USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 656 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 HIS : no HE2:sc= 0.304 K(o=0.25,f=-0.57) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= -0.0519 USER MOD Set 2.1: A 106 CYS SG : rot 95:sc= 1.24 USER MOD Set 2.2: A 110 SER OG : rot 81:sc= 1.14 USER MOD Set 3.1: A 92 GLN : amide:sc= -0.732 K(o=-1.3,f=-4.9!) USER MOD Set 3.2: A 93 GLN : amide:sc= -0.533 X(o=-1.3,f=-1) USER MOD Single : A 60 LYS NZ :NH3+ -136:sc= 1.27 (180deg=0.928) USER MOD Single : A 63 ASN : amide:sc= -0.0986 K(o=-0.099,f=-9.8!) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= 1.15 (180deg=0.855) USER MOD Single : A 74 CYS SG : rot 64:sc= -0.607 USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 1.23 (180deg=0.918) USER MOD Single : A 76 MET CE :methyl 167:sc= -3.28! (180deg=-3.8!) USER MOD Single : A 77 GLN : amide:sc= -1.93! C(o=-1.9!,f=-3!) USER MOD Single : A 78 THR OG1 : rot -35:sc= 1.19 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.491 K(o=-0.49,f=-1.1) USER MOD Single : A 96 HIS : no HD1:sc= -2.07! C(o=-2.1!,f=-9.6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0058 USER MOD Single : A 102 SER OG : rot -57:sc= 1.17 USER MOD Single : A 107 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.46) USER MOD Single : A 114 SER OG : rot 104: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 -21:sc= -3.95! USER MOD Single : A 128 ASN : amide:sc= 0.916 K(o=0.92,f=-0.67) USER MOD Single : A 131 CYS SG : rot 136:sc= 0.7 USER MOD Single : A 132 THR OG1 : rot 58:sc= 1.25 USER MOD Single : A 135 LYS NZ :NH3+ -164:sc= -0.0747 (180deg=-0.38) USER MOD Single : A 137 HIS : no HD1:sc= -2.39 X(o=-2.4,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 60 -10.645 -4.665 4.253 1.00 0.29 N ATOM 139 CA LYS A 60 -10.097 -3.568 5.030 1.00 0.29 C ATOM 140 C LYS A 60 -8.991 -4.035 5.967 1.00 0.25 C ATOM 141 O LYS A 60 -7.873 -3.528 5.919 1.00 0.26 O ATOM 142 CB LYS A 60 -11.233 -2.931 5.832 1.00 0.37 C ATOM 143 CG LYS A 60 -10.881 -1.590 6.438 1.00 0.57 C ATOM 144 CD LYS A 60 -10.080 -1.719 7.711 1.00 0.43 C ATOM 145 CE LYS A 60 -10.871 -2.349 8.845 1.00 0.76 C ATOM 146 NZ LYS A 60 -10.237 -2.078 10.163 1.00 1.62 N ATOM 0 HA LYS A 60 -9.654 -2.841 4.350 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -12.099 -2.808 5.182 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.528 -3.613 6.630 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -10.313 -1.006 5.714 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.797 -1.037 6.644 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -9.192 -2.320 7.516 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.736 -0.732 8.019 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -11.889 -1.959 8.842 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -10.942 -3.425 8.688 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -10.232 -2.949 10.732 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -9.259 -1.754 10.018 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -10.775 -1.341 10.662 1.00 1.62 H new ATOM 160 N LEU A 61 -9.314 -5.007 6.804 1.00 0.25 N ATOM 161 CA LEU A 61 -8.348 -5.546 7.732 1.00 0.25 C ATOM 162 C LEU A 61 -7.136 -6.109 7.014 1.00 0.26 C ATOM 163 O LEU A 61 -5.994 -5.795 7.357 1.00 0.30 O ATOM 164 CB LEU A 61 -8.974 -6.638 8.573 1.00 0.30 C ATOM 165 CG LEU A 61 -9.046 -6.329 10.060 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.380 -7.584 10.845 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.740 -5.709 10.537 1.00 0.63 C ATOM 0 H LEU A 61 -10.238 -5.435 6.856 1.00 0.25 H new ATOM 0 HA LEU A 61 -8.024 -4.725 8.372 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.982 -6.828 8.206 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.405 -7.557 8.433 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.842 -5.605 10.231 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.428 -7.346 11.908 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.344 -7.973 10.516 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.609 -8.335 10.676 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.808 -5.494 11.603 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.920 -6.405 10.359 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.556 -4.784 9.991 1.00 0.63 H new ATOM 179 N GLU A 62 -7.406 -6.952 6.030 1.00 0.25 N ATOM 180 CA GLU A 62 -6.380 -7.579 5.254 1.00 0.29 C ATOM 181 C GLU A 62 -5.448 -6.535 4.668 1.00 0.23 C ATOM 182 O GLU A 62 -4.234 -6.645 4.785 1.00 0.20 O ATOM 183 CB GLU A 62 -7.015 -8.394 4.144 1.00 0.39 C ATOM 184 CG GLU A 62 -6.136 -9.533 3.746 1.00 0.63 C ATOM 185 CD GLU A 62 -6.659 -10.337 2.572 1.00 1.48 C ATOM 186 OE1 GLU A 62 -7.540 -11.197 2.782 1.00 1.98 O ATOM 187 OE2 GLU A 62 -6.175 -10.131 1.438 1.00 2.20 O ATOM 0 H GLU A 62 -8.353 -7.214 5.756 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.797 -8.237 5.898 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -7.982 -8.774 4.475 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -7.202 -7.755 3.281 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -5.148 -9.146 3.496 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -6.011 -10.198 4.601 1.00 0.63 H new ATOM 194 N ASN A 63 -6.031 -5.509 4.070 1.00 0.22 N ATOM 195 CA ASN A 63 -5.273 -4.450 3.432 1.00 0.19 C ATOM 196 C ASN A 63 -4.454 -3.659 4.440 1.00 0.15 C ATOM 197 O ASN A 63 -3.284 -3.371 4.195 1.00 0.16 O ATOM 198 CB ASN A 63 -6.208 -3.511 2.677 1.00 0.21 C ATOM 199 CG ASN A 63 -6.909 -4.196 1.525 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.421 -5.185 0.994 1.00 0.33 O ATOM 201 ND2 ASN A 63 -8.052 -3.666 1.125 1.00 0.27 N ATOM 0 H ASN A 63 -7.042 -5.389 4.014 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.583 -4.919 2.730 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.953 -3.113 3.366 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.638 -2.662 2.299 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.562 -4.082 0.346 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.424 -2.841 1.595 1.00 0.27 H new ATOM 208 N GLU A 64 -5.064 -3.294 5.562 1.00 0.15 N ATOM 209 CA GLU A 64 -4.333 -2.637 6.631 1.00 0.16 C ATOM 210 C GLU A 64 -3.119 -3.467 7.006 1.00 0.14 C ATOM 211 O GLU A 64 -1.990 -2.981 6.993 1.00 0.17 O ATOM 212 CB GLU A 64 -5.219 -2.449 7.858 1.00 0.21 C ATOM 213 CG GLU A 64 -6.310 -1.415 7.685 1.00 0.30 C ATOM 214 CD GLU A 64 -6.987 -1.081 8.997 1.00 1.20 C ATOM 215 OE1 GLU A 64 -7.601 -1.986 9.597 1.00 1.75 O ATOM 216 OE2 GLU A 64 -6.900 0.085 9.438 1.00 1.77 O ATOM 0 H GLU A 64 -6.055 -3.442 5.751 1.00 0.15 H new ATOM 0 HA GLU A 64 -4.015 -1.656 6.278 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.677 -3.405 8.111 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.593 -2.162 8.703 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -5.885 -0.508 7.255 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -7.052 -1.786 6.978 1.00 0.30 H new ATOM 223 N LYS A 65 -3.373 -4.731 7.301 1.00 0.13 N ATOM 224 CA LYS A 65 -2.354 -5.674 7.671 1.00 0.14 C ATOM 225 C LYS A 65 -1.281 -5.790 6.604 1.00 0.12 C ATOM 226 O LYS A 65 -0.101 -5.636 6.887 1.00 0.14 O ATOM 227 CB LYS A 65 -3.025 -7.015 7.855 1.00 0.20 C ATOM 228 CG LYS A 65 -2.298 -7.910 8.808 1.00 0.44 C ATOM 229 CD LYS A 65 -1.413 -8.911 8.086 1.00 0.86 C ATOM 230 CE LYS A 65 -2.228 -9.814 7.165 1.00 1.32 C ATOM 231 NZ LYS A 65 -1.402 -10.884 6.550 1.00 1.93 N ATOM 0 H LYS A 65 -4.312 -5.128 7.287 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.867 -5.338 8.586 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -4.042 -6.859 8.216 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.103 -7.511 6.888 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -1.688 -7.306 9.480 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -3.020 -8.444 9.426 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.660 -8.379 7.504 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -0.880 -9.520 8.816 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -3.042 -10.267 7.731 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -2.683 -9.212 6.379 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -2.024 -11.613 6.145 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -0.810 -10.477 5.798 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -0.793 -11.313 7.276 1.00 1.93 H new ATOM 245 N LEU A 66 -1.714 -6.082 5.388 1.00 0.11 N ATOM 246 CA LEU A 66 -0.807 -6.211 4.250 1.00 0.10 C ATOM 247 C LEU A 66 0.061 -4.974 4.119 1.00 0.08 C ATOM 248 O LEU A 66 1.263 -5.071 3.881 1.00 0.08 O ATOM 249 CB LEU A 66 -1.591 -6.418 2.956 1.00 0.10 C ATOM 250 CG LEU A 66 -2.343 -7.739 2.845 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.220 -7.740 1.605 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.367 -8.897 2.804 1.00 0.17 C ATOM 0 H LEU A 66 -2.696 -6.236 5.159 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.172 -7.079 4.425 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.307 -5.603 2.852 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.899 -6.343 2.117 1.00 0.10 H new ATOM 0 HG LEU A 66 -2.980 -7.855 3.722 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.752 -8.689 1.536 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -3.940 -6.924 1.668 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.598 -7.608 0.720 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -1.918 -9.834 2.725 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.709 -8.788 1.941 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.771 -8.903 3.716 1.00 0.17 H new ATOM 264 N PHE A 67 -0.556 -3.810 4.285 1.00 0.07 N ATOM 265 CA PHE A 67 0.169 -2.559 4.271 1.00 0.06 C ATOM 266 C PHE A 67 1.266 -2.573 5.325 1.00 0.06 C ATOM 267 O PHE A 67 2.406 -2.232 5.039 1.00 0.07 O ATOM 268 CB PHE A 67 -0.768 -1.380 4.525 1.00 0.08 C ATOM 269 CG PHE A 67 -0.041 -0.076 4.534 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.763 0.260 3.467 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.144 0.797 5.603 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.463 1.454 3.458 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.549 1.991 5.600 1.00 0.12 C ATOM 274 CZ PHE A 67 1.353 2.316 4.525 1.00 0.09 C ATOM 0 H PHE A 67 -1.561 -3.713 4.431 1.00 0.07 H new ATOM 0 HA PHE A 67 0.616 -2.443 3.284 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.540 -1.359 3.756 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.274 -1.519 5.480 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.848 -0.415 2.629 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.771 0.543 6.445 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.092 1.708 2.618 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.463 2.669 6.436 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.897 3.249 4.522 1.00 0.09 H new ATOM 284 N GLU A 68 0.910 -2.974 6.537 1.00 0.08 N ATOM 285 CA GLU A 68 1.869 -3.055 7.631 1.00 0.09 C ATOM 286 C GLU A 68 2.951 -4.067 7.313 1.00 0.10 C ATOM 287 O GLU A 68 4.126 -3.818 7.545 1.00 0.12 O ATOM 288 CB GLU A 68 1.179 -3.467 8.931 1.00 0.14 C ATOM 289 CG GLU A 68 -0.111 -2.730 9.194 1.00 0.21 C ATOM 290 CD GLU A 68 -0.734 -3.093 10.525 1.00 0.87 C ATOM 291 OE1 GLU A 68 -1.303 -4.200 10.640 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.661 -2.275 11.464 1.00 1.19 O ATOM 0 H GLU A 68 -0.039 -3.249 6.789 1.00 0.08 H new ATOM 0 HA GLU A 68 2.312 -2.067 7.754 1.00 0.09 H new ATOM 0 HB2 GLU A 68 0.976 -4.537 8.900 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.861 -3.296 9.764 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.077 -1.657 9.167 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.819 -2.950 8.395 1.00 0.21 H new ATOM 299 N GLU A 69 2.547 -5.196 6.753 1.00 0.10 N ATOM 300 CA GLU A 69 3.486 -6.268 6.430 1.00 0.12 C ATOM 301 C GLU A 69 4.521 -5.756 5.447 1.00 0.11 C ATOM 302 O GLU A 69 5.699 -6.107 5.509 1.00 0.14 O ATOM 303 CB GLU A 69 2.777 -7.467 5.803 1.00 0.15 C ATOM 304 CG GLU A 69 1.674 -8.068 6.630 1.00 0.25 C ATOM 305 CD GLU A 69 1.514 -9.549 6.381 1.00 0.81 C ATOM 306 OE1 GLU A 69 0.771 -9.928 5.451 1.00 1.34 O ATOM 307 OE2 GLU A 69 2.120 -10.345 7.125 1.00 1.21 O ATOM 0 H GLU A 69 1.577 -5.397 6.511 1.00 0.10 H new ATOM 0 HA GLU A 69 3.957 -6.586 7.360 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.363 -7.161 4.842 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.518 -8.240 5.599 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.882 -7.900 7.687 1.00 0.25 H new ATOM 0 HG3 GLU A 69 0.736 -7.560 6.405 1.00 0.25 H new ATOM 314 N PHE A 70 4.051 -4.911 4.547 1.00 0.09 N ATOM 315 CA PHE A 70 4.870 -4.335 3.522 1.00 0.09 C ATOM 316 C PHE A 70 5.680 -3.187 4.117 1.00 0.08 C ATOM 317 O PHE A 70 6.859 -3.019 3.818 1.00 0.10 O ATOM 318 CB PHE A 70 3.963 -3.850 2.398 1.00 0.09 C ATOM 319 CG PHE A 70 4.663 -3.175 1.273 1.00 0.09 C ATOM 320 CD1 PHE A 70 4.910 -1.826 1.340 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.052 -3.877 0.146 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.535 -1.175 0.308 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.686 -3.231 -0.896 1.00 0.13 C ATOM 324 CZ PHE A 70 5.926 -1.874 -0.815 1.00 0.13 C ATOM 0 H PHE A 70 3.077 -4.609 4.516 1.00 0.09 H new ATOM 0 HA PHE A 70 5.568 -5.069 3.119 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.411 -4.703 2.003 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.229 -3.161 2.815 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.608 -1.271 2.216 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.858 -4.938 0.081 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.721 -0.113 0.374 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.993 -3.785 -1.771 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.418 -1.361 -1.628 1.00 0.13 H new ATOM 334 N LEU A 71 5.016 -2.397 4.957 1.00 0.07 N ATOM 335 CA LEU A 71 5.637 -1.290 5.654 1.00 0.08 C ATOM 336 C LEU A 71 6.815 -1.738 6.511 1.00 0.08 C ATOM 337 O LEU A 71 7.922 -1.216 6.382 1.00 0.09 O ATOM 338 CB LEU A 71 4.605 -0.573 6.516 1.00 0.09 C ATOM 339 CG LEU A 71 4.104 0.738 5.929 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.656 1.692 7.009 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.184 1.373 5.102 1.00 0.10 C ATOM 0 H LEU A 71 4.025 -2.514 5.170 1.00 0.07 H new ATOM 0 HA LEU A 71 6.025 -0.605 4.900 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.755 -1.237 6.672 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.040 -0.377 7.496 1.00 0.09 H new ATOM 0 HG LEU A 71 3.243 0.517 5.298 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.304 2.618 6.554 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.847 1.239 7.582 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.493 1.909 7.673 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.819 2.311 4.685 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.054 1.569 5.728 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.465 0.700 4.291 1.00 0.10 H new ATOM 353 N GLU A 72 6.560 -2.692 7.394 1.00 0.08 N ATOM 354 CA GLU A 72 7.610 -3.275 8.231 1.00 0.11 C ATOM 355 C GLU A 72 8.725 -3.820 7.366 1.00 0.09 C ATOM 356 O GLU A 72 9.905 -3.620 7.648 1.00 0.12 O ATOM 357 CB GLU A 72 7.059 -4.395 9.100 1.00 0.19 C ATOM 358 CG GLU A 72 5.872 -3.955 9.910 1.00 0.26 C ATOM 359 CD GLU A 72 6.200 -2.827 10.861 1.00 0.59 C ATOM 360 OE1 GLU A 72 6.917 -3.067 11.853 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.751 -1.690 10.614 1.00 1.13 O ATOM 0 H GLU A 72 5.632 -3.084 7.553 1.00 0.08 H new ATOM 0 HA GLU A 72 7.997 -2.487 8.877 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.774 -5.236 8.468 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.842 -4.751 9.770 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.076 -3.637 9.237 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.490 -4.804 10.477 1.00 0.26 H new ATOM 368 N LEU A 73 8.328 -4.522 6.315 1.00 0.10 N ATOM 369 CA LEU A 73 9.264 -5.010 5.308 1.00 0.11 C ATOM 370 C LEU A 73 10.125 -3.875 4.787 1.00 0.10 C ATOM 371 O LEU A 73 11.345 -3.997 4.731 1.00 0.12 O ATOM 372 CB LEU A 73 8.501 -5.644 4.143 1.00 0.14 C ATOM 373 CG LEU A 73 9.366 -6.122 2.979 1.00 0.20 C ATOM 374 CD1 LEU A 73 10.008 -7.456 3.288 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.552 -6.209 1.707 1.00 0.46 C ATOM 0 H LEU A 73 7.355 -4.769 6.135 1.00 0.10 H new ATOM 0 HA LEU A 73 9.906 -5.759 5.772 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.931 -6.492 4.522 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.780 -4.919 3.765 1.00 0.14 H new ATOM 0 HG LEU A 73 10.160 -5.390 2.832 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.618 -7.771 2.441 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.637 -7.361 4.173 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.232 -8.199 3.473 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.188 -6.551 0.891 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.732 -6.913 1.847 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.149 -5.226 1.465 1.00 0.46 H new ATOM 387 N CYS A 74 9.493 -2.768 4.422 1.00 0.09 N ATOM 388 CA CYS A 74 10.231 -1.613 3.931 1.00 0.10 C ATOM 389 C CYS A 74 11.237 -1.150 4.974 1.00 0.11 C ATOM 390 O CYS A 74 12.399 -0.950 4.655 1.00 0.14 O ATOM 391 CB CYS A 74 9.291 -0.474 3.546 1.00 0.10 C ATOM 392 SG CYS A 74 8.165 -0.894 2.204 1.00 0.11 S ATOM 0 H CYS A 74 8.481 -2.646 4.456 1.00 0.09 H new ATOM 0 HA CYS A 74 10.769 -1.913 3.032 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.709 -0.183 4.420 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.884 0.393 3.254 1.00 0.10 H new ATOM 0 HG CYS A 74 7.370 -1.849 2.587 1.00 0.11 H new ATOM 398 N LYS A 75 10.816 -1.066 6.237 1.00 0.11 N ATOM 399 CA LYS A 75 11.712 -0.661 7.318 1.00 0.12 C ATOM 400 C LYS A 75 12.937 -1.574 7.383 1.00 0.13 C ATOM 401 O LYS A 75 13.971 -1.210 7.941 1.00 0.16 O ATOM 402 CB LYS A 75 10.977 -0.713 8.656 1.00 0.13 C ATOM 403 CG LYS A 75 9.774 0.191 8.740 1.00 0.18 C ATOM 404 CD LYS A 75 9.015 -0.073 10.020 1.00 0.20 C ATOM 405 CE LYS A 75 7.765 0.772 10.111 1.00 0.30 C ATOM 406 NZ LYS A 75 6.997 0.485 11.348 1.00 0.32 N ATOM 0 H LYS A 75 9.863 -1.273 6.535 1.00 0.11 H new ATOM 0 HA LYS A 75 12.041 0.359 7.117 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.659 -1.739 8.843 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.674 -0.445 9.450 1.00 0.13 H new ATOM 0 HG2 LYS A 75 10.090 1.234 8.704 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.124 0.025 7.881 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.746 -1.128 10.073 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.659 0.135 10.875 1.00 0.20 H new ATOM 0 HE2 LYS A 75 8.037 1.827 10.088 1.00 0.30 H new ATOM 0 HE3 LYS A 75 7.136 0.586 9.241 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 6.193 1.141 11.418 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.644 -0.493 11.318 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.615 0.605 12.176 1.00 0.32 H new ATOM 420 N MET A 76 12.810 -2.759 6.801 1.00 0.12 N ATOM 421 CA MET A 76 13.875 -3.740 6.812 1.00 0.13 C ATOM 422 C MET A 76 14.795 -3.581 5.604 1.00 0.14 C ATOM 423 O MET A 76 16.012 -3.692 5.732 1.00 0.16 O ATOM 424 CB MET A 76 13.277 -5.149 6.847 1.00 0.14 C ATOM 425 CG MET A 76 12.497 -5.431 8.117 1.00 0.15 C ATOM 426 SD MET A 76 12.155 -7.185 8.350 1.00 0.21 S ATOM 427 CE MET A 76 11.031 -7.490 6.991 1.00 0.40 C ATOM 0 H MET A 76 11.968 -3.062 6.311 1.00 0.12 H new ATOM 0 HA MET A 76 14.478 -3.580 7.706 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.620 -5.280 5.987 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.079 -5.881 6.750 1.00 0.14 H new ATOM 0 HG2 MET A 76 13.059 -5.058 8.973 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.556 -4.882 8.089 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.908 -8.564 6.855 1.00 0.40 H new ATOM 0 HE2 MET A 76 10.063 -7.039 7.211 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.436 -7.053 6.078 1.00 0.40 H new ATOM 437 N GLN A 77 14.225 -3.309 4.433 1.00 0.14 N ATOM 438 CA GLN A 77 15.017 -3.241 3.215 1.00 0.15 C ATOM 439 C GLN A 77 15.363 -1.802 2.817 1.00 0.16 C ATOM 440 O GLN A 77 16.283 -1.589 2.028 1.00 0.22 O ATOM 441 CB GLN A 77 14.300 -3.924 2.046 1.00 0.19 C ATOM 442 CG GLN A 77 12.941 -4.533 2.362 1.00 0.21 C ATOM 443 CD GLN A 77 12.952 -6.045 2.352 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.755 -6.674 1.314 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.145 -6.639 3.510 1.00 0.25 N ATOM 0 H GLN A 77 13.228 -3.134 4.305 1.00 0.14 H new ATOM 0 HA GLN A 77 15.946 -3.768 3.434 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.172 -3.193 1.247 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.947 -4.710 1.658 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.612 -4.184 3.341 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.212 -4.176 1.635 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.305 -6.081 4.349 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.134 -7.657 3.569 1.00 0.25 H new ATOM 454 N THR A 78 14.654 -0.819 3.359 1.00 0.17 N ATOM 455 CA THR A 78 14.856 0.570 2.953 1.00 0.22 C ATOM 456 C THR A 78 15.576 1.347 4.039 1.00 0.30 C ATOM 457 O THR A 78 15.153 2.440 4.405 1.00 0.32 O ATOM 458 CB THR A 78 13.533 1.318 2.629 1.00 0.17 C ATOM 459 OG1 THR A 78 12.739 1.484 3.808 1.00 0.14 O ATOM 460 CG2 THR A 78 12.716 0.593 1.579 1.00 0.22 C ATOM 0 H THR A 78 13.940 -0.954 4.075 1.00 0.17 H new ATOM 0 HA THR A 78 15.453 0.520 2.043 1.00 0.22 H new ATOM 0 HB THR A 78 13.814 2.295 2.236 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.843 0.699 4.386 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.800 1.150 1.382 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.295 0.511 0.659 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.464 -0.405 1.939 1.00 0.22 H new ATOM 468 N ALA A 79 16.643 0.785 4.580 1.00 0.38 N ATOM 469 CA ALA A 79 17.448 1.482 5.570 1.00 0.50 C ATOM 470 C ALA A 79 17.916 2.839 5.064 1.00 0.52 C ATOM 471 O ALA A 79 18.036 3.791 5.833 1.00 0.55 O ATOM 472 CB ALA A 79 18.644 0.634 5.934 1.00 0.67 C ATOM 0 H ALA A 79 16.973 -0.153 4.351 1.00 0.38 H new ATOM 0 HA ALA A 79 16.827 1.652 6.449 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.248 1.156 6.676 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.304 -0.316 6.346 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.244 0.449 5.043 1.00 0.67 H new ATOM 478 N ASP A 80 18.176 2.923 3.764 1.00 0.53 N ATOM 479 CA ASP A 80 18.616 4.170 3.152 1.00 0.57 C ATOM 480 C ASP A 80 17.444 5.128 3.013 1.00 0.52 C ATOM 481 O ASP A 80 17.613 6.343 2.922 1.00 0.57 O ATOM 482 CB ASP A 80 19.226 3.899 1.773 1.00 0.65 C ATOM 483 CG ASP A 80 19.889 5.119 1.159 1.00 1.21 C ATOM 484 OD1 ASP A 80 21.085 5.358 1.432 1.00 1.94 O ATOM 485 OD2 ASP A 80 19.207 5.861 0.421 1.00 1.46 O ATOM 0 H ASP A 80 18.089 2.142 3.114 1.00 0.53 H new ATOM 0 HA ASP A 80 19.373 4.622 3.793 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.962 3.099 1.860 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.445 3.542 1.102 1.00 0.65 H new ATOM 490 N HIS A 81 16.247 4.570 3.034 1.00 0.43 N ATOM 491 CA HIS A 81 15.037 5.363 2.860 1.00 0.38 C ATOM 492 C HIS A 81 14.005 5.063 3.935 1.00 0.29 C ATOM 493 O HIS A 81 12.942 4.523 3.647 1.00 0.23 O ATOM 494 CB HIS A 81 14.423 5.131 1.478 1.00 0.41 C ATOM 495 CG HIS A 81 15.182 5.792 0.376 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.993 7.107 0.017 1.00 0.99 N ATOM 497 CD2 HIS A 81 16.143 5.315 -0.446 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.801 7.406 -0.981 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.514 6.338 -1.282 1.00 0.86 N ATOM 0 H HIS A 81 16.084 3.572 3.169 1.00 0.43 H new ATOM 0 HA HIS A 81 15.330 6.409 2.950 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.375 4.059 1.285 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.398 5.501 1.477 1.00 0.41 H new ATOM 0 HD1 HIS A 81 14.332 7.749 0.454 1.00 0.99 H new ATOM 0 HD2 HIS A 81 16.545 4.313 -0.445 1.00 0.70 H new ATOM 0 HE1 HIS A 81 15.868 8.366 -1.471 1.00 1.08 H new ATOM 508 N PRO A 82 14.295 5.427 5.193 1.00 0.32 N ATOM 509 CA PRO A 82 13.348 5.257 6.292 1.00 0.29 C ATOM 510 C PRO A 82 12.173 6.222 6.167 1.00 0.26 C ATOM 511 O PRO A 82 11.188 6.117 6.889 1.00 0.29 O ATOM 512 CB PRO A 82 14.178 5.565 7.534 1.00 0.38 C ATOM 513 CG PRO A 82 15.298 6.418 7.063 1.00 0.44 C ATOM 514 CD PRO A 82 15.565 6.023 5.643 1.00 0.41 C ATOM 0 HA PRO A 82 12.906 4.261 6.313 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.581 6.081 8.286 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.549 4.649 7.995 1.00 0.38 H new ATOM 0 HG2 PRO A 82 15.036 7.474 7.129 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.184 6.270 7.680 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.839 6.884 5.034 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.387 5.310 5.575 1.00 0.41 H new ATOM 522 N GLU A 83 12.311 7.155 5.227 1.00 0.23 N ATOM 523 CA GLU A 83 11.273 8.129 4.892 1.00 0.21 C ATOM 524 C GLU A 83 10.160 7.470 4.086 1.00 0.17 C ATOM 525 O GLU A 83 9.037 7.968 4.013 1.00 0.18 O ATOM 526 CB GLU A 83 11.890 9.232 4.040 1.00 0.28 C ATOM 527 CG GLU A 83 12.325 8.692 2.702 1.00 0.46 C ATOM 528 CD GLU A 83 13.307 9.569 1.965 1.00 0.55 C ATOM 529 OE1 GLU A 83 12.902 10.628 1.450 1.00 1.01 O ATOM 530 OE2 GLU A 83 14.493 9.189 1.888 1.00 0.95 O ATOM 0 H GLU A 83 13.158 7.257 4.669 1.00 0.23 H new ATOM 0 HA GLU A 83 10.859 8.532 5.816 1.00 0.21 H new ATOM 0 HB2 GLU A 83 11.167 10.035 3.896 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.746 9.664 4.559 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.773 7.709 2.849 1.00 0.46 H new ATOM 0 HG3 GLU A 83 11.443 8.550 2.077 1.00 0.46 H new ATOM 537 N VAL A 84 10.510 6.360 3.463 1.00 0.15 N ATOM 538 CA VAL A 84 9.627 5.647 2.569 1.00 0.14 C ATOM 539 C VAL A 84 8.403 5.127 3.301 1.00 0.11 C ATOM 540 O VAL A 84 7.296 5.160 2.777 1.00 0.11 O ATOM 541 CB VAL A 84 10.413 4.517 1.880 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.586 3.279 1.684 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.965 5.007 0.556 1.00 0.21 C ATOM 0 H VAL A 84 11.427 5.926 3.567 1.00 0.15 H new ATOM 0 HA VAL A 84 9.258 6.330 1.804 1.00 0.14 H new ATOM 0 HB VAL A 84 11.237 4.242 2.538 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.188 2.513 1.194 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.248 2.910 2.652 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.722 3.513 1.063 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.520 4.203 0.073 1.00 0.21 H new ATOM 0 HG22 VAL A 84 10.143 5.318 -0.088 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.630 5.853 0.730 1.00 0.21 H new ATOM 553 N VAL A 85 8.606 4.678 4.517 1.00 0.09 N ATOM 554 CA VAL A 85 7.521 4.211 5.343 1.00 0.09 C ATOM 555 C VAL A 85 6.540 5.332 5.691 1.00 0.10 C ATOM 556 O VAL A 85 5.355 5.189 5.456 1.00 0.10 O ATOM 557 CB VAL A 85 8.068 3.541 6.601 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.970 3.320 7.613 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.754 2.246 6.214 1.00 0.11 C ATOM 0 H VAL A 85 9.524 4.627 4.959 1.00 0.09 H new ATOM 0 HA VAL A 85 6.959 3.472 4.771 1.00 0.09 H new ATOM 0 HB VAL A 85 8.802 4.193 7.075 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.384 2.841 8.500 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.531 4.279 7.889 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.201 2.680 7.181 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.147 1.762 7.108 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.036 1.585 5.729 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.573 2.459 5.527 1.00 0.11 H new ATOM 569 N PRO A 86 7.009 6.447 6.272 1.00 0.12 N ATOM 570 CA PRO A 86 6.179 7.632 6.483 1.00 0.14 C ATOM 571 C PRO A 86 5.444 8.066 5.214 1.00 0.14 C ATOM 572 O PRO A 86 4.281 8.445 5.272 1.00 0.18 O ATOM 573 CB PRO A 86 7.155 8.723 6.910 1.00 0.18 C ATOM 574 CG PRO A 86 8.474 8.066 7.130 1.00 0.18 C ATOM 575 CD PRO A 86 8.347 6.604 6.825 1.00 0.14 C ATOM 0 HA PRO A 86 5.404 7.431 7.223 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.231 9.494 6.143 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.811 9.213 7.821 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.232 8.520 6.491 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.799 8.209 8.161 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.108 6.282 6.114 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.475 6.001 7.724 1.00 0.14 H new ATOM 583 N PHE A 87 6.129 7.992 4.072 1.00 0.13 N ATOM 584 CA PHE A 87 5.553 8.350 2.778 1.00 0.14 C ATOM 585 C PHE A 87 4.483 7.337 2.403 1.00 0.12 C ATOM 586 O PHE A 87 3.443 7.677 1.829 1.00 0.12 O ATOM 587 CB PHE A 87 6.665 8.353 1.718 1.00 0.18 C ATOM 588 CG PHE A 87 6.296 8.960 0.392 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.039 9.480 0.178 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.222 9.013 -0.636 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.702 10.047 -1.033 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.896 9.576 -1.854 1.00 1.01 C ATOM 593 CZ PHE A 87 5.631 10.095 -2.053 1.00 0.69 C ATOM 0 H PHE A 87 7.099 7.682 4.020 1.00 0.13 H new ATOM 0 HA PHE A 87 5.102 9.341 2.833 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.523 8.893 2.119 1.00 0.18 H new ATOM 0 HB3 PHE A 87 6.985 7.325 1.550 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.306 9.443 0.970 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.212 8.609 -0.483 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.713 10.453 -1.183 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.627 9.611 -2.648 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.370 10.537 -3.003 1.00 0.69 H new ATOM 603 N LEU A 88 4.729 6.105 2.795 1.00 0.10 N ATOM 604 CA LEU A 88 3.844 5.014 2.490 1.00 0.09 C ATOM 605 C LEU A 88 2.636 5.144 3.365 1.00 0.08 C ATOM 606 O LEU A 88 1.489 5.071 2.919 1.00 0.09 O ATOM 607 CB LEU A 88 4.535 3.698 2.805 1.00 0.09 C ATOM 608 CG LEU A 88 5.020 2.913 1.607 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.857 1.749 2.072 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.845 2.421 0.797 1.00 0.10 C ATOM 0 H LEU A 88 5.552 5.837 3.335 1.00 0.10 H new ATOM 0 HA LEU A 88 3.567 5.035 1.436 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.387 3.902 3.453 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.846 3.073 3.372 1.00 0.09 H new ATOM 0 HG LEU A 88 5.628 3.561 0.976 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.206 1.184 1.208 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.714 2.119 2.634 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.257 1.101 2.711 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.206 1.857 -0.063 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.220 1.777 1.416 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.259 3.273 0.452 1.00 0.10 H new ATOM 622 N TYR A 89 2.936 5.365 4.633 1.00 0.08 N ATOM 623 CA TYR A 89 1.958 5.489 5.661 1.00 0.09 C ATOM 624 C TYR A 89 1.027 6.633 5.329 1.00 0.09 C ATOM 625 O TYR A 89 -0.180 6.482 5.318 1.00 0.11 O ATOM 626 CB TYR A 89 2.677 5.793 6.975 1.00 0.10 C ATOM 627 CG TYR A 89 2.382 4.825 8.070 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.100 4.388 8.265 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.379 4.365 8.910 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.791 3.512 9.270 1.00 0.19 C ATOM 631 CE2 TYR A 89 3.094 3.483 9.922 1.00 0.20 C ATOM 632 CZ TYR A 89 1.794 3.055 10.105 1.00 0.22 C ATOM 633 OH TYR A 89 1.499 2.184 11.127 1.00 0.27 O ATOM 0 H TYR A 89 3.894 5.463 4.968 1.00 0.08 H new ATOM 0 HA TYR A 89 1.383 4.567 5.748 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.752 5.804 6.794 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.399 6.794 7.305 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.316 4.742 7.612 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.395 4.704 8.768 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.227 3.181 9.410 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.881 3.126 10.570 1.00 0.20 H new ATOM 0 HH TYR A 89 2.319 1.963 11.616 1.00 0.27 H new ATOM 643 N ASN A 90 1.641 7.760 5.026 1.00 0.09 N ATOM 644 CA ASN A 90 0.959 8.974 4.609 1.00 0.09 C ATOM 645 C ASN A 90 -0.026 8.700 3.494 1.00 0.09 C ATOM 646 O ASN A 90 -1.219 8.944 3.644 1.00 0.10 O ATOM 647 CB ASN A 90 2.043 9.955 4.160 1.00 0.11 C ATOM 648 CG ASN A 90 1.607 10.984 3.147 1.00 0.24 C ATOM 649 OD1 ASN A 90 1.032 12.016 3.481 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.945 10.724 1.895 1.00 0.40 N ATOM 0 H ASN A 90 2.655 7.861 5.063 1.00 0.09 H new ATOM 0 HA ASN A 90 0.376 9.389 5.432 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.425 10.475 5.039 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.873 9.386 3.740 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.729 11.396 1.158 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.422 9.852 1.666 1.00 0.40 H new ATOM 657 N ARG A 91 0.479 8.167 2.396 1.00 0.08 N ATOM 658 CA ARG A 91 -0.349 7.841 1.247 1.00 0.10 C ATOM 659 C ARG A 91 -1.542 6.982 1.647 1.00 0.09 C ATOM 660 O ARG A 91 -2.666 7.233 1.223 1.00 0.11 O ATOM 661 CB ARG A 91 0.480 7.100 0.196 1.00 0.13 C ATOM 662 CG ARG A 91 1.411 7.987 -0.604 1.00 0.16 C ATOM 663 CD ARG A 91 0.635 8.941 -1.489 1.00 0.29 C ATOM 664 NE ARG A 91 1.527 9.789 -2.281 1.00 0.88 N ATOM 665 CZ ARG A 91 1.266 11.055 -2.614 1.00 1.05 C ATOM 666 NH1 ARG A 91 0.132 11.629 -2.232 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.140 11.744 -3.338 1.00 1.64 N ATOM 0 H ARG A 91 1.468 7.949 2.275 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.722 8.777 0.831 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.069 6.329 0.693 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.197 6.591 -0.490 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.049 8.554 0.074 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.067 7.370 -1.218 1.00 0.16 H new ATOM 0 HD2 ARG A 91 -0.014 8.373 -2.155 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.010 9.567 -0.872 1.00 0.29 H new ATOM 0 HE ARG A 91 2.408 9.385 -2.600 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -0.546 11.102 -1.681 1.00 1.35 H new ATOM 0 HH12 ARG A 91 -0.062 12.597 -2.490 1.00 1.35 H new ATOM 0 HH21 ARG A 91 3.010 11.306 -3.639 1.00 1.64 H new ATOM 0 HH22 ARG A 91 1.941 12.711 -3.593 1.00 1.64 H new ATOM 681 N GLN A 92 -1.285 5.982 2.476 1.00 0.09 N ATOM 682 CA GLN A 92 -2.309 5.037 2.885 1.00 0.12 C ATOM 683 C GLN A 92 -3.263 5.663 3.895 1.00 0.11 C ATOM 684 O GLN A 92 -4.479 5.494 3.808 1.00 0.13 O ATOM 685 CB GLN A 92 -1.631 3.806 3.471 1.00 0.18 C ATOM 686 CG GLN A 92 -2.485 2.561 3.406 1.00 0.35 C ATOM 687 CD GLN A 92 -3.213 2.264 4.700 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.513 3.155 5.489 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.509 1.001 4.914 1.00 0.36 N ATOM 0 H GLN A 92 -0.366 5.804 2.881 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.903 4.750 2.017 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.698 3.626 2.937 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.370 4.005 4.511 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -3.215 2.671 2.604 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.855 1.710 3.149 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.241 0.292 4.232 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.007 0.730 5.762 1.00 0.36 H new ATOM 698 N GLN A 93 -2.700 6.394 4.842 1.00 0.12 N ATOM 699 CA GLN A 93 -3.476 7.071 5.870 1.00 0.14 C ATOM 700 C GLN A 93 -4.447 8.065 5.247 1.00 0.16 C ATOM 701 O GLN A 93 -5.572 8.239 5.719 1.00 0.20 O ATOM 702 CB GLN A 93 -2.545 7.790 6.854 1.00 0.15 C ATOM 703 CG GLN A 93 -1.812 6.853 7.798 1.00 0.15 C ATOM 704 CD GLN A 93 -2.713 5.815 8.437 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.325 6.050 9.479 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.769 4.646 7.826 1.00 0.22 N ATOM 0 H GLN A 93 -1.693 6.536 4.921 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.051 6.320 6.412 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.813 8.369 6.291 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.129 8.499 7.441 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.018 6.346 7.250 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.334 7.440 8.582 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.245 4.496 6.964 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.336 3.893 8.216 1.00 0.22 H new ATOM 715 N ARG A 94 -4.000 8.718 4.185 1.00 0.14 N ATOM 716 CA ARG A 94 -4.808 9.719 3.510 1.00 0.15 C ATOM 717 C ARG A 94 -5.560 9.125 2.323 1.00 0.14 C ATOM 718 O ARG A 94 -6.249 9.834 1.582 1.00 0.19 O ATOM 719 CB ARG A 94 -3.908 10.868 3.085 1.00 0.21 C ATOM 720 CG ARG A 94 -3.030 10.584 1.889 1.00 0.76 C ATOM 721 CD ARG A 94 -1.762 11.413 1.970 1.00 0.64 C ATOM 722 NE ARG A 94 -2.034 12.784 2.410 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.386 13.862 1.975 1.00 1.04 C ATOM 724 NH1 ARG A 94 -0.425 13.751 1.066 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.695 15.057 2.464 1.00 1.40 N ATOM 0 H ARG A 94 -3.079 8.571 3.772 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.567 10.093 4.197 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.531 11.734 2.862 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.272 11.142 3.927 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.780 9.524 1.854 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.568 10.815 0.969 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.063 10.942 2.661 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -1.279 11.434 0.993 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.773 12.922 3.099 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -0.178 12.834 0.695 1.00 1.60 H new ATOM 0 HH12 ARG A 94 0.066 14.583 0.739 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.426 15.146 3.170 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.201 15.886 2.134 1.00 1.40 H new ATOM 739 N ALA A 95 -5.419 7.823 2.148 1.00 0.12 N ATOM 740 CA ALA A 95 -6.137 7.102 1.102 1.00 0.12 C ATOM 741 C ALA A 95 -7.599 6.900 1.487 1.00 0.13 C ATOM 742 O ALA A 95 -7.973 7.041 2.652 1.00 0.17 O ATOM 743 CB ALA A 95 -5.476 5.759 0.824 1.00 0.13 C ATOM 0 H ALA A 95 -4.810 7.237 2.719 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.100 7.703 0.194 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.027 5.238 0.041 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.448 5.920 0.499 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.479 5.157 1.733 1.00 0.13 H new ATOM 749 N HIS A 96 -8.424 6.597 0.493 1.00 0.12 N ATOM 750 CA HIS A 96 -9.846 6.373 0.695 1.00 0.13 C ATOM 751 C HIS A 96 -10.095 5.139 1.540 1.00 0.13 C ATOM 752 O HIS A 96 -9.663 4.047 1.186 1.00 0.12 O ATOM 753 CB HIS A 96 -10.524 6.190 -0.659 1.00 0.14 C ATOM 754 CG HIS A 96 -11.965 6.557 -0.640 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.815 6.019 0.284 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.646 7.427 -1.421 1.00 0.23 C ATOM 757 CE1 HIS A 96 -13.988 6.566 0.056 1.00 0.23 C ATOM 758 NE2 HIS A 96 -13.938 7.428 -0.967 1.00 0.25 N ATOM 0 H HIS A 96 -8.124 6.500 -0.477 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.256 7.238 1.216 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.009 6.799 -1.402 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.423 5.151 -0.972 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.249 8.007 -2.241 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.881 6.347 0.623 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.713 7.979 -1.337 1.00 0.25 H new ATOM 766 N SER A 97 -10.790 5.328 2.657 1.00 0.16 N ATOM 767 CA SER A 97 -11.207 4.232 3.521 1.00 0.20 C ATOM 768 C SER A 97 -11.926 3.127 2.740 1.00 0.18 C ATOM 769 O SER A 97 -11.733 1.945 3.025 1.00 0.18 O ATOM 770 CB SER A 97 -12.115 4.774 4.625 1.00 0.29 C ATOM 771 OG SER A 97 -11.516 5.892 5.266 1.00 1.32 O ATOM 0 H SER A 97 -11.080 6.248 2.988 1.00 0.16 H new ATOM 0 HA SER A 97 -10.313 3.788 3.959 1.00 0.20 H new ATOM 0 HB2 SER A 97 -13.077 5.064 4.202 1.00 0.29 H new ATOM 0 HB3 SER A 97 -12.312 3.991 5.358 1.00 0.29 H new ATOM 0 HG SER A 97 -12.113 6.225 5.968 1.00 1.32 H new ATOM 777 N LEU A 98 -12.767 3.504 1.773 1.00 0.18 N ATOM 778 CA LEU A 98 -13.399 2.532 0.882 1.00 0.18 C ATOM 779 C LEU A 98 -12.367 1.733 0.119 1.00 0.15 C ATOM 780 O LEU A 98 -12.471 0.518 -0.012 1.00 0.18 O ATOM 781 CB LEU A 98 -14.281 3.231 -0.136 1.00 0.21 C ATOM 782 CG LEU A 98 -15.667 3.627 0.343 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.452 4.179 -0.826 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.388 2.443 0.971 1.00 0.61 C ATOM 0 H LEU A 98 -13.024 4.474 1.589 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.992 1.869 1.511 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.766 4.129 -0.477 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.390 2.578 -1.002 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.576 4.394 1.112 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.449 4.466 -0.492 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -15.939 5.052 -1.229 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.535 3.417 -1.601 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.378 2.755 1.305 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.488 1.646 0.234 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.815 2.079 1.824 1.00 0.61 H new ATOM 796 N PHE A 99 -11.370 2.436 -0.371 1.00 0.12 N ATOM 797 CA PHE A 99 -10.318 1.821 -1.156 1.00 0.11 C ATOM 798 C PHE A 99 -9.447 0.952 -0.263 1.00 0.11 C ATOM 799 O PHE A 99 -9.073 -0.159 -0.632 1.00 0.12 O ATOM 800 CB PHE A 99 -9.472 2.873 -1.860 1.00 0.12 C ATOM 801 CG PHE A 99 -8.247 2.290 -2.492 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.361 1.486 -3.604 1.00 0.15 C ATOM 803 CD2 PHE A 99 -6.988 2.565 -1.988 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.242 0.956 -4.210 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.862 2.040 -2.587 1.00 0.20 C ATOM 806 CZ PHE A 99 -5.972 1.189 -3.625 1.00 0.18 C ATOM 0 H PHE A 99 -11.264 3.442 -0.239 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.780 1.197 -1.921 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.072 3.366 -2.624 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.178 3.639 -1.142 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.339 1.268 -4.006 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.886 3.196 -1.118 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.331 0.373 -5.115 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.884 2.314 -2.220 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.097 0.687 -4.010 1.00 0.18 H new ATOM 816 N LEU A 100 -9.144 1.459 0.919 1.00 0.12 N ATOM 817 CA LEU A 100 -8.410 0.699 1.916 1.00 0.14 C ATOM 818 C LEU A 100 -9.173 -0.561 2.280 1.00 0.16 C ATOM 819 O LEU A 100 -8.588 -1.555 2.690 1.00 0.21 O ATOM 820 CB LEU A 100 -8.194 1.549 3.164 1.00 0.17 C ATOM 821 CG LEU A 100 -7.483 2.869 2.921 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.654 3.787 4.115 1.00 0.21 C ATOM 823 CD2 LEU A 100 -6.022 2.619 2.643 1.00 0.22 C ATOM 0 H LEU A 100 -9.397 2.402 1.214 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.442 0.420 1.501 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -9.163 1.753 3.620 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.618 0.970 3.886 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.924 3.357 2.052 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -7.139 4.729 3.926 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.715 3.979 4.277 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -7.231 3.314 5.001 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.517 3.569 2.469 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.569 2.118 3.499 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.922 1.988 1.759 1.00 0.22 H new ATOM 835 N ALA A 101 -10.488 -0.512 2.141 1.00 0.16 N ATOM 836 CA ALA A 101 -11.322 -1.672 2.395 1.00 0.19 C ATOM 837 C ALA A 101 -11.722 -2.399 1.110 1.00 0.21 C ATOM 838 O ALA A 101 -12.491 -3.360 1.159 1.00 0.37 O ATOM 839 CB ALA A 101 -12.569 -1.249 3.153 1.00 0.23 C ATOM 0 H ALA A 101 -11.000 0.322 1.853 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.735 -2.369 2.992 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -13.193 -2.122 3.342 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -12.282 -0.796 4.102 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -13.128 -0.525 2.559 1.00 0.23 H new ATOM 845 N SER A 102 -11.197 -1.970 -0.036 1.00 0.13 N ATOM 846 CA SER A 102 -11.624 -2.547 -1.309 1.00 0.15 C ATOM 847 C SER A 102 -10.756 -3.725 -1.696 1.00 0.17 C ATOM 848 O SER A 102 -9.642 -3.904 -1.190 1.00 0.25 O ATOM 849 CB SER A 102 -11.589 -1.523 -2.451 1.00 0.18 C ATOM 850 OG SER A 102 -10.260 -1.126 -2.741 1.00 1.40 O ATOM 0 H SER A 102 -10.489 -1.239 -0.110 1.00 0.13 H new ATOM 0 HA SER A 102 -12.652 -2.876 -1.160 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.046 -1.952 -3.343 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.181 -0.650 -2.178 1.00 0.18 H new ATOM 0 HG SER A 102 -9.842 -0.767 -1.931 1.00 1.40 H new ATOM 856 N ALA A 103 -11.293 -4.525 -2.592 1.00 0.20 N ATOM 857 CA ALA A 103 -10.549 -5.594 -3.214 1.00 0.21 C ATOM 858 C ALA A 103 -9.344 -5.044 -3.965 1.00 0.18 C ATOM 859 O ALA A 103 -8.303 -5.696 -4.037 1.00 0.19 O ATOM 860 CB ALA A 103 -11.450 -6.352 -4.167 1.00 0.27 C ATOM 0 H ALA A 103 -12.260 -4.451 -2.909 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.191 -6.270 -2.437 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.887 -7.159 -4.636 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.293 -6.770 -3.616 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.820 -5.673 -4.936 1.00 0.27 H new ATOM 866 N GLU A 104 -9.497 -3.847 -4.534 1.00 0.17 N ATOM 867 CA GLU A 104 -8.435 -3.253 -5.340 1.00 0.17 C ATOM 868 C GLU A 104 -7.141 -3.124 -4.552 1.00 0.14 C ATOM 869 O GLU A 104 -6.078 -3.513 -5.030 1.00 0.14 O ATOM 870 CB GLU A 104 -8.840 -1.885 -5.847 1.00 0.22 C ATOM 871 CG GLU A 104 -8.105 -1.475 -7.108 1.00 0.30 C ATOM 872 CD GLU A 104 -8.482 -0.086 -7.587 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.689 0.245 -7.586 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.574 0.691 -7.943 1.00 1.70 O ATOM 0 H GLU A 104 -10.338 -3.276 -4.452 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.269 -3.921 -6.185 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.913 -1.879 -6.041 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.653 -1.146 -5.068 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -7.031 -1.511 -6.924 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -8.318 -2.196 -7.897 1.00 0.30 H new ATOM 881 N PHE A 105 -7.227 -2.589 -3.340 1.00 0.13 N ATOM 882 CA PHE A 105 -6.041 -2.399 -2.516 1.00 0.13 C ATOM 883 C PHE A 105 -5.446 -3.749 -2.163 1.00 0.12 C ATOM 884 O PHE A 105 -4.235 -3.906 -2.140 1.00 0.13 O ATOM 885 CB PHE A 105 -6.379 -1.618 -1.243 1.00 0.13 C ATOM 886 CG PHE A 105 -5.168 -1.079 -0.531 1.00 0.12 C ATOM 887 CD1 PHE A 105 -4.014 -0.795 -1.239 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.182 -0.849 0.839 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.898 -0.293 -0.603 1.00 0.13 C ATOM 890 CE2 PHE A 105 -4.065 -0.348 1.480 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.923 -0.068 0.754 1.00 0.14 C ATOM 0 H PHE A 105 -8.099 -2.281 -2.909 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.311 -1.820 -3.082 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -7.039 -0.789 -1.499 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.931 -2.267 -0.564 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.987 -0.969 -2.305 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -6.074 -1.064 1.408 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -2.005 -0.077 -1.170 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -4.084 -0.176 2.546 1.00 0.15 H new ATOM 0 HZ PHE A 105 -2.050 0.327 1.252 1.00 0.14 H new ATOM 901 N CYS A 106 -6.311 -4.729 -1.927 1.00 0.13 N ATOM 902 CA CYS A 106 -5.868 -6.087 -1.641 1.00 0.15 C ATOM 903 C CYS A 106 -5.061 -6.615 -2.812 1.00 0.15 C ATOM 904 O CYS A 106 -3.988 -7.193 -2.641 1.00 0.16 O ATOM 905 CB CYS A 106 -7.070 -7.002 -1.381 1.00 0.19 C ATOM 906 SG CYS A 106 -6.632 -8.742 -1.159 1.00 0.29 S ATOM 0 H CYS A 106 -7.324 -4.607 -1.928 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.245 -6.073 -0.747 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.594 -6.653 -0.491 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.766 -6.916 -2.215 1.00 0.19 H new ATOM 0 HG CYS A 106 -6.510 -9.000 0.109 1.00 0.29 H new ATOM 912 N ASN A 107 -5.606 -6.400 -3.996 1.00 0.14 N ATOM 913 CA ASN A 107 -4.962 -6.767 -5.249 1.00 0.16 C ATOM 914 C ASN A 107 -3.569 -6.177 -5.326 1.00 0.15 C ATOM 915 O ASN A 107 -2.578 -6.890 -5.458 1.00 0.17 O ATOM 916 CB ASN A 107 -5.789 -6.218 -6.410 1.00 0.18 C ATOM 917 CG ASN A 107 -6.064 -7.248 -7.485 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.260 -8.150 -7.725 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.210 -7.121 -8.135 1.00 0.34 N ATOM 0 H ASN A 107 -6.518 -5.961 -4.118 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.892 -7.853 -5.303 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.737 -5.841 -6.026 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.265 -5.371 -6.853 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.457 -7.786 -8.868 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.846 -6.358 -7.903 1.00 0.34 H new ATOM 926 N ILE A 108 -3.525 -4.867 -5.189 1.00 0.13 N ATOM 927 CA ILE A 108 -2.312 -4.085 -5.315 1.00 0.13 C ATOM 928 C ILE A 108 -1.305 -4.469 -4.238 1.00 0.11 C ATOM 929 O ILE A 108 -0.116 -4.639 -4.504 1.00 0.12 O ATOM 930 CB ILE A 108 -2.703 -2.601 -5.192 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.504 -2.177 -6.426 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.494 -1.712 -4.986 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.398 -0.980 -6.196 1.00 0.17 C ATOM 0 H ILE A 108 -4.350 -4.304 -4.982 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.838 -4.275 -6.278 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.328 -2.483 -4.307 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.811 -1.950 -7.236 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.116 -3.017 -6.756 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.816 -0.674 -4.904 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -0.978 -2.005 -4.072 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.817 -1.817 -5.834 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.931 -0.742 -7.116 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.117 -1.208 -5.409 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.792 -0.125 -5.897 1.00 0.17 H new ATOM 945 N LEU A 109 -1.815 -4.630 -3.036 1.00 0.09 N ATOM 946 CA LEU A 109 -1.016 -4.985 -1.880 1.00 0.08 C ATOM 947 C LEU A 109 -0.409 -6.364 -1.995 1.00 0.09 C ATOM 948 O LEU A 109 0.801 -6.538 -1.863 1.00 0.10 O ATOM 949 CB LEU A 109 -1.891 -4.917 -0.656 1.00 0.08 C ATOM 950 CG LEU A 109 -1.830 -3.579 0.056 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.801 -3.553 1.197 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.426 -3.306 0.546 1.00 0.07 C ATOM 0 H LEU A 109 -2.808 -4.517 -2.830 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.188 -4.279 -1.811 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.922 -5.120 -0.944 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.594 -5.703 0.038 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.105 -2.795 -0.650 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.747 -2.587 1.699 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.811 -3.709 0.819 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.552 -4.344 1.904 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.399 -2.342 1.055 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.124 -4.091 1.239 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.258 -3.288 -0.302 1.00 0.07 H new ATOM 964 N SER A 110 -1.256 -7.338 -2.230 1.00 0.10 N ATOM 965 CA SER A 110 -0.818 -8.710 -2.348 1.00 0.12 C ATOM 966 C SER A 110 0.209 -8.841 -3.464 1.00 0.12 C ATOM 967 O SER A 110 1.153 -9.622 -3.363 1.00 0.14 O ATOM 968 CB SER A 110 -2.011 -9.608 -2.602 1.00 0.15 C ATOM 969 OG SER A 110 -2.977 -9.480 -1.570 1.00 1.15 O ATOM 0 H SER A 110 -2.261 -7.205 -2.344 1.00 0.10 H new ATOM 0 HA SER A 110 -0.344 -9.018 -1.416 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.463 -9.354 -3.561 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.682 -10.645 -2.669 1.00 0.15 H new ATOM 0 HG SER A 110 -3.526 -8.685 -1.732 1.00 1.15 H new ATOM 975 N ARG A 111 0.019 -8.055 -4.517 1.00 0.11 N ATOM 976 CA ARG A 111 0.987 -7.963 -5.595 1.00 0.12 C ATOM 977 C ARG A 111 2.341 -7.534 -5.074 1.00 0.11 C ATOM 978 O ARG A 111 3.326 -8.261 -5.179 1.00 0.13 O ATOM 979 CB ARG A 111 0.532 -6.928 -6.610 1.00 0.16 C ATOM 980 CG ARG A 111 -0.545 -7.398 -7.544 1.00 0.26 C ATOM 981 CD ARG A 111 -0.888 -6.318 -8.553 1.00 0.99 C ATOM 982 NE ARG A 111 -2.087 -6.633 -9.320 1.00 1.81 N ATOM 983 CZ ARG A 111 -2.730 -5.750 -10.082 1.00 2.57 C ATOM 984 NH1 ARG A 111 -2.271 -4.508 -10.196 1.00 2.67 N ATOM 985 NH2 ARG A 111 -3.831 -6.109 -10.733 1.00 3.55 N ATOM 0 H ARG A 111 -0.806 -7.468 -4.644 1.00 0.11 H new ATOM 0 HA ARG A 111 1.065 -8.949 -6.053 1.00 0.12 H new ATOM 0 HB2 ARG A 111 0.173 -6.048 -6.076 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.393 -6.613 -7.199 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.215 -8.297 -8.064 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.435 -7.667 -6.975 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -1.032 -5.371 -8.033 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -0.049 -6.183 -9.235 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.454 -7.583 -9.270 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -1.425 -4.229 -9.699 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -2.765 -3.833 -10.780 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -4.185 -7.062 -10.650 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -4.322 -5.432 -11.316 1.00 3.55 H new ATOM 999 N VAL A 112 2.369 -6.362 -4.468 1.00 0.10 N ATOM 1000 CA VAL A 112 3.626 -5.723 -4.128 1.00 0.10 C ATOM 1001 C VAL A 112 4.363 -6.462 -3.041 1.00 0.11 C ATOM 1002 O VAL A 112 5.561 -6.630 -3.135 1.00 0.12 O ATOM 1003 CB VAL A 112 3.465 -4.250 -3.702 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.268 -3.368 -4.910 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.317 -4.069 -2.737 1.00 0.10 C ATOM 0 H VAL A 112 1.538 -5.834 -4.202 1.00 0.10 H new ATOM 0 HA VAL A 112 4.208 -5.753 -5.049 1.00 0.10 H new ATOM 0 HB VAL A 112 4.382 -3.957 -3.191 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.156 -2.332 -4.590 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.133 -3.453 -5.568 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.372 -3.681 -5.447 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.236 -3.018 -2.461 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.390 -4.392 -3.210 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.496 -4.666 -1.843 1.00 0.10 H new ATOM 1015 N LEU A 113 3.654 -6.901 -2.018 1.00 0.10 N ATOM 1016 CA LEU A 113 4.280 -7.629 -0.924 1.00 0.11 C ATOM 1017 C LEU A 113 5.005 -8.863 -1.423 1.00 0.12 C ATOM 1018 O LEU A 113 6.190 -9.062 -1.158 1.00 0.14 O ATOM 1019 CB LEU A 113 3.231 -8.038 0.090 1.00 0.11 C ATOM 1020 CG LEU A 113 3.108 -7.077 1.248 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.930 -6.150 1.037 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.008 -7.823 2.562 1.00 0.28 C ATOM 0 H LEU A 113 2.648 -6.768 -1.919 1.00 0.10 H new ATOM 0 HA LEU A 113 5.010 -6.967 -0.458 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.266 -8.118 -0.410 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.475 -9.029 0.474 1.00 0.11 H new ATOM 0 HG LEU A 113 4.010 -6.466 1.294 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.853 -5.462 1.879 1.00 0.31 H new ATOM 0 HD12 LEU A 113 2.074 -5.583 0.117 1.00 0.31 H new ATOM 0 HD13 LEU A 113 1.014 -6.737 0.962 1.00 0.31 H new ATOM 0 HD21 LEU A 113 2.920 -7.108 3.380 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.130 -8.468 2.548 1.00 0.28 H new ATOM 0 HD23 LEU A 113 3.902 -8.430 2.705 1.00 0.28 H new ATOM 1034 N SER A 114 4.271 -9.671 -2.150 1.00 0.13 N ATOM 1035 CA SER A 114 4.793 -10.905 -2.727 1.00 0.15 C ATOM 1036 C SER A 114 5.994 -10.619 -3.618 1.00 0.15 C ATOM 1037 O SER A 114 7.019 -11.300 -3.544 1.00 0.17 O ATOM 1038 CB SER A 114 3.696 -11.606 -3.525 1.00 0.17 C ATOM 1039 OG SER A 114 2.540 -11.804 -2.726 1.00 1.00 O ATOM 0 H SER A 114 3.289 -9.498 -2.364 1.00 0.13 H new ATOM 0 HA SER A 114 5.120 -11.558 -1.918 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.440 -11.010 -4.401 1.00 0.17 H new ATOM 0 HB3 SER A 114 4.061 -12.567 -3.888 1.00 0.17 H new ATOM 0 HG SER A 114 1.855 -11.148 -2.973 1.00 1.00 H new ATOM 1045 N ARG A 115 5.868 -9.594 -4.443 1.00 0.13 N ATOM 1046 CA ARG A 115 6.946 -9.182 -5.316 1.00 0.14 C ATOM 1047 C ARG A 115 8.104 -8.613 -4.503 1.00 0.14 C ATOM 1048 O ARG A 115 9.262 -8.831 -4.826 1.00 0.18 O ATOM 1049 CB ARG A 115 6.423 -8.135 -6.293 1.00 0.17 C ATOM 1050 CG ARG A 115 5.379 -8.667 -7.255 1.00 0.24 C ATOM 1051 CD ARG A 115 4.769 -7.545 -8.073 1.00 0.35 C ATOM 1052 NE ARG A 115 3.721 -8.024 -8.972 1.00 0.84 N ATOM 1053 CZ ARG A 115 3.176 -7.294 -9.944 1.00 1.19 C ATOM 1054 NH1 ARG A 115 3.559 -6.038 -10.135 1.00 1.20 N ATOM 1055 NH2 ARG A 115 2.228 -7.814 -10.712 1.00 1.83 N ATOM 0 H ARG A 115 5.022 -9.030 -4.524 1.00 0.13 H new ATOM 0 HA ARG A 115 7.313 -10.047 -5.869 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.996 -7.306 -5.729 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.260 -7.734 -6.864 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.833 -9.401 -7.920 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.596 -9.183 -6.699 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.354 -6.793 -7.402 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.550 -7.056 -8.656 1.00 0.35 H new ATOM 0 HE ARG A 115 3.385 -8.979 -8.847 1.00 0.84 H new ATOM 0 HH11 ARG A 115 4.275 -5.626 -9.536 1.00 1.20 H new ATOM 0 HH12 ARG A 115 3.138 -5.484 -10.881 1.00 1.20 H new ATOM 0 HH21 ARG A 115 1.916 -8.773 -10.558 1.00 1.83 H new ATOM 0 HH22 ARG A 115 1.811 -7.255 -11.456 1.00 1.83 H new ATOM 1069 N ALA A 116 7.762 -7.889 -3.449 1.00 0.13 N ATOM 1070 CA ALA A 116 8.748 -7.211 -2.601 1.00 0.14 C ATOM 1071 C ALA A 116 9.652 -8.192 -1.865 1.00 0.16 C ATOM 1072 O ALA A 116 10.855 -7.970 -1.757 1.00 0.18 O ATOM 1073 CB ALA A 116 8.046 -6.292 -1.616 1.00 0.15 C ATOM 0 H ALA A 116 6.796 -7.751 -3.152 1.00 0.13 H new ATOM 0 HA ALA A 116 9.388 -6.618 -3.255 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.787 -5.794 -0.991 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.470 -5.545 -2.162 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.376 -6.877 -0.987 1.00 0.15 H new ATOM 1079 N ARG A 117 9.075 -9.271 -1.356 1.00 0.19 N ATOM 1080 CA ARG A 117 9.859 -10.290 -0.666 1.00 0.24 C ATOM 1081 C ARG A 117 10.875 -10.923 -1.604 1.00 0.26 C ATOM 1082 O ARG A 117 11.993 -11.256 -1.205 1.00 0.32 O ATOM 1083 CB ARG A 117 8.960 -11.370 -0.077 1.00 0.28 C ATOM 1084 CG ARG A 117 8.479 -11.039 1.321 1.00 0.61 C ATOM 1085 CD ARG A 117 7.028 -10.594 1.341 1.00 0.34 C ATOM 1086 NE ARG A 117 6.117 -11.654 0.892 1.00 1.22 N ATOM 1087 CZ ARG A 117 4.852 -11.777 1.294 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.350 -10.947 2.201 1.00 1.30 N ATOM 1089 NH2 ARG A 117 4.096 -12.750 0.803 1.00 2.33 N ATOM 0 H ARG A 117 8.075 -9.465 -1.406 1.00 0.19 H new ATOM 0 HA ARG A 117 10.390 -9.796 0.148 1.00 0.24 H new ATOM 0 HB2 ARG A 117 8.098 -11.513 -0.728 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.503 -12.315 -0.055 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.597 -11.914 1.960 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.104 -10.251 1.741 1.00 0.61 H new ATOM 0 HD2 ARG A 117 6.757 -10.289 2.352 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.909 -9.720 0.701 1.00 0.34 H new ATOM 0 HE ARG A 117 6.475 -12.341 0.229 1.00 1.22 H new ATOM 0 HH11 ARG A 117 4.933 -10.209 2.595 1.00 1.30 H new ATOM 0 HH12 ARG A 117 3.381 -11.048 2.503 1.00 1.30 H new ATOM 0 HH21 ARG A 117 4.483 -13.401 0.120 1.00 2.33 H new ATOM 0 HH22 ARG A 117 3.128 -12.847 1.108 1.00 2.33 H new ATOM 1103 N SER A 118 10.477 -11.060 -2.854 1.00 0.26 N ATOM 1104 CA SER A 118 11.305 -11.690 -3.869 1.00 0.31 C ATOM 1105 C SER A 118 12.263 -10.685 -4.468 1.00 0.28 C ATOM 1106 O SER A 118 13.402 -11.004 -4.814 1.00 0.32 O ATOM 1107 CB SER A 118 10.414 -12.231 -4.973 1.00 0.37 C ATOM 1108 OG SER A 118 10.987 -13.351 -5.624 1.00 0.68 O ATOM 0 H SER A 118 9.572 -10.739 -3.196 1.00 0.26 H new ATOM 0 HA SER A 118 11.874 -12.497 -3.407 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.448 -12.512 -4.553 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.227 -11.445 -5.704 1.00 0.37 H new ATOM 0 HG SER A 118 10.380 -13.668 -6.325 1.00 0.68 H new ATOM 1114 N ARG A 119 11.786 -9.467 -4.580 1.00 0.23 N ATOM 1115 CA ARG A 119 12.506 -8.415 -5.247 1.00 0.20 C ATOM 1116 C ARG A 119 12.573 -7.171 -4.391 1.00 0.18 C ATOM 1117 O ARG A 119 11.902 -6.175 -4.665 1.00 0.17 O ATOM 1118 CB ARG A 119 11.815 -8.106 -6.558 1.00 0.25 C ATOM 1119 CG ARG A 119 12.277 -8.981 -7.693 1.00 0.33 C ATOM 1120 CD ARG A 119 13.583 -8.473 -8.277 1.00 0.33 C ATOM 1121 NE ARG A 119 14.169 -9.434 -9.201 1.00 0.55 N ATOM 1122 CZ ARG A 119 14.646 -9.115 -10.403 1.00 0.97 C ATOM 1123 NH1 ARG A 119 14.702 -7.847 -10.791 1.00 1.48 N ATOM 1124 NH2 ARG A 119 15.087 -10.063 -11.213 1.00 1.19 N ATOM 0 H ARG A 119 10.881 -9.180 -4.207 1.00 0.23 H new ATOM 0 HA ARG A 119 13.528 -8.746 -5.431 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.739 -8.225 -6.431 1.00 0.25 H new ATOM 0 HB3 ARG A 119 11.992 -7.062 -6.817 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.407 -10.004 -7.339 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.513 -9.008 -8.470 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.408 -7.530 -8.795 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.287 -8.268 -7.471 1.00 0.33 H new ATOM 0 HE ARG A 119 14.217 -10.410 -8.910 1.00 0.55 H new ATOM 0 HH11 ARG A 119 14.378 -7.108 -10.167 1.00 1.48 H new ATOM 0 HH12 ARG A 119 15.069 -7.612 -11.713 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.062 -11.039 -10.917 1.00 1.19 H new ATOM 0 HH22 ARG A 119 15.452 -9.818 -12.133 1.00 1.19 H new ATOM 1138 N PRO A 120 13.397 -7.208 -3.349 1.00 0.19 N ATOM 1139 CA PRO A 120 13.583 -6.078 -2.448 1.00 0.19 C ATOM 1140 C PRO A 120 14.323 -4.915 -3.111 1.00 0.20 C ATOM 1141 O PRO A 120 14.458 -3.843 -2.523 1.00 0.21 O ATOM 1142 CB PRO A 120 14.400 -6.683 -1.317 1.00 0.23 C ATOM 1143 CG PRO A 120 15.176 -7.747 -1.986 1.00 0.25 C ATOM 1144 CD PRO A 120 14.202 -8.367 -2.935 1.00 0.22 C ATOM 0 HA PRO A 120 12.639 -5.641 -2.122 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.051 -5.943 -0.851 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.761 -7.085 -0.531 1.00 0.23 H new ATOM 0 HG2 PRO A 120 16.040 -7.340 -2.511 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.553 -8.476 -1.269 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.701 -8.840 -3.781 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.595 -9.134 -2.454 1.00 0.22 H new ATOM 1152 N ALA A 121 14.800 -5.122 -4.339 1.00 0.20 N ATOM 1153 CA ALA A 121 15.376 -4.024 -5.107 1.00 0.22 C ATOM 1154 C ALA A 121 14.256 -3.281 -5.799 1.00 0.19 C ATOM 1155 O ALA A 121 14.268 -2.057 -5.931 1.00 0.21 O ATOM 1156 CB ALA A 121 16.375 -4.526 -6.133 1.00 0.25 C ATOM 0 H ALA A 121 14.799 -6.024 -4.814 1.00 0.20 H new ATOM 0 HA ALA A 121 15.911 -3.361 -4.427 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.784 -3.681 -6.687 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.183 -5.053 -5.626 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.876 -5.205 -6.824 1.00 0.25 H new ATOM 1162 N LYS A 122 13.272 -4.054 -6.220 1.00 0.16 N ATOM 1163 CA LYS A 122 12.096 -3.514 -6.861 1.00 0.16 C ATOM 1164 C LYS A 122 11.107 -3.021 -5.819 1.00 0.11 C ATOM 1165 O LYS A 122 10.034 -2.543 -6.155 1.00 0.11 O ATOM 1166 CB LYS A 122 11.447 -4.551 -7.757 1.00 0.20 C ATOM 1167 CG LYS A 122 12.349 -4.982 -8.887 1.00 0.27 C ATOM 1168 CD LYS A 122 11.580 -5.205 -10.165 1.00 0.41 C ATOM 1169 CE LYS A 122 10.455 -6.180 -9.958 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.668 -6.416 -11.194 1.00 1.07 N ATOM 0 H LYS A 122 13.269 -5.070 -6.126 1.00 0.16 H new ATOM 0 HA LYS A 122 12.401 -2.671 -7.481 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.174 -5.422 -7.161 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.523 -4.144 -8.168 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.114 -4.223 -9.051 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.866 -5.901 -8.609 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.181 -4.256 -10.523 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.252 -5.580 -10.937 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.861 -7.128 -9.604 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.794 -5.805 -9.177 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 8.906 -7.095 -10.996 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.256 -5.518 -11.520 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.290 -6.800 -11.934 1.00 1.07 H new ATOM 1184 N LEU A 123 11.462 -3.179 -4.547 1.00 0.10 N ATOM 1185 CA LEU A 123 10.682 -2.638 -3.447 1.00 0.08 C ATOM 1186 C LEU A 123 10.246 -1.204 -3.704 1.00 0.08 C ATOM 1187 O LEU A 123 9.094 -0.876 -3.486 1.00 0.13 O ATOM 1188 CB LEU A 123 11.494 -2.701 -2.171 1.00 0.12 C ATOM 1189 CG LEU A 123 10.787 -2.177 -0.932 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.495 -2.928 -0.694 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.690 -2.290 0.264 1.00 0.23 C ATOM 0 H LEU A 123 12.298 -3.685 -4.254 1.00 0.10 H new ATOM 0 HA LEU A 123 9.781 -3.244 -3.352 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.785 -3.737 -1.994 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.413 -2.132 -2.314 1.00 0.12 H new ATOM 0 HG LEU A 123 10.544 -1.126 -1.090 1.00 0.14 H new ATOM 0 HD11 LEU A 123 9.006 -2.537 0.198 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.837 -2.802 -1.554 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.710 -3.987 -0.554 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.174 -1.912 1.147 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.958 -3.335 0.420 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.594 -1.705 0.094 1.00 0.23 H new ATOM 1203 N TYR A 124 11.147 -0.361 -4.194 1.00 0.11 N ATOM 1204 CA TYR A 124 10.805 0.998 -4.530 1.00 0.10 C ATOM 1205 C TYR A 124 9.746 1.042 -5.610 1.00 0.11 C ATOM 1206 O TYR A 124 8.898 1.911 -5.600 1.00 0.14 O ATOM 1207 CB TYR A 124 12.057 1.737 -4.965 1.00 0.14 C ATOM 1208 CG TYR A 124 13.011 1.870 -3.828 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.500 2.003 -2.565 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.383 1.864 -3.993 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.309 2.124 -1.475 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.221 1.985 -2.906 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.678 2.118 -1.641 1.00 1.45 C ATOM 1214 OH TYR A 124 15.504 2.243 -0.549 1.00 1.89 O ATOM 0 H TYR A 124 12.122 -0.605 -4.365 1.00 0.11 H new ATOM 0 HA TYR A 124 10.389 1.488 -3.650 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.534 1.202 -5.786 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.790 2.725 -5.340 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.429 2.012 -2.429 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.802 1.764 -4.983 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.881 2.224 -0.488 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.293 1.976 -3.041 1.00 1.74 H new ATOM 0 HH TYR A 124 16.439 2.219 -0.842 1.00 1.89 H new ATOM 1224 N VAL A 125 9.748 0.065 -6.495 1.00 0.10 N ATOM 1225 CA VAL A 125 8.749 0.005 -7.547 1.00 0.12 C ATOM 1226 C VAL A 125 7.393 -0.173 -6.904 1.00 0.11 C ATOM 1227 O VAL A 125 6.404 0.441 -7.280 1.00 0.14 O ATOM 1228 CB VAL A 125 8.988 -1.200 -8.466 1.00 0.15 C ATOM 1229 CG1 VAL A 125 7.960 -1.248 -9.562 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.388 -1.187 -9.036 1.00 0.18 C ATOM 0 H VAL A 125 10.427 -0.696 -6.508 1.00 0.10 H new ATOM 0 HA VAL A 125 8.806 0.922 -8.133 1.00 0.12 H new ATOM 0 HB VAL A 125 8.885 -2.103 -7.865 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.149 -2.110 -10.201 1.00 0.20 H new ATOM 0 HG12 VAL A 125 6.965 -1.332 -9.124 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.019 -0.336 -10.156 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.526 -2.054 -9.683 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.537 -0.275 -9.614 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.112 -1.223 -8.222 1.00 0.18 H new ATOM 1240 N TYR A 126 7.406 -1.031 -5.913 1.00 0.07 N ATOM 1241 CA TYR A 126 6.237 -1.417 -5.151 1.00 0.08 C ATOM 1242 C TYR A 126 5.807 -0.301 -4.217 1.00 0.08 C ATOM 1243 O TYR A 126 4.628 0.027 -4.124 1.00 0.10 O ATOM 1244 CB TYR A 126 6.616 -2.667 -4.368 1.00 0.11 C ATOM 1245 CG TYR A 126 7.246 -3.720 -5.238 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.839 -3.905 -6.556 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.262 -4.512 -4.749 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.434 -4.862 -7.353 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.854 -5.475 -5.538 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.440 -5.641 -6.832 1.00 0.28 C ATOM 1251 OH TYR A 126 9.016 -6.621 -7.595 1.00 0.36 O ATOM 0 H TYR A 126 8.258 -1.497 -5.602 1.00 0.07 H new ATOM 0 HA TYR A 126 5.392 -1.615 -5.811 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.308 -2.397 -3.570 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.726 -3.078 -3.892 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.047 -3.292 -6.960 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.600 -4.376 -3.732 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.113 -4.997 -8.375 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.641 -6.096 -5.137 1.00 0.27 H new ATOM 0 HH TYR A 126 8.409 -6.866 -8.325 1.00 0.36 H new ATOM 1261 N ILE A 127 6.778 0.267 -3.525 1.00 0.08 N ATOM 1262 CA ILE A 127 6.565 1.419 -2.670 1.00 0.11 C ATOM 1263 C ILE A 127 5.980 2.562 -3.475 1.00 0.12 C ATOM 1264 O ILE A 127 4.938 3.117 -3.126 1.00 0.14 O ATOM 1265 CB ILE A 127 7.903 1.853 -2.044 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.397 0.780 -1.090 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.781 3.179 -1.325 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.863 0.907 -0.772 1.00 0.13 C ATOM 0 H ILE A 127 7.744 -0.061 -3.541 1.00 0.08 H new ATOM 0 HA ILE A 127 5.866 1.151 -1.878 1.00 0.11 H new ATOM 0 HB ILE A 127 8.625 1.983 -2.850 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.824 0.833 -0.164 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.209 -0.201 -1.526 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.746 3.451 -0.897 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.467 3.948 -2.031 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.042 3.094 -0.529 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.157 0.113 -0.086 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.443 0.826 -1.691 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.052 1.875 -0.308 1.00 0.13 H new ATOM 1280 N ASN A 128 6.651 2.892 -4.571 1.00 0.12 N ATOM 1281 CA ASN A 128 6.157 3.919 -5.481 1.00 0.15 C ATOM 1282 C ASN A 128 4.812 3.522 -6.082 1.00 0.12 C ATOM 1283 O ASN A 128 3.952 4.373 -6.276 1.00 0.12 O ATOM 1284 CB ASN A 128 7.168 4.219 -6.594 1.00 0.20 C ATOM 1285 CG ASN A 128 8.337 5.061 -6.100 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.286 6.291 -6.133 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.393 4.402 -5.641 1.00 0.42 N ATOM 0 H ASN A 128 7.535 2.466 -4.851 1.00 0.12 H new ATOM 0 HA ASN A 128 6.019 4.828 -4.895 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.545 3.281 -7.002 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.665 4.741 -7.408 1.00 0.20 H new ATOM 0 HD21 ASN A 128 10.205 4.915 -5.297 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.393 3.382 -5.632 1.00 0.42 H new ATOM 1294 N GLU A 129 4.635 2.236 -6.372 1.00 0.11 N ATOM 1295 CA GLU A 129 3.363 1.722 -6.867 1.00 0.10 C ATOM 1296 C GLU A 129 2.244 2.031 -5.902 1.00 0.09 C ATOM 1297 O GLU A 129 1.293 2.721 -6.239 1.00 0.14 O ATOM 1298 CB GLU A 129 3.429 0.219 -7.042 1.00 0.14 C ATOM 1299 CG GLU A 129 2.818 -0.253 -8.333 1.00 0.26 C ATOM 1300 CD GLU A 129 1.393 0.213 -8.569 1.00 1.41 C ATOM 1301 OE1 GLU A 129 1.199 1.368 -9.002 1.00 2.29 O ATOM 1302 OE2 GLU A 129 0.465 -0.595 -8.360 1.00 1.55 O ATOM 0 H GLU A 129 5.362 1.527 -6.272 1.00 0.11 H new ATOM 0 HA GLU A 129 3.169 2.205 -7.825 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.471 -0.100 -7.002 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.917 -0.261 -6.208 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.440 0.090 -9.160 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.837 -1.343 -8.351 1.00 0.26 H new ATOM 1309 N LEU A 130 2.399 1.530 -4.695 1.00 0.07 N ATOM 1310 CA LEU A 130 1.395 1.662 -3.664 1.00 0.08 C ATOM 1311 C LEU A 130 1.156 3.133 -3.366 1.00 0.09 C ATOM 1312 O LEU A 130 0.024 3.567 -3.217 1.00 0.10 O ATOM 1313 CB LEU A 130 1.842 0.928 -2.410 1.00 0.08 C ATOM 1314 CG LEU A 130 0.710 0.345 -1.575 1.00 0.09 C ATOM 1315 CD1 LEU A 130 -0.020 -0.738 -2.344 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.259 -0.202 -0.276 1.00 0.08 C ATOM 0 H LEU A 130 3.230 1.017 -4.401 1.00 0.07 H new ATOM 0 HA LEU A 130 0.461 1.220 -4.010 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.515 0.121 -2.699 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.417 1.615 -1.789 1.00 0.08 H new ATOM 0 HG LEU A 130 -0.004 1.137 -1.350 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.825 -1.141 -1.729 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.438 -0.316 -3.258 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.677 -1.536 -2.598 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.444 -0.618 0.317 1.00 0.08 H new ATOM 0 HD22 LEU A 130 1.988 -0.984 -0.490 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.741 0.601 0.282 1.00 0.08 H new ATOM 1328 N CYS A 131 2.238 3.898 -3.318 1.00 0.11 N ATOM 1329 CA CYS A 131 2.149 5.340 -3.147 1.00 0.13 C ATOM 1330 C CYS A 131 1.306 5.956 -4.261 1.00 0.13 C ATOM 1331 O CYS A 131 0.428 6.778 -4.009 1.00 0.14 O ATOM 1332 CB CYS A 131 3.550 5.953 -3.151 1.00 0.18 C ATOM 1333 SG CYS A 131 3.572 7.756 -3.266 1.00 1.39 S ATOM 0 H CYS A 131 3.191 3.542 -3.395 1.00 0.11 H new ATOM 0 HA CYS A 131 1.670 5.550 -2.191 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.068 5.652 -2.240 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.112 5.540 -3.989 1.00 0.18 H new ATOM 0 HG CYS A 131 4.430 8.235 -2.415 1.00 1.39 H new ATOM 1339 N THR A 132 1.579 5.536 -5.489 1.00 0.12 N ATOM 1340 CA THR A 132 0.851 6.015 -6.660 1.00 0.14 C ATOM 1341 C THR A 132 -0.604 5.554 -6.598 1.00 0.11 C ATOM 1342 O THR A 132 -1.529 6.320 -6.861 1.00 0.15 O ATOM 1343 CB THR A 132 1.512 5.505 -7.958 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.872 5.954 -8.017 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.765 5.983 -9.188 1.00 0.24 C ATOM 0 H THR A 132 2.309 4.856 -5.703 1.00 0.12 H new ATOM 0 HA THR A 132 0.880 7.105 -6.662 1.00 0.14 H new ATOM 0 HB THR A 132 1.480 4.416 -7.945 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.355 5.640 -7.224 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.259 5.605 -10.083 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.261 5.615 -9.156 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.759 7.073 -9.210 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.775 4.291 -6.258 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.072 3.696 -5.979 1.00 0.07 C ATOM 1355 C VAL A 133 -2.883 4.517 -4.982 1.00 0.07 C ATOM 1356 O VAL A 133 -4.062 4.807 -5.197 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.853 2.286 -5.417 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.077 1.758 -4.705 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.442 1.346 -6.526 1.00 0.10 C ATOM 0 H VAL A 133 -0.000 3.634 -6.165 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.638 3.664 -6.910 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.054 2.347 -4.678 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.873 0.757 -4.325 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.328 2.418 -3.874 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.914 1.718 -5.402 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.289 0.347 -6.118 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.225 1.312 -7.283 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.515 1.700 -6.978 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.242 4.887 -3.896 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.895 5.630 -2.835 1.00 0.11 C ATOM 1371 C LEU A 134 -3.091 7.082 -3.246 1.00 0.14 C ATOM 1372 O LEU A 134 -4.020 7.743 -2.800 1.00 0.18 O ATOM 1373 CB LEU A 134 -2.064 5.522 -1.567 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.804 4.087 -1.103 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.756 4.059 -0.008 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.094 3.435 -0.638 1.00 0.16 C ATOM 0 H LEU A 134 -1.258 4.684 -3.721 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.882 5.208 -2.645 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.107 6.017 -1.731 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.570 6.063 -0.768 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.421 3.516 -1.949 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.587 3.029 0.307 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.176 4.481 -0.385 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.102 4.646 0.842 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.889 2.415 -0.312 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.511 4.005 0.192 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.809 3.416 -1.460 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.208 7.567 -4.110 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.318 8.868 -4.699 1.00 0.17 C ATOM 1390 C LYS A 135 -3.519 8.874 -5.631 1.00 0.15 C ATOM 1391 O LYS A 135 -4.196 9.885 -5.816 1.00 0.18 O ATOM 1392 CB LYS A 135 -1.029 9.123 -5.480 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.628 10.567 -5.543 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.619 11.376 -6.349 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.593 11.000 -7.828 1.00 1.32 C ATOM 1396 NZ LYS A 135 -0.241 11.160 -8.430 1.00 1.82 N ATOM 0 H LYS A 135 -1.386 7.047 -4.417 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.455 9.646 -3.948 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.221 8.552 -5.023 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.151 8.746 -6.495 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.560 10.972 -4.533 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.363 10.653 -5.989 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.622 11.220 -5.953 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.395 12.437 -6.240 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -1.919 9.966 -7.943 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -2.305 11.621 -8.371 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -0.320 11.160 -9.467 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 0.175 12.059 -8.115 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 0.368 10.373 -8.129 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.779 7.708 -6.192 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.854 7.526 -7.126 1.00 0.14 C ATOM 1412 C ALA A 136 -6.192 7.526 -6.408 1.00 0.16 C ATOM 1413 O ALA A 136 -7.183 8.056 -6.910 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.658 6.214 -7.866 1.00 0.17 C ATOM 0 H ALA A 136 -3.242 6.861 -6.006 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.850 8.351 -7.838 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.472 6.072 -8.576 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.709 6.237 -8.402 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.652 5.391 -7.152 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.209 6.941 -5.217 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.456 6.698 -4.505 1.00 0.23 C ATOM 1422 C HIS A 137 -7.392 7.244 -3.085 1.00 0.24 C ATOM 1423 O HIS A 137 -7.786 6.575 -2.135 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.761 5.197 -4.474 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.605 4.522 -5.802 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -8.152 5.007 -6.966 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.914 3.415 -6.151 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.799 4.230 -7.970 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -7.051 3.249 -7.505 1.00 0.34 N ATOM 0 H HIS A 137 -5.373 6.626 -4.724 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.255 7.217 -5.035 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -7.101 4.716 -3.752 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.781 5.050 -4.120 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -6.355 2.776 -5.484 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -8.077 4.373 -9.004 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.644 2.495 -8.058 1.00 0.34 H new