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 106 CYS SG : rot 100:sc= 1.19 USER MOD Set 1.2: A 110 SER OG : rot 82:sc= 1.18 USER MOD Set 2.1: A 92 GLN : amide:sc= -1.69! C(o=-2.1!,f=-4.2!) USER MOD Set 2.2: A 93 GLN : amide:sc= -0.381 X(o=-2.1,f=-1.9) USER MOD Set 3.1: A 81 HIS : no HE2:sc= 1.09 K(o=1.1,f=-2.9!) USER MOD Set 3.2: A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.621 K(o=-0.62,f=-10!) USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= -0.016 (180deg=-0.0963) USER MOD Single : A 74 CYS SG : rot 67:sc= -0.759 USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 1.19 (180deg=1.01) USER MOD Single : A 76 MET CE :methyl 166:sc= -3.75! (180deg=-4.05!) USER MOD Single : A 77 GLN : amide:sc= -0.359 K(o=-0.36,f=-1.3) USER MOD Single : A 78 THR OG1 : rot -36:sc= 1.25 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.867 K(o=-0.87,f=-0.17) USER MOD Single : A 96 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-8.3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -55:sc= 1.06 USER MOD Single : A 107 ASN : amide:sc= -0.0392 K(o=-0.039,f=-0.7) USER MOD Single : A 114 SER OG : rot 111:sc= 1.28 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 -10:sc= -4.02! USER MOD Single : A 128 ASN : amide:sc= -3.31! K(o=-3.3!,f=-0.87) USER MOD Single : A 131 CYS SG : rot 150:sc= -2.92! USER MOD Single : A 132 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 135 LYS NZ :NH3+ -162:sc= -0.0845 (180deg=-0.489) USER MOD Single : A 137 HIS : no HD1:sc= -2.18! K(o=-2.2!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 60 -10.381 -4.481 4.459 1.00 0.29 N ATOM 139 CA LYS A 60 -9.665 -3.457 5.218 1.00 0.29 C ATOM 140 C LYS A 60 -8.655 -4.080 6.181 1.00 0.25 C ATOM 141 O LYS A 60 -7.488 -3.735 6.140 1.00 0.26 O ATOM 142 CB LYS A 60 -10.616 -2.460 5.905 1.00 0.37 C ATOM 143 CG LYS A 60 -11.070 -2.784 7.305 1.00 0.57 C ATOM 144 CD LYS A 60 -10.044 -2.377 8.347 1.00 0.43 C ATOM 145 CE LYS A 60 -10.548 -2.663 9.750 1.00 0.76 C ATOM 146 NZ LYS A 60 -9.681 -2.059 10.792 1.00 1.62 N ATOM 0 HA LYS A 60 -9.092 -2.866 4.503 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -10.125 -1.487 5.927 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.503 -2.355 5.280 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -12.012 -2.275 7.507 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.262 -3.854 7.385 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -9.112 -2.916 8.175 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.821 -1.315 8.247 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -11.562 -2.277 9.855 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -10.599 -3.741 9.903 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -10.064 -2.280 11.733 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.719 -2.445 10.710 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.652 -1.027 10.664 1.00 1.62 H new ATOM 160 N LEU A 61 -9.080 -5.022 7.007 1.00 0.25 N ATOM 161 CA LEU A 61 -8.163 -5.698 7.906 1.00 0.25 C ATOM 162 C LEU A 61 -6.982 -6.281 7.153 1.00 0.26 C ATOM 163 O LEU A 61 -5.835 -6.099 7.548 1.00 0.30 O ATOM 164 CB LEU A 61 -8.878 -6.804 8.655 1.00 0.30 C ATOM 165 CG LEU A 61 -8.902 -6.616 10.161 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.455 -7.856 10.839 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.507 -6.289 10.678 1.00 0.63 C ATOM 0 H LEU A 61 -10.049 -5.334 7.073 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.792 -4.958 8.615 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.903 -6.871 8.291 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.396 -7.754 8.426 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.557 -5.778 10.399 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.466 -7.706 11.919 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.470 -8.040 10.488 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.826 -8.713 10.598 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.541 -6.157 11.759 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.828 -7.106 10.433 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.152 -5.370 10.212 1.00 0.63 H new ATOM 179 N GLU A 62 -7.280 -6.974 6.070 1.00 0.25 N ATOM 180 CA GLU A 62 -6.274 -7.574 5.258 1.00 0.29 C ATOM 181 C GLU A 62 -5.326 -6.525 4.703 1.00 0.23 C ATOM 182 O GLU A 62 -4.117 -6.691 4.767 1.00 0.20 O ATOM 183 CB GLU A 62 -6.915 -8.339 4.123 1.00 0.39 C ATOM 184 CG GLU A 62 -6.058 -9.492 3.708 1.00 0.63 C ATOM 185 CD GLU A 62 -6.626 -10.298 2.563 1.00 1.48 C ATOM 186 OE1 GLU A 62 -7.488 -11.166 2.810 1.00 1.98 O ATOM 187 OE2 GLU A 62 -6.230 -10.045 1.403 1.00 2.20 O ATOM 0 H GLU A 62 -8.233 -7.129 5.740 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.700 -8.262 5.879 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -7.896 -8.702 4.431 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -7.073 -7.674 3.274 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -5.075 -9.117 3.423 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -5.912 -10.150 4.565 1.00 0.63 H new ATOM 194 N ASN A 63 -5.884 -5.445 4.178 1.00 0.22 N ATOM 195 CA ASN A 63 -5.098 -4.410 3.528 1.00 0.19 C ATOM 196 C ASN A 63 -4.310 -3.597 4.533 1.00 0.15 C ATOM 197 O ASN A 63 -3.139 -3.309 4.310 1.00 0.16 O ATOM 198 CB ASN A 63 -5.999 -3.498 2.708 1.00 0.21 C ATOM 199 CG ASN A 63 -6.655 -4.225 1.559 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.140 -5.226 1.072 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.791 -3.720 1.111 1.00 0.27 N ATOM 0 H ASN A 63 -6.887 -5.263 4.190 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.387 -4.902 2.864 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.768 -3.074 3.354 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.413 -2.664 2.321 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.274 -4.165 0.331 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.185 -2.885 1.546 1.00 0.27 H new ATOM 208 N GLU A 64 -4.953 -3.228 5.631 1.00 0.15 N ATOM 209 CA GLU A 64 -4.289 -2.628 6.753 1.00 0.16 C ATOM 210 C GLU A 64 -3.072 -3.459 7.148 1.00 0.14 C ATOM 211 O GLU A 64 -1.948 -2.963 7.219 1.00 0.17 O ATOM 212 CB GLU A 64 -5.290 -2.563 7.879 1.00 0.21 C ATOM 213 CG GLU A 64 -6.191 -1.345 7.797 1.00 0.30 C ATOM 214 CD GLU A 64 -6.591 -0.896 6.401 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.735 -0.352 5.681 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.785 -1.022 6.058 1.00 1.75 O ATOM 0 H GLU A 64 -5.959 -3.342 5.758 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.931 -1.628 6.510 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.903 -3.464 7.866 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.759 -2.553 8.831 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -7.099 -1.553 8.363 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.689 -0.514 8.293 1.00 0.30 H new ATOM 223 N LYS A 65 -3.327 -4.743 7.362 1.00 0.13 N ATOM 224 CA LYS A 65 -2.324 -5.714 7.704 1.00 0.14 C ATOM 225 C LYS A 65 -1.253 -5.836 6.623 1.00 0.12 C ATOM 226 O LYS A 65 -0.064 -5.746 6.913 1.00 0.14 O ATOM 227 CB LYS A 65 -3.040 -7.032 7.880 1.00 0.20 C ATOM 228 CG LYS A 65 -2.321 -8.011 8.753 1.00 0.44 C ATOM 229 CD LYS A 65 -1.425 -8.957 7.962 1.00 0.86 C ATOM 230 CE LYS A 65 -2.197 -9.740 6.904 1.00 1.32 C ATOM 231 NZ LYS A 65 -3.369 -10.458 7.475 1.00 1.93 N ATOM 0 H LYS A 65 -4.265 -5.137 7.298 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.808 -5.410 8.615 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -4.027 -6.843 8.302 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.194 -7.482 6.899 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -1.717 -7.468 9.480 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -3.050 -8.594 9.316 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.632 -8.385 7.480 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -0.943 -9.655 8.647 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -2.536 -9.057 6.125 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -1.530 -10.459 6.429 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -3.781 -11.081 6.751 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -3.064 -11.028 8.289 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -4.082 -9.767 7.784 1.00 1.93 H new ATOM 245 N LEU A 66 -1.681 -6.048 5.382 1.00 0.11 N ATOM 246 CA LEU A 66 -0.759 -6.187 4.256 1.00 0.10 C ATOM 247 C LEU A 66 0.091 -4.941 4.121 1.00 0.08 C ATOM 248 O LEU A 66 1.278 -5.018 3.815 1.00 0.08 O ATOM 249 CB LEU A 66 -1.519 -6.435 2.953 1.00 0.10 C ATOM 250 CG LEU A 66 -2.209 -7.791 2.843 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.034 -7.866 1.570 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.186 -8.911 2.876 1.00 0.17 C ATOM 0 H LEU A 66 -2.666 -6.128 5.128 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.116 -7.045 4.451 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.270 -5.654 2.837 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.822 -6.333 2.121 1.00 0.10 H new ATOM 0 HG LEU A 66 -2.878 -7.907 3.696 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.519 -8.840 1.508 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -3.792 -7.083 1.581 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.383 -7.729 0.706 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -1.695 -9.871 2.797 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.494 -8.797 2.041 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.632 -8.871 3.814 1.00 0.17 H new ATOM 264 N PHE A 67 -0.531 -3.795 4.354 1.00 0.07 N ATOM 265 CA PHE A 67 0.177 -2.537 4.384 1.00 0.06 C ATOM 266 C PHE A 67 1.287 -2.579 5.419 1.00 0.06 C ATOM 267 O PHE A 67 2.423 -2.244 5.120 1.00 0.07 O ATOM 268 CB PHE A 67 -0.768 -1.377 4.692 1.00 0.08 C ATOM 269 CG PHE A 67 -0.047 -0.075 4.708 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.654 0.320 3.594 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.045 0.734 5.832 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.355 1.512 3.584 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.647 1.926 5.830 1.00 0.12 C ATOM 274 CZ PHE A 67 1.349 2.314 4.704 1.00 0.09 C ATOM 0 H PHE A 67 -1.533 -3.717 4.526 1.00 0.07 H new ATOM 0 HA PHE A 67 0.610 -2.377 3.396 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.562 -1.345 3.946 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.245 -1.542 5.658 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.658 -0.308 2.716 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.588 0.429 6.714 1.00 0.12 H new ATOM 0 HE1 PHE A 67 1.904 1.812 2.704 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.641 2.556 6.707 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.893 3.247 4.702 1.00 0.09 H new ATOM 284 N GLU A 68 0.947 -2.991 6.635 1.00 0.08 N ATOM 285 CA GLU A 68 1.934 -3.123 7.703 1.00 0.09 C ATOM 286 C GLU A 68 3.007 -4.113 7.308 1.00 0.10 C ATOM 287 O GLU A 68 4.187 -3.881 7.532 1.00 0.12 O ATOM 288 CB GLU A 68 1.290 -3.615 8.996 1.00 0.14 C ATOM 289 CG GLU A 68 0.031 -2.882 9.378 1.00 0.21 C ATOM 290 CD GLU A 68 -0.468 -3.284 10.746 1.00 0.87 C ATOM 291 OE1 GLU A 68 -1.230 -4.272 10.842 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.080 -2.636 11.740 1.00 1.19 O ATOM 0 H GLU A 68 -0.004 -3.240 6.907 1.00 0.08 H new ATOM 0 HA GLU A 68 2.367 -2.136 7.865 1.00 0.09 H new ATOM 0 HB2 GLU A 68 1.062 -4.676 8.894 1.00 0.14 H new ATOM 0 HB3 GLU A 68 2.012 -3.520 9.807 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.218 -1.808 9.362 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.743 -3.082 8.637 1.00 0.21 H new ATOM 299 N GLU A 69 2.584 -5.208 6.703 1.00 0.10 N ATOM 300 CA GLU A 69 3.496 -6.264 6.289 1.00 0.12 C ATOM 301 C GLU A 69 4.507 -5.719 5.303 1.00 0.11 C ATOM 302 O GLU A 69 5.676 -6.102 5.300 1.00 0.14 O ATOM 303 CB GLU A 69 2.713 -7.390 5.635 1.00 0.15 C ATOM 304 CG GLU A 69 1.850 -8.167 6.595 1.00 0.25 C ATOM 305 CD GLU A 69 2.652 -9.150 7.415 1.00 0.81 C ATOM 306 OE1 GLU A 69 3.111 -10.166 6.855 1.00 1.34 O ATOM 307 OE2 GLU A 69 2.813 -8.916 8.632 1.00 1.21 O ATOM 0 H GLU A 69 1.605 -5.392 6.485 1.00 0.10 H new ATOM 0 HA GLU A 69 4.018 -6.644 7.167 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.082 -6.973 4.850 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.412 -8.074 5.153 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.336 -7.474 7.262 1.00 0.25 H new ATOM 0 HG3 GLU A 69 1.081 -8.703 6.038 1.00 0.25 H new ATOM 314 N PHE A 70 4.026 -4.820 4.469 1.00 0.09 N ATOM 315 CA PHE A 70 4.826 -4.191 3.465 1.00 0.09 C ATOM 316 C PHE A 70 5.646 -3.066 4.101 1.00 0.08 C ATOM 317 O PHE A 70 6.815 -2.875 3.783 1.00 0.10 O ATOM 318 CB PHE A 70 3.900 -3.668 2.375 1.00 0.09 C ATOM 319 CG PHE A 70 4.598 -3.027 1.229 1.00 0.09 C ATOM 320 CD1 PHE A 70 4.937 -1.701 1.300 1.00 0.12 C ATOM 321 CD2 PHE A 70 4.903 -3.744 0.084 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.575 -1.082 0.251 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.544 -3.132 -0.976 1.00 0.13 C ATOM 324 CZ PHE A 70 5.880 -1.796 -0.891 1.00 0.13 C ATOM 0 H PHE A 70 3.055 -4.509 4.478 1.00 0.09 H new ATOM 0 HA PHE A 70 5.526 -4.898 3.020 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.297 -4.495 2.000 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.212 -2.946 2.815 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.700 -1.136 2.190 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.638 -4.789 0.019 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.838 -0.037 0.320 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.781 -3.696 -1.866 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.380 -1.310 -1.716 1.00 0.13 H new ATOM 334 N LEU A 71 4.997 -2.317 4.991 1.00 0.07 N ATOM 335 CA LEU A 71 5.628 -1.242 5.732 1.00 0.08 C ATOM 336 C LEU A 71 6.811 -1.724 6.562 1.00 0.08 C ATOM 337 O LEU A 71 7.920 -1.207 6.433 1.00 0.09 O ATOM 338 CB LEU A 71 4.607 -0.551 6.627 1.00 0.09 C ATOM 339 CG LEU A 71 4.085 0.770 6.079 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.646 1.694 7.190 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.147 1.437 5.254 1.00 0.10 C ATOM 0 H LEU A 71 4.010 -2.446 5.215 1.00 0.07 H new ATOM 0 HA LEU A 71 6.015 -0.532 5.001 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.764 -1.224 6.784 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.058 -0.373 7.603 1.00 0.09 H new ATOM 0 HG LEU A 71 3.217 0.555 5.455 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.279 2.627 6.763 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.850 1.220 7.764 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.492 1.902 7.845 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.766 2.381 4.865 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.024 1.627 5.874 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.424 0.788 4.423 1.00 0.10 H new ATOM 353 N GLU A 72 6.558 -2.695 7.427 1.00 0.08 N ATOM 354 CA GLU A 72 7.615 -3.322 8.227 1.00 0.11 C ATOM 355 C GLU A 72 8.723 -3.811 7.323 1.00 0.09 C ATOM 356 O GLU A 72 9.909 -3.621 7.598 1.00 0.12 O ATOM 357 CB GLU A 72 7.069 -4.500 9.021 1.00 0.19 C ATOM 358 CG GLU A 72 5.937 -4.107 9.927 1.00 0.26 C ATOM 359 CD GLU A 72 6.360 -3.112 10.986 1.00 0.59 C ATOM 360 OE1 GLU A 72 7.371 -3.359 11.675 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.698 -2.068 11.125 1.00 1.13 O ATOM 0 H GLU A 72 5.626 -3.072 7.598 1.00 0.08 H new ATOM 0 HA GLU A 72 8.001 -2.575 8.920 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.727 -5.272 8.331 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.871 -4.937 9.616 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.131 -3.678 9.331 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.536 -4.998 10.410 1.00 0.26 H new ATOM 368 N LEU A 73 8.311 -4.449 6.244 1.00 0.10 N ATOM 369 CA LEU A 73 9.230 -4.892 5.209 1.00 0.11 C ATOM 370 C LEU A 73 10.088 -3.733 4.739 1.00 0.10 C ATOM 371 O LEU A 73 11.307 -3.830 4.731 1.00 0.12 O ATOM 372 CB LEU A 73 8.449 -5.463 4.027 1.00 0.14 C ATOM 373 CG LEU A 73 9.291 -5.914 2.836 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.941 -7.257 3.109 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.442 -5.969 1.581 1.00 0.46 C ATOM 0 H LEU A 73 7.334 -4.675 6.059 1.00 0.10 H new ATOM 0 HA LEU A 73 9.875 -5.667 5.623 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.864 -6.313 4.378 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.741 -4.708 3.684 1.00 0.14 H new ATOM 0 HG LEU A 73 10.086 -5.185 2.682 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.535 -7.556 2.245 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.587 -7.178 3.984 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.169 -8.004 3.294 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.056 -6.292 0.740 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.624 -6.675 1.726 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.035 -4.979 1.374 1.00 0.46 H new ATOM 387 N CYS A 74 9.449 -2.632 4.378 1.00 0.09 N ATOM 388 CA CYS A 74 10.175 -1.452 3.930 1.00 0.10 C ATOM 389 C CYS A 74 11.157 -0.987 4.999 1.00 0.11 C ATOM 390 O CYS A 74 12.308 -0.711 4.698 1.00 0.14 O ATOM 391 CB CYS A 74 9.213 -0.326 3.557 1.00 0.10 C ATOM 392 SG CYS A 74 8.144 -0.725 2.163 1.00 0.11 S ATOM 0 H CYS A 74 8.434 -2.529 4.386 1.00 0.09 H new ATOM 0 HA CYS A 74 10.740 -1.723 3.038 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.594 -0.086 4.422 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.788 0.569 3.319 1.00 0.10 H new ATOM 0 HG CYS A 74 7.320 -1.670 2.505 1.00 0.11 H new ATOM 398 N LYS A 75 10.724 -0.966 6.260 1.00 0.11 N ATOM 399 CA LYS A 75 11.601 -0.579 7.365 1.00 0.12 C ATOM 400 C LYS A 75 12.851 -1.460 7.393 1.00 0.13 C ATOM 401 O LYS A 75 13.891 -1.077 7.928 1.00 0.16 O ATOM 402 CB LYS A 75 10.851 -0.706 8.693 1.00 0.13 C ATOM 403 CG LYS A 75 9.633 0.177 8.796 1.00 0.18 C ATOM 404 CD LYS A 75 8.822 -0.169 10.024 1.00 0.20 C ATOM 405 CE LYS A 75 7.560 0.662 10.096 1.00 0.30 C ATOM 406 NZ LYS A 75 6.730 0.336 11.287 1.00 0.32 N ATOM 0 H LYS A 75 9.775 -1.212 6.541 1.00 0.11 H new ATOM 0 HA LYS A 75 11.906 0.457 7.218 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.547 -1.744 8.829 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.533 -0.464 9.508 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.939 1.222 8.839 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.018 0.061 7.904 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.563 -1.228 10.006 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.422 -0.003 10.919 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.826 1.719 10.121 1.00 0.30 H new ATOM 0 HE3 LYS A 75 6.972 0.502 9.192 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 5.951 1.020 11.365 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.340 -0.623 11.186 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.318 0.382 12.143 1.00 0.32 H new ATOM 420 N MET A 76 12.736 -2.639 6.796 1.00 0.12 N ATOM 421 CA MET A 76 13.826 -3.593 6.746 1.00 0.13 C ATOM 422 C MET A 76 14.752 -3.341 5.553 1.00 0.14 C ATOM 423 O MET A 76 15.966 -3.513 5.663 1.00 0.16 O ATOM 424 CB MET A 76 13.267 -5.018 6.683 1.00 0.14 C ATOM 425 CG MET A 76 12.518 -5.425 7.937 1.00 0.15 C ATOM 426 SD MET A 76 12.225 -7.203 8.034 1.00 0.21 S ATOM 427 CE MET A 76 11.038 -7.416 6.715 1.00 0.40 C ATOM 0 H MET A 76 11.884 -2.957 6.334 1.00 0.12 H new ATOM 0 HA MET A 76 14.417 -3.469 7.653 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.599 -5.101 5.826 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.088 -5.716 6.516 1.00 0.14 H new ATOM 0 HG2 MET A 76 13.085 -5.107 8.812 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.562 -4.902 7.969 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.942 -8.476 6.479 1.00 0.40 H new ATOM 0 HE2 MET A 76 10.070 -7.025 7.030 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.377 -6.877 5.830 1.00 0.40 H new ATOM 437 N GLN A 77 14.187 -2.941 4.415 1.00 0.14 N ATOM 438 CA GLN A 77 14.961 -2.823 3.183 1.00 0.15 C ATOM 439 C GLN A 77 15.182 -1.380 2.707 1.00 0.16 C ATOM 440 O GLN A 77 16.015 -1.144 1.829 1.00 0.22 O ATOM 441 CB GLN A 77 14.288 -3.628 2.075 1.00 0.19 C ATOM 442 CG GLN A 77 12.913 -4.168 2.421 1.00 0.21 C ATOM 443 CD GLN A 77 12.751 -5.618 2.036 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.358 -5.940 0.918 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.038 -6.500 2.976 1.00 0.25 N ATOM 0 H GLN A 77 13.202 -2.695 4.322 1.00 0.14 H new ATOM 0 HA GLN A 77 15.950 -3.219 3.413 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.202 -2.998 1.189 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.935 -4.465 1.810 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.741 -4.058 3.492 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.154 -3.573 1.913 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.361 -6.184 3.890 1.00 0.25 H new ATOM 0 HE22 GLN A 77 12.936 -7.497 2.788 1.00 0.25 H new ATOM 454 N THR A 78 14.457 -0.418 3.257 1.00 0.17 N ATOM 455 CA THR A 78 14.593 0.964 2.809 1.00 0.22 C ATOM 456 C THR A 78 15.389 1.774 3.811 1.00 0.30 C ATOM 457 O THR A 78 14.967 2.848 4.227 1.00 0.32 O ATOM 458 CB THR A 78 13.232 1.666 2.575 1.00 0.17 C ATOM 459 OG1 THR A 78 12.484 1.748 3.793 1.00 0.14 O ATOM 460 CG2 THR A 78 12.412 0.942 1.529 1.00 0.22 C ATOM 0 H THR A 78 13.777 -0.562 4.004 1.00 0.17 H new ATOM 0 HA THR A 78 15.115 0.916 1.853 1.00 0.22 H new ATOM 0 HB THR A 78 13.446 2.673 2.217 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.637 0.940 4.326 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.463 1.460 1.388 1.00 0.22 H new ATOM 0 HG22 THR A 78 12.959 0.924 0.586 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.223 -0.080 1.858 1.00 0.22 H new ATOM 468 N ALA A 79 16.528 1.250 4.224 1.00 0.38 N ATOM 469 CA ALA A 79 17.423 1.972 5.111 1.00 0.50 C ATOM 470 C ALA A 79 17.800 3.332 4.550 1.00 0.52 C ATOM 471 O ALA A 79 17.959 4.299 5.296 1.00 0.55 O ATOM 472 CB ALA A 79 18.669 1.154 5.332 1.00 0.67 C ATOM 0 H ALA A 79 16.857 0.322 3.958 1.00 0.38 H new ATOM 0 HA ALA A 79 16.903 2.136 6.055 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.344 1.692 5.997 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.402 0.198 5.782 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.164 0.980 4.377 1.00 0.67 H new ATOM 478 N ASP A 80 17.943 3.405 3.232 1.00 0.53 N ATOM 479 CA ASP A 80 18.310 4.648 2.570 1.00 0.57 C ATOM 480 C ASP A 80 17.123 5.601 2.534 1.00 0.52 C ATOM 481 O ASP A 80 17.273 6.810 2.354 1.00 0.57 O ATOM 482 CB ASP A 80 18.779 4.351 1.144 1.00 0.65 C ATOM 483 CG ASP A 80 19.379 5.550 0.437 1.00 1.21 C ATOM 484 OD1 ASP A 80 20.581 5.827 0.637 1.00 1.94 O ATOM 485 OD2 ASP A 80 18.640 6.247 -0.287 1.00 1.46 O ATOM 0 H ASP A 80 17.810 2.615 2.601 1.00 0.53 H new ATOM 0 HA ASP A 80 19.119 5.119 3.128 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.518 3.551 1.174 1.00 0.65 H new ATOM 0 HB3 ASP A 80 17.934 3.983 0.562 1.00 0.65 H new ATOM 490 N HIS A 81 15.938 5.041 2.714 1.00 0.43 N ATOM 491 CA HIS A 81 14.711 5.825 2.694 1.00 0.38 C ATOM 492 C HIS A 81 13.769 5.421 3.818 1.00 0.29 C ATOM 493 O HIS A 81 12.698 4.879 3.570 1.00 0.23 O ATOM 494 CB HIS A 81 13.991 5.683 1.352 1.00 0.41 C ATOM 495 CG HIS A 81 14.635 6.452 0.242 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.366 7.779 -0.012 1.00 0.99 N ATOM 497 CD2 HIS A 81 15.542 6.070 -0.684 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.075 8.175 -1.049 1.00 1.08 C ATOM 499 NE2 HIS A 81 15.801 7.160 -1.477 1.00 0.86 N ATOM 0 H HIS A 81 15.798 4.044 2.876 1.00 0.43 H new ATOM 0 HA HIS A 81 14.998 6.866 2.839 1.00 0.38 H new ATOM 0 HB2 HIS A 81 13.955 4.628 1.079 1.00 0.41 H new ATOM 0 HB3 HIS A 81 12.960 6.019 1.465 1.00 0.41 H new ATOM 0 HD1 HIS A 81 13.720 8.363 0.519 1.00 0.99 H new ATOM 0 HD2 HIS A 81 15.982 5.088 -0.782 1.00 0.70 H new ATOM 0 HE1 HIS A 81 15.064 9.166 -1.478 1.00 1.08 H new ATOM 508 N PRO A 82 14.148 5.688 5.075 1.00 0.32 N ATOM 509 CA PRO A 82 13.278 5.432 6.218 1.00 0.29 C ATOM 510 C PRO A 82 12.090 6.385 6.229 1.00 0.26 C ATOM 511 O PRO A 82 11.158 6.234 7.015 1.00 0.29 O ATOM 512 CB PRO A 82 14.179 5.657 7.425 1.00 0.38 C ATOM 513 CG PRO A 82 15.305 6.501 6.947 1.00 0.44 C ATOM 514 CD PRO A 82 15.450 6.241 5.476 1.00 0.41 C ATOM 0 HA PRO A 82 12.848 4.431 6.201 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.636 6.152 8.230 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.543 4.709 7.822 1.00 0.38 H new ATOM 0 HG2 PRO A 82 15.104 7.556 7.135 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.225 6.253 7.476 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.678 7.157 4.931 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.259 5.540 5.274 1.00 0.41 H new ATOM 522 N GLU A 83 12.154 7.370 5.338 1.00 0.23 N ATOM 523 CA GLU A 83 11.065 8.310 5.101 1.00 0.21 C ATOM 524 C GLU A 83 9.964 7.650 4.274 1.00 0.17 C ATOM 525 O GLU A 83 8.828 8.118 4.240 1.00 0.18 O ATOM 526 CB GLU A 83 11.605 9.517 4.342 1.00 0.28 C ATOM 527 CG GLU A 83 11.669 9.265 2.854 1.00 0.46 C ATOM 528 CD GLU A 83 12.538 10.245 2.102 1.00 0.55 C ATOM 529 OE1 GLU A 83 12.174 11.435 2.013 1.00 1.01 O ATOM 530 OE2 GLU A 83 13.598 9.822 1.597 1.00 0.95 O ATOM 0 H GLU A 83 12.973 7.539 4.754 1.00 0.23 H new ATOM 0 HA GLU A 83 10.650 8.622 6.059 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.971 10.382 4.537 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.601 9.762 4.712 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.045 8.256 2.683 1.00 0.46 H new ATOM 0 HG3 GLU A 83 10.659 9.303 2.446 1.00 0.46 H new ATOM 537 N VAL A 84 10.324 6.564 3.604 1.00 0.15 N ATOM 538 CA VAL A 84 9.428 5.874 2.703 1.00 0.14 C ATOM 539 C VAL A 84 8.243 5.288 3.447 1.00 0.11 C ATOM 540 O VAL A 84 7.128 5.298 2.948 1.00 0.11 O ATOM 541 CB VAL A 84 10.194 4.787 1.919 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.351 3.563 1.673 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.701 5.350 0.606 1.00 0.21 C ATOM 0 H VAL A 84 11.249 6.140 3.674 1.00 0.15 H new ATOM 0 HA VAL A 84 9.033 6.597 1.989 1.00 0.14 H new ATOM 0 HB VAL A 84 11.041 4.478 2.531 1.00 0.15 H new ATOM 0 HG11 VAL A 84 9.932 2.826 1.118 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.041 3.137 2.627 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.469 3.839 1.095 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.240 4.575 0.061 1.00 0.21 H new ATOM 0 HG22 VAL A 84 9.857 5.694 0.008 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.371 6.187 0.803 1.00 0.21 H new ATOM 553 N VAL A 85 8.490 4.792 4.641 1.00 0.09 N ATOM 554 CA VAL A 85 7.432 4.273 5.476 1.00 0.09 C ATOM 555 C VAL A 85 6.431 5.356 5.871 1.00 0.10 C ATOM 556 O VAL A 85 5.243 5.188 5.660 1.00 0.10 O ATOM 557 CB VAL A 85 8.017 3.584 6.706 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.940 3.300 7.728 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.733 2.323 6.265 1.00 0.11 C ATOM 0 H VAL A 85 9.420 4.738 5.055 1.00 0.09 H new ATOM 0 HA VAL A 85 6.881 3.534 4.894 1.00 0.09 H new ATOM 0 HB VAL A 85 8.738 4.241 7.192 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.382 2.809 8.595 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.477 4.237 8.038 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.184 2.649 7.289 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.156 1.821 7.135 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.026 1.657 5.770 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.533 2.582 5.572 1.00 0.11 H new ATOM 569 N PRO A 86 6.885 6.466 6.467 1.00 0.12 N ATOM 570 CA PRO A 86 6.037 7.631 6.705 1.00 0.14 C ATOM 571 C PRO A 86 5.314 8.087 5.438 1.00 0.14 C ATOM 572 O PRO A 86 4.152 8.467 5.484 1.00 0.18 O ATOM 573 CB PRO A 86 6.994 8.723 7.169 1.00 0.18 C ATOM 574 CG PRO A 86 8.322 8.080 7.380 1.00 0.18 C ATOM 575 CD PRO A 86 8.227 6.631 7.008 1.00 0.14 C ATOM 0 HA PRO A 86 5.259 7.401 7.433 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.064 9.516 6.425 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.637 9.182 8.091 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.081 8.575 6.774 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.629 8.182 8.421 1.00 0.18 H new ATOM 0 HD2 PRO A 86 8.985 6.362 6.272 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.384 5.990 7.876 1.00 0.14 H new ATOM 583 N PHE A 87 6.009 8.016 4.306 1.00 0.13 N ATOM 584 CA PHE A 87 5.462 8.416 3.014 1.00 0.14 C ATOM 585 C PHE A 87 4.426 7.397 2.551 1.00 0.12 C ATOM 586 O PHE A 87 3.430 7.743 1.908 1.00 0.12 O ATOM 587 CB PHE A 87 6.601 8.519 2.002 1.00 0.18 C ATOM 588 CG PHE A 87 6.295 9.385 0.833 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.455 8.923 -0.133 1.00 0.35 C ATOM 590 CD2 PHE A 87 6.849 10.644 0.703 1.00 0.85 C ATOM 591 CE1 PHE A 87 5.147 9.691 -1.236 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.553 11.429 -0.394 1.00 1.01 C ATOM 593 CZ PHE A 87 5.698 10.951 -1.368 1.00 0.69 C ATOM 0 H PHE A 87 6.970 7.678 4.259 1.00 0.13 H new ATOM 0 HA PHE A 87 4.973 9.386 3.103 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.487 8.906 2.506 1.00 0.18 H new ATOM 0 HB3 PHE A 87 6.848 7.519 1.646 1.00 0.18 H new ATOM 0 HD1 PHE A 87 5.022 7.938 -0.034 1.00 0.35 H new ATOM 0 HD2 PHE A 87 7.518 11.017 1.464 1.00 0.85 H new ATOM 0 HE1 PHE A 87 4.478 9.309 -1.993 1.00 0.43 H new ATOM 0 HE2 PHE A 87 6.988 12.413 -0.490 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.461 11.559 -2.228 1.00 0.69 H new ATOM 603 N LEU A 88 4.650 6.153 2.942 1.00 0.10 N ATOM 604 CA LEU A 88 3.759 5.057 2.637 1.00 0.09 C ATOM 605 C LEU A 88 2.550 5.191 3.510 1.00 0.08 C ATOM 606 O LEU A 88 1.406 5.147 3.054 1.00 0.09 O ATOM 607 CB LEU A 88 4.447 3.738 2.956 1.00 0.09 C ATOM 608 CG LEU A 88 4.932 2.946 1.762 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.773 1.783 2.224 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.759 2.452 0.952 1.00 0.10 C ATOM 0 H LEU A 88 5.467 5.878 3.487 1.00 0.10 H new ATOM 0 HA LEU A 88 3.484 5.077 1.582 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.299 3.941 3.604 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.755 3.116 3.524 1.00 0.09 H new ATOM 0 HG LEU A 88 5.541 3.594 1.132 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.119 1.217 1.359 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.633 2.155 2.782 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.176 1.135 2.866 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.122 1.884 0.096 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.132 1.812 1.573 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.175 3.303 0.602 1.00 0.10 H new ATOM 622 N TYR A 89 2.847 5.375 4.784 1.00 0.08 N ATOM 623 CA TYR A 89 1.866 5.529 5.810 1.00 0.09 C ATOM 624 C TYR A 89 0.946 6.675 5.463 1.00 0.09 C ATOM 625 O TYR A 89 -0.261 6.545 5.479 1.00 0.11 O ATOM 626 CB TYR A 89 2.576 5.834 7.130 1.00 0.10 C ATOM 627 CG TYR A 89 2.279 4.849 8.204 1.00 0.13 C ATOM 628 CD1 TYR A 89 0.999 4.393 8.364 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.266 4.383 9.051 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.681 3.489 9.337 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.974 3.474 10.037 1.00 0.20 C ATOM 632 CZ TYR A 89 1.673 3.023 10.182 1.00 0.22 C ATOM 633 OH TYR A 89 1.369 2.107 11.162 1.00 0.27 O ATOM 0 H TYR A 89 3.806 5.421 5.129 1.00 0.08 H new ATOM 0 HA TYR A 89 1.282 4.613 5.902 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.652 5.858 6.958 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.285 6.828 7.469 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.223 4.756 7.706 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.279 4.738 8.936 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.336 3.141 9.446 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.752 3.114 10.694 1.00 0.20 H new ATOM 0 HH TYR A 89 2.180 1.885 11.665 1.00 0.27 H new ATOM 643 N ASN A 90 1.567 7.789 5.135 1.00 0.09 N ATOM 644 CA ASN A 90 0.891 8.994 4.692 1.00 0.09 C ATOM 645 C ASN A 90 -0.064 8.712 3.551 1.00 0.09 C ATOM 646 O ASN A 90 -1.253 8.977 3.665 1.00 0.10 O ATOM 647 CB ASN A 90 1.972 9.995 4.295 1.00 0.11 C ATOM 648 CG ASN A 90 1.538 11.055 3.317 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.908 12.041 3.685 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.936 10.882 2.069 1.00 0.40 N ATOM 0 H ASN A 90 2.582 7.885 5.170 1.00 0.09 H new ATOM 0 HA ASN A 90 0.276 9.402 5.494 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.340 10.484 5.197 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.811 9.448 3.864 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.721 11.586 1.363 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.458 10.044 1.812 1.00 0.40 H new ATOM 657 N ARG A 91 0.456 8.165 2.464 1.00 0.08 N ATOM 658 CA ARG A 91 -0.370 7.796 1.316 1.00 0.10 C ATOM 659 C ARG A 91 -1.546 6.926 1.743 1.00 0.09 C ATOM 660 O ARG A 91 -2.674 7.133 1.310 1.00 0.11 O ATOM 661 CB ARG A 91 0.469 7.049 0.279 1.00 0.13 C ATOM 662 CG ARG A 91 1.393 7.941 -0.521 1.00 0.16 C ATOM 663 CD ARG A 91 0.610 8.925 -1.375 1.00 0.29 C ATOM 664 NE ARG A 91 1.495 9.861 -2.066 1.00 0.88 N ATOM 665 CZ ARG A 91 1.646 11.140 -1.729 1.00 1.05 C ATOM 666 NH1 ARG A 91 0.914 11.668 -0.754 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.519 11.895 -2.379 1.00 1.64 N ATOM 0 H ARG A 91 1.449 7.964 2.348 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.759 8.714 0.875 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.063 6.289 0.786 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.199 6.527 -0.406 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.051 8.487 0.156 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.030 7.329 -1.160 1.00 0.16 H new ATOM 0 HD2 ARG A 91 0.014 8.379 -2.107 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.087 9.479 -0.746 1.00 0.29 H new ATOM 0 HE ARG A 91 2.033 9.511 -2.859 1.00 0.88 H new ATOM 0 HH11 ARG A 91 0.232 11.093 -0.259 1.00 1.35 H new ATOM 0 HH12 ARG A 91 1.034 12.649 -0.500 1.00 1.35 H new ATOM 0 HH21 ARG A 91 3.074 11.496 -3.136 1.00 1.64 H new ATOM 0 HH22 ARG A 91 2.636 12.875 -2.122 1.00 1.64 H new ATOM 681 N GLN A 92 -1.258 5.966 2.602 1.00 0.09 N ATOM 682 CA GLN A 92 -2.249 5.023 3.101 1.00 0.12 C ATOM 683 C GLN A 92 -3.266 5.721 4.005 1.00 0.11 C ATOM 684 O GLN A 92 -4.473 5.568 3.842 1.00 0.13 O ATOM 685 CB GLN A 92 -1.502 3.945 3.872 1.00 0.18 C ATOM 686 CG GLN A 92 -2.094 2.554 3.784 1.00 0.35 C ATOM 687 CD GLN A 92 -3.093 2.252 4.874 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.104 2.887 5.926 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.861 1.209 4.654 1.00 0.36 N ATOM 0 H GLN A 92 -0.322 5.815 2.978 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.806 4.588 2.271 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.475 3.908 3.508 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.458 4.237 4.921 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -2.579 2.435 2.815 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.288 1.822 3.829 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.811 0.718 3.761 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.507 0.890 5.376 1.00 0.36 H new ATOM 698 N GLN A 93 -2.750 6.500 4.944 1.00 0.12 N ATOM 699 CA GLN A 93 -3.561 7.223 5.916 1.00 0.14 C ATOM 700 C GLN A 93 -4.458 8.259 5.242 1.00 0.16 C ATOM 701 O GLN A 93 -5.555 8.552 5.717 1.00 0.20 O ATOM 702 CB GLN A 93 -2.654 7.913 6.944 1.00 0.15 C ATOM 703 CG GLN A 93 -1.984 6.960 7.922 1.00 0.15 C ATOM 704 CD GLN A 93 -2.941 5.972 8.551 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.570 6.251 9.572 1.00 0.28 O ATOM 706 NE2 GLN A 93 -3.015 4.793 7.968 1.00 0.22 N ATOM 0 H GLN A 93 -1.747 6.650 5.055 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.203 6.499 6.418 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.884 8.473 6.414 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.245 8.636 7.506 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.198 6.412 7.403 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.502 7.539 8.710 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.475 4.607 7.123 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.612 4.066 8.362 1.00 0.22 H new ATOM 715 N ARG A 94 -3.980 8.819 4.139 1.00 0.14 N ATOM 716 CA ARG A 94 -4.719 9.848 3.420 1.00 0.15 C ATOM 717 C ARG A 94 -5.564 9.246 2.299 1.00 0.14 C ATOM 718 O ARG A 94 -6.312 9.949 1.614 1.00 0.19 O ATOM 719 CB ARG A 94 -3.743 10.867 2.851 1.00 0.21 C ATOM 720 CG ARG A 94 -2.993 10.373 1.631 1.00 0.76 C ATOM 721 CD ARG A 94 -1.633 11.036 1.502 1.00 0.64 C ATOM 722 NE ARG A 94 -1.703 12.499 1.469 1.00 0.86 N ATOM 723 CZ ARG A 94 -2.104 13.223 0.420 1.00 1.04 C ATOM 724 NH1 ARG A 94 -2.664 12.641 -0.635 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.967 14.540 0.444 1.00 1.40 N ATOM 0 H ARG A 94 -3.081 8.577 3.722 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.397 10.338 4.119 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.289 11.774 2.589 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.024 11.140 3.623 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.867 9.292 1.694 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.582 10.573 0.736 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.005 10.728 2.338 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -1.148 10.682 0.592 1.00 0.64 H new ATOM 0 HE ARG A 94 -1.424 13.003 2.311 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -2.792 11.629 -0.651 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -2.965 13.206 -1.429 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -1.558 14.995 1.260 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -2.271 15.099 -0.353 1.00 1.40 H new ATOM 739 N ALA A 95 -5.422 7.949 2.099 1.00 0.12 N ATOM 740 CA ALA A 95 -6.177 7.249 1.069 1.00 0.12 C ATOM 741 C ALA A 95 -7.616 7.042 1.503 1.00 0.13 C ATOM 742 O ALA A 95 -7.955 7.195 2.677 1.00 0.17 O ATOM 743 CB ALA A 95 -5.534 5.913 0.737 1.00 0.13 C ATOM 0 H ALA A 95 -4.790 7.355 2.636 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.169 7.868 0.172 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.117 5.410 -0.035 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.519 6.078 0.375 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.504 5.291 1.632 1.00 0.13 H new ATOM 749 N HIS A 96 -8.465 6.704 0.547 1.00 0.12 N ATOM 750 CA HIS A 96 -9.867 6.465 0.822 1.00 0.13 C ATOM 751 C HIS A 96 -10.021 5.194 1.628 1.00 0.13 C ATOM 752 O HIS A 96 -9.599 4.130 1.191 1.00 0.12 O ATOM 753 CB HIS A 96 -10.630 6.323 -0.487 1.00 0.14 C ATOM 754 CG HIS A 96 -12.060 6.720 -0.378 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.872 6.184 0.583 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.764 7.618 -1.106 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.045 6.759 0.423 1.00 0.23 C ATOM 758 NE2 HIS A 96 -14.032 7.638 -0.588 1.00 0.25 N ATOM 0 H HIS A 96 -8.203 6.589 -0.432 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.266 7.306 1.388 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.147 6.934 -1.250 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.572 5.288 -0.824 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.397 8.205 -1.935 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.912 6.548 1.032 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.813 8.210 -0.909 1.00 0.25 H new ATOM 766 N SER A 97 -10.611 5.315 2.809 1.00 0.16 N ATOM 767 CA SER A 97 -10.867 4.162 3.656 1.00 0.20 C ATOM 768 C SER A 97 -11.683 3.100 2.919 1.00 0.18 C ATOM 769 O SER A 97 -11.510 1.909 3.160 1.00 0.18 O ATOM 770 CB SER A 97 -11.593 4.601 4.925 1.00 0.29 C ATOM 771 OG SER A 97 -10.936 5.707 5.526 1.00 1.32 O ATOM 0 H SER A 97 -10.922 6.204 3.202 1.00 0.16 H new ATOM 0 HA SER A 97 -9.909 3.718 3.925 1.00 0.20 H new ATOM 0 HB2 SER A 97 -12.622 4.870 4.686 1.00 0.29 H new ATOM 0 HB3 SER A 97 -11.636 3.771 5.630 1.00 0.29 H new ATOM 0 HG SER A 97 -11.418 5.973 6.336 1.00 1.32 H new ATOM 777 N LEU A 98 -12.580 3.529 2.030 1.00 0.18 N ATOM 778 CA LEU A 98 -13.298 2.602 1.163 1.00 0.18 C ATOM 779 C LEU A 98 -12.338 1.819 0.294 1.00 0.15 C ATOM 780 O LEU A 98 -12.475 0.614 0.125 1.00 0.18 O ATOM 781 CB LEU A 98 -14.256 3.350 0.253 1.00 0.21 C ATOM 782 CG LEU A 98 -15.591 3.737 0.873 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.485 4.348 -0.189 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.263 2.530 1.513 1.00 0.61 C ATOM 0 H LEU A 98 -12.824 4.510 1.894 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.851 1.920 1.809 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.762 4.257 -0.096 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.449 2.734 -0.625 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.416 4.473 1.658 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.441 4.625 0.255 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.006 5.236 -0.601 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.652 3.623 -0.985 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.215 2.832 1.949 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.437 1.766 0.755 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.618 2.126 2.294 1.00 0.61 H new ATOM 796 N PHE A 99 -11.365 2.530 -0.242 1.00 0.12 N ATOM 797 CA PHE A 99 -10.361 1.926 -1.106 1.00 0.11 C ATOM 798 C PHE A 99 -9.433 1.033 -0.294 1.00 0.11 C ATOM 799 O PHE A 99 -9.081 -0.067 -0.716 1.00 0.12 O ATOM 800 CB PHE A 99 -9.541 2.993 -1.830 1.00 0.12 C ATOM 801 CG PHE A 99 -8.337 2.424 -2.513 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.488 1.518 -3.540 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.059 2.782 -2.119 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.390 0.970 -4.170 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.954 2.243 -2.743 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.121 1.333 -3.771 1.00 0.18 C ATOM 0 H PHE A 99 -11.246 3.532 -0.095 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.882 1.325 -1.851 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.170 3.493 -2.566 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.224 3.751 -1.114 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.480 1.233 -3.856 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.926 3.491 -1.315 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.524 0.260 -4.972 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.961 2.530 -2.430 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.258 0.907 -4.261 1.00 0.18 H new ATOM 816 N LEU A 100 -9.044 1.510 0.877 1.00 0.12 N ATOM 817 CA LEU A 100 -8.197 0.743 1.774 1.00 0.14 C ATOM 818 C LEU A 100 -8.914 -0.524 2.208 1.00 0.16 C ATOM 819 O LEU A 100 -8.292 -1.519 2.546 1.00 0.21 O ATOM 820 CB LEU A 100 -7.827 1.593 2.986 1.00 0.17 C ATOM 821 CG LEU A 100 -7.134 2.906 2.652 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.287 3.894 3.792 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.673 2.654 2.356 1.00 0.22 C ATOM 0 H LEU A 100 -9.304 2.431 1.230 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.282 0.460 1.253 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.733 1.809 3.552 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.176 1.010 3.637 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.602 3.337 1.767 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.785 4.827 3.535 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.345 4.088 3.966 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.841 3.479 4.696 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.182 3.598 2.118 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.197 2.208 3.229 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.585 1.975 1.508 1.00 0.22 H new ATOM 835 N ALA A 101 -10.237 -0.486 2.168 1.00 0.16 N ATOM 836 CA ALA A 101 -11.038 -1.653 2.492 1.00 0.19 C ATOM 837 C ALA A 101 -11.589 -2.302 1.233 1.00 0.21 C ATOM 838 O ALA A 101 -12.415 -3.209 1.306 1.00 0.37 O ATOM 839 CB ALA A 101 -12.177 -1.280 3.429 1.00 0.23 C ATOM 0 H ALA A 101 -10.777 0.341 1.914 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.391 -2.372 2.995 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -12.765 -2.169 3.659 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -11.769 -0.866 4.351 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -12.815 -0.538 2.949 1.00 0.23 H new ATOM 845 N SER A 102 -11.118 -1.854 0.078 1.00 0.13 N ATOM 846 CA SER A 102 -11.633 -2.361 -1.181 1.00 0.15 C ATOM 847 C SER A 102 -10.752 -3.482 -1.708 1.00 0.17 C ATOM 848 O SER A 102 -9.575 -3.600 -1.345 1.00 0.25 O ATOM 849 CB SER A 102 -11.747 -1.241 -2.219 1.00 0.18 C ATOM 850 OG SER A 102 -10.481 -0.897 -2.759 1.00 1.40 O ATOM 0 H SER A 102 -10.388 -1.148 -0.011 1.00 0.13 H new ATOM 0 HA SER A 102 -12.631 -2.759 -0.998 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.412 -1.556 -3.023 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.197 -0.362 -1.758 1.00 0.18 H new ATOM 0 HG SER A 102 -9.867 -0.664 -2.031 1.00 1.40 H new ATOM 856 N ALA A 103 -11.346 -4.307 -2.550 1.00 0.20 N ATOM 857 CA ALA A 103 -10.658 -5.426 -3.165 1.00 0.21 C ATOM 858 C ALA A 103 -9.437 -4.981 -3.961 1.00 0.18 C ATOM 859 O ALA A 103 -8.431 -5.687 -4.000 1.00 0.19 O ATOM 860 CB ALA A 103 -11.617 -6.173 -4.064 1.00 0.27 C ATOM 0 H ALA A 103 -12.324 -4.219 -2.828 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.305 -6.081 -2.368 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -11.101 -7.014 -4.527 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.456 -6.542 -3.474 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.986 -5.502 -4.840 1.00 0.27 H new ATOM 866 N GLU A 104 -9.530 -3.818 -4.601 1.00 0.17 N ATOM 867 CA GLU A 104 -8.436 -3.319 -5.430 1.00 0.17 C ATOM 868 C GLU A 104 -7.146 -3.178 -4.634 1.00 0.14 C ATOM 869 O GLU A 104 -6.086 -3.590 -5.101 1.00 0.14 O ATOM 870 CB GLU A 104 -8.772 -1.980 -6.057 1.00 0.22 C ATOM 871 CG GLU A 104 -7.852 -1.630 -7.214 1.00 0.30 C ATOM 872 CD GLU A 104 -8.068 -0.230 -7.763 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.235 0.147 -8.014 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.078 0.520 -7.901 1.00 1.70 O ATOM 0 H GLU A 104 -10.346 -3.207 -4.562 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.292 -4.058 -6.219 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.803 -1.997 -6.410 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.707 -1.201 -5.298 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.817 -1.727 -6.886 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -8.001 -2.353 -8.016 1.00 0.30 H new ATOM 881 N PHE A 105 -7.222 -2.615 -3.434 1.00 0.13 N ATOM 882 CA PHE A 105 -6.024 -2.409 -2.638 1.00 0.13 C ATOM 883 C PHE A 105 -5.466 -3.755 -2.214 1.00 0.12 C ATOM 884 O PHE A 105 -4.258 -3.937 -2.156 1.00 0.13 O ATOM 885 CB PHE A 105 -6.318 -1.536 -1.413 1.00 0.13 C ATOM 886 CG PHE A 105 -5.077 -1.087 -0.695 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.945 -0.771 -1.418 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.037 -0.977 0.689 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.792 -0.352 -0.787 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.884 -0.558 1.326 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.761 -0.244 0.584 1.00 0.14 C ATOM 0 H PHE A 105 -8.088 -2.298 -2.998 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.284 -1.885 -3.243 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.885 -0.660 -1.727 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.949 -2.093 -0.721 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.962 -0.853 -2.495 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.913 -1.221 1.272 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.915 -0.109 -1.369 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.861 -0.476 2.403 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.860 0.086 1.080 1.00 0.14 H new ATOM 901 N CYS A 106 -6.362 -4.700 -1.949 1.00 0.13 N ATOM 902 CA CYS A 106 -5.960 -6.062 -1.636 1.00 0.15 C ATOM 903 C CYS A 106 -5.193 -6.647 -2.804 1.00 0.15 C ATOM 904 O CYS A 106 -4.127 -7.237 -2.637 1.00 0.16 O ATOM 905 CB CYS A 106 -7.184 -6.933 -1.332 1.00 0.19 C ATOM 906 SG CYS A 106 -6.801 -8.690 -1.157 1.00 0.29 S ATOM 0 H CYS A 106 -7.370 -4.546 -1.945 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.322 -6.042 -0.752 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.651 -6.579 -0.413 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.915 -6.808 -2.130 1.00 0.19 H new ATOM 0 HG CYS A 106 -6.724 -8.994 0.105 1.00 0.29 H new ATOM 912 N ASN A 107 -5.762 -6.471 -3.985 1.00 0.14 N ATOM 913 CA ASN A 107 -5.148 -6.895 -5.233 1.00 0.16 C ATOM 914 C ASN A 107 -3.742 -6.339 -5.347 1.00 0.15 C ATOM 915 O ASN A 107 -2.769 -7.076 -5.468 1.00 0.17 O ATOM 916 CB ASN A 107 -5.980 -6.371 -6.402 1.00 0.18 C ATOM 917 CG ASN A 107 -6.350 -7.449 -7.404 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.641 -8.441 -7.564 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.470 -7.258 -8.085 1.00 0.34 N ATOM 0 H ASN A 107 -6.672 -6.026 -4.106 1.00 0.14 H new ATOM 0 HA ASN A 107 -5.105 -7.984 -5.252 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.892 -5.915 -6.015 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.423 -5.585 -6.913 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.773 -7.948 -8.772 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -8.030 -6.421 -7.922 1.00 0.34 H new ATOM 926 N ILE A 108 -3.663 -5.026 -5.240 1.00 0.13 N ATOM 927 CA ILE A 108 -2.430 -4.282 -5.417 1.00 0.13 C ATOM 928 C ILE A 108 -1.401 -4.664 -4.360 1.00 0.11 C ATOM 929 O ILE A 108 -0.235 -4.908 -4.666 1.00 0.12 O ATOM 930 CB ILE A 108 -2.767 -2.783 -5.326 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.569 -2.357 -6.555 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.525 -1.932 -5.154 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.345 -1.075 -6.360 1.00 0.17 C ATOM 0 H ILE A 108 -4.467 -4.437 -5.024 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.993 -4.516 -6.388 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.376 -2.625 -4.436 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.888 -2.235 -7.397 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.263 -3.155 -6.819 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.809 -0.881 -5.094 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -1.010 -2.221 -4.238 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.861 -2.080 -6.006 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.889 -0.836 -7.274 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.051 -1.198 -5.539 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.655 -0.264 -6.126 1.00 0.17 H new ATOM 945 N LEU A 109 -1.862 -4.729 -3.128 1.00 0.09 N ATOM 946 CA LEU A 109 -1.037 -5.097 -1.992 1.00 0.08 C ATOM 947 C LEU A 109 -0.461 -6.487 -2.134 1.00 0.09 C ATOM 948 O LEU A 109 0.748 -6.694 -2.029 1.00 0.10 O ATOM 949 CB LEU A 109 -1.882 -5.026 -0.744 1.00 0.08 C ATOM 950 CG LEU A 109 -1.823 -3.682 -0.041 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.761 -3.665 1.126 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.416 -3.376 0.420 1.00 0.07 C ATOM 0 H LEU A 109 -2.831 -4.526 -2.883 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.199 -4.403 -1.936 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.918 -5.244 -1.005 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.557 -5.803 -0.052 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.127 -2.913 -0.752 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.708 -2.695 1.621 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.779 -3.840 0.777 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.479 -4.448 1.831 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.400 -2.408 0.921 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.084 -4.149 1.113 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.252 -3.350 -0.441 1.00 0.07 H new ATOM 964 N SER A 110 -1.337 -7.429 -2.379 1.00 0.10 N ATOM 965 CA SER A 110 -0.949 -8.813 -2.522 1.00 0.12 C ATOM 966 C SER A 110 0.053 -8.957 -3.655 1.00 0.12 C ATOM 967 O SER A 110 0.981 -9.763 -3.579 1.00 0.14 O ATOM 968 CB SER A 110 -2.173 -9.666 -2.780 1.00 0.15 C ATOM 969 OG SER A 110 -3.105 -9.573 -1.711 1.00 1.15 O ATOM 0 H SER A 110 -2.337 -7.260 -2.485 1.00 0.10 H new ATOM 0 HA SER A 110 -0.478 -9.152 -1.599 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.649 -9.350 -3.708 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.873 -10.705 -2.913 1.00 0.15 H new ATOM 0 HG SER A 110 -3.649 -8.765 -1.821 1.00 1.15 H new ATOM 975 N ARG A 111 -0.138 -8.156 -4.699 1.00 0.11 N ATOM 976 CA ARG A 111 0.809 -8.086 -5.792 1.00 0.12 C ATOM 977 C ARG A 111 2.184 -7.673 -5.288 1.00 0.11 C ATOM 978 O ARG A 111 3.156 -8.413 -5.428 1.00 0.13 O ATOM 979 CB ARG A 111 0.353 -7.060 -6.826 1.00 0.16 C ATOM 980 CG ARG A 111 -0.867 -7.448 -7.627 1.00 0.26 C ATOM 981 CD ARG A 111 -0.840 -6.823 -9.016 1.00 0.99 C ATOM 982 NE ARG A 111 -0.258 -5.475 -9.015 1.00 1.81 N ATOM 983 CZ ARG A 111 -0.310 -4.640 -10.056 1.00 2.57 C ATOM 984 NH1 ARG A 111 -1.024 -4.954 -11.130 1.00 2.67 N ATOM 985 NH2 ARG A 111 0.340 -3.479 -10.022 1.00 3.55 N ATOM 0 H ARG A 111 -0.948 -7.545 -4.805 1.00 0.11 H new ATOM 0 HA ARG A 111 0.863 -9.076 -6.244 1.00 0.12 H new ATOM 0 HB2 ARG A 111 0.147 -6.120 -6.314 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.176 -6.874 -7.516 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.916 -8.533 -7.715 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.767 -7.130 -7.100 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -0.267 -7.462 -9.687 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -1.855 -6.777 -9.410 1.00 0.99 H new ATOM 0 HE ARG A 111 0.214 -5.157 -8.169 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -1.536 -5.836 -11.162 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -1.061 -4.313 -11.923 1.00 2.67 H new ATOM 0 HH21 ARG A 111 0.882 -3.222 -9.197 1.00 3.55 H new ATOM 0 HH22 ARG A 111 0.296 -2.846 -10.821 1.00 3.55 H new ATOM 999 N VAL A 112 2.249 -6.503 -4.660 1.00 0.10 N ATOM 1000 CA VAL A 112 3.529 -5.878 -4.363 1.00 0.10 C ATOM 1001 C VAL A 112 4.285 -6.600 -3.280 1.00 0.11 C ATOM 1002 O VAL A 112 5.476 -6.796 -3.408 1.00 0.12 O ATOM 1003 CB VAL A 112 3.401 -4.392 -3.968 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.227 -3.533 -5.191 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.253 -4.160 -3.012 1.00 0.10 C ATOM 0 H VAL A 112 1.435 -5.973 -4.349 1.00 0.10 H new ATOM 0 HA VAL A 112 4.087 -5.943 -5.297 1.00 0.10 H new ATOM 0 HB VAL A 112 4.324 -4.114 -3.459 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.138 -2.488 -4.892 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.091 -3.652 -5.845 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.325 -3.836 -5.723 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.198 -3.101 -2.759 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.320 -4.470 -3.482 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.412 -4.742 -2.104 1.00 0.10 H new ATOM 1015 N LEU A 113 3.604 -6.992 -2.222 1.00 0.10 N ATOM 1016 CA LEU A 113 4.257 -7.676 -1.118 1.00 0.11 C ATOM 1017 C LEU A 113 4.966 -8.934 -1.583 1.00 0.12 C ATOM 1018 O LEU A 113 6.148 -9.150 -1.306 1.00 0.14 O ATOM 1019 CB LEU A 113 3.240 -8.026 -0.058 1.00 0.11 C ATOM 1020 CG LEU A 113 3.141 -6.989 1.037 1.00 0.12 C ATOM 1021 CD1 LEU A 113 2.023 -6.013 0.744 1.00 0.31 C ATOM 1022 CD2 LEU A 113 2.970 -7.650 2.386 1.00 0.28 C ATOM 0 H LEU A 113 2.601 -6.850 -2.101 1.00 0.10 H new ATOM 0 HA LEU A 113 5.006 -7.002 -0.702 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.263 -8.145 -0.526 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.501 -8.988 0.384 1.00 0.11 H new ATOM 0 HG LEU A 113 4.072 -6.423 1.068 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.967 -5.274 1.543 1.00 0.31 H new ATOM 0 HD12 LEU A 113 2.218 -5.510 -0.203 1.00 0.31 H new ATOM 0 HD13 LEU A 113 1.077 -6.551 0.680 1.00 0.31 H new ATOM 0 HD21 LEU A 113 2.901 -6.885 3.160 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.059 -8.249 2.385 1.00 0.28 H new ATOM 0 HD23 LEU A 113 3.827 -8.293 2.587 1.00 0.28 H new ATOM 1034 N SER A 114 4.214 -9.753 -2.279 1.00 0.13 N ATOM 1035 CA SER A 114 4.721 -10.996 -2.850 1.00 0.15 C ATOM 1036 C SER A 114 5.918 -10.724 -3.764 1.00 0.15 C ATOM 1037 O SER A 114 6.922 -11.440 -3.724 1.00 0.17 O ATOM 1038 CB SER A 114 3.613 -11.706 -3.630 1.00 0.17 C ATOM 1039 OG SER A 114 2.444 -11.843 -2.837 1.00 1.00 O ATOM 0 H SER A 114 3.227 -9.583 -2.471 1.00 0.13 H new ATOM 0 HA SER A 114 5.051 -11.640 -2.035 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.380 -11.143 -4.534 1.00 0.17 H new ATOM 0 HB3 SER A 114 3.959 -12.690 -3.948 1.00 0.17 H new ATOM 0 HG SER A 114 1.736 -11.267 -3.195 1.00 1.00 H new ATOM 1045 N ARG A 115 5.807 -9.667 -4.561 1.00 0.13 N ATOM 1046 CA ARG A 115 6.885 -9.250 -5.452 1.00 0.14 C ATOM 1047 C ARG A 115 8.048 -8.677 -4.647 1.00 0.14 C ATOM 1048 O ARG A 115 9.207 -8.857 -4.996 1.00 0.18 O ATOM 1049 CB ARG A 115 6.363 -8.197 -6.442 1.00 0.17 C ATOM 1050 CG ARG A 115 5.398 -8.756 -7.469 1.00 0.24 C ATOM 1051 CD ARG A 115 4.538 -7.675 -8.111 1.00 0.35 C ATOM 1052 NE ARG A 115 5.294 -6.642 -8.810 1.00 0.84 N ATOM 1053 CZ ARG A 115 4.843 -5.396 -8.977 1.00 1.19 C ATOM 1054 NH1 ARG A 115 3.673 -5.040 -8.465 1.00 1.20 N ATOM 1055 NH2 ARG A 115 5.555 -4.511 -9.661 1.00 1.83 N ATOM 0 H ARG A 115 4.975 -9.079 -4.608 1.00 0.13 H new ATOM 0 HA ARG A 115 7.240 -10.119 -6.006 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.868 -7.401 -5.886 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.210 -7.745 -6.959 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.959 -9.277 -8.244 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.753 -9.494 -6.992 1.00 0.24 H new ATOM 0 HD2 ARG A 115 3.851 -8.144 -8.815 1.00 0.35 H new ATOM 0 HD3 ARG A 115 3.931 -7.204 -7.338 1.00 0.35 H new ATOM 0 HE ARG A 115 6.210 -6.882 -9.189 1.00 0.84 H new ATOM 0 HH11 ARG A 115 3.117 -5.718 -7.943 1.00 1.20 H new ATOM 0 HH12 ARG A 115 3.329 -4.088 -8.593 1.00 1.20 H new ATOM 0 HH21 ARG A 115 6.453 -4.780 -10.063 1.00 1.83 H new ATOM 0 HH22 ARG A 115 5.205 -3.561 -9.785 1.00 1.83 H new ATOM 1069 N ALA A 116 7.707 -7.982 -3.572 1.00 0.13 N ATOM 1070 CA ALA A 116 8.683 -7.284 -2.735 1.00 0.14 C ATOM 1071 C ALA A 116 9.610 -8.249 -2.007 1.00 0.16 C ATOM 1072 O ALA A 116 10.816 -8.039 -1.960 1.00 0.18 O ATOM 1073 CB ALA A 116 7.960 -6.371 -1.752 1.00 0.15 C ATOM 0 H ALA A 116 6.744 -7.883 -3.251 1.00 0.13 H new ATOM 0 HA ALA A 116 9.313 -6.679 -3.387 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.691 -5.853 -1.131 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.369 -5.639 -2.302 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.302 -6.966 -1.119 1.00 0.15 H new ATOM 1079 N ARG A 117 9.047 -9.307 -1.449 1.00 0.19 N ATOM 1080 CA ARG A 117 9.852 -10.302 -0.750 1.00 0.24 C ATOM 1081 C ARG A 117 10.767 -11.051 -1.708 1.00 0.26 C ATOM 1082 O ARG A 117 11.835 -11.530 -1.327 1.00 0.32 O ATOM 1083 CB ARG A 117 8.967 -11.285 0.001 1.00 0.28 C ATOM 1084 CG ARG A 117 8.602 -10.802 1.387 1.00 0.61 C ATOM 1085 CD ARG A 117 7.195 -10.235 1.453 1.00 0.34 C ATOM 1086 NE ARG A 117 6.823 -9.870 2.819 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.617 -10.076 3.349 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.664 -10.668 2.638 1.00 1.30 N ATOM 1089 NH2 ARG A 117 5.367 -9.704 4.598 1.00 2.33 N ATOM 0 H ARG A 117 8.046 -9.501 -1.464 1.00 0.19 H new ATOM 0 HA ARG A 117 10.474 -9.769 -0.031 1.00 0.24 H new ATOM 0 HB2 ARG A 117 8.055 -11.457 -0.571 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.480 -12.244 0.078 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.690 -11.629 2.092 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.313 -10.038 1.701 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.126 -9.358 0.810 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.488 -10.970 1.067 1.00 0.34 H new ATOM 0 HE ARG A 117 7.532 -9.429 3.405 1.00 1.22 H new ATOM 0 HH11 ARG A 117 4.853 -10.968 1.681 1.00 1.30 H new ATOM 0 HH12 ARG A 117 3.743 -10.823 3.049 1.00 1.30 H new ATOM 0 HH21 ARG A 117 6.098 -9.260 5.154 1.00 2.33 H new ATOM 0 HH22 ARG A 117 4.444 -9.862 5.002 1.00 2.33 H new ATOM 1103 N SER A 118 10.338 -11.142 -2.951 1.00 0.26 N ATOM 1104 CA SER A 118 11.114 -11.806 -3.987 1.00 0.31 C ATOM 1105 C SER A 118 12.127 -10.848 -4.577 1.00 0.28 C ATOM 1106 O SER A 118 13.236 -11.229 -4.956 1.00 0.32 O ATOM 1107 CB SER A 118 10.185 -12.281 -5.089 1.00 0.37 C ATOM 1108 OG SER A 118 10.675 -13.453 -5.720 1.00 0.68 O ATOM 0 H SER A 118 9.448 -10.762 -3.273 1.00 0.26 H new ATOM 0 HA SER A 118 11.635 -12.655 -3.545 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.197 -12.478 -4.672 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.066 -11.491 -5.831 1.00 0.37 H new ATOM 0 HG SER A 118 10.051 -13.731 -6.423 1.00 0.68 H new ATOM 1114 N ARG A 119 11.727 -9.601 -4.639 1.00 0.23 N ATOM 1115 CA ARG A 119 12.507 -8.572 -5.264 1.00 0.20 C ATOM 1116 C ARG A 119 12.592 -7.350 -4.381 1.00 0.18 C ATOM 1117 O ARG A 119 11.983 -6.318 -4.664 1.00 0.17 O ATOM 1118 CB ARG A 119 11.879 -8.222 -6.594 1.00 0.25 C ATOM 1119 CG ARG A 119 12.347 -9.108 -7.716 1.00 0.33 C ATOM 1120 CD ARG A 119 13.699 -8.649 -8.233 1.00 0.33 C ATOM 1121 NE ARG A 119 14.263 -9.593 -9.192 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.468 -9.474 -9.742 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.264 -8.467 -9.402 1.00 1.48 N ATOM 1124 NH2 ARG A 119 15.880 -10.367 -10.629 1.00 1.19 N ATOM 0 H ARG A 119 10.842 -9.274 -4.252 1.00 0.23 H new ATOM 0 HA ARG A 119 13.522 -8.936 -5.422 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.795 -8.296 -6.508 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.110 -7.185 -6.837 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.416 -10.139 -7.368 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.618 -9.093 -8.526 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.595 -7.671 -8.704 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.386 -8.528 -7.396 1.00 0.33 H new ATOM 0 HE ARG A 119 13.695 -10.398 -9.458 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.952 -7.780 -8.716 1.00 1.48 H new ATOM 0 HH12 ARG A 119 17.187 -8.381 -9.827 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.273 -11.145 -10.889 1.00 1.19 H new ATOM 0 HH22 ARG A 119 16.804 -10.277 -11.052 1.00 1.19 H new ATOM 1138 N PRO A 120 13.368 -7.449 -3.305 1.00 0.19 N ATOM 1139 CA PRO A 120 13.564 -6.351 -2.365 1.00 0.19 C ATOM 1140 C PRO A 120 14.344 -5.196 -2.992 1.00 0.20 C ATOM 1141 O PRO A 120 14.481 -4.128 -2.395 1.00 0.21 O ATOM 1142 CB PRO A 120 14.349 -7.009 -1.239 1.00 0.23 C ATOM 1143 CG PRO A 120 15.091 -8.093 -1.915 1.00 0.25 C ATOM 1144 CD PRO A 120 14.112 -8.651 -2.892 1.00 0.22 C ATOM 0 HA PRO A 120 12.628 -5.900 -2.034 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.024 -6.303 -0.756 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.688 -7.399 -0.465 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.982 -7.714 -2.416 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.423 -8.851 -1.206 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.607 -9.133 -3.735 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.461 -9.397 -2.436 1.00 0.22 H new ATOM 1152 N ALA A 121 14.845 -5.413 -4.209 1.00 0.20 N ATOM 1153 CA ALA A 121 15.491 -4.344 -4.960 1.00 0.22 C ATOM 1154 C ALA A 121 14.426 -3.532 -5.668 1.00 0.19 C ATOM 1155 O ALA A 121 14.532 -2.321 -5.835 1.00 0.21 O ATOM 1156 CB ALA A 121 16.468 -4.910 -5.973 1.00 0.25 C ATOM 0 H ALA A 121 14.815 -6.312 -4.689 1.00 0.20 H new ATOM 0 HA ALA A 121 16.049 -3.710 -4.271 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.938 -4.093 -6.521 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.234 -5.488 -5.456 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.935 -5.556 -6.671 1.00 0.25 H new ATOM 1162 N LYS A 122 13.388 -4.237 -6.068 1.00 0.16 N ATOM 1163 CA LYS A 122 12.260 -3.633 -6.742 1.00 0.16 C ATOM 1164 C LYS A 122 11.253 -3.105 -5.744 1.00 0.11 C ATOM 1165 O LYS A 122 10.179 -2.663 -6.128 1.00 0.11 O ATOM 1166 CB LYS A 122 11.607 -4.635 -7.669 1.00 0.20 C ATOM 1167 CG LYS A 122 12.539 -5.092 -8.760 1.00 0.27 C ATOM 1168 CD LYS A 122 11.793 -5.399 -10.026 1.00 0.41 C ATOM 1169 CE LYS A 122 10.767 -6.476 -9.797 1.00 0.79 C ATOM 1170 NZ LYS A 122 10.101 -6.911 -11.052 1.00 1.07 N ATOM 0 H LYS A 122 13.304 -5.245 -5.935 1.00 0.16 H new ATOM 0 HA LYS A 122 12.625 -2.792 -7.332 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.275 -5.498 -7.092 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.718 -4.189 -8.116 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.283 -4.319 -8.953 1.00 0.27 H new ATOM 0 HG3 LYS A 122 13.080 -5.979 -8.430 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.303 -4.497 -10.392 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.494 -5.717 -10.798 1.00 0.41 H new ATOM 0 HE2 LYS A 122 11.247 -7.335 -9.329 1.00 0.79 H new ATOM 0 HE3 LYS A 122 10.014 -6.112 -9.098 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 9.405 -7.653 -10.836 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.618 -6.100 -11.488 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.813 -7.285 -11.711 1.00 1.07 H new ATOM 1184 N LEU A 123 11.578 -3.188 -4.461 1.00 0.10 N ATOM 1185 CA LEU A 123 10.751 -2.605 -3.424 1.00 0.08 C ATOM 1186 C LEU A 123 10.321 -1.189 -3.780 1.00 0.08 C ATOM 1187 O LEU A 123 9.141 -0.905 -3.782 1.00 0.13 O ATOM 1188 CB LEU A 123 11.498 -2.607 -2.101 1.00 0.12 C ATOM 1189 CG LEU A 123 10.699 -2.082 -0.918 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.450 -2.912 -0.704 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.555 -2.069 0.324 1.00 0.23 C ATOM 0 H LEU A 123 12.415 -3.658 -4.116 1.00 0.10 H new ATOM 0 HA LEU A 123 9.851 -3.213 -3.333 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.818 -3.626 -1.882 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.400 -2.005 -2.208 1.00 0.12 H new ATOM 0 HG LEU A 123 10.389 -1.060 -1.134 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.893 -2.519 0.147 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.826 -2.868 -1.597 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.730 -3.947 -0.508 1.00 0.12 H new ATOM 0 HD21 LEU A 123 10.972 -1.691 1.164 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.893 -3.082 0.543 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.419 -1.425 0.163 1.00 0.23 H new ATOM 1203 N TYR A 124 11.276 -0.294 -4.032 1.00 0.11 N ATOM 1204 CA TYR A 124 10.966 1.040 -4.503 1.00 0.10 C ATOM 1205 C TYR A 124 9.960 1.055 -5.639 1.00 0.11 C ATOM 1206 O TYR A 124 9.184 1.979 -5.749 1.00 0.14 O ATOM 1207 CB TYR A 124 12.249 1.741 -4.898 1.00 0.14 C ATOM 1208 CG TYR A 124 13.098 2.012 -3.697 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.494 2.427 -2.534 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.472 1.852 -3.708 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.224 2.683 -1.400 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.224 2.103 -2.580 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.598 2.520 -1.423 1.00 1.45 C ATOM 1214 OH TYR A 124 15.347 2.774 -0.294 1.00 1.89 O ATOM 0 H TYR A 124 12.272 -0.478 -3.915 1.00 0.11 H new ATOM 0 HA TYR A 124 10.489 1.577 -3.683 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.801 1.125 -5.608 1.00 0.14 H new ATOM 0 HB3 TYR A 124 12.016 2.678 -5.403 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.422 2.554 -2.512 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.963 1.526 -4.613 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.730 3.009 -0.497 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.296 1.974 -2.602 1.00 1.74 H new ATOM 0 HH TYR A 124 16.294 2.608 -0.485 1.00 1.89 H new ATOM 1224 N VAL A 125 9.918 0.018 -6.443 1.00 0.10 N ATOM 1225 CA VAL A 125 8.914 -0.057 -7.489 1.00 0.12 C ATOM 1226 C VAL A 125 7.554 -0.212 -6.852 1.00 0.11 C ATOM 1227 O VAL A 125 6.610 0.490 -7.170 1.00 0.14 O ATOM 1228 CB VAL A 125 9.144 -1.264 -8.393 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.193 -1.234 -9.568 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.594 -1.327 -8.826 1.00 0.18 C ATOM 0 H VAL A 125 10.556 -0.777 -6.398 1.00 0.10 H new ATOM 0 HA VAL A 125 8.977 0.854 -8.084 1.00 0.12 H new ATOM 0 HB VAL A 125 8.933 -2.176 -7.835 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.371 -2.102 -10.202 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.165 -1.254 -9.205 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.356 -0.324 -10.145 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.744 -2.193 -9.471 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.850 -0.419 -9.372 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.233 -1.414 -7.947 1.00 0.18 H new ATOM 1240 N TYR A 126 7.512 -1.140 -5.925 1.00 0.07 N ATOM 1241 CA TYR A 126 6.320 -1.501 -5.180 1.00 0.08 C ATOM 1242 C TYR A 126 5.888 -0.366 -4.259 1.00 0.08 C ATOM 1243 O TYR A 126 4.704 -0.061 -4.142 1.00 0.10 O ATOM 1244 CB TYR A 126 6.664 -2.752 -4.375 1.00 0.11 C ATOM 1245 CG TYR A 126 7.318 -3.820 -5.214 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.902 -4.072 -6.514 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.371 -4.555 -4.713 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.521 -5.038 -7.280 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.989 -5.525 -5.479 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.559 -5.758 -6.752 1.00 0.28 C ATOM 1251 OH TYR A 126 9.159 -6.739 -7.493 1.00 0.36 O ATOM 0 H TYR A 126 8.332 -1.685 -5.657 1.00 0.07 H new ATOM 0 HA TYR A 126 5.486 -1.691 -5.856 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.330 -2.481 -3.556 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.755 -3.153 -3.927 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.083 -3.505 -6.931 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.718 -4.370 -3.707 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.189 -5.225 -8.290 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.810 -6.096 -5.071 1.00 0.27 H new ATOM 0 HH TYR A 126 8.632 -6.906 -8.302 1.00 0.36 H new ATOM 1261 N ILE A 127 6.864 0.247 -3.607 1.00 0.08 N ATOM 1262 CA ILE A 127 6.642 1.419 -2.785 1.00 0.11 C ATOM 1263 C ILE A 127 6.070 2.538 -3.629 1.00 0.12 C ATOM 1264 O ILE A 127 5.051 3.131 -3.287 1.00 0.14 O ATOM 1265 CB ILE A 127 7.960 1.888 -2.152 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.482 0.824 -1.208 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.790 3.205 -1.417 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.934 1.016 -0.870 1.00 0.13 C ATOM 0 H ILE A 127 7.837 -0.059 -3.636 1.00 0.08 H new ATOM 0 HA ILE A 127 5.939 1.158 -1.994 1.00 0.11 H new ATOM 0 HB ILE A 127 8.681 2.049 -2.953 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.894 0.837 -0.290 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.345 -0.158 -1.661 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.744 3.505 -0.982 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.453 3.971 -2.116 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.051 3.087 -0.624 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.257 0.227 -0.191 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.529 0.975 -1.783 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.071 1.985 -0.391 1.00 0.13 H new ATOM 1280 N ASN A 128 6.732 2.809 -4.747 1.00 0.12 N ATOM 1281 CA ASN A 128 6.250 3.816 -5.689 1.00 0.15 C ATOM 1282 C ASN A 128 4.885 3.413 -6.233 1.00 0.12 C ATOM 1283 O ASN A 128 4.006 4.253 -6.407 1.00 0.12 O ATOM 1284 CB ASN A 128 7.225 4.018 -6.864 1.00 0.20 C ATOM 1285 CG ASN A 128 8.543 4.698 -6.494 1.00 0.30 C ATOM 1286 OD1 ASN A 128 9.144 5.384 -7.321 1.00 0.82 O ATOM 1287 ND2 ASN A 128 8.999 4.524 -5.258 1.00 0.42 N ATOM 0 H ASN A 128 7.599 2.349 -5.024 1.00 0.12 H new ATOM 0 HA ASN A 128 6.173 4.758 -5.145 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.445 3.046 -7.306 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.729 4.612 -7.631 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.872 4.965 -4.970 1.00 0.42 H new ATOM 0 HD22 ASN A 128 8.476 3.949 -4.598 1.00 0.42 H new ATOM 1294 N GLU A 129 4.718 2.118 -6.477 1.00 0.11 N ATOM 1295 CA GLU A 129 3.484 1.568 -7.011 1.00 0.10 C ATOM 1296 C GLU A 129 2.325 1.801 -6.062 1.00 0.09 C ATOM 1297 O GLU A 129 1.320 2.401 -6.429 1.00 0.14 O ATOM 1298 CB GLU A 129 3.650 0.069 -7.287 1.00 0.14 C ATOM 1299 CG GLU A 129 3.264 -0.300 -8.686 1.00 0.26 C ATOM 1300 CD GLU A 129 3.490 -1.756 -9.039 1.00 1.41 C ATOM 1301 OE1 GLU A 129 2.677 -2.609 -8.613 1.00 1.55 O ATOM 1302 OE2 GLU A 129 4.449 -2.057 -9.780 1.00 2.29 O ATOM 0 H GLU A 129 5.441 1.419 -6.308 1.00 0.11 H new ATOM 0 HA GLU A 129 3.262 2.080 -7.947 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.687 -0.217 -7.112 1.00 0.14 H new ATOM 0 HB3 GLU A 129 3.040 -0.497 -6.583 1.00 0.14 H new ATOM 0 HG2 GLU A 129 2.210 -0.064 -8.833 1.00 0.26 H new ATOM 0 HG3 GLU A 129 3.830 0.321 -9.381 1.00 0.26 H new ATOM 1309 N LEU A 130 2.494 1.347 -4.839 1.00 0.07 N ATOM 1310 CA LEU A 130 1.471 1.470 -3.821 1.00 0.08 C ATOM 1311 C LEU A 130 1.230 2.936 -3.494 1.00 0.09 C ATOM 1312 O LEU A 130 0.096 3.349 -3.276 1.00 0.10 O ATOM 1313 CB LEU A 130 1.883 0.717 -2.570 1.00 0.08 C ATOM 1314 CG LEU A 130 0.719 0.152 -1.769 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.049 -0.980 -2.523 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.194 -0.320 -0.417 1.00 0.08 C ATOM 0 H LEU A 130 3.344 0.882 -4.521 1.00 0.07 H new ATOM 0 HA LEU A 130 0.545 1.038 -4.201 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.545 -0.101 -2.854 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.459 1.386 -1.930 1.00 0.08 H new ATOM 0 HG LEU A 130 -0.015 0.944 -1.622 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.780 -1.370 -1.933 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.327 -0.610 -3.477 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.772 -1.776 -2.702 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.351 -0.722 0.145 1.00 0.08 H new ATOM 0 HD22 LEU A 130 1.947 -1.097 -0.547 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.628 0.518 0.129 1.00 0.08 H new ATOM 1328 N CYS A 131 2.299 3.726 -3.482 1.00 0.11 N ATOM 1329 CA CYS A 131 2.180 5.160 -3.259 1.00 0.13 C ATOM 1330 C CYS A 131 1.373 5.792 -4.389 1.00 0.13 C ATOM 1331 O CYS A 131 0.528 6.652 -4.158 1.00 0.14 O ATOM 1332 CB CYS A 131 3.566 5.807 -3.179 1.00 0.18 C ATOM 1333 SG CYS A 131 3.538 7.611 -3.116 1.00 1.39 S ATOM 0 H CYS A 131 3.254 3.397 -3.624 1.00 0.11 H new ATOM 0 HA CYS A 131 1.665 5.327 -2.313 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.079 5.432 -2.294 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.151 5.494 -4.044 1.00 0.18 H new ATOM 0 HG CYS A 131 4.561 8.037 -2.436 1.00 1.39 H new ATOM 1339 N THR A 132 1.626 5.322 -5.605 1.00 0.12 N ATOM 1340 CA THR A 132 0.908 5.784 -6.788 1.00 0.14 C ATOM 1341 C THR A 132 -0.554 5.381 -6.688 1.00 0.11 C ATOM 1342 O THR A 132 -1.453 6.142 -7.036 1.00 0.15 O ATOM 1343 CB THR A 132 1.538 5.184 -8.067 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.844 5.738 -8.264 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.682 5.432 -9.301 1.00 0.24 C ATOM 0 H THR A 132 2.332 4.612 -5.799 1.00 0.12 H new ATOM 0 HA THR A 132 0.978 6.870 -6.844 1.00 0.14 H new ATOM 0 HB THR A 132 1.605 4.105 -7.927 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.500 5.219 -7.753 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.165 4.992 -10.173 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.298 4.976 -9.161 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.565 6.505 -9.453 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.758 4.187 -6.168 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.072 3.622 -5.922 1.00 0.07 C ATOM 1355 C VAL A 133 -2.852 4.441 -4.905 1.00 0.07 C ATOM 1356 O VAL A 133 -4.019 4.782 -5.109 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.881 2.190 -5.408 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.080 1.676 -4.641 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.557 1.278 -6.564 1.00 0.10 C ATOM 0 H VAL A 133 0.005 3.566 -5.898 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.646 3.629 -6.848 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.050 2.203 -4.703 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.886 0.658 -4.302 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.262 2.317 -3.778 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.956 1.682 -5.289 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.421 0.260 -6.198 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.375 1.298 -7.284 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.640 1.615 -7.047 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.191 4.759 -3.813 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.807 5.501 -2.730 1.00 0.11 C ATOM 1371 C LEU A 134 -2.993 6.964 -3.118 1.00 0.14 C ATOM 1372 O LEU A 134 -3.898 7.639 -2.635 1.00 0.18 O ATOM 1373 CB LEU A 134 -1.945 5.375 -1.482 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.731 3.943 -0.990 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.709 3.910 0.131 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.046 3.338 -0.536 1.00 0.16 C ATOM 0 H LEU A 134 -1.215 4.512 -3.649 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.794 5.087 -2.524 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -0.972 5.824 -1.683 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.404 5.954 -0.681 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.346 3.347 -1.818 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.571 2.882 0.467 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.241 4.304 -0.231 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.062 4.520 0.963 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.877 2.319 -0.189 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.459 3.935 0.277 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.748 3.325 -1.370 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.119 7.445 -3.993 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.217 8.769 -4.541 1.00 0.17 C ATOM 1390 C LYS A 135 -3.372 8.811 -5.524 1.00 0.15 C ATOM 1391 O LYS A 135 -4.034 9.834 -5.696 1.00 0.18 O ATOM 1392 CB LYS A 135 -0.904 9.104 -5.249 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.421 10.508 -4.996 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.409 11.518 -5.527 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.439 11.527 -7.053 1.00 1.32 C ATOM 1396 NZ LYS A 135 -0.105 11.818 -7.643 1.00 1.82 N ATOM 0 H LYS A 135 -1.320 6.913 -4.338 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.396 9.499 -3.752 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.137 8.401 -4.924 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.033 8.961 -6.322 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.277 10.661 -3.926 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.548 10.655 -5.472 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.404 11.290 -5.144 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.147 12.511 -5.162 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -1.790 10.560 -7.413 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -2.156 12.273 -7.396 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -0.220 12.113 -8.634 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 0.353 12.581 -7.105 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 0.486 10.963 -7.603 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.614 7.667 -6.144 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.647 7.535 -7.137 1.00 0.14 C ATOM 1412 C ALA A 136 -6.011 7.508 -6.468 1.00 0.16 C ATOM 1413 O ALA A 136 -6.973 8.098 -6.956 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.417 6.263 -7.945 1.00 0.17 C ATOM 0 H ALA A 136 -3.094 6.807 -5.967 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.614 8.390 -7.812 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.200 6.163 -8.697 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.446 6.315 -8.437 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.441 5.400 -7.280 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.079 6.832 -5.331 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.347 6.609 -4.656 1.00 0.23 C ATOM 1422 C HIS A 137 -7.330 7.216 -3.262 1.00 0.24 C ATOM 1423 O HIS A 137 -7.824 6.629 -2.297 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.652 5.114 -4.601 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.494 4.448 -5.930 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -8.038 4.953 -7.084 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.785 3.361 -6.295 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.664 4.207 -8.103 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.906 3.227 -7.653 1.00 0.34 N ATOM 0 H HIS A 137 -5.271 6.429 -4.857 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.138 7.102 -5.221 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.989 4.638 -3.879 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.671 4.967 -4.244 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -6.224 2.714 -5.637 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.934 4.371 -9.136 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.481 2.493 -8.220 1.00 0.34 H new