226 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.384 6.529 -4.576 1.00 0.23 C ATOM 1422 C HIS A 137 -7.411 7.081 -3.163 1.00 0.24 C ATOM 1423 O HIS A 137 -7.859 6.418 -2.228 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.616 5.020 -4.566 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.428 4.391 -5.911 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -7.975 4.903 -7.062 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.698 3.321 -6.291 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.585 4.177 -8.088 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.813 3.201 -7.652 1.00 0.34 N ATOM 0 H HIS A 137 -5.299 6.515 -4.714 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.187 7.007 -5.138 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.931 4.557 -3.856 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.627 4.816 -4.213 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -6.126 2.676 -5.640 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.854 4.352 -9.119 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.377 2.481 -8.228 1.00 0.34 H new