USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 641 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 33 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 37 MET CE :methyl -163:sc= 0 (180deg=-0.656) USER MOD Single : A 20 SER OG : rot -51:sc= 0.284 USER MOD Single : A 25 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.7) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0222) USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= -0.0502 (180deg=-0.334) USER MOD Single : A 31 LYS NZ :NH3+ -114:sc= -0.235 (180deg=-1.05) USER MOD Single : A 38 THR OG1 : rot -49:sc= -1.32 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -119:sc= 0.0145 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -131:sc= -3.07 (180deg=-4.72!) USER MOD Single : A 84 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.2!) USER MOD Single : A 91 GLN : amide:sc= 0.0515 K(o=0.051,f=-1.9!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0415 X(o=-0.041,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 11.129 -4.036 18.272 1.00 11.11 N ATOM 165 CA ARG A 12 11.104 -4.136 19.726 1.00 12.24 C ATOM 166 C ARG A 12 10.732 -2.797 20.357 1.00 72.10 C ATOM 167 O ARG A 12 9.885 -2.734 21.247 1.00 32.13 O ATOM 168 CB ARG A 12 12.465 -4.598 20.251 1.00 74.14 C ATOM 169 CG ARG A 12 12.953 -5.892 19.620 1.00 33.00 C ATOM 170 CD ARG A 12 14.339 -6.267 20.120 1.00 33.44 C ATOM 171 NE ARG A 12 15.381 -5.440 19.518 1.00 33.31 N ATOM 172 CZ ARG A 12 15.794 -5.577 18.263 1.00 31.20 C ATOM 173 NH1 ARG A 12 15.256 -6.503 17.482 1.00 73.43 N ATOM 174 NH2 ARG A 12 16.747 -4.786 17.787 1.00 20.20 N ATOM 0 HA ARG A 12 10.347 -4.871 20.001 1.00 12.24 H new ATOM 0 HB2 ARG A 12 13.201 -3.815 20.069 1.00 74.14 H new ATOM 0 HB3 ARG A 12 12.402 -4.731 21.331 1.00 74.14 H new ATOM 0 HG2 ARG A 12 12.253 -6.696 19.848 1.00 33.00 H new ATOM 0 HG3 ARG A 12 12.973 -5.784 18.536 1.00 33.00 H new ATOM 0 HD2 ARG A 12 14.374 -6.161 21.204 1.00 33.44 H new ATOM 0 HD3 ARG A 12 14.534 -7.316 19.895 1.00 33.44 H new ATOM 0 HE ARG A 12 15.815 -4.718 20.092 1.00 33.31 H new ATOM 0 HH11 ARG A 12 14.523 -7.113 17.844 1.00 73.43 H new ATOM 0 HH12 ARG A 12 15.575 -6.606 16.519 1.00 73.43 H new ATOM 0 HH21 ARG A 12 17.163 -4.072 18.385 1.00 20.20 H new ATOM 0 HH22 ARG A 12 17.064 -4.892 16.823 1.00 20.20 H new ATOM 188 N GLU A 13 11.372 -1.730 19.889 1.00 53.01 N ATOM 189 CA GLU A 13 11.108 -0.393 20.409 1.00 64.34 C ATOM 190 C GLU A 13 9.687 0.051 20.073 1.00 24.32 C ATOM 191 O GLU A 13 9.139 0.948 20.712 1.00 20.14 O ATOM 192 CB GLU A 13 12.115 0.608 19.838 1.00 63.52 C ATOM 193 CG GLU A 13 13.563 0.186 20.022 1.00 5.32 C ATOM 194 CD GLU A 13 14.523 1.360 19.978 1.00 15.01 C ATOM 195 OE1 GLU A 13 14.089 2.465 19.591 1.00 12.52 O ATOM 196 OE2 GLU A 13 15.706 1.173 20.330 1.00 50.52 O ATOM 0 H GLU A 13 12.076 -1.765 19.152 1.00 53.01 H new ATOM 0 HA GLU A 13 11.213 -0.425 21.493 1.00 64.34 H new ATOM 0 HB2 GLU A 13 11.917 0.743 18.775 1.00 63.52 H new ATOM 0 HB3 GLU A 13 11.964 1.576 20.316 1.00 63.52 H new ATOM 0 HG2 GLU A 13 13.669 -0.330 20.977 1.00 5.32 H new ATOM 0 HG3 GLU A 13 13.831 -0.527 19.243 1.00 5.32 H new ATOM 203 N ALA A 14 9.098 -0.584 19.066 1.00 72.25 N ATOM 204 CA ALA A 14 7.741 -0.257 18.645 1.00 0.45 C ATOM 205 C ALA A 14 6.721 -0.707 19.685 1.00 14.13 C ATOM 206 O ALA A 14 5.707 -0.042 19.904 1.00 71.11 O ATOM 207 CB ALA A 14 7.438 -0.892 17.296 1.00 3.25 C ATOM 0 H ALA A 14 9.539 -1.328 18.526 1.00 72.25 H new ATOM 0 HA ALA A 14 7.669 0.826 18.548 1.00 0.45 H new ATOM 0 HB1 ALA A 14 6.421 -0.639 16.995 1.00 3.25 H new ATOM 0 HB2 ALA A 14 8.141 -0.518 16.552 1.00 3.25 H new ATOM 0 HB3 ALA A 14 7.534 -1.975 17.374 1.00 3.25 H new ATOM 213 N LEU A 15 6.994 -1.839 20.324 1.00 73.44 N ATOM 214 CA LEU A 15 6.098 -2.379 21.341 1.00 65.40 C ATOM 215 C LEU A 15 6.149 -1.538 22.612 1.00 31.35 C ATOM 216 O LEU A 15 5.128 -1.322 23.268 1.00 64.43 O ATOM 217 CB LEU A 15 6.471 -3.828 21.659 1.00 22.43 C ATOM 218 CG LEU A 15 5.406 -4.652 22.384 1.00 52.12 C ATOM 219 CD1 LEU A 15 5.332 -4.257 23.851 1.00 53.35 C ATOM 220 CD2 LEU A 15 4.051 -4.478 21.714 1.00 74.43 C ATOM 0 H LEU A 15 7.829 -2.401 20.156 1.00 73.44 H new ATOM 0 HA LEU A 15 5.082 -2.350 20.948 1.00 65.40 H new ATOM 0 HB2 LEU A 15 6.718 -4.332 20.725 1.00 22.43 H new ATOM 0 HB3 LEU A 15 7.375 -3.824 22.268 1.00 22.43 H new ATOM 0 HG LEU A 15 5.686 -5.704 22.326 1.00 52.12 H new ATOM 0 HD11 LEU A 15 4.569 -4.854 24.350 1.00 53.35 H new ATOM 0 HD12 LEU A 15 6.298 -4.433 24.324 1.00 53.35 H new ATOM 0 HD13 LEU A 15 5.076 -3.200 23.931 1.00 53.35 H new ATOM 0 HD21 LEU A 15 3.305 -5.071 22.243 1.00 74.43 H new ATOM 0 HD22 LEU A 15 3.764 -3.427 21.741 1.00 74.43 H new ATOM 0 HD23 LEU A 15 4.112 -4.811 20.678 1.00 74.43 H new ATOM 232 N LEU A 16 7.342 -1.064 22.955 1.00 74.20 N ATOM 233 CA LEU A 16 7.525 -0.244 24.147 1.00 3.03 C ATOM 234 C LEU A 16 6.862 1.119 23.978 1.00 43.31 C ATOM 235 O LEU A 16 6.208 1.620 24.892 1.00 34.23 O ATOM 236 CB LEU A 16 9.015 -0.066 24.443 1.00 4.12 C ATOM 237 CG LEU A 16 9.921 -1.237 24.060 1.00 74.15 C ATOM 238 CD1 LEU A 16 11.344 -0.990 24.534 1.00 11.45 C ATOM 239 CD2 LEU A 16 9.382 -2.538 24.636 1.00 25.35 C ATOM 0 H LEU A 16 8.197 -1.234 22.425 1.00 74.20 H new ATOM 0 HA LEU A 16 7.052 -0.755 24.986 1.00 3.03 H new ATOM 0 HB2 LEU A 16 9.365 0.824 23.920 1.00 4.12 H new ATOM 0 HB3 LEU A 16 9.133 0.124 25.510 1.00 4.12 H new ATOM 0 HG LEU A 16 9.933 -1.321 22.973 1.00 74.15 H new ATOM 0 HD11 LEU A 16 11.973 -1.834 24.252 1.00 11.45 H new ATOM 0 HD12 LEU A 16 11.729 -0.081 24.072 1.00 11.45 H new ATOM 0 HD13 LEU A 16 11.352 -0.878 25.618 1.00 11.45 H new ATOM 0 HD21 LEU A 16 10.039 -3.361 24.354 1.00 25.35 H new ATOM 0 HD22 LEU A 16 9.339 -2.465 25.723 1.00 25.35 H new ATOM 0 HD23 LEU A 16 8.381 -2.722 24.245 1.00 25.35 H new ATOM 251 N TRP A 17 7.035 1.713 22.803 1.00 60.04 N ATOM 252 CA TRP A 17 6.451 3.018 22.513 1.00 64.24 C ATOM 253 C TRP A 17 4.946 2.905 22.298 1.00 0.33 C ATOM 254 O TRP A 17 4.193 3.821 22.629 1.00 72.42 O ATOM 255 CB TRP A 17 7.111 3.631 21.276 1.00 34.11 C ATOM 256 CG TRP A 17 6.912 5.113 21.170 1.00 30.41 C ATOM 257 CD1 TRP A 17 7.332 6.061 22.058 1.00 12.51 C ATOM 258 CD2 TRP A 17 6.242 5.814 20.117 1.00 12.22 C ATOM 259 NE1 TRP A 17 6.963 7.311 21.621 1.00 71.33 N ATOM 260 CE2 TRP A 17 6.294 7.186 20.432 1.00 51.31 C ATOM 261 CE3 TRP A 17 5.605 5.417 18.938 1.00 11.44 C ATOM 262 CZ2 TRP A 17 5.732 8.160 19.610 1.00 31.14 C ATOM 263 CZ3 TRP A 17 5.047 6.385 18.124 1.00 23.14 C ATOM 264 CH2 TRP A 17 5.114 7.743 18.463 1.00 43.03 C ATOM 0 H TRP A 17 7.575 1.312 22.036 1.00 60.04 H new ATOM 0 HA TRP A 17 6.629 3.667 23.371 1.00 64.24 H new ATOM 0 HB2 TRP A 17 8.179 3.416 21.299 1.00 34.11 H new ATOM 0 HB3 TRP A 17 6.708 3.153 20.383 1.00 34.11 H new ATOM 0 HD1 TRP A 17 7.874 5.859 22.970 1.00 12.51 H new ATOM 0 HE1 TRP A 17 7.156 8.189 22.103 1.00 71.33 H new ATOM 0 HE3 TRP A 17 5.550 4.373 18.668 1.00 11.44 H new ATOM 0 HZ2 TRP A 17 5.782 9.207 19.869 1.00 31.14 H new ATOM 0 HZ3 TRP A 17 4.551 6.090 17.211 1.00 23.14 H new ATOM 0 HH2 TRP A 17 4.669 8.475 17.806 1.00 43.03 H new ATOM 275 N ALA A 18 4.514 1.777 21.744 1.00 43.55 N ATOM 276 CA ALA A 18 3.098 1.545 21.488 1.00 42.34 C ATOM 277 C ALA A 18 2.346 1.256 22.783 1.00 45.45 C ATOM 278 O ALA A 18 1.397 1.959 23.131 1.00 1.45 O ATOM 279 CB ALA A 18 2.921 0.398 20.505 1.00 72.53 C ATOM 0 H ALA A 18 5.125 1.009 21.464 1.00 43.55 H new ATOM 0 HA ALA A 18 2.680 2.452 21.051 1.00 42.34 H new ATOM 0 HB1 ALA A 18 1.859 0.236 20.323 1.00 72.53 H new ATOM 0 HB2 ALA A 18 3.417 0.644 19.566 1.00 72.53 H new ATOM 0 HB3 ALA A 18 3.361 -0.509 20.921 1.00 72.53 H new ATOM 285 N LEU A 19 2.776 0.218 23.491 1.00 32.01 N ATOM 286 CA LEU A 19 2.142 -0.165 24.748 1.00 4.34 C ATOM 287 C LEU A 19 2.061 1.024 25.701 1.00 75.03 C ATOM 288 O LEU A 19 1.188 1.079 26.568 1.00 63.35 O ATOM 289 CB LEU A 19 2.918 -1.307 25.406 1.00 24.20 C ATOM 290 CG LEU A 19 4.229 -0.921 26.091 1.00 5.25 C ATOM 291 CD1 LEU A 19 3.961 -0.364 27.481 1.00 24.11 C ATOM 292 CD2 LEU A 19 5.165 -2.118 26.166 1.00 24.41 C ATOM 0 H LEU A 19 3.560 -0.373 23.217 1.00 32.01 H new ATOM 0 HA LEU A 19 1.129 -0.501 24.528 1.00 4.34 H new ATOM 0 HB2 LEU A 19 2.271 -1.781 26.145 1.00 24.20 H new ATOM 0 HB3 LEU A 19 3.136 -2.057 24.646 1.00 24.20 H new ATOM 0 HG LEU A 19 4.712 -0.145 25.497 1.00 5.25 H new ATOM 0 HD11 LEU A 19 4.906 -0.095 27.953 1.00 24.11 H new ATOM 0 HD12 LEU A 19 3.329 0.521 27.403 1.00 24.11 H new ATOM 0 HD13 LEU A 19 3.456 -1.118 28.084 1.00 24.11 H new ATOM 0 HD21 LEU A 19 6.093 -1.824 26.657 1.00 24.41 H new ATOM 0 HD22 LEU A 19 4.690 -2.916 26.736 1.00 24.41 H new ATOM 0 HD23 LEU A 19 5.384 -2.473 25.159 1.00 24.41 H new ATOM 304 N SER A 20 2.974 1.975 25.532 1.00 73.10 N ATOM 305 CA SER A 20 3.006 3.162 26.378 1.00 51.54 C ATOM 306 C SER A 20 2.139 4.272 25.790 1.00 71.34 C ATOM 307 O SER A 20 1.743 5.203 26.491 1.00 62.01 O ATOM 308 CB SER A 20 4.444 3.657 26.543 1.00 10.55 C ATOM 309 OG SER A 20 4.773 4.611 25.548 1.00 63.30 O ATOM 0 H SER A 20 3.701 1.947 24.817 1.00 73.10 H new ATOM 0 HA SER A 20 2.607 2.892 27.356 1.00 51.54 H new ATOM 0 HB2 SER A 20 4.568 4.100 27.531 1.00 10.55 H new ATOM 0 HB3 SER A 20 5.131 2.813 26.483 1.00 10.55 H new ATOM 0 HG SER A 20 4.548 4.253 24.664 1.00 63.30 H new ATOM 315 N ASP A 21 1.848 4.164 24.498 1.00 51.41 N ATOM 316 CA ASP A 21 1.027 5.157 23.814 1.00 30.11 C ATOM 317 C ASP A 21 -0.427 5.065 24.267 1.00 22.02 C ATOM 318 O ASP A 21 -1.244 5.928 23.945 1.00 14.10 O ATOM 319 CB ASP A 21 1.115 4.966 22.299 1.00 0.41 C ATOM 320 CG ASP A 21 1.679 6.185 21.594 1.00 34.42 C ATOM 321 OD1 ASP A 21 1.048 7.260 21.672 1.00 71.04 O ATOM 322 OD2 ASP A 21 2.751 6.063 20.966 1.00 73.10 O ATOM 0 H ASP A 21 2.168 3.399 23.904 1.00 51.41 H new ATOM 0 HA ASP A 21 1.407 6.146 24.071 1.00 30.11 H new ATOM 0 HB2 ASP A 21 1.741 4.101 22.080 1.00 0.41 H new ATOM 0 HB3 ASP A 21 0.122 4.749 21.905 1.00 0.41 H new ATOM 327 N LEU A 22 -0.743 4.013 25.015 1.00 44.42 N ATOM 328 CA LEU A 22 -2.099 3.808 25.512 1.00 63.52 C ATOM 329 C LEU A 22 -2.152 3.961 27.028 1.00 0.24 C ATOM 330 O LEU A 22 -1.145 3.789 27.715 1.00 52.25 O ATOM 331 CB LEU A 22 -2.605 2.421 25.110 1.00 12.12 C ATOM 332 CG LEU A 22 -1.539 1.336 24.956 1.00 32.33 C ATOM 333 CD1 LEU A 22 -2.006 0.035 25.592 1.00 2.40 C ATOM 334 CD2 LEU A 22 -1.203 1.123 23.488 1.00 60.25 C ATOM 0 H LEU A 22 -0.079 3.289 25.290 1.00 44.42 H new ATOM 0 HA LEU A 22 -2.742 4.567 25.066 1.00 63.52 H new ATOM 0 HB2 LEU A 22 -3.327 2.089 25.856 1.00 12.12 H new ATOM 0 HB3 LEU A 22 -3.142 2.512 24.166 1.00 12.12 H new ATOM 0 HG LEU A 22 -0.636 1.665 25.471 1.00 32.33 H new ATOM 0 HD11 LEU A 22 -1.235 -0.726 25.473 1.00 2.40 H new ATOM 0 HD12 LEU A 22 -2.196 0.196 26.653 1.00 2.40 H new ATOM 0 HD13 LEU A 22 -2.923 -0.299 25.106 1.00 2.40 H new ATOM 0 HD21 LEU A 22 -0.443 0.347 23.398 1.00 60.25 H new ATOM 0 HD22 LEU A 22 -2.100 0.816 22.950 1.00 60.25 H new ATOM 0 HD23 LEU A 22 -0.825 2.053 23.063 1.00 60.25 H new ATOM 346 N GLU A 23 -3.334 4.284 27.544 1.00 0.03 N ATOM 347 CA GLU A 23 -3.518 4.459 28.980 1.00 1.12 C ATOM 348 C GLU A 23 -3.382 3.127 29.712 1.00 14.25 C ATOM 349 O GLU A 23 -3.717 2.074 29.172 1.00 62.33 O ATOM 350 CB GLU A 23 -4.888 5.076 29.270 1.00 61.11 C ATOM 351 CG GLU A 23 -4.998 6.534 28.858 1.00 11.44 C ATOM 352 CD GLU A 23 -6.389 6.901 28.378 1.00 44.54 C ATOM 353 OE1 GLU A 23 -6.667 6.723 27.174 1.00 41.35 O ATOM 354 OE2 GLU A 23 -7.199 7.367 29.207 1.00 65.04 O ATOM 0 H GLU A 23 -4.178 4.430 26.989 1.00 0.03 H new ATOM 0 HA GLU A 23 -2.741 5.133 29.341 1.00 1.12 H new ATOM 0 HB2 GLU A 23 -5.654 4.501 28.749 1.00 61.11 H new ATOM 0 HB3 GLU A 23 -5.097 4.992 30.337 1.00 61.11 H new ATOM 0 HG2 GLU A 23 -4.730 7.168 29.703 1.00 11.44 H new ATOM 0 HG3 GLU A 23 -4.278 6.739 28.066 1.00 11.44 H new ATOM 361 N GLU A 24 -2.889 3.184 30.946 1.00 61.04 N ATOM 362 CA GLU A 24 -2.708 1.982 31.751 1.00 1.23 C ATOM 363 C GLU A 24 -4.027 1.233 31.914 1.00 30.44 C ATOM 364 O GLU A 24 -4.049 0.006 32.000 1.00 73.30 O ATOM 365 CB GLU A 24 -2.141 2.343 33.126 1.00 44.44 C ATOM 366 CG GLU A 24 -3.024 3.291 33.919 1.00 52.31 C ATOM 367 CD GLU A 24 -2.246 4.439 34.533 1.00 64.42 C ATOM 368 OE1 GLU A 24 -2.085 5.476 33.857 1.00 44.01 O ATOM 369 OE2 GLU A 24 -1.797 4.298 35.690 1.00 13.31 O ATOM 0 H GLU A 24 -2.608 4.049 31.409 1.00 61.04 H new ATOM 0 HA GLU A 24 -2.002 1.332 31.234 1.00 1.23 H new ATOM 0 HB2 GLU A 24 -1.996 1.429 33.701 1.00 44.44 H new ATOM 0 HB3 GLU A 24 -1.159 2.798 32.997 1.00 44.44 H new ATOM 0 HG2 GLU A 24 -3.799 3.691 33.266 1.00 52.31 H new ATOM 0 HG3 GLU A 24 -3.529 2.736 34.709 1.00 52.31 H new ATOM 376 N ASN A 25 -5.125 1.981 31.957 1.00 24.01 N ATOM 377 CA ASN A 25 -6.448 1.388 32.111 1.00 12.32 C ATOM 378 C ASN A 25 -6.898 0.717 30.817 1.00 63.11 C ATOM 379 O ASN A 25 -8.008 0.192 30.731 1.00 51.32 O ATOM 380 CB ASN A 25 -7.463 2.456 32.524 1.00 12.20 C ATOM 381 CG ASN A 25 -7.980 3.251 31.340 1.00 30.14 C ATOM 382 OD1 ASN A 25 -8.929 2.843 30.671 1.00 35.34 O ATOM 383 ND2 ASN A 25 -7.355 4.393 31.076 1.00 34.44 N ATOM 0 H ASN A 25 -5.124 2.999 31.887 1.00 24.01 H new ATOM 0 HA ASN A 25 -6.390 0.629 32.891 1.00 12.32 H new ATOM 0 HB2 ASN A 25 -8.301 1.979 33.032 1.00 12.20 H new ATOM 0 HB3 ASN A 25 -7.001 3.135 33.240 1.00 12.20 H new ATOM 0 HD21 ASN A 25 -7.658 4.971 30.292 1.00 34.44 H new ATOM 0 HD22 ASN A 25 -6.572 4.692 31.658 1.00 34.44 H new ATOM 390 N ASP A 26 -6.027 0.737 29.814 1.00 54.15 N ATOM 391 CA ASP A 26 -6.333 0.129 28.524 1.00 53.02 C ATOM 392 C ASP A 26 -5.486 -1.119 28.297 1.00 34.41 C ATOM 393 O ASP A 26 -6.015 -2.209 28.074 1.00 10.23 O ATOM 394 CB ASP A 26 -6.097 1.133 27.394 1.00 72.40 C ATOM 395 CG ASP A 26 -7.052 2.309 27.455 1.00 30.53 C ATOM 396 OD1 ASP A 26 -7.985 2.273 28.285 1.00 2.32 O ATOM 397 OD2 ASP A 26 -6.866 3.265 26.674 1.00 30.41 O ATOM 0 H ASP A 26 -5.104 1.167 29.869 1.00 54.15 H new ATOM 0 HA ASP A 26 -7.383 -0.162 28.527 1.00 53.02 H new ATOM 0 HB2 ASP A 26 -5.071 1.499 27.445 1.00 72.40 H new ATOM 0 HB3 ASP A 26 -6.208 0.628 26.434 1.00 72.40 H new ATOM 402 N PHE A 27 -4.169 -0.953 28.354 1.00 32.14 N ATOM 403 CA PHE A 27 -3.249 -2.066 28.153 1.00 23.13 C ATOM 404 C PHE A 27 -3.488 -3.163 29.186 1.00 32.51 C ATOM 405 O PHE A 27 -3.369 -4.352 28.886 1.00 12.40 O ATOM 406 CB PHE A 27 -1.800 -1.579 28.236 1.00 35.24 C ATOM 407 CG PHE A 27 -1.051 -2.127 29.417 1.00 2.32 C ATOM 408 CD1 PHE A 27 -1.095 -1.481 30.642 1.00 22.24 C ATOM 409 CD2 PHE A 27 -0.302 -3.287 29.302 1.00 43.43 C ATOM 410 CE1 PHE A 27 -0.406 -1.983 31.731 1.00 15.51 C ATOM 411 CE2 PHE A 27 0.388 -3.793 30.387 1.00 44.31 C ATOM 412 CZ PHE A 27 0.337 -3.139 31.603 1.00 70.32 C ATOM 0 H PHE A 27 -3.715 -0.058 28.538 1.00 32.14 H new ATOM 0 HA PHE A 27 -3.430 -2.480 27.161 1.00 23.13 H new ATOM 0 HB2 PHE A 27 -1.277 -1.860 27.322 1.00 35.24 H new ATOM 0 HB3 PHE A 27 -1.793 -0.490 28.285 1.00 35.24 H new ATOM 0 HD1 PHE A 27 -1.674 -0.575 30.748 1.00 22.24 H new ATOM 0 HD2 PHE A 27 -0.257 -3.802 28.354 1.00 43.43 H new ATOM 0 HE1 PHE A 27 -0.449 -1.471 32.681 1.00 15.51 H new ATOM 0 HE2 PHE A 27 0.967 -4.699 30.285 1.00 44.31 H new ATOM 0 HZ PHE A 27 0.877 -3.532 32.452 1.00 70.32 H new ATOM 422 N LYS A 28 -3.826 -2.757 30.405 1.00 10.31 N ATOM 423 CA LYS A 28 -4.083 -3.703 31.484 1.00 35.00 C ATOM 424 C LYS A 28 -5.359 -4.497 31.219 1.00 44.03 C ATOM 425 O LYS A 28 -5.406 -5.707 31.441 1.00 75.14 O ATOM 426 CB LYS A 28 -4.198 -2.966 32.820 1.00 2.22 C ATOM 427 CG LYS A 28 -4.506 -3.879 33.994 1.00 12.12 C ATOM 428 CD LYS A 28 -3.321 -4.766 34.337 1.00 11.11 C ATOM 429 CE LYS A 28 -3.764 -6.180 34.682 1.00 53.53 C ATOM 430 NZ LYS A 28 -3.008 -7.202 33.907 1.00 33.22 N ATOM 0 H LYS A 28 -3.928 -1.778 30.671 1.00 10.31 H new ATOM 0 HA LYS A 28 -3.245 -4.399 31.530 1.00 35.00 H new ATOM 0 HB2 LYS A 28 -3.264 -2.439 33.016 1.00 2.22 H new ATOM 0 HB3 LYS A 28 -4.980 -2.211 32.743 1.00 2.22 H new ATOM 0 HG2 LYS A 28 -4.775 -3.278 34.863 1.00 12.12 H new ATOM 0 HG3 LYS A 28 -5.370 -4.500 33.756 1.00 12.12 H new ATOM 0 HD2 LYS A 28 -2.631 -4.795 33.494 1.00 11.11 H new ATOM 0 HD3 LYS A 28 -2.777 -4.338 35.179 1.00 11.11 H new ATOM 0 HE2 LYS A 28 -3.623 -6.355 35.749 1.00 53.53 H new ATOM 0 HE3 LYS A 28 -4.830 -6.286 34.480 1.00 53.53 H new ATOM 0 HZ1 LYS A 28 -3.428 -8.140 34.067 1.00 33.22 H new ATOM 0 HZ2 LYS A 28 -3.052 -6.972 32.894 1.00 33.22 H new ATOM 0 HZ3 LYS A 28 -2.016 -7.209 34.218 1.00 33.22 H new ATOM 444 N LYS A 29 -6.390 -3.809 30.741 1.00 10.22 N ATOM 445 CA LYS A 29 -7.665 -4.449 30.442 1.00 33.44 C ATOM 446 C LYS A 29 -7.476 -5.616 29.478 1.00 5.12 C ATOM 447 O LYS A 29 -8.041 -6.693 29.671 1.00 14.25 O ATOM 448 CB LYS A 29 -8.642 -3.434 29.845 1.00 0.21 C ATOM 449 CG LYS A 29 -9.824 -3.123 30.747 1.00 24.04 C ATOM 450 CD LYS A 29 -9.377 -2.484 32.051 1.00 4.43 C ATOM 451 CE LYS A 29 -10.534 -1.798 32.761 1.00 2.41 C ATOM 452 NZ LYS A 29 -11.008 -0.598 32.017 1.00 74.22 N ATOM 0 H LYS A 29 -6.367 -2.807 30.552 1.00 10.22 H new ATOM 0 HA LYS A 29 -8.076 -4.834 31.375 1.00 33.44 H new ATOM 0 HB2 LYS A 29 -8.106 -2.509 29.631 1.00 0.21 H new ATOM 0 HB3 LYS A 29 -9.012 -3.815 28.893 1.00 0.21 H new ATOM 0 HG2 LYS A 29 -10.511 -2.454 30.230 1.00 24.04 H new ATOM 0 HG3 LYS A 29 -10.372 -4.041 30.960 1.00 24.04 H new ATOM 0 HD2 LYS A 29 -8.949 -3.246 32.703 1.00 4.43 H new ATOM 0 HD3 LYS A 29 -8.590 -1.757 31.850 1.00 4.43 H new ATOM 0 HE2 LYS A 29 -11.358 -2.502 32.877 1.00 2.41 H new ATOM 0 HE3 LYS A 29 -10.222 -1.504 33.763 1.00 2.41 H new ATOM 0 HZ1 LYS A 29 -11.388 0.099 32.689 1.00 74.22 H new ATOM 0 HZ2 LYS A 29 -10.213 -0.177 31.494 1.00 74.22 H new ATOM 0 HZ3 LYS A 29 -11.754 -0.877 31.348 1.00 74.22 H new ATOM 466 N LEU A 30 -6.676 -5.396 28.441 1.00 45.22 N ATOM 467 CA LEU A 30 -6.410 -6.430 27.447 1.00 44.23 C ATOM 468 C LEU A 30 -5.534 -7.534 28.030 1.00 0.03 C ATOM 469 O LEU A 30 -5.885 -8.713 27.978 1.00 40.10 O ATOM 470 CB LEU A 30 -5.732 -5.821 26.218 1.00 64.31 C ATOM 471 CG LEU A 30 -5.800 -4.298 26.098 1.00 34.55 C ATOM 472 CD1 LEU A 30 -5.063 -3.827 24.855 1.00 51.31 C ATOM 473 CD2 LEU A 30 -7.248 -3.830 26.072 1.00 32.51 C ATOM 0 H LEU A 30 -6.200 -4.511 28.266 1.00 45.22 H new ATOM 0 HA LEU A 30 -7.363 -6.867 27.150 1.00 44.23 H new ATOM 0 HB2 LEU A 30 -4.683 -6.118 26.222 1.00 64.31 H new ATOM 0 HB3 LEU A 30 -6.183 -6.256 25.326 1.00 64.31 H new ATOM 0 HG LEU A 30 -5.313 -3.862 26.970 1.00 34.55 H new ATOM 0 HD11 LEU A 30 -5.122 -2.741 24.787 1.00 51.31 H new ATOM 0 HD12 LEU A 30 -4.018 -4.130 24.915 1.00 51.31 H new ATOM 0 HD13 LEU A 30 -5.520 -4.272 23.971 1.00 51.31 H new ATOM 0 HD21 LEU A 30 -7.278 -2.744 25.986 1.00 32.51 H new ATOM 0 HD22 LEU A 30 -7.759 -4.276 25.219 1.00 32.51 H new ATOM 0 HD23 LEU A 30 -7.746 -4.135 26.993 1.00 32.51 H new ATOM 485 N LYS A 31 -4.393 -7.144 28.588 1.00 21.24 N ATOM 486 CA LYS A 31 -3.467 -8.099 29.186 1.00 73.31 C ATOM 487 C LYS A 31 -4.147 -8.894 30.297 1.00 41.34 C ATOM 488 O LYS A 31 -3.762 -10.026 30.589 1.00 44.13 O ATOM 489 CB LYS A 31 -2.240 -7.373 29.741 1.00 13.34 C ATOM 490 CG LYS A 31 -1.365 -6.749 28.668 1.00 12.21 C ATOM 491 CD LYS A 31 -0.891 -7.785 27.663 1.00 24.35 C ATOM 492 CE LYS A 31 0.062 -7.179 26.645 1.00 43.32 C ATOM 493 NZ LYS A 31 1.366 -7.898 26.607 1.00 35.32 N ATOM 0 H LYS A 31 -4.087 -6.172 28.639 1.00 21.24 H new ATOM 0 HA LYS A 31 -3.149 -8.794 28.409 1.00 73.31 H new ATOM 0 HB2 LYS A 31 -2.569 -6.593 30.428 1.00 13.34 H new ATOM 0 HB3 LYS A 31 -1.643 -8.077 30.321 1.00 13.34 H new ATOM 0 HG2 LYS A 31 -1.923 -5.968 28.151 1.00 12.21 H new ATOM 0 HG3 LYS A 31 -0.503 -6.271 29.133 1.00 12.21 H new ATOM 0 HD2 LYS A 31 -0.394 -8.601 28.187 1.00 24.35 H new ATOM 0 HD3 LYS A 31 -1.751 -8.214 27.148 1.00 24.35 H new ATOM 0 HE2 LYS A 31 -0.397 -7.207 25.657 1.00 43.32 H new ATOM 0 HE3 LYS A 31 0.233 -6.130 26.887 1.00 43.32 H new ATOM 0 HZ1 LYS A 31 2.121 -7.266 26.943 1.00 35.32 H new ATOM 0 HZ2 LYS A 31 1.318 -8.737 27.220 1.00 35.32 H new ATOM 0 HZ3 LYS A 31 1.571 -8.193 25.631 1.00 35.32 H new ATOM 507 N PHE A 32 -5.161 -8.294 30.912 1.00 43.33 N ATOM 508 CA PHE A 32 -5.894 -8.946 31.990 1.00 14.21 C ATOM 509 C PHE A 32 -6.641 -10.173 31.475 1.00 13.15 C ATOM 510 O PHE A 32 -6.590 -11.243 32.081 1.00 34.55 O ATOM 511 CB PHE A 32 -6.880 -7.966 32.630 1.00 32.00 C ATOM 512 CG PHE A 32 -7.647 -8.553 33.781 1.00 40.24 C ATOM 513 CD1 PHE A 32 -8.823 -9.251 33.562 1.00 75.30 C ATOM 514 CD2 PHE A 32 -7.191 -8.405 35.081 1.00 75.42 C ATOM 515 CE1 PHE A 32 -9.531 -9.793 34.618 1.00 13.25 C ATOM 516 CE2 PHE A 32 -7.895 -8.945 36.141 1.00 23.11 C ATOM 517 CZ PHE A 32 -9.067 -9.639 35.910 1.00 43.51 C ATOM 0 H PHE A 32 -5.493 -7.358 30.682 1.00 43.33 H new ATOM 0 HA PHE A 32 -5.174 -9.270 32.742 1.00 14.21 H new ATOM 0 HB2 PHE A 32 -6.334 -7.089 32.977 1.00 32.00 H new ATOM 0 HB3 PHE A 32 -7.584 -7.624 31.871 1.00 32.00 H new ATOM 0 HD1 PHE A 32 -9.191 -9.373 32.554 1.00 75.30 H new ATOM 0 HD2 PHE A 32 -6.276 -7.862 35.268 1.00 75.42 H new ATOM 0 HE1 PHE A 32 -10.446 -10.336 34.433 1.00 13.25 H new ATOM 0 HE2 PHE A 32 -7.529 -8.824 37.150 1.00 23.11 H new ATOM 0 HZ PHE A 32 -9.619 -10.060 36.737 1.00 43.51 H new ATOM 527 N TYR A 33 -7.334 -10.009 30.354 1.00 14.23 N ATOM 528 CA TYR A 33 -8.095 -11.101 29.759 1.00 64.22 C ATOM 529 C TYR A 33 -7.280 -11.806 28.679 1.00 70.44 C ATOM 530 O TYR A 33 -7.083 -13.021 28.726 1.00 32.44 O ATOM 531 CB TYR A 33 -9.403 -10.576 29.165 1.00 1.04 C ATOM 532 CG TYR A 33 -10.110 -11.576 28.279 1.00 34.13 C ATOM 533 CD1 TYR A 33 -10.787 -12.661 28.825 1.00 44.42 C ATOM 534 CD2 TYR A 33 -10.102 -11.438 26.897 1.00 51.51 C ATOM 535 CE1 TYR A 33 -11.434 -13.577 28.019 1.00 30.43 C ATOM 536 CE2 TYR A 33 -10.748 -12.349 26.084 1.00 41.52 C ATOM 537 CZ TYR A 33 -11.412 -13.417 26.650 1.00 52.25 C ATOM 538 OH TYR A 33 -12.056 -14.327 25.843 1.00 65.32 O ATOM 0 H TYR A 33 -7.385 -9.130 29.839 1.00 14.23 H new ATOM 0 HA TYR A 33 -8.325 -11.821 30.545 1.00 64.22 H new ATOM 0 HB2 TYR A 33 -10.071 -10.287 29.977 1.00 1.04 H new ATOM 0 HB3 TYR A 33 -9.194 -9.675 28.588 1.00 1.04 H new ATOM 0 HD1 TYR A 33 -10.807 -12.789 29.897 1.00 44.42 H new ATOM 0 HD2 TYR A 33 -9.582 -10.604 26.450 1.00 51.51 H new ATOM 0 HE1 TYR A 33 -11.955 -14.415 28.459 1.00 30.43 H new ATOM 0 HE2 TYR A 33 -10.733 -12.226 25.011 1.00 41.52 H new ATOM 0 HH TYR A 33 -11.945 -14.068 24.904 1.00 65.32 H new ATOM 548 N LEU A 34 -6.808 -11.035 27.705 1.00 30.52 N ATOM 549 CA LEU A 34 -6.013 -11.584 26.612 1.00 73.22 C ATOM 550 C LEU A 34 -4.844 -12.404 27.147 1.00 61.41 C ATOM 551 O LEU A 34 -4.716 -13.591 26.846 1.00 71.23 O ATOM 552 CB LEU A 34 -5.494 -10.457 25.717 1.00 23.34 C ATOM 553 CG LEU A 34 -5.870 -10.547 24.238 1.00 64.21 C ATOM 554 CD1 LEU A 34 -7.263 -9.984 24.006 1.00 11.01 C ATOM 555 CD2 LEU A 34 -4.847 -9.814 23.382 1.00 21.03 C ATOM 0 H LEU A 34 -6.962 -10.028 27.650 1.00 30.52 H new ATOM 0 HA LEU A 34 -6.654 -12.241 26.024 1.00 73.22 H new ATOM 0 HB2 LEU A 34 -5.865 -9.510 26.108 1.00 23.34 H new ATOM 0 HB3 LEU A 34 -4.407 -10.430 25.794 1.00 23.34 H new ATOM 0 HG LEU A 34 -5.872 -11.597 23.947 1.00 64.21 H new ATOM 0 HD11 LEU A 34 -7.513 -10.057 22.948 1.00 11.01 H new ATOM 0 HD12 LEU A 34 -7.987 -10.552 24.590 1.00 11.01 H new ATOM 0 HD13 LEU A 34 -7.289 -8.939 24.314 1.00 11.01 H new ATOM 0 HD21 LEU A 34 -5.131 -9.889 22.332 1.00 21.03 H new ATOM 0 HD22 LEU A 34 -4.812 -8.765 23.675 1.00 21.03 H new ATOM 0 HD23 LEU A 34 -3.864 -10.263 23.525 1.00 21.03 H new ATOM 567 N ARG A 35 -3.994 -11.764 27.944 1.00 73.25 N ATOM 568 CA ARG A 35 -2.836 -12.435 28.522 1.00 40.24 C ATOM 569 C ARG A 35 -3.268 -13.597 29.411 1.00 73.13 C ATOM 570 O ARG A 35 -2.665 -14.670 29.384 1.00 4.34 O ATOM 571 CB ARG A 35 -1.998 -11.444 29.331 1.00 2.33 C ATOM 572 CG ARG A 35 -0.501 -11.587 29.108 1.00 52.23 C ATOM 573 CD ARG A 35 0.263 -11.563 30.422 1.00 3.30 C ATOM 574 NE ARG A 35 0.448 -10.203 30.923 1.00 64.42 N ATOM 575 CZ ARG A 35 -0.333 -9.645 31.841 1.00 73.54 C ATOM 576 NH1 ARG A 35 -1.347 -10.327 32.355 1.00 14.14 N ATOM 577 NH2 ARG A 35 -0.101 -8.403 32.246 1.00 62.44 N ATOM 0 H ARG A 35 -4.086 -10.782 28.204 1.00 73.25 H new ATOM 0 HA ARG A 35 -2.232 -12.831 27.706 1.00 40.24 H new ATOM 0 HB2 ARG A 35 -2.300 -10.429 29.072 1.00 2.33 H new ATOM 0 HB3 ARG A 35 -2.213 -11.580 30.391 1.00 2.33 H new ATOM 0 HG2 ARG A 35 -0.298 -12.521 28.585 1.00 52.23 H new ATOM 0 HG3 ARG A 35 -0.149 -10.779 28.466 1.00 52.23 H new ATOM 0 HD2 ARG A 35 -0.274 -12.153 31.165 1.00 3.30 H new ATOM 0 HD3 ARG A 35 1.236 -12.034 30.284 1.00 3.30 H new ATOM 0 HE ARG A 35 1.219 -9.652 30.547 1.00 64.42 H new ATOM 0 HH11 ARG A 35 -1.528 -11.282 32.046 1.00 14.14 H new ATOM 0 HH12 ARG A 35 -1.946 -9.897 33.060 1.00 14.14 H new ATOM 0 HH21 ARG A 35 0.678 -7.875 31.852 1.00 62.44 H new ATOM 0 HH22 ARG A 35 -0.702 -7.976 32.951 1.00 62.44 H new ATOM 591 N ASP A 36 -4.316 -13.376 30.197 1.00 51.13 N ATOM 592 CA ASP A 36 -4.830 -14.405 31.094 1.00 41.44 C ATOM 593 C ASP A 36 -4.981 -15.736 30.364 1.00 52.41 C ATOM 594 O ASP A 36 -4.546 -16.777 30.855 1.00 13.22 O ATOM 595 CB ASP A 36 -6.175 -13.974 31.680 1.00 34.41 C ATOM 596 CG ASP A 36 -7.046 -15.156 32.060 1.00 62.22 C ATOM 597 OD1 ASP A 36 -7.777 -15.660 31.182 1.00 21.21 O ATOM 598 OD2 ASP A 36 -6.996 -15.577 33.235 1.00 55.40 O ATOM 0 H ASP A 36 -4.826 -12.494 30.231 1.00 51.13 H new ATOM 0 HA ASP A 36 -4.114 -14.536 31.906 1.00 41.44 H new ATOM 0 HB2 ASP A 36 -6.003 -13.355 32.561 1.00 34.41 H new ATOM 0 HB3 ASP A 36 -6.703 -13.356 30.954 1.00 34.41 H new ATOM 603 N MET A 37 -5.601 -15.693 29.189 1.00 35.53 N ATOM 604 CA MET A 37 -5.810 -16.897 28.392 1.00 40.40 C ATOM 605 C MET A 37 -4.630 -17.140 27.457 1.00 60.15 C ATOM 606 O MET A 37 -3.904 -18.124 27.599 1.00 24.41 O ATOM 607 CB MET A 37 -7.102 -16.780 27.582 1.00 55.32 C ATOM 608 CG MET A 37 -8.359 -16.781 28.438 1.00 64.52 C ATOM 609 SD MET A 37 -9.752 -17.586 27.624 1.00 14.43 S ATOM 610 CE MET A 37 -9.765 -16.731 26.050 1.00 24.12 C ATOM 0 H MET A 37 -5.967 -14.839 28.768 1.00 35.53 H new ATOM 0 HA MET A 37 -5.892 -17.744 29.073 1.00 40.40 H new ATOM 0 HB2 MET A 37 -7.072 -15.861 26.996 1.00 55.32 H new ATOM 0 HB3 MET A 37 -7.154 -17.607 26.874 1.00 55.32 H new ATOM 0 HG2 MET A 37 -8.152 -17.288 29.381 1.00 64.52 H new ATOM 0 HG3 MET A 37 -8.629 -15.753 28.681 1.00 64.52 H new ATOM 0 HE1 MET A 37 -10.725 -16.888 25.559 1.00 24.12 H new ATOM 0 HE2 MET A 37 -9.611 -15.664 26.214 1.00 24.12 H new ATOM 0 HE3 MET A 37 -8.967 -17.120 25.418 1.00 24.12 H new ATOM 620 N THR A 38 -4.444 -16.238 26.498 1.00 1.42 N ATOM 621 CA THR A 38 -3.353 -16.355 25.539 1.00 73.43 C ATOM 622 C THR A 38 -2.055 -16.758 26.229 1.00 41.43 C ATOM 623 O THR A 38 -1.330 -17.631 25.750 1.00 33.22 O ATOM 624 CB THR A 38 -3.129 -15.035 24.778 1.00 53.11 C ATOM 625 OG1 THR A 38 -2.587 -14.047 25.661 1.00 42.31 O ATOM 626 CG2 THR A 38 -4.433 -14.527 24.180 1.00 64.12 C ATOM 0 H THR A 38 -5.036 -15.418 26.365 1.00 1.42 H new ATOM 0 HA THR A 38 -3.639 -17.130 24.828 1.00 73.43 H new ATOM 0 HB THR A 38 -2.425 -15.223 23.967 1.00 53.11 H new ATOM 0 HG1 THR A 38 -3.123 -14.012 26.481 1.00 42.31 H new ATOM 0 HG21 THR A 38 -4.250 -13.594 23.647 1.00 64.12 H new ATOM 0 HG22 THR A 38 -4.829 -15.269 23.486 1.00 64.12 H new ATOM 0 HG23 THR A 38 -5.156 -14.354 24.977 1.00 64.12 H new ATOM 634 N LEU A 39 -1.766 -16.116 27.356 1.00 72.43 N ATOM 635 CA LEU A 39 -0.554 -16.408 28.113 1.00 30.31 C ATOM 636 C LEU A 39 -0.885 -17.139 29.410 1.00 32.23 C ATOM 637 O LEU A 39 -2.054 -17.335 29.743 1.00 21.01 O ATOM 638 CB LEU A 39 0.202 -15.115 28.422 1.00 51.22 C ATOM 639 CG LEU A 39 1.077 -14.563 27.295 1.00 34.34 C ATOM 640 CD1 LEU A 39 0.222 -13.862 26.251 1.00 63.03 C ATOM 641 CD2 LEU A 39 2.128 -13.614 27.852 1.00 34.12 C ATOM 0 H LEU A 39 -2.354 -15.390 27.765 1.00 72.43 H new ATOM 0 HA LEU A 39 0.078 -17.054 27.504 1.00 30.31 H new ATOM 0 HB2 LEU A 39 -0.524 -14.351 28.699 1.00 51.22 H new ATOM 0 HB3 LEU A 39 0.833 -15.286 29.294 1.00 51.22 H new ATOM 0 HG LEU A 39 1.588 -15.398 26.815 1.00 34.34 H new ATOM 0 HD11 LEU A 39 0.861 -13.476 25.457 1.00 63.03 H new ATOM 0 HD12 LEU A 39 -0.492 -14.570 25.830 1.00 63.03 H new ATOM 0 HD13 LEU A 39 -0.317 -13.037 26.717 1.00 63.03 H new ATOM 0 HD21 LEU A 39 2.741 -13.231 27.036 1.00 34.12 H new ATOM 0 HD22 LEU A 39 1.636 -12.783 28.358 1.00 34.12 H new ATOM 0 HD23 LEU A 39 2.760 -14.147 28.562 1.00 34.12 H new ATOM 784 N GLY A 49 -0.071 1.118 37.959 1.00 34.31 N ATOM 785 CA GLY A 49 1.246 1.726 37.965 1.00 41.24 C ATOM 786 C GLY A 49 2.246 0.952 37.128 1.00 14.41 C ATOM 787 O GLY A 49 3.368 1.408 36.913 1.00 24.33 O ATOM 0 HA2 GLY A 49 1.174 2.746 37.588 1.00 41.24 H new ATOM 0 HA3 GLY A 49 1.608 1.790 38.991 1.00 41.24 H new ATOM 791 N GLU A 50 1.837 -0.221 36.656 1.00 23.53 N ATOM 792 CA GLU A 50 2.707 -1.061 35.841 1.00 44.31 C ATOM 793 C GLU A 50 3.094 -0.349 34.548 1.00 50.33 C ATOM 794 O GLU A 50 4.147 -0.619 33.968 1.00 55.34 O ATOM 795 CB GLU A 50 2.017 -2.388 35.519 1.00 41.24 C ATOM 796 CG GLU A 50 2.703 -3.596 36.133 1.00 5.15 C ATOM 797 CD GLU A 50 2.739 -3.538 37.648 1.00 22.33 C ATOM 798 OE1 GLU A 50 3.426 -2.648 38.191 1.00 24.05 O ATOM 799 OE2 GLU A 50 2.081 -4.383 38.290 1.00 12.14 O ATOM 0 H GLU A 50 0.910 -0.611 36.824 1.00 23.53 H new ATOM 0 HA GLU A 50 3.614 -1.261 36.411 1.00 44.31 H new ATOM 0 HB2 GLU A 50 0.987 -2.347 35.873 1.00 41.24 H new ATOM 0 HB3 GLU A 50 1.978 -2.514 34.437 1.00 41.24 H new ATOM 0 HG2 GLU A 50 2.184 -4.502 35.820 1.00 5.15 H new ATOM 0 HG3 GLU A 50 3.722 -3.664 35.751 1.00 5.15 H new ATOM 806 N LEU A 51 2.235 0.561 34.101 1.00 5.31 N ATOM 807 CA LEU A 51 2.486 1.313 32.876 1.00 35.11 C ATOM 808 C LEU A 51 2.766 2.780 33.185 1.00 42.00 C ATOM 809 O LEU A 51 3.679 3.379 32.618 1.00 3.34 O ATOM 810 CB LEU A 51 1.288 1.199 31.931 1.00 21.10 C ATOM 811 CG LEU A 51 1.329 2.085 30.686 1.00 42.13 C ATOM 812 CD1 LEU A 51 2.573 1.790 29.861 1.00 14.02 C ATOM 813 CD2 LEU A 51 0.073 1.888 29.849 1.00 3.23 C ATOM 0 H LEU A 51 1.359 0.796 34.568 1.00 5.31 H new ATOM 0 HA LEU A 51 3.366 0.889 32.392 1.00 35.11 H new ATOM 0 HB2 LEU A 51 1.201 0.161 31.611 1.00 21.10 H new ATOM 0 HB3 LEU A 51 0.384 1.437 32.492 1.00 21.10 H new ATOM 0 HG LEU A 51 1.369 3.126 31.006 1.00 42.13 H new ATOM 0 HD11 LEU A 51 2.585 2.430 28.979 1.00 14.02 H new ATOM 0 HD12 LEU A 51 3.462 1.983 30.461 1.00 14.02 H new ATOM 0 HD13 LEU A 51 2.565 0.745 29.551 1.00 14.02 H new ATOM 0 HD21 LEU A 51 0.120 2.527 28.967 1.00 3.23 H new ATOM 0 HD22 LEU A 51 0.002 0.845 29.539 1.00 3.23 H new ATOM 0 HD23 LEU A 51 -0.804 2.151 30.441 1.00 3.23 H new ATOM 825 N GLU A 52 1.976 3.351 34.089 1.00 73.14 N ATOM 826 CA GLU A 52 2.141 4.748 34.473 1.00 31.34 C ATOM 827 C GLU A 52 3.381 4.929 35.344 1.00 13.14 C ATOM 828 O GLU A 52 4.258 5.734 35.035 1.00 13.50 O ATOM 829 CB GLU A 52 0.902 5.244 35.221 1.00 33.24 C ATOM 830 CG GLU A 52 1.134 6.528 36.000 1.00 70.13 C ATOM 831 CD GLU A 52 1.231 6.294 37.495 1.00 53.51 C ATOM 832 OE1 GLU A 52 0.231 5.842 38.091 1.00 3.23 O ATOM 833 OE2 GLU A 52 2.307 6.564 38.068 1.00 0.13 O ATOM 0 H GLU A 52 1.216 2.868 34.569 1.00 73.14 H new ATOM 0 HA GLU A 52 2.267 5.336 33.564 1.00 31.34 H new ATOM 0 HB2 GLU A 52 0.096 5.404 34.505 1.00 33.24 H new ATOM 0 HB3 GLU A 52 0.568 4.467 35.909 1.00 33.24 H new ATOM 0 HG2 GLU A 52 2.052 7.000 35.650 1.00 70.13 H new ATOM 0 HG3 GLU A 52 0.320 7.224 35.797 1.00 70.13 H new ATOM 840 N GLY A 53 3.445 4.174 36.437 1.00 63.53 N ATOM 841 CA GLY A 53 4.580 4.266 37.336 1.00 22.25 C ATOM 842 C GLY A 53 5.850 3.705 36.727 1.00 1.34 C ATOM 843 O GLY A 53 6.854 4.409 36.609 1.00 50.12 O ATOM 0 H GLY A 53 2.731 3.501 36.715 1.00 63.53 H new ATOM 0 HA2 GLY A 53 4.741 5.309 37.607 1.00 22.25 H new ATOM 0 HA3 GLY A 53 4.354 3.729 38.257 1.00 22.25 H new ATOM 847 N LEU A 54 5.808 2.435 36.341 1.00 23.15 N ATOM 848 CA LEU A 54 6.965 1.779 35.742 1.00 25.25 C ATOM 849 C LEU A 54 7.168 2.240 34.303 1.00 71.44 C ATOM 850 O LEU A 54 6.560 3.216 33.862 1.00 63.32 O ATOM 851 CB LEU A 54 6.793 0.259 35.784 1.00 4.44 C ATOM 852 CG LEU A 54 6.279 -0.322 37.102 1.00 44.20 C ATOM 853 CD1 LEU A 54 6.267 -1.842 37.046 1.00 13.51 C ATOM 854 CD2 LEU A 54 7.130 0.164 38.267 1.00 73.22 C ATOM 0 H LEU A 54 4.985 1.839 36.432 1.00 23.15 H new ATOM 0 HA LEU A 54 7.847 2.055 36.320 1.00 25.25 H new ATOM 0 HB2 LEU A 54 6.105 -0.031 34.990 1.00 4.44 H new ATOM 0 HB3 LEU A 54 7.754 -0.202 35.557 1.00 4.44 H new ATOM 0 HG LEU A 54 5.257 0.024 37.256 1.00 44.20 H new ATOM 0 HD11 LEU A 54 5.898 -2.238 37.992 1.00 13.51 H new ATOM 0 HD12 LEU A 54 5.615 -2.171 36.236 1.00 13.51 H new ATOM 0 HD13 LEU A 54 7.279 -2.208 36.869 1.00 13.51 H new ATOM 0 HD21 LEU A 54 6.750 -0.259 39.197 1.00 73.22 H new ATOM 0 HD22 LEU A 54 8.163 -0.152 38.120 1.00 73.22 H new ATOM 0 HD23 LEU A 54 7.088 1.252 38.320 1.00 73.22 H new ATOM 866 N ILE A 55 8.023 1.530 33.574 1.00 23.15 N ATOM 867 CA ILE A 55 8.303 1.864 32.184 1.00 54.45 C ATOM 868 C ILE A 55 7.950 0.705 31.258 1.00 62.11 C ATOM 869 O ILE A 55 7.837 -0.446 31.679 1.00 25.34 O ATOM 870 CB ILE A 55 9.783 2.237 31.980 1.00 21.15 C ATOM 871 CG1 ILE A 55 10.689 1.163 32.585 1.00 25.34 C ATOM 872 CG2 ILE A 55 10.077 3.595 32.599 1.00 41.41 C ATOM 873 CD1 ILE A 55 12.148 1.561 32.636 1.00 71.15 C ATOM 0 H ILE A 55 8.534 0.719 33.924 1.00 23.15 H new ATOM 0 HA ILE A 55 7.683 2.726 31.937 1.00 54.45 H new ATOM 0 HB ILE A 55 9.984 2.296 30.910 1.00 21.15 H new ATOM 0 HG12 ILE A 55 10.347 0.937 33.595 1.00 25.34 H new ATOM 0 HG13 ILE A 55 10.591 0.247 32.003 1.00 25.34 H new ATOM 0 HG21 ILE A 55 11.127 3.845 32.447 1.00 41.41 H new ATOM 0 HG22 ILE A 55 9.452 4.353 32.127 1.00 41.41 H new ATOM 0 HG23 ILE A 55 9.863 3.562 33.667 1.00 41.41 H new ATOM 0 HD11 ILE A 55 12.731 0.752 33.076 1.00 71.15 H new ATOM 0 HD12 ILE A 55 12.507 1.758 31.626 1.00 71.15 H new ATOM 0 HD13 ILE A 55 12.259 2.460 33.242 1.00 71.15 H new ATOM 885 N PRO A 56 7.773 1.013 29.965 1.00 43.15 N ATOM 886 CA PRO A 56 7.433 0.010 28.951 1.00 25.00 C ATOM 887 C PRO A 56 8.590 -0.942 28.667 1.00 22.11 C ATOM 888 O PRO A 56 8.392 -2.147 28.514 1.00 60.44 O ATOM 889 CB PRO A 56 7.117 0.851 27.712 1.00 74.11 C ATOM 890 CG PRO A 56 7.877 2.117 27.909 1.00 72.13 C ATOM 891 CD PRO A 56 7.892 2.365 29.392 1.00 71.42 C ATOM 0 HA PRO A 56 6.610 -0.629 29.270 1.00 25.00 H new ATOM 0 HB2 PRO A 56 7.426 0.342 26.799 1.00 74.11 H new ATOM 0 HB3 PRO A 56 6.047 1.041 27.625 1.00 74.11 H new ATOM 0 HG2 PRO A 56 8.891 2.028 27.518 1.00 72.13 H new ATOM 0 HG3 PRO A 56 7.402 2.943 27.380 1.00 72.13 H new ATOM 0 HD2 PRO A 56 8.812 2.856 29.708 1.00 71.42 H new ATOM 0 HD3 PRO A 56 7.066 3.006 29.701 1.00 71.42 H new ATOM 899 N VAL A 57 9.799 -0.394 28.599 1.00 1.40 N ATOM 900 CA VAL A 57 10.988 -1.195 28.335 1.00 4.21 C ATOM 901 C VAL A 57 11.234 -2.199 29.456 1.00 44.23 C ATOM 902 O VAL A 57 11.962 -3.176 29.279 1.00 74.33 O ATOM 903 CB VAL A 57 12.237 -0.308 28.172 1.00 63.44 C ATOM 904 CG1 VAL A 57 13.461 -1.160 27.873 1.00 65.25 C ATOM 905 CG2 VAL A 57 12.017 0.725 27.078 1.00 52.54 C ATOM 0 H VAL A 57 9.981 0.602 28.723 1.00 1.40 H new ATOM 0 HA VAL A 57 10.808 -1.732 27.403 1.00 4.21 H new ATOM 0 HB VAL A 57 12.411 0.220 29.109 1.00 63.44 H new ATOM 0 HG11 VAL A 57 14.334 -0.517 27.761 1.00 65.25 H new ATOM 0 HG12 VAL A 57 13.628 -1.858 28.693 1.00 65.25 H new ATOM 0 HG13 VAL A 57 13.300 -1.717 26.950 1.00 65.25 H new ATOM 0 HG21 VAL A 57 12.909 1.343 26.976 1.00 52.54 H new ATOM 0 HG22 VAL A 57 11.817 0.218 26.134 1.00 52.54 H new ATOM 0 HG23 VAL A 57 11.167 1.355 27.338 1.00 52.54 H new ATOM 915 N ASP A 58 10.623 -1.951 30.609 1.00 63.11 N ATOM 916 CA ASP A 58 10.774 -2.835 31.759 1.00 3.54 C ATOM 917 C ASP A 58 9.675 -3.892 31.780 1.00 24.42 C ATOM 918 O ASP A 58 9.950 -5.086 31.909 1.00 23.12 O ATOM 919 CB ASP A 58 10.746 -2.026 33.057 1.00 12.04 C ATOM 920 CG ASP A 58 11.039 -2.878 34.277 1.00 42.14 C ATOM 921 OD1 ASP A 58 12.230 -3.034 34.619 1.00 2.23 O ATOM 922 OD2 ASP A 58 10.078 -3.388 34.889 1.00 51.12 O ATOM 0 H ASP A 58 10.019 -1.146 30.772 1.00 63.11 H new ATOM 0 HA ASP A 58 11.736 -3.340 31.675 1.00 3.54 H new ATOM 0 HB2 ASP A 58 11.478 -1.221 32.996 1.00 12.04 H new ATOM 0 HB3 ASP A 58 9.767 -1.559 33.170 1.00 12.04 H new ATOM 927 N LEU A 59 8.430 -3.447 31.654 1.00 63.04 N ATOM 928 CA LEU A 59 7.289 -4.355 31.659 1.00 74.22 C ATOM 929 C LEU A 59 7.246 -5.183 30.379 1.00 71.54 C ATOM 930 O LEU A 59 6.843 -6.346 30.393 1.00 31.11 O ATOM 931 CB LEU A 59 5.986 -3.568 31.814 1.00 3.11 C ATOM 932 CG LEU A 59 5.003 -3.660 30.647 1.00 43.45 C ATOM 933 CD1 LEU A 59 3.615 -3.218 31.082 1.00 52.52 C ATOM 934 CD2 LEU A 59 5.489 -2.821 29.473 1.00 12.44 C ATOM 0 H LEU A 59 8.185 -2.463 31.547 1.00 63.04 H new ATOM 0 HA LEU A 59 7.400 -5.033 32.505 1.00 74.22 H new ATOM 0 HB2 LEU A 59 5.481 -3.914 32.716 1.00 3.11 H new ATOM 0 HB3 LEU A 59 6.235 -2.519 31.971 1.00 3.11 H new ATOM 0 HG LEU A 59 4.946 -4.700 30.326 1.00 43.45 H new ATOM 0 HD11 LEU A 59 2.929 -3.290 30.238 1.00 52.52 H new ATOM 0 HD12 LEU A 59 3.265 -3.860 31.890 1.00 52.52 H new ATOM 0 HD13 LEU A 59 3.654 -2.186 31.430 1.00 52.52 H new ATOM 0 HD21 LEU A 59 4.777 -2.898 28.651 1.00 12.44 H new ATOM 0 HD22 LEU A 59 5.575 -1.779 29.781 1.00 12.44 H new ATOM 0 HD23 LEU A 59 6.463 -3.184 29.145 1.00 12.44 H new ATOM 946 N ALA A 60 7.666 -4.577 29.273 1.00 22.03 N ATOM 947 CA ALA A 60 7.680 -5.260 27.985 1.00 11.35 C ATOM 948 C ALA A 60 8.747 -6.348 27.953 1.00 62.44 C ATOM 949 O ALA A 60 8.480 -7.479 27.548 1.00 62.23 O ATOM 950 CB ALA A 60 7.908 -4.261 26.861 1.00 54.51 C ATOM 0 H ALA A 60 8.001 -3.614 29.243 1.00 22.03 H new ATOM 0 HA ALA A 60 6.709 -5.735 27.842 1.00 11.35 H new ATOM 0 HB1 ALA A 60 7.916 -4.785 25.905 1.00 54.51 H new ATOM 0 HB2 ALA A 60 7.107 -3.522 26.863 1.00 54.51 H new ATOM 0 HB3 ALA A 60 8.865 -3.760 27.008 1.00 54.51 H new ATOM 956 N GLU A 61 9.956 -5.999 28.381 1.00 42.33 N ATOM 957 CA GLU A 61 11.064 -6.947 28.398 1.00 34.21 C ATOM 958 C GLU A 61 10.703 -8.189 29.208 1.00 62.53 C ATOM 959 O GLU A 61 11.131 -9.299 28.887 1.00 31.20 O ATOM 960 CB GLU A 61 12.317 -6.291 28.981 1.00 61.11 C ATOM 961 CG GLU A 61 12.273 -6.128 30.491 1.00 54.11 C ATOM 962 CD GLU A 61 13.633 -5.816 31.084 1.00 13.42 C ATOM 963 OE1 GLU A 61 14.395 -6.768 31.353 1.00 51.23 O ATOM 964 OE2 GLU A 61 13.935 -4.620 31.280 1.00 33.02 O ATOM 0 H GLU A 61 10.193 -5.067 28.721 1.00 42.33 H new ATOM 0 HA GLU A 61 11.266 -7.250 27.371 1.00 34.21 H new ATOM 0 HB2 GLU A 61 13.188 -6.890 28.714 1.00 61.11 H new ATOM 0 HB3 GLU A 61 12.451 -5.311 28.522 1.00 61.11 H new ATOM 0 HG2 GLU A 61 11.577 -5.329 30.746 1.00 54.11 H new ATOM 0 HG3 GLU A 61 11.886 -7.043 30.940 1.00 54.11 H new ATOM 971 N LEU A 62 9.915 -7.995 30.259 1.00 54.12 N ATOM 972 CA LEU A 62 9.496 -9.099 31.116 1.00 1.30 C ATOM 973 C LEU A 62 8.422 -9.941 30.434 1.00 4.33 C ATOM 974 O LEU A 62 8.426 -11.169 30.533 1.00 53.44 O ATOM 975 CB LEU A 62 8.971 -8.564 32.449 1.00 13.14 C ATOM 976 CG LEU A 62 8.279 -9.583 33.356 1.00 41.03 C ATOM 977 CD1 LEU A 62 8.514 -9.242 34.819 1.00 15.30 C ATOM 978 CD2 LEU A 62 6.789 -9.642 33.052 1.00 62.20 C ATOM 0 H LEU A 62 9.553 -7.083 30.539 1.00 54.12 H new ATOM 0 HA LEU A 62 10.364 -9.732 31.302 1.00 1.30 H new ATOM 0 HB2 LEU A 62 9.806 -8.128 32.997 1.00 13.14 H new ATOM 0 HB3 LEU A 62 8.269 -7.756 32.242 1.00 13.14 H new ATOM 0 HG LEU A 62 8.708 -10.566 33.160 1.00 41.03 H new ATOM 0 HD11 LEU A 62 8.014 -9.978 35.449 1.00 15.30 H new ATOM 0 HD12 LEU A 62 9.584 -9.252 35.028 1.00 15.30 H new ATOM 0 HD13 LEU A 62 8.113 -8.251 35.031 1.00 15.30 H new ATOM 0 HD21 LEU A 62 6.313 -10.372 33.707 1.00 62.20 H new ATOM 0 HD22 LEU A 62 6.345 -8.661 33.219 1.00 62.20 H new ATOM 0 HD23 LEU A 62 6.641 -9.936 32.013 1.00 62.20 H new ATOM 990 N LEU A 63 7.506 -9.274 29.742 1.00 40.44 N ATOM 991 CA LEU A 63 6.427 -9.961 29.041 1.00 53.54 C ATOM 992 C LEU A 63 6.976 -10.836 27.919 1.00 23.22 C ATOM 993 O LEU A 63 6.616 -12.008 27.800 1.00 52.53 O ATOM 994 CB LEU A 63 5.435 -8.945 28.471 1.00 73.13 C ATOM 995 CG LEU A 63 3.956 -9.229 28.737 1.00 60.12 C ATOM 996 CD1 LEU A 63 3.590 -10.631 28.273 1.00 11.52 C ATOM 997 CD2 LEU A 63 3.637 -9.054 30.214 1.00 14.32 C ATOM 0 H LEU A 63 7.488 -8.258 29.651 1.00 40.44 H new ATOM 0 HA LEU A 63 5.912 -10.601 29.757 1.00 53.54 H new ATOM 0 HB2 LEU A 63 5.675 -7.964 28.880 1.00 73.13 H new ATOM 0 HB3 LEU A 63 5.585 -8.886 27.393 1.00 73.13 H new ATOM 0 HG LEU A 63 3.360 -8.514 28.170 1.00 60.12 H new ATOM 0 HD11 LEU A 63 2.534 -10.815 28.470 1.00 11.52 H new ATOM 0 HD12 LEU A 63 3.781 -10.722 27.204 1.00 11.52 H new ATOM 0 HD13 LEU A 63 4.193 -11.362 28.812 1.00 11.52 H new ATOM 0 HD21 LEU A 63 2.580 -9.260 30.385 1.00 14.32 H new ATOM 0 HD22 LEU A 63 4.241 -9.746 30.801 1.00 14.32 H new ATOM 0 HD23 LEU A 63 3.861 -8.031 30.516 1.00 14.32 H new ATOM 1009 N ILE A 64 7.852 -10.261 27.101 1.00 34.05 N ATOM 1010 CA ILE A 64 8.453 -10.990 25.992 1.00 23.41 C ATOM 1011 C ILE A 64 9.210 -12.218 26.487 1.00 2.05 C ATOM 1012 O ILE A 64 9.256 -13.246 25.812 1.00 32.22 O ATOM 1013 CB ILE A 64 9.416 -10.097 25.188 1.00 64.43 C ATOM 1014 CG1 ILE A 64 10.556 -9.604 26.082 1.00 54.51 C ATOM 1015 CG2 ILE A 64 8.666 -8.922 24.579 1.00 33.25 C ATOM 1016 CD1 ILE A 64 11.584 -8.773 25.347 1.00 51.32 C ATOM 0 H ILE A 64 8.161 -9.293 27.186 1.00 34.05 H new ATOM 0 HA ILE A 64 7.637 -11.307 25.343 1.00 23.41 H new ATOM 0 HB ILE A 64 9.844 -10.687 24.378 1.00 64.43 H new ATOM 0 HG12 ILE A 64 10.138 -9.013 26.897 1.00 54.51 H new ATOM 0 HG13 ILE A 64 11.051 -10.464 26.533 1.00 54.51 H new ATOM 0 HG21 ILE A 64 9.361 -8.300 24.014 1.00 33.25 H new ATOM 0 HG22 ILE A 64 7.887 -9.293 23.913 1.00 33.25 H new ATOM 0 HG23 ILE A 64 8.212 -8.329 25.373 1.00 33.25 H new ATOM 0 HD11 ILE A 64 12.362 -8.458 26.042 1.00 51.32 H new ATOM 0 HD12 ILE A 64 12.029 -9.367 24.549 1.00 51.32 H new ATOM 0 HD13 ILE A 64 11.102 -7.894 24.919 1.00 51.32 H new ATOM 1028 N SER A 65 9.802 -12.103 27.672 1.00 31.42 N ATOM 1029 CA SER A 65 10.559 -13.203 28.258 1.00 31.41 C ATOM 1030 C SER A 65 9.625 -14.226 28.898 1.00 14.54 C ATOM 1031 O SER A 65 9.950 -15.409 28.992 1.00 23.15 O ATOM 1032 CB SER A 65 11.545 -12.673 29.301 1.00 60.42 C ATOM 1033 OG SER A 65 11.733 -13.610 30.347 1.00 21.24 O ATOM 0 H SER A 65 9.772 -11.259 28.245 1.00 31.42 H new ATOM 0 HA SER A 65 11.115 -13.694 27.459 1.00 31.41 H new ATOM 0 HB2 SER A 65 12.502 -12.458 28.825 1.00 60.42 H new ATOM 0 HB3 SER A 65 11.175 -11.734 29.712 1.00 60.42 H new ATOM 0 HG SER A 65 12.368 -13.249 31.000 1.00 21.24 H new ATOM 1039 N LYS A 66 8.460 -13.760 29.338 1.00 45.41 N ATOM 1040 CA LYS A 66 7.476 -14.631 29.969 1.00 41.22 C ATOM 1041 C LYS A 66 7.124 -15.803 29.058 1.00 0.13 C ATOM 1042 O LYS A 66 7.396 -16.958 29.385 1.00 62.54 O ATOM 1043 CB LYS A 66 6.211 -13.841 30.313 1.00 45.31 C ATOM 1044 CG LYS A 66 4.974 -14.709 30.465 1.00 44.33 C ATOM 1045 CD LYS A 66 5.195 -15.823 31.474 1.00 3.32 C ATOM 1046 CE LYS A 66 4.899 -17.188 30.872 1.00 50.41 C ATOM 1047 NZ LYS A 66 3.451 -17.526 30.951 1.00 71.04 N ATOM 0 H LYS A 66 8.175 -12.783 29.269 1.00 45.41 H new ATOM 0 HA LYS A 66 7.912 -15.025 30.887 1.00 41.22 H new ATOM 0 HB2 LYS A 66 6.376 -13.293 31.241 1.00 45.31 H new ATOM 0 HB3 LYS A 66 6.032 -13.101 29.533 1.00 45.31 H new ATOM 0 HG2 LYS A 66 4.132 -14.092 30.781 1.00 44.33 H new ATOM 0 HG3 LYS A 66 4.709 -15.139 29.499 1.00 44.33 H new ATOM 0 HD2 LYS A 66 6.226 -15.796 31.827 1.00 3.32 H new ATOM 0 HD3 LYS A 66 4.556 -15.661 32.342 1.00 3.32 H new ATOM 0 HE2 LYS A 66 5.219 -17.203 29.830 1.00 50.41 H new ATOM 0 HE3 LYS A 66 5.479 -17.949 31.394 1.00 50.41 H new ATOM 0 HZ1 LYS A 66 3.326 -18.386 31.522 1.00 71.04 H new ATOM 0 HZ2 LYS A 66 2.934 -16.739 31.393 1.00 71.04 H new ATOM 0 HZ3 LYS A 66 3.080 -17.689 29.993 1.00 71.04 H new ATOM 1061 N TYR A 67 6.519 -15.497 27.916 1.00 62.42 N ATOM 1062 CA TYR A 67 6.129 -16.526 26.959 1.00 43.03 C ATOM 1063 C TYR A 67 6.931 -16.400 25.667 1.00 25.30 C ATOM 1064 O TYR A 67 7.343 -17.399 25.079 1.00 62.33 O ATOM 1065 CB TYR A 67 4.633 -16.429 26.655 1.00 44.44 C ATOM 1066 CG TYR A 67 3.932 -17.768 26.631 1.00 51.22 C ATOM 1067 CD1 TYR A 67 4.448 -18.831 25.901 1.00 62.43 C ATOM 1068 CD2 TYR A 67 2.753 -17.969 27.337 1.00 33.43 C ATOM 1069 CE1 TYR A 67 3.810 -20.057 25.875 1.00 5.33 C ATOM 1070 CE2 TYR A 67 2.109 -19.192 27.319 1.00 41.42 C ATOM 1071 CZ TYR A 67 2.642 -20.232 26.586 1.00 14.14 C ATOM 1072 OH TYR A 67 2.003 -21.450 26.564 1.00 33.53 O ATOM 0 H TYR A 67 6.288 -14.545 27.630 1.00 62.42 H new ATOM 0 HA TYR A 67 6.340 -17.499 27.404 1.00 43.03 H new ATOM 0 HB2 TYR A 67 4.159 -15.794 27.403 1.00 44.44 H new ATOM 0 HB3 TYR A 67 4.498 -15.940 25.690 1.00 44.44 H new ATOM 0 HD1 TYR A 67 5.364 -18.697 25.344 1.00 62.43 H new ATOM 0 HD2 TYR A 67 2.332 -17.156 27.910 1.00 33.43 H new ATOM 0 HE1 TYR A 67 4.224 -20.873 25.301 1.00 5.33 H new ATOM 0 HE2 TYR A 67 1.194 -19.332 27.875 1.00 41.42 H new ATOM 0 HH TYR A 67 1.195 -21.406 27.117 1.00 33.53 H new ATOM 1082 N GLY A 68 7.150 -15.163 25.232 1.00 61.13 N ATOM 1083 CA GLY A 68 7.902 -14.928 24.013 1.00 4.52 C ATOM 1084 C GLY A 68 7.691 -13.531 23.462 1.00 72.41 C ATOM 1085 O GLY A 68 6.605 -12.967 23.586 1.00 13.22 O ATOM 0 H GLY A 68 6.820 -14.320 25.702 1.00 61.13 H new ATOM 0 HA2 GLY A 68 8.963 -15.082 24.209 1.00 4.52 H new ATOM 0 HA3 GLY A 68 7.608 -15.660 23.261 1.00 4.52 H new ATOM 1089 N GLU A 69 8.732 -12.973 22.853 1.00 62.23 N ATOM 1090 CA GLU A 69 8.655 -11.633 22.283 1.00 30.11 C ATOM 1091 C GLU A 69 7.690 -11.599 21.101 1.00 24.11 C ATOM 1092 O GLU A 69 7.142 -10.550 20.763 1.00 75.35 O ATOM 1093 CB GLU A 69 10.041 -11.163 21.838 1.00 64.42 C ATOM 1094 CG GLU A 69 10.624 -11.981 20.697 1.00 31.33 C ATOM 1095 CD GLU A 69 11.828 -11.317 20.059 1.00 61.03 C ATOM 1096 OE1 GLU A 69 11.738 -10.117 19.727 1.00 52.24 O ATOM 1097 OE2 GLU A 69 12.861 -11.998 19.892 1.00 65.34 O ATOM 0 H GLU A 69 9.638 -13.428 22.742 1.00 62.23 H new ATOM 0 HA GLU A 69 8.282 -10.959 23.054 1.00 30.11 H new ATOM 0 HB2 GLU A 69 9.980 -10.119 21.531 1.00 64.42 H new ATOM 0 HB3 GLU A 69 10.721 -11.206 22.689 1.00 64.42 H new ATOM 0 HG2 GLU A 69 10.911 -12.964 21.070 1.00 31.33 H new ATOM 0 HG3 GLU A 69 9.857 -12.139 19.939 1.00 31.33 H new ATOM 1104 N LYS A 70 7.489 -12.754 20.476 1.00 31.22 N ATOM 1105 CA LYS A 70 6.591 -12.859 19.332 1.00 31.43 C ATOM 1106 C LYS A 70 5.149 -12.581 19.745 1.00 2.50 C ATOM 1107 O LYS A 70 4.646 -11.472 19.565 1.00 44.01 O ATOM 1108 CB LYS A 70 6.693 -14.251 18.704 1.00 34.22 C ATOM 1109 CG LYS A 70 7.383 -14.259 17.351 1.00 2.14 C ATOM 1110 CD LYS A 70 8.831 -13.810 17.462 1.00 73.03 C ATOM 1111 CE LYS A 70 9.107 -12.598 16.585 1.00 72.44 C ATOM 1112 NZ LYS A 70 9.479 -12.991 15.197 1.00 22.33 N ATOM 0 H LYS A 70 7.936 -13.631 20.743 1.00 31.22 H new ATOM 0 HA LYS A 70 6.891 -12.112 18.597 1.00 31.43 H new ATOM 0 HB2 LYS A 70 7.236 -14.908 19.383 1.00 34.22 H new ATOM 0 HB3 LYS A 70 5.691 -14.665 18.594 1.00 34.22 H new ATOM 0 HG2 LYS A 70 7.344 -15.262 16.927 1.00 2.14 H new ATOM 0 HG3 LYS A 70 6.849 -13.602 16.665 1.00 2.14 H new ATOM 0 HD2 LYS A 70 9.060 -13.569 18.500 1.00 73.03 H new ATOM 0 HD3 LYS A 70 9.490 -14.628 17.172 1.00 73.03 H new ATOM 0 HE2 LYS A 70 8.223 -11.961 16.558 1.00 72.44 H new ATOM 0 HE3 LYS A 70 9.912 -12.008 17.024 1.00 72.44 H new ATOM 0 HZ1 LYS A 70 9.659 -12.137 14.631 1.00 22.33 H new ATOM 0 HZ2 LYS A 70 10.337 -13.578 15.221 1.00 22.33 H new ATOM 0 HZ3 LYS A 70 8.701 -13.532 14.769 1.00 22.33 H new ATOM 1126 N GLU A 71 4.491 -13.593 20.300 1.00 32.24 N ATOM 1127 CA GLU A 71 3.107 -13.455 20.739 1.00 50.11 C ATOM 1128 C GLU A 71 2.940 -12.231 21.635 1.00 52.13 C ATOM 1129 O GLU A 71 1.864 -11.637 21.697 1.00 10.24 O ATOM 1130 CB GLU A 71 2.657 -14.712 21.486 1.00 63.42 C ATOM 1131 CG GLU A 71 1.154 -14.794 21.690 1.00 31.11 C ATOM 1132 CD GLU A 71 0.607 -16.188 21.451 1.00 65.14 C ATOM 1133 OE1 GLU A 71 1.064 -16.849 20.494 1.00 14.41 O ATOM 1134 OE2 GLU A 71 -0.277 -16.618 22.221 1.00 63.43 O ATOM 0 H GLU A 71 4.893 -14.517 20.456 1.00 32.24 H new ATOM 0 HA GLU A 71 2.484 -13.325 19.854 1.00 50.11 H new ATOM 0 HB2 GLU A 71 2.989 -15.591 20.933 1.00 63.42 H new ATOM 0 HB3 GLU A 71 3.149 -14.742 22.458 1.00 63.42 H new ATOM 0 HG2 GLU A 71 0.912 -14.482 22.706 1.00 31.11 H new ATOM 0 HG3 GLU A 71 0.661 -14.094 21.015 1.00 31.11 H new ATOM 1141 N ALA A 72 4.012 -11.861 22.327 1.00 43.43 N ATOM 1142 CA ALA A 72 3.986 -10.707 23.218 1.00 73.42 C ATOM 1143 C ALA A 72 3.388 -9.489 22.522 1.00 74.51 C ATOM 1144 O ALA A 72 2.335 -8.990 22.919 1.00 53.04 O ATOM 1145 CB ALA A 72 5.388 -10.395 23.719 1.00 30.42 C ATOM 0 H ALA A 72 4.910 -12.344 22.288 1.00 43.43 H new ATOM 0 HA ALA A 72 3.353 -10.952 24.071 1.00 73.42 H new ATOM 0 HB1 ALA A 72 5.353 -9.531 24.383 1.00 30.42 H new ATOM 0 HB2 ALA A 72 5.780 -11.255 24.262 1.00 30.42 H new ATOM 0 HB3 ALA A 72 6.037 -10.175 22.871 1.00 30.42 H new ATOM 1151 N VAL A 73 4.066 -9.015 21.482 1.00 62.11 N ATOM 1152 CA VAL A 73 3.601 -7.855 20.730 1.00 24.53 C ATOM 1153 C VAL A 73 2.188 -8.074 20.202 1.00 41.51 C ATOM 1154 O VAL A 73 1.353 -7.170 20.240 1.00 75.11 O ATOM 1155 CB VAL A 73 4.537 -7.541 19.548 1.00 60.22 C ATOM 1156 CG1 VAL A 73 3.825 -6.677 18.519 1.00 41.44 C ATOM 1157 CG2 VAL A 73 5.807 -6.863 20.039 1.00 12.04 C ATOM 0 H VAL A 73 4.939 -9.416 21.141 1.00 62.11 H new ATOM 0 HA VAL A 73 3.602 -7.010 21.418 1.00 24.53 H new ATOM 0 HB VAL A 73 4.816 -8.479 19.069 1.00 60.22 H new ATOM 0 HG11 VAL A 73 4.502 -6.465 17.691 1.00 41.44 H new ATOM 0 HG12 VAL A 73 2.948 -7.205 18.145 1.00 41.44 H new ATOM 0 HG13 VAL A 73 3.514 -5.741 18.982 1.00 41.44 H new ATOM 0 HG21 VAL A 73 6.456 -6.649 19.190 1.00 12.04 H new ATOM 0 HG22 VAL A 73 5.550 -5.932 20.544 1.00 12.04 H new ATOM 0 HG23 VAL A 73 6.326 -7.522 20.735 1.00 12.04 H new ATOM 1167 N LYS A 74 1.926 -9.279 19.709 1.00 62.31 N ATOM 1168 CA LYS A 74 0.613 -9.619 19.174 1.00 42.14 C ATOM 1169 C LYS A 74 -0.462 -9.494 20.249 1.00 43.54 C ATOM 1170 O LYS A 74 -1.574 -9.041 19.978 1.00 34.43 O ATOM 1171 CB LYS A 74 0.622 -11.042 18.610 1.00 50.43 C ATOM 1172 CG LYS A 74 1.117 -11.125 17.176 1.00 13.50 C ATOM 1173 CD LYS A 74 1.940 -12.380 16.942 1.00 4.21 C ATOM 1174 CE LYS A 74 1.065 -13.550 16.519 1.00 44.33 C ATOM 1175 NZ LYS A 74 1.778 -14.851 16.650 1.00 55.12 N ATOM 0 H LYS A 74 2.606 -10.038 19.669 1.00 62.31 H new ATOM 0 HA LYS A 74 0.383 -8.918 18.372 1.00 42.14 H new ATOM 0 HB2 LYS A 74 1.252 -11.670 19.240 1.00 50.43 H new ATOM 0 HB3 LYS A 74 -0.387 -11.451 18.661 1.00 50.43 H new ATOM 0 HG2 LYS A 74 0.266 -11.115 16.495 1.00 13.50 H new ATOM 0 HG3 LYS A 74 1.719 -10.246 16.947 1.00 13.50 H new ATOM 0 HD2 LYS A 74 2.688 -12.187 16.173 1.00 4.21 H new ATOM 0 HD3 LYS A 74 2.479 -12.638 17.854 1.00 4.21 H new ATOM 0 HE2 LYS A 74 0.162 -13.568 17.129 1.00 44.33 H new ATOM 0 HE3 LYS A 74 0.748 -13.412 15.485 1.00 44.33 H new ATOM 0 HZ1 LYS A 74 1.148 -15.623 16.352 1.00 55.12 H new ATOM 0 HZ2 LYS A 74 2.626 -14.844 16.048 1.00 55.12 H new ATOM 0 HZ3 LYS A 74 2.058 -14.995 17.641 1.00 55.12 H new ATOM 1189 N VAL A 75 -0.121 -9.895 21.469 1.00 34.51 N ATOM 1190 CA VAL A 75 -1.057 -9.825 22.585 1.00 24.55 C ATOM 1191 C VAL A 75 -1.476 -8.386 22.862 1.00 70.04 C ATOM 1192 O VAL A 75 -2.538 -8.136 23.432 1.00 50.20 O ATOM 1193 CB VAL A 75 -0.447 -10.426 23.866 1.00 15.14 C ATOM 1194 CG1 VAL A 75 -1.345 -10.153 25.064 1.00 74.15 C ATOM 1195 CG2 VAL A 75 -0.213 -11.919 23.695 1.00 65.00 C ATOM 0 H VAL A 75 0.796 -10.272 21.710 1.00 34.51 H new ATOM 0 HA VAL A 75 -1.934 -10.407 22.300 1.00 24.55 H new ATOM 0 HB VAL A 75 0.516 -9.949 24.047 1.00 15.14 H new ATOM 0 HG11 VAL A 75 -0.898 -10.585 25.960 1.00 74.15 H new ATOM 0 HG12 VAL A 75 -1.457 -9.077 25.197 1.00 74.15 H new ATOM 0 HG13 VAL A 75 -2.324 -10.601 24.895 1.00 74.15 H new ATOM 0 HG21 VAL A 75 0.218 -12.327 24.609 1.00 65.00 H new ATOM 0 HG22 VAL A 75 -1.162 -12.415 23.489 1.00 65.00 H new ATOM 0 HG23 VAL A 75 0.472 -12.087 22.864 1.00 65.00 H new ATOM 1205 N VAL A 76 -0.635 -7.441 22.453 1.00 62.53 N ATOM 1206 CA VAL A 76 -0.919 -6.026 22.654 1.00 5.43 C ATOM 1207 C VAL A 76 -1.897 -5.506 21.606 1.00 24.54 C ATOM 1208 O VAL A 76 -2.907 -4.886 21.938 1.00 14.42 O ATOM 1209 CB VAL A 76 0.369 -5.182 22.601 1.00 21.14 C ATOM 1210 CG1 VAL A 76 0.098 -3.834 21.952 1.00 40.33 C ATOM 1211 CG2 VAL A 76 0.947 -5.004 23.997 1.00 33.14 C ATOM 0 H VAL A 76 0.249 -7.631 21.980 1.00 62.53 H new ATOM 0 HA VAL A 76 -1.367 -5.931 23.643 1.00 5.43 H new ATOM 0 HB VAL A 76 1.104 -5.710 21.993 1.00 21.14 H new ATOM 0 HG11 VAL A 76 1.019 -3.252 21.924 1.00 40.33 H new ATOM 0 HG12 VAL A 76 -0.267 -3.986 20.936 1.00 40.33 H new ATOM 0 HG13 VAL A 76 -0.653 -3.296 22.530 1.00 40.33 H new ATOM 0 HG21 VAL A 76 1.856 -4.406 23.941 1.00 33.14 H new ATOM 0 HG22 VAL A 76 0.218 -4.498 24.631 1.00 33.14 H new ATOM 0 HG23 VAL A 76 1.181 -5.980 24.421 1.00 33.14 H new ATOM 1221 N LEU A 77 -1.590 -5.765 20.340 1.00 51.20 N ATOM 1222 CA LEU A 77 -2.443 -5.324 19.241 1.00 23.13 C ATOM 1223 C LEU A 77 -3.752 -6.106 19.221 1.00 14.31 C ATOM 1224 O LEU A 77 -4.836 -5.522 19.183 1.00 61.31 O ATOM 1225 CB LEU A 77 -1.715 -5.492 17.906 1.00 10.42 C ATOM 1226 CG LEU A 77 -1.093 -6.865 17.648 1.00 13.52 C ATOM 1227 CD1 LEU A 77 -1.975 -7.683 16.718 1.00 63.32 C ATOM 1228 CD2 LEU A 77 0.305 -6.716 17.067 1.00 23.13 C ATOM 0 H LEU A 77 -0.758 -6.278 20.049 1.00 51.20 H new ATOM 0 HA LEU A 77 -2.673 -4.269 19.392 1.00 23.13 H new ATOM 0 HB2 LEU A 77 -2.419 -5.277 17.102 1.00 10.42 H new ATOM 0 HB3 LEU A 77 -0.927 -4.742 17.848 1.00 10.42 H new ATOM 0 HG LEU A 77 -1.015 -7.393 18.599 1.00 13.52 H new ATOM 0 HD11 LEU A 77 -1.517 -8.657 16.545 1.00 63.32 H new ATOM 0 HD12 LEU A 77 -2.956 -7.819 17.173 1.00 63.32 H new ATOM 0 HD13 LEU A 77 -2.085 -7.160 15.768 1.00 63.32 H new ATOM 0 HD21 LEU A 77 0.732 -7.703 16.890 1.00 23.13 H new ATOM 0 HD22 LEU A 77 0.251 -6.169 16.126 1.00 23.13 H new ATOM 0 HD23 LEU A 77 0.934 -6.169 17.769 1.00 23.13 H new ATOM 1240 N LYS A 78 -3.646 -7.430 19.249 1.00 3.20 N ATOM 1241 CA LYS A 78 -4.821 -8.293 19.238 1.00 63.14 C ATOM 1242 C LYS A 78 -5.852 -7.821 20.257 1.00 33.33 C ATOM 1243 O LYS A 78 -7.043 -7.738 19.958 1.00 64.34 O ATOM 1244 CB LYS A 78 -4.419 -9.740 19.534 1.00 11.34 C ATOM 1245 CG LYS A 78 -5.379 -10.767 18.961 1.00 73.31 C ATOM 1246 CD LYS A 78 -6.578 -10.980 19.871 1.00 45.22 C ATOM 1247 CE LYS A 78 -6.197 -11.757 21.121 1.00 23.24 C ATOM 1248 NZ LYS A 78 -6.318 -13.228 20.919 1.00 42.50 N ATOM 0 H LYS A 78 -2.757 -7.929 19.280 1.00 3.20 H new ATOM 0 HA LYS A 78 -5.269 -8.243 18.246 1.00 63.14 H new ATOM 0 HB2 LYS A 78 -3.423 -9.921 19.130 1.00 11.34 H new ATOM 0 HB3 LYS A 78 -4.355 -9.877 20.613 1.00 11.34 H new ATOM 0 HG2 LYS A 78 -5.720 -10.439 17.979 1.00 73.31 H new ATOM 0 HG3 LYS A 78 -4.858 -11.713 18.818 1.00 73.31 H new ATOM 0 HD2 LYS A 78 -6.997 -10.015 20.155 1.00 45.22 H new ATOM 0 HD3 LYS A 78 -7.356 -11.518 19.330 1.00 45.22 H new ATOM 0 HE2 LYS A 78 -5.173 -11.512 21.403 1.00 23.24 H new ATOM 0 HE3 LYS A 78 -6.837 -11.450 21.948 1.00 23.24 H new ATOM 0 HZ1 LYS A 78 -6.049 -13.722 21.794 1.00 42.50 H new ATOM 0 HZ2 LYS A 78 -7.301 -13.465 20.675 1.00 42.50 H new ATOM 0 HZ3 LYS A 78 -5.688 -13.525 20.147 1.00 42.50 H new ATOM 1262 N GLY A 79 -5.387 -7.512 21.464 1.00 41.22 N ATOM 1263 CA GLY A 79 -6.283 -7.051 22.509 1.00 45.24 C ATOM 1264 C GLY A 79 -6.610 -5.576 22.382 1.00 35.32 C ATOM 1265 O GLY A 79 -7.636 -5.115 22.885 1.00 74.55 O ATOM 0 H GLY A 79 -4.406 -7.573 21.737 1.00 41.22 H new ATOM 0 HA2 GLY A 79 -7.206 -7.629 22.473 1.00 45.24 H new ATOM 0 HA3 GLY A 79 -5.828 -7.237 23.482 1.00 45.24 H new ATOM 1269 N LEU A 80 -5.737 -4.833 21.711 1.00 34.32 N ATOM 1270 CA LEU A 80 -5.938 -3.401 21.521 1.00 13.24 C ATOM 1271 C LEU A 80 -7.028 -3.136 20.488 1.00 74.01 C ATOM 1272 O LEU A 80 -7.725 -2.123 20.550 1.00 35.12 O ATOM 1273 CB LEU A 80 -4.632 -2.736 21.083 1.00 20.33 C ATOM 1274 CG LEU A 80 -3.765 -2.158 22.202 1.00 21.12 C ATOM 1275 CD1 LEU A 80 -2.474 -1.586 21.636 1.00 34.21 C ATOM 1276 CD2 LEU A 80 -4.530 -1.092 22.973 1.00 61.00 C ATOM 0 H LEU A 80 -4.883 -5.198 21.289 1.00 34.32 H new ATOM 0 HA LEU A 80 -6.254 -2.975 22.473 1.00 13.24 H new ATOM 0 HB2 LEU A 80 -4.041 -3.469 20.534 1.00 20.33 H new ATOM 0 HB3 LEU A 80 -4.872 -1.934 20.385 1.00 20.33 H new ATOM 0 HG LEU A 80 -3.510 -2.963 22.891 1.00 21.12 H new ATOM 0 HD11 LEU A 80 -1.870 -1.179 22.447 1.00 34.21 H new ATOM 0 HD12 LEU A 80 -1.918 -2.375 21.130 1.00 34.21 H new ATOM 0 HD13 LEU A 80 -2.708 -0.793 20.925 1.00 34.21 H new ATOM 0 HD21 LEU A 80 -3.898 -0.692 23.765 1.00 61.00 H new ATOM 0 HD22 LEU A 80 -4.816 -0.287 22.295 1.00 61.00 H new ATOM 0 HD23 LEU A 80 -5.426 -1.532 23.411 1.00 61.00 H new ATOM 1288 N LYS A 81 -7.172 -4.054 19.538 1.00 21.45 N ATOM 1289 CA LYS A 81 -8.179 -3.923 18.493 1.00 73.34 C ATOM 1290 C LYS A 81 -9.563 -3.703 19.095 1.00 74.42 C ATOM 1291 O LYS A 81 -10.217 -2.696 18.823 1.00 3.11 O ATOM 1292 CB LYS A 81 -8.189 -5.171 17.606 1.00 15.05 C ATOM 1293 CG LYS A 81 -7.160 -5.132 16.490 1.00 34.50 C ATOM 1294 CD LYS A 81 -7.638 -4.288 15.321 1.00 43.15 C ATOM 1295 CE LYS A 81 -7.576 -5.062 14.013 1.00 54.45 C ATOM 1296 NZ LYS A 81 -7.067 -4.221 12.894 1.00 3.21 N ATOM 0 H LYS A 81 -6.603 -4.898 19.471 1.00 21.45 H new ATOM 0 HA LYS A 81 -7.925 -3.055 17.885 1.00 73.34 H new ATOM 0 HB2 LYS A 81 -8.007 -6.049 18.226 1.00 15.05 H new ATOM 0 HB3 LYS A 81 -9.181 -5.289 17.170 1.00 15.05 H new ATOM 0 HG2 LYS A 81 -6.222 -4.728 16.872 1.00 34.50 H new ATOM 0 HG3 LYS A 81 -6.954 -6.146 16.148 1.00 34.50 H new ATOM 0 HD2 LYS A 81 -8.661 -3.959 15.502 1.00 43.15 H new ATOM 0 HD3 LYS A 81 -7.024 -3.391 15.244 1.00 43.15 H new ATOM 0 HE2 LYS A 81 -6.931 -5.932 14.136 1.00 54.45 H new ATOM 0 HE3 LYS A 81 -8.570 -5.435 13.764 1.00 54.45 H new ATOM 0 HZ1 LYS A 81 -7.040 -4.785 12.021 1.00 3.21 H new ATOM 0 HZ2 LYS A 81 -7.697 -3.404 12.759 1.00 3.21 H new ATOM 0 HZ3 LYS A 81 -6.109 -3.886 13.120 1.00 3.21 H new ATOM 1310 N VAL A 82 -10.004 -4.652 19.915 1.00 14.22 N ATOM 1311 CA VAL A 82 -11.310 -4.560 20.558 1.00 22.11 C ATOM 1312 C VAL A 82 -11.420 -3.294 21.400 1.00 53.45 C ATOM 1313 O VAL A 82 -12.494 -2.962 21.902 1.00 44.33 O ATOM 1314 CB VAL A 82 -11.582 -5.783 21.454 1.00 64.54 C ATOM 1315 CG1 VAL A 82 -11.175 -5.495 22.890 1.00 4.35 C ATOM 1316 CG2 VAL A 82 -13.047 -6.185 21.376 1.00 1.23 C ATOM 0 H VAL A 82 -9.476 -5.493 20.150 1.00 14.22 H new ATOM 0 HA VAL A 82 -12.053 -4.529 19.761 1.00 22.11 H new ATOM 0 HB VAL A 82 -10.980 -6.617 21.093 1.00 64.54 H new ATOM 0 HG11 VAL A 82 -11.375 -6.371 23.507 1.00 4.35 H new ATOM 0 HG12 VAL A 82 -10.111 -5.260 22.927 1.00 4.35 H new ATOM 0 HG13 VAL A 82 -11.747 -4.647 23.267 1.00 4.35 H new ATOM 0 HG21 VAL A 82 -13.221 -7.051 22.015 1.00 1.23 H new ATOM 0 HG22 VAL A 82 -13.670 -5.356 21.710 1.00 1.23 H new ATOM 0 HG23 VAL A 82 -13.301 -6.437 20.346 1.00 1.23 H new ATOM 1326 N MET A 83 -10.303 -2.590 21.549 1.00 40.43 N ATOM 1327 CA MET A 83 -10.275 -1.358 22.328 1.00 1.44 C ATOM 1328 C MET A 83 -10.368 -0.136 21.419 1.00 33.51 C ATOM 1329 O MET A 83 -10.609 0.977 21.883 1.00 42.21 O ATOM 1330 CB MET A 83 -8.996 -1.288 23.166 1.00 54.22 C ATOM 1331 CG MET A 83 -8.990 -0.149 24.172 1.00 15.51 C ATOM 1332 SD MET A 83 -10.283 -0.316 25.418 1.00 0.32 S ATOM 1333 CE MET A 83 -9.334 -0.101 26.922 1.00 44.43 C ATOM 0 H MET A 83 -9.406 -2.852 21.141 1.00 40.43 H new ATOM 0 HA MET A 83 -11.138 -1.360 22.994 1.00 1.44 H new ATOM 0 HB2 MET A 83 -8.867 -2.231 23.697 1.00 54.22 H new ATOM 0 HB3 MET A 83 -8.140 -1.178 22.500 1.00 54.22 H new ATOM 0 HG2 MET A 83 -8.019 -0.110 24.665 1.00 15.51 H new ATOM 0 HG3 MET A 83 -9.118 0.797 23.645 1.00 15.51 H new ATOM 0 HE1 MET A 83 -9.575 -0.901 27.622 1.00 44.43 H new ATOM 0 HE2 MET A 83 -8.270 -0.132 26.688 1.00 44.43 H new ATOM 0 HE3 MET A 83 -9.579 0.861 27.372 1.00 44.43 H new ATOM 1343 N ASN A 84 -10.176 -0.354 20.122 1.00 11.00 N ATOM 1344 CA ASN A 84 -10.238 0.730 19.148 1.00 60.31 C ATOM 1345 C ASN A 84 -8.986 1.598 19.220 1.00 3.22 C ATOM 1346 O ASN A 84 -9.039 2.805 18.982 1.00 55.54 O ATOM 1347 CB ASN A 84 -11.482 1.588 19.387 1.00 21.10 C ATOM 1348 CG ASN A 84 -12.293 1.796 18.122 1.00 24.24 C ATOM 1349 OD1 ASN A 84 -12.335 0.929 17.250 1.00 73.35 O ATOM 1350 ND2 ASN A 84 -12.941 2.950 18.018 1.00 4.34 N ATOM 0 H ASN A 84 -9.976 -1.271 19.721 1.00 11.00 H new ATOM 0 HA ASN A 84 -10.295 0.288 18.153 1.00 60.31 H new ATOM 0 HB2 ASN A 84 -12.108 1.113 20.143 1.00 21.10 H new ATOM 0 HB3 ASN A 84 -11.181 2.557 19.786 1.00 21.10 H new ATOM 0 HD21 ASN A 84 -13.503 3.147 17.190 1.00 4.34 H new ATOM 0 HD22 ASN A 84 -12.877 3.640 18.767 1.00 4.34 H new ATOM 1357 N LEU A 85 -7.859 0.976 19.550 1.00 14.11 N ATOM 1358 CA LEU A 85 -6.592 1.691 19.653 1.00 12.42 C ATOM 1359 C LEU A 85 -5.828 1.638 18.334 1.00 1.33 C ATOM 1360 O LEU A 85 -4.597 1.686 18.315 1.00 12.40 O ATOM 1361 CB LEU A 85 -5.738 1.097 20.775 1.00 53.32 C ATOM 1362 CG LEU A 85 -5.625 1.936 22.048 1.00 32.14 C ATOM 1363 CD1 LEU A 85 -5.387 3.398 21.705 1.00 3.13 C ATOM 1364 CD2 LEU A 85 -6.877 1.783 22.900 1.00 1.33 C ATOM 0 H LEU A 85 -7.797 -0.022 19.751 1.00 14.11 H new ATOM 0 HA LEU A 85 -6.809 2.734 19.884 1.00 12.42 H new ATOM 0 HB2 LEU A 85 -6.149 0.123 21.041 1.00 53.32 H new ATOM 0 HB3 LEU A 85 -4.734 0.924 20.388 1.00 53.32 H new ATOM 0 HG LEU A 85 -4.772 1.576 22.623 1.00 32.14 H new ATOM 0 HD11 LEU A 85 -5.309 3.979 22.624 1.00 3.13 H new ATOM 0 HD12 LEU A 85 -4.462 3.492 21.137 1.00 3.13 H new ATOM 0 HD13 LEU A 85 -6.219 3.772 21.108 1.00 3.13 H new ATOM 0 HD21 LEU A 85 -6.779 2.387 23.802 1.00 1.33 H new ATOM 0 HD22 LEU A 85 -7.746 2.116 22.333 1.00 1.33 H new ATOM 0 HD23 LEU A 85 -7.003 0.736 23.176 1.00 1.33 H new ATOM 1376 N LEU A 86 -6.565 1.541 17.233 1.00 22.02 N ATOM 1377 CA LEU A 86 -5.957 1.484 15.908 1.00 22.13 C ATOM 1378 C LEU A 86 -5.177 2.761 15.611 1.00 33.14 C ATOM 1379 O LEU A 86 -4.419 2.825 14.645 1.00 43.22 O ATOM 1380 CB LEU A 86 -7.032 1.269 14.841 1.00 4.03 C ATOM 1381 CG LEU A 86 -7.938 2.466 14.551 1.00 61.10 C ATOM 1382 CD1 LEU A 86 -7.622 3.056 13.185 1.00 31.23 C ATOM 1383 CD2 LEU A 86 -9.402 2.058 14.632 1.00 2.43 C ATOM 0 H LEU A 86 -7.584 1.500 17.231 1.00 22.02 H new ATOM 0 HA LEU A 86 -5.263 0.644 15.890 1.00 22.13 H new ATOM 0 HB2 LEU A 86 -6.541 0.977 13.913 1.00 4.03 H new ATOM 0 HB3 LEU A 86 -7.658 0.431 15.148 1.00 4.03 H new ATOM 0 HG LEU A 86 -7.752 3.230 15.306 1.00 61.10 H new ATOM 0 HD11 LEU A 86 -8.277 3.907 12.996 1.00 31.23 H new ATOM 0 HD12 LEU A 86 -6.583 3.385 13.162 1.00 31.23 H new ATOM 0 HD13 LEU A 86 -7.779 2.299 12.417 1.00 31.23 H new ATOM 0 HD21 LEU A 86 -10.033 2.922 14.423 1.00 2.43 H new ATOM 0 HD22 LEU A 86 -9.603 1.276 13.899 1.00 2.43 H new ATOM 0 HD23 LEU A 86 -9.620 1.683 15.632 1.00 2.43 H new ATOM 1395 N GLU A 87 -5.369 3.774 16.451 1.00 61.13 N ATOM 1396 CA GLU A 87 -4.682 5.049 16.278 1.00 72.41 C ATOM 1397 C GLU A 87 -3.177 4.841 16.133 1.00 34.44 C ATOM 1398 O GLU A 87 -2.627 4.944 15.036 1.00 13.42 O ATOM 1399 CB GLU A 87 -4.969 5.972 17.463 1.00 1.55 C ATOM 1400 CG GLU A 87 -4.326 7.343 17.336 1.00 5.15 C ATOM 1401 CD GLU A 87 -5.006 8.213 16.298 1.00 15.30 C ATOM 1402 OE1 GLU A 87 -6.181 8.582 16.511 1.00 23.34 O ATOM 1403 OE2 GLU A 87 -4.366 8.526 15.273 1.00 72.44 O ATOM 0 H GLU A 87 -5.993 3.737 17.257 1.00 61.13 H new ATOM 0 HA GLU A 87 -5.056 5.514 15.366 1.00 72.41 H new ATOM 0 HB2 GLU A 87 -6.047 6.094 17.565 1.00 1.55 H new ATOM 0 HB3 GLU A 87 -4.614 5.497 18.377 1.00 1.55 H new ATOM 0 HG2 GLU A 87 -4.357 7.846 18.303 1.00 5.15 H new ATOM 0 HG3 GLU A 87 -3.275 7.224 17.073 1.00 5.15 H new ATOM 1410 N LEU A 88 -2.517 4.547 17.248 1.00 11.21 N ATOM 1411 CA LEU A 88 -1.075 4.325 17.247 1.00 33.13 C ATOM 1412 C LEU A 88 -0.739 2.934 16.720 1.00 32.43 C ATOM 1413 O LEU A 88 0.314 2.724 16.118 1.00 53.02 O ATOM 1414 CB LEU A 88 -0.512 4.498 18.659 1.00 60.10 C ATOM 1415 CG LEU A 88 -1.043 5.693 19.452 1.00 72.51 C ATOM 1416 CD1 LEU A 88 -1.201 6.905 18.548 1.00 11.42 C ATOM 1417 CD2 LEU A 88 -2.367 5.345 20.117 1.00 21.12 C ATOM 0 H LEU A 88 -2.957 4.457 18.164 1.00 11.21 H new ATOM 0 HA LEU A 88 -0.619 5.063 16.587 1.00 33.13 H new ATOM 0 HB2 LEU A 88 -0.720 3.590 19.225 1.00 60.10 H new ATOM 0 HB3 LEU A 88 0.572 4.588 18.588 1.00 60.10 H new ATOM 0 HG LEU A 88 -0.321 5.938 20.231 1.00 72.51 H new ATOM 0 HD11 LEU A 88 -1.580 7.746 19.129 1.00 11.42 H new ATOM 0 HD12 LEU A 88 -0.234 7.167 18.119 1.00 11.42 H new ATOM 0 HD13 LEU A 88 -1.903 6.672 17.747 1.00 11.42 H new ATOM 0 HD21 LEU A 88 -2.730 6.207 20.677 1.00 21.12 H new ATOM 0 HD22 LEU A 88 -3.097 5.074 19.354 1.00 21.12 H new ATOM 0 HD23 LEU A 88 -2.223 4.505 20.797 1.00 21.12 H new ATOM 1429 N VAL A 89 -1.642 1.985 16.950 1.00 51.33 N ATOM 1430 CA VAL A 89 -1.443 0.614 16.495 1.00 13.32 C ATOM 1431 C VAL A 89 -1.237 0.560 14.986 1.00 44.23 C ATOM 1432 O VAL A 89 -0.612 -0.365 14.467 1.00 23.22 O ATOM 1433 CB VAL A 89 -2.639 -0.281 16.871 1.00 53.40 C ATOM 1434 CG1 VAL A 89 -2.779 -1.428 15.882 1.00 20.25 C ATOM 1435 CG2 VAL A 89 -2.487 -0.805 18.291 1.00 44.41 C ATOM 0 H VAL A 89 -2.518 2.141 17.449 1.00 51.33 H new ATOM 0 HA VAL A 89 -0.548 0.242 16.994 1.00 13.32 H new ATOM 0 HB VAL A 89 -3.548 0.319 16.826 1.00 53.40 H new ATOM 0 HG11 VAL A 89 -3.629 -2.050 16.164 1.00 20.25 H new ATOM 0 HG12 VAL A 89 -2.938 -1.028 14.881 1.00 20.25 H new ATOM 0 HG13 VAL A 89 -1.870 -2.030 15.892 1.00 20.25 H new ATOM 0 HG21 VAL A 89 -3.341 -1.435 18.540 1.00 44.41 H new ATOM 0 HG22 VAL A 89 -1.570 -1.390 18.367 1.00 44.41 H new ATOM 0 HG23 VAL A 89 -2.441 0.034 18.985 1.00 44.41 H new ATOM 1445 N ASP A 90 -1.765 1.558 14.286 1.00 41.02 N ATOM 1446 CA ASP A 90 -1.637 1.626 12.835 1.00 73.43 C ATOM 1447 C ASP A 90 -0.224 1.256 12.396 1.00 42.03 C ATOM 1448 O ASP A 90 -0.035 0.370 11.563 1.00 61.02 O ATOM 1449 CB ASP A 90 -1.990 3.028 12.335 1.00 24.31 C ATOM 1450 CG ASP A 90 -2.691 3.004 10.991 1.00 1.23 C ATOM 1451 OD1 ASP A 90 -2.314 2.173 10.139 1.00 24.41 O ATOM 1452 OD2 ASP A 90 -3.618 3.817 10.792 1.00 23.20 O ATOM 0 H ASP A 90 -2.286 2.331 14.700 1.00 41.02 H new ATOM 0 HA ASP A 90 -2.333 0.908 12.400 1.00 73.43 H new ATOM 0 HB2 ASP A 90 -2.630 3.521 13.067 1.00 24.31 H new ATOM 0 HB3 ASP A 90 -1.080 3.622 12.256 1.00 24.31 H new ATOM 1457 N GLN A 91 0.764 1.942 12.961 1.00 23.21 N ATOM 1458 CA GLN A 91 2.160 1.686 12.626 1.00 2.21 C ATOM 1459 C GLN A 91 2.673 0.441 13.343 1.00 52.24 C ATOM 1460 O GLN A 91 3.087 -0.529 12.706 1.00 55.55 O ATOM 1461 CB GLN A 91 3.024 2.893 12.995 1.00 44.33 C ATOM 1462 CG GLN A 91 2.488 4.211 12.460 1.00 1.42 C ATOM 1463 CD GLN A 91 1.963 5.116 13.558 1.00 60.13 C ATOM 1464 OE1 GLN A 91 0.872 4.901 14.086 1.00 12.01 O ATOM 1465 NE2 GLN A 91 2.739 6.135 13.907 1.00 2.12 N ATOM 0 H GLN A 91 0.624 2.679 13.652 1.00 23.21 H new ATOM 0 HA GLN A 91 2.224 1.516 11.551 1.00 2.21 H new ATOM 0 HB2 GLN A 91 3.101 2.956 14.080 1.00 44.33 H new ATOM 0 HB3 GLN A 91 4.033 2.738 12.612 1.00 44.33 H new ATOM 0 HG2 GLN A 91 3.279 4.727 11.916 1.00 1.42 H new ATOM 0 HG3 GLN A 91 1.689 4.011 11.746 1.00 1.42 H new ATOM 0 HE21 GLN A 91 3.636 6.275 13.442 1.00 2.12 H new ATOM 0 HE22 GLN A 91 2.438 6.778 14.640 1.00 2.12 H new ATOM 1474 N LEU A 92 2.643 0.474 14.670 1.00 1.52 N ATOM 1475 CA LEU A 92 3.105 -0.652 15.474 1.00 2.43 C ATOM 1476 C LEU A 92 2.802 -1.976 14.781 1.00 21.23 C ATOM 1477 O LEU A 92 3.677 -2.832 14.646 1.00 52.45 O ATOM 1478 CB LEU A 92 2.446 -0.623 16.855 1.00 44.45 C ATOM 1479 CG LEU A 92 2.651 -1.865 17.722 1.00 5.45 C ATOM 1480 CD1 LEU A 92 1.714 -2.980 17.288 1.00 62.44 C ATOM 1481 CD2 LEU A 92 4.100 -2.327 17.658 1.00 11.23 C ATOM 0 H LEU A 92 2.304 1.268 15.213 1.00 1.52 H new ATOM 0 HA LEU A 92 4.185 -0.564 15.592 1.00 2.43 H new ATOM 0 HB2 LEU A 92 2.826 0.242 17.399 1.00 44.45 H new ATOM 0 HB3 LEU A 92 1.375 -0.470 16.721 1.00 44.45 H new ATOM 0 HG LEU A 92 2.419 -1.606 18.755 1.00 5.45 H new ATOM 0 HD11 LEU A 92 1.875 -3.856 17.917 1.00 62.44 H new ATOM 0 HD12 LEU A 92 0.681 -2.647 17.387 1.00 62.44 H new ATOM 0 HD13 LEU A 92 1.913 -3.239 16.248 1.00 62.44 H new ATOM 0 HD21 LEU A 92 4.228 -3.212 18.281 1.00 11.23 H new ATOM 0 HD22 LEU A 92 4.360 -2.568 16.627 1.00 11.23 H new ATOM 0 HD23 LEU A 92 4.752 -1.532 18.020 1.00 11.23 H new ATOM 1493 N SER A 93 1.558 -2.138 14.343 1.00 53.31 N ATOM 1494 CA SER A 93 1.138 -3.359 13.665 1.00 45.20 C ATOM 1495 C SER A 93 1.919 -3.556 12.369 1.00 52.32 C ATOM 1496 O SER A 93 2.461 -4.632 12.114 1.00 13.22 O ATOM 1497 CB SER A 93 -0.362 -3.313 13.369 1.00 63.34 C ATOM 1498 OG SER A 93 -0.963 -4.578 13.584 1.00 23.43 O ATOM 0 H SER A 93 0.823 -1.439 14.445 1.00 53.31 H new ATOM 0 HA SER A 93 1.344 -4.202 14.325 1.00 45.20 H new ATOM 0 HB2 SER A 93 -0.839 -2.567 14.005 1.00 63.34 H new ATOM 0 HB3 SER A 93 -0.523 -3.001 12.337 1.00 63.34 H new ATOM 0 HG SER A 93 -1.922 -4.522 13.390 1.00 23.43 H new ATOM 1504 N HIS A 94 1.971 -2.508 11.552 1.00 23.21 N ATOM 1505 CA HIS A 94 2.686 -2.564 10.282 1.00 75.55 C ATOM 1506 C HIS A 94 4.193 -2.623 10.508 1.00 62.40 C ATOM 1507 O HIS A 94 4.971 -2.700 9.556 1.00 33.42 O ATOM 1508 CB HIS A 94 2.334 -1.351 9.421 1.00 44.42 C ATOM 1509 CG HIS A 94 2.396 -1.622 7.949 1.00 12.01 C ATOM 1510 ND1 HIS A 94 1.693 -2.641 7.342 1.00 72.02 N ATOM 1511 CD2 HIS A 94 3.081 -0.999 6.962 1.00 71.12 C ATOM 1512 CE1 HIS A 94 1.944 -2.634 6.045 1.00 63.31 C ATOM 1513 NE2 HIS A 94 2.784 -1.647 5.788 1.00 34.23 N ATOM 0 H HIS A 94 1.527 -1.611 11.747 1.00 23.21 H new ATOM 0 HA HIS A 94 2.380 -3.471 9.761 1.00 75.55 H new ATOM 0 HB2 HIS A 94 1.330 -1.013 9.678 1.00 44.42 H new ATOM 0 HB3 HIS A 94 3.016 -0.535 9.661 1.00 44.42 H new ATOM 0 HD2 HIS A 94 3.739 -0.150 7.076 1.00 71.12 H new ATOM 0 HE1 HIS A 94 1.532 -3.319 5.318 1.00 63.31 H new ATOM 0 HE2 HIS A 94 3.152 -1.406 4.868 1.00 34.23 H new ATOM 1521 N ILE A 95 4.598 -2.586 11.773 1.00 65.02 N ATOM 1522 CA ILE A 95 6.013 -2.636 12.123 1.00 15.41 C ATOM 1523 C ILE A 95 6.360 -3.945 12.824 1.00 52.34 C ATOM 1524 O ILE A 95 7.531 -4.308 12.937 1.00 61.43 O ATOM 1525 CB ILE A 95 6.408 -1.458 13.034 1.00 64.32 C ATOM 1526 CG1 ILE A 95 6.100 -0.127 12.346 1.00 44.12 C ATOM 1527 CG2 ILE A 95 7.883 -1.544 13.399 1.00 50.44 C ATOM 1528 CD1 ILE A 95 6.028 1.044 13.301 1.00 52.14 C ATOM 0 H ILE A 95 3.967 -2.522 12.572 1.00 65.02 H new ATOM 0 HA ILE A 95 6.572 -2.568 11.190 1.00 15.41 H new ATOM 0 HB ILE A 95 5.822 -1.514 13.952 1.00 64.32 H new ATOM 0 HG12 ILE A 95 6.867 0.072 11.597 1.00 44.12 H new ATOM 0 HG13 ILE A 95 5.151 -0.212 11.816 1.00 44.12 H new ATOM 0 HG21 ILE A 95 8.148 -0.705 14.043 1.00 50.44 H new ATOM 0 HG22 ILE A 95 8.074 -2.480 13.925 1.00 50.44 H new ATOM 0 HG23 ILE A 95 8.485 -1.509 12.491 1.00 50.44 H new ATOM 0 HD11 ILE A 95 5.806 1.954 12.744 1.00 52.14 H new ATOM 0 HD12 ILE A 95 5.242 0.867 14.035 1.00 52.14 H new ATOM 0 HD13 ILE A 95 6.984 1.155 13.813 1.00 52.14 H new