USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1012 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Set 2.1: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 114 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 81 THR OG1 : rot 159:sc= 1.01 USER MOD Set 3.2: A 93 THR OG1 : rot 77:sc= 0.534 USER MOD Set 4.1: A 19 MET CE :methyl 142:sc= 0 (180deg=-1.95!) USER MOD Set 4.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 34:sc= 0.0831 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -5:sc= 0.149 USER MOD Single : A 8 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.23) USER MOD Single : A 10 GLN : amide:sc= 0.0568 X(o=0.057,f=0) USER MOD Single : A 11 SER OG : rot 31:sc= 0.0915 USER MOD Single : A 12 GLN : amide:sc=-0.00578 K(o=-0.0058,f=-1.1) USER MOD Single : A 14 ASN : amide:sc= 0.495 K(o=0.49,f=-0.57) USER MOD Single : A 20 LYS NZ :NH3+ -146:sc= 0.0625 (180deg=-0.614) USER MOD Single : A 30 GLN : amide:sc= 0.552 K(o=0.55,f=-0.21) USER MOD Single : A 31 LYS NZ :NH3+ 142:sc= -0.0579 (180deg=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 18:sc= 0.0123 USER MOD Single : A 43 GLN : amide:sc= 0.171 X(o=0.17,f=0) USER MOD Single : A 44 ASN : amide:sc=-0.00736 X(o=-0.0074,f=-0.46) USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00323) USER MOD Single : A 47 HIS : no HE2:sc= -0.0701 K(o=-0.07,f=-0.96) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 43:sc= 0.784 USER MOD Single : A 56 SER OG : rot 29:sc= 0.356 USER MOD Single : A 57 LYS NZ :NH3+ -137:sc= -0.207 (180deg=-2.69!) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.791 K(o=-0.79,f=-1.4!) USER MOD Single : A 64 THR OG1 : rot 156:sc= 0.967 USER MOD Single : A 69 CYS SG : rot -120:sc= -0.728 USER MOD Single : A 73 THR OG1 : rot 81:sc= 0.213 USER MOD Single : A 75 THR OG1 : rot -170:sc= 0.00418 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.08) USER MOD Single : A 89 ASN : amide:sc= 0.822 K(o=0.82,f=-0.12) USER MOD Single : A 90 LYS NZ :NH3+ -124:sc= 0.42 (180deg=-0.0173) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 100 SER OG : rot 99:sc= 0.0681 USER MOD Single : A 105 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 110 THR OG1 : rot 132:sc= 0.188 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl -177:sc=-0.00558 (180deg=-0.0353) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 179:sc= 0.357 (180deg=0.356) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 3 5.847 -12.365 -4.459 1.00 51.23 N ATOM 158 CA PHE A 3 5.798 -11.046 -3.817 1.00 34.33 C ATOM 159 C PHE A 3 7.139 -10.639 -3.181 1.00 42.54 C ATOM 160 O PHE A 3 7.433 -9.448 -3.131 1.00 61.34 O ATOM 161 CB PHE A 3 4.667 -10.994 -2.770 1.00 42.50 C ATOM 162 CG PHE A 3 3.267 -10.832 -3.335 1.00 12.51 C ATOM 163 CD1 PHE A 3 2.812 -9.558 -3.743 1.00 54.13 C ATOM 164 CD2 PHE A 3 2.455 -11.959 -3.576 1.00 61.21 C ATOM 165 CE1 PHE A 3 1.547 -9.417 -4.296 1.00 50.13 C ATOM 166 CE2 PHE A 3 1.193 -11.797 -4.133 1.00 20.11 C ATOM 167 CZ PHE A 3 0.738 -10.530 -4.478 1.00 13.10 C ATOM 0 HA PHE A 3 5.592 -10.323 -4.606 1.00 34.33 H new ATOM 0 HB2 PHE A 3 4.699 -11.909 -2.179 1.00 42.50 H new ATOM 0 HB3 PHE A 3 4.864 -10.167 -2.088 1.00 42.50 H new ATOM 0 HD1 PHE A 3 3.449 -8.694 -3.624 1.00 54.13 H new ATOM 0 HD2 PHE A 3 2.814 -12.947 -3.328 1.00 61.21 H new ATOM 0 HE1 PHE A 3 1.191 -8.439 -4.585 1.00 50.13 H new ATOM 0 HE2 PHE A 3 0.563 -12.659 -4.299 1.00 20.11 H new ATOM 0 HZ PHE A 3 -0.253 -10.411 -4.891 1.00 13.10 H new ATOM 177 N SER A 4 7.926 -11.638 -2.744 1.00 10.11 N ATOM 178 CA SER A 4 9.285 -11.505 -2.229 1.00 51.31 C ATOM 179 C SER A 4 10.258 -10.904 -3.265 1.00 52.21 C ATOM 180 O SER A 4 10.535 -11.529 -4.290 1.00 3.23 O ATOM 181 CB SER A 4 9.727 -12.860 -1.637 1.00 73.10 C ATOM 182 OG SER A 4 9.750 -13.898 -2.597 1.00 35.45 O ATOM 0 H SER A 4 7.607 -12.607 -2.744 1.00 10.11 H new ATOM 0 HA SER A 4 9.303 -10.774 -1.421 1.00 51.31 H new ATOM 0 HB2 SER A 4 10.720 -12.754 -1.200 1.00 73.10 H new ATOM 0 HB3 SER A 4 9.051 -13.135 -0.828 1.00 73.10 H new ATOM 0 HG SER A 4 10.017 -13.533 -3.467 1.00 35.45 H new ATOM 188 N GLY A 5 10.730 -9.683 -2.970 1.00 0.50 N ATOM 189 CA GLY A 5 11.608 -8.902 -3.836 1.00 50.05 C ATOM 190 C GLY A 5 11.607 -7.439 -3.365 1.00 70.14 C ATOM 191 O GLY A 5 10.836 -7.055 -2.484 1.00 2.24 O ATOM 0 H GLY A 5 10.502 -9.205 -2.098 1.00 0.50 H new ATOM 0 HA2 GLY A 5 12.620 -9.306 -3.808 1.00 50.05 H new ATOM 0 HA3 GLY A 5 11.269 -8.964 -4.870 1.00 50.05 H new ATOM 195 N LYS A 6 12.474 -6.614 -3.976 1.00 53.11 N ATOM 196 CA LYS A 6 12.551 -5.173 -3.718 1.00 33.32 C ATOM 197 C LYS A 6 12.452 -4.414 -5.046 1.00 2.31 C ATOM 198 O LYS A 6 13.040 -4.845 -6.035 1.00 51.24 O ATOM 199 CB LYS A 6 13.857 -4.828 -2.977 1.00 34.34 C ATOM 200 CG LYS A 6 13.792 -3.451 -2.283 1.00 41.11 C ATOM 201 CD LYS A 6 15.102 -2.661 -2.292 1.00 73.43 C ATOM 202 CE LYS A 6 16.245 -3.314 -1.507 1.00 73.45 C ATOM 203 NZ LYS A 6 17.432 -2.443 -1.502 1.00 41.11 N1+ ATOM 0 H LYS A 6 13.148 -6.937 -4.671 1.00 53.11 H new ATOM 0 HA LYS A 6 11.720 -4.873 -3.079 1.00 33.32 H new ATOM 0 HB2 LYS A 6 14.064 -5.598 -2.233 1.00 34.34 H new ATOM 0 HB3 LYS A 6 14.686 -4.837 -3.684 1.00 34.34 H new ATOM 0 HG2 LYS A 6 13.021 -2.852 -2.768 1.00 41.11 H new ATOM 0 HG3 LYS A 6 13.480 -3.596 -1.249 1.00 41.11 H new ATOM 0 HD2 LYS A 6 15.421 -2.523 -3.325 1.00 73.43 H new ATOM 0 HD3 LYS A 6 14.916 -1.669 -1.880 1.00 73.43 H new ATOM 0 HE2 LYS A 6 15.926 -3.509 -0.483 1.00 73.45 H new ATOM 0 HE3 LYS A 6 16.495 -4.277 -1.952 1.00 73.45 H new ATOM 0 HZ1 LYS A 6 18.196 -2.901 -0.966 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 17.746 -2.278 -2.480 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 17.194 -1.534 -1.057 1.00 41.11 H new ATOM 217 N TYR A 7 11.697 -3.306 -5.030 1.00 32.11 N ATOM 218 CA TYR A 7 11.267 -2.557 -6.207 1.00 30.14 C ATOM 219 C TYR A 7 11.477 -1.056 -5.968 1.00 32.15 C ATOM 220 O TYR A 7 11.186 -0.574 -4.878 1.00 20.05 O ATOM 221 CB TYR A 7 9.770 -2.861 -6.479 1.00 54.11 C ATOM 222 CG TYR A 7 9.388 -4.336 -6.583 1.00 71.04 C ATOM 223 CD1 TYR A 7 9.246 -4.947 -7.845 1.00 22.53 C ATOM 224 CD2 TYR A 7 9.151 -5.100 -5.419 1.00 32.01 C ATOM 225 CE1 TYR A 7 8.898 -6.309 -7.944 1.00 51.11 C ATOM 226 CE2 TYR A 7 8.818 -6.467 -5.517 1.00 13.51 C ATOM 227 CZ TYR A 7 8.691 -7.072 -6.780 1.00 23.13 C ATOM 228 OH TYR A 7 8.358 -8.392 -6.878 1.00 1.12 O ATOM 0 H TYR A 7 11.359 -2.896 -4.160 1.00 32.11 H new ATOM 0 HA TYR A 7 11.856 -2.854 -7.075 1.00 30.14 H new ATOM 0 HB2 TYR A 7 9.179 -2.410 -5.682 1.00 54.11 H new ATOM 0 HB3 TYR A 7 9.484 -2.367 -7.407 1.00 54.11 H new ATOM 0 HD1 TYR A 7 9.405 -4.367 -8.742 1.00 22.53 H new ATOM 0 HD2 TYR A 7 9.225 -4.634 -4.447 1.00 32.01 H new ATOM 0 HE1 TYR A 7 8.790 -6.768 -8.916 1.00 51.11 H new ATOM 0 HE2 TYR A 7 8.660 -7.050 -4.621 1.00 13.51 H new ATOM 0 HH TYR A 7 8.229 -8.628 -7.820 1.00 1.12 H new ATOM 238 N GLN A 8 11.939 -0.338 -7.002 1.00 12.25 N ATOM 239 CA GLN A 8 12.028 1.126 -7.022 1.00 23.23 C ATOM 240 C GLN A 8 10.782 1.703 -7.714 1.00 74.20 C ATOM 241 O GLN A 8 10.218 1.044 -8.588 1.00 23.14 O ATOM 242 CB GLN A 8 13.335 1.541 -7.736 1.00 44.44 C ATOM 243 CG GLN A 8 13.401 1.267 -9.260 1.00 54.44 C ATOM 244 CD GLN A 8 14.676 0.543 -9.694 1.00 43.43 C ATOM 245 OE1 GLN A 8 15.782 1.009 -9.435 1.00 25.13 O ATOM 246 NE2 GLN A 8 14.526 -0.603 -10.362 1.00 32.20 N ATOM 0 H GLN A 8 12.268 -0.770 -7.865 1.00 12.25 H new ATOM 0 HA GLN A 8 12.057 1.526 -6.008 1.00 23.23 H new ATOM 0 HB2 GLN A 8 13.490 2.608 -7.573 1.00 44.44 H new ATOM 0 HB3 GLN A 8 14.166 1.021 -7.259 1.00 44.44 H new ATOM 0 HG2 GLN A 8 12.537 0.671 -9.552 1.00 54.44 H new ATOM 0 HG3 GLN A 8 13.330 2.214 -9.795 1.00 54.44 H new ATOM 0 HE21 GLN A 8 13.591 -0.960 -10.559 1.00 32.20 H new ATOM 0 HE22 GLN A 8 15.346 -1.122 -10.675 1.00 32.20 H new ATOM 255 N LEU A 9 10.404 2.939 -7.352 1.00 12.01 N ATOM 256 CA LEU A 9 9.346 3.701 -8.027 1.00 44.41 C ATOM 257 C LEU A 9 9.792 4.072 -9.457 1.00 23.42 C ATOM 258 O LEU A 9 10.966 4.385 -9.665 1.00 10.44 O ATOM 259 CB LEU A 9 8.993 4.940 -7.166 1.00 53.02 C ATOM 260 CG LEU A 9 7.492 5.249 -7.006 1.00 23.31 C ATOM 261 CD1 LEU A 9 7.285 6.335 -5.935 1.00 2.25 C ATOM 262 CD2 LEU A 9 6.805 5.651 -8.317 1.00 32.31 C ATOM 0 H LEU A 9 10.830 3.441 -6.573 1.00 12.01 H new ATOM 0 HA LEU A 9 8.443 3.099 -8.130 1.00 44.41 H new ATOM 0 HB2 LEU A 9 9.422 4.802 -6.174 1.00 53.02 H new ATOM 0 HB3 LEU A 9 9.478 5.812 -7.605 1.00 53.02 H new ATOM 0 HG LEU A 9 7.018 4.321 -6.688 1.00 23.31 H new ATOM 0 HD11 LEU A 9 6.221 6.545 -5.831 1.00 2.25 H new ATOM 0 HD12 LEU A 9 7.681 5.986 -4.981 1.00 2.25 H new ATOM 0 HD13 LEU A 9 7.807 7.244 -6.233 1.00 2.25 H new ATOM 0 HD21 LEU A 9 5.751 5.854 -8.128 1.00 32.31 H new ATOM 0 HD22 LEU A 9 7.281 6.546 -8.717 1.00 32.31 H new ATOM 0 HD23 LEU A 9 6.895 4.839 -9.039 1.00 32.31 H new ATOM 274 N GLN A 10 8.852 4.001 -10.411 1.00 4.02 N ATOM 275 CA GLN A 10 9.073 4.289 -11.829 1.00 40.12 C ATOM 276 C GLN A 10 8.212 5.470 -12.287 1.00 25.41 C ATOM 277 O GLN A 10 8.734 6.377 -12.934 1.00 51.02 O ATOM 278 CB GLN A 10 8.755 3.034 -12.672 1.00 23.21 C ATOM 279 CG GLN A 10 9.649 1.814 -12.383 1.00 11.14 C ATOM 280 CD GLN A 10 11.075 1.970 -12.908 1.00 73.23 C ATOM 281 OE1 GLN A 10 11.372 1.569 -14.030 1.00 22.21 O ATOM 282 NE2 GLN A 10 11.966 2.539 -12.097 1.00 4.53 N ATOM 0 H GLN A 10 7.889 3.733 -10.207 1.00 4.02 H new ATOM 0 HA GLN A 10 10.119 4.560 -11.970 1.00 40.12 H new ATOM 0 HB2 GLN A 10 7.716 2.753 -12.501 1.00 23.21 H new ATOM 0 HB3 GLN A 10 8.846 3.291 -13.727 1.00 23.21 H new ATOM 0 HG2 GLN A 10 9.682 1.644 -11.307 1.00 11.14 H new ATOM 0 HG3 GLN A 10 9.199 0.928 -12.832 1.00 11.14 H new ATOM 0 HE21 GLN A 10 11.681 2.860 -11.172 1.00 4.53 H new ATOM 0 HE22 GLN A 10 12.933 2.654 -12.402 1.00 4.53 H new ATOM 291 N SER A 11 6.915 5.436 -11.944 1.00 2.22 N ATOM 292 CA SER A 11 5.925 6.441 -12.327 1.00 31.44 C ATOM 293 C SER A 11 4.812 6.501 -11.278 1.00 60.01 C ATOM 294 O SER A 11 4.531 5.496 -10.628 1.00 44.20 O ATOM 295 CB SER A 11 5.359 6.110 -13.726 1.00 33.23 C ATOM 296 OG SER A 11 6.172 6.678 -14.732 1.00 42.42 O ATOM 0 H SER A 11 6.520 4.686 -11.377 1.00 2.22 H new ATOM 0 HA SER A 11 6.398 7.422 -12.375 1.00 31.44 H new ATOM 0 HB2 SER A 11 5.307 5.029 -13.858 1.00 33.23 H new ATOM 0 HB3 SER A 11 4.341 6.491 -13.813 1.00 33.23 H new ATOM 0 HG SER A 11 7.101 6.714 -14.421 1.00 42.42 H new ATOM 302 N GLN A 12 4.183 7.678 -11.152 1.00 33.41 N ATOM 303 CA GLN A 12 3.100 7.936 -10.209 1.00 74.33 C ATOM 304 C GLN A 12 2.146 8.994 -10.777 1.00 1.03 C ATOM 305 O GLN A 12 2.600 9.987 -11.346 1.00 32.25 O ATOM 306 CB GLN A 12 3.655 8.268 -8.801 1.00 61.21 C ATOM 307 CG GLN A 12 4.721 9.391 -8.752 1.00 23.43 C ATOM 308 CD GLN A 12 5.442 9.504 -7.404 1.00 73.02 C ATOM 309 OE1 GLN A 12 5.142 8.783 -6.455 1.00 23.32 O ATOM 310 NE2 GLN A 12 6.408 10.420 -7.314 1.00 11.21 N ATOM 0 H GLN A 12 4.423 8.492 -11.718 1.00 33.41 H new ATOM 0 HA GLN A 12 2.506 7.032 -10.075 1.00 74.33 H new ATOM 0 HB2 GLN A 12 2.822 8.554 -8.159 1.00 61.21 H new ATOM 0 HB3 GLN A 12 4.087 7.362 -8.377 1.00 61.21 H new ATOM 0 HG2 GLN A 12 5.459 9.212 -9.534 1.00 23.43 H new ATOM 0 HG3 GLN A 12 4.242 10.344 -8.978 1.00 23.43 H new ATOM 0 HE21 GLN A 12 6.634 11.004 -8.119 1.00 11.21 H new ATOM 0 HE22 GLN A 12 6.920 10.537 -6.440 1.00 11.21 H new ATOM 319 N GLU A 13 0.840 8.729 -10.619 1.00 43.44 N ATOM 320 CA GLU A 13 -0.268 9.513 -11.165 1.00 42.23 C ATOM 321 C GLU A 13 -1.267 9.854 -10.055 1.00 20.52 C ATOM 322 O GLU A 13 -1.417 9.081 -9.108 1.00 74.05 O ATOM 323 CB GLU A 13 -0.938 8.712 -12.307 1.00 15.01 C ATOM 324 CG GLU A 13 -0.353 9.000 -13.701 1.00 12.24 C ATOM 325 CD GLU A 13 -0.624 10.433 -14.163 1.00 45.31 C ATOM 326 OE1 GLU A 13 -1.817 10.809 -14.187 1.00 24.51 O ATOM 327 OE2 GLU A 13 0.367 11.133 -14.463 1.00 1.35 O1- ATOM 0 H GLU A 13 0.518 7.924 -10.082 1.00 43.44 H new ATOM 0 HA GLU A 13 0.103 10.453 -11.572 1.00 42.23 H new ATOM 0 HB2 GLU A 13 -0.840 7.647 -12.096 1.00 15.01 H new ATOM 0 HB3 GLU A 13 -2.004 8.938 -12.318 1.00 15.01 H new ATOM 0 HG2 GLU A 13 0.723 8.824 -13.684 1.00 12.24 H new ATOM 0 HG3 GLU A 13 -0.779 8.302 -14.422 1.00 12.24 H new ATOM 334 N ASN A 14 -1.897 11.040 -10.178 1.00 43.13 N ATOM 335 CA ASN A 14 -2.693 11.717 -9.139 1.00 52.34 C ATOM 336 C ASN A 14 -1.900 11.944 -7.834 1.00 34.24 C ATOM 337 O ASN A 14 -2.522 12.067 -6.781 1.00 23.21 O ATOM 338 CB ASN A 14 -4.053 10.981 -8.912 1.00 31.51 C ATOM 339 CG ASN A 14 -5.219 11.546 -9.725 1.00 12.42 C ATOM 340 OD1 ASN A 14 -5.409 12.759 -9.790 1.00 10.54 O ATOM 341 ND2 ASN A 14 -6.046 10.671 -10.301 1.00 73.45 N ATOM 0 H ASN A 14 -1.862 11.575 -11.046 1.00 43.13 H new ATOM 0 HA ASN A 14 -2.928 12.717 -9.503 1.00 52.34 H new ATOM 0 HB2 ASN A 14 -3.928 9.927 -9.162 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -4.307 11.030 -7.853 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -6.863 11.003 -10.813 1.00 73.45 H new ATOM 0 HD22 ASN A 14 -5.861 9.671 -10.229 1.00 73.45 H new ATOM 348 N PHE A 15 -0.553 12.011 -7.914 1.00 24.15 N ATOM 349 CA PHE A 15 0.340 12.153 -6.765 1.00 23.43 C ATOM 350 C PHE A 15 0.027 13.407 -5.942 1.00 74.11 C ATOM 351 O PHE A 15 -0.385 13.261 -4.795 1.00 1.01 O ATOM 352 CB PHE A 15 1.827 12.054 -7.180 1.00 2.23 C ATOM 353 CG PHE A 15 2.820 12.170 -6.029 1.00 74.31 C ATOM 354 CD1 PHE A 15 3.195 11.022 -5.299 1.00 60.44 C ATOM 355 CD2 PHE A 15 3.227 13.434 -5.553 1.00 63.41 C ATOM 356 CE1 PHE A 15 4.002 11.138 -4.176 1.00 62.11 C ATOM 357 CE2 PHE A 15 4.005 13.533 -4.408 1.00 71.40 C ATOM 358 CZ PHE A 15 4.394 12.391 -3.725 1.00 21.22 C ATOM 0 H PHE A 15 -0.055 11.966 -8.803 1.00 24.15 H new ATOM 0 HA PHE A 15 0.152 11.309 -6.101 1.00 23.43 H new ATOM 0 HB2 PHE A 15 1.986 11.101 -7.684 1.00 2.23 H new ATOM 0 HB3 PHE A 15 2.040 12.839 -7.906 1.00 2.23 H new ATOM 0 HD1 PHE A 15 2.852 10.048 -5.616 1.00 60.44 H new ATOM 0 HD2 PHE A 15 2.932 14.328 -6.082 1.00 63.41 H new ATOM 0 HE1 PHE A 15 4.326 10.251 -3.652 1.00 62.11 H new ATOM 0 HE2 PHE A 15 4.309 14.505 -4.047 1.00 71.40 H new ATOM 0 HZ PHE A 15 5.005 12.477 -2.838 1.00 21.22 H new ATOM 368 N GLU A 16 0.170 14.598 -6.550 1.00 41.43 N ATOM 369 CA GLU A 16 -0.119 15.866 -5.879 1.00 0.21 C ATOM 370 C GLU A 16 -1.586 15.999 -5.444 1.00 40.14 C ATOM 371 O GLU A 16 -1.817 16.403 -4.309 1.00 50.12 O ATOM 372 CB GLU A 16 0.323 17.074 -6.721 1.00 62.30 C ATOM 373 CG GLU A 16 1.835 17.106 -7.015 1.00 34.23 C ATOM 374 CD GLU A 16 2.310 18.516 -7.359 1.00 35.45 C ATOM 375 OE1 GLU A 16 2.304 19.355 -6.428 1.00 2.32 O ATOM 376 OE2 GLU A 16 2.668 18.735 -8.536 1.00 14.32 O1- ATOM 0 H GLU A 16 0.487 14.703 -7.514 1.00 41.43 H new ATOM 0 HA GLU A 16 0.475 15.859 -4.965 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -0.221 17.066 -7.665 1.00 62.30 H new ATOM 0 HB3 GLU A 16 0.044 17.990 -6.200 1.00 62.30 H new ATOM 0 HG2 GLU A 16 2.383 16.738 -6.148 1.00 34.23 H new ATOM 0 HG3 GLU A 16 2.060 16.433 -7.843 1.00 34.23 H new ATOM 383 N ALA A 17 -2.537 15.605 -6.310 1.00 41.43 N ATOM 384 CA ALA A 17 -3.978 15.613 -6.029 1.00 64.44 C ATOM 385 C ALA A 17 -4.364 14.823 -4.765 1.00 21.15 C ATOM 386 O ALA A 17 -5.078 15.361 -3.921 1.00 52.04 O ATOM 387 CB ALA A 17 -4.738 15.086 -7.256 1.00 51.43 C ATOM 0 H ALA A 17 -2.316 15.265 -7.246 1.00 41.43 H new ATOM 0 HA ALA A 17 -4.261 16.646 -5.826 1.00 64.44 H new ATOM 0 HB1 ALA A 17 -5.808 15.091 -7.051 1.00 51.43 H new ATOM 0 HB2 ALA A 17 -4.530 15.725 -8.115 1.00 51.43 H new ATOM 0 HB3 ALA A 17 -4.415 14.068 -7.475 1.00 51.43 H new ATOM 393 N PHE A 18 -3.829 13.598 -4.639 1.00 53.03 N ATOM 394 CA PHE A 18 -3.964 12.730 -3.471 1.00 1.40 C ATOM 395 C PHE A 18 -3.270 13.288 -2.215 1.00 42.54 C ATOM 396 O PHE A 18 -3.882 13.277 -1.150 1.00 24.03 O ATOM 397 CB PHE A 18 -3.484 11.306 -3.838 1.00 72.24 C ATOM 398 CG PHE A 18 -3.429 10.290 -2.708 1.00 64.31 C ATOM 399 CD1 PHE A 18 -2.250 10.142 -1.946 1.00 12.40 C ATOM 400 CD2 PHE A 18 -4.593 9.601 -2.309 1.00 3.02 C ATOM 401 CE1 PHE A 18 -2.232 9.298 -0.845 1.00 31.44 C ATOM 402 CE2 PHE A 18 -4.546 8.745 -1.216 1.00 22.13 C ATOM 403 CZ PHE A 18 -3.376 8.603 -0.482 1.00 41.52 C ATOM 0 H PHE A 18 -3.270 13.174 -5.380 1.00 53.03 H new ATOM 0 HA PHE A 18 -5.018 12.686 -3.198 1.00 1.40 H new ATOM 0 HB2 PHE A 18 -4.141 10.915 -4.615 1.00 72.24 H new ATOM 0 HB3 PHE A 18 -2.488 11.385 -4.273 1.00 72.24 H new ATOM 0 HD1 PHE A 18 -1.359 10.687 -2.221 1.00 12.40 H new ATOM 0 HD2 PHE A 18 -5.517 9.738 -2.851 1.00 3.02 H new ATOM 0 HE1 PHE A 18 -1.325 9.182 -0.270 1.00 31.44 H new ATOM 0 HE2 PHE A 18 -5.426 8.186 -0.935 1.00 22.13 H new ATOM 0 HZ PHE A 18 -3.357 7.948 0.376 1.00 41.52 H new ATOM 413 N MET A 19 -2.016 13.751 -2.364 1.00 55.30 N ATOM 414 CA MET A 19 -1.167 14.222 -1.265 1.00 10.14 C ATOM 415 C MET A 19 -1.661 15.542 -0.639 1.00 23.02 C ATOM 416 O MET A 19 -1.654 15.647 0.588 1.00 25.41 O ATOM 417 CB MET A 19 0.304 14.303 -1.707 1.00 3.32 C ATOM 418 CG MET A 19 0.915 12.962 -2.155 1.00 44.32 C ATOM 419 SD MET A 19 1.840 12.035 -0.906 1.00 31.24 S ATOM 420 CE MET A 19 1.758 10.380 -1.636 1.00 45.12 C ATOM 0 H MET A 19 -1.558 13.808 -3.274 1.00 55.30 H new ATOM 0 HA MET A 19 -1.239 13.481 -0.469 1.00 10.14 H new ATOM 0 HB2 MET A 19 0.384 15.016 -2.528 1.00 3.32 H new ATOM 0 HB3 MET A 19 0.896 14.699 -0.882 1.00 3.32 H new ATOM 0 HG2 MET A 19 0.109 12.327 -2.523 1.00 44.32 H new ATOM 0 HG3 MET A 19 1.579 13.155 -2.997 1.00 44.32 H new ATOM 0 HE1 MET A 19 2.705 9.864 -1.475 1.00 45.12 H new ATOM 0 HE2 MET A 19 0.953 9.815 -1.167 1.00 45.12 H new ATOM 0 HE3 MET A 19 1.567 10.463 -2.706 1.00 45.12 H new ATOM 430 N LYS A 20 -2.136 16.493 -1.467 1.00 5.12 N ATOM 431 CA LYS A 20 -2.839 17.704 -1.022 1.00 70.21 C ATOM 432 C LYS A 20 -4.185 17.385 -0.336 1.00 45.31 C ATOM 433 O LYS A 20 -4.521 18.058 0.636 1.00 54.35 O ATOM 434 CB LYS A 20 -3.064 18.697 -2.194 1.00 21.54 C ATOM 435 CG LYS A 20 -1.898 19.654 -2.552 1.00 73.32 C ATOM 436 CD LYS A 20 -1.198 19.337 -3.887 1.00 31.42 C ATOM 437 CE LYS A 20 -0.414 20.508 -4.512 1.00 14.14 C ATOM 438 NZ LYS A 20 0.908 20.709 -3.899 1.00 71.41 N1+ ATOM 0 H LYS A 20 -2.038 16.437 -2.481 1.00 5.12 H new ATOM 0 HA LYS A 20 -2.191 18.175 -0.283 1.00 70.21 H new ATOM 0 HB2 LYS A 20 -3.310 18.118 -3.084 1.00 21.54 H new ATOM 0 HB3 LYS A 20 -3.938 19.304 -1.958 1.00 21.54 H new ATOM 0 HG2 LYS A 20 -2.281 20.674 -2.590 1.00 73.32 H new ATOM 0 HG3 LYS A 20 -1.159 19.621 -1.752 1.00 73.32 H new ATOM 0 HD2 LYS A 20 -0.512 18.504 -3.730 1.00 31.42 H new ATOM 0 HD3 LYS A 20 -1.949 19.001 -4.602 1.00 31.42 H new ATOM 0 HE2 LYS A 20 -0.289 20.325 -5.579 1.00 14.14 H new ATOM 0 HE3 LYS A 20 -0.998 21.423 -4.411 1.00 14.14 H new ATOM 0 HZ1 LYS A 20 1.136 21.724 -3.891 1.00 71.41 H new ATOM 0 HZ2 LYS A 20 0.897 20.349 -2.923 1.00 71.41 H new ATOM 0 HZ3 LYS A 20 1.627 20.196 -4.448 1.00 71.41 H new ATOM 452 N ALA A 21 -4.918 16.374 -0.840 1.00 70.25 N ATOM 453 CA ALA A 21 -6.225 15.960 -0.316 1.00 31.14 C ATOM 454 C ALA A 21 -6.166 15.280 1.062 1.00 31.42 C ATOM 455 O ALA A 21 -7.067 15.522 1.865 1.00 52.22 O ATOM 456 CB ALA A 21 -6.941 15.066 -1.332 1.00 4.31 C ATOM 0 H ALA A 21 -4.610 15.815 -1.636 1.00 70.25 H new ATOM 0 HA ALA A 21 -6.794 16.877 -0.163 1.00 31.14 H new ATOM 0 HB1 ALA A 21 -7.909 14.765 -0.933 1.00 4.31 H new ATOM 0 HB2 ALA A 21 -7.087 15.616 -2.262 1.00 4.31 H new ATOM 0 HB3 ALA A 21 -6.337 14.180 -1.526 1.00 4.31 H new ATOM 462 N ILE A 22 -5.109 14.491 1.333 1.00 64.42 N ATOM 463 CA ILE A 22 -4.839 13.932 2.666 1.00 53.33 C ATOM 464 C ILE A 22 -4.173 14.944 3.630 1.00 74.23 C ATOM 465 O ILE A 22 -4.044 14.634 4.815 1.00 51.23 O ATOM 466 CB ILE A 22 -4.009 12.614 2.626 1.00 34.13 C ATOM 467 CG1 ILE A 22 -2.565 12.762 2.098 1.00 63.24 C ATOM 468 CG2 ILE A 22 -4.779 11.504 1.882 1.00 10.14 C ATOM 469 CD1 ILE A 22 -1.682 11.532 2.352 1.00 61.52 C ATOM 0 H ILE A 22 -4.419 14.224 0.631 1.00 64.42 H new ATOM 0 HA ILE A 22 -5.827 13.694 3.059 1.00 53.33 H new ATOM 0 HB ILE A 22 -3.882 12.324 3.669 1.00 34.13 H new ATOM 0 HG12 ILE A 22 -2.599 12.958 1.026 1.00 63.24 H new ATOM 0 HG13 ILE A 22 -2.104 13.631 2.567 1.00 63.24 H new ATOM 0 HG21 ILE A 22 -4.180 10.593 1.867 1.00 10.14 H new ATOM 0 HG22 ILE A 22 -5.722 11.310 2.393 1.00 10.14 H new ATOM 0 HG23 ILE A 22 -4.980 11.823 0.859 1.00 10.14 H new ATOM 0 HD11 ILE A 22 -0.684 11.712 1.953 1.00 61.52 H new ATOM 0 HD12 ILE A 22 -1.616 11.346 3.424 1.00 61.52 H new ATOM 0 HD13 ILE A 22 -2.118 10.663 1.859 1.00 61.52 H new ATOM 481 N GLY A 23 -3.824 16.145 3.134 1.00 43.03 N ATOM 482 CA GLY A 23 -3.490 17.300 3.961 1.00 24.22 C ATOM 483 C GLY A 23 -1.989 17.444 4.246 1.00 33.24 C ATOM 484 O GLY A 23 -1.643 18.103 5.226 1.00 54.20 O ATOM 0 H GLY A 23 -3.768 16.334 2.133 1.00 43.03 H new ATOM 0 HA2 GLY A 23 -3.845 18.204 3.466 1.00 24.22 H new ATOM 0 HA3 GLY A 23 -4.025 17.224 4.908 1.00 24.22 H new ATOM 488 N LEU A 24 -1.098 16.865 3.417 1.00 41.30 N ATOM 489 CA LEU A 24 0.353 17.072 3.525 1.00 1.32 C ATOM 490 C LEU A 24 0.749 18.509 3.117 1.00 71.32 C ATOM 491 O LEU A 24 0.126 19.060 2.208 1.00 51.04 O ATOM 492 CB LEU A 24 1.093 16.061 2.623 1.00 61.22 C ATOM 493 CG LEU A 24 1.081 14.620 3.171 1.00 65.05 C ATOM 494 CD1 LEU A 24 1.514 13.640 2.076 1.00 2.04 C ATOM 495 CD2 LEU A 24 1.966 14.477 4.424 1.00 64.15 C ATOM 0 H LEU A 24 -1.367 16.242 2.656 1.00 41.30 H new ATOM 0 HA LEU A 24 0.637 16.920 4.566 1.00 1.32 H new ATOM 0 HB2 LEU A 24 0.637 16.068 1.633 1.00 61.22 H new ATOM 0 HB3 LEU A 24 2.126 16.385 2.500 1.00 61.22 H new ATOM 0 HG LEU A 24 0.061 14.382 3.474 1.00 65.05 H new ATOM 0 HD11 LEU A 24 1.503 12.624 2.472 1.00 2.04 H new ATOM 0 HD12 LEU A 24 0.826 13.709 1.233 1.00 2.04 H new ATOM 0 HD13 LEU A 24 2.522 13.889 1.743 1.00 2.04 H new ATOM 0 HD21 LEU A 24 1.930 13.447 4.779 1.00 64.15 H new ATOM 0 HD22 LEU A 24 2.994 14.740 4.175 1.00 64.15 H new ATOM 0 HD23 LEU A 24 1.600 15.143 5.206 1.00 64.15 H new ATOM 507 N PRO A 25 1.792 19.082 3.768 1.00 51.42 N ATOM 508 CA PRO A 25 2.366 20.374 3.358 1.00 64.41 C ATOM 509 C PRO A 25 3.066 20.282 1.991 1.00 52.34 C ATOM 510 O PRO A 25 3.615 19.232 1.654 1.00 25.31 O ATOM 511 CB PRO A 25 3.352 20.708 4.487 1.00 42.32 C ATOM 512 CG PRO A 25 3.807 19.357 5.006 1.00 45.43 C ATOM 513 CD PRO A 25 2.552 18.500 4.879 1.00 10.24 C ATOM 0 HA PRO A 25 1.608 21.146 3.224 1.00 64.41 H new ATOM 0 HB2 PRO A 25 4.193 21.295 4.119 1.00 42.32 H new ATOM 0 HB3 PRO A 25 2.873 21.294 5.272 1.00 42.32 H new ATOM 0 HG2 PRO A 25 4.631 18.955 4.417 1.00 45.43 H new ATOM 0 HG3 PRO A 25 4.152 19.417 6.038 1.00 45.43 H new ATOM 0 HD2 PRO A 25 2.806 17.459 4.678 1.00 10.24 H new ATOM 0 HD3 PRO A 25 1.972 18.514 5.802 1.00 10.24 H new ATOM 521 N GLU A 26 3.006 21.387 1.230 1.00 15.43 N ATOM 522 CA GLU A 26 3.513 21.493 -0.139 1.00 32.41 C ATOM 523 C GLU A 26 5.011 21.154 -0.304 1.00 20.45 C ATOM 524 O GLU A 26 5.362 20.598 -1.340 1.00 41.02 O ATOM 525 CB GLU A 26 3.075 22.858 -0.723 1.00 40.32 C ATOM 526 CG GLU A 26 3.467 23.145 -2.190 1.00 11.11 C ATOM 527 CD GLU A 26 4.620 24.143 -2.320 1.00 71.15 C ATOM 528 OE1 GLU A 26 4.321 25.305 -2.674 1.00 30.22 O ATOM 529 OE2 GLU A 26 5.771 23.736 -2.056 1.00 51.31 O1- ATOM 0 H GLU A 26 2.589 22.256 1.565 1.00 15.43 H new ATOM 0 HA GLU A 26 3.059 20.706 -0.741 1.00 32.41 H new ATOM 0 HB2 GLU A 26 1.991 22.931 -0.640 1.00 40.32 H new ATOM 0 HB3 GLU A 26 3.496 23.646 -0.098 1.00 40.32 H new ATOM 0 HG2 GLU A 26 3.748 22.210 -2.674 1.00 11.11 H new ATOM 0 HG3 GLU A 26 2.598 23.531 -2.723 1.00 11.11 H new ATOM 536 N GLU A 27 5.841 21.400 0.729 1.00 72.42 N ATOM 537 CA GLU A 27 7.250 20.980 0.781 1.00 12.31 C ATOM 538 C GLU A 27 7.428 19.454 0.663 1.00 42.50 C ATOM 539 O GLU A 27 8.197 19.013 -0.190 1.00 21.24 O ATOM 540 CB GLU A 27 7.925 21.530 2.057 1.00 3.21 C ATOM 541 CG GLU A 27 9.415 21.139 2.207 1.00 35.22 C ATOM 542 CD GLU A 27 10.014 21.607 3.531 1.00 64.24 C ATOM 543 OE1 GLU A 27 10.430 20.720 4.308 1.00 75.20 O ATOM 544 OE2 GLU A 27 10.050 22.838 3.743 1.00 2.32 O1- ATOM 0 H GLU A 27 5.543 21.905 1.564 1.00 72.42 H new ATOM 0 HA GLU A 27 7.745 21.406 -0.092 1.00 12.31 H new ATOM 0 HB2 GLU A 27 7.845 22.617 2.057 1.00 3.21 H new ATOM 0 HB3 GLU A 27 7.377 21.170 2.928 1.00 3.21 H new ATOM 0 HG2 GLU A 27 9.512 20.056 2.131 1.00 35.22 H new ATOM 0 HG3 GLU A 27 9.984 21.569 1.383 1.00 35.22 H new ATOM 551 N LEU A 28 6.698 18.686 1.500 1.00 51.31 N ATOM 552 CA LEU A 28 6.686 17.217 1.488 1.00 65.54 C ATOM 553 C LEU A 28 6.124 16.625 0.181 1.00 32.34 C ATOM 554 O LEU A 28 6.486 15.500 -0.168 1.00 40.54 O ATOM 555 CB LEU A 28 5.922 16.663 2.713 1.00 15.54 C ATOM 556 CG LEU A 28 6.705 16.746 4.045 1.00 40.12 C ATOM 557 CD1 LEU A 28 5.800 16.421 5.249 1.00 40.45 C ATOM 558 CD2 LEU A 28 7.950 15.838 4.055 1.00 71.15 C ATOM 0 H LEU A 28 6.090 19.083 2.216 1.00 51.31 H new ATOM 0 HA LEU A 28 7.728 16.902 1.547 1.00 65.54 H new ATOM 0 HB2 LEU A 28 4.986 17.211 2.821 1.00 15.54 H new ATOM 0 HB3 LEU A 28 5.661 15.622 2.523 1.00 15.54 H new ATOM 0 HG LEU A 28 7.049 17.776 4.133 1.00 40.12 H new ATOM 0 HD11 LEU A 28 6.381 16.488 6.169 1.00 40.45 H new ATOM 0 HD12 LEU A 28 4.976 17.133 5.287 1.00 40.45 H new ATOM 0 HD13 LEU A 28 5.403 15.411 5.144 1.00 40.45 H new ATOM 0 HD21 LEU A 28 8.463 15.934 5.012 1.00 71.15 H new ATOM 0 HD22 LEU A 28 7.646 14.802 3.909 1.00 71.15 H new ATOM 0 HD23 LEU A 28 8.623 16.135 3.251 1.00 71.15 H new ATOM 570 N ILE A 29 5.288 17.394 -0.529 1.00 13.23 N ATOM 571 CA ILE A 29 4.751 17.029 -1.834 1.00 61.03 C ATOM 572 C ILE A 29 5.788 17.273 -2.948 1.00 61.24 C ATOM 573 O ILE A 29 5.983 16.374 -3.761 1.00 44.33 O ATOM 574 CB ILE A 29 3.424 17.777 -2.142 1.00 42.33 C ATOM 575 CG1 ILE A 29 2.360 17.434 -1.075 1.00 62.41 C ATOM 576 CG2 ILE A 29 2.869 17.492 -3.554 1.00 63.41 C ATOM 577 CD1 ILE A 29 1.193 18.420 -0.986 1.00 23.43 C ATOM 0 H ILE A 29 4.964 18.304 -0.201 1.00 13.23 H new ATOM 0 HA ILE A 29 4.527 15.963 -1.803 1.00 61.03 H new ATOM 0 HB ILE A 29 3.657 18.841 -2.111 1.00 42.33 H new ATOM 0 HG12 ILE A 29 1.962 16.441 -1.286 1.00 62.41 H new ATOM 0 HG13 ILE A 29 2.847 17.382 -0.101 1.00 62.41 H new ATOM 0 HG21 ILE A 29 1.942 18.047 -3.699 1.00 63.41 H new ATOM 0 HG22 ILE A 29 3.599 17.803 -4.301 1.00 63.41 H new ATOM 0 HG23 ILE A 29 2.673 16.425 -3.660 1.00 63.41 H new ATOM 0 HD11 ILE A 29 0.500 18.095 -0.210 1.00 23.43 H new ATOM 0 HD12 ILE A 29 1.573 19.412 -0.741 1.00 23.43 H new ATOM 0 HD13 ILE A 29 0.674 18.457 -1.944 1.00 23.43 H new ATOM 589 N GLN A 30 6.468 18.437 -2.943 1.00 73.04 N ATOM 590 CA GLN A 30 7.495 18.794 -3.933 1.00 71.00 C ATOM 591 C GLN A 30 8.772 17.942 -3.862 1.00 2.13 C ATOM 592 O GLN A 30 9.346 17.685 -4.917 1.00 63.11 O ATOM 593 CB GLN A 30 7.843 20.303 -3.882 1.00 31.43 C ATOM 594 CG GLN A 30 6.744 21.309 -4.301 1.00 43.50 C ATOM 595 CD GLN A 30 5.803 20.837 -5.410 1.00 43.21 C ATOM 596 OE1 GLN A 30 6.199 20.735 -6.568 1.00 42.35 O ATOM 597 NE2 GLN A 30 4.554 20.538 -5.048 1.00 51.30 N ATOM 0 H GLN A 30 6.315 19.162 -2.242 1.00 73.04 H new ATOM 0 HA GLN A 30 7.038 18.568 -4.896 1.00 71.00 H new ATOM 0 HB2 GLN A 30 8.147 20.543 -2.863 1.00 31.43 H new ATOM 0 HB3 GLN A 30 8.711 20.469 -4.520 1.00 31.43 H new ATOM 0 HG2 GLN A 30 6.147 21.554 -3.423 1.00 43.50 H new ATOM 0 HG3 GLN A 30 7.226 22.231 -4.626 1.00 43.50 H new ATOM 0 HE21 GLN A 30 4.268 20.637 -4.074 1.00 51.30 H new ATOM 0 HE22 GLN A 30 3.886 20.210 -5.745 1.00 51.30 H new ATOM 606 N LYS A 31 9.171 17.497 -2.656 1.00 15.24 N ATOM 607 CA LYS A 31 10.292 16.569 -2.449 1.00 32.41 C ATOM 608 C LYS A 31 9.879 15.091 -2.629 1.00 15.54 C ATOM 609 O LYS A 31 10.759 14.232 -2.661 1.00 25.33 O ATOM 610 CB LYS A 31 10.934 16.838 -1.065 1.00 61.25 C ATOM 611 CG LYS A 31 10.105 16.386 0.153 1.00 25.12 C ATOM 612 CD LYS A 31 10.426 14.976 0.696 1.00 14.14 C ATOM 613 CE LYS A 31 9.163 14.130 0.926 1.00 54.24 C ATOM 614 NZ LYS A 31 9.440 12.909 1.698 1.00 12.45 N1+ ATOM 0 H LYS A 31 8.716 17.778 -1.788 1.00 15.24 H new ATOM 0 HA LYS A 31 11.039 16.753 -3.221 1.00 32.41 H new ATOM 0 HB2 LYS A 31 11.901 16.337 -1.030 1.00 61.25 H new ATOM 0 HB3 LYS A 31 11.125 17.907 -0.975 1.00 61.25 H new ATOM 0 HG2 LYS A 31 10.252 17.107 0.957 1.00 25.12 H new ATOM 0 HG3 LYS A 31 9.049 16.420 -0.116 1.00 25.12 H new ATOM 0 HD2 LYS A 31 11.081 14.461 -0.006 1.00 14.14 H new ATOM 0 HD3 LYS A 31 10.973 15.068 1.634 1.00 14.14 H new ATOM 0 HE2 LYS A 31 8.419 14.728 1.452 1.00 54.24 H new ATOM 0 HE3 LYS A 31 8.731 13.858 -0.037 1.00 54.24 H new ATOM 0 HZ1 LYS A 31 8.652 12.725 2.351 1.00 12.45 H new ATOM 0 HZ2 LYS A 31 9.546 12.104 1.048 1.00 12.45 H new ATOM 0 HZ3 LYS A 31 10.318 13.034 2.241 1.00 12.45 H new ATOM 628 N GLY A 32 8.566 14.811 -2.713 1.00 25.23 N ATOM 629 CA GLY A 32 8.022 13.464 -2.865 1.00 2.20 C ATOM 630 C GLY A 32 7.703 13.147 -4.333 1.00 32.41 C ATOM 631 O GLY A 32 7.731 11.974 -4.705 1.00 51.50 O ATOM 0 H GLY A 32 7.846 15.533 -2.676 1.00 25.23 H new ATOM 0 HA2 GLY A 32 8.738 12.736 -2.482 1.00 2.20 H new ATOM 0 HA3 GLY A 32 7.117 13.367 -2.266 1.00 2.20 H new ATOM 635 N LYS A 33 7.388 14.166 -5.157 1.00 23.43 N ATOM 636 CA LYS A 33 7.051 14.004 -6.574 1.00 13.23 C ATOM 637 C LYS A 33 8.285 13.847 -7.481 1.00 61.53 C ATOM 638 O LYS A 33 8.175 13.135 -8.480 1.00 51.30 O ATOM 639 CB LYS A 33 6.106 15.126 -7.062 1.00 51.13 C ATOM 640 CG LYS A 33 6.600 16.575 -6.889 1.00 0.44 C ATOM 641 CD LYS A 33 6.618 17.419 -8.168 1.00 73.42 C ATOM 642 CE LYS A 33 7.728 17.023 -9.147 1.00 35.11 C ATOM 643 NZ LYS A 33 7.773 17.945 -10.293 1.00 72.55 N1+ ATOM 0 H LYS A 33 7.362 15.137 -4.846 1.00 23.43 H new ATOM 0 HA LYS A 33 6.511 13.061 -6.654 1.00 13.23 H new ATOM 0 HB2 LYS A 33 5.901 14.961 -8.120 1.00 51.13 H new ATOM 0 HB3 LYS A 33 5.158 15.025 -6.534 1.00 51.13 H new ATOM 0 HG2 LYS A 33 5.966 17.072 -6.155 1.00 0.44 H new ATOM 0 HG3 LYS A 33 7.608 16.551 -6.476 1.00 0.44 H new ATOM 0 HD2 LYS A 33 5.654 17.327 -8.668 1.00 73.42 H new ATOM 0 HD3 LYS A 33 6.739 18.468 -7.899 1.00 73.42 H new ATOM 0 HE2 LYS A 33 8.690 17.028 -8.634 1.00 35.11 H new ATOM 0 HE3 LYS A 33 7.560 16.006 -9.500 1.00 35.11 H new ATOM 0 HZ1 LYS A 33 8.533 17.656 -10.942 1.00 72.55 H new ATOM 0 HZ2 LYS A 33 6.862 17.921 -10.794 1.00 72.55 H new ATOM 0 HZ3 LYS A 33 7.956 18.911 -9.954 1.00 72.55 H new ATOM 657 N ASP A 34 9.417 14.493 -7.139 1.00 50.54 N ATOM 658 CA ASP A 34 10.664 14.423 -7.914 1.00 73.22 C ATOM 659 C ASP A 34 11.480 13.171 -7.548 1.00 31.32 C ATOM 660 O ASP A 34 11.866 12.423 -8.449 1.00 61.12 O ATOM 661 CB ASP A 34 11.557 15.695 -7.846 1.00 22.05 C ATOM 662 CG ASP A 34 11.901 16.255 -6.459 1.00 5.32 C ATOM 663 OD1 ASP A 34 11.399 15.711 -5.452 1.00 31.22 O ATOM 664 OD2 ASP A 34 12.685 17.227 -6.432 1.00 3.34 O1- ATOM 0 H ASP A 34 9.489 15.082 -6.309 1.00 50.54 H new ATOM 0 HA ASP A 34 10.336 14.357 -8.951 1.00 73.22 H new ATOM 0 HB2 ASP A 34 12.493 15.475 -8.360 1.00 22.05 H new ATOM 0 HB3 ASP A 34 11.060 16.483 -8.412 1.00 22.05 H new ATOM 669 N ILE A 35 11.724 12.973 -6.241 1.00 12.23 N ATOM 670 CA ILE A 35 12.472 11.841 -5.704 1.00 41.32 C ATOM 671 C ILE A 35 11.566 10.602 -5.706 1.00 25.42 C ATOM 672 O ILE A 35 10.587 10.558 -4.958 1.00 2.34 O ATOM 673 CB ILE A 35 12.977 12.084 -4.246 1.00 45.03 C ATOM 674 CG1 ILE A 35 13.798 13.387 -4.092 1.00 53.41 C ATOM 675 CG2 ILE A 35 13.769 10.885 -3.677 1.00 41.45 C ATOM 676 CD1 ILE A 35 15.011 13.511 -5.025 1.00 5.42 C ATOM 0 H ILE A 35 11.396 13.614 -5.519 1.00 12.23 H new ATOM 0 HA ILE A 35 13.348 11.702 -6.338 1.00 41.32 H new ATOM 0 HB ILE A 35 12.067 12.197 -3.657 1.00 45.03 H new ATOM 0 HG12 ILE A 35 13.137 14.236 -4.267 1.00 53.41 H new ATOM 0 HG13 ILE A 35 14.144 13.459 -3.061 1.00 53.41 H new ATOM 0 HG21 ILE A 35 14.094 11.112 -2.662 1.00 41.45 H new ATOM 0 HG22 ILE A 35 13.132 10.001 -3.665 1.00 41.45 H new ATOM 0 HG23 ILE A 35 14.641 10.695 -4.303 1.00 41.45 H new ATOM 0 HD11 ILE A 35 15.518 14.458 -4.839 1.00 5.42 H new ATOM 0 HD12 ILE A 35 15.700 12.687 -4.838 1.00 5.42 H new ATOM 0 HD13 ILE A 35 14.677 13.476 -6.062 1.00 5.42 H new ATOM 688 N LYS A 36 11.926 9.621 -6.548 1.00 22.42 N ATOM 689 CA LYS A 36 11.292 8.309 -6.571 1.00 71.21 C ATOM 690 C LYS A 36 11.604 7.537 -5.282 1.00 4.44 C ATOM 691 O LYS A 36 12.767 7.433 -4.891 1.00 43.34 O ATOM 692 CB LYS A 36 11.728 7.519 -7.827 1.00 63.15 C ATOM 693 CG LYS A 36 10.865 7.803 -9.077 1.00 0.11 C ATOM 694 CD LYS A 36 11.272 9.037 -9.893 1.00 54.43 C ATOM 695 CE LYS A 36 12.565 8.818 -10.693 1.00 3.34 C ATOM 696 NZ LYS A 36 12.883 9.988 -11.525 1.00 51.25 N1+ ATOM 0 H LYS A 36 12.673 9.725 -7.235 1.00 22.42 H new ATOM 0 HA LYS A 36 10.211 8.442 -6.622 1.00 71.21 H new ATOM 0 HB2 LYS A 36 12.767 7.759 -8.053 1.00 63.15 H new ATOM 0 HB3 LYS A 36 11.689 6.453 -7.605 1.00 63.15 H new ATOM 0 HG2 LYS A 36 10.901 6.930 -9.728 1.00 0.11 H new ATOM 0 HG3 LYS A 36 9.828 7.923 -8.762 1.00 0.11 H new ATOM 0 HD2 LYS A 36 10.465 9.297 -10.578 1.00 54.43 H new ATOM 0 HD3 LYS A 36 11.405 9.885 -9.221 1.00 54.43 H new ATOM 0 HE2 LYS A 36 13.390 8.621 -10.008 1.00 3.34 H new ATOM 0 HE3 LYS A 36 12.459 7.937 -11.326 1.00 3.34 H new ATOM 0 HZ1 LYS A 36 13.761 9.810 -12.053 1.00 51.25 H new ATOM 0 HZ2 LYS A 36 12.105 10.160 -12.194 1.00 51.25 H new ATOM 0 HZ3 LYS A 36 13.008 10.823 -10.917 1.00 51.25 H new ATOM 710 N GLY A 37 10.540 7.002 -4.669 1.00 2.05 N ATOM 711 CA GLY A 37 10.606 6.165 -3.480 1.00 32.21 C ATOM 712 C GLY A 37 11.114 4.754 -3.815 1.00 11.23 C ATOM 713 O GLY A 37 11.527 4.457 -4.939 1.00 34.23 O ATOM 0 H GLY A 37 9.587 7.148 -5.001 1.00 2.05 H new ATOM 0 HA2 GLY A 37 11.266 6.626 -2.745 1.00 32.21 H new ATOM 0 HA3 GLY A 37 9.618 6.099 -3.024 1.00 32.21 H new ATOM 717 N VAL A 38 11.080 3.880 -2.806 1.00 23.15 N ATOM 718 CA VAL A 38 11.447 2.469 -2.920 1.00 73.42 C ATOM 719 C VAL A 38 10.455 1.664 -2.059 1.00 44.22 C ATOM 720 O VAL A 38 9.878 2.213 -1.120 1.00 3.40 O ATOM 721 CB VAL A 38 12.908 2.185 -2.436 1.00 61.42 C ATOM 722 CG1 VAL A 38 13.410 0.791 -2.845 1.00 1.10 C ATOM 723 CG2 VAL A 38 13.933 3.234 -2.912 1.00 41.14 C ATOM 0 H VAL A 38 10.789 4.142 -1.864 1.00 23.15 H new ATOM 0 HA VAL A 38 11.404 2.179 -3.970 1.00 73.42 H new ATOM 0 HB VAL A 38 12.837 2.240 -1.350 1.00 61.42 H new ATOM 0 HG11 VAL A 38 14.428 0.650 -2.482 1.00 1.10 H new ATOM 0 HG12 VAL A 38 12.762 0.029 -2.412 1.00 1.10 H new ATOM 0 HG13 VAL A 38 13.396 0.704 -3.931 1.00 1.10 H new ATOM 0 HG21 VAL A 38 14.923 2.971 -2.538 1.00 41.14 H new ATOM 0 HG22 VAL A 38 13.951 3.257 -4.002 1.00 41.14 H new ATOM 0 HG23 VAL A 38 13.651 4.216 -2.533 1.00 41.14 H new ATOM 733 N SER A 39 10.248 0.388 -2.409 1.00 55.12 N ATOM 734 CA SER A 39 9.341 -0.518 -1.716 1.00 32.20 C ATOM 735 C SER A 39 9.940 -1.929 -1.678 1.00 25.20 C ATOM 736 O SER A 39 10.146 -2.516 -2.738 1.00 12.25 O ATOM 737 CB SER A 39 7.966 -0.527 -2.419 1.00 61.43 C ATOM 738 OG SER A 39 7.210 0.616 -2.074 1.00 30.44 O ATOM 0 H SER A 39 10.721 -0.047 -3.201 1.00 55.12 H new ATOM 0 HA SER A 39 9.202 -0.174 -0.691 1.00 32.20 H new ATOM 0 HB2 SER A 39 8.107 -0.561 -3.499 1.00 61.43 H new ATOM 0 HB3 SER A 39 7.418 -1.427 -2.141 1.00 61.43 H new ATOM 0 HG SER A 39 7.803 1.300 -1.699 1.00 30.44 H new ATOM 744 N GLU A 40 10.157 -2.461 -0.463 1.00 0.52 N ATOM 745 CA GLU A 40 10.475 -3.869 -0.239 1.00 41.33 C ATOM 746 C GLU A 40 9.200 -4.597 0.199 1.00 33.01 C ATOM 747 O GLU A 40 8.480 -4.117 1.075 1.00 10.34 O ATOM 748 CB GLU A 40 11.619 -4.024 0.782 1.00 3.20 C ATOM 749 CG GLU A 40 12.204 -5.453 0.781 1.00 1.11 C ATOM 750 CD GLU A 40 13.474 -5.575 1.618 1.00 53.23 C ATOM 751 OE1 GLU A 40 13.489 -6.456 2.504 1.00 2.42 O ATOM 752 OE2 GLU A 40 14.418 -4.804 1.340 1.00 22.13 O1- ATOM 0 H GLU A 40 10.114 -1.913 0.397 1.00 0.52 H new ATOM 0 HA GLU A 40 10.833 -4.321 -1.164 1.00 41.33 H new ATOM 0 HB2 GLU A 40 12.409 -3.309 0.553 1.00 3.20 H new ATOM 0 HB3 GLU A 40 11.250 -3.784 1.779 1.00 3.20 H new ATOM 0 HG2 GLU A 40 11.455 -6.147 1.163 1.00 1.11 H new ATOM 0 HG3 GLU A 40 12.421 -5.751 -0.245 1.00 1.11 H new ATOM 759 N ILE A 41 8.941 -5.733 -0.456 1.00 21.23 N ATOM 760 CA ILE A 41 7.709 -6.502 -0.335 1.00 11.11 C ATOM 761 C ILE A 41 8.122 -7.951 -0.023 1.00 1.33 C ATOM 762 O ILE A 41 9.036 -8.458 -0.673 1.00 2.42 O ATOM 763 CB ILE A 41 6.932 -6.476 -1.687 1.00 14.45 C ATOM 764 CG1 ILE A 41 6.701 -5.034 -2.204 1.00 73.42 C ATOM 765 CG2 ILE A 41 5.589 -7.225 -1.600 1.00 42.00 C ATOM 766 CD1 ILE A 41 5.990 -4.954 -3.563 1.00 72.04 C ATOM 0 H ILE A 41 9.608 -6.152 -1.105 1.00 21.23 H new ATOM 0 HA ILE A 41 7.068 -6.088 0.443 1.00 11.11 H new ATOM 0 HB ILE A 41 7.568 -6.996 -2.404 1.00 14.45 H new ATOM 0 HG12 ILE A 41 6.113 -4.487 -1.467 1.00 73.42 H new ATOM 0 HG13 ILE A 41 7.664 -4.530 -2.281 1.00 73.42 H new ATOM 0 HG21 ILE A 41 5.084 -7.180 -2.565 1.00 42.00 H new ATOM 0 HG22 ILE A 41 5.770 -8.266 -1.333 1.00 42.00 H new ATOM 0 HG23 ILE A 41 4.961 -6.760 -0.840 1.00 42.00 H new ATOM 0 HD11 ILE A 41 5.869 -3.909 -3.849 1.00 72.04 H new ATOM 0 HD12 ILE A 41 6.586 -5.470 -4.316 1.00 72.04 H new ATOM 0 HD13 ILE A 41 5.010 -5.426 -3.489 1.00 72.04 H new ATOM 778 N VAL A 42 7.475 -8.588 0.969 1.00 51.41 N ATOM 779 CA VAL A 42 7.806 -9.960 1.363 1.00 23.01 C ATOM 780 C VAL A 42 6.534 -10.692 1.822 1.00 3.20 C ATOM 781 O VAL A 42 5.842 -10.192 2.706 1.00 70.04 O ATOM 782 CB VAL A 42 8.847 -10.039 2.531 1.00 64.41 C ATOM 783 CG1 VAL A 42 9.484 -11.439 2.614 1.00 21.22 C ATOM 784 CG2 VAL A 42 9.975 -8.989 2.467 1.00 14.34 C ATOM 0 H VAL A 42 6.719 -8.169 1.511 1.00 51.41 H new ATOM 0 HA VAL A 42 8.248 -10.426 0.482 1.00 23.01 H new ATOM 0 HB VAL A 42 8.262 -9.822 3.425 1.00 64.41 H new ATOM 0 HG11 VAL A 42 10.202 -11.464 3.434 1.00 21.22 H new ATOM 0 HG12 VAL A 42 8.707 -12.183 2.790 1.00 21.22 H new ATOM 0 HG13 VAL A 42 9.995 -11.663 1.677 1.00 21.22 H new ATOM 0 HG21 VAL A 42 10.645 -9.123 3.316 1.00 14.34 H new ATOM 0 HG22 VAL A 42 10.535 -9.112 1.540 1.00 14.34 H new ATOM 0 HG23 VAL A 42 9.543 -7.989 2.500 1.00 14.34 H new ATOM 794 N GLN A 43 6.283 -11.888 1.256 1.00 45.20 N ATOM 795 CA GLN A 43 5.315 -12.862 1.771 1.00 44.04 C ATOM 796 C GLN A 43 6.050 -13.766 2.778 1.00 71.32 C ATOM 797 O GLN A 43 7.108 -14.303 2.443 1.00 74.35 O ATOM 798 CB GLN A 43 4.737 -13.680 0.592 1.00 3.31 C ATOM 799 CG GLN A 43 3.640 -14.704 0.969 1.00 64.03 C ATOM 800 CD GLN A 43 2.257 -14.069 1.119 1.00 22.32 C ATOM 801 OE1 GLN A 43 1.685 -13.591 0.143 1.00 11.34 O ATOM 802 NE2 GLN A 43 1.702 -14.063 2.331 1.00 42.23 N ATOM 0 H GLN A 43 6.759 -12.206 0.412 1.00 45.20 H new ATOM 0 HA GLN A 43 4.482 -12.369 2.272 1.00 44.04 H new ATOM 0 HB2 GLN A 43 4.326 -12.987 -0.142 1.00 3.31 H new ATOM 0 HB3 GLN A 43 5.555 -14.212 0.106 1.00 3.31 H new ATOM 0 HG2 GLN A 43 3.597 -15.480 0.205 1.00 64.03 H new ATOM 0 HG3 GLN A 43 3.913 -15.193 1.904 1.00 64.03 H new ATOM 0 HE21 GLN A 43 2.202 -14.468 3.123 1.00 42.23 H new ATOM 0 HE22 GLN A 43 0.778 -13.654 2.467 1.00 42.23 H new ATOM 811 N ASN A 44 5.481 -13.911 3.983 1.00 2.11 N ATOM 812 CA ASN A 44 6.092 -14.607 5.122 1.00 73.01 C ATOM 813 C ASN A 44 5.157 -15.728 5.616 1.00 14.21 C ATOM 814 O ASN A 44 4.815 -15.766 6.800 1.00 13.54 O ATOM 815 CB ASN A 44 6.409 -13.602 6.260 1.00 31.31 C ATOM 816 CG ASN A 44 7.232 -12.382 5.839 1.00 43.35 C ATOM 817 OD1 ASN A 44 8.346 -12.518 5.346 1.00 51.43 O ATOM 818 ND2 ASN A 44 6.686 -11.184 6.046 1.00 60.41 N ATOM 0 H ASN A 44 4.557 -13.536 4.197 1.00 2.11 H new ATOM 0 HA ASN A 44 7.031 -15.060 4.803 1.00 73.01 H new ATOM 0 HB2 ASN A 44 5.469 -13.256 6.690 1.00 31.31 H new ATOM 0 HB3 ASN A 44 6.946 -14.128 7.049 1.00 31.31 H new ATOM 0 HD21 ASN A 44 7.198 -10.339 5.792 1.00 60.41 H new ATOM 0 HD22 ASN A 44 5.756 -11.112 6.459 1.00 60.41 H new ATOM 825 N GLY A 45 4.729 -16.616 4.702 1.00 43.22 N ATOM 826 CA GLY A 45 3.740 -17.653 4.999 1.00 0.52 C ATOM 827 C GLY A 45 2.353 -17.000 4.999 1.00 45.51 C ATOM 828 O GLY A 45 1.947 -16.450 3.978 1.00 72.23 O ATOM 0 H GLY A 45 5.062 -16.630 3.738 1.00 43.22 H new ATOM 0 HA2 GLY A 45 3.787 -18.448 4.255 1.00 0.52 H new ATOM 0 HA3 GLY A 45 3.946 -18.110 5.967 1.00 0.52 H new ATOM 832 N LYS A 46 1.638 -17.060 6.137 1.00 30.04 N ATOM 833 CA LYS A 46 0.380 -16.330 6.342 1.00 51.45 C ATOM 834 C LYS A 46 0.623 -14.834 6.636 1.00 0.32 C ATOM 835 O LYS A 46 -0.213 -14.014 6.259 1.00 74.42 O ATOM 836 CB LYS A 46 -0.438 -17.009 7.464 1.00 21.31 C ATOM 837 CG LYS A 46 -1.904 -16.532 7.595 1.00 1.33 C ATOM 838 CD LYS A 46 -2.813 -16.831 6.385 1.00 73.32 C ATOM 839 CE LYS A 46 -2.975 -18.320 6.041 1.00 1.34 C ATOM 840 NZ LYS A 46 -3.584 -19.072 7.152 1.00 43.32 N1+ ATOM 0 H LYS A 46 1.920 -17.619 6.942 1.00 30.04 H new ATOM 0 HA LYS A 46 -0.197 -16.369 5.418 1.00 51.45 H new ATOM 0 HB2 LYS A 46 -0.438 -18.085 7.291 1.00 21.31 H new ATOM 0 HB3 LYS A 46 0.068 -16.839 8.414 1.00 21.31 H new ATOM 0 HG2 LYS A 46 -2.341 -16.997 8.479 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -1.903 -15.456 7.769 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -3.799 -16.410 6.579 1.00 73.32 H new ATOM 0 HD3 LYS A 46 -2.412 -16.315 5.513 1.00 73.32 H new ATOM 0 HE2 LYS A 46 -3.594 -18.422 5.150 1.00 1.34 H new ATOM 0 HE3 LYS A 46 -2.001 -18.747 5.803 1.00 1.34 H new ATOM 0 HZ1 LYS A 46 -3.693 -20.069 6.878 1.00 43.32 H new ATOM 0 HZ2 LYS A 46 -2.972 -19.009 7.991 1.00 43.32 H new ATOM 0 HZ3 LYS A 46 -4.517 -18.670 7.373 1.00 43.32 H new ATOM 854 N HIS A 47 1.771 -14.504 7.260 1.00 24.14 N ATOM 855 CA HIS A 47 2.266 -13.135 7.412 1.00 22.41 C ATOM 856 C HIS A 47 2.720 -12.527 6.073 1.00 14.04 C ATOM 857 O HIS A 47 2.925 -13.240 5.092 1.00 43.50 O ATOM 858 CB HIS A 47 3.386 -13.069 8.484 1.00 50.02 C ATOM 859 CG HIS A 47 2.933 -12.683 9.868 1.00 12.30 C ATOM 860 ND1 HIS A 47 2.305 -11.479 10.143 1.00 34.41 N ATOM 861 CD2 HIS A 47 3.035 -13.329 11.082 1.00 74.35 C ATOM 862 CE1 HIS A 47 2.063 -11.446 11.455 1.00 74.35 C ATOM 863 NE2 HIS A 47 2.476 -12.538 12.089 1.00 65.34 N ATOM 0 H HIS A 47 2.387 -15.201 7.678 1.00 24.14 H new ATOM 0 HA HIS A 47 1.433 -12.524 7.759 1.00 22.41 H new ATOM 0 HB2 HIS A 47 3.872 -14.043 8.538 1.00 50.02 H new ATOM 0 HB3 HIS A 47 4.140 -12.354 8.154 1.00 50.02 H new ATOM 0 HD1 HIS A 47 2.071 -10.752 9.467 1.00 34.41 H new ATOM 0 HD2 HIS A 47 3.481 -14.301 11.232 1.00 74.35 H new ATOM 0 HE1 HIS A 47 1.581 -10.616 11.951 1.00 74.35 H new ATOM 871 N PHE A 48 2.868 -11.200 6.077 1.00 64.22 N ATOM 872 CA PHE A 48 3.281 -10.386 4.944 1.00 21.45 C ATOM 873 C PHE A 48 3.876 -9.102 5.536 1.00 13.42 C ATOM 874 O PHE A 48 3.328 -8.574 6.501 1.00 2.42 O ATOM 875 CB PHE A 48 2.044 -10.079 4.069 1.00 52.14 C ATOM 876 CG PHE A 48 2.337 -9.603 2.655 1.00 13.14 C ATOM 877 CD1 PHE A 48 2.867 -8.320 2.402 1.00 75.01 C ATOM 878 CD2 PHE A 48 2.172 -10.490 1.575 1.00 65.05 C ATOM 879 CE1 PHE A 48 3.208 -7.952 1.109 1.00 13.00 C ATOM 880 CE2 PHE A 48 2.501 -10.100 0.285 1.00 52.34 C ATOM 881 CZ PHE A 48 3.014 -8.833 0.054 1.00 60.00 C ATOM 0 H PHE A 48 2.693 -10.643 6.913 1.00 64.22 H new ATOM 0 HA PHE A 48 4.015 -10.888 4.313 1.00 21.45 H new ATOM 0 HB2 PHE A 48 1.432 -10.979 4.010 1.00 52.14 H new ATOM 0 HB3 PHE A 48 1.446 -9.319 4.572 1.00 52.14 H new ATOM 0 HD1 PHE A 48 3.007 -7.624 3.216 1.00 75.01 H new ATOM 0 HD2 PHE A 48 1.786 -11.483 1.752 1.00 65.05 H new ATOM 0 HE1 PHE A 48 3.627 -6.974 0.922 1.00 13.00 H new ATOM 0 HE2 PHE A 48 2.358 -10.783 -0.539 1.00 52.34 H new ATOM 0 HZ PHE A 48 3.264 -8.530 -0.952 1.00 60.00 H new ATOM 891 N LYS A 49 4.961 -8.609 4.923 1.00 3.35 N ATOM 892 CA LYS A 49 5.597 -7.339 5.253 1.00 52.41 C ATOM 893 C LYS A 49 5.543 -6.399 4.047 1.00 72.32 C ATOM 894 O LYS A 49 5.887 -6.806 2.935 1.00 11.52 O ATOM 895 CB LYS A 49 7.053 -7.579 5.693 1.00 41.21 C ATOM 896 CG LYS A 49 7.175 -8.021 7.162 1.00 22.14 C ATOM 897 CD LYS A 49 8.569 -8.551 7.531 1.00 12.30 C ATOM 898 CE LYS A 49 9.707 -7.541 7.308 1.00 43.24 C ATOM 899 NZ LYS A 49 11.004 -8.102 7.720 1.00 54.54 N1+ ATOM 0 H LYS A 49 5.429 -9.102 4.163 1.00 3.35 H new ATOM 0 HA LYS A 49 5.060 -6.872 6.079 1.00 52.41 H new ATOM 0 HB2 LYS A 49 7.499 -8.340 5.053 1.00 41.21 H new ATOM 0 HB3 LYS A 49 7.626 -6.663 5.547 1.00 41.21 H new ATOM 0 HG2 LYS A 49 6.934 -7.177 7.808 1.00 22.14 H new ATOM 0 HG3 LYS A 49 6.436 -8.797 7.362 1.00 22.14 H new ATOM 0 HD2 LYS A 49 8.565 -8.852 8.579 1.00 12.30 H new ATOM 0 HD3 LYS A 49 8.772 -9.446 6.943 1.00 12.30 H new ATOM 0 HE2 LYS A 49 9.747 -7.260 6.255 1.00 43.24 H new ATOM 0 HE3 LYS A 49 9.505 -6.631 7.873 1.00 43.24 H new ATOM 0 HZ1 LYS A 49 11.753 -7.399 7.558 1.00 54.54 H new ATOM 0 HZ2 LYS A 49 10.971 -8.347 8.730 1.00 54.54 H new ATOM 0 HZ3 LYS A 49 11.205 -8.957 7.163 1.00 54.54 H new ATOM 913 N PHE A 50 5.159 -5.146 4.324 1.00 44.13 N ATOM 914 CA PHE A 50 5.211 -4.035 3.384 1.00 1.25 C ATOM 915 C PHE A 50 6.073 -2.940 4.014 1.00 11.43 C ATOM 916 O PHE A 50 5.676 -2.346 5.015 1.00 12.42 O ATOM 917 CB PHE A 50 3.784 -3.532 3.048 1.00 51.44 C ATOM 918 CG PHE A 50 3.443 -3.643 1.575 1.00 4.32 C ATOM 919 CD1 PHE A 50 4.168 -2.892 0.627 1.00 73.22 C ATOM 920 CD2 PHE A 50 2.464 -4.555 1.127 1.00 72.15 C ATOM 921 CE1 PHE A 50 3.907 -3.044 -0.726 1.00 21.11 C ATOM 922 CE2 PHE A 50 2.224 -4.698 -0.234 1.00 61.23 C ATOM 923 CZ PHE A 50 2.944 -3.949 -1.154 1.00 22.42 C ATOM 0 H PHE A 50 4.794 -4.877 5.237 1.00 44.13 H new ATOM 0 HA PHE A 50 5.653 -4.347 2.438 1.00 1.25 H new ATOM 0 HB2 PHE A 50 3.059 -4.104 3.626 1.00 51.44 H new ATOM 0 HB3 PHE A 50 3.690 -2.491 3.359 1.00 51.44 H new ATOM 0 HD1 PHE A 50 4.927 -2.198 0.955 1.00 73.22 H new ATOM 0 HD2 PHE A 50 1.903 -5.140 1.840 1.00 72.15 H new ATOM 0 HE1 PHE A 50 4.454 -2.457 -1.449 1.00 21.11 H new ATOM 0 HE2 PHE A 50 1.474 -5.395 -0.577 1.00 61.23 H new ATOM 0 HZ PHE A 50 2.754 -4.071 -2.210 1.00 22.42 H new ATOM 933 N THR A 51 7.236 -2.703 3.396 1.00 53.25 N ATOM 934 CA THR A 51 8.162 -1.634 3.743 1.00 42.45 C ATOM 935 C THR A 51 8.197 -0.663 2.556 1.00 21.42 C ATOM 936 O THR A 51 8.442 -1.103 1.436 1.00 40.20 O ATOM 937 CB THR A 51 9.583 -2.206 3.982 1.00 72.25 C ATOM 938 OG1 THR A 51 9.565 -2.965 5.175 1.00 1.10 O ATOM 939 CG2 THR A 51 10.721 -1.174 4.082 1.00 30.11 C ATOM 0 H THR A 51 7.563 -3.272 2.616 1.00 53.25 H new ATOM 0 HA THR A 51 7.839 -1.134 4.656 1.00 42.45 H new ATOM 0 HB THR A 51 9.807 -2.797 3.094 1.00 72.25 H new ATOM 0 HG1 THR A 51 10.457 -3.336 5.340 1.00 1.10 H new ATOM 0 HG21 THR A 51 11.666 -1.690 4.249 1.00 30.11 H new ATOM 0 HG22 THR A 51 10.778 -0.604 3.155 1.00 30.11 H new ATOM 0 HG23 THR A 51 10.526 -0.496 4.913 1.00 30.11 H new ATOM 947 N ILE A 52 7.921 0.623 2.817 1.00 41.33 N ATOM 948 CA ILE A 52 7.847 1.678 1.804 1.00 54.14 C ATOM 949 C ILE A 52 8.639 2.898 2.307 1.00 24.44 C ATOM 950 O ILE A 52 8.594 3.208 3.496 1.00 45.15 O ATOM 951 CB ILE A 52 6.375 2.131 1.526 1.00 74.01 C ATOM 952 CG1 ILE A 52 5.453 0.948 1.131 1.00 20.40 C ATOM 953 CG2 ILE A 52 6.282 3.224 0.436 1.00 55.04 C ATOM 954 CD1 ILE A 52 4.659 0.364 2.311 1.00 33.33 C ATOM 0 H ILE A 52 7.739 0.963 3.761 1.00 41.33 H new ATOM 0 HA ILE A 52 8.261 1.279 0.878 1.00 54.14 H new ATOM 0 HB ILE A 52 6.029 2.549 2.472 1.00 74.01 H new ATOM 0 HG12 ILE A 52 4.754 1.283 0.365 1.00 20.40 H new ATOM 0 HG13 ILE A 52 6.059 0.159 0.686 1.00 20.40 H new ATOM 0 HG21 ILE A 52 5.238 3.499 0.285 1.00 55.04 H new ATOM 0 HG22 ILE A 52 6.847 4.101 0.751 1.00 55.04 H new ATOM 0 HG23 ILE A 52 6.695 2.843 -0.498 1.00 55.04 H new ATOM 0 HD11 ILE A 52 4.037 -0.459 1.959 1.00 33.33 H new ATOM 0 HD12 ILE A 52 5.351 -0.003 3.069 1.00 33.33 H new ATOM 0 HD13 ILE A 52 4.026 1.139 2.742 1.00 33.33 H new ATOM 966 N THR A 53 9.315 3.586 1.375 1.00 22.12 N ATOM 967 CA THR A 53 10.025 4.841 1.608 1.00 13.34 C ATOM 968 C THR A 53 9.701 5.867 0.504 1.00 63.33 C ATOM 969 O THR A 53 9.345 5.483 -0.611 1.00 3.11 O ATOM 970 CB THR A 53 11.561 4.607 1.731 1.00 54.14 C ATOM 971 OG1 THR A 53 12.297 5.807 1.869 1.00 44.35 O ATOM 972 CG2 THR A 53 12.210 3.864 0.565 1.00 4.54 C ATOM 0 H THR A 53 9.381 3.269 0.408 1.00 22.12 H new ATOM 0 HA THR A 53 9.680 5.251 2.557 1.00 13.34 H new ATOM 0 HB THR A 53 11.610 3.990 2.628 1.00 54.14 H new ATOM 0 HG1 THR A 53 11.837 6.402 2.497 1.00 44.35 H new ATOM 0 HG21 THR A 53 13.278 3.755 0.752 1.00 4.54 H new ATOM 0 HG22 THR A 53 11.757 2.878 0.465 1.00 4.54 H new ATOM 0 HG23 THR A 53 12.059 4.428 -0.355 1.00 4.54 H new ATOM 980 N ALA A 54 9.821 7.155 0.863 1.00 2.35 N ATOM 981 CA ALA A 54 9.643 8.310 -0.009 1.00 30.14 C ATOM 982 C ALA A 54 10.502 9.465 0.519 1.00 24.35 C ATOM 983 O ALA A 54 10.566 9.668 1.735 1.00 5.40 O ATOM 984 CB ALA A 54 8.156 8.699 -0.060 1.00 75.44 C ATOM 0 H ALA A 54 10.057 7.424 1.818 1.00 2.35 H new ATOM 0 HA ALA A 54 9.961 8.071 -1.024 1.00 30.14 H new ATOM 0 HB1 ALA A 54 8.028 9.562 -0.713 1.00 75.44 H new ATOM 0 HB2 ALA A 54 7.574 7.862 -0.447 1.00 75.44 H new ATOM 0 HB3 ALA A 54 7.810 8.948 0.943 1.00 75.44 H new ATOM 990 N GLY A 55 11.142 10.211 -0.399 1.00 72.42 N ATOM 991 CA GLY A 55 12.101 11.271 -0.078 1.00 34.33 C ATOM 992 C GLY A 55 13.381 10.637 0.473 1.00 33.32 C ATOM 993 O GLY A 55 14.218 10.177 -0.300 1.00 61.42 O ATOM 0 H GLY A 55 11.001 10.088 -1.402 1.00 72.42 H new ATOM 0 HA2 GLY A 55 12.325 11.858 -0.969 1.00 34.33 H new ATOM 0 HA3 GLY A 55 11.674 11.955 0.655 1.00 34.33 H new ATOM 997 N SER A 56 13.518 10.617 1.810 1.00 24.25 N ATOM 998 CA SER A 56 14.633 9.996 2.529 1.00 51.21 C ATOM 999 C SER A 56 14.188 9.476 3.914 1.00 11.32 C ATOM 1000 O SER A 56 14.946 9.588 4.878 1.00 13.10 O ATOM 1001 CB SER A 56 15.844 10.965 2.567 1.00 20.12 C ATOM 1002 OG SER A 56 16.603 10.865 1.379 1.00 2.14 O ATOM 0 H SER A 56 12.834 11.046 2.434 1.00 24.25 H new ATOM 0 HA SER A 56 14.968 9.108 1.993 1.00 51.21 H new ATOM 0 HB2 SER A 56 15.493 11.989 2.694 1.00 20.12 H new ATOM 0 HB3 SER A 56 16.473 10.735 3.427 1.00 20.12 H new ATOM 0 HG SER A 56 16.018 10.600 0.638 1.00 2.14 H new ATOM 1008 N LYS A 57 12.972 8.902 3.997 1.00 73.31 N ATOM 1009 CA LYS A 57 12.416 8.325 5.227 1.00 20.53 C ATOM 1010 C LYS A 57 11.617 7.050 4.922 1.00 63.12 C ATOM 1011 O LYS A 57 10.841 7.034 3.966 1.00 14.45 O ATOM 1012 CB LYS A 57 11.586 9.381 5.996 1.00 73.21 C ATOM 1013 CG LYS A 57 10.389 9.996 5.231 1.00 2.02 C ATOM 1014 CD LYS A 57 9.108 10.123 6.072 1.00 74.54 C ATOM 1015 CE LYS A 57 8.417 8.772 6.333 1.00 51.10 C ATOM 1016 NZ LYS A 57 7.220 8.932 7.177 1.00 41.34 N1+ ATOM 0 H LYS A 57 12.343 8.827 3.198 1.00 73.31 H new ATOM 0 HA LYS A 57 13.237 8.029 5.880 1.00 20.53 H new ATOM 0 HB2 LYS A 57 11.210 8.922 6.910 1.00 73.21 H new ATOM 0 HB3 LYS A 57 12.253 10.189 6.296 1.00 73.21 H new ATOM 0 HG2 LYS A 57 10.672 10.984 4.868 1.00 2.02 H new ATOM 0 HG3 LYS A 57 10.177 9.383 4.355 1.00 2.02 H new ATOM 0 HD2 LYS A 57 9.353 10.589 7.027 1.00 74.54 H new ATOM 0 HD3 LYS A 57 8.411 10.788 5.562 1.00 74.54 H new ATOM 0 HE2 LYS A 57 8.136 8.317 5.383 1.00 51.10 H new ATOM 0 HE3 LYS A 57 9.117 8.092 6.818 1.00 51.10 H new ATOM 0 HZ1 LYS A 57 7.196 8.177 7.892 1.00 41.34 H new ATOM 0 HZ2 LYS A 57 7.251 9.857 7.651 1.00 41.34 H new ATOM 0 HZ3 LYS A 57 6.367 8.875 6.584 1.00 41.34 H new ATOM 1030 N VAL A 58 11.833 6.006 5.742 1.00 22.24 N ATOM 1031 CA VAL A 58 11.312 4.651 5.542 1.00 72.31 C ATOM 1032 C VAL A 58 10.314 4.300 6.665 1.00 12.04 C ATOM 1033 O VAL A 58 10.533 4.687 7.815 1.00 53.43 O ATOM 1034 CB VAL A 58 12.456 3.588 5.611 1.00 15.54 C ATOM 1035 CG1 VAL A 58 12.013 2.191 5.124 1.00 21.52 C ATOM 1036 CG2 VAL A 58 13.741 4.006 4.862 1.00 53.14 C ATOM 0 H VAL A 58 12.395 6.090 6.589 1.00 22.24 H new ATOM 0 HA VAL A 58 10.837 4.633 4.561 1.00 72.31 H new ATOM 0 HB VAL A 58 12.691 3.530 6.674 1.00 15.54 H new ATOM 0 HG11 VAL A 58 12.851 1.498 5.196 1.00 21.52 H new ATOM 0 HG12 VAL A 58 11.191 1.833 5.744 1.00 21.52 H new ATOM 0 HG13 VAL A 58 11.683 2.255 4.087 1.00 21.52 H new ATOM 0 HG21 VAL A 58 14.489 3.218 4.955 1.00 53.14 H new ATOM 0 HG22 VAL A 58 13.512 4.167 3.809 1.00 53.14 H new ATOM 0 HG23 VAL A 58 14.130 4.928 5.294 1.00 53.14 H new ATOM 1046 N ILE A 59 9.267 3.538 6.314 1.00 52.34 N ATOM 1047 CA ILE A 59 8.298 2.940 7.236 1.00 63.31 C ATOM 1048 C ILE A 59 8.231 1.431 6.946 1.00 31.44 C ATOM 1049 O ILE A 59 8.241 1.045 5.779 1.00 30.30 O ATOM 1050 CB ILE A 59 6.873 3.549 7.052 1.00 40.23 C ATOM 1051 CG1 ILE A 59 6.862 5.045 7.435 1.00 32.22 C ATOM 1052 CG2 ILE A 59 5.756 2.809 7.830 1.00 4.45 C ATOM 1053 CD1 ILE A 59 5.663 5.821 6.879 1.00 31.01 C ATOM 0 H ILE A 59 9.067 3.314 5.339 1.00 52.34 H new ATOM 0 HA ILE A 59 8.621 3.140 8.258 1.00 63.31 H new ATOM 0 HB ILE A 59 6.647 3.426 5.993 1.00 40.23 H new ATOM 0 HG12 ILE A 59 6.866 5.132 8.522 1.00 32.22 H new ATOM 0 HG13 ILE A 59 7.781 5.509 7.075 1.00 32.22 H new ATOM 0 HG21 ILE A 59 4.799 3.298 7.646 1.00 4.45 H new ATOM 0 HG22 ILE A 59 5.705 1.773 7.495 1.00 4.45 H new ATOM 0 HG23 ILE A 59 5.977 2.835 8.897 1.00 4.45 H new ATOM 0 HD11 ILE A 59 5.728 6.863 7.192 1.00 31.01 H new ATOM 0 HD12 ILE A 59 5.668 5.768 5.790 1.00 31.01 H new ATOM 0 HD13 ILE A 59 4.739 5.385 7.259 1.00 31.01 H new ATOM 1065 N GLN A 60 8.156 0.622 8.015 1.00 13.05 N ATOM 1066 CA GLN A 60 8.031 -0.834 7.953 1.00 21.24 C ATOM 1067 C GLN A 60 6.733 -1.231 8.667 1.00 24.42 C ATOM 1068 O GLN A 60 6.496 -0.775 9.787 1.00 55.10 O ATOM 1069 CB GLN A 60 9.243 -1.511 8.637 1.00 12.44 C ATOM 1070 CG GLN A 60 10.625 -1.072 8.104 1.00 71.21 C ATOM 1071 CD GLN A 60 11.286 0.000 8.977 1.00 60.43 C ATOM 1072 OE1 GLN A 60 11.422 1.221 8.457 1.00 22.25 O flip ATOM 1073 NE2 GLN A 60 11.683 -0.275 10.107 1.00 2.35 N flip ATOM 0 H GLN A 60 8.182 0.978 8.971 1.00 13.05 H new ATOM 0 HA GLN A 60 8.007 -1.161 6.914 1.00 21.24 H new ATOM 0 HB2 GLN A 60 9.200 -1.303 9.706 1.00 12.44 H new ATOM 0 HB3 GLN A 60 9.151 -2.591 8.518 1.00 12.44 H new ATOM 0 HG2 GLN A 60 11.280 -1.941 8.046 1.00 71.21 H new ATOM 0 HG3 GLN A 60 10.513 -0.689 7.089 1.00 71.21 H new ATOM 0 HE21 GLN A 60 11.563 -1.219 10.474 1.00 2.35 H new ATOM 0 HE22 GLN A 60 12.132 0.441 10.678 1.00 2.35 H new ATOM 1082 N ASN A 61 5.936 -2.095 8.018 1.00 15.02 N ATOM 1083 CA ASN A 61 4.714 -2.686 8.571 1.00 22.04 C ATOM 1084 C ASN A 61 4.696 -4.192 8.305 1.00 12.24 C ATOM 1085 O ASN A 61 5.349 -4.675 7.378 1.00 1.30 O ATOM 1086 CB ASN A 61 3.459 -2.020 7.950 1.00 74.13 C ATOM 1087 CG ASN A 61 3.214 -0.594 8.444 1.00 14.54 C ATOM 1088 OD1 ASN A 61 3.279 0.353 7.665 1.00 4.23 O ATOM 1089 ND2 ASN A 61 2.923 -0.437 9.737 1.00 71.34 N ATOM 0 H ASN A 61 6.133 -2.408 7.067 1.00 15.02 H new ATOM 0 HA ASN A 61 4.700 -2.514 9.647 1.00 22.04 H new ATOM 0 HB2 ASN A 61 3.565 -2.006 6.865 1.00 74.13 H new ATOM 0 HB3 ASN A 61 2.584 -2.630 8.178 1.00 74.13 H new ATOM 0 HD21 ASN A 61 2.745 0.495 10.110 1.00 71.34 H new ATOM 0 HD22 ASN A 61 2.879 -1.249 10.352 1.00 71.34 H new ATOM 1096 N GLU A 62 3.897 -4.883 9.128 1.00 11.32 N ATOM 1097 CA GLU A 62 3.594 -6.304 9.020 1.00 10.11 C ATOM 1098 C GLU A 62 2.094 -6.514 9.287 1.00 4.42 C ATOM 1099 O GLU A 62 1.496 -5.779 10.074 1.00 11.11 O ATOM 1100 CB GLU A 62 4.503 -7.095 9.989 1.00 64.34 C ATOM 1101 CG GLU A 62 4.290 -8.621 9.971 1.00 12.24 C ATOM 1102 CD GLU A 62 5.244 -9.340 10.920 1.00 52.11 C ATOM 1103 OE1 GLU A 62 6.235 -9.906 10.411 1.00 25.35 O ATOM 1104 OE2 GLU A 62 4.961 -9.306 12.137 1.00 52.24 O1- ATOM 0 H GLU A 62 3.427 -4.442 9.919 1.00 11.32 H new ATOM 0 HA GLU A 62 3.800 -6.679 8.017 1.00 10.11 H new ATOM 0 HB2 GLU A 62 5.544 -6.884 9.743 1.00 64.34 H new ATOM 0 HB3 GLU A 62 4.335 -6.730 11.002 1.00 64.34 H new ATOM 0 HG2 GLU A 62 3.261 -8.847 10.250 1.00 12.24 H new ATOM 0 HG3 GLU A 62 4.435 -8.996 8.958 1.00 12.24 H new ATOM 1111 N PHE A 63 1.531 -7.535 8.630 1.00 45.12 N ATOM 1112 CA PHE A 63 0.147 -7.975 8.780 1.00 45.42 C ATOM 1113 C PHE A 63 0.038 -9.468 8.459 1.00 52.20 C ATOM 1114 O PHE A 63 0.879 -10.000 7.739 1.00 63.22 O ATOM 1115 CB PHE A 63 -0.790 -7.119 7.898 1.00 33.31 C ATOM 1116 CG PHE A 63 -0.570 -7.142 6.395 1.00 72.14 C ATOM 1117 CD1 PHE A 63 0.359 -6.262 5.804 1.00 42.32 C ATOM 1118 CD2 PHE A 63 -1.205 -8.113 5.590 1.00 4.21 C ATOM 1119 CE1 PHE A 63 0.569 -6.295 4.434 1.00 33.11 C ATOM 1120 CE2 PHE A 63 -0.977 -8.132 4.221 1.00 1.52 C ATOM 1121 CZ PHE A 63 -0.110 -7.213 3.642 1.00 51.51 C ATOM 0 H PHE A 63 2.050 -8.096 7.955 1.00 45.12 H new ATOM 0 HA PHE A 63 -0.170 -7.835 9.814 1.00 45.42 H new ATOM 0 HB2 PHE A 63 -1.814 -7.438 8.091 1.00 33.31 H new ATOM 0 HB3 PHE A 63 -0.710 -6.084 8.232 1.00 33.31 H new ATOM 0 HD1 PHE A 63 0.907 -5.562 6.418 1.00 42.32 H new ATOM 0 HD2 PHE A 63 -1.867 -8.839 6.039 1.00 4.21 H new ATOM 0 HE1 PHE A 63 1.264 -5.604 3.980 1.00 33.11 H new ATOM 0 HE2 PHE A 63 -1.476 -8.864 3.603 1.00 1.52 H new ATOM 0 HZ PHE A 63 0.037 -7.212 2.572 1.00 51.51 H new ATOM 1131 N THR A 64 -1.017 -10.102 8.985 1.00 74.12 N ATOM 1132 CA THR A 64 -1.407 -11.476 8.664 1.00 13.51 C ATOM 1133 C THR A 64 -2.654 -11.421 7.771 1.00 22.02 C ATOM 1134 O THR A 64 -3.605 -10.707 8.092 1.00 1.35 O ATOM 1135 CB THR A 64 -1.759 -12.329 9.921 1.00 73.13 C ATOM 1136 OG1 THR A 64 -1.644 -11.574 11.115 1.00 42.04 O ATOM 1137 CG2 THR A 64 -0.821 -13.532 10.095 1.00 4.13 C ATOM 0 H THR A 64 -1.638 -9.660 9.663 1.00 74.12 H new ATOM 0 HA THR A 64 -0.555 -11.948 8.174 1.00 13.51 H new ATOM 0 HB THR A 64 -2.784 -12.660 9.754 1.00 73.13 H new ATOM 0 HG1 THR A 64 -2.209 -11.972 11.810 1.00 42.04 H new ATOM 0 HG21 THR A 64 -1.109 -14.092 10.984 1.00 4.13 H new ATOM 0 HG22 THR A 64 -0.892 -14.178 9.220 1.00 4.13 H new ATOM 0 HG23 THR A 64 0.205 -13.181 10.204 1.00 4.13 H new ATOM 1145 N VAL A 65 -2.613 -12.171 6.658 1.00 11.41 N ATOM 1146 CA VAL A 65 -3.669 -12.218 5.648 1.00 33.33 C ATOM 1147 C VAL A 65 -4.929 -12.907 6.215 1.00 61.03 C ATOM 1148 O VAL A 65 -4.889 -14.099 6.513 1.00 22.11 O ATOM 1149 CB VAL A 65 -3.182 -12.960 4.366 1.00 72.44 C ATOM 1150 CG1 VAL A 65 -4.273 -13.154 3.290 1.00 42.20 C ATOM 1151 CG2 VAL A 65 -1.975 -12.242 3.728 1.00 40.35 C ATOM 0 H VAL A 65 -1.822 -12.775 6.435 1.00 11.41 H new ATOM 0 HA VAL A 65 -3.921 -11.193 5.376 1.00 33.33 H new ATOM 0 HB VAL A 65 -2.895 -13.952 4.716 1.00 72.44 H new ATOM 0 HG11 VAL A 65 -3.850 -13.678 2.433 1.00 42.20 H new ATOM 0 HG12 VAL A 65 -5.093 -13.740 3.705 1.00 42.20 H new ATOM 0 HG13 VAL A 65 -4.647 -12.181 2.972 1.00 42.20 H new ATOM 0 HG21 VAL A 65 -1.659 -12.784 2.836 1.00 40.35 H new ATOM 0 HG22 VAL A 65 -2.259 -11.226 3.454 1.00 40.35 H new ATOM 0 HG23 VAL A 65 -1.153 -12.208 4.442 1.00 40.35 H new ATOM 1161 N GLY A 66 -6.010 -12.125 6.369 1.00 55.35 N ATOM 1162 CA GLY A 66 -7.293 -12.585 6.905 1.00 0.44 C ATOM 1163 C GLY A 66 -7.491 -12.220 8.383 1.00 33.05 C ATOM 1164 O GLY A 66 -8.617 -12.337 8.863 1.00 40.34 O ATOM 0 H GLY A 66 -6.012 -11.136 6.118 1.00 55.35 H new ATOM 0 HA2 GLY A 66 -8.102 -12.151 6.318 1.00 0.44 H new ATOM 0 HA3 GLY A 66 -7.361 -13.667 6.791 1.00 0.44 H new ATOM 1168 N GLU A 67 -6.446 -11.757 9.091 1.00 70.23 N ATOM 1169 CA GLU A 67 -6.538 -11.278 10.473 1.00 22.42 C ATOM 1170 C GLU A 67 -6.647 -9.746 10.494 1.00 3.42 C ATOM 1171 O GLU A 67 -6.015 -9.071 9.679 1.00 51.32 O ATOM 1172 CB GLU A 67 -5.311 -11.750 11.280 1.00 4.45 C ATOM 1173 CG GLU A 67 -5.214 -13.289 11.395 1.00 21.52 C ATOM 1174 CD GLU A 67 -4.043 -13.797 12.246 1.00 43.40 C ATOM 1175 OE1 GLU A 67 -3.357 -12.964 12.879 1.00 55.24 O ATOM 1176 OE2 GLU A 67 -3.839 -15.029 12.232 1.00 21.22 O1- ATOM 0 H GLU A 67 -5.501 -11.706 8.709 1.00 70.23 H new ATOM 0 HA GLU A 67 -7.434 -11.693 10.935 1.00 22.42 H new ATOM 0 HB2 GLU A 67 -4.405 -11.369 10.808 1.00 4.45 H new ATOM 0 HB3 GLU A 67 -5.354 -11.319 12.280 1.00 4.45 H new ATOM 0 HG2 GLU A 67 -6.144 -13.667 11.819 1.00 21.52 H new ATOM 0 HG3 GLU A 67 -5.126 -13.710 10.393 1.00 21.52 H new ATOM 1183 N GLU A 68 -7.438 -9.235 11.452 1.00 62.04 N ATOM 1184 CA GLU A 68 -7.584 -7.806 11.734 1.00 12.35 C ATOM 1185 C GLU A 68 -6.335 -7.261 12.441 1.00 34.40 C ATOM 1186 O GLU A 68 -5.829 -7.890 13.371 1.00 15.45 O ATOM 1187 CB GLU A 68 -8.853 -7.564 12.576 1.00 64.11 C ATOM 1188 CG GLU A 68 -10.151 -7.818 11.786 1.00 10.43 C ATOM 1189 CD GLU A 68 -11.432 -7.634 12.604 1.00 23.43 C ATOM 1190 OE1 GLU A 68 -11.389 -6.896 13.613 1.00 32.13 O ATOM 1191 OE2 GLU A 68 -12.448 -8.231 12.187 1.00 13.42 O1- ATOM 0 H GLU A 68 -8.005 -9.822 12.064 1.00 62.04 H new ATOM 0 HA GLU A 68 -7.689 -7.268 10.792 1.00 12.35 H new ATOM 0 HB2 GLU A 68 -8.832 -8.214 13.451 1.00 64.11 H new ATOM 0 HB3 GLU A 68 -8.851 -6.537 12.942 1.00 64.11 H new ATOM 0 HG2 GLU A 68 -10.180 -7.143 10.931 1.00 10.43 H new ATOM 0 HG3 GLU A 68 -10.129 -8.833 11.390 1.00 10.43 H new ATOM 1198 N CYS A 69 -5.867 -6.097 11.969 1.00 13.21 N ATOM 1199 CA CYS A 69 -4.605 -5.478 12.368 1.00 70.35 C ATOM 1200 C CYS A 69 -4.589 -4.005 11.924 1.00 60.52 C ATOM 1201 O CYS A 69 -5.355 -3.621 11.040 1.00 3.44 O ATOM 1202 CB CYS A 69 -3.387 -6.272 11.839 1.00 55.14 C ATOM 1203 SG CYS A 69 -3.400 -6.373 10.028 1.00 2.14 S ATOM 0 H CYS A 69 -6.376 -5.547 11.277 1.00 13.21 H new ATOM 0 HA CYS A 69 -4.526 -5.503 13.455 1.00 70.35 H new ATOM 0 HB2 CYS A 69 -2.466 -5.793 12.172 1.00 55.14 H new ATOM 0 HB3 CYS A 69 -3.394 -7.277 12.261 1.00 55.14 H new ATOM 0 HG CYS A 69 -3.443 -7.620 9.663 1.00 2.14 H new ATOM 1209 N GLU A 70 -3.716 -3.210 12.560 1.00 1.31 N ATOM 1210 CA GLU A 70 -3.673 -1.755 12.423 1.00 5.34 C ATOM 1211 C GLU A 70 -2.403 -1.336 11.661 1.00 21.04 C ATOM 1212 O GLU A 70 -1.296 -1.577 12.142 1.00 4.41 O ATOM 1213 CB GLU A 70 -3.809 -1.162 13.840 1.00 62.11 C ATOM 1214 CG GLU A 70 -4.118 0.342 13.876 1.00 33.43 C ATOM 1215 CD GLU A 70 -4.465 0.796 15.294 1.00 43.03 C ATOM 1216 OE1 GLU A 70 -3.527 0.863 16.117 1.00 55.11 O ATOM 1217 OE2 GLU A 70 -5.666 1.042 15.540 1.00 1.21 O1- ATOM 0 H GLU A 70 -3.007 -3.573 13.197 1.00 1.31 H new ATOM 0 HA GLU A 70 -4.494 -1.362 11.823 1.00 5.34 H new ATOM 0 HB2 GLU A 70 -4.600 -1.695 14.368 1.00 62.11 H new ATOM 0 HB3 GLU A 70 -2.883 -1.343 14.386 1.00 62.11 H new ATOM 0 HG2 GLU A 70 -3.257 0.903 13.511 1.00 33.43 H new ATOM 0 HG3 GLU A 70 -4.949 0.562 13.206 1.00 33.43 H new ATOM 1224 N LEU A 71 -2.605 -0.760 10.464 1.00 63.25 N ATOM 1225 CA LEU A 71 -1.566 -0.433 9.484 1.00 51.44 C ATOM 1226 C LEU A 71 -1.273 1.072 9.500 1.00 52.25 C ATOM 1227 O LEU A 71 -2.208 1.872 9.487 1.00 41.12 O ATOM 1228 CB LEU A 71 -2.041 -0.827 8.061 1.00 12.12 C ATOM 1229 CG LEU A 71 -2.072 -2.339 7.742 1.00 31.25 C ATOM 1230 CD1 LEU A 71 -0.689 -3.009 7.868 1.00 13.24 C ATOM 1231 CD2 LEU A 71 -3.181 -3.097 8.491 1.00 11.34 C ATOM 0 H LEU A 71 -3.538 -0.500 10.143 1.00 63.25 H new ATOM 0 HA LEU A 71 -0.663 -0.985 9.745 1.00 51.44 H new ATOM 0 HB2 LEU A 71 -3.043 -0.426 7.912 1.00 12.12 H new ATOM 0 HB3 LEU A 71 -1.391 -0.338 7.336 1.00 12.12 H new ATOM 0 HG LEU A 71 -2.339 -2.408 6.687 1.00 31.25 H new ATOM 0 HD11 LEU A 71 -0.776 -4.070 7.632 1.00 13.24 H new ATOM 0 HD12 LEU A 71 0.008 -2.539 7.174 1.00 13.24 H new ATOM 0 HD13 LEU A 71 -0.320 -2.893 8.887 1.00 13.24 H new ATOM 0 HD21 LEU A 71 -3.146 -4.153 8.221 1.00 11.34 H new ATOM 0 HD22 LEU A 71 -3.032 -2.992 9.566 1.00 11.34 H new ATOM 0 HD23 LEU A 71 -4.152 -2.685 8.218 1.00 11.34 H new ATOM 1243 N GLU A 72 0.024 1.416 9.463 1.00 31.40 N ATOM 1244 CA GLU A 72 0.524 2.791 9.393 1.00 14.02 C ATOM 1245 C GLU A 72 0.493 3.325 7.945 1.00 21.53 C ATOM 1246 O GLU A 72 0.553 2.546 6.995 1.00 23.03 O ATOM 1247 CB GLU A 72 1.945 2.811 9.999 1.00 41.41 C ATOM 1248 CG GLU A 72 2.482 4.215 10.334 1.00 41.14 C ATOM 1249 CD GLU A 72 3.851 4.179 11.013 1.00 41.24 C ATOM 1250 OE1 GLU A 72 4.746 4.905 10.527 1.00 4.01 O ATOM 1251 OE2 GLU A 72 3.974 3.441 12.016 1.00 22.04 O1- ATOM 0 H GLU A 72 0.772 0.723 9.482 1.00 31.40 H new ATOM 0 HA GLU A 72 -0.119 3.459 9.966 1.00 14.02 H new ATOM 0 HB2 GLU A 72 1.946 2.210 10.908 1.00 41.41 H new ATOM 0 HB3 GLU A 72 2.630 2.332 9.300 1.00 41.41 H new ATOM 0 HG2 GLU A 72 2.551 4.801 9.417 1.00 41.14 H new ATOM 0 HG3 GLU A 72 1.772 4.725 10.985 1.00 41.14 H new ATOM 1258 N THR A 73 0.415 4.659 7.825 1.00 53.10 N ATOM 1259 CA THR A 73 0.433 5.429 6.575 1.00 22.32 C ATOM 1260 C THR A 73 1.681 6.346 6.557 1.00 73.14 C ATOM 1261 O THR A 73 2.341 6.474 7.587 1.00 51.31 O ATOM 1262 CB THR A 73 -0.850 6.309 6.490 1.00 61.01 C ATOM 1263 OG1 THR A 73 -1.991 5.498 6.702 1.00 25.44 O ATOM 1264 CG2 THR A 73 -1.080 7.044 5.155 1.00 13.44 C ATOM 0 H THR A 73 0.333 5.262 8.644 1.00 53.10 H new ATOM 0 HA THR A 73 0.465 4.746 5.726 1.00 22.32 H new ATOM 0 HB THR A 73 -0.698 7.072 7.254 1.00 61.01 H new ATOM 0 HG1 THR A 73 -2.118 5.357 7.663 1.00 25.44 H new ATOM 0 HG21 THR A 73 -2.001 7.624 5.213 1.00 13.44 H new ATOM 0 HG22 THR A 73 -0.242 7.713 4.959 1.00 13.44 H new ATOM 0 HG23 THR A 73 -1.160 6.316 4.348 1.00 13.44 H new ATOM 1272 N MET A 74 2.007 6.976 5.411 1.00 65.23 N ATOM 1273 CA MET A 74 3.130 7.922 5.257 1.00 15.22 C ATOM 1274 C MET A 74 3.137 9.100 6.255 1.00 61.53 C ATOM 1275 O MET A 74 4.213 9.541 6.661 1.00 63.41 O ATOM 1276 CB MET A 74 3.212 8.456 3.810 1.00 4.31 C ATOM 1277 CG MET A 74 3.426 7.367 2.743 1.00 63.10 C ATOM 1278 SD MET A 74 1.918 6.589 2.100 1.00 71.13 S ATOM 1279 CE MET A 74 1.382 7.862 0.927 1.00 42.32 C ATOM 0 H MET A 74 1.484 6.838 4.546 1.00 65.23 H new ATOM 0 HA MET A 74 4.016 7.332 5.492 1.00 15.22 H new ATOM 0 HB2 MET A 74 2.293 8.996 3.582 1.00 4.31 H new ATOM 0 HB3 MET A 74 4.028 9.176 3.747 1.00 4.31 H new ATOM 0 HG2 MET A 74 3.972 7.805 1.907 1.00 63.10 H new ATOM 0 HG3 MET A 74 4.062 6.589 3.166 1.00 63.10 H new ATOM 0 HE1 MET A 74 0.461 7.543 0.439 1.00 42.32 H new ATOM 0 HE2 MET A 74 1.205 8.796 1.460 1.00 42.32 H new ATOM 0 HE3 MET A 74 2.157 8.014 0.175 1.00 42.32 H new ATOM 1289 N THR A 75 1.934 9.548 6.643 1.00 42.10 N ATOM 1290 CA THR A 75 1.652 10.584 7.638 1.00 73.34 C ATOM 1291 C THR A 75 1.790 10.103 9.104 1.00 4.34 C ATOM 1292 O THR A 75 1.776 10.946 10.002 1.00 65.22 O ATOM 1293 CB THR A 75 0.187 11.060 7.451 1.00 44.22 C ATOM 1294 OG1 THR A 75 -0.708 9.967 7.557 1.00 73.25 O ATOM 1295 CG2 THR A 75 -0.065 11.742 6.098 1.00 62.31 C ATOM 0 H THR A 75 1.077 9.168 6.241 1.00 42.10 H new ATOM 0 HA THR A 75 2.386 11.373 7.476 1.00 73.34 H new ATOM 0 HB THR A 75 0.016 11.791 8.241 1.00 44.22 H new ATOM 0 HG1 THR A 75 -1.605 10.251 7.283 1.00 73.25 H new ATOM 0 HG21 THR A 75 -1.109 12.049 6.034 1.00 62.31 H new ATOM 0 HG22 THR A 75 0.578 12.618 6.007 1.00 62.31 H new ATOM 0 HG23 THR A 75 0.157 11.043 5.291 1.00 62.31 H new ATOM 1303 N GLY A 76 1.917 8.783 9.332 1.00 3.43 N ATOM 1304 CA GLY A 76 1.988 8.170 10.658 1.00 13.34 C ATOM 1305 C GLY A 76 0.597 7.814 11.214 1.00 34.01 C ATOM 1306 O GLY A 76 0.527 7.288 12.323 1.00 72.12 O ATOM 0 H GLY A 76 1.974 8.101 8.575 1.00 3.43 H new ATOM 0 HA2 GLY A 76 2.598 7.268 10.606 1.00 13.34 H new ATOM 0 HA3 GLY A 76 2.487 8.853 11.345 1.00 13.34 H new ATOM 1310 N GLU A 77 -0.491 8.079 10.465 1.00 2.11 N ATOM 1311 CA GLU A 77 -1.877 7.704 10.781 1.00 62.44 C ATOM 1312 C GLU A 77 -2.044 6.175 10.760 1.00 4.12 C ATOM 1313 O GLU A 77 -1.687 5.553 9.759 1.00 42.31 O ATOM 1314 CB GLU A 77 -2.814 8.353 9.734 1.00 1.33 C ATOM 1315 CG GLU A 77 -2.904 9.893 9.791 1.00 21.25 C ATOM 1316 CD GLU A 77 -3.834 10.400 10.889 1.00 24.55 C ATOM 1317 OE1 GLU A 77 -3.334 10.619 12.013 1.00 34.11 O ATOM 1318 OE2 GLU A 77 -5.033 10.564 10.577 1.00 2.32 O1- ATOM 0 H GLU A 77 -0.421 8.585 9.582 1.00 2.11 H new ATOM 0 HA GLU A 77 -2.130 8.057 11.781 1.00 62.44 H new ATOM 0 HB2 GLU A 77 -2.476 8.062 8.739 1.00 1.33 H new ATOM 0 HB3 GLU A 77 -3.815 7.942 9.863 1.00 1.33 H new ATOM 0 HG2 GLU A 77 -1.907 10.303 9.950 1.00 21.25 H new ATOM 0 HG3 GLU A 77 -3.252 10.266 8.828 1.00 21.25 H new ATOM 1325 N LYS A 78 -2.570 5.603 11.856 1.00 34.45 N ATOM 1326 CA LYS A 78 -2.658 4.153 12.059 1.00 62.24 C ATOM 1327 C LYS A 78 -4.137 3.737 12.048 1.00 52.53 C ATOM 1328 O LYS A 78 -4.912 4.236 12.865 1.00 41.41 O ATOM 1329 CB LYS A 78 -1.932 3.758 13.367 1.00 24.04 C ATOM 1330 CG LYS A 78 -0.523 4.380 13.475 1.00 12.42 C ATOM 1331 CD LYS A 78 0.407 3.748 14.520 1.00 34.14 C ATOM 1332 CE LYS A 78 1.029 2.427 14.050 1.00 51.30 C ATOM 1333 NZ LYS A 78 2.100 1.987 14.959 1.00 3.34 N1+ ATOM 0 H LYS A 78 -2.950 6.144 12.633 1.00 34.45 H new ATOM 0 HA LYS A 78 -2.158 3.619 11.251 1.00 62.24 H new ATOM 0 HB2 LYS A 78 -2.531 4.075 14.221 1.00 24.04 H new ATOM 0 HB3 LYS A 78 -1.851 2.672 13.420 1.00 24.04 H new ATOM 0 HG2 LYS A 78 -0.041 4.313 12.500 1.00 12.42 H new ATOM 0 HG3 LYS A 78 -0.631 5.440 13.706 1.00 12.42 H new ATOM 0 HD2 LYS A 78 1.203 4.452 14.762 1.00 34.14 H new ATOM 0 HD3 LYS A 78 -0.154 3.573 15.438 1.00 34.14 H new ATOM 0 HE2 LYS A 78 0.258 1.659 13.995 1.00 51.30 H new ATOM 0 HE3 LYS A 78 1.430 2.549 13.044 1.00 51.30 H new ATOM 0 HZ1 LYS A 78 2.501 1.091 14.615 1.00 3.34 H new ATOM 0 HZ2 LYS A 78 2.846 2.711 14.992 1.00 3.34 H new ATOM 0 HZ3 LYS A 78 1.710 1.848 15.913 1.00 3.34 H new ATOM 1347 N VAL A 79 -4.499 2.866 11.092 1.00 4.14 N ATOM 1348 CA VAL A 79 -5.882 2.527 10.739 1.00 74.43 C ATOM 1349 C VAL A 79 -6.084 1.006 10.600 1.00 74.30 C ATOM 1350 O VAL A 79 -5.315 0.337 9.906 1.00 24.50 O ATOM 1351 CB VAL A 79 -6.309 3.215 9.405 1.00 63.22 C ATOM 1352 CG1 VAL A 79 -6.727 4.676 9.634 1.00 32.44 C ATOM 1353 CG2 VAL A 79 -5.247 3.141 8.286 1.00 71.32 C ATOM 0 H VAL A 79 -3.814 2.364 10.527 1.00 4.14 H new ATOM 0 HA VAL A 79 -6.505 2.892 11.555 1.00 74.43 H new ATOM 0 HB VAL A 79 -7.167 2.640 9.057 1.00 63.22 H new ATOM 0 HG11 VAL A 79 -7.018 5.124 8.684 1.00 32.44 H new ATOM 0 HG12 VAL A 79 -7.570 4.709 10.324 1.00 32.44 H new ATOM 0 HG13 VAL A 79 -5.890 5.232 10.056 1.00 32.44 H new ATOM 0 HG21 VAL A 79 -5.623 3.642 7.394 1.00 71.32 H new ATOM 0 HG22 VAL A 79 -4.332 3.631 8.620 1.00 71.32 H new ATOM 0 HG23 VAL A 79 -5.035 2.097 8.054 1.00 71.32 H new ATOM 1363 N LYS A 80 -7.131 0.494 11.275 1.00 63.33 N ATOM 1364 CA LYS A 80 -7.521 -0.919 11.284 1.00 34.21 C ATOM 1365 C LYS A 80 -8.181 -1.380 9.980 1.00 52.24 C ATOM 1366 O LYS A 80 -8.989 -0.644 9.413 1.00 75.41 O ATOM 1367 CB LYS A 80 -8.436 -1.215 12.489 1.00 34.34 C ATOM 1368 CG LYS A 80 -7.649 -1.420 13.791 1.00 31.13 C ATOM 1369 CD LYS A 80 -8.550 -1.787 14.977 1.00 52.13 C ATOM 1370 CE LYS A 80 -7.744 -2.091 16.247 1.00 31.42 C ATOM 1371 NZ LYS A 80 -8.631 -2.421 17.375 1.00 4.01 N1+ ATOM 0 H LYS A 80 -7.745 1.075 11.846 1.00 63.33 H new ATOM 0 HA LYS A 80 -6.598 -1.492 11.376 1.00 34.21 H new ATOM 0 HB2 LYS A 80 -9.138 -0.391 12.619 1.00 34.34 H new ATOM 0 HB3 LYS A 80 -9.027 -2.107 12.281 1.00 34.34 H new ATOM 0 HG2 LYS A 80 -6.910 -2.208 13.644 1.00 31.13 H new ATOM 0 HG3 LYS A 80 -7.100 -0.508 14.026 1.00 31.13 H new ATOM 0 HD2 LYS A 80 -9.240 -0.966 15.174 1.00 52.13 H new ATOM 0 HD3 LYS A 80 -9.155 -2.656 14.716 1.00 52.13 H new ATOM 0 HE2 LYS A 80 -7.065 -2.923 16.059 1.00 31.42 H new ATOM 0 HE3 LYS A 80 -7.128 -1.229 16.505 1.00 31.42 H new ATOM 0 HZ1 LYS A 80 -8.058 -2.622 18.220 1.00 4.01 H new ATOM 0 HZ2 LYS A 80 -9.262 -1.617 17.567 1.00 4.01 H new ATOM 0 HZ3 LYS A 80 -9.200 -3.258 17.136 1.00 4.01 H new ATOM 1385 N THR A 81 -7.853 -2.624 9.589 1.00 10.31 N ATOM 1386 CA THR A 81 -8.398 -3.322 8.427 1.00 71.10 C ATOM 1387 C THR A 81 -7.887 -4.786 8.380 1.00 11.10 C ATOM 1388 O THR A 81 -7.073 -5.190 9.210 1.00 2.42 O ATOM 1389 CB THR A 81 -8.046 -2.586 7.096 1.00 64.15 C ATOM 1390 OG1 THR A 81 -8.757 -3.133 6.004 1.00 65.32 O ATOM 1391 CG2 THR A 81 -6.549 -2.597 6.732 1.00 11.32 C ATOM 0 H THR A 81 -7.173 -3.187 10.099 1.00 10.31 H new ATOM 0 HA THR A 81 -9.483 -3.328 8.529 1.00 71.10 H new ATOM 0 HB THR A 81 -8.336 -1.552 7.283 1.00 64.15 H new ATOM 0 HG1 THR A 81 -8.797 -2.476 5.278 1.00 65.32 H new ATOM 0 HG21 THR A 81 -6.399 -2.063 5.794 1.00 11.32 H new ATOM 0 HG22 THR A 81 -5.979 -2.109 7.522 1.00 11.32 H new ATOM 0 HG23 THR A 81 -6.209 -3.627 6.622 1.00 11.32 H new ATOM 1399 N VAL A 82 -8.375 -5.539 7.383 1.00 12.10 N ATOM 1400 CA VAL A 82 -7.876 -6.841 6.945 1.00 65.00 C ATOM 1401 C VAL A 82 -7.379 -6.693 5.491 1.00 15.30 C ATOM 1402 O VAL A 82 -7.952 -5.911 4.728 1.00 20.31 O ATOM 1403 CB VAL A 82 -9.027 -7.892 6.940 1.00 43.35 C ATOM 1404 CG1 VAL A 82 -8.607 -9.284 6.430 1.00 44.21 C ATOM 1405 CG2 VAL A 82 -9.668 -8.041 8.328 1.00 75.14 C ATOM 0 H VAL A 82 -9.176 -5.233 6.831 1.00 12.10 H new ATOM 0 HA VAL A 82 -7.084 -7.167 7.619 1.00 65.00 H new ATOM 0 HB VAL A 82 -9.755 -7.492 6.234 1.00 43.35 H new ATOM 0 HG11 VAL A 82 -9.465 -9.956 6.458 1.00 44.21 H new ATOM 0 HG12 VAL A 82 -8.244 -9.202 5.405 1.00 44.21 H new ATOM 0 HG13 VAL A 82 -7.815 -9.680 7.065 1.00 44.21 H new ATOM 0 HG21 VAL A 82 -10.466 -8.782 8.283 1.00 75.14 H new ATOM 0 HG22 VAL A 82 -8.913 -8.364 9.045 1.00 75.14 H new ATOM 0 HG23 VAL A 82 -10.081 -7.083 8.643 1.00 75.14 H new ATOM 1415 N VAL A 83 -6.356 -7.479 5.121 1.00 41.31 N ATOM 1416 CA VAL A 83 -5.894 -7.613 3.738 1.00 54.31 C ATOM 1417 C VAL A 83 -6.196 -9.046 3.252 1.00 42.34 C ATOM 1418 O VAL A 83 -6.009 -9.999 4.014 1.00 72.03 O ATOM 1419 CB VAL A 83 -4.364 -7.365 3.613 1.00 63.10 C ATOM 1420 CG1 VAL A 83 -3.853 -7.452 2.157 1.00 45.23 C ATOM 1421 CG2 VAL A 83 -3.943 -6.014 4.222 1.00 52.03 C ATOM 0 H VAL A 83 -5.824 -8.043 5.783 1.00 41.31 H new ATOM 0 HA VAL A 83 -6.413 -6.868 3.135 1.00 54.31 H new ATOM 0 HB VAL A 83 -3.901 -8.171 4.182 1.00 63.10 H new ATOM 0 HG11 VAL A 83 -2.779 -7.270 2.137 1.00 45.23 H new ATOM 0 HG12 VAL A 83 -4.060 -8.445 1.757 1.00 45.23 H new ATOM 0 HG13 VAL A 83 -4.359 -6.703 1.548 1.00 45.23 H new ATOM 0 HG21 VAL A 83 -2.866 -5.885 4.111 1.00 52.03 H new ATOM 0 HG22 VAL A 83 -4.460 -5.205 3.706 1.00 52.03 H new ATOM 0 HG23 VAL A 83 -4.204 -5.995 5.280 1.00 52.03 H new ATOM 1431 N GLN A 84 -6.648 -9.161 1.994 1.00 61.33 N ATOM 1432 CA GLN A 84 -6.927 -10.423 1.303 1.00 41.54 C ATOM 1433 C GLN A 84 -6.223 -10.475 -0.055 1.00 4.15 C ATOM 1434 O GLN A 84 -5.937 -9.429 -0.630 1.00 61.00 O ATOM 1435 CB GLN A 84 -8.456 -10.607 1.147 1.00 50.45 C ATOM 1436 CG GLN A 84 -9.163 -11.107 2.422 1.00 14.11 C ATOM 1437 CD GLN A 84 -8.767 -12.542 2.777 1.00 70.34 C ATOM 1438 OE1 GLN A 84 -9.277 -13.495 2.197 1.00 4.12 O ATOM 1439 NE2 GLN A 84 -7.843 -12.703 3.723 1.00 32.13 N ATOM 0 H GLN A 84 -6.835 -8.345 1.411 1.00 61.33 H new ATOM 0 HA GLN A 84 -6.535 -11.245 1.902 1.00 41.54 H new ATOM 0 HB2 GLN A 84 -8.897 -9.656 0.849 1.00 50.45 H new ATOM 0 HB3 GLN A 84 -8.646 -11.313 0.339 1.00 50.45 H new ATOM 0 HG2 GLN A 84 -8.917 -10.447 3.254 1.00 14.11 H new ATOM 0 HG3 GLN A 84 -10.243 -11.054 2.281 1.00 14.11 H new ATOM 0 HE21 GLN A 84 -7.439 -11.888 4.185 1.00 32.13 H new ATOM 0 HE22 GLN A 84 -7.539 -13.641 3.985 1.00 32.13 H new ATOM 1448 N LEU A 85 -5.979 -11.705 -0.535 1.00 40.43 N ATOM 1449 CA LEU A 85 -5.338 -12.011 -1.814 1.00 51.31 C ATOM 1450 C LEU A 85 -6.393 -12.698 -2.697 1.00 54.41 C ATOM 1451 O LEU A 85 -6.881 -13.765 -2.324 1.00 41.12 O ATOM 1452 CB LEU A 85 -4.099 -12.903 -1.512 1.00 65.52 C ATOM 1453 CG LEU A 85 -3.039 -13.100 -2.624 1.00 33.43 C ATOM 1454 CD1 LEU A 85 -3.537 -13.905 -3.836 1.00 3.42 C ATOM 1455 CD2 LEU A 85 -2.324 -11.802 -3.038 1.00 64.25 C ATOM 0 H LEU A 85 -6.236 -12.545 -0.017 1.00 40.43 H new ATOM 0 HA LEU A 85 -4.982 -11.131 -2.350 1.00 51.31 H new ATOM 0 HB2 LEU A 85 -3.593 -12.483 -0.643 1.00 65.52 H new ATOM 0 HB3 LEU A 85 -4.463 -13.889 -1.223 1.00 65.52 H new ATOM 0 HG LEU A 85 -2.281 -13.724 -2.151 1.00 33.43 H new ATOM 0 HD11 LEU A 85 -2.734 -13.996 -4.567 1.00 3.42 H new ATOM 0 HD12 LEU A 85 -3.846 -14.898 -3.511 1.00 3.42 H new ATOM 0 HD13 LEU A 85 -4.384 -13.392 -4.290 1.00 3.42 H new ATOM 0 HD21 LEU A 85 -1.597 -12.021 -3.820 1.00 64.25 H new ATOM 0 HD22 LEU A 85 -3.056 -11.087 -3.413 1.00 64.25 H new ATOM 0 HD23 LEU A 85 -1.811 -11.378 -2.175 1.00 64.25 H new ATOM 1467 N GLU A 86 -6.744 -12.069 -3.835 1.00 40.40 N ATOM 1468 CA GLU A 86 -7.836 -12.501 -4.724 1.00 12.40 C ATOM 1469 C GLU A 86 -7.450 -13.588 -5.756 1.00 63.23 C ATOM 1470 O GLU A 86 -8.222 -13.835 -6.681 1.00 40.13 O ATOM 1471 CB GLU A 86 -8.506 -11.260 -5.361 1.00 41.14 C ATOM 1472 CG GLU A 86 -7.619 -10.453 -6.331 1.00 61.31 C ATOM 1473 CD GLU A 86 -8.333 -9.223 -6.901 1.00 51.24 C ATOM 1474 OE1 GLU A 86 -7.707 -8.140 -6.877 1.00 61.21 O ATOM 1475 OE2 GLU A 86 -9.489 -9.379 -7.350 1.00 12.13 O1- ATOM 0 H GLU A 86 -6.267 -11.231 -4.167 1.00 40.40 H new ATOM 0 HA GLU A 86 -8.567 -13.016 -4.101 1.00 12.40 H new ATOM 0 HB2 GLU A 86 -9.398 -11.585 -5.896 1.00 41.14 H new ATOM 0 HB3 GLU A 86 -8.837 -10.597 -4.562 1.00 41.14 H new ATOM 0 HG2 GLU A 86 -6.715 -10.135 -5.811 1.00 61.31 H new ATOM 0 HG3 GLU A 86 -7.305 -11.098 -7.151 1.00 61.31 H new ATOM 1482 N GLY A 87 -6.288 -14.239 -5.572 1.00 52.41 N ATOM 1483 CA GLY A 87 -5.815 -15.376 -6.369 1.00 62.21 C ATOM 1484 C GLY A 87 -5.143 -14.970 -7.694 1.00 53.52 C ATOM 1485 O GLY A 87 -4.589 -15.841 -8.362 1.00 50.23 O ATOM 0 H GLY A 87 -5.632 -13.976 -4.837 1.00 52.41 H new ATOM 0 HA2 GLY A 87 -5.107 -15.954 -5.775 1.00 62.21 H new ATOM 0 HA3 GLY A 87 -6.658 -16.031 -6.586 1.00 62.21 H new ATOM 1489 N ASP A 88 -5.177 -13.678 -8.063 1.00 71.04 N ATOM 1490 CA ASP A 88 -4.667 -13.127 -9.325 1.00 30.21 C ATOM 1491 C ASP A 88 -3.421 -12.258 -9.099 1.00 42.45 C ATOM 1492 O ASP A 88 -3.267 -11.239 -9.775 1.00 71.24 O ATOM 1493 CB ASP A 88 -5.757 -12.347 -10.108 1.00 73.41 C ATOM 1494 CG ASP A 88 -7.032 -13.141 -10.393 1.00 71.32 C ATOM 1495 OD1 ASP A 88 -6.904 -14.343 -10.709 1.00 25.20 O ATOM 1496 OD2 ASP A 88 -8.102 -12.495 -10.409 1.00 54.44 O1- ATOM 0 H ASP A 88 -5.579 -12.959 -7.461 1.00 71.04 H new ATOM 0 HA ASP A 88 -4.375 -13.977 -9.941 1.00 30.21 H new ATOM 0 HB2 ASP A 88 -6.021 -11.453 -9.543 1.00 73.41 H new ATOM 0 HB3 ASP A 88 -5.335 -12.012 -11.055 1.00 73.41 H new ATOM 1501 N ASN A 89 -2.539 -12.675 -8.166 1.00 55.11 N ATOM 1502 CA ASN A 89 -1.313 -11.968 -7.745 1.00 54.15 C ATOM 1503 C ASN A 89 -1.574 -10.504 -7.332 1.00 13.15 C ATOM 1504 O ASN A 89 -0.813 -9.609 -7.686 1.00 32.05 O ATOM 1505 CB ASN A 89 -0.082 -12.180 -8.691 1.00 72.33 C ATOM 1506 CG ASN A 89 -0.351 -12.619 -10.137 1.00 34.24 C ATOM 1507 OD1 ASN A 89 -0.715 -13.767 -10.382 1.00 23.44 O ATOM 1508 ND2 ASN A 89 -0.179 -11.717 -11.103 1.00 72.24 N ATOM 0 H ASN A 89 -2.669 -13.553 -7.664 1.00 55.11 H new ATOM 0 HA ASN A 89 -0.997 -12.462 -6.826 1.00 54.15 H new ATOM 0 HB2 ASN A 89 0.478 -11.245 -8.725 1.00 72.33 H new ATOM 0 HB3 ASN A 89 0.568 -12.925 -8.231 1.00 72.33 H new ATOM 0 HD21 ASN A 89 -0.350 -11.972 -12.076 1.00 72.24 H new ATOM 0 HD22 ASN A 89 0.124 -10.771 -10.870 1.00 72.24 H new ATOM 1515 N LYS A 90 -2.689 -10.302 -6.614 1.00 70.41 N ATOM 1516 CA LYS A 90 -3.228 -9.002 -6.239 1.00 43.31 C ATOM 1517 C LYS A 90 -3.707 -9.046 -4.788 1.00 61.44 C ATOM 1518 O LYS A 90 -4.529 -9.899 -4.458 1.00 11.11 O ATOM 1519 CB LYS A 90 -4.421 -8.662 -7.160 1.00 43.14 C ATOM 1520 CG LYS A 90 -4.056 -8.172 -8.566 1.00 44.14 C ATOM 1521 CD LYS A 90 -5.304 -8.084 -9.463 1.00 4.11 C ATOM 1522 CE LYS A 90 -5.007 -7.611 -10.888 1.00 2.42 C ATOM 1523 NZ LYS A 90 -4.174 -8.577 -11.623 1.00 43.54 N1+ ATOM 0 H LYS A 90 -3.257 -11.076 -6.269 1.00 70.41 H new ATOM 0 HA LYS A 90 -2.453 -8.242 -6.343 1.00 43.31 H new ATOM 0 HB2 LYS A 90 -5.047 -9.549 -7.255 1.00 43.14 H new ATOM 0 HB3 LYS A 90 -5.025 -7.896 -6.674 1.00 43.14 H new ATOM 0 HG2 LYS A 90 -3.581 -7.193 -8.501 1.00 44.14 H new ATOM 0 HG3 LYS A 90 -3.329 -8.850 -9.014 1.00 44.14 H new ATOM 0 HD2 LYS A 90 -5.779 -9.064 -9.507 1.00 4.11 H new ATOM 0 HD3 LYS A 90 -6.022 -7.403 -9.006 1.00 4.11 H new ATOM 0 HE2 LYS A 90 -5.944 -7.459 -11.423 1.00 2.42 H new ATOM 0 HE3 LYS A 90 -4.500 -6.647 -10.853 1.00 2.42 H new ATOM 0 HZ1 LYS A 90 -3.317 -8.102 -11.972 1.00 43.54 H new ATOM 0 HZ2 LYS A 90 -3.904 -9.356 -10.989 1.00 43.54 H new ATOM 0 HZ3 LYS A 90 -4.711 -8.957 -12.428 1.00 43.54 H new ATOM 1537 N LEU A 91 -3.226 -8.092 -3.974 1.00 54.14 N ATOM 1538 CA LEU A 91 -3.762 -7.819 -2.639 1.00 71.14 C ATOM 1539 C LEU A 91 -4.851 -6.738 -2.745 1.00 73.50 C ATOM 1540 O LEU A 91 -4.720 -5.811 -3.544 1.00 41.45 O ATOM 1541 CB LEU A 91 -2.644 -7.341 -1.686 1.00 34.10 C ATOM 1542 CG LEU A 91 -1.561 -8.383 -1.324 1.00 33.12 C ATOM 1543 CD1 LEU A 91 -0.296 -7.695 -0.775 1.00 43.11 C ATOM 1544 CD2 LEU A 91 -2.084 -9.457 -0.347 1.00 11.33 C ATOM 0 H LEU A 91 -2.447 -7.486 -4.231 1.00 54.14 H new ATOM 0 HA LEU A 91 -4.187 -8.738 -2.234 1.00 71.14 H new ATOM 0 HB2 LEU A 91 -2.153 -6.480 -2.140 1.00 34.10 H new ATOM 0 HB3 LEU A 91 -3.107 -6.994 -0.762 1.00 34.10 H new ATOM 0 HG LEU A 91 -1.294 -8.901 -2.245 1.00 33.12 H new ATOM 0 HD11 LEU A 91 0.451 -8.450 -0.528 1.00 43.11 H new ATOM 0 HD12 LEU A 91 0.107 -7.019 -1.529 1.00 43.11 H new ATOM 0 HD13 LEU A 91 -0.550 -7.129 0.121 1.00 43.11 H new ATOM 0 HD21 LEU A 91 -1.286 -10.165 -0.124 1.00 11.33 H new ATOM 0 HD22 LEU A 91 -2.414 -8.980 0.576 1.00 11.33 H new ATOM 0 HD23 LEU A 91 -2.922 -9.986 -0.802 1.00 11.33 H new ATOM 1556 N VAL A 92 -5.891 -6.867 -1.911 1.00 32.00 N ATOM 1557 CA VAL A 92 -7.011 -5.937 -1.813 1.00 22.23 C ATOM 1558 C VAL A 92 -7.235 -5.593 -0.331 1.00 44.13 C ATOM 1559 O VAL A 92 -7.197 -6.488 0.517 1.00 43.41 O ATOM 1560 CB VAL A 92 -8.324 -6.562 -2.375 1.00 73.14 C ATOM 1561 CG1 VAL A 92 -9.572 -5.666 -2.211 1.00 43.24 C ATOM 1562 CG2 VAL A 92 -8.176 -6.954 -3.856 1.00 33.22 C ATOM 0 H VAL A 92 -5.973 -7.652 -1.265 1.00 32.00 H new ATOM 0 HA VAL A 92 -6.771 -5.049 -2.397 1.00 22.23 H new ATOM 0 HB VAL A 92 -8.484 -7.453 -1.767 1.00 73.14 H new ATOM 0 HG11 VAL A 92 -10.442 -6.174 -2.627 1.00 43.24 H new ATOM 0 HG12 VAL A 92 -9.740 -5.467 -1.153 1.00 43.24 H new ATOM 0 HG13 VAL A 92 -9.415 -4.724 -2.737 1.00 43.24 H new ATOM 0 HG21 VAL A 92 -9.111 -7.386 -4.213 1.00 33.22 H new ATOM 0 HG22 VAL A 92 -7.937 -6.068 -4.445 1.00 33.22 H new ATOM 0 HG23 VAL A 92 -7.375 -7.686 -3.960 1.00 33.22 H new ATOM 1572 N THR A 93 -7.500 -4.307 -0.061 1.00 63.53 N ATOM 1573 CA THR A 93 -7.836 -3.793 1.263 1.00 13.43 C ATOM 1574 C THR A 93 -8.550 -2.430 1.134 1.00 2.45 C ATOM 1575 O THR A 93 -8.441 -1.769 0.101 1.00 12.21 O ATOM 1576 CB THR A 93 -6.570 -3.688 2.170 1.00 65.32 C ATOM 1577 OG1 THR A 93 -6.923 -3.398 3.507 1.00 23.40 O ATOM 1578 CG2 THR A 93 -5.544 -2.620 1.751 1.00 32.30 C ATOM 0 H THR A 93 -7.485 -3.582 -0.779 1.00 63.53 H new ATOM 0 HA THR A 93 -8.516 -4.496 1.744 1.00 13.43 H new ATOM 0 HB THR A 93 -6.106 -4.668 2.060 1.00 65.32 H new ATOM 0 HG1 THR A 93 -7.268 -4.208 3.937 1.00 23.40 H new ATOM 0 HG21 THR A 93 -4.704 -2.630 2.446 1.00 32.30 H new ATOM 0 HG22 THR A 93 -5.185 -2.836 0.745 1.00 32.30 H new ATOM 0 HG23 THR A 93 -6.015 -1.637 1.765 1.00 32.30 H new ATOM 1586 N THR A 94 -9.279 -2.046 2.188 1.00 31.54 N ATOM 1587 CA THR A 94 -9.916 -0.736 2.369 1.00 61.25 C ATOM 1588 C THR A 94 -9.554 -0.206 3.777 1.00 52.21 C ATOM 1589 O THR A 94 -8.791 -0.865 4.481 1.00 72.24 O ATOM 1590 CB THR A 94 -11.460 -0.837 2.218 1.00 73.32 C ATOM 1591 OG1 THR A 94 -12.017 -1.739 3.157 1.00 22.12 O ATOM 1592 CG2 THR A 94 -11.913 -1.254 0.809 1.00 71.41 C ATOM 0 H THR A 94 -9.449 -2.670 2.976 1.00 31.54 H new ATOM 0 HA THR A 94 -9.554 -0.052 1.602 1.00 61.25 H new ATOM 0 HB THR A 94 -11.826 0.173 2.405 1.00 73.32 H new ATOM 0 HG1 THR A 94 -12.989 -1.778 3.036 1.00 22.12 H new ATOM 0 HG21 THR A 94 -13.001 -1.304 0.777 1.00 71.41 H new ATOM 0 HG22 THR A 94 -11.562 -0.522 0.082 1.00 71.41 H new ATOM 0 HG23 THR A 94 -11.497 -2.232 0.568 1.00 71.41 H new ATOM 1600 N PHE A 95 -10.048 0.984 4.165 1.00 12.34 N ATOM 1601 CA PHE A 95 -9.778 1.570 5.486 1.00 32.24 C ATOM 1602 C PHE A 95 -10.998 2.320 6.031 1.00 42.34 C ATOM 1603 O PHE A 95 -11.431 2.037 7.149 1.00 52.11 O ATOM 1604 CB PHE A 95 -8.545 2.505 5.455 1.00 51.52 C ATOM 1605 CG PHE A 95 -7.222 1.857 5.088 1.00 14.51 C ATOM 1606 CD1 PHE A 95 -6.741 1.926 3.762 1.00 42.12 C ATOM 1607 CD2 PHE A 95 -6.528 1.059 6.022 1.00 64.50 C ATOM 1608 CE1 PHE A 95 -5.573 1.267 3.406 1.00 24.11 C ATOM 1609 CE2 PHE A 95 -5.351 0.426 5.653 1.00 31.44 C ATOM 1610 CZ PHE A 95 -4.876 0.526 4.351 1.00 4.31 C ATOM 0 H PHE A 95 -10.643 1.563 3.572 1.00 12.34 H new ATOM 0 HA PHE A 95 -9.559 0.740 6.158 1.00 32.24 H new ATOM 0 HB2 PHE A 95 -8.742 3.308 4.745 1.00 51.52 H new ATOM 0 HB3 PHE A 95 -8.440 2.966 6.437 1.00 51.52 H new ATOM 0 HD1 PHE A 95 -7.285 2.494 3.022 1.00 42.12 H new ATOM 0 HD2 PHE A 95 -6.913 0.941 7.024 1.00 64.50 H new ATOM 0 HE1 PHE A 95 -5.205 1.331 2.392 1.00 24.11 H new ATOM 0 HE2 PHE A 95 -4.800 -0.149 6.382 1.00 31.44 H new ATOM 0 HZ PHE A 95 -3.961 0.025 4.073 1.00 4.31 H new ATOM 1620 N LYS A 96 -11.512 3.277 5.245 1.00 53.44 N ATOM 1621 CA LYS A 96 -12.583 4.190 5.643 1.00 45.34 C ATOM 1622 C LYS A 96 -13.283 4.719 4.383 1.00 4.11 C ATOM 1623 O LYS A 96 -14.496 4.568 4.249 1.00 13.52 O ATOM 1624 CB LYS A 96 -12.015 5.327 6.536 1.00 23.43 C ATOM 1625 CG LYS A 96 -12.739 5.460 7.886 1.00 21.04 C ATOM 1626 CD LYS A 96 -12.152 6.543 8.810 1.00 75.14 C ATOM 1627 CE LYS A 96 -10.740 6.226 9.335 1.00 20.32 C ATOM 1628 NZ LYS A 96 -10.273 7.257 10.277 1.00 11.43 N1+ ATOM 0 H LYS A 96 -11.184 3.438 4.293 1.00 53.44 H new ATOM 0 HA LYS A 96 -13.327 3.666 6.243 1.00 45.34 H new ATOM 0 HB2 LYS A 96 -10.956 5.143 6.716 1.00 23.43 H new ATOM 0 HB3 LYS A 96 -12.087 6.272 5.998 1.00 23.43 H new ATOM 0 HG2 LYS A 96 -13.790 5.685 7.702 1.00 21.04 H new ATOM 0 HG3 LYS A 96 -12.704 4.500 8.401 1.00 21.04 H new ATOM 0 HD2 LYS A 96 -12.123 7.489 8.270 1.00 75.14 H new ATOM 0 HD3 LYS A 96 -12.821 6.682 9.659 1.00 75.14 H new ATOM 0 HE2 LYS A 96 -10.744 5.254 9.829 1.00 20.32 H new ATOM 0 HE3 LYS A 96 -10.046 6.155 8.497 1.00 20.32 H new ATOM 0 HZ1 LYS A 96 -9.319 7.014 10.612 1.00 11.43 H new ATOM 0 HZ2 LYS A 96 -10.247 8.179 9.797 1.00 11.43 H new ATOM 0 HZ3 LYS A 96 -10.923 7.307 11.088 1.00 11.43 H new ATOM 1642 N ASN A 97 -12.480 5.288 3.471 1.00 10.42 N ATOM 1643 CA ASN A 97 -12.887 5.743 2.139 1.00 75.11 C ATOM 1644 C ASN A 97 -11.755 5.568 1.106 1.00 61.01 C ATOM 1645 O ASN A 97 -11.945 5.943 -0.051 1.00 22.13 O ATOM 1646 CB ASN A 97 -13.465 7.184 2.187 1.00 25.42 C ATOM 1647 CG ASN A 97 -12.459 8.289 2.544 1.00 61.20 C ATOM 1648 OD1 ASN A 97 -11.668 8.150 3.476 1.00 11.33 O ATOM 1649 ND2 ASN A 97 -12.500 9.406 1.816 1.00 5.41 N ATOM 0 H ASN A 97 -11.489 5.449 3.652 1.00 10.42 H new ATOM 0 HA ASN A 97 -13.700 5.103 1.796 1.00 75.11 H new ATOM 0 HB2 ASN A 97 -13.901 7.414 1.215 1.00 25.42 H new ATOM 0 HB3 ASN A 97 -14.277 7.207 2.914 1.00 25.42 H new ATOM 0 HD21 ASN A 97 -11.864 10.175 2.026 1.00 5.41 H new ATOM 0 HD22 ASN A 97 -13.167 9.491 1.049 1.00 5.41 H new ATOM 1656 N ILE A 98 -10.616 4.995 1.536 1.00 61.54 N ATOM 1657 CA ILE A 98 -9.461 4.678 0.707 1.00 2.05 C ATOM 1658 C ILE A 98 -9.494 3.170 0.423 1.00 35.23 C ATOM 1659 O ILE A 98 -9.109 2.378 1.282 1.00 55.31 O ATOM 1660 CB ILE A 98 -8.119 5.038 1.417 1.00 14.22 C ATOM 1661 CG1 ILE A 98 -8.047 6.545 1.747 1.00 63.21 C ATOM 1662 CG2 ILE A 98 -6.864 4.618 0.611 1.00 52.21 C ATOM 1663 CD1 ILE A 98 -6.926 6.925 2.726 1.00 5.42 C ATOM 0 H ILE A 98 -10.480 4.733 2.512 1.00 61.54 H new ATOM 0 HA ILE A 98 -9.511 5.263 -0.212 1.00 2.05 H new ATOM 0 HB ILE A 98 -8.115 4.462 2.342 1.00 14.22 H new ATOM 0 HG12 ILE A 98 -7.908 7.102 0.820 1.00 63.21 H new ATOM 0 HG13 ILE A 98 -9.002 6.859 2.167 1.00 63.21 H new ATOM 0 HG21 ILE A 98 -5.967 4.898 1.163 1.00 52.21 H new ATOM 0 HG22 ILE A 98 -6.874 3.539 0.458 1.00 52.21 H new ATOM 0 HG23 ILE A 98 -6.867 5.121 -0.356 1.00 52.21 H new ATOM 0 HD11 ILE A 98 -6.947 8.000 2.903 1.00 5.42 H new ATOM 0 HD12 ILE A 98 -7.073 6.399 3.669 1.00 5.42 H new ATOM 0 HD13 ILE A 98 -5.962 6.646 2.301 1.00 5.42 H new ATOM 1675 N LYS A 99 -9.936 2.807 -0.789 1.00 53.13 N ATOM 1676 CA LYS A 99 -9.688 1.490 -1.375 1.00 15.10 C ATOM 1677 C LYS A 99 -8.231 1.439 -1.863 1.00 10.35 C ATOM 1678 O LYS A 99 -7.711 2.462 -2.303 1.00 24.53 O ATOM 1679 CB LYS A 99 -10.726 1.239 -2.491 1.00 51.34 C ATOM 1680 CG LYS A 99 -10.569 -0.104 -3.232 1.00 22.43 C ATOM 1681 CD LYS A 99 -11.752 -0.458 -4.153 1.00 32.12 C ATOM 1682 CE LYS A 99 -12.004 0.525 -5.311 1.00 42.11 C ATOM 1683 NZ LYS A 99 -10.864 0.588 -6.244 1.00 33.01 N1+ ATOM 0 H LYS A 99 -10.479 3.426 -1.391 1.00 53.13 H new ATOM 0 HA LYS A 99 -9.809 0.688 -0.647 1.00 15.10 H new ATOM 0 HB2 LYS A 99 -11.724 1.283 -2.055 1.00 51.34 H new ATOM 0 HB3 LYS A 99 -10.660 2.049 -3.218 1.00 51.34 H new ATOM 0 HG2 LYS A 99 -9.656 -0.074 -3.827 1.00 22.43 H new ATOM 0 HG3 LYS A 99 -10.444 -0.899 -2.497 1.00 22.43 H new ATOM 0 HD2 LYS A 99 -11.581 -1.450 -4.571 1.00 32.12 H new ATOM 0 HD3 LYS A 99 -12.656 -0.519 -3.548 1.00 32.12 H new ATOM 0 HE2 LYS A 99 -12.900 0.223 -5.854 1.00 42.11 H new ATOM 0 HE3 LYS A 99 -12.196 1.519 -4.907 1.00 42.11 H new ATOM 0 HZ1 LYS A 99 -11.077 1.261 -7.007 1.00 33.01 H new ATOM 0 HZ2 LYS A 99 -10.014 0.901 -5.733 1.00 33.01 H new ATOM 0 HZ3 LYS A 99 -10.696 -0.354 -6.651 1.00 33.01 H new ATOM 1697 N SER A 100 -7.593 0.269 -1.747 1.00 21.55 N ATOM 1698 CA SER A 100 -6.184 0.067 -2.060 1.00 50.10 C ATOM 1699 C SER A 100 -6.021 -1.319 -2.690 1.00 4.35 C ATOM 1700 O SER A 100 -6.123 -2.321 -1.983 1.00 70.42 O ATOM 1701 CB SER A 100 -5.347 0.281 -0.781 1.00 11.03 C ATOM 1702 OG SER A 100 -3.974 0.013 -0.991 1.00 24.44 O ATOM 0 H SER A 100 -8.058 -0.580 -1.425 1.00 21.55 H new ATOM 0 HA SER A 100 -5.818 0.791 -2.788 1.00 50.10 H new ATOM 0 HB2 SER A 100 -5.467 1.309 -0.438 1.00 11.03 H new ATOM 0 HB3 SER A 100 -5.725 -0.365 0.011 1.00 11.03 H new ATOM 0 HG SER A 100 -3.494 0.856 -1.132 1.00 24.44 H new ATOM 1708 N VAL A 101 -5.787 -1.333 -4.011 1.00 45.05 N ATOM 1709 CA VAL A 101 -5.629 -2.542 -4.809 1.00 23.22 C ATOM 1710 C VAL A 101 -4.191 -2.572 -5.346 1.00 63.20 C ATOM 1711 O VAL A 101 -3.836 -1.764 -6.204 1.00 62.11 O ATOM 1712 CB VAL A 101 -6.626 -2.575 -6.006 1.00 2.42 C ATOM 1713 CG1 VAL A 101 -6.470 -3.829 -6.892 1.00 0.50 C ATOM 1714 CG2 VAL A 101 -8.084 -2.461 -5.525 1.00 60.44 C ATOM 0 H VAL A 101 -5.702 -0.478 -4.561 1.00 45.05 H new ATOM 0 HA VAL A 101 -5.836 -3.409 -4.182 1.00 23.22 H new ATOM 0 HB VAL A 101 -6.377 -1.708 -6.618 1.00 2.42 H new ATOM 0 HG11 VAL A 101 -7.193 -3.791 -7.707 1.00 0.50 H new ATOM 0 HG12 VAL A 101 -5.461 -3.861 -7.303 1.00 0.50 H new ATOM 0 HG13 VAL A 101 -6.646 -4.722 -6.293 1.00 0.50 H new ATOM 0 HG21 VAL A 101 -8.754 -2.487 -6.385 1.00 60.44 H new ATOM 0 HG22 VAL A 101 -8.314 -3.294 -4.860 1.00 60.44 H new ATOM 0 HG23 VAL A 101 -8.218 -1.521 -4.989 1.00 60.44 H new ATOM 1724 N THR A 102 -3.395 -3.508 -4.814 1.00 1.42 N ATOM 1725 CA THR A 102 -2.017 -3.769 -5.231 1.00 32.21 C ATOM 1726 C THR A 102 -1.992 -4.954 -6.213 1.00 75.43 C ATOM 1727 O THR A 102 -2.867 -5.814 -6.150 1.00 20.23 O ATOM 1728 CB THR A 102 -1.138 -4.134 -4.008 1.00 51.52 C ATOM 1729 OG1 THR A 102 -1.245 -3.116 -3.032 1.00 54.43 O ATOM 1730 CG2 THR A 102 0.362 -4.328 -4.299 1.00 34.32 C ATOM 0 H THR A 102 -3.704 -4.121 -4.060 1.00 1.42 H new ATOM 0 HA THR A 102 -1.627 -2.869 -5.706 1.00 32.21 H new ATOM 0 HB THR A 102 -1.523 -5.097 -3.673 1.00 51.52 H new ATOM 0 HG1 THR A 102 -0.691 -3.346 -2.257 1.00 54.43 H new ATOM 0 HG21 THR A 102 0.882 -4.580 -3.375 1.00 34.32 H new ATOM 0 HG22 THR A 102 0.491 -5.135 -5.020 1.00 34.32 H new ATOM 0 HG23 THR A 102 0.775 -3.406 -4.708 1.00 34.32 H new ATOM 1738 N GLU A 103 -0.986 -4.968 -7.096 1.00 20.12 N ATOM 1739 CA GLU A 103 -0.752 -5.986 -8.111 1.00 73.42 C ATOM 1740 C GLU A 103 0.752 -6.277 -8.215 1.00 13.32 C ATOM 1741 O GLU A 103 1.572 -5.369 -8.079 1.00 20.43 O ATOM 1742 CB GLU A 103 -1.351 -5.491 -9.448 1.00 53.31 C ATOM 1743 CG GLU A 103 -1.051 -6.358 -10.689 1.00 32.21 C ATOM 1744 CD GLU A 103 -1.581 -5.726 -11.976 1.00 32.03 C ATOM 1745 OE1 GLU A 103 -2.496 -6.332 -12.575 1.00 65.33 O ATOM 1746 OE2 GLU A 103 -1.041 -4.662 -12.352 1.00 34.52 O1- ATOM 0 H GLU A 103 -0.282 -4.230 -7.118 1.00 20.12 H new ATOM 0 HA GLU A 103 -1.240 -6.924 -7.845 1.00 73.42 H new ATOM 0 HB2 GLU A 103 -2.433 -5.419 -9.333 1.00 53.31 H new ATOM 0 HB3 GLU A 103 -0.982 -4.483 -9.637 1.00 53.31 H new ATOM 0 HG2 GLU A 103 0.025 -6.506 -10.775 1.00 32.21 H new ATOM 0 HG3 GLU A 103 -1.499 -7.343 -10.559 1.00 32.21 H new ATOM 1753 N LEU A 104 1.055 -7.542 -8.520 1.00 42.30 N ATOM 1754 CA LEU A 104 2.367 -8.073 -8.860 1.00 11.24 C ATOM 1755 C LEU A 104 2.282 -8.663 -10.276 1.00 73.12 C ATOM 1756 O LEU A 104 1.318 -9.364 -10.577 1.00 4.51 O ATOM 1757 CB LEU A 104 2.724 -9.137 -7.794 1.00 54.01 C ATOM 1758 CG LEU A 104 3.856 -10.135 -8.130 1.00 32.33 C ATOM 1759 CD1 LEU A 104 5.242 -9.478 -8.085 1.00 75.11 C ATOM 1760 CD2 LEU A 104 3.782 -11.348 -7.199 1.00 4.54 C ATOM 0 H LEU A 104 0.338 -8.267 -8.535 1.00 42.30 H new ATOM 0 HA LEU A 104 3.148 -7.313 -8.861 1.00 11.24 H new ATOM 0 HB2 LEU A 104 2.997 -8.615 -6.877 1.00 54.01 H new ATOM 0 HB3 LEU A 104 1.823 -9.711 -7.578 1.00 54.01 H new ATOM 0 HG LEU A 104 3.709 -10.473 -9.156 1.00 32.33 H new ATOM 0 HD11 LEU A 104 6.004 -10.219 -8.328 1.00 75.11 H new ATOM 0 HD12 LEU A 104 5.283 -8.665 -8.809 1.00 75.11 H new ATOM 0 HD13 LEU A 104 5.425 -9.083 -7.086 1.00 75.11 H new ATOM 0 HD21 LEU A 104 4.584 -12.044 -7.444 1.00 4.54 H new ATOM 0 HD22 LEU A 104 3.890 -11.020 -6.165 1.00 4.54 H new ATOM 0 HD23 LEU A 104 2.820 -11.844 -7.324 1.00 4.54 H new ATOM 1772 N ASN A 105 3.317 -8.407 -11.089 1.00 34.14 N ATOM 1773 CA ASN A 105 3.573 -8.995 -12.408 1.00 71.15 C ATOM 1774 C ASN A 105 5.082 -9.296 -12.469 1.00 24.52 C ATOM 1775 O ASN A 105 5.798 -8.708 -13.279 1.00 10.23 O ATOM 1776 CB ASN A 105 3.079 -8.022 -13.521 1.00 53.44 C ATOM 1777 CG ASN A 105 1.659 -8.281 -14.036 1.00 71.14 C ATOM 1778 OD1 ASN A 105 1.477 -8.587 -15.211 1.00 72.43 O ATOM 1779 ND2 ASN A 105 0.641 -8.142 -13.187 1.00 74.43 N ATOM 0 H ASN A 105 4.043 -7.741 -10.824 1.00 34.14 H new ATOM 0 HA ASN A 105 3.026 -9.924 -12.571 1.00 71.15 H new ATOM 0 HB2 ASN A 105 3.128 -7.003 -13.137 1.00 53.44 H new ATOM 0 HB3 ASN A 105 3.769 -8.079 -14.363 1.00 53.44 H new ATOM 0 HD21 ASN A 105 -0.315 -8.291 -13.509 1.00 74.43 H new ATOM 0 HD22 ASN A 105 0.818 -7.887 -12.215 1.00 74.43 H new ATOM 1786 N GLY A 106 5.540 -10.219 -11.602 1.00 41.51 N ATOM 1787 CA GLY A 106 6.920 -10.709 -11.554 1.00 24.53 C ATOM 1788 C GLY A 106 7.878 -9.610 -11.073 1.00 44.41 C ATOM 1789 O GLY A 106 7.928 -9.307 -9.881 1.00 71.31 O ATOM 0 H GLY A 106 4.940 -10.652 -10.900 1.00 41.51 H new ATOM 0 HA2 GLY A 106 6.982 -11.568 -10.886 1.00 24.53 H new ATOM 0 HA3 GLY A 106 7.222 -11.052 -12.543 1.00 24.53 H new ATOM 1793 N ASP A 107 8.648 -9.040 -12.013 1.00 35.04 N ATOM 1794 CA ASP A 107 9.559 -7.917 -11.779 1.00 74.01 C ATOM 1795 C ASP A 107 8.847 -6.546 -11.793 1.00 4.24 C ATOM 1796 O ASP A 107 9.491 -5.560 -11.455 1.00 62.20 O ATOM 1797 CB ASP A 107 10.786 -7.902 -12.731 1.00 2.23 C ATOM 1798 CG ASP A 107 10.513 -7.870 -14.242 1.00 32.02 C ATOM 1799 OD1 ASP A 107 9.401 -8.252 -14.664 1.00 52.24 O ATOM 1800 OD2 ASP A 107 11.469 -7.494 -14.954 1.00 30.24 O1- ATOM 0 H ASP A 107 8.652 -9.359 -12.982 1.00 35.04 H new ATOM 0 HA ASP A 107 9.937 -8.085 -10.770 1.00 74.01 H new ATOM 0 HB2 ASP A 107 11.395 -7.033 -12.481 1.00 2.23 H new ATOM 0 HB3 ASP A 107 11.388 -8.785 -12.517 1.00 2.23 H new ATOM 1805 N ILE A 108 7.558 -6.490 -12.166 1.00 2.50 N ATOM 1806 CA ILE A 108 6.756 -5.266 -12.202 1.00 64.11 C ATOM 1807 C ILE A 108 5.746 -5.289 -11.038 1.00 2.11 C ATOM 1808 O ILE A 108 5.257 -6.358 -10.675 1.00 22.32 O ATOM 1809 CB ILE A 108 5.958 -5.165 -13.541 1.00 55.52 C ATOM 1810 CG1 ILE A 108 6.845 -5.379 -14.792 1.00 22.44 C ATOM 1811 CG2 ILE A 108 5.143 -3.857 -13.681 1.00 22.33 C ATOM 1812 CD1 ILE A 108 8.060 -4.444 -14.908 1.00 60.45 C ATOM 0 H ILE A 108 7.036 -7.317 -12.457 1.00 2.50 H new ATOM 0 HA ILE A 108 7.428 -4.412 -12.118 1.00 64.11 H new ATOM 0 HB ILE A 108 5.245 -5.988 -13.488 1.00 55.52 H new ATOM 0 HG12 ILE A 108 7.200 -6.410 -14.793 1.00 22.44 H new ATOM 0 HG13 ILE A 108 6.226 -5.254 -15.681 1.00 22.44 H new ATOM 0 HG21 ILE A 108 4.615 -3.857 -14.635 1.00 22.33 H new ATOM 0 HG22 ILE A 108 4.421 -3.789 -12.867 1.00 22.33 H new ATOM 0 HG23 ILE A 108 5.818 -3.002 -13.640 1.00 22.33 H new ATOM 0 HD11 ILE A 108 8.613 -4.677 -15.818 1.00 60.45 H new ATOM 0 HD12 ILE A 108 7.720 -3.409 -14.945 1.00 60.45 H new ATOM 0 HD13 ILE A 108 8.709 -4.582 -14.043 1.00 60.45 H new ATOM 1824 N ILE A 109 5.448 -4.104 -10.488 1.00 40.12 N ATOM 1825 CA ILE A 109 4.422 -3.874 -9.471 1.00 22.33 C ATOM 1826 C ILE A 109 3.546 -2.696 -9.924 1.00 1.23 C ATOM 1827 O ILE A 109 4.067 -1.725 -10.475 1.00 51.11 O ATOM 1828 CB ILE A 109 5.060 -3.513 -8.091 1.00 71.12 C ATOM 1829 CG1 ILE A 109 5.870 -4.679 -7.496 1.00 33.11 C ATOM 1830 CG2 ILE A 109 4.106 -2.922 -7.023 1.00 12.12 C ATOM 1831 CD1 ILE A 109 5.075 -5.937 -7.135 1.00 34.14 C ATOM 0 H ILE A 109 5.936 -3.248 -10.752 1.00 40.12 H new ATOM 0 HA ILE A 109 3.837 -4.786 -9.355 1.00 22.33 H new ATOM 0 HB ILE A 109 5.731 -2.695 -8.351 1.00 71.12 H new ATOM 0 HG12 ILE A 109 6.646 -4.957 -8.209 1.00 33.11 H new ATOM 0 HG13 ILE A 109 6.375 -4.323 -6.598 1.00 33.11 H new ATOM 0 HG21 ILE A 109 4.665 -2.713 -6.111 1.00 12.12 H new ATOM 0 HG22 ILE A 109 3.667 -1.998 -7.399 1.00 12.12 H new ATOM 0 HG23 ILE A 109 3.314 -3.639 -6.806 1.00 12.12 H new ATOM 0 HD11 ILE A 109 5.750 -6.689 -6.726 1.00 34.14 H new ATOM 0 HD12 ILE A 109 4.317 -5.688 -6.393 1.00 34.14 H new ATOM 0 HD13 ILE A 109 4.592 -6.331 -8.029 1.00 34.14 H new ATOM 1843 N THR A 110 2.243 -2.789 -9.628 1.00 33.21 N ATOM 1844 CA THR A 110 1.294 -1.685 -9.749 1.00 2.23 C ATOM 1845 C THR A 110 0.544 -1.543 -8.412 1.00 12.04 C ATOM 1846 O THR A 110 0.329 -2.537 -7.720 1.00 75.51 O ATOM 1847 CB THR A 110 0.248 -1.925 -10.872 1.00 74.14 C ATOM 1848 OG1 THR A 110 0.887 -2.298 -12.077 1.00 72.01 O ATOM 1849 CG2 THR A 110 -0.652 -0.714 -11.183 1.00 2.10 C ATOM 0 H THR A 110 1.815 -3.652 -9.292 1.00 33.21 H new ATOM 0 HA THR A 110 1.856 -0.785 -10.000 1.00 2.23 H new ATOM 0 HB THR A 110 -0.388 -2.720 -10.483 1.00 74.14 H new ATOM 0 HG1 THR A 110 0.446 -3.090 -12.450 1.00 72.01 H new ATOM 0 HG21 THR A 110 -1.350 -0.974 -11.979 1.00 2.10 H new ATOM 0 HG22 THR A 110 -1.209 -0.435 -10.288 1.00 2.10 H new ATOM 0 HG23 THR A 110 -0.035 0.126 -11.502 1.00 2.10 H new ATOM 1857 N ASN A 111 0.152 -0.313 -8.074 1.00 1.30 N ATOM 1858 CA ASN A 111 -0.686 -0.006 -6.922 1.00 43.31 C ATOM 1859 C ASN A 111 -1.660 1.081 -7.376 1.00 23.34 C ATOM 1860 O ASN A 111 -1.215 2.165 -7.742 1.00 30.24 O ATOM 1861 CB ASN A 111 0.189 0.427 -5.722 1.00 72.52 C ATOM 1862 CG ASN A 111 -0.555 0.413 -4.379 1.00 11.42 C ATOM 1863 OD1 ASN A 111 -1.633 0.988 -4.249 1.00 15.41 O ATOM 1864 ND2 ASN A 111 0.029 -0.224 -3.364 1.00 44.55 N ATOM 0 H ASN A 111 0.417 0.514 -8.609 1.00 1.30 H new ATOM 0 HA ASN A 111 -1.246 -0.874 -6.575 1.00 43.31 H new ATOM 0 HB2 ASN A 111 1.053 -0.235 -5.656 1.00 72.52 H new ATOM 0 HB3 ASN A 111 0.570 1.431 -5.906 1.00 72.52 H new ATOM 0 HD21 ASN A 111 -0.420 -0.243 -2.448 1.00 44.55 H new ATOM 0 HD22 ASN A 111 0.924 -0.692 -3.503 1.00 44.55 H new ATOM 1871 N THR A 112 -2.960 0.754 -7.355 1.00 70.33 N ATOM 1872 CA THR A 112 -4.046 1.654 -7.715 1.00 53.43 C ATOM 1873 C THR A 112 -4.973 1.784 -6.497 1.00 64.33 C ATOM 1874 O THR A 112 -5.770 0.882 -6.226 1.00 23.24 O ATOM 1875 CB THR A 112 -4.857 1.120 -8.930 1.00 52.13 C ATOM 1876 OG1 THR A 112 -3.994 1.029 -10.048 1.00 1.20 O ATOM 1877 CG2 THR A 112 -6.054 2.000 -9.340 1.00 71.42 C ATOM 0 H THR A 112 -3.286 -0.172 -7.078 1.00 70.33 H new ATOM 0 HA THR A 112 -3.629 2.620 -8.000 1.00 53.43 H new ATOM 0 HB THR A 112 -5.259 0.156 -8.618 1.00 52.13 H new ATOM 0 HG1 THR A 112 -4.494 0.692 -10.820 1.00 1.20 H new ATOM 0 HG21 THR A 112 -6.560 1.551 -10.194 1.00 71.42 H new ATOM 0 HG22 THR A 112 -6.751 2.078 -8.505 1.00 71.42 H new ATOM 0 HG23 THR A 112 -5.699 2.994 -9.610 1.00 71.42 H new ATOM 1885 N MET A 113 -4.836 2.910 -5.782 1.00 51.12 N ATOM 1886 CA MET A 113 -5.733 3.297 -4.698 1.00 1.03 C ATOM 1887 C MET A 113 -6.843 4.213 -5.223 1.00 4.14 C ATOM 1888 O MET A 113 -6.649 4.896 -6.228 1.00 24.23 O ATOM 1889 CB MET A 113 -4.953 3.995 -3.564 1.00 21.14 C ATOM 1890 CG MET A 113 -3.767 3.187 -3.015 1.00 14.13 C ATOM 1891 SD MET A 113 -3.366 3.515 -1.276 1.00 42.25 S ATOM 1892 CE MET A 113 -3.043 5.296 -1.329 1.00 63.21 C ATOM 0 H MET A 113 -4.087 3.582 -5.947 1.00 51.12 H new ATOM 0 HA MET A 113 -6.189 2.393 -4.294 1.00 1.03 H new ATOM 0 HB2 MET A 113 -4.585 4.953 -3.930 1.00 21.14 H new ATOM 0 HB3 MET A 113 -5.640 4.209 -2.746 1.00 21.14 H new ATOM 0 HG2 MET A 113 -3.984 2.125 -3.129 1.00 14.13 H new ATOM 0 HG3 MET A 113 -2.888 3.400 -3.623 1.00 14.13 H new ATOM 0 HE1 MET A 113 -2.730 5.639 -0.343 1.00 63.21 H new ATOM 0 HE2 MET A 113 -2.253 5.501 -2.052 1.00 63.21 H new ATOM 0 HE3 MET A 113 -3.951 5.822 -1.625 1.00 63.21 H new ATOM 1902 N THR A 114 -7.977 4.228 -4.509 1.00 31.21 N ATOM 1903 CA THR A 114 -9.107 5.109 -4.773 1.00 32.02 C ATOM 1904 C THR A 114 -9.590 5.712 -3.440 1.00 0.44 C ATOM 1905 O THR A 114 -10.354 5.065 -2.724 1.00 11.44 O ATOM 1906 CB THR A 114 -10.284 4.377 -5.480 1.00 42.22 C ATOM 1907 OG1 THR A 114 -9.849 3.826 -6.709 1.00 43.55 O ATOM 1908 CG2 THR A 114 -11.508 5.267 -5.770 1.00 33.33 C ATOM 0 H THR A 114 -8.131 3.609 -3.713 1.00 31.21 H new ATOM 0 HA THR A 114 -8.770 5.893 -5.451 1.00 32.02 H new ATOM 0 HB THR A 114 -10.599 3.607 -4.776 1.00 42.22 H new ATOM 0 HG1 THR A 114 -10.597 3.366 -7.144 1.00 43.55 H new ATOM 0 HG21 THR A 114 -12.279 4.676 -6.263 1.00 33.33 H new ATOM 0 HG22 THR A 114 -11.899 5.664 -4.833 1.00 33.33 H new ATOM 0 HG23 THR A 114 -11.213 6.092 -6.419 1.00 33.33 H new ATOM 1916 N LEU A 115 -9.132 6.941 -3.145 1.00 10.34 N ATOM 1917 CA LEU A 115 -9.653 7.785 -2.065 1.00 5.52 C ATOM 1918 C LEU A 115 -10.854 8.566 -2.610 1.00 24.12 C ATOM 1919 O LEU A 115 -10.652 9.615 -3.218 1.00 22.44 O ATOM 1920 CB LEU A 115 -8.528 8.702 -1.514 1.00 61.42 C ATOM 1921 CG LEU A 115 -8.901 9.520 -0.243 1.00 64.31 C ATOM 1922 CD1 LEU A 115 -7.653 9.927 0.563 1.00 24.21 C ATOM 1923 CD2 LEU A 115 -9.761 10.772 -0.510 1.00 4.21 C ATOM 0 H LEU A 115 -8.373 7.381 -3.664 1.00 10.34 H new ATOM 0 HA LEU A 115 -9.992 7.184 -1.221 1.00 5.52 H new ATOM 0 HB2 LEU A 115 -7.658 8.086 -1.287 1.00 61.42 H new ATOM 0 HB3 LEU A 115 -8.231 9.397 -2.299 1.00 61.42 H new ATOM 0 HG LEU A 115 -9.515 8.833 0.339 1.00 64.31 H new ATOM 0 HD11 LEU A 115 -7.957 10.496 1.442 1.00 24.21 H new ATOM 0 HD12 LEU A 115 -7.116 9.033 0.878 1.00 24.21 H new ATOM 0 HD13 LEU A 115 -7.002 10.541 -0.059 1.00 24.21 H new ATOM 0 HD21 LEU A 115 -9.971 11.277 0.433 1.00 4.21 H new ATOM 0 HD22 LEU A 115 -9.222 11.449 -1.172 1.00 4.21 H new ATOM 0 HD23 LEU A 115 -10.699 10.476 -0.979 1.00 4.21 H new ATOM 1935 N GLY A 116 -12.071 8.039 -2.393 1.00 61.13 N ATOM 1936 CA GLY A 116 -13.334 8.660 -2.803 1.00 30.35 C ATOM 1937 C GLY A 116 -13.392 8.869 -4.327 1.00 51.00 C ATOM 1938 O GLY A 116 -13.529 7.904 -5.075 1.00 22.24 O ATOM 0 H GLY A 116 -12.203 7.147 -1.916 1.00 61.13 H new ATOM 0 HA2 GLY A 116 -14.168 8.032 -2.489 1.00 30.35 H new ATOM 0 HA3 GLY A 116 -13.449 9.619 -2.299 1.00 30.35 H new ATOM 1942 N ASP A 117 -13.295 10.143 -4.750 1.00 63.23 N ATOM 1943 CA ASP A 117 -13.248 10.609 -6.145 1.00 14.31 C ATOM 1944 C ASP A 117 -11.836 10.753 -6.750 1.00 43.04 C ATOM 1945 O ASP A 117 -11.746 11.079 -7.934 1.00 1.34 O ATOM 1946 CB ASP A 117 -14.047 11.925 -6.326 1.00 3.04 C ATOM 1947 CG ASP A 117 -15.505 11.685 -6.710 1.00 74.25 C ATOM 1948 OD1 ASP A 117 -15.703 11.253 -7.866 1.00 74.43 O ATOM 1949 OD2 ASP A 117 -16.391 12.004 -5.889 1.00 23.23 O1- ATOM 0 H ASP A 117 -13.245 10.918 -4.088 1.00 63.23 H new ATOM 0 HA ASP A 117 -13.721 9.805 -6.709 1.00 14.31 H new ATOM 0 HB2 ASP A 117 -14.010 12.497 -5.399 1.00 3.04 H new ATOM 0 HB3 ASP A 117 -13.569 12.532 -7.095 1.00 3.04 H new ATOM 1954 N ILE A 118 -10.766 10.508 -5.978 1.00 4.54 N ATOM 1955 CA ILE A 118 -9.377 10.577 -6.445 1.00 44.24 C ATOM 1956 C ILE A 118 -8.871 9.140 -6.651 1.00 5.21 C ATOM 1957 O ILE A 118 -9.136 8.298 -5.797 1.00 5.44 O ATOM 1958 CB ILE A 118 -8.449 11.251 -5.388 1.00 22.24 C ATOM 1959 CG1 ILE A 118 -8.985 12.637 -4.958 1.00 24.45 C ATOM 1960 CG2 ILE A 118 -6.983 11.377 -5.867 1.00 14.20 C ATOM 1961 CD1 ILE A 118 -8.274 13.215 -3.729 1.00 24.45 C ATOM 0 H ILE A 118 -10.846 10.252 -4.994 1.00 4.54 H new ATOM 0 HA ILE A 118 -9.353 11.163 -7.364 1.00 44.24 H new ATOM 0 HB ILE A 118 -8.456 10.587 -4.524 1.00 22.24 H new ATOM 0 HG12 ILE A 118 -8.878 13.333 -5.790 1.00 24.45 H new ATOM 0 HG13 ILE A 118 -10.051 12.555 -4.746 1.00 24.45 H new ATOM 0 HG21 ILE A 118 -6.386 11.853 -5.089 1.00 14.20 H new ATOM 0 HG22 ILE A 118 -6.582 10.385 -6.076 1.00 14.20 H new ATOM 0 HG23 ILE A 118 -6.947 11.981 -6.773 1.00 14.20 H new ATOM 0 HD11 ILE A 118 -8.702 14.188 -3.485 1.00 24.45 H new ATOM 0 HD12 ILE A 118 -8.403 12.540 -2.883 1.00 24.45 H new ATOM 0 HD13 ILE A 118 -7.211 13.329 -3.944 1.00 24.45 H new ATOM 1973 N VAL A 119 -8.143 8.888 -7.754 1.00 72.05 N ATOM 1974 CA VAL A 119 -7.578 7.572 -8.065 1.00 54.42 C ATOM 1975 C VAL A 119 -6.050 7.694 -8.202 1.00 43.45 C ATOM 1976 O VAL A 119 -5.544 7.922 -9.303 1.00 32.12 O ATOM 1977 CB VAL A 119 -8.192 6.948 -9.354 1.00 54.43 C ATOM 1978 CG1 VAL A 119 -7.602 5.560 -9.706 1.00 63.22 C ATOM 1979 CG2 VAL A 119 -9.723 6.824 -9.247 1.00 54.54 C ATOM 0 H VAL A 119 -7.932 9.598 -8.455 1.00 72.05 H new ATOM 0 HA VAL A 119 -7.827 6.899 -7.244 1.00 54.42 H new ATOM 0 HB VAL A 119 -7.929 7.638 -10.156 1.00 54.43 H new ATOM 0 HG11 VAL A 119 -8.074 5.184 -10.614 1.00 63.22 H new ATOM 0 HG12 VAL A 119 -6.528 5.651 -9.866 1.00 63.22 H new ATOM 0 HG13 VAL A 119 -7.789 4.867 -8.886 1.00 63.22 H new ATOM 0 HG21 VAL A 119 -10.117 6.385 -10.163 1.00 54.54 H new ATOM 0 HG22 VAL A 119 -9.978 6.187 -8.400 1.00 54.54 H new ATOM 0 HG23 VAL A 119 -10.159 7.812 -9.101 1.00 54.54 H new ATOM 1989 N PHE A 120 -5.344 7.545 -7.068 1.00 2.03 N ATOM 1990 CA PHE A 120 -3.884 7.477 -7.011 1.00 51.53 C ATOM 1991 C PHE A 120 -3.338 6.197 -7.671 1.00 21.53 C ATOM 1992 O PHE A 120 -3.911 5.126 -7.485 1.00 55.54 O ATOM 1993 CB PHE A 120 -3.402 7.656 -5.555 1.00 62.43 C ATOM 1994 CG PHE A 120 -1.900 7.525 -5.354 1.00 13.04 C ATOM 1995 CD1 PHE A 120 -1.043 8.533 -5.843 1.00 51.13 C ATOM 1996 CD2 PHE A 120 -1.339 6.339 -4.839 1.00 1.44 C ATOM 1997 CE1 PHE A 120 0.332 8.367 -5.781 1.00 44.00 C ATOM 1998 CE2 PHE A 120 0.042 6.201 -4.762 1.00 45.44 C ATOM 1999 CZ PHE A 120 0.873 7.214 -5.228 1.00 63.23 C ATOM 0 H PHE A 120 -5.786 7.468 -6.152 1.00 2.03 H new ATOM 0 HA PHE A 120 -3.476 8.301 -7.597 1.00 51.53 H new ATOM 0 HB2 PHE A 120 -3.716 8.638 -5.202 1.00 62.43 H new ATOM 0 HB3 PHE A 120 -3.903 6.917 -4.929 1.00 62.43 H new ATOM 0 HD1 PHE A 120 -1.459 9.435 -6.266 1.00 51.13 H new ATOM 0 HD2 PHE A 120 -1.982 5.538 -4.504 1.00 1.44 H new ATOM 0 HE1 PHE A 120 0.985 9.137 -6.164 1.00 44.00 H new ATOM 0 HE2 PHE A 120 0.471 5.305 -4.339 1.00 45.44 H new ATOM 0 HZ PHE A 120 1.945 7.103 -5.159 1.00 63.23 H new ATOM 2009 N LYS A 121 -2.231 6.345 -8.409 1.00 14.14 N ATOM 2010 CA LYS A 121 -1.533 5.277 -9.114 1.00 24.41 C ATOM 2011 C LYS A 121 -0.026 5.375 -8.852 1.00 1.12 C ATOM 2012 O LYS A 121 0.495 6.472 -8.658 1.00 5.40 O ATOM 2013 CB LYS A 121 -1.881 5.359 -10.614 1.00 61.44 C ATOM 2014 CG LYS A 121 -3.029 4.424 -11.024 1.00 13.52 C ATOM 2015 CD LYS A 121 -3.661 4.842 -12.363 1.00 1.43 C ATOM 2016 CE LYS A 121 -4.474 3.731 -13.040 1.00 11.33 C ATOM 2017 NZ LYS A 121 -3.593 2.735 -13.677 1.00 31.52 N1+ ATOM 0 H LYS A 121 -1.783 7.253 -8.533 1.00 14.14 H new ATOM 0 HA LYS A 121 -1.853 4.301 -8.749 1.00 24.41 H new ATOM 0 HB2 LYS A 121 -2.152 6.385 -10.861 1.00 61.44 H new ATOM 0 HB3 LYS A 121 -0.995 5.113 -11.199 1.00 61.44 H new ATOM 0 HG2 LYS A 121 -2.655 3.403 -11.102 1.00 13.52 H new ATOM 0 HG3 LYS A 121 -3.793 4.425 -10.246 1.00 13.52 H new ATOM 0 HD2 LYS A 121 -4.309 5.702 -12.195 1.00 1.43 H new ATOM 0 HD3 LYS A 121 -2.871 5.166 -13.041 1.00 1.43 H new ATOM 0 HE2 LYS A 121 -5.108 3.240 -12.302 1.00 11.33 H new ATOM 0 HE3 LYS A 121 -5.136 4.166 -13.789 1.00 11.33 H new ATOM 0 HZ1 LYS A 121 -4.172 1.997 -14.126 1.00 31.52 H new ATOM 0 HZ2 LYS A 121 -3.006 3.201 -14.398 1.00 31.52 H new ATOM 0 HZ3 LYS A 121 -2.979 2.303 -12.957 1.00 31.52 H new ATOM 2031 N ARG A 122 0.641 4.211 -8.849 1.00 54.11 N ATOM 2032 CA ARG A 122 2.058 4.065 -8.542 1.00 51.51 C ATOM 2033 C ARG A 122 2.566 2.764 -9.172 1.00 51.43 C ATOM 2034 O ARG A 122 2.214 1.684 -8.702 1.00 64.24 O ATOM 2035 CB ARG A 122 2.260 4.126 -7.010 1.00 71.25 C ATOM 2036 CG ARG A 122 3.718 4.058 -6.524 1.00 23.43 C ATOM 2037 CD ARG A 122 3.814 4.353 -5.016 1.00 72.20 C ATOM 2038 NE ARG A 122 5.163 4.135 -4.477 1.00 11.34 N ATOM 2039 CZ ARG A 122 5.621 4.604 -3.301 1.00 52.00 C ATOM 2040 NH1 ARG A 122 4.834 5.311 -2.476 1.00 71.04 N1+ ATOM 2041 NH2 ARG A 122 6.888 4.356 -2.941 1.00 41.43 N ATOM 0 H ARG A 122 0.189 3.323 -9.068 1.00 54.11 H new ATOM 0 HA ARG A 122 2.644 4.880 -8.966 1.00 51.51 H new ATOM 0 HB2 ARG A 122 1.816 5.051 -6.640 1.00 71.25 H new ATOM 0 HB3 ARG A 122 1.707 3.304 -6.556 1.00 71.25 H new ATOM 0 HG2 ARG A 122 4.128 3.069 -6.731 1.00 23.43 H new ATOM 0 HG3 ARG A 122 4.323 4.776 -7.077 1.00 23.43 H new ATOM 0 HD2 ARG A 122 3.517 5.386 -4.833 1.00 72.20 H new ATOM 0 HD3 ARG A 122 3.107 3.719 -4.481 1.00 72.20 H new ATOM 0 HE ARG A 122 5.807 3.581 -5.042 1.00 11.34 H new ATOM 0 HH11 ARG A 122 3.866 5.503 -2.735 1.00 71.04 H new ATOM 0 HH12 ARG A 122 5.203 5.656 -1.590 1.00 71.04 H new ATOM 0 HH21 ARG A 122 7.497 3.816 -3.556 1.00 41.43 H new ATOM 0 HH22 ARG A 122 7.244 4.707 -2.052 1.00 41.43 H new ATOM 2055 N ILE A 123 3.382 2.901 -10.226 1.00 23.42 N ATOM 2056 CA ILE A 123 4.037 1.806 -10.933 1.00 74.43 C ATOM 2057 C ILE A 123 5.496 1.739 -10.447 1.00 3.34 C ATOM 2058 O ILE A 123 6.151 2.775 -10.333 1.00 11.31 O ATOM 2059 CB ILE A 123 4.030 2.023 -12.479 1.00 53.55 C ATOM 2060 CG1 ILE A 123 2.588 2.141 -13.040 1.00 33.41 C ATOM 2061 CG2 ILE A 123 4.771 0.896 -13.238 1.00 70.43 C ATOM 2062 CD1 ILE A 123 1.961 3.541 -12.926 1.00 23.05 C ATOM 0 H ILE A 123 3.609 3.814 -10.620 1.00 23.42 H new ATOM 0 HA ILE A 123 3.497 0.882 -10.726 1.00 74.43 H new ATOM 0 HB ILE A 123 4.559 2.962 -12.643 1.00 53.55 H new ATOM 0 HG12 ILE A 123 2.597 1.847 -14.090 1.00 33.41 H new ATOM 0 HG13 ILE A 123 1.950 1.429 -12.515 1.00 33.41 H new ATOM 0 HG21 ILE A 123 4.737 1.095 -14.309 1.00 70.43 H new ATOM 0 HG22 ILE A 123 5.809 0.858 -12.909 1.00 70.43 H new ATOM 0 HG23 ILE A 123 4.289 -0.060 -13.031 1.00 70.43 H new ATOM 0 HD11 ILE A 123 0.954 3.524 -13.344 1.00 23.05 H new ATOM 0 HD12 ILE A 123 1.914 3.834 -11.877 1.00 23.05 H new ATOM 0 HD13 ILE A 123 2.570 4.258 -13.476 1.00 23.05 H new ATOM 2074 N SER A 124 5.966 0.516 -10.164 1.00 71.20 N ATOM 2075 CA SER A 124 7.300 0.225 -9.643 1.00 14.32 C ATOM 2076 C SER A 124 7.904 -0.983 -10.387 1.00 44.33 C ATOM 2077 O SER A 124 7.157 -1.764 -10.980 1.00 2.24 O ATOM 2078 CB SER A 124 7.186 -0.024 -8.122 1.00 41.23 C ATOM 2079 OG SER A 124 6.903 1.175 -7.430 1.00 61.04 O ATOM 0 H SER A 124 5.404 -0.325 -10.298 1.00 71.20 H new ATOM 0 HA SER A 124 7.972 1.067 -9.807 1.00 14.32 H new ATOM 0 HB2 SER A 124 6.400 -0.754 -7.928 1.00 41.23 H new ATOM 0 HB3 SER A 124 8.117 -0.451 -7.750 1.00 41.23 H new ATOM 0 HG SER A 124 6.834 0.990 -6.470 1.00 61.04 H new ATOM 2085 N LYS A 125 9.243 -1.118 -10.354 1.00 51.44 N ATOM 2086 CA LYS A 125 9.977 -2.184 -11.045 1.00 72.03 C ATOM 2087 C LYS A 125 11.182 -2.646 -10.207 1.00 64.24 C ATOM 2088 O LYS A 125 11.806 -1.831 -9.531 1.00 21.30 O ATOM 2089 CB LYS A 125 10.351 -1.718 -12.474 1.00 73.22 C ATOM 2090 CG LYS A 125 10.890 -2.816 -13.411 1.00 42.33 C ATOM 2091 CD LYS A 125 12.417 -2.998 -13.394 1.00 22.14 C ATOM 2092 CE LYS A 125 12.827 -4.399 -13.872 1.00 53.41 C ATOM 2093 NZ LYS A 125 14.276 -4.613 -13.745 1.00 45.34 N1+ ATOM 0 H LYS A 125 9.849 -0.479 -9.839 1.00 51.44 H new ATOM 0 HA LYS A 125 9.343 -3.063 -11.157 1.00 72.03 H new ATOM 0 HB2 LYS A 125 9.469 -1.273 -12.934 1.00 73.22 H new ATOM 0 HB3 LYS A 125 11.101 -0.931 -12.396 1.00 73.22 H new ATOM 0 HG2 LYS A 125 10.424 -3.763 -13.140 1.00 42.33 H new ATOM 0 HG3 LYS A 125 10.578 -2.587 -14.430 1.00 42.33 H new ATOM 0 HD2 LYS A 125 12.880 -2.246 -14.032 1.00 22.14 H new ATOM 0 HD3 LYS A 125 12.792 -2.834 -12.384 1.00 22.14 H new ATOM 0 HE2 LYS A 125 12.295 -5.152 -13.291 1.00 53.41 H new ATOM 0 HE3 LYS A 125 12.529 -4.531 -14.912 1.00 53.41 H new ATOM 0 HZ1 LYS A 125 14.514 -5.575 -14.061 1.00 45.34 H new ATOM 0 HZ2 LYS A 125 14.782 -3.920 -14.333 1.00 45.34 H new ATOM 0 HZ3 LYS A 125 14.558 -4.495 -12.751 1.00 45.34 H new ATOM 2107 N ARG A 126 11.465 -3.958 -10.268 1.00 3.51 N ATOM 2108 CA ARG A 126 12.403 -4.692 -9.415 1.00 31.02 C ATOM 2109 C ARG A 126 13.867 -4.271 -9.594 1.00 63.35 C ATOM 2110 O ARG A 126 14.332 -4.114 -10.723 1.00 31.35 O ATOM 2111 CB ARG A 126 12.191 -6.207 -9.614 1.00 1.25 C ATOM 2112 CG ARG A 126 13.000 -7.119 -8.669 1.00 25.20 C ATOM 2113 CD ARG A 126 12.234 -8.363 -8.185 1.00 61.54 C ATOM 2114 NE ARG A 126 11.955 -9.316 -9.266 1.00 13.10 N ATOM 2115 CZ ARG A 126 12.826 -10.198 -9.782 1.00 1.14 C ATOM 2116 NH1 ARG A 126 14.082 -10.288 -9.323 1.00 52.44 N1+ ATOM 2117 NH2 ARG A 126 12.427 -11.005 -10.772 1.00 75.52 N ATOM 0 H ARG A 126 11.018 -4.565 -10.954 1.00 3.51 H new ATOM 0 HA ARG A 126 12.182 -4.434 -8.379 1.00 31.02 H new ATOM 0 HB2 ARG A 126 11.131 -6.428 -9.486 1.00 1.25 H new ATOM 0 HB3 ARG A 126 12.447 -6.460 -10.643 1.00 1.25 H new ATOM 0 HG2 ARG A 126 13.907 -7.441 -9.181 1.00 25.20 H new ATOM 0 HG3 ARG A 126 13.313 -6.538 -7.801 1.00 25.20 H new ATOM 0 HD2 ARG A 126 12.814 -8.861 -7.408 1.00 61.54 H new ATOM 0 HD3 ARG A 126 11.294 -8.051 -7.730 1.00 61.54 H new ATOM 0 HE ARG A 126 11.015 -9.307 -9.661 1.00 13.10 H new ATOM 0 HH11 ARG A 126 14.393 -9.679 -8.566 1.00 52.44 H new ATOM 0 HH12 ARG A 126 14.726 -10.966 -9.730 1.00 52.44 H new ATOM 0 HH21 ARG A 126 11.472 -10.945 -11.125 1.00 75.52 H new ATOM 0 HH22 ARG A 126 13.078 -11.680 -11.174 1.00 75.52 H new ATOM 2131 N ILE A 127 14.567 -4.136 -8.455 1.00 3.34 N ATOM 2132 CA ILE A 127 15.990 -3.777 -8.354 1.00 44.01 C ATOM 2133 C ILE A 127 16.795 -5.072 -8.300 1.00 43.14 C ATOM 2134 O ILE A 127 16.324 -6.187 -8.059 1.00 12.22 O ATOM 2135 CB ILE A 127 16.314 -2.863 -7.124 1.00 74.44 C ATOM 2136 CG1 ILE A 127 15.194 -1.851 -6.785 1.00 63.15 C ATOM 2137 CG2 ILE A 127 17.660 -2.134 -7.341 1.00 51.55 C ATOM 2138 CD1 ILE A 127 15.490 -0.935 -5.590 1.00 14.32 C ATOM 0 H ILE A 127 14.137 -4.280 -7.541 1.00 3.34 H new ATOM 0 HA ILE A 127 16.261 -3.185 -9.228 1.00 44.01 H new ATOM 0 HB ILE A 127 16.388 -3.525 -6.261 1.00 74.44 H new ATOM 0 HG12 ILE A 127 15.007 -1.231 -7.662 1.00 63.15 H new ATOM 0 HG13 ILE A 127 14.276 -2.402 -6.583 1.00 63.15 H new ATOM 0 HG21 ILE A 127 17.874 -1.502 -6.479 1.00 51.55 H new ATOM 0 HG22 ILE A 127 18.457 -2.868 -7.459 1.00 51.55 H new ATOM 0 HG23 ILE A 127 17.599 -1.517 -8.238 1.00 51.55 H new ATOM 0 HD11 ILE A 127 14.648 -0.262 -5.430 1.00 14.32 H new ATOM 0 HD12 ILE A 127 15.645 -1.541 -4.697 1.00 14.32 H new ATOM 0 HD13 ILE A 127 16.388 -0.351 -5.793 1.00 14.32 H new