USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 648 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= -0.0143 (180deg=-0.208) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= -0.809 (180deg=-2.24!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -170:sc= -0.342 USER MOD Single : A 38 SER OG : rot 180:sc= -3.03! USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.794 F(o=-1.8!,f=-0.79) USER MOD Single : A 66 ASN : amide:sc= -1.13 K(o=-1.1,f=-5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 175:sc= 1.51 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.618 X(o=-0.62,f=-0.32) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.0999 K(o=-0.1,f=-2.1!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 4.741 3.359 12.052 1.00 0.00 N ATOM 67 CA LYS A 8 3.740 3.673 11.038 1.00 0.00 C ATOM 68 C LYS A 8 4.272 3.378 9.639 1.00 0.00 C ATOM 69 O LYS A 8 3.625 3.692 8.640 1.00 0.00 O ATOM 70 CB LYS A 8 3.326 5.142 11.139 1.00 0.00 C ATOM 71 CG LYS A 8 3.153 5.629 12.567 1.00 0.00 C ATOM 72 CD LYS A 8 1.775 5.289 13.109 1.00 0.00 C ATOM 73 CE LYS A 8 1.444 6.109 14.346 1.00 0.00 C ATOM 74 NZ LYS A 8 0.136 5.715 14.940 1.00 0.00 N ATOM 0 HA LYS A 8 2.868 3.043 11.216 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.077 5.757 10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.390 5.285 10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.916 5.178 13.201 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.304 6.708 12.605 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.025 5.471 12.339 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.730 4.227 13.352 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.233 5.982 15.088 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.420 7.167 14.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.053 6.297 15.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.620 5.860 14.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.167 4.712 15.213 1.00 0.00 H new ATOM 88 N VAL A 9 5.454 2.772 9.576 1.00 0.00 N ATOM 89 CA VAL A 9 6.071 2.433 8.299 1.00 0.00 C ATOM 90 C VAL A 9 6.706 1.048 8.347 1.00 0.00 C ATOM 91 O VAL A 9 6.641 0.357 9.364 1.00 0.00 O ATOM 92 CB VAL A 9 7.143 3.464 7.902 1.00 0.00 C ATOM 93 CG1 VAL A 9 6.573 4.874 7.952 1.00 0.00 C ATOM 94 CG2 VAL A 9 8.361 3.341 8.805 1.00 0.00 C ATOM 0 H VAL A 9 6.003 2.506 10.394 1.00 0.00 H new ATOM 0 HA VAL A 9 5.277 2.440 7.552 1.00 0.00 H new ATOM 0 HB VAL A 9 7.456 3.260 6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.345 5.589 7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.734 4.952 7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.230 5.092 8.963 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.109 4.077 8.510 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.066 3.518 9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.782 2.340 8.714 1.00 0.00 H new ATOM 104 N LYS A 10 7.323 0.647 7.240 1.00 0.00 N ATOM 105 CA LYS A 10 7.973 -0.655 7.154 1.00 0.00 C ATOM 106 C LYS A 10 8.891 -0.726 5.938 1.00 0.00 C ATOM 107 O LYS A 10 8.532 -0.272 4.851 1.00 0.00 O ATOM 108 CB LYS A 10 6.925 -1.768 7.082 1.00 0.00 C ATOM 109 CG LYS A 10 7.453 -3.129 7.501 1.00 0.00 C ATOM 110 CD LYS A 10 6.322 -4.102 7.784 1.00 0.00 C ATOM 111 CE LYS A 10 6.846 -5.425 8.323 1.00 0.00 C ATOM 112 NZ LYS A 10 7.483 -5.266 9.659 1.00 0.00 N ATOM 0 H LYS A 10 7.386 1.206 6.389 1.00 0.00 H new ATOM 0 HA LYS A 10 8.577 -0.791 8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.081 -1.503 7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.546 -1.833 6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.091 -3.531 6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.073 -3.022 8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.633 -3.661 8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.756 -4.279 6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.025 -6.139 8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.570 -5.841 7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.597 -6.200 10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.416 -4.820 9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.882 -4.667 10.261 1.00 0.00 H new ATOM 126 N SER A 11 10.075 -1.299 6.128 1.00 0.00 N ATOM 127 CA SER A 11 11.044 -1.427 5.046 1.00 0.00 C ATOM 128 C SER A 11 11.800 -2.749 5.148 1.00 0.00 C ATOM 129 O SER A 11 12.036 -3.259 6.242 1.00 0.00 O ATOM 130 CB SER A 11 12.031 -0.259 5.076 1.00 0.00 C ATOM 131 OG SER A 11 12.707 -0.194 6.320 1.00 0.00 O ATOM 0 H SER A 11 10.386 -1.682 7.021 1.00 0.00 H new ATOM 0 HA SER A 11 10.501 -1.410 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.756 -0.371 4.270 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.499 0.676 4.899 1.00 0.00 H new ATOM 0 HG SER A 11 13.333 0.560 6.313 1.00 0.00 H new ATOM 137 N GLY A 12 12.178 -3.298 3.997 1.00 0.00 N ATOM 138 CA GLY A 12 12.903 -4.555 3.977 1.00 0.00 C ATOM 139 C GLY A 12 12.876 -5.218 2.615 1.00 0.00 C ATOM 140 O GLY A 12 12.056 -4.871 1.764 1.00 0.00 O ATOM 0 H GLY A 12 11.995 -2.894 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.938 -4.379 4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.472 -5.231 4.715 1.00 0.00 H new ATOM 144 N TRP A 13 13.774 -6.174 2.406 1.00 0.00 N ATOM 145 CA TRP A 13 13.851 -6.886 1.136 1.00 0.00 C ATOM 146 C TRP A 13 12.613 -7.749 0.920 1.00 0.00 C ATOM 147 O TRP A 13 12.434 -8.773 1.582 1.00 0.00 O ATOM 148 CB TRP A 13 15.108 -7.756 1.091 1.00 0.00 C ATOM 149 CG TRP A 13 16.378 -6.962 1.029 1.00 0.00 C ATOM 150 CD1 TRP A 13 17.158 -6.580 2.082 1.00 0.00 C ATOM 151 CD2 TRP A 13 17.013 -6.452 -0.149 1.00 0.00 C ATOM 152 NE1 TRP A 13 18.240 -5.863 1.631 1.00 0.00 N ATOM 153 CE2 TRP A 13 18.174 -5.771 0.266 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.714 -6.506 -1.513 1.00 0.00 C ATOM 155 CZ2 TRP A 13 19.034 -5.149 -0.636 1.00 0.00 C ATOM 156 CZ3 TRP A 13 17.568 -5.888 -2.407 1.00 0.00 C ATOM 157 CH2 TRP A 13 18.717 -5.217 -1.965 1.00 0.00 C ATOM 0 H TRP A 13 14.459 -6.474 3.100 1.00 0.00 H new ATOM 0 HA TRP A 13 13.900 -6.147 0.336 1.00 0.00 H new ATOM 0 HB2 TRP A 13 15.130 -8.395 1.973 1.00 0.00 H new ATOM 0 HB3 TRP A 13 15.056 -8.413 0.223 1.00 0.00 H new ATOM 0 HD1 TRP A 13 16.955 -6.808 3.118 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.973 -5.464 2.217 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.832 -7.021 -1.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.920 -4.631 -0.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 17.347 -5.923 -3.463 1.00 0.00 H new ATOM 0 HH2 TRP A 13 19.365 -4.744 -2.688 1.00 0.00 H new ATOM 168 N LEU A 14 11.760 -7.331 -0.009 1.00 0.00 N ATOM 169 CA LEU A 14 10.538 -8.067 -0.312 1.00 0.00 C ATOM 170 C LEU A 14 10.632 -8.742 -1.677 1.00 0.00 C ATOM 171 O LEU A 14 11.236 -8.204 -2.606 1.00 0.00 O ATOM 172 CB LEU A 14 9.331 -7.127 -0.278 1.00 0.00 C ATOM 173 CG LEU A 14 9.006 -6.502 1.079 1.00 0.00 C ATOM 174 CD1 LEU A 14 7.863 -5.507 0.948 1.00 0.00 C ATOM 175 CD2 LEU A 14 8.663 -7.581 2.095 1.00 0.00 C ATOM 0 H LEU A 14 11.892 -6.486 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 14 10.412 -8.839 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.501 -6.323 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.456 -7.679 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 14 9.888 -5.967 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.645 -5.072 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.147 -4.716 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.977 -6.018 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.435 -7.118 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.797 -8.145 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.512 -8.255 2.210 1.00 0.00 H new ATOM 187 N ASP A 15 10.031 -9.921 -1.791 1.00 0.00 N ATOM 188 CA ASP A 15 10.045 -10.668 -3.044 1.00 0.00 C ATOM 189 C ASP A 15 8.736 -10.478 -3.803 1.00 0.00 C ATOM 190 O ASP A 15 7.652 -10.699 -3.261 1.00 0.00 O ATOM 191 CB ASP A 15 10.281 -12.155 -2.773 1.00 0.00 C ATOM 192 CG ASP A 15 11.748 -12.481 -2.577 1.00 0.00 C ATOM 193 OD1 ASP A 15 12.370 -11.898 -1.664 1.00 0.00 O ATOM 194 OD2 ASP A 15 12.275 -13.321 -3.336 1.00 0.00 O ATOM 0 H ASP A 15 9.528 -10.380 -1.032 1.00 0.00 H new ATOM 0 HA ASP A 15 10.860 -10.285 -3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.724 -12.453 -1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.890 -12.740 -3.605 1.00 0.00 H new ATOM 199 N LYS A 16 8.842 -10.067 -5.062 1.00 0.00 N ATOM 200 CA LYS A 16 7.668 -9.847 -5.898 1.00 0.00 C ATOM 201 C LYS A 16 7.622 -10.850 -7.046 1.00 0.00 C ATOM 202 O LYS A 16 8.643 -11.431 -7.418 1.00 0.00 O ATOM 203 CB LYS A 16 7.671 -8.421 -6.453 1.00 0.00 C ATOM 204 CG LYS A 16 6.282 -7.876 -6.738 1.00 0.00 C ATOM 205 CD LYS A 16 6.335 -6.432 -7.208 1.00 0.00 C ATOM 206 CE LYS A 16 4.991 -5.973 -7.752 1.00 0.00 C ATOM 207 NZ LYS A 16 5.042 -4.569 -8.245 1.00 0.00 N ATOM 0 H LYS A 16 9.731 -9.879 -5.526 1.00 0.00 H new ATOM 0 HA LYS A 16 6.781 -9.988 -5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.171 -7.764 -5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.256 -8.399 -7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.798 -8.489 -7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.672 -7.944 -5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.632 -5.789 -6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.096 -6.328 -7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.684 -6.632 -8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.235 -6.056 -6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.107 -4.294 -8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.310 -3.936 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.745 -4.494 -9.008 1.00 0.00 H new ATOM 221 N LEU A 17 6.434 -11.048 -7.606 1.00 0.00 N ATOM 222 CA LEU A 17 6.255 -11.981 -8.714 1.00 0.00 C ATOM 223 C LEU A 17 5.894 -11.239 -9.996 1.00 0.00 C ATOM 224 O LEU A 17 4.717 -11.071 -10.318 1.00 0.00 O ATOM 225 CB LEU A 17 5.166 -13.001 -8.377 1.00 0.00 C ATOM 226 CG LEU A 17 5.156 -14.275 -9.223 1.00 0.00 C ATOM 227 CD1 LEU A 17 6.382 -15.124 -8.924 1.00 0.00 C ATOM 228 CD2 LEU A 17 3.882 -15.069 -8.974 1.00 0.00 C ATOM 0 H LEU A 17 5.580 -10.575 -7.311 1.00 0.00 H new ATOM 0 HA LEU A 17 7.198 -12.505 -8.872 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.273 -13.285 -7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.196 -12.514 -8.478 1.00 0.00 H new ATOM 0 HG LEU A 17 5.184 -13.991 -10.275 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.358 -16.026 -9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.283 -14.555 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.385 -15.400 -7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.891 -15.972 -9.584 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.824 -15.343 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.017 -14.461 -9.239 1.00 0.00 H new ATOM 372 N GLN A 26 11.451 -11.796 -7.746 1.00 0.00 N ATOM 373 CA GLN A 26 12.424 -10.714 -7.849 1.00 0.00 C ATOM 374 C GLN A 26 12.708 -10.105 -6.479 1.00 0.00 C ATOM 375 O GLN A 26 11.843 -10.090 -5.603 1.00 0.00 O ATOM 376 CB GLN A 26 11.916 -9.633 -8.805 1.00 0.00 C ATOM 377 CG GLN A 26 12.962 -8.583 -9.146 1.00 0.00 C ATOM 378 CD GLN A 26 13.864 -9.008 -10.288 1.00 0.00 C ATOM 379 OE1 GLN A 26 13.446 -9.738 -11.186 1.00 0.00 O ATOM 380 NE2 GLN A 26 15.111 -8.551 -10.259 1.00 0.00 N ATOM 0 HA GLN A 26 13.352 -11.130 -8.241 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.574 -10.105 -9.726 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.052 -9.141 -8.358 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.463 -7.651 -9.410 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.570 -8.381 -8.264 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.415 -7.948 -9.495 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.764 -8.803 -11.001 1.00 0.00 H new ATOM 389 N LYS A 27 13.925 -9.605 -6.301 1.00 0.00 N ATOM 390 CA LYS A 27 14.325 -8.994 -5.038 1.00 0.00 C ATOM 391 C LYS A 27 14.629 -7.511 -5.224 1.00 0.00 C ATOM 392 O LYS A 27 15.527 -7.142 -5.981 1.00 0.00 O ATOM 393 CB LYS A 27 15.551 -9.709 -4.467 1.00 0.00 C ATOM 394 CG LYS A 27 16.014 -9.151 -3.133 1.00 0.00 C ATOM 395 CD LYS A 27 16.932 -10.123 -2.410 1.00 0.00 C ATOM 396 CE LYS A 27 16.142 -11.188 -1.666 1.00 0.00 C ATOM 397 NZ LYS A 27 15.671 -10.704 -0.339 1.00 0.00 N ATOM 0 H LYS A 27 14.653 -9.610 -7.016 1.00 0.00 H new ATOM 0 HA LYS A 27 13.496 -9.092 -4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.321 -10.768 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.369 -9.639 -5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.536 -8.208 -3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.148 -8.934 -2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.598 -10.599 -3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.560 -9.577 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.285 -11.490 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.764 -12.073 -1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.591 -11.508 0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.351 -10.015 0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.741 -10.250 -0.445 1.00 0.00 H new ATOM 411 N ARG A 28 13.877 -6.665 -4.527 1.00 0.00 N ATOM 412 CA ARG A 28 14.067 -5.222 -4.615 1.00 0.00 C ATOM 413 C ARG A 28 13.738 -4.548 -3.287 1.00 0.00 C ATOM 414 O ARG A 28 12.735 -4.869 -2.649 1.00 0.00 O ATOM 415 CB ARG A 28 13.193 -4.638 -5.727 1.00 0.00 C ATOM 416 CG ARG A 28 13.892 -4.558 -7.074 1.00 0.00 C ATOM 417 CD ARG A 28 12.914 -4.748 -8.222 1.00 0.00 C ATOM 418 NE ARG A 28 12.347 -3.480 -8.673 1.00 0.00 N ATOM 419 CZ ARG A 28 11.686 -3.336 -9.817 1.00 0.00 C ATOM 420 NH1 ARG A 28 11.510 -4.377 -10.620 1.00 0.00 N ATOM 421 NH2 ARG A 28 11.199 -2.150 -10.158 1.00 0.00 N ATOM 0 H ARG A 28 13.130 -6.954 -3.895 1.00 0.00 H new ATOM 0 HA ARG A 28 15.115 -5.032 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.295 -5.247 -5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.869 -3.639 -5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.386 -3.591 -7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.670 -5.320 -7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.422 -5.234 -9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.110 -5.413 -7.907 1.00 0.00 H new ATOM 0 HE ARG A 28 12.465 -2.660 -8.078 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.882 -5.290 -10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.002 -4.264 -11.497 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.332 -1.348 -9.542 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.692 -2.040 -11.036 1.00 0.00 H new ATOM 435 N TRP A 29 14.588 -3.614 -2.876 1.00 0.00 N ATOM 436 CA TRP A 29 14.387 -2.895 -1.623 1.00 0.00 C ATOM 437 C TRP A 29 13.098 -2.083 -1.662 1.00 0.00 C ATOM 438 O TRP A 29 12.899 -1.258 -2.554 1.00 0.00 O ATOM 439 CB TRP A 29 15.576 -1.975 -1.344 1.00 0.00 C ATOM 440 CG TRP A 29 15.336 -1.021 -0.212 1.00 0.00 C ATOM 441 CD1 TRP A 29 14.702 0.186 -0.279 1.00 0.00 C ATOM 442 CD2 TRP A 29 15.728 -1.196 1.153 1.00 0.00 C ATOM 443 NE1 TRP A 29 14.676 0.773 0.963 1.00 0.00 N ATOM 444 CE2 TRP A 29 15.298 -0.055 1.859 1.00 0.00 C ATOM 445 CE3 TRP A 29 16.398 -2.206 1.849 1.00 0.00 C ATOM 446 CZ2 TRP A 29 15.519 0.102 3.225 1.00 0.00 C ATOM 447 CZ3 TRP A 29 16.616 -2.048 3.205 1.00 0.00 C ATOM 448 CH2 TRP A 29 16.178 -0.902 3.881 1.00 0.00 C ATOM 0 H TRP A 29 15.423 -3.337 -3.392 1.00 0.00 H new ATOM 0 HA TRP A 29 14.307 -3.628 -0.820 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.452 -2.583 -1.118 1.00 0.00 H new ATOM 0 HB3 TRP A 29 15.807 -1.407 -2.246 1.00 0.00 H new ATOM 0 HD1 TRP A 29 14.282 0.616 -1.176 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.261 1.679 1.182 1.00 0.00 H new ATOM 0 HE3 TRP A 29 16.739 -3.094 1.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 15.182 0.985 3.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 17.133 -2.822 3.753 1.00 0.00 H new ATOM 0 HH2 TRP A 29 16.364 -0.809 4.941 1.00 0.00 H new ATOM 459 N VAL A 30 12.223 -2.321 -0.690 1.00 0.00 N ATOM 460 CA VAL A 30 10.953 -1.610 -0.613 1.00 0.00 C ATOM 461 C VAL A 30 10.890 -0.731 0.631 1.00 0.00 C ATOM 462 O VAL A 30 11.602 -0.965 1.607 1.00 0.00 O ATOM 463 CB VAL A 30 9.763 -2.588 -0.597 1.00 0.00 C ATOM 464 CG1 VAL A 30 8.446 -1.828 -0.655 1.00 0.00 C ATOM 465 CG2 VAL A 30 9.869 -3.575 -1.750 1.00 0.00 C ATOM 0 H VAL A 30 12.371 -3.001 0.055 1.00 0.00 H new ATOM 0 HA VAL A 30 10.887 -0.982 -1.502 1.00 0.00 H new ATOM 0 HB VAL A 30 9.790 -3.150 0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.617 -2.535 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.370 -1.165 0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.406 -1.238 -1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.020 -4.258 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.868 -3.032 -2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.795 -4.143 -1.659 1.00 0.00 H new ATOM 475 N LYS A 31 10.032 0.283 0.588 1.00 0.00 N ATOM 476 CA LYS A 31 9.874 1.199 1.712 1.00 0.00 C ATOM 477 C LYS A 31 8.536 1.929 1.634 1.00 0.00 C ATOM 478 O LYS A 31 8.093 2.320 0.554 1.00 0.00 O ATOM 479 CB LYS A 31 11.019 2.213 1.736 1.00 0.00 C ATOM 480 CG LYS A 31 10.862 3.284 2.801 1.00 0.00 C ATOM 481 CD LYS A 31 11.513 4.591 2.379 1.00 0.00 C ATOM 482 CE LYS A 31 10.952 5.770 3.159 1.00 0.00 C ATOM 483 NZ LYS A 31 11.810 6.980 3.026 1.00 0.00 N ATOM 0 H LYS A 31 9.436 0.491 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 31 9.897 0.614 2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.958 1.684 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.090 2.692 0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.803 3.451 2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.308 2.939 3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.590 4.529 2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.354 4.750 1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.947 5.996 2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.864 5.501 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.395 7.762 3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.762 6.772 3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.873 7.252 2.024 1.00 0.00 H new ATOM 497 N PHE A 32 7.899 2.110 2.786 1.00 0.00 N ATOM 498 CA PHE A 32 6.612 2.793 2.848 1.00 0.00 C ATOM 499 C PHE A 32 6.691 4.021 3.751 1.00 0.00 C ATOM 500 O PHE A 32 7.311 3.984 4.814 1.00 0.00 O ATOM 501 CB PHE A 32 5.529 1.841 3.358 1.00 0.00 C ATOM 502 CG PHE A 32 4.150 2.438 3.345 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.580 2.871 2.159 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.425 2.566 4.518 1.00 0.00 C ATOM 505 CE1 PHE A 32 2.313 3.421 2.144 1.00 0.00 C ATOM 506 CE2 PHE A 32 2.157 3.116 4.510 1.00 0.00 C ATOM 507 CZ PHE A 32 1.600 3.543 3.321 1.00 0.00 C ATOM 0 H PHE A 32 8.253 1.793 3.689 1.00 0.00 H new ATOM 0 HA PHE A 32 6.354 3.120 1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.532 0.939 2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.774 1.536 4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.132 2.778 1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.856 2.232 5.450 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.880 3.755 1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.603 3.212 5.432 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.609 3.972 3.311 1.00 0.00 H new ATOM 517 N ASP A 33 6.061 5.108 3.318 1.00 0.00 N ATOM 518 CA ASP A 33 6.059 6.347 4.086 1.00 0.00 C ATOM 519 C ASP A 33 4.668 6.643 4.638 1.00 0.00 C ATOM 520 O ASP A 33 4.525 7.273 5.685 1.00 0.00 O ATOM 521 CB ASP A 33 6.534 7.512 3.216 1.00 0.00 C ATOM 522 CG ASP A 33 6.792 8.769 4.022 1.00 0.00 C ATOM 523 OD1 ASP A 33 5.848 9.568 4.196 1.00 0.00 O ATOM 524 OD2 ASP A 33 7.939 8.954 4.481 1.00 0.00 O ATOM 0 H ASP A 33 5.545 5.156 2.439 1.00 0.00 H new ATOM 0 HA ASP A 33 6.745 6.226 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.447 7.224 2.695 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.784 7.721 2.453 1.00 0.00 H new ATOM 529 N GLY A 34 3.644 6.183 3.925 1.00 0.00 N ATOM 530 CA GLY A 34 2.277 6.409 4.358 1.00 0.00 C ATOM 531 C GLY A 34 1.402 6.961 3.251 1.00 0.00 C ATOM 532 O GLY A 34 0.175 6.966 3.364 1.00 0.00 O ATOM 0 H GLY A 34 3.737 5.658 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.854 5.471 4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.275 7.103 5.198 1.00 0.00 H new ATOM 536 N LEU A 35 2.031 7.429 2.179 1.00 0.00 N ATOM 537 CA LEU A 35 1.301 7.989 1.047 1.00 0.00 C ATOM 538 C LEU A 35 1.298 7.020 -0.131 1.00 0.00 C ATOM 539 O LEU A 35 0.274 6.828 -0.787 1.00 0.00 O ATOM 540 CB LEU A 35 1.921 9.321 0.623 1.00 0.00 C ATOM 541 CG LEU A 35 1.646 10.512 1.542 1.00 0.00 C ATOM 542 CD1 LEU A 35 2.779 11.523 1.460 1.00 0.00 C ATOM 543 CD2 LEU A 35 0.319 11.165 1.185 1.00 0.00 C ATOM 0 H LEU A 35 3.045 7.432 2.070 1.00 0.00 H new ATOM 0 HA LEU A 35 0.270 8.158 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.000 9.188 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.558 9.566 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 35 1.585 10.148 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.565 12.363 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.712 11.049 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.873 11.882 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.139 12.011 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.351 11.514 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.486 10.438 1.297 1.00 0.00 H new ATOM 555 N SER A 36 2.449 6.409 -0.392 1.00 0.00 N ATOM 556 CA SER A 36 2.579 5.460 -1.492 1.00 0.00 C ATOM 557 C SER A 36 3.718 4.479 -1.231 1.00 0.00 C ATOM 558 O SER A 36 4.441 4.600 -0.242 1.00 0.00 O ATOM 559 CB SER A 36 2.822 6.202 -2.808 1.00 0.00 C ATOM 560 OG SER A 36 3.880 7.136 -2.679 1.00 0.00 O ATOM 0 H SER A 36 3.305 6.554 0.143 1.00 0.00 H new ATOM 0 HA SER A 36 1.648 4.898 -1.566 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.059 5.486 -3.595 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.911 6.719 -3.111 1.00 0.00 H new ATOM 0 HG SER A 36 3.913 7.705 -3.476 1.00 0.00 H new ATOM 566 N ILE A 37 3.870 3.508 -2.125 1.00 0.00 N ATOM 567 CA ILE A 37 4.921 2.507 -1.993 1.00 0.00 C ATOM 568 C ILE A 37 5.997 2.695 -3.057 1.00 0.00 C ATOM 569 O ILE A 37 5.786 2.387 -4.230 1.00 0.00 O ATOM 570 CB ILE A 37 4.354 1.079 -2.100 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.252 0.865 -1.061 1.00 0.00 C ATOM 572 CG2 ILE A 37 5.464 0.054 -1.921 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.394 -0.351 -1.331 1.00 0.00 C ATOM 0 H ILE A 37 3.279 3.393 -2.948 1.00 0.00 H new ATOM 0 HA ILE A 37 5.363 2.642 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 37 3.922 0.949 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.707 0.767 -0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.615 1.749 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.048 -0.950 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.218 0.196 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.922 0.182 -0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.634 -0.440 -0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.910 -0.246 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.019 -1.244 -1.331 1.00 0.00 H new ATOM 585 N SER A 38 7.152 3.203 -2.639 1.00 0.00 N ATOM 586 CA SER A 38 8.262 3.435 -3.556 1.00 0.00 C ATOM 587 C SER A 38 9.439 2.521 -3.227 1.00 0.00 C ATOM 588 O SER A 38 10.035 2.620 -2.154 1.00 0.00 O ATOM 589 CB SER A 38 8.705 4.898 -3.495 1.00 0.00 C ATOM 590 OG SER A 38 7.652 5.766 -3.876 1.00 0.00 O ATOM 0 H SER A 38 7.344 3.462 -1.671 1.00 0.00 H new ATOM 0 HA SER A 38 7.920 3.209 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.032 5.140 -2.484 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.561 5.050 -4.152 1.00 0.00 H new ATOM 0 HG SER A 38 7.960 6.695 -3.827 1.00 0.00 H new ATOM 596 N TYR A 39 9.767 1.632 -4.157 1.00 0.00 N ATOM 597 CA TYR A 39 10.871 0.698 -3.966 1.00 0.00 C ATOM 598 C TYR A 39 11.944 0.897 -5.033 1.00 0.00 C ATOM 599 O TYR A 39 11.641 1.222 -6.181 1.00 0.00 O ATOM 600 CB TYR A 39 10.360 -0.743 -4.003 1.00 0.00 C ATOM 601 CG TYR A 39 9.544 -1.064 -5.235 1.00 0.00 C ATOM 602 CD1 TYR A 39 8.210 -0.686 -5.326 1.00 0.00 C ATOM 603 CD2 TYR A 39 10.106 -1.747 -6.306 1.00 0.00 C ATOM 604 CE1 TYR A 39 7.460 -0.978 -6.449 1.00 0.00 C ATOM 605 CE2 TYR A 39 9.364 -2.041 -7.434 1.00 0.00 C ATOM 606 CZ TYR A 39 8.042 -1.655 -7.501 1.00 0.00 C ATOM 607 OH TYR A 39 7.299 -1.948 -8.621 1.00 0.00 O ATOM 0 H TYR A 39 9.285 1.538 -5.051 1.00 0.00 H new ATOM 0 HA TYR A 39 11.314 0.894 -2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 39 11.211 -1.423 -3.953 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.753 -0.927 -3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.752 -0.155 -4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.140 -2.053 -6.256 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.424 -0.678 -6.503 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.817 -2.570 -8.259 1.00 0.00 H new ATOM 0 HH TYR A 39 7.858 -2.426 -9.268 1.00 0.00 H new ATOM 617 N TYR A 40 13.198 0.699 -4.644 1.00 0.00 N ATOM 618 CA TYR A 40 14.317 0.858 -5.565 1.00 0.00 C ATOM 619 C TYR A 40 15.018 -0.476 -5.806 1.00 0.00 C ATOM 620 O TYR A 40 14.744 -1.465 -5.128 1.00 0.00 O ATOM 621 CB TYR A 40 15.316 1.879 -5.017 1.00 0.00 C ATOM 622 CG TYR A 40 14.662 3.105 -4.421 1.00 0.00 C ATOM 623 CD1 TYR A 40 14.122 3.076 -3.141 1.00 0.00 C ATOM 624 CD2 TYR A 40 14.584 4.293 -5.137 1.00 0.00 C ATOM 625 CE1 TYR A 40 13.523 4.193 -2.592 1.00 0.00 C ATOM 626 CE2 TYR A 40 13.988 5.416 -4.596 1.00 0.00 C ATOM 627 CZ TYR A 40 13.459 5.361 -3.324 1.00 0.00 C ATOM 628 OH TYR A 40 12.864 6.477 -2.781 1.00 0.00 O ATOM 0 H TYR A 40 13.465 0.428 -3.698 1.00 0.00 H new ATOM 0 HA TYR A 40 13.923 1.219 -6.515 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.932 1.400 -4.256 1.00 0.00 H new ATOM 0 HB3 TYR A 40 15.985 2.188 -5.820 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.172 2.164 -2.565 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.996 4.340 -6.134 1.00 0.00 H new ATOM 0 HE1 TYR A 40 13.107 4.152 -1.596 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.937 6.332 -5.166 1.00 0.00 H new ATOM 0 HH TYR A 40 12.903 7.215 -3.425 1.00 0.00 H new ATOM 789 N GLY A 50 8.941 2.223 -10.517 1.00 0.00 N ATOM 790 CA GLY A 50 8.440 1.267 -9.547 1.00 0.00 C ATOM 791 C GLY A 50 7.832 1.938 -8.332 1.00 0.00 C ATOM 792 O GLY A 50 8.458 2.007 -7.274 1.00 0.00 O ATOM 0 HA2 GLY A 50 7.691 0.632 -10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.254 0.616 -9.229 1.00 0.00 H new ATOM 796 N ILE A 51 6.610 2.436 -8.483 1.00 0.00 N ATOM 797 CA ILE A 51 5.918 3.106 -7.389 1.00 0.00 C ATOM 798 C ILE A 51 4.415 2.854 -7.453 1.00 0.00 C ATOM 799 O ILE A 51 3.823 2.841 -8.532 1.00 0.00 O ATOM 800 CB ILE A 51 6.173 4.625 -7.407 1.00 0.00 C ATOM 801 CG1 ILE A 51 6.153 5.184 -5.983 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.137 5.326 -8.272 1.00 0.00 C ATOM 803 CD1 ILE A 51 4.777 5.609 -5.520 1.00 0.00 C ATOM 0 H ILE A 51 6.078 2.388 -9.352 1.00 0.00 H new ATOM 0 HA ILE A 51 6.315 2.690 -6.463 1.00 0.00 H new ATOM 0 HB ILE A 51 7.158 4.808 -7.835 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.540 4.429 -5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.826 6.039 -5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.331 6.399 -8.275 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.196 4.944 -9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.141 5.138 -7.871 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.839 5.995 -4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.395 6.387 -6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.105 4.751 -5.543 1.00 0.00 H new ATOM 815 N ILE A 52 3.804 2.657 -6.289 1.00 0.00 N ATOM 816 CA ILE A 52 2.370 2.409 -6.213 1.00 0.00 C ATOM 817 C ILE A 52 1.688 3.407 -5.283 1.00 0.00 C ATOM 818 O ILE A 52 1.900 3.408 -4.070 1.00 0.00 O ATOM 819 CB ILE A 52 2.071 0.980 -5.723 1.00 0.00 C ATOM 820 CG1 ILE A 52 2.808 -0.044 -6.588 1.00 0.00 C ATOM 821 CG2 ILE A 52 0.573 0.716 -5.740 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.164 -1.315 -5.849 1.00 0.00 C ATOM 0 H ILE A 52 4.280 2.664 -5.387 1.00 0.00 H new ATOM 0 HA ILE A 52 1.975 2.528 -7.222 1.00 0.00 H new ATOM 0 HB ILE A 52 2.425 0.883 -4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.187 -0.295 -7.448 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.721 0.409 -6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.378 -0.298 -5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.071 1.428 -5.085 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.195 0.829 -6.756 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.684 -1.995 -6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.811 -1.076 -5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.254 -1.791 -5.485 1.00 0.00 H new ATOM 834 N PRO A 53 0.847 4.276 -5.862 1.00 0.00 N ATOM 835 CA PRO A 53 0.114 5.294 -5.103 1.00 0.00 C ATOM 836 C PRO A 53 -0.968 4.688 -4.215 1.00 0.00 C ATOM 837 O PRO A 53 -1.854 3.980 -4.694 1.00 0.00 O ATOM 838 CB PRO A 53 -0.515 6.165 -6.193 1.00 0.00 C ATOM 839 CG PRO A 53 -0.630 5.267 -7.376 1.00 0.00 C ATOM 840 CD PRO A 53 0.546 4.332 -7.302 1.00 0.00 C ATOM 0 HA PRO A 53 0.766 5.843 -4.423 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.491 6.541 -5.885 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.106 7.033 -6.414 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.570 4.715 -7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.616 5.840 -8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.302 3.347 -7.700 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.394 4.707 -7.876 1.00 0.00 H new ATOM 848 N LEU A 54 -0.890 4.970 -2.919 1.00 0.00 N ATOM 849 CA LEU A 54 -1.863 4.453 -1.964 1.00 0.00 C ATOM 850 C LEU A 54 -3.267 4.455 -2.561 1.00 0.00 C ATOM 851 O LEU A 54 -4.054 3.539 -2.325 1.00 0.00 O ATOM 852 CB LEU A 54 -1.842 5.288 -0.682 1.00 0.00 C ATOM 853 CG LEU A 54 -2.994 5.048 0.295 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.670 3.894 1.230 1.00 0.00 C ATOM 855 CD2 LEU A 54 -3.293 6.312 1.087 1.00 0.00 C ATOM 0 H LEU A 54 -0.163 5.554 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.590 3.425 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.904 5.094 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.841 6.342 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.883 4.784 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.501 3.738 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.507 2.988 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.769 4.127 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.115 6.123 1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.407 6.607 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.571 7.113 0.402 1.00 0.00 H new ATOM 867 N SER A 55 -3.572 5.489 -3.339 1.00 0.00 N ATOM 868 CA SER A 55 -4.881 5.611 -3.969 1.00 0.00 C ATOM 869 C SER A 55 -5.217 4.356 -4.770 1.00 0.00 C ATOM 870 O SER A 55 -6.298 3.786 -4.627 1.00 0.00 O ATOM 871 CB SER A 55 -4.919 6.838 -4.882 1.00 0.00 C ATOM 872 OG SER A 55 -6.231 7.076 -5.362 1.00 0.00 O ATOM 0 H SER A 55 -2.930 6.254 -3.548 1.00 0.00 H new ATOM 0 HA SER A 55 -5.626 5.730 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.564 7.712 -4.336 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.242 6.690 -5.723 1.00 0.00 H new ATOM 0 HG SER A 55 -6.229 7.866 -5.942 1.00 0.00 H new ATOM 878 N ALA A 56 -4.282 3.932 -5.614 1.00 0.00 N ATOM 879 CA ALA A 56 -4.476 2.745 -6.436 1.00 0.00 C ATOM 880 C ALA A 56 -4.967 1.570 -5.597 1.00 0.00 C ATOM 881 O ALA A 56 -5.945 0.910 -5.949 1.00 0.00 O ATOM 882 CB ALA A 56 -3.184 2.381 -7.152 1.00 0.00 C ATOM 0 H ALA A 56 -3.382 4.394 -5.746 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.240 2.970 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.344 1.492 -7.762 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.876 3.209 -7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.405 2.181 -6.417 1.00 0.00 H new ATOM 888 N ILE A 57 -4.281 1.315 -4.488 1.00 0.00 N ATOM 889 CA ILE A 57 -4.649 0.219 -3.599 1.00 0.00 C ATOM 890 C ILE A 57 -6.144 0.230 -3.302 1.00 0.00 C ATOM 891 O ILE A 57 -6.705 1.260 -2.927 1.00 0.00 O ATOM 892 CB ILE A 57 -3.872 0.287 -2.271 1.00 0.00 C ATOM 893 CG1 ILE A 57 -2.365 0.245 -2.533 1.00 0.00 C ATOM 894 CG2 ILE A 57 -4.288 -0.854 -1.355 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.530 0.571 -1.315 1.00 0.00 C ATOM 0 H ILE A 57 -3.469 1.851 -4.184 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.391 -0.706 -4.115 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.109 1.229 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.095 -0.748 -2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.123 0.950 -3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.730 -0.792 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.355 -0.782 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.077 -1.806 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.473 0.522 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.772 1.575 -0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.743 -0.149 -0.525 1.00 0.00 H new ATOM 907 N SER A 58 -6.784 -0.923 -3.469 1.00 0.00 N ATOM 908 CA SER A 58 -8.215 -1.046 -3.221 1.00 0.00 C ATOM 909 C SER A 58 -8.479 -1.854 -1.954 1.00 0.00 C ATOM 910 O SER A 58 -9.312 -1.481 -1.127 1.00 0.00 O ATOM 911 CB SER A 58 -8.907 -1.708 -4.414 1.00 0.00 C ATOM 912 OG SER A 58 -9.328 -0.740 -5.360 1.00 0.00 O ATOM 0 H SER A 58 -6.334 -1.785 -3.775 1.00 0.00 H new ATOM 0 HA SER A 58 -8.622 -0.044 -3.085 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.225 -2.413 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.767 -2.281 -4.068 1.00 0.00 H new ATOM 0 HG SER A 58 -9.766 -1.188 -6.114 1.00 0.00 H new ATOM 918 N THR A 59 -7.763 -2.965 -1.808 1.00 0.00 N ATOM 919 CA THR A 59 -7.919 -3.827 -0.644 1.00 0.00 C ATOM 920 C THR A 59 -6.781 -4.837 -0.551 1.00 0.00 C ATOM 921 O THR A 59 -6.425 -5.479 -1.539 1.00 0.00 O ATOM 922 CB THR A 59 -9.260 -4.585 -0.681 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.592 -5.059 0.629 1.00 0.00 O ATOM 924 CG2 THR A 59 -9.193 -5.756 -1.649 1.00 0.00 C ATOM 0 H THR A 59 -7.069 -3.288 -2.482 1.00 0.00 H new ATOM 0 HA THR A 59 -7.900 -3.180 0.233 1.00 0.00 H new ATOM 0 HB THR A 59 -10.032 -3.896 -1.023 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.446 -5.538 0.597 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.151 -6.276 -1.658 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.970 -5.388 -2.651 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.409 -6.445 -1.333 1.00 0.00 H new ATOM 932 N VAL A 60 -6.213 -4.973 0.644 1.00 0.00 N ATOM 933 CA VAL A 60 -5.115 -5.906 0.866 1.00 0.00 C ATOM 934 C VAL A 60 -5.604 -7.176 1.555 1.00 0.00 C ATOM 935 O VAL A 60 -6.367 -7.116 2.520 1.00 0.00 O ATOM 936 CB VAL A 60 -4.001 -5.270 1.717 1.00 0.00 C ATOM 937 CG1 VAL A 60 -2.828 -6.227 1.864 1.00 0.00 C ATOM 938 CG2 VAL A 60 -3.551 -3.952 1.106 1.00 0.00 C ATOM 0 H VAL A 60 -6.495 -4.449 1.472 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.712 -6.160 -0.115 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.399 -5.066 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.051 -5.760 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.164 -7.143 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.427 -6.465 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.763 -3.516 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.171 -4.128 0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.396 -3.265 1.059 1.00 0.00 H new ATOM 948 N ARG A 61 -5.160 -8.323 1.053 1.00 0.00 N ATOM 949 CA ARG A 61 -5.553 -9.608 1.620 1.00 0.00 C ATOM 950 C ARG A 61 -4.377 -10.580 1.631 1.00 0.00 C ATOM 951 O ARG A 61 -3.392 -10.387 0.917 1.00 0.00 O ATOM 952 CB ARG A 61 -6.716 -10.205 0.826 1.00 0.00 C ATOM 953 CG ARG A 61 -6.639 -9.929 -0.667 1.00 0.00 C ATOM 954 CD ARG A 61 -7.910 -10.366 -1.380 1.00 0.00 C ATOM 955 NE ARG A 61 -9.089 -9.672 -0.870 1.00 0.00 N ATOM 956 CZ ARG A 61 -9.789 -10.086 0.180 1.00 0.00 C ATOM 957 NH1 ARG A 61 -9.429 -11.185 0.829 1.00 0.00 N ATOM 958 NH2 ARG A 61 -10.851 -9.401 0.583 1.00 0.00 N ATOM 0 H ARG A 61 -4.528 -8.389 0.255 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.873 -9.441 2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.739 -11.283 0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.653 -9.804 1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.475 -8.864 -0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.783 -10.454 -1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.810 -10.175 -2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.042 -11.441 -1.260 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.392 -8.822 -1.346 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.613 -11.714 0.522 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.968 -11.501 1.635 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.131 -8.555 0.086 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.388 -9.720 1.390 1.00 0.00 H new ATOM 972 N VAL A 62 -4.487 -11.625 2.445 1.00 0.00 N ATOM 973 CA VAL A 62 -3.433 -12.628 2.548 1.00 0.00 C ATOM 974 C VAL A 62 -3.617 -13.727 1.508 1.00 0.00 C ATOM 975 O VAL A 62 -4.742 -14.091 1.169 1.00 0.00 O ATOM 976 CB VAL A 62 -3.399 -13.264 3.951 1.00 0.00 C ATOM 977 CG1 VAL A 62 -3.096 -12.212 5.007 1.00 0.00 C ATOM 978 CG2 VAL A 62 -4.715 -13.966 4.249 1.00 0.00 C ATOM 0 H VAL A 62 -5.295 -11.799 3.043 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.489 -12.115 2.367 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.603 -14.008 3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.076 -12.680 5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.126 -11.758 4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.868 -11.443 4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.674 -14.410 5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.530 -13.244 4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.886 -14.749 3.510 1.00 0.00 H new ATOM 988 N GLN A 63 -2.504 -14.251 1.006 1.00 0.00 N ATOM 989 CA GLN A 63 -2.542 -15.309 0.003 1.00 0.00 C ATOM 990 C GLN A 63 -1.327 -16.222 0.128 1.00 0.00 C ATOM 991 O GLN A 63 -0.209 -15.758 0.347 1.00 0.00 O ATOM 992 CB GLN A 63 -2.601 -14.707 -1.402 1.00 0.00 C ATOM 993 CG GLN A 63 -3.984 -14.213 -1.795 1.00 0.00 C ATOM 994 CD GLN A 63 -4.215 -14.255 -3.292 1.00 0.00 C ATOM 995 OE1 GLN A 63 -3.179 -13.940 -4.061 1.00 0.00 O flip ATOM 996 NE2 GLN A 63 -5.313 -14.568 -3.754 1.00 0.00 N flip ATOM 0 H GLN A 63 -1.565 -13.960 1.277 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.439 -15.904 0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.897 -13.877 -1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.273 -15.456 -2.123 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.738 -14.823 -1.298 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.115 -13.191 -1.440 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.082 -14.803 -3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.453 -14.592 -4.764 1.00 0.00 H new ATOM 1005 N GLY A 64 -1.554 -17.525 -0.013 1.00 0.00 N ATOM 1006 CA GLY A 64 -0.469 -18.482 0.088 1.00 0.00 C ATOM 1007 C GLY A 64 -0.081 -18.770 1.525 1.00 0.00 C ATOM 1008 O GLY A 64 -0.944 -18.904 2.393 1.00 0.00 O ATOM 0 H GLY A 64 -2.470 -17.934 -0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.762 -19.412 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.399 -18.101 -0.450 1.00 0.00 H new ATOM 1012 N ASP A 65 1.219 -18.868 1.777 1.00 0.00 N ATOM 1013 CA ASP A 65 1.720 -19.143 3.119 1.00 0.00 C ATOM 1014 C ASP A 65 2.224 -17.866 3.783 1.00 0.00 C ATOM 1015 O ASP A 65 1.662 -17.407 4.776 1.00 0.00 O ATOM 1016 CB ASP A 65 2.840 -20.182 3.065 1.00 0.00 C ATOM 1017 CG ASP A 65 2.316 -21.589 2.854 1.00 0.00 C ATOM 1018 OD1 ASP A 65 1.582 -22.088 3.733 1.00 0.00 O ATOM 1019 OD2 ASP A 65 2.639 -22.191 1.808 1.00 0.00 O ATOM 0 H ASP A 65 1.946 -18.761 1.069 1.00 0.00 H new ATOM 0 HA ASP A 65 0.897 -19.539 3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.528 -19.929 2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.410 -20.145 3.993 1.00 0.00 H new ATOM 1024 N ASN A 66 3.290 -17.297 3.228 1.00 0.00 N ATOM 1025 CA ASN A 66 3.872 -16.074 3.767 1.00 0.00 C ATOM 1026 C ASN A 66 3.868 -14.963 2.722 1.00 0.00 C ATOM 1027 O ASN A 66 4.844 -14.226 2.579 1.00 0.00 O ATOM 1028 CB ASN A 66 5.301 -16.333 4.248 1.00 0.00 C ATOM 1029 CG ASN A 66 5.397 -17.551 5.146 1.00 0.00 C ATOM 1030 OD1 ASN A 66 4.991 -18.650 4.766 1.00 0.00 O ATOM 1031 ND2 ASN A 66 5.935 -17.361 6.345 1.00 0.00 N ATOM 0 H ASN A 66 3.768 -17.664 2.405 1.00 0.00 H new ATOM 0 HA ASN A 66 3.264 -15.754 4.613 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.953 -16.469 3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.664 -15.458 4.787 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.025 -18.143 6.993 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.258 -16.433 6.618 1.00 0.00 H new ATOM 1038 N LYS A 67 2.764 -14.847 1.992 1.00 0.00 N ATOM 1039 CA LYS A 67 2.631 -13.826 0.961 1.00 0.00 C ATOM 1040 C LYS A 67 1.245 -13.190 1.000 1.00 0.00 C ATOM 1041 O LYS A 67 0.327 -13.717 1.628 1.00 0.00 O ATOM 1042 CB LYS A 67 2.886 -14.431 -0.422 1.00 0.00 C ATOM 1043 CG LYS A 67 4.191 -15.203 -0.516 1.00 0.00 C ATOM 1044 CD LYS A 67 4.211 -16.119 -1.728 1.00 0.00 C ATOM 1045 CE LYS A 67 3.601 -17.476 -1.410 1.00 0.00 C ATOM 1046 NZ LYS A 67 4.587 -18.391 -0.772 1.00 0.00 N ATOM 0 H LYS A 67 1.947 -15.449 2.096 1.00 0.00 H new ATOM 0 HA LYS A 67 3.373 -13.052 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.061 -15.096 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.892 -13.632 -1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.025 -14.504 -0.574 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.332 -15.793 0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.661 -15.654 -2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.238 -16.251 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.746 -17.344 -0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.225 -17.929 -2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.133 -19.305 -0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.391 -18.538 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.927 -17.970 0.116 1.00 0.00 H new ATOM 1060 N PHE A 68 1.101 -12.054 0.325 1.00 0.00 N ATOM 1061 CA PHE A 68 -0.174 -11.347 0.283 1.00 0.00 C ATOM 1062 C PHE A 68 -0.435 -10.779 -1.109 1.00 0.00 C ATOM 1063 O PHE A 68 0.487 -10.620 -1.908 1.00 0.00 O ATOM 1064 CB PHE A 68 -0.189 -10.219 1.317 1.00 0.00 C ATOM 1065 CG PHE A 68 0.993 -9.298 1.217 1.00 0.00 C ATOM 1066 CD1 PHE A 68 2.230 -9.681 1.711 1.00 0.00 C ATOM 1067 CD2 PHE A 68 0.868 -8.049 0.631 1.00 0.00 C ATOM 1068 CE1 PHE A 68 3.320 -8.836 1.620 1.00 0.00 C ATOM 1069 CE2 PHE A 68 1.954 -7.200 0.538 1.00 0.00 C ATOM 1070 CZ PHE A 68 3.182 -7.594 1.034 1.00 0.00 C ATOM 0 H PHE A 68 1.851 -11.604 -0.200 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.964 -12.059 0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.103 -9.638 1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.217 -10.653 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.344 -10.651 2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.090 -7.735 0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.279 -9.147 2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.843 -6.229 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.032 -6.932 0.963 1.00 0.00 H new ATOM 1080 N GLU A 69 -1.699 -10.477 -1.391 1.00 0.00 N ATOM 1081 CA GLU A 69 -2.082 -9.929 -2.687 1.00 0.00 C ATOM 1082 C GLU A 69 -2.612 -8.506 -2.540 1.00 0.00 C ATOM 1083 O GLU A 69 -3.640 -8.277 -1.902 1.00 0.00 O ATOM 1084 CB GLU A 69 -3.141 -10.814 -3.347 1.00 0.00 C ATOM 1085 CG GLU A 69 -3.239 -10.626 -4.851 1.00 0.00 C ATOM 1086 CD GLU A 69 -4.490 -11.252 -5.437 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -5.506 -11.333 -4.714 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -4.454 -11.660 -6.616 1.00 0.00 O ATOM 0 H GLU A 69 -2.474 -10.603 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.195 -9.904 -3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.914 -11.859 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.111 -10.601 -2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.228 -9.561 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.361 -11.064 -5.326 1.00 0.00 H new ATOM 1095 N VAL A 70 -1.903 -7.552 -3.136 1.00 0.00 N ATOM 1096 CA VAL A 70 -2.302 -6.151 -3.073 1.00 0.00 C ATOM 1097 C VAL A 70 -3.097 -5.750 -4.311 1.00 0.00 C ATOM 1098 O VAL A 70 -2.534 -5.565 -5.390 1.00 0.00 O ATOM 1099 CB VAL A 70 -1.079 -5.225 -2.939 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.504 -3.766 -2.999 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -0.328 -5.518 -1.649 1.00 0.00 C ATOM 0 H VAL A 70 -1.050 -7.724 -3.668 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.931 -6.040 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.407 -5.417 -3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.626 -3.127 -2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.994 -3.569 -3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.197 -3.555 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.533 -4.855 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.990 -5.356 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.011 -6.554 -1.653 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.409 -5.615 -4.147 1.00 0.00 N ATOM 1112 CA VAL A 71 -5.282 -5.233 -5.251 1.00 0.00 C ATOM 1113 C VAL A 71 -5.106 -3.762 -5.607 1.00 0.00 C ATOM 1114 O VAL A 71 -5.373 -2.877 -4.793 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.761 -5.495 -4.912 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.660 -5.032 -6.049 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -6.986 -6.969 -4.611 1.00 0.00 C ATOM 0 H VAL A 71 -4.891 -5.764 -3.260 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.999 -5.846 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.018 -4.922 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.701 -5.225 -5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.519 -3.964 -6.212 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.405 -5.575 -6.959 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.037 -7.136 -4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.712 -7.564 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.371 -7.265 -3.761 1.00 0.00 H new ATOM 1127 N THR A 72 -4.655 -3.504 -6.831 1.00 0.00 N ATOM 1128 CA THR A 72 -4.442 -2.140 -7.296 1.00 0.00 C ATOM 1129 C THR A 72 -5.125 -1.904 -8.639 1.00 0.00 C ATOM 1130 O THR A 72 -4.950 -2.677 -9.581 1.00 0.00 O ATOM 1131 CB THR A 72 -2.942 -1.820 -7.433 1.00 0.00 C ATOM 1132 OG1 THR A 72 -2.226 -2.993 -7.836 1.00 0.00 O ATOM 1133 CG2 THR A 72 -2.377 -1.302 -6.119 1.00 0.00 C ATOM 0 H THR A 72 -4.430 -4.223 -7.518 1.00 0.00 H new ATOM 0 HA THR A 72 -4.879 -1.480 -6.547 1.00 0.00 H new ATOM 0 HB THR A 72 -2.826 -1.045 -8.191 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.289 -2.762 -8.007 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.316 -1.083 -6.240 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.904 -0.393 -5.829 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.505 -2.058 -5.345 1.00 0.00 H new ATOM 1141 N THR A 73 -5.904 -0.830 -8.721 1.00 0.00 N ATOM 1142 CA THR A 73 -6.613 -0.492 -9.949 1.00 0.00 C ATOM 1143 C THR A 73 -5.784 -0.845 -11.178 1.00 0.00 C ATOM 1144 O THR A 73 -6.235 -1.588 -12.049 1.00 0.00 O ATOM 1145 CB THR A 73 -6.971 1.005 -9.997 1.00 0.00 C ATOM 1146 OG1 THR A 73 -7.538 1.414 -8.747 1.00 0.00 O ATOM 1147 CG2 THR A 73 -7.954 1.291 -11.123 1.00 0.00 C ATOM 0 H THR A 73 -6.060 -0.179 -7.951 1.00 0.00 H new ATOM 0 HA THR A 73 -7.532 -1.078 -9.954 1.00 0.00 H new ATOM 0 HB THR A 73 -6.056 1.568 -10.182 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.761 2.367 -8.785 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.192 2.355 -11.137 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.508 1.006 -12.076 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.867 0.717 -10.964 1.00 0.00 H new ATOM 1155 N GLN A 74 -4.570 -0.308 -11.241 1.00 0.00 N ATOM 1156 CA GLN A 74 -3.677 -0.567 -12.364 1.00 0.00 C ATOM 1157 C GLN A 74 -3.614 -2.058 -12.677 1.00 0.00 C ATOM 1158 O GLN A 74 -4.044 -2.498 -13.744 1.00 0.00 O ATOM 1159 CB GLN A 74 -2.275 -0.038 -12.062 1.00 0.00 C ATOM 1160 CG GLN A 74 -2.167 1.477 -12.137 1.00 0.00 C ATOM 1161 CD GLN A 74 -0.737 1.967 -12.018 1.00 0.00 C ATOM 1162 OE1 GLN A 74 0.081 1.753 -12.913 1.00 0.00 O ATOM 1163 NE2 GLN A 74 -0.428 2.629 -10.909 1.00 0.00 N ATOM 0 H GLN A 74 -4.182 0.309 -10.527 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.073 -0.047 -13.237 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.979 -0.366 -11.066 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.570 -0.480 -12.766 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.587 1.821 -13.082 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.766 1.920 -11.341 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.138 2.784 -10.193 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.519 2.983 -10.773 1.00 0.00 H new ATOM 1172 N ARG A 75 -3.076 -2.832 -11.740 1.00 0.00 N ATOM 1173 CA ARG A 75 -2.956 -4.274 -11.916 1.00 0.00 C ATOM 1174 C ARG A 75 -2.516 -4.946 -10.618 1.00 0.00 C ATOM 1175 O ARG A 75 -1.384 -4.768 -10.167 1.00 0.00 O ATOM 1176 CB ARG A 75 -1.957 -4.592 -13.031 1.00 0.00 C ATOM 1177 CG ARG A 75 -1.626 -6.070 -13.149 1.00 0.00 C ATOM 1178 CD ARG A 75 -0.359 -6.294 -13.960 1.00 0.00 C ATOM 1179 NE ARG A 75 -0.639 -6.416 -15.389 1.00 0.00 N ATOM 1180 CZ ARG A 75 -1.344 -7.409 -15.918 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -1.840 -8.362 -15.140 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -1.556 -7.450 -17.227 1.00 0.00 N ATOM 0 H ARG A 75 -2.716 -2.484 -10.851 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.936 -4.663 -12.193 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.362 -4.242 -13.981 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.037 -4.035 -12.852 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.502 -6.497 -12.154 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.458 -6.594 -13.620 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.329 -5.465 -13.795 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.141 -7.197 -13.610 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.273 -5.699 -16.015 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.680 -8.333 -14.133 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.381 -9.124 -15.549 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.177 -6.718 -17.828 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.098 -8.213 -17.632 1.00 0.00 H new ATOM 1196 N THR A 76 -3.419 -5.718 -10.022 1.00 0.00 N ATOM 1197 CA THR A 76 -3.126 -6.415 -8.776 1.00 0.00 C ATOM 1198 C THR A 76 -1.711 -6.984 -8.784 1.00 0.00 C ATOM 1199 O THR A 76 -1.271 -7.566 -9.776 1.00 0.00 O ATOM 1200 CB THR A 76 -4.126 -7.559 -8.523 1.00 0.00 C ATOM 1201 OG1 THR A 76 -5.466 -7.060 -8.586 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.881 -8.201 -7.166 1.00 0.00 C ATOM 0 H THR A 76 -4.360 -5.876 -10.382 1.00 0.00 H new ATOM 0 HA THR A 76 -3.215 -5.681 -7.975 1.00 0.00 H new ATOM 0 HB THR A 76 -3.984 -8.315 -9.295 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.096 -7.793 -8.426 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.599 -9.006 -7.009 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.869 -8.605 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.999 -7.452 -6.383 1.00 0.00 H new ATOM 1210 N PHE A 77 -1.004 -6.813 -7.672 1.00 0.00 N ATOM 1211 CA PHE A 77 0.362 -7.310 -7.552 1.00 0.00 C ATOM 1212 C PHE A 77 0.465 -8.355 -6.445 1.00 0.00 C ATOM 1213 O PHE A 77 -0.513 -8.642 -5.753 1.00 0.00 O ATOM 1214 CB PHE A 77 1.325 -6.155 -7.269 1.00 0.00 C ATOM 1215 CG PHE A 77 1.236 -5.041 -8.273 1.00 0.00 C ATOM 1216 CD1 PHE A 77 1.577 -5.258 -9.599 1.00 0.00 C ATOM 1217 CD2 PHE A 77 0.811 -3.779 -7.892 1.00 0.00 C ATOM 1218 CE1 PHE A 77 1.498 -4.234 -10.524 1.00 0.00 C ATOM 1219 CE2 PHE A 77 0.729 -2.752 -8.813 1.00 0.00 C ATOM 1220 CZ PHE A 77 1.072 -2.980 -10.131 1.00 0.00 C ATOM 0 H PHE A 77 -1.354 -6.335 -6.842 1.00 0.00 H new ATOM 0 HA PHE A 77 0.636 -7.779 -8.497 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.119 -5.756 -6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.345 -6.539 -7.253 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.908 -6.237 -9.912 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.540 -3.595 -6.863 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.769 -4.414 -11.554 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.397 -1.772 -8.502 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.007 -2.180 -10.853 1.00 0.00 H new ATOM 1230 N VAL A 78 1.656 -8.922 -6.283 1.00 0.00 N ATOM 1231 CA VAL A 78 1.888 -9.935 -5.260 1.00 0.00 C ATOM 1232 C VAL A 78 3.215 -9.702 -4.547 1.00 0.00 C ATOM 1233 O VAL A 78 4.273 -9.669 -5.176 1.00 0.00 O ATOM 1234 CB VAL A 78 1.884 -11.352 -5.863 1.00 0.00 C ATOM 1235 CG1 VAL A 78 2.164 -12.391 -4.787 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.558 -11.633 -6.554 1.00 0.00 C ATOM 0 H VAL A 78 2.475 -8.697 -6.847 1.00 0.00 H new ATOM 0 HA VAL A 78 1.073 -9.851 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 78 2.677 -11.413 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.157 -13.386 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.140 -12.199 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.395 -12.333 -4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.573 -12.639 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.253 -11.554 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.403 -10.908 -7.353 1.00 0.00 H new ATOM 1246 N PHE A 79 3.152 -9.541 -3.229 1.00 0.00 N ATOM 1247 CA PHE A 79 4.350 -9.311 -2.429 1.00 0.00 C ATOM 1248 C PHE A 79 4.560 -10.441 -1.426 1.00 0.00 C ATOM 1249 O PHE A 79 3.601 -10.983 -0.876 1.00 0.00 O ATOM 1250 CB PHE A 79 4.247 -7.973 -1.693 1.00 0.00 C ATOM 1251 CG PHE A 79 4.558 -6.787 -2.559 1.00 0.00 C ATOM 1252 CD1 PHE A 79 5.821 -6.622 -3.104 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.588 -5.835 -2.828 1.00 0.00 C ATOM 1254 CE1 PHE A 79 6.111 -5.531 -3.902 1.00 0.00 C ATOM 1255 CE2 PHE A 79 3.871 -4.742 -3.625 1.00 0.00 C ATOM 1256 CZ PHE A 79 5.135 -4.590 -4.162 1.00 0.00 C ATOM 0 H PHE A 79 2.285 -9.566 -2.693 1.00 0.00 H new ATOM 0 HA PHE A 79 5.207 -9.283 -3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.239 -7.865 -1.291 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.930 -7.981 -0.843 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.589 -7.355 -2.903 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.599 -5.948 -2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.100 -5.415 -4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.105 -4.008 -3.828 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.359 -3.736 -4.784 1.00 0.00 H new ATOM 1266 N ARG A 80 5.821 -10.793 -1.195 1.00 0.00 N ATOM 1267 CA ARG A 80 6.158 -11.860 -0.261 1.00 0.00 C ATOM 1268 C ARG A 80 6.945 -11.314 0.927 1.00 0.00 C ATOM 1269 O ARG A 80 7.679 -10.334 0.800 1.00 0.00 O ATOM 1270 CB ARG A 80 6.968 -12.948 -0.967 1.00 0.00 C ATOM 1271 CG ARG A 80 7.548 -13.986 -0.020 1.00 0.00 C ATOM 1272 CD ARG A 80 8.320 -15.058 -0.774 1.00 0.00 C ATOM 1273 NE ARG A 80 8.515 -16.261 0.030 1.00 0.00 N ATOM 1274 CZ ARG A 80 9.477 -17.148 -0.195 1.00 0.00 C ATOM 1275 NH1 ARG A 80 10.329 -16.968 -1.195 1.00 0.00 N ATOM 1276 NH2 ARG A 80 9.590 -18.218 0.581 1.00 0.00 N ATOM 0 H ARG A 80 6.626 -10.354 -1.642 1.00 0.00 H new ATOM 0 HA ARG A 80 5.228 -12.292 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.330 -13.449 -1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.781 -12.481 -1.523 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.208 -13.498 0.697 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.743 -14.449 0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.784 -15.316 -1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.290 -14.662 -1.075 1.00 0.00 H new ATOM 0 HE ARG A 80 7.877 -16.429 0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.246 -16.146 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.067 -17.651 -1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.937 -18.360 1.352 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.330 -18.899 0.407 1.00 0.00 H new ATOM 1290 N VAL A 81 6.788 -11.955 2.080 1.00 0.00 N ATOM 1291 CA VAL A 81 7.484 -11.535 3.290 1.00 0.00 C ATOM 1292 C VAL A 81 8.525 -12.566 3.711 1.00 0.00 C ATOM 1293 O VAL A 81 8.625 -13.639 3.118 1.00 0.00 O ATOM 1294 CB VAL A 81 6.501 -11.310 4.454 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.669 -10.059 4.216 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.608 -12.527 4.640 1.00 0.00 C ATOM 0 H VAL A 81 6.184 -12.768 2.202 1.00 0.00 H new ATOM 0 HA VAL A 81 7.982 -10.594 3.058 1.00 0.00 H new ATOM 0 HB VAL A 81 7.075 -11.166 5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.980 -9.916 5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.327 -9.194 4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.102 -10.169 3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.920 -12.350 5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.040 -12.705 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.223 -13.399 4.860 1.00 0.00 H new ATOM 1306 N GLU A 82 9.299 -12.232 4.739 1.00 0.00 N ATOM 1307 CA GLU A 82 10.334 -13.130 5.239 1.00 0.00 C ATOM 1308 C GLU A 82 9.880 -13.822 6.521 1.00 0.00 C ATOM 1309 O GLU A 82 10.368 -14.899 6.864 1.00 0.00 O ATOM 1310 CB GLU A 82 11.630 -12.358 5.494 1.00 0.00 C ATOM 1311 CG GLU A 82 12.868 -13.238 5.518 1.00 0.00 C ATOM 1312 CD GLU A 82 14.153 -12.436 5.587 1.00 0.00 C ATOM 1313 OE1 GLU A 82 14.520 -11.999 6.698 1.00 0.00 O ATOM 1314 OE2 GLU A 82 14.792 -12.245 4.531 1.00 0.00 O ATOM 0 H GLU A 82 9.229 -11.347 5.241 1.00 0.00 H new ATOM 0 HA GLU A 82 10.517 -13.891 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.749 -11.599 4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.549 -11.833 6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.816 -13.908 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.882 -13.863 4.625 1.00 0.00 H new ATOM 1321 N LYS A 83 8.944 -13.195 7.226 1.00 0.00 N ATOM 1322 CA LYS A 83 8.423 -13.749 8.470 1.00 0.00 C ATOM 1323 C LYS A 83 6.926 -13.487 8.597 1.00 0.00 C ATOM 1324 O LYS A 83 6.385 -12.596 7.942 1.00 0.00 O ATOM 1325 CB LYS A 83 9.160 -13.148 9.668 1.00 0.00 C ATOM 1326 CG LYS A 83 10.665 -13.353 9.623 1.00 0.00 C ATOM 1327 CD LYS A 83 11.046 -14.771 10.015 1.00 0.00 C ATOM 1328 CE LYS A 83 11.008 -14.961 11.524 1.00 0.00 C ATOM 1329 NZ LYS A 83 11.796 -16.149 11.953 1.00 0.00 N ATOM 0 H LYS A 83 8.531 -12.302 6.957 1.00 0.00 H new ATOM 0 HA LYS A 83 8.586 -14.827 8.455 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.949 -12.080 9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.769 -13.591 10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.032 -13.141 8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.150 -12.646 10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.364 -15.477 9.541 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.046 -14.996 9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.401 -14.069 12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.974 -15.074 11.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.745 -16.244 12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.406 -17.004 11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.788 -16.030 11.665 1.00 0.00 H new ATOM 1343 N GLU A 84 6.262 -14.268 9.444 1.00 0.00 N ATOM 1344 CA GLU A 84 4.828 -14.118 9.656 1.00 0.00 C ATOM 1345 C GLU A 84 4.491 -12.705 10.125 1.00 0.00 C ATOM 1346 O GLU A 84 3.662 -12.023 9.524 1.00 0.00 O ATOM 1347 CB GLU A 84 4.332 -15.139 10.682 1.00 0.00 C ATOM 1348 CG GLU A 84 4.986 -14.998 12.046 1.00 0.00 C ATOM 1349 CD GLU A 84 4.918 -16.275 12.861 1.00 0.00 C ATOM 1350 OE1 GLU A 84 3.866 -16.522 13.488 1.00 0.00 O ATOM 1351 OE2 GLU A 84 5.915 -17.026 12.873 1.00 0.00 O ATOM 0 H GLU A 84 6.695 -15.010 9.994 1.00 0.00 H new ATOM 0 HA GLU A 84 4.326 -14.296 8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.253 -15.035 10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.518 -16.143 10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.029 -14.709 11.916 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.499 -14.194 12.597 1.00 0.00 H new ATOM 1358 N GLU A 85 5.142 -12.275 11.201 1.00 0.00 N ATOM 1359 CA GLU A 85 4.910 -10.944 11.751 1.00 0.00 C ATOM 1360 C GLU A 85 4.808 -9.905 10.638 1.00 0.00 C ATOM 1361 O GLU A 85 3.897 -9.079 10.629 1.00 0.00 O ATOM 1362 CB GLU A 85 6.035 -10.564 12.716 1.00 0.00 C ATOM 1363 CG GLU A 85 6.142 -11.486 13.920 1.00 0.00 C ATOM 1364 CD GLU A 85 7.410 -11.258 14.719 1.00 0.00 C ATOM 1365 OE1 GLU A 85 7.803 -10.084 14.883 1.00 0.00 O ATOM 1366 OE2 GLU A 85 8.009 -12.252 15.180 1.00 0.00 O ATOM 0 H GLU A 85 5.833 -12.827 11.709 1.00 0.00 H new ATOM 0 HA GLU A 85 3.965 -10.963 12.294 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.983 -10.572 12.177 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.875 -9.543 13.064 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.278 -11.335 14.567 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.111 -12.522 13.583 1.00 0.00 H new ATOM 1373 N GLU A 86 5.751 -9.955 9.702 1.00 0.00 N ATOM 1374 CA GLU A 86 5.768 -9.018 8.585 1.00 0.00 C ATOM 1375 C GLU A 86 4.425 -9.010 7.861 1.00 0.00 C ATOM 1376 O GLU A 86 3.911 -7.953 7.494 1.00 0.00 O ATOM 1377 CB GLU A 86 6.886 -9.378 7.605 1.00 0.00 C ATOM 1378 CG GLU A 86 8.279 -9.078 8.133 1.00 0.00 C ATOM 1379 CD GLU A 86 9.282 -8.828 7.024 1.00 0.00 C ATOM 1380 OE1 GLU A 86 9.070 -9.343 5.906 1.00 0.00 O ATOM 1381 OE2 GLU A 86 10.279 -8.117 7.273 1.00 0.00 O ATOM 0 H GLU A 86 6.512 -10.634 9.695 1.00 0.00 H new ATOM 0 HA GLU A 86 5.952 -8.020 8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.819 -10.439 7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.733 -8.830 6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.237 -8.204 8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.620 -9.914 8.744 1.00 0.00 H new ATOM 1388 N ARG A 87 3.862 -10.197 7.658 1.00 0.00 N ATOM 1389 CA ARG A 87 2.580 -10.328 6.976 1.00 0.00 C ATOM 1390 C ARG A 87 1.552 -9.364 7.561 1.00 0.00 C ATOM 1391 O ARG A 87 1.052 -8.479 6.869 1.00 0.00 O ATOM 1392 CB ARG A 87 2.066 -11.765 7.083 1.00 0.00 C ATOM 1393 CG ARG A 87 1.217 -12.197 5.898 1.00 0.00 C ATOM 1394 CD ARG A 87 0.410 -13.446 6.218 1.00 0.00 C ATOM 1395 NE ARG A 87 1.222 -14.657 6.138 1.00 0.00 N ATOM 1396 CZ ARG A 87 1.924 -15.140 7.158 1.00 0.00 C ATOM 1397 NH1 ARG A 87 1.913 -14.517 8.328 1.00 0.00 N ATOM 1398 NH2 ARG A 87 2.638 -16.248 7.007 1.00 0.00 N ATOM 0 H ARG A 87 4.274 -11.081 7.956 1.00 0.00 H new ATOM 0 HA ARG A 87 2.729 -10.080 5.925 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.917 -12.440 7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.479 -11.865 7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.542 -11.388 5.618 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.860 -12.388 5.039 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.012 -13.358 7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.427 -13.524 5.524 1.00 0.00 H new ATOM 0 HE ARG A 87 1.252 -15.160 5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.365 -13.665 8.447 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.453 -14.890 9.109 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.648 -16.729 6.108 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.177 -16.618 7.790 1.00 0.00 H new ATOM 1412 N ASN A 88 1.242 -9.543 8.841 1.00 0.00 N ATOM 1413 CA ASN A 88 0.273 -8.690 9.520 1.00 0.00 C ATOM 1414 C ASN A 88 0.721 -7.232 9.495 1.00 0.00 C ATOM 1415 O ASN A 88 -0.051 -6.340 9.142 1.00 0.00 O ATOM 1416 CB ASN A 88 0.080 -9.151 10.966 1.00 0.00 C ATOM 1417 CG ASN A 88 0.088 -10.662 11.096 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -0.905 -11.328 10.801 1.00 0.00 O ATOM 1419 ND2 ASN A 88 1.213 -11.211 11.541 1.00 0.00 N ATOM 0 H ASN A 88 1.648 -10.271 9.429 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.677 -8.770 8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.871 -8.731 11.587 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.864 -8.761 11.346 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.278 -12.223 11.650 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.011 -10.620 11.774 1.00 0.00 H new ATOM 1426 N ASP A 89 1.973 -6.997 9.872 1.00 0.00 N ATOM 1427 CA ASP A 89 2.525 -5.647 9.892 1.00 0.00 C ATOM 1428 C ASP A 89 2.266 -4.935 8.568 1.00 0.00 C ATOM 1429 O ASP A 89 1.487 -3.984 8.505 1.00 0.00 O ATOM 1430 CB ASP A 89 4.027 -5.691 10.177 1.00 0.00 C ATOM 1431 CG ASP A 89 4.331 -5.903 11.647 1.00 0.00 C ATOM 1432 OD1 ASP A 89 4.014 -5.005 12.453 1.00 0.00 O ATOM 1433 OD2 ASP A 89 4.888 -6.967 11.990 1.00 0.00 O ATOM 0 H ASP A 89 2.625 -7.724 10.168 1.00 0.00 H new ATOM 0 HA ASP A 89 2.029 -5.090 10.687 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.481 -6.494 9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.484 -4.759 9.845 1.00 0.00 H new ATOM 1438 N TRP A 90 2.925 -5.401 7.513 1.00 0.00 N ATOM 1439 CA TRP A 90 2.768 -4.807 6.190 1.00 0.00 C ATOM 1440 C TRP A 90 1.304 -4.483 5.910 1.00 0.00 C ATOM 1441 O TRP A 90 0.950 -3.327 5.675 1.00 0.00 O ATOM 1442 CB TRP A 90 3.308 -5.753 5.117 1.00 0.00 C ATOM 1443 CG TRP A 90 4.797 -5.689 4.963 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.701 -6.642 5.338 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.555 -4.615 4.396 1.00 0.00 C ATOM 1446 NE1 TRP A 90 6.975 -6.225 5.038 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.913 -4.985 4.458 1.00 0.00 C ATOM 1448 CE3 TRP A 90 5.219 -3.378 3.840 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.931 -4.160 3.987 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 6.230 -2.561 3.373 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.573 -2.955 3.447 1.00 0.00 C ATOM 0 H TRP A 90 3.573 -6.188 7.548 1.00 0.00 H new ATOM 0 HA TRP A 90 3.338 -3.878 6.165 1.00 0.00 H new ATOM 0 HB2 TRP A 90 3.019 -6.774 5.365 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.841 -5.512 4.162 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.451 -7.585 5.802 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.829 -6.753 5.218 1.00 0.00 H new ATOM 0 HE3 TRP A 90 4.187 -3.066 3.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.967 -4.461 4.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.981 -1.602 2.943 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.340 -2.295 3.070 1.00 0.00 H new ATOM 1462 N ILE A 91 0.460 -5.508 5.938 1.00 0.00 N ATOM 1463 CA ILE A 91 -0.965 -5.330 5.688 1.00 0.00 C ATOM 1464 C ILE A 91 -1.555 -4.263 6.604 1.00 0.00 C ATOM 1465 O ILE A 91 -1.942 -3.186 6.151 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.740 -6.646 5.886 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.216 -7.721 4.931 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.230 -6.421 5.672 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -1.907 -9.057 5.088 1.00 0.00 C ATOM 0 H ILE A 91 0.738 -6.470 6.131 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.066 -5.011 4.651 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.587 -6.990 6.909 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.340 -7.375 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.147 -7.852 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.764 -7.360 5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.593 -5.684 6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.401 -6.057 4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.485 -9.770 4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.762 -9.425 6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.973 -8.940 4.894 1.00 0.00 H new ATOM 1481 N SER A 92 -1.619 -4.570 7.896 1.00 0.00 N ATOM 1482 CA SER A 92 -2.163 -3.638 8.876 1.00 0.00 C ATOM 1483 C SER A 92 -1.763 -2.204 8.544 1.00 0.00 C ATOM 1484 O SER A 92 -2.597 -1.298 8.552 1.00 0.00 O ATOM 1485 CB SER A 92 -1.678 -4.002 10.281 1.00 0.00 C ATOM 1486 OG SER A 92 -2.222 -3.124 11.252 1.00 0.00 O ATOM 0 H SER A 92 -1.301 -5.456 8.288 1.00 0.00 H new ATOM 0 HA SER A 92 -3.250 -3.710 8.844 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.964 -5.028 10.513 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.589 -3.958 10.316 1.00 0.00 H new ATOM 0 HG SER A 92 -1.898 -3.379 12.141 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.482 -2.006 8.251 1.00 0.00 N ATOM 1493 CA ILE A 93 0.029 -0.683 7.914 1.00 0.00 C ATOM 1494 C ILE A 93 -0.683 -0.114 6.691 1.00 0.00 C ATOM 1495 O ILE A 93 -1.210 0.999 6.728 1.00 0.00 O ATOM 1496 CB ILE A 93 1.544 -0.718 7.642 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.306 -1.070 8.921 1.00 0.00 C ATOM 1498 CG2 ILE A 93 2.014 0.620 7.091 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.785 -1.300 8.700 1.00 0.00 C ATOM 0 H ILE A 93 0.221 -2.745 8.240 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.163 -0.042 8.774 1.00 0.00 H new ATOM 0 HB ILE A 93 1.747 -1.488 6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.176 -0.265 9.645 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.869 -1.967 9.360 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.087 0.580 6.904 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.491 0.834 6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.801 1.407 7.815 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.261 -1.545 9.649 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.925 -2.124 8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.237 -0.396 8.290 1.00 0.00 H new ATOM 1511 N LEU A 94 -0.697 -0.885 5.610 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.347 -0.459 4.375 1.00 0.00 C ATOM 1513 C LEU A 94 -2.798 -0.065 4.631 1.00 0.00 C ATOM 1514 O LEU A 94 -3.207 1.061 4.344 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.285 -1.576 3.332 1.00 0.00 C ATOM 1516 CG LEU A 94 0.114 -2.030 2.916 1.00 0.00 C ATOM 1517 CD1 LEU A 94 0.054 -3.387 2.232 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.761 -0.999 2.004 1.00 0.00 C ATOM 0 H LEU A 94 -0.266 -1.808 5.563 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.815 0.414 3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.824 -2.439 3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.817 -1.243 2.441 1.00 0.00 H new ATOM 0 HG LEU A 94 0.725 -2.125 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.059 -3.694 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.366 -4.122 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.574 -3.319 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.756 -1.340 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.151 -0.870 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.840 -0.047 2.529 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.572 -0.999 5.173 1.00 0.00 N ATOM 1531 CA LEU A 95 -4.978 -0.749 5.470 1.00 0.00 C ATOM 1532 C LEU A 95 -5.143 0.523 6.295 1.00 0.00 C ATOM 1533 O LEU A 95 -5.954 1.388 5.965 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.580 -1.939 6.221 1.00 0.00 C ATOM 1535 CG LEU A 95 -5.437 -3.302 5.543 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -5.849 -4.416 6.493 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -6.266 -3.352 4.268 1.00 0.00 C ATOM 0 H LEU A 95 -3.250 -1.936 5.416 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.506 -0.618 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.115 -1.995 7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.641 -1.744 6.380 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.390 -3.447 5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.741 -5.379 5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.213 -4.393 7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.889 -4.276 6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.153 -4.329 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.316 -3.185 4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.924 -2.578 3.581 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.366 0.632 7.368 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.425 1.800 8.239 1.00 0.00 C ATOM 1551 C ASN A 96 -4.412 3.088 7.423 1.00 0.00 C ATOM 1552 O ASN A 96 -5.134 4.037 7.730 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.249 1.791 9.218 1.00 0.00 C ATOM 1554 CG ASN A 96 -3.534 2.595 10.472 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -4.688 2.756 10.870 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -2.481 3.106 11.100 1.00 0.00 N ATOM 0 H ASN A 96 -3.688 -0.074 7.655 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.358 1.757 8.801 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.018 0.762 9.494 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.365 2.195 8.724 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.611 3.657 11.948 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.542 2.947 10.734 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.586 3.115 6.382 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.481 4.285 5.520 1.00 0.00 C ATOM 1565 C ALA A 97 -4.780 4.524 4.758 1.00 0.00 C ATOM 1566 O ALA A 97 -5.196 5.667 4.562 1.00 0.00 O ATOM 1567 CB ALA A 97 -2.320 4.124 4.549 1.00 0.00 C ATOM 0 H ALA A 97 -2.980 2.339 6.116 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.295 5.154 6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.254 5.006 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.391 4.010 5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.482 3.241 3.931 1.00 0.00 H new ATOM 1573 N LEU A 98 -5.417 3.440 4.329 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.670 3.532 3.588 1.00 0.00 C ATOM 1575 C LEU A 98 -7.774 4.129 4.455 1.00 0.00 C ATOM 1576 O LEU A 98 -8.688 4.784 3.953 1.00 0.00 O ATOM 1577 CB LEU A 98 -7.091 2.150 3.085 1.00 0.00 C ATOM 1578 CG LEU A 98 -6.322 1.612 1.878 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -6.549 0.116 1.725 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -6.734 2.348 0.612 1.00 0.00 C ATOM 0 H LEU A 98 -5.086 2.487 4.482 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.510 4.189 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.985 1.439 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.150 2.186 2.829 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.258 1.783 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.994 -0.250 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.204 -0.398 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.612 -0.078 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.177 1.952 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.802 2.209 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.519 3.411 0.723 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.682 3.899 5.761 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.670 4.416 6.700 1.00 0.00 C ATOM 1594 C LYS A 99 -8.552 5.931 6.836 1.00 0.00 C ATOM 1595 O LYS A 99 -9.515 6.662 6.606 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.497 3.755 8.069 1.00 0.00 C ATOM 1597 CG LYS A 99 -8.687 2.248 8.046 1.00 0.00 C ATOM 1598 CD LYS A 99 -8.168 1.600 9.318 1.00 0.00 C ATOM 1599 CE LYS A 99 -9.193 1.674 10.440 1.00 0.00 C ATOM 1600 NZ LYS A 99 -8.600 1.315 11.757 1.00 0.00 N ATOM 0 H LYS A 99 -6.933 3.358 6.193 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.661 4.180 6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.501 3.981 8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.211 4.192 8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.745 2.016 7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.167 1.828 7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.918 0.558 9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.248 2.095 9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.605 2.682 10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.022 1.002 10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.330 1.378 12.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.230 0.344 11.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.825 1.972 11.980 1.00 0.00 H new ATOM 1614 N SER A 100 -7.364 6.395 7.211 1.00 0.00 N ATOM 1615 CA SER A 100 -7.120 7.823 7.380 1.00 0.00 C ATOM 1616 C SER A 100 -7.338 8.570 6.068 1.00 0.00 C ATOM 1617 O SER A 100 -8.081 9.550 6.016 1.00 0.00 O ATOM 1618 CB SER A 100 -5.696 8.062 7.886 1.00 0.00 C ATOM 1619 OG SER A 100 -5.503 9.420 8.241 1.00 0.00 O ATOM 0 H SER A 100 -6.556 5.803 7.403 1.00 0.00 H new ATOM 0 HA SER A 100 -7.828 8.203 8.116 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.502 7.426 8.750 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.980 7.779 7.114 1.00 0.00 H new ATOM 0 HG SER A 100 -4.586 9.547 8.563 1.00 0.00 H new