USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 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 44 CYS SG : rot 131:sc= 0.32 USER MOD Set 1.2: A 69 MET CE :methyl 180:sc= -1.28 (180deg=-1.28) USER MOD Set 2.1: A 11 SER OG : rot 64:sc= 1.32 USER MOD Set 2.2: A 12 GLN : amide:sc= 1.87 K(o=3.2,f=-9.8!) USER MOD Single : A 14 HIS : no HD1:sc= -0.314 X(o=-0.31,f=0.066) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.086 X(o=-0.086,f=0) USER MOD Single : A 22 MET CE :methyl 166:sc= 0 (180deg=-0.135) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 25 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-7.7!) USER MOD Single : A 27 LYS NZ :NH3+ -141:sc= 0.897 (180deg=-0.201) USER MOD Single : A 42 THR OG1 : rot -130:sc= -0.403 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0.442 (180deg=0.231) USER MOD Single : A 74 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.0068) USER MOD Single : A 75 LYS NZ :NH3+ -92:sc= 0.639 (180deg=-0.528!) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -53.613 19.404 -1.839 1.00 0.00 N ATOM 122 CA PRO A 9 -54.164 20.517 -1.036 1.00 0.00 C ATOM 123 C PRO A 9 -53.154 20.978 0.036 1.00 0.00 C ATOM 124 O PRO A 9 -53.444 20.971 1.231 1.00 0.00 O ATOM 125 CB PRO A 9 -55.418 19.904 -0.400 1.00 0.00 C ATOM 126 CG PRO A 9 -55.207 18.372 -0.404 1.00 0.00 C ATOM 127 CD PRO A 9 -54.145 18.073 -1.476 1.00 0.00 C ATOM 0 HA PRO A 9 -54.382 21.407 -1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -55.558 20.274 0.616 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -56.311 20.174 -0.964 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -54.877 18.025 0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -56.139 17.854 -0.628 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -53.361 17.422 -1.089 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -54.581 17.569 -2.339 1.00 0.00 H new ATOM 135 N ILE A 10 -51.977 21.385 -0.369 1.00 0.00 N ATOM 136 CA ILE A 10 -50.952 21.849 0.624 1.00 0.00 C ATOM 137 C ILE A 10 -50.270 23.126 0.108 1.00 0.00 C ATOM 138 O ILE A 10 -50.467 24.213 0.652 1.00 0.00 O ATOM 139 CB ILE A 10 -49.903 20.742 0.834 1.00 0.00 C ATOM 140 CG1 ILE A 10 -50.561 19.511 1.474 1.00 0.00 C ATOM 141 CG2 ILE A 10 -48.786 21.246 1.752 1.00 0.00 C ATOM 142 CD1 ILE A 10 -51.054 19.850 2.885 1.00 0.00 C ATOM 0 H ILE A 10 -51.679 21.417 -1.344 1.00 0.00 H new ATOM 0 HA ILE A 10 -51.440 22.067 1.574 1.00 0.00 H new ATOM 0 HB ILE A 10 -49.484 20.470 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -51.396 19.175 0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -49.847 18.689 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -48.048 20.456 1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -48.306 22.113 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -49.207 21.528 2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -51.519 18.970 3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -50.210 20.164 3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -51.784 20.658 2.831 1.00 0.00 H new ATOM 154 N SER A 11 -49.479 23.020 -0.931 1.00 0.00 N ATOM 155 CA SER A 11 -48.782 24.228 -1.489 1.00 0.00 C ATOM 156 C SER A 11 -49.808 25.314 -1.820 1.00 0.00 C ATOM 157 O SER A 11 -49.778 26.410 -1.261 1.00 0.00 O ATOM 158 CB SER A 11 -48.028 23.842 -2.767 1.00 0.00 C ATOM 159 OG SER A 11 -48.538 22.604 -3.259 1.00 0.00 O ATOM 0 H SER A 11 -49.283 22.147 -1.421 1.00 0.00 H new ATOM 0 HA SER A 11 -48.079 24.607 -0.747 1.00 0.00 H new ATOM 0 HB2 SER A 11 -48.143 24.621 -3.520 1.00 0.00 H new ATOM 0 HB3 SER A 11 -46.961 23.753 -2.561 1.00 0.00 H new ATOM 0 HG SER A 11 -49.478 22.715 -3.513 1.00 0.00 H new ATOM 165 N GLN A 12 -50.713 25.023 -2.714 1.00 0.00 N ATOM 166 CA GLN A 12 -51.758 26.019 -3.104 1.00 0.00 C ATOM 167 C GLN A 12 -52.477 26.558 -1.854 1.00 0.00 C ATOM 168 O GLN A 12 -52.854 27.726 -1.798 1.00 0.00 O ATOM 169 CB GLN A 12 -52.763 25.346 -4.045 1.00 0.00 C ATOM 170 CG GLN A 12 -52.047 24.921 -5.337 1.00 0.00 C ATOM 171 CD GLN A 12 -51.618 23.453 -5.241 1.00 0.00 C ATOM 172 OE1 GLN A 12 -50.672 23.120 -4.533 1.00 0.00 O ATOM 173 NE2 GLN A 12 -52.263 22.552 -5.916 1.00 0.00 N ATOM 0 H GLN A 12 -50.776 24.127 -3.198 1.00 0.00 H new ATOM 0 HA GLN A 12 -51.286 26.859 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -53.207 24.477 -3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -53.577 26.033 -4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -52.709 25.060 -6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -51.175 25.553 -5.504 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -53.050 22.823 -6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -51.983 21.573 -5.857 1.00 0.00 H new ATOM 182 N VAL A 13 -52.653 25.744 -0.838 1.00 0.00 N ATOM 183 CA VAL A 13 -53.320 26.240 0.411 1.00 0.00 C ATOM 184 C VAL A 13 -52.447 27.343 1.020 1.00 0.00 C ATOM 185 O VAL A 13 -52.927 28.423 1.369 1.00 0.00 O ATOM 186 CB VAL A 13 -53.476 25.092 1.421 1.00 0.00 C ATOM 187 CG1 VAL A 13 -54.239 25.584 2.649 1.00 0.00 C ATOM 188 CG2 VAL A 13 -54.260 23.943 0.790 1.00 0.00 C ATOM 0 H VAL A 13 -52.366 24.765 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 13 -54.310 26.628 0.170 1.00 0.00 H new ATOM 0 HB VAL A 13 -52.483 24.747 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -54.347 24.767 3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -53.690 26.402 3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -55.226 25.935 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -54.365 23.134 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -55.248 24.296 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -53.727 23.578 -0.088 1.00 0.00 H new ATOM 198 N HIS A 14 -51.168 27.096 1.124 1.00 0.00 N ATOM 199 CA HIS A 14 -50.244 28.124 1.675 1.00 0.00 C ATOM 200 C HIS A 14 -50.182 29.306 0.696 1.00 0.00 C ATOM 201 O HIS A 14 -50.152 30.465 1.101 1.00 0.00 O ATOM 202 CB HIS A 14 -48.855 27.503 1.843 1.00 0.00 C ATOM 203 CG HIS A 14 -48.835 26.644 3.077 1.00 0.00 C ATOM 204 ND1 HIS A 14 -48.108 26.989 4.201 1.00 0.00 N ATOM 205 CD2 HIS A 14 -49.452 25.455 3.380 1.00 0.00 C ATOM 206 CE1 HIS A 14 -48.302 26.026 5.123 1.00 0.00 C ATOM 207 NE2 HIS A 14 -49.114 25.067 4.672 1.00 0.00 N ATOM 0 H HIS A 14 -50.723 26.220 0.849 1.00 0.00 H new ATOM 0 HA HIS A 14 -50.597 28.477 2.644 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -48.604 26.905 0.967 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -48.102 28.287 1.921 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -50.101 24.905 2.715 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -47.855 26.029 6.106 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -49.420 24.230 5.168 1.00 0.00 H new ATOM 215 N GLU A 15 -50.187 29.031 -0.587 1.00 0.00 N ATOM 216 CA GLU A 15 -50.154 30.131 -1.602 1.00 0.00 C ATOM 217 C GLU A 15 -51.409 31.001 -1.445 1.00 0.00 C ATOM 218 O GLU A 15 -51.332 32.229 -1.425 1.00 0.00 O ATOM 219 CB GLU A 15 -50.126 29.526 -3.009 1.00 0.00 C ATOM 220 CG GLU A 15 -48.727 28.972 -3.305 1.00 0.00 C ATOM 221 CD GLU A 15 -48.737 28.222 -4.635 1.00 0.00 C ATOM 222 OE1 GLU A 15 -49.112 27.061 -4.636 1.00 0.00 O ATOM 223 OE2 GLU A 15 -48.366 28.822 -5.630 1.00 0.00 O ATOM 0 H GLU A 15 -50.213 28.088 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 15 -49.263 30.741 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -50.867 28.731 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -50.391 30.283 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -48.004 29.787 -3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -48.413 28.304 -2.503 1.00 0.00 H new ATOM 230 N ILE A 16 -52.562 30.388 -1.318 1.00 0.00 N ATOM 231 CA ILE A 16 -53.822 31.177 -1.143 1.00 0.00 C ATOM 232 C ILE A 16 -53.707 32.017 0.139 1.00 0.00 C ATOM 233 O ILE A 16 -53.963 33.221 0.133 1.00 0.00 O ATOM 234 CB ILE A 16 -55.020 30.211 -1.066 1.00 0.00 C ATOM 235 CG1 ILE A 16 -55.678 30.106 -2.444 1.00 0.00 C ATOM 236 CG2 ILE A 16 -56.061 30.717 -0.065 1.00 0.00 C ATOM 237 CD1 ILE A 16 -55.180 28.846 -3.152 1.00 0.00 C ATOM 0 H ILE A 16 -52.684 29.375 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 16 -53.975 31.847 -1.989 1.00 0.00 H new ATOM 0 HB ILE A 16 -54.655 29.236 -0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -56.762 30.073 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -55.442 30.988 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -56.898 30.020 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -55.608 30.795 0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -56.420 31.698 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -55.648 28.771 -4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -54.098 28.898 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -55.438 27.969 -2.559 1.00 0.00 H new ATOM 249 N GLY A 17 -53.301 31.412 1.231 1.00 0.00 N ATOM 250 CA GLY A 17 -53.142 32.185 2.503 1.00 0.00 C ATOM 251 C GLY A 17 -52.118 33.300 2.277 1.00 0.00 C ATOM 252 O GLY A 17 -52.370 34.464 2.570 1.00 0.00 O ATOM 0 H GLY A 17 -53.074 30.420 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -54.099 32.608 2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -52.812 31.526 3.306 1.00 0.00 H new ATOM 256 N ILE A 18 -50.977 32.968 1.733 1.00 0.00 N ATOM 257 CA ILE A 18 -49.937 34.008 1.455 1.00 0.00 C ATOM 258 C ILE A 18 -50.528 35.072 0.515 1.00 0.00 C ATOM 259 O ILE A 18 -50.320 36.272 0.700 1.00 0.00 O ATOM 260 CB ILE A 18 -48.722 33.341 0.793 1.00 0.00 C ATOM 261 CG1 ILE A 18 -47.951 32.532 1.838 1.00 0.00 C ATOM 262 CG2 ILE A 18 -47.794 34.406 0.204 1.00 0.00 C ATOM 263 CD1 ILE A 18 -46.882 31.687 1.142 1.00 0.00 C ATOM 0 H ILE A 18 -50.718 32.018 1.467 1.00 0.00 H new ATOM 0 HA ILE A 18 -49.624 34.483 2.385 1.00 0.00 H new ATOM 0 HB ILE A 18 -49.071 32.684 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -47.486 33.202 2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -48.634 31.889 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -46.936 33.923 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -48.335 34.987 -0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -47.450 35.068 0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -46.332 31.110 1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -47.358 31.007 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -46.192 32.341 0.608 1.00 0.00 H new ATOM 275 N LYS A 19 -51.271 34.647 -0.479 1.00 0.00 N ATOM 276 CA LYS A 19 -51.902 35.602 -1.447 1.00 0.00 C ATOM 277 C LYS A 19 -52.559 36.771 -0.701 1.00 0.00 C ATOM 278 O LYS A 19 -52.397 37.934 -1.070 1.00 0.00 O ATOM 279 CB LYS A 19 -52.969 34.854 -2.253 1.00 0.00 C ATOM 280 CG LYS A 19 -52.890 35.272 -3.719 1.00 0.00 C ATOM 281 CD LYS A 19 -51.669 34.611 -4.362 1.00 0.00 C ATOM 282 CE LYS A 19 -51.085 35.536 -5.426 1.00 0.00 C ATOM 283 NZ LYS A 19 -51.528 35.059 -6.764 1.00 0.00 N ATOM 0 H LYS A 19 -51.470 33.664 -0.664 1.00 0.00 H new ATOM 0 HA LYS A 19 -51.133 35.999 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -52.820 33.778 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -53.960 35.073 -1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -53.798 34.976 -4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -52.816 36.357 -3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -50.918 34.395 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -51.953 33.659 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -51.418 36.561 -5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -49.997 35.541 -5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -51.137 35.680 -7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -51.190 34.087 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -52.567 35.076 -6.812 1.00 0.00 H new ATOM 297 N ARG A 20 -53.296 36.490 0.338 1.00 0.00 N ATOM 298 CA ARG A 20 -53.957 37.588 1.101 1.00 0.00 C ATOM 299 C ARG A 20 -53.247 37.803 2.449 1.00 0.00 C ATOM 300 O ARG A 20 -53.807 38.411 3.365 1.00 0.00 O ATOM 301 CB ARG A 20 -55.429 37.222 1.333 1.00 0.00 C ATOM 302 CG ARG A 20 -56.297 37.911 0.275 1.00 0.00 C ATOM 303 CD ARG A 20 -56.645 39.329 0.735 1.00 0.00 C ATOM 304 NE ARG A 20 -55.424 40.192 0.650 1.00 0.00 N ATOM 305 CZ ARG A 20 -55.206 41.106 1.536 1.00 0.00 C ATOM 306 NH1 ARG A 20 -54.806 40.778 2.718 1.00 0.00 N ATOM 307 NH2 ARG A 20 -55.386 42.345 1.229 1.00 0.00 N ATOM 0 H ARG A 20 -53.469 35.549 0.692 1.00 0.00 H new ATOM 0 HA ARG A 20 -53.896 38.514 0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -55.559 36.141 1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -55.739 37.531 2.331 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -55.767 37.947 -0.677 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -57.209 37.338 0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -57.439 39.741 0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -57.020 39.310 1.758 1.00 0.00 H new ATOM 0 HE ARG A 20 -54.760 40.057 -0.113 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -54.662 39.796 2.953 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -54.634 41.501 3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -55.699 42.598 0.292 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -55.216 43.072 1.924 1.00 0.00 H new ATOM 321 N ASN A 21 -52.028 37.327 2.583 1.00 0.00 N ATOM 322 CA ASN A 21 -51.269 37.493 3.864 1.00 0.00 C ATOM 323 C ASN A 21 -52.042 36.812 5.008 1.00 0.00 C ATOM 324 O ASN A 21 -52.318 37.406 6.050 1.00 0.00 O ATOM 325 CB ASN A 21 -51.072 38.989 4.153 1.00 0.00 C ATOM 326 CG ASN A 21 -49.705 39.442 3.636 1.00 0.00 C ATOM 327 OD1 ASN A 21 -49.000 40.181 4.308 1.00 0.00 O ATOM 328 ND2 ASN A 21 -49.286 39.043 2.472 1.00 0.00 N ATOM 0 H ASN A 21 -51.524 36.826 1.851 1.00 0.00 H new ATOM 0 HA ASN A 21 -50.288 37.025 3.779 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -51.862 39.568 3.675 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -51.145 39.174 5.225 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -48.376 39.347 2.126 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -49.867 38.426 1.905 1.00 0.00 H new ATOM 335 N MET A 22 -52.404 35.571 4.816 1.00 0.00 N ATOM 336 CA MET A 22 -53.169 34.822 5.854 1.00 0.00 C ATOM 337 C MET A 22 -52.430 33.521 6.219 1.00 0.00 C ATOM 338 O MET A 22 -52.211 32.653 5.374 1.00 0.00 O ATOM 339 CB MET A 22 -54.554 34.489 5.287 1.00 0.00 C ATOM 340 CG MET A 22 -55.413 35.756 5.262 1.00 0.00 C ATOM 341 SD MET A 22 -57.057 35.355 4.622 1.00 0.00 S ATOM 342 CE MET A 22 -57.968 36.639 5.515 1.00 0.00 C ATOM 0 H MET A 22 -52.199 35.038 3.971 1.00 0.00 H new ATOM 0 HA MET A 22 -53.266 35.430 6.754 1.00 0.00 H new ATOM 0 HB2 MET A 22 -54.458 34.082 4.281 1.00 0.00 H new ATOM 0 HB3 MET A 22 -55.034 33.723 5.897 1.00 0.00 H new ATOM 0 HG2 MET A 22 -55.493 36.174 6.265 1.00 0.00 H new ATOM 0 HG3 MET A 22 -54.943 36.515 4.637 1.00 0.00 H new ATOM 0 HE1 MET A 22 -58.965 36.742 5.087 1.00 0.00 H new ATOM 0 HE2 MET A 22 -58.051 36.362 6.566 1.00 0.00 H new ATOM 0 HE3 MET A 22 -57.437 37.587 5.430 1.00 0.00 H new ATOM 352 N THR A 23 -52.045 33.371 7.460 1.00 0.00 N ATOM 353 CA THR A 23 -51.322 32.127 7.889 1.00 0.00 C ATOM 354 C THR A 23 -52.270 30.925 7.818 1.00 0.00 C ATOM 355 O THR A 23 -53.416 31.000 8.249 1.00 0.00 O ATOM 356 CB THR A 23 -50.825 32.290 9.332 1.00 0.00 C ATOM 357 OG1 THR A 23 -51.269 33.538 9.847 1.00 0.00 O ATOM 358 CG2 THR A 23 -49.298 32.256 9.359 1.00 0.00 C ATOM 0 H THR A 23 -52.199 34.056 8.200 1.00 0.00 H new ATOM 0 HA THR A 23 -50.474 31.963 7.225 1.00 0.00 H new ATOM 0 HB THR A 23 -51.220 31.476 9.940 1.00 0.00 H new ATOM 0 HG1 THR A 23 -50.954 33.642 10.769 1.00 0.00 H new ATOM 0 HG21 THR A 23 -48.950 32.372 10.385 1.00 0.00 H new ATOM 0 HG22 THR A 23 -48.948 31.303 8.963 1.00 0.00 H new ATOM 0 HG23 THR A 23 -48.905 33.069 8.748 1.00 0.00 H new ATOM 366 N VAL A 24 -51.811 29.822 7.284 1.00 0.00 N ATOM 367 CA VAL A 24 -52.682 28.607 7.182 1.00 0.00 C ATOM 368 C VAL A 24 -52.205 27.542 8.184 1.00 0.00 C ATOM 369 O VAL A 24 -51.122 26.969 8.041 1.00 0.00 O ATOM 370 CB VAL A 24 -52.606 28.041 5.757 1.00 0.00 C ATOM 371 CG1 VAL A 24 -53.526 26.828 5.636 1.00 0.00 C ATOM 372 CG2 VAL A 24 -53.056 29.105 4.753 1.00 0.00 C ATOM 0 H VAL A 24 -50.868 29.708 6.912 1.00 0.00 H new ATOM 0 HA VAL A 24 -53.712 28.881 7.410 1.00 0.00 H new ATOM 0 HB VAL A 24 -51.577 27.748 5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -53.470 26.428 4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -53.214 26.062 6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -54.552 27.126 5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -53.000 28.699 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -54.083 29.399 4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -52.405 29.976 4.830 1.00 0.00 H new ATOM 382 N HIS A 25 -52.981 27.269 9.202 1.00 0.00 N ATOM 383 CA HIS A 25 -52.557 26.245 10.215 1.00 0.00 C ATOM 384 C HIS A 25 -53.710 25.260 10.501 1.00 0.00 C ATOM 385 O HIS A 25 -54.740 25.628 11.079 1.00 0.00 O ATOM 386 CB HIS A 25 -52.146 26.951 11.518 1.00 0.00 C ATOM 387 CG HIS A 25 -51.107 28.009 11.241 1.00 0.00 C ATOM 388 ND1 HIS A 25 -50.181 27.895 10.218 1.00 0.00 N ATOM 389 CD2 HIS A 25 -50.831 29.203 11.860 1.00 0.00 C ATOM 390 CE1 HIS A 25 -49.396 28.989 10.255 1.00 0.00 C ATOM 391 NE2 HIS A 25 -49.751 29.818 11.238 1.00 0.00 N ATOM 0 H HIS A 25 -53.886 27.706 9.378 1.00 0.00 H new ATOM 0 HA HIS A 25 -51.710 25.686 9.817 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -53.021 27.405 11.984 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -51.751 26.221 12.225 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -50.107 27.122 9.556 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -51.372 29.604 12.704 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -48.579 29.172 9.573 1.00 0.00 H new ATOM 399 N PHE A 26 -53.555 24.018 10.120 1.00 0.00 N ATOM 400 CA PHE A 26 -54.632 22.999 10.366 1.00 0.00 C ATOM 401 C PHE A 26 -54.496 22.394 11.776 1.00 0.00 C ATOM 402 O PHE A 26 -53.530 22.656 12.493 1.00 0.00 O ATOM 403 CB PHE A 26 -54.509 21.878 9.325 1.00 0.00 C ATOM 404 CG PHE A 26 -54.889 22.400 7.960 1.00 0.00 C ATOM 405 CD1 PHE A 26 -56.231 22.413 7.564 1.00 0.00 C ATOM 406 CD2 PHE A 26 -53.899 22.868 7.089 1.00 0.00 C ATOM 407 CE1 PHE A 26 -56.583 22.895 6.298 1.00 0.00 C ATOM 408 CE2 PHE A 26 -54.250 23.350 5.823 1.00 0.00 C ATOM 409 CZ PHE A 26 -55.592 23.363 5.427 1.00 0.00 C ATOM 0 H PHE A 26 -52.726 23.659 9.646 1.00 0.00 H new ATOM 0 HA PHE A 26 -55.603 23.487 10.285 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -53.488 21.497 9.307 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -55.156 21.044 9.598 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -56.995 22.051 8.235 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -52.863 22.857 7.394 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -57.619 22.906 5.993 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -53.485 23.712 5.152 1.00 0.00 H new ATOM 0 HZ PHE A 26 -55.863 23.734 4.450 1.00 0.00 H new ATOM 419 N LYS A 27 -55.454 21.590 12.177 1.00 0.00 N ATOM 420 CA LYS A 27 -55.414 20.943 13.534 1.00 0.00 C ATOM 421 C LYS A 27 -56.683 20.090 13.734 1.00 0.00 C ATOM 422 O LYS A 27 -57.760 20.444 13.257 1.00 0.00 O ATOM 423 CB LYS A 27 -55.328 22.024 14.628 1.00 0.00 C ATOM 424 CG LYS A 27 -56.586 22.909 14.614 1.00 0.00 C ATOM 425 CD LYS A 27 -56.334 24.173 13.780 1.00 0.00 C ATOM 426 CE LYS A 27 -55.286 25.052 14.465 1.00 0.00 C ATOM 427 NZ LYS A 27 -54.835 26.112 13.515 1.00 0.00 N ATOM 0 H LYS A 27 -56.272 21.351 11.617 1.00 0.00 H new ATOM 0 HA LYS A 27 -54.535 20.302 13.603 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -55.219 21.553 15.605 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -54.442 22.639 14.470 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -57.427 22.352 14.200 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -56.857 23.185 15.633 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -55.994 23.898 12.782 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -57.263 24.729 13.658 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -55.706 25.506 15.362 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -54.437 24.446 14.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -53.811 26.260 13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -55.044 25.816 12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -55.336 27.000 13.722 1.00 0.00 H new ATOM 441 N VAL A 28 -56.587 18.977 14.418 1.00 0.00 N ATOM 442 CA VAL A 28 -57.804 18.116 14.630 1.00 0.00 C ATOM 443 C VAL A 28 -58.551 18.531 15.909 1.00 0.00 C ATOM 444 O VAL A 28 -59.606 17.994 16.243 1.00 0.00 O ATOM 445 CB VAL A 28 -57.370 16.650 14.718 1.00 0.00 C ATOM 446 CG1 VAL A 28 -58.589 15.742 14.891 1.00 0.00 C ATOM 447 CG2 VAL A 28 -56.637 16.262 13.435 1.00 0.00 C ATOM 0 H VAL A 28 -55.727 18.624 14.838 1.00 0.00 H new ATOM 0 HA VAL A 28 -58.485 18.246 13.789 1.00 0.00 H new ATOM 0 HB VAL A 28 -56.711 16.530 15.578 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -58.263 14.704 14.952 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -59.116 16.011 15.806 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -59.257 15.863 14.038 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -56.327 15.219 13.495 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -57.302 16.395 12.582 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -55.758 16.895 13.312 1.00 0.00 H new ATOM 457 N LEU A 29 -58.019 19.483 16.623 1.00 0.00 N ATOM 458 CA LEU A 29 -58.656 19.992 17.895 1.00 0.00 C ATOM 459 C LEU A 29 -58.482 18.974 19.024 1.00 0.00 C ATOM 460 O LEU A 29 -58.266 19.335 20.182 1.00 0.00 O ATOM 461 CB LEU A 29 -60.158 20.258 17.685 1.00 0.00 C ATOM 462 CG LEU A 29 -60.412 20.790 16.273 1.00 0.00 C ATOM 463 CD1 LEU A 29 -61.904 21.047 16.082 1.00 0.00 C ATOM 464 CD2 LEU A 29 -59.653 22.100 16.069 1.00 0.00 C ATOM 0 H LEU A 29 -57.145 19.949 16.380 1.00 0.00 H new ATOM 0 HA LEU A 29 -58.161 20.925 18.165 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -60.722 19.339 17.841 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -60.513 20.979 18.422 1.00 0.00 H new ATOM 0 HG LEU A 29 -60.069 20.051 15.549 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -62.082 21.426 15.076 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -62.454 20.117 16.222 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -62.243 21.782 16.812 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -59.837 22.474 15.062 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -59.994 22.835 16.798 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -58.585 21.926 16.202 1.00 0.00 H new ATOM 476 N ARG A 30 -58.578 17.718 18.711 1.00 0.00 N ATOM 477 CA ARG A 30 -58.424 16.662 19.758 1.00 0.00 C ATOM 478 C ARG A 30 -58.065 15.318 19.109 1.00 0.00 C ATOM 479 O ARG A 30 -58.046 15.183 17.887 1.00 0.00 O ATOM 480 CB ARG A 30 -59.738 16.522 20.539 1.00 0.00 C ATOM 481 CG ARG A 30 -59.463 16.726 22.033 1.00 0.00 C ATOM 482 CD ARG A 30 -60.733 16.435 22.836 1.00 0.00 C ATOM 483 NE ARG A 30 -60.970 14.958 22.867 1.00 0.00 N ATOM 484 CZ ARG A 30 -61.901 14.460 23.602 1.00 0.00 C ATOM 485 NH1 ARG A 30 -61.651 14.135 24.824 1.00 0.00 N ATOM 486 NH2 ARG A 30 -63.077 14.282 23.108 1.00 0.00 N ATOM 0 H ARG A 30 -58.758 17.368 17.770 1.00 0.00 H new ATOM 0 HA ARG A 30 -57.622 16.950 20.438 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -60.463 17.256 20.187 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -60.173 15.537 20.369 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -58.657 16.068 22.357 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -59.132 17.748 22.215 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -60.632 16.820 23.851 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -61.586 16.943 22.386 1.00 0.00 H new ATOM 0 HE ARG A 30 -60.388 14.341 22.300 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -60.716 14.273 25.207 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -62.388 13.740 25.408 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -63.267 14.536 22.138 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -63.819 13.887 23.686 1.00 0.00 H new ATOM 631 N PHE A 40 -60.667 12.410 12.035 1.00 0.00 N ATOM 632 CA PHE A 40 -61.636 13.114 12.955 1.00 0.00 C ATOM 633 C PHE A 40 -61.794 14.607 12.601 1.00 0.00 C ATOM 634 O PHE A 40 -61.327 15.081 11.567 1.00 0.00 O ATOM 635 CB PHE A 40 -61.199 12.958 14.426 1.00 0.00 C ATOM 636 CG PHE A 40 -61.044 11.489 14.786 1.00 0.00 C ATOM 637 CD1 PHE A 40 -61.504 10.486 13.918 1.00 0.00 C ATOM 638 CD2 PHE A 40 -60.434 11.133 15.995 1.00 0.00 C ATOM 639 CE1 PHE A 40 -61.352 9.137 14.257 1.00 0.00 C ATOM 640 CE2 PHE A 40 -60.284 9.782 16.335 1.00 0.00 C ATOM 641 CZ PHE A 40 -60.743 8.785 15.466 1.00 0.00 C ATOM 0 HA PHE A 40 -62.608 12.640 12.819 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -60.255 13.479 14.588 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -61.936 13.423 15.081 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -61.977 10.757 12.985 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -60.079 11.901 16.666 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -61.705 8.368 13.586 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -59.814 9.510 17.268 1.00 0.00 H new ATOM 0 HZ PHE A 40 -60.627 7.744 15.729 1.00 0.00 H new ATOM 651 N ILE A 41 -62.496 15.337 13.441 1.00 0.00 N ATOM 652 CA ILE A 41 -62.760 16.802 13.187 1.00 0.00 C ATOM 653 C ILE A 41 -61.479 17.531 12.773 1.00 0.00 C ATOM 654 O ILE A 41 -60.492 17.543 13.496 1.00 0.00 O ATOM 655 CB ILE A 41 -63.319 17.516 14.443 1.00 0.00 C ATOM 656 CG1 ILE A 41 -63.535 16.554 15.619 1.00 0.00 C ATOM 657 CG2 ILE A 41 -64.657 18.166 14.096 1.00 0.00 C ATOM 658 CD1 ILE A 41 -62.184 16.186 16.244 1.00 0.00 C ATOM 0 H ILE A 41 -62.904 14.978 14.304 1.00 0.00 H new ATOM 0 HA ILE A 41 -63.497 16.839 12.385 1.00 0.00 H new ATOM 0 HB ILE A 41 -62.583 18.260 14.748 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -64.178 17.018 16.367 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -64.044 15.654 15.275 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -65.056 18.670 14.976 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -64.512 18.892 13.296 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -65.359 17.400 13.768 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -62.343 15.503 17.078 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -61.556 15.704 15.495 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -61.691 17.089 16.604 1.00 0.00 H new ATOM 670 N THR A 42 -61.488 18.171 11.636 1.00 0.00 N ATOM 671 CA THR A 42 -60.277 18.928 11.199 1.00 0.00 C ATOM 672 C THR A 42 -60.614 20.421 11.140 1.00 0.00 C ATOM 673 O THR A 42 -61.617 20.825 10.559 1.00 0.00 O ATOM 674 CB THR A 42 -59.820 18.467 9.808 1.00 0.00 C ATOM 675 OG1 THR A 42 -60.240 17.132 9.557 1.00 0.00 O ATOM 676 CG2 THR A 42 -58.300 18.532 9.739 1.00 0.00 C ATOM 0 H THR A 42 -62.278 18.204 10.991 1.00 0.00 H new ATOM 0 HA THR A 42 -59.474 18.745 11.913 1.00 0.00 H new ATOM 0 HB THR A 42 -60.264 19.121 9.057 1.00 0.00 H new ATOM 0 HG1 THR A 42 -59.478 16.603 9.241 1.00 0.00 H new ATOM 0 HG21 THR A 42 -57.966 18.206 8.754 1.00 0.00 H new ATOM 0 HG22 THR A 42 -57.971 19.557 9.913 1.00 0.00 H new ATOM 0 HG23 THR A 42 -57.873 17.880 10.501 1.00 0.00 H new ATOM 684 N ALA A 43 -59.799 21.250 11.728 1.00 0.00 N ATOM 685 CA ALA A 43 -60.071 22.720 11.703 1.00 0.00 C ATOM 686 C ALA A 43 -58.887 23.456 11.058 1.00 0.00 C ATOM 687 O ALA A 43 -57.723 23.135 11.304 1.00 0.00 O ATOM 688 CB ALA A 43 -60.270 23.219 13.136 1.00 0.00 C ATOM 0 H ALA A 43 -58.953 20.976 12.227 1.00 0.00 H new ATOM 0 HA ALA A 43 -60.971 22.915 11.120 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -60.469 24.291 13.124 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -61.114 22.699 13.589 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -59.369 23.024 13.718 1.00 0.00 H new ATOM 694 N CYS A 44 -59.159 24.440 10.244 1.00 0.00 N ATOM 695 CA CYS A 44 -58.056 25.199 9.590 1.00 0.00 C ATOM 696 C CYS A 44 -58.168 26.677 9.965 1.00 0.00 C ATOM 697 O CYS A 44 -59.259 27.195 10.177 1.00 0.00 O ATOM 698 CB CYS A 44 -58.178 25.053 8.072 1.00 0.00 C ATOM 699 SG CYS A 44 -56.819 25.936 7.262 1.00 0.00 S ATOM 0 H CYS A 44 -60.100 24.751 10.004 1.00 0.00 H new ATOM 0 HA CYS A 44 -57.094 24.809 9.922 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -58.155 23.999 7.795 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -59.135 25.451 7.735 1.00 0.00 H new ATOM 0 HG CYS A 44 -56.257 25.158 6.386 1.00 0.00 H new ATOM 705 N ILE A 45 -57.065 27.364 10.039 1.00 0.00 N ATOM 706 CA ILE A 45 -57.104 28.818 10.380 1.00 0.00 C ATOM 707 C ILE A 45 -56.429 29.604 9.248 1.00 0.00 C ATOM 708 O ILE A 45 -55.296 29.311 8.866 1.00 0.00 O ATOM 709 CB ILE A 45 -56.379 29.062 11.716 1.00 0.00 C ATOM 710 CG1 ILE A 45 -56.517 30.530 12.120 1.00 0.00 C ATOM 711 CG2 ILE A 45 -54.893 28.727 11.585 1.00 0.00 C ATOM 712 CD1 ILE A 45 -56.343 30.656 13.635 1.00 0.00 C ATOM 0 H ILE A 45 -56.133 26.983 9.878 1.00 0.00 H new ATOM 0 HA ILE A 45 -58.136 29.151 10.488 1.00 0.00 H new ATOM 0 HB ILE A 45 -56.831 28.422 12.474 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -55.769 31.133 11.605 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -57.494 30.911 11.822 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -54.395 28.905 12.538 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -54.779 27.679 11.306 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -54.444 29.358 10.818 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -56.441 31.702 13.927 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -57.108 30.065 14.139 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -55.356 30.291 13.920 1.00 0.00 H new ATOM 724 N VAL A 46 -57.109 30.572 8.690 1.00 0.00 N ATOM 725 CA VAL A 46 -56.514 31.366 7.570 1.00 0.00 C ATOM 726 C VAL A 46 -56.756 32.865 7.811 1.00 0.00 C ATOM 727 O VAL A 46 -57.808 33.412 7.468 1.00 0.00 O ATOM 728 CB VAL A 46 -57.155 30.935 6.242 1.00 0.00 C ATOM 729 CG1 VAL A 46 -56.630 31.805 5.098 1.00 0.00 C ATOM 730 CG2 VAL A 46 -56.799 29.478 5.947 1.00 0.00 C ATOM 0 H VAL A 46 -58.053 30.848 8.961 1.00 0.00 H new ATOM 0 HA VAL A 46 -55.440 31.185 7.525 1.00 0.00 H new ATOM 0 HB VAL A 46 -58.236 31.048 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -57.091 31.491 4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -56.877 32.849 5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -55.548 31.696 5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -57.255 29.176 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -55.716 29.375 5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -57.171 28.843 6.751 1.00 0.00 H new ATOM 740 N GLY A 47 -55.800 33.541 8.396 1.00 0.00 N ATOM 741 CA GLY A 47 -55.957 35.010 8.661 1.00 0.00 C ATOM 742 C GLY A 47 -57.040 35.262 9.716 1.00 0.00 C ATOM 743 O GLY A 47 -56.749 35.432 10.895 1.00 0.00 O ATOM 0 H GLY A 47 -54.914 33.141 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -55.009 35.426 9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -56.218 35.525 7.736 1.00 0.00 H new ATOM 747 N SER A 48 -58.281 35.311 9.309 1.00 0.00 N ATOM 748 CA SER A 48 -59.391 35.574 10.286 1.00 0.00 C ATOM 749 C SER A 48 -60.434 34.445 10.262 1.00 0.00 C ATOM 750 O SER A 48 -61.221 34.299 11.194 1.00 0.00 O ATOM 751 CB SER A 48 -60.079 36.894 9.930 1.00 0.00 C ATOM 752 OG SER A 48 -59.106 37.823 9.461 1.00 0.00 O ATOM 0 H SER A 48 -58.579 35.181 8.342 1.00 0.00 H new ATOM 0 HA SER A 48 -58.959 35.626 11.285 1.00 0.00 H new ATOM 0 HB2 SER A 48 -60.837 36.727 9.165 1.00 0.00 H new ATOM 0 HB3 SER A 48 -60.591 37.297 10.804 1.00 0.00 H new ATOM 0 HG SER A 48 -59.545 38.668 9.231 1.00 0.00 H new ATOM 758 N ILE A 49 -60.470 33.649 9.224 1.00 0.00 N ATOM 759 CA ILE A 49 -61.471 32.544 9.160 1.00 0.00 C ATOM 760 C ILE A 49 -60.856 31.256 9.723 1.00 0.00 C ATOM 761 O ILE A 49 -59.742 30.870 9.361 1.00 0.00 O ATOM 762 CB ILE A 49 -61.896 32.321 7.701 1.00 0.00 C ATOM 763 CG1 ILE A 49 -60.663 32.243 6.793 1.00 0.00 C ATOM 764 CG2 ILE A 49 -62.784 33.478 7.237 1.00 0.00 C ATOM 765 CD1 ILE A 49 -60.974 31.346 5.595 1.00 0.00 C ATOM 0 H ILE A 49 -59.849 33.717 8.418 1.00 0.00 H new ATOM 0 HA ILE A 49 -62.345 32.812 9.754 1.00 0.00 H new ATOM 0 HB ILE A 49 -62.448 31.383 7.641 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -60.384 33.240 6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -59.813 31.846 7.348 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -63.083 33.315 6.201 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -63.672 33.530 7.867 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -62.231 34.414 7.312 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -60.099 31.288 4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -61.232 30.347 5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -61.812 31.762 5.037 1.00 0.00 H new ATOM 777 N VAL A 50 -61.550 30.578 10.599 1.00 0.00 N ATOM 778 CA VAL A 50 -60.986 29.315 11.168 1.00 0.00 C ATOM 779 C VAL A 50 -62.023 28.184 11.116 1.00 0.00 C ATOM 780 O VAL A 50 -63.129 28.356 10.605 1.00 0.00 O ATOM 781 CB VAL A 50 -60.536 29.530 12.613 1.00 0.00 C ATOM 782 CG1 VAL A 50 -59.596 28.389 12.997 1.00 0.00 C ATOM 783 CG2 VAL A 50 -59.794 30.862 12.736 1.00 0.00 C ATOM 0 H VAL A 50 -62.474 30.839 10.943 1.00 0.00 H new ATOM 0 HA VAL A 50 -60.124 29.032 10.564 1.00 0.00 H new ATOM 0 HB VAL A 50 -61.403 29.548 13.273 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -59.262 28.523 14.026 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -60.122 27.438 12.907 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -58.732 28.390 12.332 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -59.477 31.008 13.769 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -58.919 30.853 12.085 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -60.456 31.676 12.442 1.00 0.00 H new ATOM 793 N THR A 51 -61.656 27.017 11.607 1.00 0.00 N ATOM 794 CA THR A 51 -62.555 25.826 11.576 1.00 0.00 C ATOM 795 C THR A 51 -62.418 25.214 10.193 1.00 0.00 C ATOM 796 O THR A 51 -61.932 25.866 9.272 1.00 0.00 O ATOM 797 CB THR A 51 -64.016 26.218 11.836 1.00 0.00 C ATOM 798 OG1 THR A 51 -64.074 27.093 12.949 1.00 0.00 O ATOM 799 CG2 THR A 51 -64.839 24.970 12.146 1.00 0.00 C ATOM 0 H THR A 51 -60.747 26.844 12.037 1.00 0.00 H new ATOM 0 HA THR A 51 -62.274 25.120 12.358 1.00 0.00 H new ATOM 0 HB THR A 51 -64.418 26.710 10.950 1.00 0.00 H new ATOM 0 HG1 THR A 51 -65.005 27.347 13.117 1.00 0.00 H new ATOM 0 HG21 THR A 51 -65.875 25.254 12.330 1.00 0.00 H new ATOM 0 HG22 THR A 51 -64.795 24.285 11.299 1.00 0.00 H new ATOM 0 HG23 THR A 51 -64.435 24.478 13.031 1.00 0.00 H new ATOM 807 N GLU A 52 -62.803 23.992 10.001 1.00 0.00 N ATOM 808 CA GLU A 52 -62.655 23.431 8.638 1.00 0.00 C ATOM 809 C GLU A 52 -63.799 22.470 8.315 1.00 0.00 C ATOM 810 O GLU A 52 -64.736 22.790 7.584 1.00 0.00 O ATOM 811 CB GLU A 52 -61.302 22.720 8.491 1.00 0.00 C ATOM 812 CG GLU A 52 -60.716 23.050 7.110 1.00 0.00 C ATOM 813 CD GLU A 52 -61.780 22.834 6.034 1.00 0.00 C ATOM 814 OE1 GLU A 52 -62.230 21.711 5.889 1.00 0.00 O ATOM 815 OE2 GLU A 52 -62.140 23.798 5.384 1.00 0.00 O ATOM 0 H GLU A 52 -63.203 23.371 10.705 1.00 0.00 H new ATOM 0 HA GLU A 52 -62.693 24.257 7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -60.619 23.042 9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -61.428 21.643 8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -60.368 24.083 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -59.850 22.418 6.911 1.00 0.00 H new ATOM 822 N GLY A 53 -63.722 21.301 8.852 1.00 0.00 N ATOM 823 CA GLY A 53 -64.774 20.262 8.613 1.00 0.00 C ATOM 824 C GLY A 53 -64.315 18.921 9.198 1.00 0.00 C ATOM 825 O GLY A 53 -63.133 18.715 9.475 1.00 0.00 O ATOM 0 H GLY A 53 -62.962 21.002 9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -65.713 20.569 9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -64.961 20.159 7.544 1.00 0.00 H new ATOM 829 N GLU A 54 -65.224 18.016 9.406 1.00 0.00 N ATOM 830 CA GLU A 54 -64.858 16.692 9.997 1.00 0.00 C ATOM 831 C GLU A 54 -64.038 15.852 9.003 1.00 0.00 C ATOM 832 O GLU A 54 -64.563 15.335 8.016 1.00 0.00 O ATOM 833 CB GLU A 54 -66.145 15.938 10.367 1.00 0.00 C ATOM 834 CG GLU A 54 -66.801 16.584 11.602 1.00 0.00 C ATOM 835 CD GLU A 54 -67.181 18.041 11.309 1.00 0.00 C ATOM 836 OE1 GLU A 54 -67.891 18.270 10.343 1.00 0.00 O ATOM 837 OE2 GLU A 54 -66.743 18.901 12.049 1.00 0.00 O ATOM 0 H GLU A 54 -66.215 18.132 9.192 1.00 0.00 H new ATOM 0 HA GLU A 54 -64.249 16.860 10.885 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -66.839 15.954 9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -65.917 14.892 10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -67.690 16.020 11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -66.115 16.544 12.448 1.00 0.00 H new ATOM 844 N GLY A 55 -62.760 15.693 9.245 1.00 0.00 N ATOM 845 CA GLY A 55 -61.917 14.867 8.329 1.00 0.00 C ATOM 846 C GLY A 55 -61.785 13.457 8.908 1.00 0.00 C ATOM 847 O GLY A 55 -60.755 13.093 9.467 1.00 0.00 O ATOM 0 H GLY A 55 -62.265 16.100 10.038 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -62.368 14.826 7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -60.932 15.320 8.213 1.00 0.00 H new ATOM 943 N LYS A 62 -56.196 16.701 7.546 1.00 0.00 N ATOM 944 CA LYS A 62 -54.837 17.155 7.072 1.00 0.00 C ATOM 945 C LYS A 62 -54.786 17.036 5.538 1.00 0.00 C ATOM 946 O LYS A 62 -53.739 17.161 4.908 1.00 0.00 O ATOM 947 CB LYS A 62 -53.723 16.313 7.713 1.00 0.00 C ATOM 948 CG LYS A 62 -52.380 17.019 7.509 1.00 0.00 C ATOM 949 CD LYS A 62 -51.283 16.261 8.257 1.00 0.00 C ATOM 950 CE LYS A 62 -49.915 16.805 7.842 1.00 0.00 C ATOM 951 NZ LYS A 62 -48.857 15.821 8.221 1.00 0.00 N ATOM 0 HA LYS A 62 -54.678 18.192 7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -53.919 16.178 8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -53.697 15.320 7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -52.142 17.069 6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -52.439 18.045 7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -51.419 16.371 9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -51.346 15.196 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -49.893 16.984 6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -49.729 17.762 8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -47.925 16.188 7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -48.875 15.672 9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -49.034 14.918 7.737 1.00 0.00 H new ATOM 965 N LYS A 63 -55.928 16.814 4.946 1.00 0.00 N ATOM 966 CA LYS A 63 -56.057 16.695 3.470 1.00 0.00 C ATOM 967 C LYS A 63 -57.474 17.176 3.136 1.00 0.00 C ATOM 968 O LYS A 63 -57.675 18.249 2.576 1.00 0.00 O ATOM 969 CB LYS A 63 -55.868 15.220 3.063 1.00 0.00 C ATOM 970 CG LYS A 63 -55.893 15.089 1.537 1.00 0.00 C ATOM 971 CD LYS A 63 -56.785 13.906 1.135 1.00 0.00 C ATOM 972 CE LYS A 63 -57.812 14.377 0.106 1.00 0.00 C ATOM 973 NZ LYS A 63 -58.414 13.203 -0.585 1.00 0.00 N ATOM 0 H LYS A 63 -56.809 16.707 5.448 1.00 0.00 H new ATOM 0 HA LYS A 63 -55.310 17.283 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -54.922 14.845 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -56.657 14.609 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -56.269 16.009 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -54.882 14.940 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -56.178 13.102 0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -57.290 13.502 2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -58.591 14.959 0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -57.335 15.033 -0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -59.111 13.531 -1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -57.667 12.664 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -58.884 12.593 0.113 1.00 0.00 H new ATOM 987 N ARG A 64 -58.455 16.414 3.551 1.00 0.00 N ATOM 988 CA ARG A 64 -59.887 16.796 3.348 1.00 0.00 C ATOM 989 C ARG A 64 -60.114 18.249 3.803 1.00 0.00 C ATOM 990 O ARG A 64 -60.763 19.040 3.121 1.00 0.00 O ATOM 991 CB ARG A 64 -60.744 15.856 4.208 1.00 0.00 C ATOM 992 CG ARG A 64 -62.151 16.435 4.396 1.00 0.00 C ATOM 993 CD ARG A 64 -62.265 17.055 5.790 1.00 0.00 C ATOM 994 NE ARG A 64 -63.690 17.418 6.051 1.00 0.00 N ATOM 995 CZ ARG A 64 -64.228 18.405 5.416 1.00 0.00 C ATOM 996 NH1 ARG A 64 -63.809 19.605 5.619 1.00 0.00 N ATOM 997 NH2 ARG A 64 -65.175 18.183 4.570 1.00 0.00 N ATOM 0 H ARG A 64 -58.321 15.525 4.032 1.00 0.00 H new ATOM 0 HA ARG A 64 -60.154 16.715 2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -60.808 14.877 3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -60.271 15.710 5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -62.351 17.188 3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -62.898 15.651 4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -61.913 16.351 6.544 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -61.633 17.940 5.860 1.00 0.00 H new ATOM 0 HE ARG A 64 -64.237 16.887 6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -63.052 19.776 6.281 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -64.234 20.385 5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -65.497 17.230 4.404 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -65.602 18.961 4.067 1.00 0.00 H new ATOM 1011 N ALA A 65 -59.596 18.599 4.955 1.00 0.00 N ATOM 1012 CA ALA A 65 -59.774 19.983 5.478 1.00 0.00 C ATOM 1013 C ALA A 65 -59.207 21.002 4.468 1.00 0.00 C ATOM 1014 O ALA A 65 -59.861 21.973 4.092 1.00 0.00 O ATOM 1015 CB ALA A 65 -59.036 20.111 6.815 1.00 0.00 C ATOM 0 H ALA A 65 -59.054 17.979 5.557 1.00 0.00 H new ATOM 0 HA ALA A 65 -60.835 20.185 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -59.161 21.121 7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -59.446 19.394 7.527 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -57.975 19.909 6.666 1.00 0.00 H new ATOM 1021 N ALA A 66 -57.995 20.788 4.021 1.00 0.00 N ATOM 1022 CA ALA A 66 -57.365 21.725 3.039 1.00 0.00 C ATOM 1023 C ALA A 66 -58.209 21.813 1.754 1.00 0.00 C ATOM 1024 O ALA A 66 -58.466 22.906 1.250 1.00 0.00 O ATOM 1025 CB ALA A 66 -55.959 21.225 2.705 1.00 0.00 C ATOM 0 H ALA A 66 -57.410 19.999 4.296 1.00 0.00 H new ATOM 0 HA ALA A 66 -57.310 22.720 3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -55.492 21.902 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -55.360 21.189 3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -56.021 20.227 2.272 1.00 0.00 H new ATOM 1031 N GLU A 67 -58.644 20.699 1.216 1.00 0.00 N ATOM 1032 CA GLU A 67 -59.475 20.738 -0.035 1.00 0.00 C ATOM 1033 C GLU A 67 -60.695 21.643 0.184 1.00 0.00 C ATOM 1034 O GLU A 67 -61.010 22.506 -0.640 1.00 0.00 O ATOM 1035 CB GLU A 67 -59.948 19.321 -0.386 1.00 0.00 C ATOM 1036 CG GLU A 67 -58.944 18.657 -1.342 1.00 0.00 C ATOM 1037 CD GLU A 67 -58.668 17.224 -0.888 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -58.000 17.066 0.115 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -59.119 16.303 -1.555 1.00 0.00 O ATOM 0 H GLU A 67 -58.462 19.766 1.586 1.00 0.00 H new ATOM 0 HA GLU A 67 -58.872 21.132 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -60.047 18.726 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -60.933 19.361 -0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -59.340 18.657 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -58.015 19.227 -1.362 1.00 0.00 H new ATOM 1046 N LYS A 68 -61.377 21.469 1.286 1.00 0.00 N ATOM 1047 CA LYS A 68 -62.574 22.316 1.586 1.00 0.00 C ATOM 1048 C LYS A 68 -62.145 23.786 1.712 1.00 0.00 C ATOM 1049 O LYS A 68 -62.738 24.674 1.104 1.00 0.00 O ATOM 1050 CB LYS A 68 -63.209 21.844 2.897 1.00 0.00 C ATOM 1051 CG LYS A 68 -64.646 22.367 3.004 1.00 0.00 C ATOM 1052 CD LYS A 68 -64.991 22.599 4.483 1.00 0.00 C ATOM 1053 CE LYS A 68 -65.290 24.078 4.738 1.00 0.00 C ATOM 1054 NZ LYS A 68 -64.125 24.904 4.317 1.00 0.00 N ATOM 0 H LYS A 68 -61.156 20.772 1.997 1.00 0.00 H new ATOM 0 HA LYS A 68 -63.301 22.226 0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -63.206 20.755 2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -62.621 22.198 3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -64.750 23.296 2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -65.340 21.651 2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -65.854 21.994 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -64.161 22.276 5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -66.180 24.380 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -65.500 24.240 5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -64.310 25.903 4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -63.274 24.589 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -63.976 24.798 3.293 1.00 0.00 H new ATOM 1068 N MET A 69 -61.122 24.060 2.480 1.00 0.00 N ATOM 1069 CA MET A 69 -60.650 25.473 2.631 1.00 0.00 C ATOM 1070 C MET A 69 -60.233 26.024 1.259 1.00 0.00 C ATOM 1071 O MET A 69 -60.519 27.172 0.918 1.00 0.00 O ATOM 1072 CB MET A 69 -59.453 25.508 3.590 1.00 0.00 C ATOM 1073 CG MET A 69 -59.896 26.064 4.947 1.00 0.00 C ATOM 1074 SD MET A 69 -59.581 27.846 4.997 1.00 0.00 S ATOM 1075 CE MET A 69 -60.021 28.108 6.734 1.00 0.00 C ATOM 0 H MET A 69 -60.592 23.368 3.010 1.00 0.00 H new ATOM 0 HA MET A 69 -61.455 26.087 3.034 1.00 0.00 H new ATOM 0 HB2 MET A 69 -59.044 24.505 3.713 1.00 0.00 H new ATOM 0 HB3 MET A 69 -58.659 26.128 3.174 1.00 0.00 H new ATOM 0 HG2 MET A 69 -60.956 25.866 5.105 1.00 0.00 H new ATOM 0 HG3 MET A 69 -59.355 25.565 5.751 1.00 0.00 H new ATOM 0 HE1 MET A 69 -59.897 29.161 6.986 1.00 0.00 H new ATOM 0 HE2 MET A 69 -61.059 27.816 6.894 1.00 0.00 H new ATOM 0 HE3 MET A 69 -59.372 27.505 7.369 1.00 0.00 H new ATOM 1085 N LEU A 70 -59.568 25.226 0.463 1.00 0.00 N ATOM 1086 CA LEU A 70 -59.135 25.695 -0.888 1.00 0.00 C ATOM 1087 C LEU A 70 -60.364 25.962 -1.766 1.00 0.00 C ATOM 1088 O LEU A 70 -60.530 27.060 -2.297 1.00 0.00 O ATOM 1089 CB LEU A 70 -58.255 24.626 -1.551 1.00 0.00 C ATOM 1090 CG LEU A 70 -56.814 24.735 -1.044 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -55.891 23.946 -1.969 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -56.366 26.198 -1.029 1.00 0.00 C ATOM 0 H LEU A 70 -59.306 24.267 0.691 1.00 0.00 H new ATOM 0 HA LEU A 70 -58.564 26.617 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -58.650 23.634 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -58.277 24.748 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 70 -56.767 24.333 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -54.865 24.022 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -56.195 22.899 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -55.953 24.352 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -55.340 26.261 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -56.420 26.605 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -57.019 26.772 -0.371 1.00 0.00 H new ATOM 1104 N VAL A 71 -61.228 24.988 -1.929 1.00 0.00 N ATOM 1105 CA VAL A 71 -62.445 25.204 -2.775 1.00 0.00 C ATOM 1106 C VAL A 71 -63.261 26.383 -2.216 1.00 0.00 C ATOM 1107 O VAL A 71 -63.856 27.153 -2.966 1.00 0.00 O ATOM 1108 CB VAL A 71 -63.296 23.922 -2.813 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -63.982 23.691 -1.466 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -64.364 24.056 -3.898 1.00 0.00 C ATOM 0 H VAL A 71 -61.144 24.059 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 71 -62.140 25.442 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 71 -62.643 23.076 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -64.579 22.780 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -63.227 23.591 -0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -64.630 24.538 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -64.968 23.149 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -65.003 24.911 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -63.884 24.203 -4.865 1.00 0.00 H new ATOM 1120 N GLU A 72 -63.283 26.552 -0.918 1.00 0.00 N ATOM 1121 CA GLU A 72 -64.040 27.694 -0.321 1.00 0.00 C ATOM 1122 C GLU A 72 -63.339 29.014 -0.672 1.00 0.00 C ATOM 1123 O GLU A 72 -63.939 29.919 -1.244 1.00 0.00 O ATOM 1124 CB GLU A 72 -64.089 27.527 1.201 1.00 0.00 C ATOM 1125 CG GLU A 72 -65.522 27.751 1.699 1.00 0.00 C ATOM 1126 CD GLU A 72 -65.848 26.737 2.791 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -65.571 27.026 3.944 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -66.348 25.679 2.456 1.00 0.00 O ATOM 0 H GLU A 72 -62.809 25.948 -0.246 1.00 0.00 H new ATOM 0 HA GLU A 72 -65.055 27.709 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -63.749 26.529 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -63.413 28.238 1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -65.629 28.764 2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -66.225 27.649 0.872 1.00 0.00 H new ATOM 1135 N LEU A 73 -62.075 29.137 -0.349 1.00 0.00 N ATOM 1136 CA LEU A 73 -61.330 30.397 -0.666 1.00 0.00 C ATOM 1137 C LEU A 73 -61.295 30.636 -2.186 1.00 0.00 C ATOM 1138 O LEU A 73 -61.267 31.775 -2.645 1.00 0.00 O ATOM 1139 CB LEU A 73 -59.897 30.290 -0.121 1.00 0.00 C ATOM 1140 CG LEU A 73 -59.933 30.260 1.410 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -58.510 30.164 1.957 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -60.582 31.539 1.932 1.00 0.00 C ATOM 0 H LEU A 73 -61.525 28.418 0.121 1.00 0.00 H new ATOM 0 HA LEU A 73 -61.840 31.238 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -59.418 29.388 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -59.302 31.136 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 73 -60.510 29.395 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -58.540 30.143 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -58.040 29.252 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -57.934 31.028 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -60.607 31.516 3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -60.004 32.402 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -61.599 31.614 1.547 1.00 0.00 H new ATOM 1154 N GLN A 74 -61.298 29.592 -2.976 1.00 0.00 N ATOM 1155 CA GLN A 74 -61.268 29.777 -4.464 1.00 0.00 C ATOM 1156 C GLN A 74 -62.696 29.970 -5.015 1.00 0.00 C ATOM 1157 O GLN A 74 -62.880 30.341 -6.172 1.00 0.00 O ATOM 1158 CB GLN A 74 -60.624 28.549 -5.115 1.00 0.00 C ATOM 1159 CG GLN A 74 -59.106 28.752 -5.207 1.00 0.00 C ATOM 1160 CD GLN A 74 -58.410 27.394 -5.278 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -58.119 26.896 -6.356 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -58.130 26.761 -4.182 1.00 0.00 N ATOM 0 H GLN A 74 -61.320 28.623 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 74 -60.684 30.667 -4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -60.847 27.656 -4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -61.041 28.391 -6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -58.861 29.344 -6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -58.750 29.309 -4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -58.371 27.172 -3.280 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -57.669 25.852 -4.222 1.00 0.00 H new ATOM 1171 N LYS A 75 -63.706 29.724 -4.214 1.00 0.00 N ATOM 1172 CA LYS A 75 -65.118 29.892 -4.692 1.00 0.00 C ATOM 1173 C LYS A 75 -65.802 31.063 -3.957 1.00 0.00 C ATOM 1174 O LYS A 75 -66.771 31.626 -4.459 1.00 0.00 O ATOM 1175 CB LYS A 75 -65.895 28.599 -4.415 1.00 0.00 C ATOM 1176 CG LYS A 75 -67.349 28.744 -4.893 1.00 0.00 C ATOM 1177 CD LYS A 75 -68.308 28.421 -3.738 1.00 0.00 C ATOM 1178 CE LYS A 75 -68.724 29.715 -3.025 1.00 0.00 C ATOM 1179 NZ LYS A 75 -68.732 29.493 -1.547 1.00 0.00 N ATOM 0 H LYS A 75 -63.614 29.413 -3.247 1.00 0.00 H new ATOM 0 HA LYS A 75 -65.108 30.107 -5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -65.418 27.762 -4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -65.875 28.375 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -67.525 29.758 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -67.535 28.073 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -69.190 27.906 -4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -67.825 27.746 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -68.034 30.520 -3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -69.713 30.026 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -69.682 29.198 -1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -68.045 28.751 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -68.474 30.376 -1.062 1.00 0.00 H new ATOM 1193 N LEU A 76 -65.308 31.435 -2.795 1.00 0.00 N ATOM 1194 CA LEU A 76 -65.891 32.551 -2.018 1.00 0.00 C ATOM 1195 C LEU A 76 -67.398 32.307 -1.740 1.00 0.00 C ATOM 1196 O LEU A 76 -67.690 31.622 -0.765 1.00 0.00 O ATOM 1197 CB LEU A 76 -65.643 33.824 -2.809 1.00 0.00 C ATOM 1198 CG LEU A 76 -64.467 34.586 -2.193 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -64.025 35.704 -3.133 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -64.893 35.195 -0.861 1.00 0.00 C ATOM 1201 OXT LEU A 76 -68.235 32.783 -2.493 1.00 0.00 O ATOM 0 H LEU A 76 -64.503 30.991 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 76 -65.423 32.634 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -65.428 33.582 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -66.537 34.448 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 76 -63.640 33.894 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -63.188 36.243 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -63.717 35.277 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -64.854 36.392 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -64.054 35.737 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -65.724 35.882 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -65.206 34.402 -0.182 1.00 0.00 H new