USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 666 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 84 GLN : amide:sc= -0.21 X(o=0.8,f=0.65) USER MOD Set 1.2: A 88 THR OG1 : rot 78:sc= 1.01 USER MOD Set 2.1: A 20 ASN : amide:sc= 1.03 K(o=1.4,f=-7.7!) USER MOD Set 2.2: A 22 ASN : amide:sc= 0.325 K(o=1.4,f=0.74) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.0898 X(o=-0.09,f=0) USER MOD Single : A 25 MET CE :methyl 140:sc= -0.174 (180deg=-0.855) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -70:sc= 1.26 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 85:sc= 1.23 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0.318 K(o=0.32,f=-6.8!) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1.11) USER MOD Single : A 59 ASN : amide:sc= 0.776 K(o=0.78,f=-0.0059) USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= 1.3 (180deg=0.422) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.0919 USER MOD Single : A 65 MET CE :methyl 166:sc= -0.551 (180deg=-1.02) USER MOD Single : A 71 GLN : amide:sc= -0.793 K(o=-0.79,f=-2.1!) USER MOD Single : A 73 TYR OH : rot 13:sc= -0.787 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -111:sc= -0.21 (180deg=-1.86!) USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000689) USER MOD Single : A 81 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.3!) USER MOD Single : A 83 ASN : amide:sc= -2.55 K(o=-2.6,f=-5.4!) USER MOD Single : A 89 THR OG1 : rot 83:sc= 1.72 USER MOD ----------------------------------------------------------------- ATOM 84 N ASP A 6 -8.381 9.691 6.408 1.00 0.00 N ATOM 85 CA ASP A 6 -9.058 8.485 5.973 1.00 0.00 C ATOM 86 C ASP A 6 -9.181 7.408 7.064 1.00 0.00 C ATOM 87 O ASP A 6 -8.201 7.097 7.760 1.00 0.00 O ATOM 88 CB ASP A 6 -8.343 7.900 4.779 1.00 0.00 C ATOM 89 CG ASP A 6 -9.138 6.810 4.164 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.126 7.133 3.481 1.00 0.00 O ATOM 91 OD2 ASP A 6 -8.818 5.646 4.357 1.00 0.00 O ATOM 0 HA ASP A 6 -10.073 8.787 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.160 8.682 4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.370 7.517 5.086 1.00 0.00 H new ATOM 96 N PRO A 7 -10.398 6.829 7.235 1.00 0.00 N ATOM 97 CA PRO A 7 -10.644 5.753 8.206 1.00 0.00 C ATOM 98 C PRO A 7 -9.998 4.411 7.810 1.00 0.00 C ATOM 99 O PRO A 7 -9.591 3.633 8.673 1.00 0.00 O ATOM 100 CB PRO A 7 -12.172 5.597 8.214 1.00 0.00 C ATOM 101 CG PRO A 7 -12.702 6.786 7.500 1.00 0.00 C ATOM 102 CD PRO A 7 -11.643 7.203 6.536 1.00 0.00 C ATOM 0 HA PRO A 7 -10.211 6.008 9.173 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.474 4.675 7.717 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.555 5.550 9.233 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.629 6.545 6.979 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.929 7.590 8.200 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.741 6.688 5.580 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.684 8.272 6.328 1.00 0.00 H new ATOM 110 N GLU A 8 -9.886 4.146 6.527 1.00 0.00 N ATOM 111 CA GLU A 8 -9.337 2.878 6.074 1.00 0.00 C ATOM 112 C GLU A 8 -7.831 2.894 6.266 1.00 0.00 C ATOM 113 O GLU A 8 -7.218 1.902 6.675 1.00 0.00 O ATOM 114 CB GLU A 8 -9.708 2.610 4.610 1.00 0.00 C ATOM 115 CG GLU A 8 -11.212 2.622 4.338 1.00 0.00 C ATOM 116 CD GLU A 8 -11.972 1.576 5.128 1.00 0.00 C ATOM 117 OE1 GLU A 8 -12.268 1.801 6.315 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.330 0.519 4.556 1.00 0.00 O ATOM 0 H GLU A 8 -10.164 4.783 5.781 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.763 2.068 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.229 3.361 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.303 1.642 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.610 3.608 4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.383 2.459 3.274 1.00 0.00 H new ATOM 125 N PHE A 9 -7.249 4.042 6.008 1.00 0.00 N ATOM 126 CA PHE A 9 -5.831 4.253 6.198 1.00 0.00 C ATOM 127 C PHE A 9 -5.456 4.120 7.683 1.00 0.00 C ATOM 128 O PHE A 9 -4.411 3.559 8.023 1.00 0.00 O ATOM 129 CB PHE A 9 -5.421 5.623 5.650 1.00 0.00 C ATOM 130 CG PHE A 9 -3.941 5.871 5.656 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.142 5.368 4.648 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.350 6.606 6.667 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.784 5.596 4.645 1.00 0.00 C ATOM 134 CE2 PHE A 9 -1.995 6.834 6.667 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.212 6.331 5.655 1.00 0.00 C ATOM 0 H PHE A 9 -7.747 4.860 5.659 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.288 3.486 5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.790 5.718 4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.910 6.399 6.239 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.588 4.789 3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.959 7.005 7.465 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.170 5.198 3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.545 7.409 7.463 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.148 6.514 5.654 1.00 0.00 H new ATOM 145 N VAL A 10 -6.317 4.610 8.565 1.00 0.00 N ATOM 146 CA VAL A 10 -6.071 4.502 9.996 1.00 0.00 C ATOM 147 C VAL A 10 -6.143 3.026 10.442 1.00 0.00 C ATOM 148 O VAL A 10 -5.437 2.608 11.363 1.00 0.00 O ATOM 149 CB VAL A 10 -6.937 5.459 10.895 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.364 4.987 11.091 1.00 0.00 C ATOM 151 CG2 VAL A 10 -6.249 5.725 12.227 1.00 0.00 C ATOM 0 H VAL A 10 -7.186 5.083 8.317 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.056 4.864 10.158 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.014 6.399 10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.899 5.697 11.721 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.860 4.916 10.123 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.361 4.008 11.570 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.868 6.389 12.830 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.105 4.783 12.757 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.281 6.193 12.049 1.00 0.00 H new ATOM 161 N LYS A 11 -7.017 2.242 9.792 1.00 0.00 N ATOM 162 CA LYS A 11 -7.065 0.797 10.014 1.00 0.00 C ATOM 163 C LYS A 11 -5.707 0.178 9.700 1.00 0.00 C ATOM 164 O LYS A 11 -5.204 -0.644 10.457 1.00 0.00 O ATOM 165 CB LYS A 11 -8.138 0.154 9.147 1.00 0.00 C ATOM 166 CG LYS A 11 -9.542 0.528 9.541 1.00 0.00 C ATOM 167 CD LYS A 11 -9.930 -0.105 10.862 1.00 0.00 C ATOM 168 CE LYS A 11 -11.348 0.243 11.246 1.00 0.00 C ATOM 169 NZ LYS A 11 -11.744 -0.413 12.503 1.00 0.00 N ATOM 0 H LYS A 11 -7.695 2.587 9.112 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.311 0.617 11.060 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.973 0.441 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.033 -0.930 9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.624 1.612 9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.237 0.209 8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.826 -1.188 10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.247 0.231 11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.442 1.324 11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.026 -0.058 10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.723 -0.152 12.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.677 -1.445 12.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.111 -0.106 13.269 1.00 0.00 H new ATOM 183 N LEU A 12 -5.109 0.622 8.599 1.00 0.00 N ATOM 184 CA LEU A 12 -3.776 0.174 8.186 1.00 0.00 C ATOM 185 C LEU A 12 -2.730 0.519 9.243 1.00 0.00 C ATOM 186 O LEU A 12 -1.831 -0.267 9.504 1.00 0.00 O ATOM 187 CB LEU A 12 -3.378 0.804 6.847 1.00 0.00 C ATOM 188 CG LEU A 12 -4.226 0.436 5.637 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.797 1.252 4.442 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.081 -1.038 5.323 1.00 0.00 C ATOM 0 H LEU A 12 -5.531 1.302 7.966 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.817 -0.909 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.401 1.888 6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.345 0.528 6.635 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.270 0.649 5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.408 0.984 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.924 2.312 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.749 1.050 4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.693 -1.287 4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.037 -1.263 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.409 -1.627 6.180 1.00 0.00 H new ATOM 202 N ARG A 13 -2.871 1.696 9.859 1.00 0.00 N ATOM 203 CA ARG A 13 -1.943 2.154 10.911 1.00 0.00 C ATOM 204 C ARG A 13 -1.964 1.165 12.074 1.00 0.00 C ATOM 205 O ARG A 13 -0.918 0.786 12.609 1.00 0.00 O ATOM 206 CB ARG A 13 -2.345 3.553 11.423 1.00 0.00 C ATOM 207 CG ARG A 13 -2.551 4.599 10.328 1.00 0.00 C ATOM 208 CD ARG A 13 -1.285 4.958 9.583 1.00 0.00 C ATOM 209 NE ARG A 13 -0.353 5.736 10.386 1.00 0.00 N ATOM 210 CZ ARG A 13 0.723 6.359 9.905 1.00 0.00 C ATOM 211 NH1 ARG A 13 1.113 6.165 8.643 1.00 0.00 N ATOM 212 NH2 ARG A 13 1.426 7.146 10.699 1.00 0.00 N ATOM 0 H ARG A 13 -3.621 2.356 9.650 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.940 2.211 10.488 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.266 3.463 11.999 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.575 3.910 12.107 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.287 4.226 9.616 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.968 5.502 10.774 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.794 4.043 9.251 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.545 5.524 8.688 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.536 5.810 11.387 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.586 5.535 8.037 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.938 6.646 8.284 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.144 7.273 11.671 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.251 7.627 10.340 1.00 0.00 H new ATOM 226 N GLN A 14 -3.162 0.721 12.417 1.00 0.00 N ATOM 227 CA GLN A 14 -3.378 -0.234 13.497 1.00 0.00 C ATOM 228 C GLN A 14 -2.916 -1.636 13.091 1.00 0.00 C ATOM 229 O GLN A 14 -2.376 -2.384 13.912 1.00 0.00 O ATOM 230 CB GLN A 14 -4.854 -0.252 13.889 1.00 0.00 C ATOM 231 CG GLN A 14 -5.366 1.078 14.423 1.00 0.00 C ATOM 232 CD GLN A 14 -6.858 1.071 14.651 1.00 0.00 C ATOM 233 OE1 GLN A 14 -7.342 0.718 15.729 1.00 0.00 O ATOM 234 NE2 GLN A 14 -7.602 1.472 13.651 1.00 0.00 N ATOM 0 H GLN A 14 -4.021 1.014 11.951 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.785 0.079 14.357 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.447 -0.536 13.020 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.009 -1.021 14.646 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.859 1.309 15.360 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.113 1.871 13.719 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.167 1.757 12.774 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.617 1.500 13.749 1.00 0.00 H new ATOM 314 N VAL A 19 2.949 -8.297 6.750 1.00 0.00 N ATOM 315 CA VAL A 19 3.407 -8.584 5.404 1.00 0.00 C ATOM 316 C VAL A 19 4.904 -8.335 5.301 1.00 0.00 C ATOM 317 O VAL A 19 5.501 -7.723 6.200 1.00 0.00 O ATOM 318 CB VAL A 19 2.703 -7.642 4.380 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.248 -7.998 4.212 1.00 0.00 C ATOM 320 CG2 VAL A 19 2.817 -6.190 4.836 1.00 0.00 C ATOM 0 HA VAL A 19 3.173 -9.626 5.184 1.00 0.00 H new ATOM 0 HB VAL A 19 3.203 -7.768 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.789 -7.321 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.164 -9.023 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.738 -7.907 5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.322 -5.542 4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.342 -6.076 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.869 -5.914 4.911 1.00 0.00 H new ATOM 330 N ASN A 20 5.500 -8.785 4.213 1.00 0.00 N ATOM 331 CA ASN A 20 6.908 -8.515 3.947 1.00 0.00 C ATOM 332 C ASN A 20 7.017 -7.077 3.503 1.00 0.00 C ATOM 333 O ASN A 20 6.400 -6.686 2.499 1.00 0.00 O ATOM 334 CB ASN A 20 7.430 -9.388 2.799 1.00 0.00 C ATOM 335 CG ASN A 20 8.948 -9.307 2.569 1.00 0.00 C ATOM 336 OD1 ASN A 20 9.609 -8.305 2.883 1.00 0.00 O ATOM 337 ND2 ASN A 20 9.490 -10.323 1.965 1.00 0.00 N ATOM 0 H ASN A 20 5.034 -9.340 3.496 1.00 0.00 H new ATOM 0 HA ASN A 20 7.487 -8.723 4.847 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.161 -10.425 2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.921 -9.098 1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.484 -10.310 1.737 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.921 -11.133 1.719 1.00 0.00 H new ATOM 344 N PHE A 21 7.794 -6.301 4.223 1.00 0.00 N ATOM 345 CA PHE A 21 8.038 -4.899 3.894 1.00 0.00 C ATOM 346 C PHE A 21 8.535 -4.742 2.462 1.00 0.00 C ATOM 347 O PHE A 21 8.098 -3.851 1.724 1.00 0.00 O ATOM 348 CB PHE A 21 9.080 -4.299 4.861 1.00 0.00 C ATOM 349 CG PHE A 21 9.608 -2.951 4.418 1.00 0.00 C ATOM 350 CD1 PHE A 21 8.837 -1.812 4.539 1.00 0.00 C ATOM 351 CD2 PHE A 21 10.875 -2.842 3.852 1.00 0.00 C ATOM 352 CE1 PHE A 21 9.310 -0.592 4.104 1.00 0.00 C ATOM 353 CE2 PHE A 21 11.354 -1.627 3.421 1.00 0.00 C ATOM 354 CZ PHE A 21 10.571 -0.501 3.544 1.00 0.00 C ATOM 0 H PHE A 21 8.282 -6.619 5.061 1.00 0.00 H new ATOM 0 HA PHE A 21 7.091 -4.368 3.994 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.631 -4.198 5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.915 -4.993 4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.853 -1.877 4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.490 -3.724 3.750 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.696 0.291 4.201 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.341 -1.556 2.988 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.942 0.454 3.203 1.00 0.00 H new ATOM 364 N ASN A 22 9.374 -5.658 2.057 1.00 0.00 N ATOM 365 CA ASN A 22 10.066 -5.550 0.785 1.00 0.00 C ATOM 366 C ASN A 22 9.134 -5.856 -0.330 1.00 0.00 C ATOM 367 O ASN A 22 9.199 -5.249 -1.396 1.00 0.00 O ATOM 368 CB ASN A 22 11.283 -6.485 0.711 1.00 0.00 C ATOM 369 CG ASN A 22 12.347 -6.171 1.741 1.00 0.00 C ATOM 370 OD1 ASN A 22 13.240 -5.357 1.502 1.00 0.00 O ATOM 371 ND2 ASN A 22 12.288 -6.833 2.880 1.00 0.00 N ATOM 0 H ASN A 22 9.601 -6.498 2.590 1.00 0.00 H new ATOM 0 HA ASN A 22 10.426 -4.525 0.696 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.950 -7.514 0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.722 -6.420 -0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.997 -6.678 3.597 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.534 -7.500 3.044 1.00 0.00 H new ATOM 378 N LEU A 23 8.214 -6.748 -0.066 1.00 0.00 N ATOM 379 CA LEU A 23 7.307 -7.166 -1.074 1.00 0.00 C ATOM 380 C LEU A 23 6.246 -6.110 -1.295 1.00 0.00 C ATOM 381 O LEU A 23 5.866 -5.864 -2.417 1.00 0.00 O ATOM 382 CB LEU A 23 6.712 -8.534 -0.756 1.00 0.00 C ATOM 383 CG LEU A 23 5.871 -9.178 -1.858 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.665 -9.277 -3.152 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.437 -10.557 -1.425 1.00 0.00 C ATOM 0 H LEU A 23 8.083 -7.192 0.843 1.00 0.00 H new ATOM 0 HA LEU A 23 7.854 -7.282 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.528 -9.213 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.093 -8.439 0.136 1.00 0.00 H new ATOM 0 HG LEU A 23 4.994 -8.555 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.048 -9.738 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.962 -8.279 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.555 -9.885 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.838 -11.014 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.316 -11.172 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.843 -10.482 -0.514 1.00 0.00 H new ATOM 397 N VAL A 24 5.810 -5.441 -0.219 1.00 0.00 N ATOM 398 CA VAL A 24 4.834 -4.348 -0.351 1.00 0.00 C ATOM 399 C VAL A 24 5.464 -3.219 -1.126 1.00 0.00 C ATOM 400 O VAL A 24 4.844 -2.645 -2.020 1.00 0.00 O ATOM 401 CB VAL A 24 4.360 -3.799 1.014 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.319 -2.693 0.836 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.805 -4.899 1.864 1.00 0.00 C ATOM 0 H VAL A 24 6.110 -5.632 0.737 1.00 0.00 H new ATOM 0 HA VAL A 24 3.964 -4.754 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 24 5.228 -3.372 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.006 -2.328 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.754 -1.873 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.455 -3.089 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.477 -4.490 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.957 -5.359 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.576 -5.650 2.036 1.00 0.00 H new ATOM 413 N MET A 25 6.718 -2.937 -0.800 1.00 0.00 N ATOM 414 CA MET A 25 7.486 -1.913 -1.477 1.00 0.00 C ATOM 415 C MET A 25 7.561 -2.238 -2.958 1.00 0.00 C ATOM 416 O MET A 25 7.382 -1.364 -3.795 1.00 0.00 O ATOM 417 CB MET A 25 8.884 -1.801 -0.855 1.00 0.00 C ATOM 418 CG MET A 25 9.766 -0.705 -1.443 1.00 0.00 C ATOM 419 SD MET A 25 11.366 -0.574 -0.599 1.00 0.00 S ATOM 420 CE MET A 25 12.051 -2.208 -0.917 1.00 0.00 C ATOM 0 H MET A 25 7.228 -3.415 -0.057 1.00 0.00 H new ATOM 0 HA MET A 25 6.996 -0.946 -1.360 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.776 -1.624 0.215 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.394 -2.757 -0.970 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.932 -0.906 -2.501 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.245 0.250 -1.378 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.115 -2.120 -1.139 1.00 0.00 H new ATOM 0 HE2 MET A 25 11.915 -2.837 -0.037 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.539 -2.658 -1.768 1.00 0.00 H new ATOM 430 N GLN A 26 7.758 -3.511 -3.260 1.00 0.00 N ATOM 431 CA GLN A 26 7.797 -3.979 -4.626 1.00 0.00 C ATOM 432 C GLN A 26 6.409 -3.892 -5.292 1.00 0.00 C ATOM 433 O GLN A 26 6.315 -3.526 -6.447 1.00 0.00 O ATOM 434 CB GLN A 26 8.356 -5.401 -4.712 1.00 0.00 C ATOM 435 CG GLN A 26 8.433 -5.917 -6.132 1.00 0.00 C ATOM 436 CD GLN A 26 9.046 -7.282 -6.260 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.953 -8.127 -5.360 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.679 -7.514 -7.374 1.00 0.00 N ATOM 0 H GLN A 26 7.895 -4.243 -2.563 1.00 0.00 H new ATOM 0 HA GLN A 26 8.471 -3.321 -5.175 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.351 -5.422 -4.268 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.729 -6.069 -4.121 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.428 -5.942 -6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.012 -5.214 -6.731 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.732 -6.790 -8.091 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.122 -8.420 -7.530 1.00 0.00 H new ATOM 447 N ILE A 27 5.346 -4.225 -4.552 1.00 0.00 N ATOM 448 CA ILE A 27 3.960 -4.116 -5.055 1.00 0.00 C ATOM 449 C ILE A 27 3.690 -2.677 -5.494 1.00 0.00 C ATOM 450 O ILE A 27 3.268 -2.421 -6.629 1.00 0.00 O ATOM 451 CB ILE A 27 2.898 -4.504 -3.957 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.048 -5.966 -3.495 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.466 -4.237 -4.434 1.00 0.00 C ATOM 454 CD1 ILE A 27 2.848 -7.000 -4.577 1.00 0.00 C ATOM 0 H ILE A 27 5.413 -4.575 -3.596 1.00 0.00 H new ATOM 0 HA ILE A 27 3.863 -4.809 -5.891 1.00 0.00 H new ATOM 0 HB ILE A 27 3.096 -3.863 -3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.042 -6.096 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.331 -6.154 -2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.763 -4.517 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.350 -3.178 -4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.265 -4.826 -5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.974 -7.997 -4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.844 -6.905 -4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.582 -6.846 -5.368 1.00 0.00 H new ATOM 466 N LEU A 28 3.995 -1.755 -4.597 1.00 0.00 N ATOM 467 CA LEU A 28 3.795 -0.334 -4.813 1.00 0.00 C ATOM 468 C LEU A 28 4.653 0.159 -5.972 1.00 0.00 C ATOM 469 O LEU A 28 4.233 0.980 -6.757 1.00 0.00 O ATOM 470 CB LEU A 28 4.152 0.425 -3.541 1.00 0.00 C ATOM 471 CG LEU A 28 3.356 0.056 -2.284 1.00 0.00 C ATOM 472 CD1 LEU A 28 3.906 0.790 -1.091 1.00 0.00 C ATOM 473 CD2 LEU A 28 1.878 0.367 -2.454 1.00 0.00 C ATOM 0 H LEU A 28 4.394 -1.977 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 28 2.749 -0.158 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.211 0.267 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.019 1.490 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 28 3.457 -1.017 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.334 0.521 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.951 0.517 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.832 1.864 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.342 0.094 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.750 1.433 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.481 -0.202 -3.295 1.00 0.00 H new ATOM 485 N ASP A 29 5.846 -0.375 -6.057 1.00 0.00 N ATOM 486 CA ASP A 29 6.819 -0.049 -7.109 1.00 0.00 C ATOM 487 C ASP A 29 6.319 -0.525 -8.459 1.00 0.00 C ATOM 488 O ASP A 29 6.289 0.225 -9.434 1.00 0.00 O ATOM 489 CB ASP A 29 8.116 -0.784 -6.790 1.00 0.00 C ATOM 490 CG ASP A 29 9.249 -0.475 -7.726 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.911 0.563 -7.532 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.545 -1.297 -8.630 1.00 0.00 O ATOM 0 H ASP A 29 6.190 -1.065 -5.389 1.00 0.00 H new ATOM 0 HA ASP A 29 6.969 1.030 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.421 -0.534 -5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.926 -1.857 -6.810 1.00 0.00 H new ATOM 497 N GLU A 30 5.899 -1.760 -8.477 1.00 0.00 N ATOM 498 CA GLU A 30 5.467 -2.446 -9.677 1.00 0.00 C ATOM 499 C GLU A 30 4.210 -1.790 -10.269 1.00 0.00 C ATOM 500 O GLU A 30 4.110 -1.618 -11.485 1.00 0.00 O ATOM 501 CB GLU A 30 5.241 -3.919 -9.345 1.00 0.00 C ATOM 502 CG GLU A 30 5.349 -4.874 -10.516 1.00 0.00 C ATOM 503 CD GLU A 30 5.325 -6.312 -10.057 1.00 0.00 C ATOM 504 OE1 GLU A 30 6.275 -6.730 -9.342 1.00 0.00 O ATOM 505 OE2 GLU A 30 4.402 -7.067 -10.417 1.00 0.00 O ATOM 0 H GLU A 30 5.844 -2.338 -7.638 1.00 0.00 H new ATOM 0 HA GLU A 30 6.240 -2.372 -10.442 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.965 -4.218 -8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.251 -4.026 -8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.526 -4.698 -11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.272 -4.680 -11.062 1.00 0.00 H new ATOM 512 N ILE A 31 3.263 -1.396 -9.414 1.00 0.00 N ATOM 513 CA ILE A 31 2.074 -0.693 -9.906 1.00 0.00 C ATOM 514 C ILE A 31 2.456 0.734 -10.315 1.00 0.00 C ATOM 515 O ILE A 31 1.944 1.254 -11.290 1.00 0.00 O ATOM 516 CB ILE A 31 0.896 -0.636 -8.869 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.284 0.155 -7.611 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.432 -2.035 -8.500 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.172 0.321 -6.608 1.00 0.00 C ATOM 0 H ILE A 31 3.292 -1.546 -8.405 1.00 0.00 H new ATOM 0 HA ILE A 31 1.711 -1.265 -10.760 1.00 0.00 H new ATOM 0 HB ILE A 31 0.068 -0.111 -9.346 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.121 -0.347 -7.126 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.635 1.142 -7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.384 -1.970 -7.781 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.086 -2.552 -9.395 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.261 -2.589 -8.059 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.535 0.891 -5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.660 0.852 -7.071 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.165 -0.660 -6.273 1.00 0.00 H new ATOM 531 N GLU A 32 3.402 1.333 -9.574 1.00 0.00 N ATOM 532 CA GLU A 32 3.862 2.694 -9.822 1.00 0.00 C ATOM 533 C GLU A 32 4.467 2.804 -11.210 1.00 0.00 C ATOM 534 O GLU A 32 4.026 3.619 -12.021 1.00 0.00 O ATOM 535 CB GLU A 32 4.895 3.118 -8.755 1.00 0.00 C ATOM 536 CG GLU A 32 5.432 4.529 -8.907 1.00 0.00 C ATOM 537 CD GLU A 32 6.441 4.899 -7.844 1.00 0.00 C ATOM 538 OE1 GLU A 32 6.053 5.135 -6.674 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.638 4.977 -8.158 1.00 0.00 O ATOM 0 H GLU A 32 3.865 0.880 -8.786 1.00 0.00 H new ATOM 0 HA GLU A 32 3.004 3.363 -9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.437 3.024 -7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.733 2.421 -8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.894 4.631 -9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.601 5.233 -8.871 1.00 0.00 H new ATOM 546 N LEU A 33 5.438 1.952 -11.493 1.00 0.00 N ATOM 547 CA LEU A 33 6.132 1.976 -12.768 1.00 0.00 C ATOM 548 C LEU A 33 5.190 1.692 -13.935 1.00 0.00 C ATOM 549 O LEU A 33 5.329 2.288 -15.009 1.00 0.00 O ATOM 550 CB LEU A 33 7.371 1.033 -12.754 1.00 0.00 C ATOM 551 CG LEU A 33 7.156 -0.491 -12.550 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.705 -1.203 -13.825 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.409 -1.128 -12.016 1.00 0.00 C ATOM 0 H LEU A 33 5.765 1.230 -10.851 1.00 0.00 H new ATOM 0 HA LEU A 33 6.507 2.988 -12.922 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.897 1.167 -13.699 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.039 1.379 -11.965 1.00 0.00 H new ATOM 0 HG LEU A 33 6.351 -0.601 -11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.571 -2.265 -13.621 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.761 -0.777 -14.165 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.461 -1.075 -14.600 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.244 -2.196 -11.878 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.224 -0.975 -12.723 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.669 -0.674 -11.059 1.00 0.00 H new ATOM 565 N ASP A 34 4.208 0.828 -13.704 1.00 0.00 N ATOM 566 CA ASP A 34 3.273 0.454 -14.750 1.00 0.00 C ATOM 567 C ASP A 34 2.275 1.560 -15.002 1.00 0.00 C ATOM 568 O ASP A 34 2.081 1.968 -16.144 1.00 0.00 O ATOM 569 CB ASP A 34 2.543 -0.853 -14.434 1.00 0.00 C ATOM 570 CG ASP A 34 1.634 -1.279 -15.572 1.00 0.00 C ATOM 571 OD1 ASP A 34 2.134 -1.887 -16.552 1.00 0.00 O ATOM 572 OD2 ASP A 34 0.427 -1.002 -15.533 1.00 0.00 O ATOM 0 H ASP A 34 4.042 0.377 -12.804 1.00 0.00 H new ATOM 0 HA ASP A 34 3.860 0.293 -15.654 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.273 -1.639 -14.238 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.954 -0.730 -13.525 1.00 0.00 H new ATOM 577 N LEU A 35 1.687 2.075 -13.926 1.00 0.00 N ATOM 578 CA LEU A 35 0.682 3.141 -13.981 1.00 0.00 C ATOM 579 C LEU A 35 1.190 4.368 -14.716 1.00 0.00 C ATOM 580 O LEU A 35 0.442 5.013 -15.444 1.00 0.00 O ATOM 581 CB LEU A 35 0.228 3.528 -12.570 1.00 0.00 C ATOM 582 CG LEU A 35 -0.716 4.732 -12.455 1.00 0.00 C ATOM 583 CD1 LEU A 35 -2.015 4.505 -13.218 1.00 0.00 C ATOM 584 CD2 LEU A 35 -0.990 5.037 -11.001 1.00 0.00 C ATOM 0 H LEU A 35 1.895 1.762 -12.978 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.169 2.749 -14.538 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.265 2.665 -12.123 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.116 3.733 -11.971 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.224 5.592 -12.909 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.657 5.380 -13.112 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.794 4.343 -14.273 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.525 3.630 -12.815 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.661 5.893 -10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.454 4.171 -10.529 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.053 5.267 -10.495 1.00 0.00 H new ATOM 664 N ILE A 41 -5.068 2.543 -13.011 1.00 0.00 N ATOM 665 CA ILE A 41 -4.298 1.978 -11.908 1.00 0.00 C ATOM 666 C ILE A 41 -4.891 0.655 -11.441 1.00 0.00 C ATOM 667 O ILE A 41 -4.158 -0.233 -11.031 1.00 0.00 O ATOM 668 CB ILE A 41 -4.127 2.965 -10.704 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.300 2.320 -9.557 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.469 3.455 -10.207 1.00 0.00 C ATOM 671 CD1 ILE A 41 -3.090 3.208 -8.344 1.00 0.00 C ATOM 0 HA ILE A 41 -3.299 1.794 -12.303 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.570 3.831 -11.062 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.800 1.406 -9.238 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.326 2.030 -9.950 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.320 4.138 -9.371 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.988 3.975 -11.013 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.068 2.605 -9.879 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.503 2.672 -7.598 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.559 4.112 -8.642 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.057 3.478 -7.919 1.00 0.00 H new ATOM 683 N LYS A 42 -6.220 0.502 -11.541 1.00 0.00 N ATOM 684 CA LYS A 42 -6.841 -0.763 -11.149 1.00 0.00 C ATOM 685 C LYS A 42 -6.346 -1.901 -12.025 1.00 0.00 C ATOM 686 O LYS A 42 -6.182 -3.023 -11.566 1.00 0.00 O ATOM 687 CB LYS A 42 -8.372 -0.713 -11.138 1.00 0.00 C ATOM 688 CG LYS A 42 -9.032 -0.366 -12.453 1.00 0.00 C ATOM 689 CD LYS A 42 -10.521 -0.627 -12.371 1.00 0.00 C ATOM 690 CE LYS A 42 -11.223 -0.267 -13.657 1.00 0.00 C ATOM 691 NZ LYS A 42 -11.377 1.195 -13.835 1.00 0.00 N ATOM 0 H LYS A 42 -6.865 1.216 -11.879 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.535 -0.945 -10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.745 -1.684 -10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.687 0.017 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.851 0.681 -12.695 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.594 -0.959 -13.256 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.694 -1.679 -12.144 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.947 -0.050 -11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.662 -0.674 -14.498 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.207 -0.736 -13.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.865 1.386 -14.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.935 1.584 -13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.439 1.644 -13.848 1.00 0.00 H new ATOM 705 N THR A 43 -6.069 -1.578 -13.266 1.00 0.00 N ATOM 706 CA THR A 43 -5.548 -2.514 -14.211 1.00 0.00 C ATOM 707 C THR A 43 -4.105 -2.887 -13.817 1.00 0.00 C ATOM 708 O THR A 43 -3.735 -4.072 -13.813 1.00 0.00 O ATOM 709 CB THR A 43 -5.593 -1.887 -15.611 1.00 0.00 C ATOM 710 OG1 THR A 43 -6.901 -1.311 -15.807 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.358 -2.932 -16.673 1.00 0.00 C ATOM 0 H THR A 43 -6.204 -0.641 -13.645 1.00 0.00 H new ATOM 0 HA THR A 43 -6.148 -3.424 -14.216 1.00 0.00 H new ATOM 0 HB THR A 43 -4.814 -1.129 -15.689 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.949 -0.903 -16.697 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.394 -2.465 -17.657 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.380 -3.389 -16.524 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.130 -3.698 -16.606 1.00 0.00 H new ATOM 719 N SER A 44 -3.316 -1.874 -13.436 1.00 0.00 N ATOM 720 CA SER A 44 -1.960 -2.076 -12.963 1.00 0.00 C ATOM 721 C SER A 44 -1.956 -2.966 -11.702 1.00 0.00 C ATOM 722 O SER A 44 -1.087 -3.836 -11.538 1.00 0.00 O ATOM 723 CB SER A 44 -1.308 -0.721 -12.686 1.00 0.00 C ATOM 724 OG SER A 44 -1.367 0.106 -13.845 1.00 0.00 O ATOM 0 H SER A 44 -3.608 -0.897 -13.451 1.00 0.00 H new ATOM 0 HA SER A 44 -1.382 -2.589 -13.731 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.814 -0.230 -11.855 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.270 -0.864 -12.387 1.00 0.00 H new ATOM 0 HG SER A 44 -0.761 -0.247 -14.530 1.00 0.00 H new ATOM 730 N ILE A 45 -2.965 -2.759 -10.839 1.00 0.00 N ATOM 731 CA ILE A 45 -3.172 -3.563 -9.634 1.00 0.00 C ATOM 732 C ILE A 45 -3.282 -5.047 -10.005 1.00 0.00 C ATOM 733 O ILE A 45 -2.573 -5.888 -9.443 1.00 0.00 O ATOM 734 CB ILE A 45 -4.482 -3.125 -8.871 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.384 -1.688 -8.318 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.858 -4.102 -7.761 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.295 -1.473 -7.286 1.00 0.00 C ATOM 0 H ILE A 45 -3.661 -2.024 -10.963 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.316 -3.405 -8.979 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.280 -3.142 -9.614 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.215 -1.005 -9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.343 -1.419 -7.874 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.766 -3.758 -7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.030 -5.090 -8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.047 -4.158 -7.035 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.305 -0.434 -6.958 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.470 -2.126 -6.431 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.325 -1.705 -7.727 1.00 0.00 H new ATOM 749 N ILE A 46 -4.126 -5.333 -10.997 1.00 0.00 N ATOM 750 CA ILE A 46 -4.411 -6.699 -11.450 1.00 0.00 C ATOM 751 C ILE A 46 -3.132 -7.481 -11.769 1.00 0.00 C ATOM 752 O ILE A 46 -2.966 -8.618 -11.299 1.00 0.00 O ATOM 753 CB ILE A 46 -5.344 -6.711 -12.702 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.673 -6.012 -12.388 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.599 -8.146 -13.177 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.599 -5.879 -13.580 1.00 0.00 C ATOM 0 H ILE A 46 -4.637 -4.618 -11.515 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.921 -7.188 -10.620 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.844 -6.167 -13.503 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.186 -6.567 -11.603 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.464 -5.018 -11.991 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.251 -8.130 -14.050 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.651 -8.616 -13.441 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.076 -8.714 -12.378 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.516 -5.375 -13.274 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.107 -5.297 -14.360 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.841 -6.870 -13.965 1.00 0.00 H new ATOM 768 N TYR A 47 -2.219 -6.865 -12.525 1.00 0.00 N ATOM 769 CA TYR A 47 -0.992 -7.551 -12.947 1.00 0.00 C ATOM 770 C TYR A 47 -0.164 -7.946 -11.740 1.00 0.00 C ATOM 771 O TYR A 47 0.194 -9.120 -11.557 1.00 0.00 O ATOM 772 CB TYR A 47 -0.095 -6.658 -13.804 1.00 0.00 C ATOM 773 CG TYR A 47 -0.754 -5.936 -14.935 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.408 -6.607 -15.951 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.714 -4.565 -14.976 1.00 0.00 C ATOM 776 CE1 TYR A 47 -2.001 -5.918 -16.984 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.296 -3.861 -15.991 1.00 0.00 C ATOM 778 CZ TYR A 47 -1.947 -4.543 -17.002 1.00 0.00 C ATOM 779 OH TYR A 47 -2.537 -3.848 -18.044 1.00 0.00 O ATOM 0 H TYR A 47 -2.303 -5.904 -12.855 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.318 -8.419 -13.521 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.371 -5.918 -13.153 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.707 -7.273 -14.213 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.454 -7.686 -15.934 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.209 -4.029 -14.186 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.505 -6.453 -17.775 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.248 -2.782 -16.004 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.412 -2.886 -17.908 1.00 0.00 H new ATOM 789 N VAL A 48 0.097 -6.964 -10.911 1.00 0.00 N ATOM 790 CA VAL A 48 0.976 -7.092 -9.769 1.00 0.00 C ATOM 791 C VAL A 48 0.417 -8.057 -8.736 1.00 0.00 C ATOM 792 O VAL A 48 1.140 -8.926 -8.216 1.00 0.00 O ATOM 793 CB VAL A 48 1.225 -5.705 -9.140 1.00 0.00 C ATOM 794 CG1 VAL A 48 2.183 -5.783 -7.966 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.751 -4.755 -10.198 1.00 0.00 C ATOM 0 H VAL A 48 -0.304 -6.032 -11.012 1.00 0.00 H new ATOM 0 HA VAL A 48 1.924 -7.503 -10.116 1.00 0.00 H new ATOM 0 HB VAL A 48 0.277 -5.329 -8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.332 -4.786 -7.551 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.767 -6.437 -7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.140 -6.183 -8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.927 -3.776 -9.753 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.686 -5.143 -10.603 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.019 -4.663 -11.000 1.00 0.00 H new ATOM 805 N TYR A 49 -0.864 -7.943 -8.472 1.00 0.00 N ATOM 806 CA TYR A 49 -1.527 -8.795 -7.505 1.00 0.00 C ATOM 807 C TYR A 49 -1.580 -10.236 -7.980 1.00 0.00 C ATOM 808 O TYR A 49 -1.434 -11.151 -7.191 1.00 0.00 O ATOM 809 CB TYR A 49 -2.923 -8.258 -7.137 1.00 0.00 C ATOM 810 CG TYR A 49 -2.909 -7.025 -6.224 1.00 0.00 C ATOM 811 CD1 TYR A 49 -1.959 -6.015 -6.370 1.00 0.00 C ATOM 812 CD2 TYR A 49 -3.843 -6.888 -5.209 1.00 0.00 C ATOM 813 CE1 TYR A 49 -1.944 -4.915 -5.541 1.00 0.00 C ATOM 814 CE2 TYR A 49 -3.835 -5.786 -4.371 1.00 0.00 C ATOM 815 CZ TYR A 49 -2.881 -4.803 -4.544 1.00 0.00 C ATOM 816 OH TYR A 49 -2.861 -3.708 -3.712 1.00 0.00 O ATOM 0 H TYR A 49 -1.476 -7.260 -8.918 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.931 -8.779 -6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.456 -8.009 -8.054 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.486 -9.052 -6.646 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.218 -6.097 -7.151 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.591 -7.655 -5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.199 -4.145 -5.675 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.571 -5.696 -3.586 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.590 -3.779 -3.061 1.00 0.00 H new ATOM 826 N SER A 50 -1.721 -10.429 -9.276 1.00 0.00 N ATOM 827 CA SER A 50 -1.746 -11.763 -9.838 1.00 0.00 C ATOM 828 C SER A 50 -0.325 -12.354 -9.928 1.00 0.00 C ATOM 829 O SER A 50 -0.140 -13.577 -9.993 1.00 0.00 O ATOM 830 CB SER A 50 -2.437 -11.749 -11.192 1.00 0.00 C ATOM 831 OG SER A 50 -3.753 -11.208 -11.063 1.00 0.00 O ATOM 0 H SER A 50 -1.820 -9.678 -9.959 1.00 0.00 H new ATOM 0 HA SER A 50 -2.319 -12.410 -9.174 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.858 -11.155 -11.899 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.489 -12.761 -11.594 1.00 0.00 H new ATOM 0 HG SER A 50 -3.712 -10.230 -11.120 1.00 0.00 H new ATOM 837 N SER A 51 0.661 -11.491 -9.936 1.00 0.00 N ATOM 838 CA SER A 51 2.034 -11.904 -9.964 1.00 0.00 C ATOM 839 C SER A 51 2.456 -12.356 -8.563 1.00 0.00 C ATOM 840 O SER A 51 2.966 -13.449 -8.374 1.00 0.00 O ATOM 841 CB SER A 51 2.912 -10.732 -10.458 1.00 0.00 C ATOM 842 OG SER A 51 4.286 -11.071 -10.527 1.00 0.00 O ATOM 0 H SER A 51 0.529 -10.480 -9.923 1.00 0.00 H new ATOM 0 HA SER A 51 2.161 -12.742 -10.650 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.570 -10.417 -11.444 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.785 -9.881 -9.789 1.00 0.00 H new ATOM 0 HG SER A 51 4.798 -10.299 -10.846 1.00 0.00 H new ATOM 848 N HIS A 52 2.164 -11.544 -7.579 1.00 0.00 N ATOM 849 CA HIS A 52 2.605 -11.819 -6.220 1.00 0.00 C ATOM 850 C HIS A 52 1.428 -12.312 -5.384 1.00 0.00 C ATOM 851 O HIS A 52 1.276 -11.928 -4.222 1.00 0.00 O ATOM 852 CB HIS A 52 3.218 -10.549 -5.596 1.00 0.00 C ATOM 853 CG HIS A 52 4.346 -9.937 -6.398 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.672 -10.296 -6.266 1.00 0.00 N ATOM 855 CD2 HIS A 52 4.323 -8.966 -7.342 1.00 0.00 C ATOM 856 CE1 HIS A 52 6.404 -9.567 -7.093 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.602 -8.757 -7.750 1.00 0.00 N ATOM 0 H HIS A 52 1.623 -10.686 -7.685 1.00 0.00 H new ATOM 0 HA HIS A 52 3.369 -12.596 -6.241 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.432 -9.804 -5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.587 -10.791 -4.599 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.446 -8.451 -7.705 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.476 -9.627 -7.209 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.894 -8.079 -8.454 1.00 0.00 H new ATOM 866 N LEU A 53 0.660 -13.242 -5.973 1.00 0.00 N ATOM 867 CA LEU A 53 -0.589 -13.797 -5.388 1.00 0.00 C ATOM 868 C LEU A 53 -0.473 -14.201 -3.944 1.00 0.00 C ATOM 869 O LEU A 53 -1.351 -13.909 -3.167 1.00 0.00 O ATOM 870 CB LEU A 53 -1.064 -15.030 -6.154 1.00 0.00 C ATOM 871 CG LEU A 53 -1.651 -14.819 -7.537 1.00 0.00 C ATOM 872 CD1 LEU A 53 -1.885 -16.158 -8.212 1.00 0.00 C ATOM 873 CD2 LEU A 53 -2.961 -14.067 -7.441 1.00 0.00 C ATOM 0 H LEU A 53 0.886 -13.641 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.299 -12.974 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.219 -15.712 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.814 -15.535 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.946 -14.234 -8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.307 -15.997 -9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.938 -16.690 -8.302 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.579 -16.750 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.372 -13.922 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.666 -14.640 -6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.790 -13.097 -6.975 1.00 0.00 H new ATOM 885 N ASP A 54 0.609 -14.861 -3.601 1.00 0.00 N ATOM 886 CA ASP A 54 0.796 -15.418 -2.249 1.00 0.00 C ATOM 887 C ASP A 54 0.613 -14.393 -1.141 1.00 0.00 C ATOM 888 O ASP A 54 -0.208 -14.601 -0.265 1.00 0.00 O ATOM 889 CB ASP A 54 2.171 -16.093 -2.139 1.00 0.00 C ATOM 890 CG ASP A 54 2.607 -16.394 -0.711 1.00 0.00 C ATOM 891 OD1 ASP A 54 2.124 -17.385 -0.114 1.00 0.00 O ATOM 892 OD2 ASP A 54 3.497 -15.667 -0.189 1.00 0.00 O ATOM 0 H ASP A 54 1.389 -15.035 -4.235 1.00 0.00 H new ATOM 0 HA ASP A 54 0.010 -16.160 -2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.152 -17.024 -2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.917 -15.451 -2.607 1.00 0.00 H new ATOM 897 N GLU A 55 1.287 -13.265 -1.218 1.00 0.00 N ATOM 898 CA GLU A 55 1.171 -12.279 -0.149 1.00 0.00 C ATOM 899 C GLU A 55 -0.174 -11.571 -0.222 1.00 0.00 C ATOM 900 O GLU A 55 -0.773 -11.232 0.802 1.00 0.00 O ATOM 901 CB GLU A 55 2.325 -11.296 -0.162 1.00 0.00 C ATOM 902 CG GLU A 55 2.491 -10.530 1.147 1.00 0.00 C ATOM 903 CD GLU A 55 2.693 -11.459 2.330 1.00 0.00 C ATOM 904 OE1 GLU A 55 3.720 -12.165 2.375 1.00 0.00 O ATOM 905 OE2 GLU A 55 1.821 -11.531 3.216 1.00 0.00 O ATOM 0 H GLU A 55 1.907 -13.006 -1.985 1.00 0.00 H new ATOM 0 HA GLU A 55 1.223 -12.807 0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.248 -11.835 -0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.175 -10.584 -0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.344 -9.856 1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.610 -9.911 1.319 1.00 0.00 H new ATOM 912 N ILE A 56 -0.670 -11.407 -1.447 1.00 0.00 N ATOM 913 CA ILE A 56 -1.970 -10.786 -1.692 1.00 0.00 C ATOM 914 C ILE A 56 -3.054 -11.656 -1.049 1.00 0.00 C ATOM 915 O ILE A 56 -4.054 -11.171 -0.546 1.00 0.00 O ATOM 916 CB ILE A 56 -2.278 -10.682 -3.226 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.167 -9.957 -4.008 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.622 -10.017 -3.481 1.00 0.00 C ATOM 919 CD1 ILE A 56 -0.821 -8.577 -3.510 1.00 0.00 C ATOM 0 H ILE A 56 -0.184 -11.700 -2.295 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.954 -9.782 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.320 -11.707 -3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.267 -10.571 -3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.470 -9.883 -5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.803 -9.962 -4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.412 -10.601 -3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.615 -9.011 -3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.029 -8.155 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.703 -7.939 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.481 -8.638 -2.476 1.00 0.00 H new ATOM 931 N ARG A 57 -2.823 -12.939 -1.103 1.00 0.00 N ATOM 932 CA ARG A 57 -3.711 -13.932 -0.580 1.00 0.00 C ATOM 933 C ARG A 57 -3.594 -14.031 0.946 1.00 0.00 C ATOM 934 O ARG A 57 -4.604 -14.096 1.651 1.00 0.00 O ATOM 935 CB ARG A 57 -3.385 -15.251 -1.255 1.00 0.00 C ATOM 936 CG ARG A 57 -4.421 -16.303 -1.099 1.00 0.00 C ATOM 937 CD ARG A 57 -4.104 -17.493 -1.974 1.00 0.00 C ATOM 938 NE ARG A 57 -5.279 -18.329 -2.159 1.00 0.00 N ATOM 939 CZ ARG A 57 -5.672 -18.833 -3.335 1.00 0.00 C ATOM 940 NH1 ARG A 57 -4.861 -18.776 -4.401 1.00 0.00 N ATOM 941 NH2 ARG A 57 -6.844 -19.430 -3.436 1.00 0.00 N ATOM 0 H ARG A 57 -1.983 -13.332 -1.527 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.745 -13.660 -0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.228 -15.070 -2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.443 -15.626 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.476 -16.616 -0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.399 -15.900 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.740 -17.150 -2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.304 -18.079 -1.522 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.842 -18.546 -1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.939 -18.347 -4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.166 -19.162 -5.295 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.449 -19.507 -2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.145 -19.815 -4.331 1.00 0.00 H new ATOM 955 N LYS A 58 -2.363 -14.024 1.438 1.00 0.00 N ATOM 956 CA LYS A 58 -2.077 -14.093 2.876 1.00 0.00 C ATOM 957 C LYS A 58 -2.676 -12.915 3.596 1.00 0.00 C ATOM 958 O LYS A 58 -3.317 -13.067 4.634 1.00 0.00 O ATOM 959 CB LYS A 58 -0.575 -14.088 3.124 1.00 0.00 C ATOM 960 CG LYS A 58 0.150 -15.321 2.639 1.00 0.00 C ATOM 961 CD LYS A 58 1.648 -15.090 2.597 1.00 0.00 C ATOM 962 CE LYS A 58 2.241 -14.823 3.960 1.00 0.00 C ATOM 963 NZ LYS A 58 3.647 -14.383 3.850 1.00 0.00 N ATOM 0 H LYS A 58 -1.528 -13.970 0.855 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.514 -15.018 3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.143 -13.214 2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.398 -13.976 4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.074 -16.161 3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.208 -15.590 1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.133 -15.963 2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.862 -14.246 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.656 -14.058 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.186 -15.726 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.931 -13.907 4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.258 -15.209 3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.743 -13.723 3.052 1.00 0.00 H new ATOM 977 N ASN A 59 -2.481 -11.750 3.048 1.00 0.00 N ATOM 978 CA ASN A 59 -2.965 -10.551 3.666 1.00 0.00 C ATOM 979 C ASN A 59 -3.880 -9.799 2.756 1.00 0.00 C ATOM 980 O ASN A 59 -3.645 -8.626 2.422 1.00 0.00 O ATOM 981 CB ASN A 59 -1.829 -9.667 4.171 1.00 0.00 C ATOM 982 CG ASN A 59 -1.133 -10.257 5.378 1.00 0.00 C ATOM 983 OD1 ASN A 59 -1.544 -10.016 6.514 1.00 0.00 O ATOM 984 ND2 ASN A 59 -0.082 -11.009 5.166 1.00 0.00 N ATOM 0 H ASN A 59 -1.986 -11.606 2.168 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.543 -10.854 4.539 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.103 -9.521 3.371 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.223 -8.684 4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.422 -11.415 5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.232 -11.189 4.212 1.00 0.00 H new ATOM 991 N LYS A 60 -4.960 -10.451 2.380 1.00 0.00 N ATOM 992 CA LYS A 60 -5.923 -9.861 1.488 1.00 0.00 C ATOM 993 C LYS A 60 -6.628 -8.692 2.122 1.00 0.00 C ATOM 994 O LYS A 60 -7.143 -7.852 1.427 1.00 0.00 O ATOM 995 CB LYS A 60 -6.896 -10.900 0.872 1.00 0.00 C ATOM 996 CG LYS A 60 -7.710 -11.764 1.835 1.00 0.00 C ATOM 997 CD LYS A 60 -8.826 -11.019 2.577 1.00 0.00 C ATOM 998 CE LYS A 60 -9.810 -10.330 1.635 1.00 0.00 C ATOM 999 NZ LYS A 60 -10.903 -9.671 2.374 1.00 0.00 N ATOM 0 H LYS A 60 -5.190 -11.397 2.684 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.363 -9.463 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.594 -10.366 0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.316 -11.565 0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.152 -12.589 1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.034 -12.202 2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.368 -11.723 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.382 -10.275 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.281 -9.591 1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.228 -11.063 0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.390 -8.999 1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.580 -10.388 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.511 -9.161 3.191 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.649 -8.659 3.444 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.199 -7.544 4.176 1.00 0.00 C ATOM 1015 C GLU A 61 -6.393 -6.293 3.882 1.00 0.00 C ATOM 1016 O GLU A 61 -6.943 -5.259 3.505 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.156 -7.836 5.663 1.00 0.00 C ATOM 1018 CG GLU A 61 -8.046 -8.974 6.099 1.00 0.00 C ATOM 1019 CD GLU A 61 -9.494 -8.691 5.835 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -10.110 -7.962 6.613 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -10.050 -9.208 4.862 1.00 0.00 O ATOM 0 H GLU A 61 -6.284 -9.407 4.034 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.233 -7.389 3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.129 -8.065 5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.444 -6.936 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.753 -9.884 5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.902 -9.159 7.163 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.081 -6.424 4.006 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.158 -5.330 3.778 1.00 0.00 C ATOM 1030 C PHE A 62 -4.242 -4.878 2.336 1.00 0.00 C ATOM 1031 O PHE A 62 -4.423 -3.693 2.057 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.720 -5.766 4.130 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.662 -4.723 3.858 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.526 -3.622 4.684 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.804 -4.852 2.776 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.561 -2.670 4.435 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.160 -3.905 2.524 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.282 -2.812 3.353 1.00 0.00 C ATOM 0 H PHE A 62 -4.627 -7.299 4.269 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.429 -4.493 4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.684 -6.034 5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.478 -6.666 3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.183 -3.507 5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.894 -5.707 2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.465 -1.814 5.086 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.821 -4.018 1.677 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.038 -2.066 3.156 1.00 0.00 H new ATOM 1048 N TYR A 63 -4.164 -5.832 1.435 1.00 0.00 N ATOM 1049 CA TYR A 63 -4.190 -5.538 0.031 1.00 0.00 C ATOM 1050 C TYR A 63 -5.539 -5.021 -0.456 1.00 0.00 C ATOM 1051 O TYR A 63 -5.583 -4.177 -1.338 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.630 -6.689 -0.795 1.00 0.00 C ATOM 1053 CG TYR A 63 -2.132 -6.838 -0.589 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -1.243 -5.980 -1.226 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.610 -7.802 0.255 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.121 -6.086 -1.034 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.248 -7.915 0.455 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.614 -7.052 -0.193 1.00 0.00 C ATOM 1059 OH TYR A 63 1.973 -7.163 -0.012 1.00 0.00 O ATOM 0 H TYR A 63 -4.082 -6.824 1.658 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.515 -4.697 -0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.131 -7.616 -0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.839 -6.517 -1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.626 -5.215 -1.885 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.279 -8.478 0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.795 -5.413 -1.543 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.142 -8.675 1.116 1.00 0.00 H new ATOM 0 HH TYR A 63 2.161 -7.894 0.614 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.636 -5.497 0.138 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.975 -4.960 -0.204 1.00 0.00 C ATOM 1071 C ASP A 64 -8.047 -3.486 0.160 1.00 0.00 C ATOM 1072 O ASP A 64 -8.439 -2.641 -0.659 1.00 0.00 O ATOM 1073 CB ASP A 64 -9.087 -5.700 0.551 1.00 0.00 C ATOM 1074 CG ASP A 64 -10.490 -5.272 0.141 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -11.053 -4.328 0.736 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -11.069 -5.903 -0.769 1.00 0.00 O ATOM 0 H ASP A 64 -6.637 -6.235 0.842 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.121 -5.099 -1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.979 -6.771 0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.963 -5.532 1.621 1.00 0.00 H new ATOM 1081 N MET A 65 -7.650 -3.179 1.395 1.00 0.00 N ATOM 1082 CA MET A 65 -7.677 -1.816 1.900 1.00 0.00 C ATOM 1083 C MET A 65 -6.791 -0.887 1.098 1.00 0.00 C ATOM 1084 O MET A 65 -7.246 0.179 0.661 1.00 0.00 O ATOM 1085 CB MET A 65 -7.330 -1.753 3.396 1.00 0.00 C ATOM 1086 CG MET A 65 -8.390 -2.383 4.287 1.00 0.00 C ATOM 1087 SD MET A 65 -8.028 -2.278 6.065 1.00 0.00 S ATOM 1088 CE MET A 65 -6.629 -3.382 6.217 1.00 0.00 C ATOM 0 H MET A 65 -7.304 -3.866 2.065 1.00 0.00 H new ATOM 0 HA MET A 65 -8.703 -1.466 1.781 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.378 -2.258 3.563 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.193 -0.711 3.687 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.347 -1.898 4.093 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.503 -3.432 4.012 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.149 -3.230 7.184 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.970 -4.414 6.139 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.914 -3.175 5.421 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.548 -1.289 0.852 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.645 -0.417 0.130 1.00 0.00 C ATOM 1100 C ILE A 66 -5.050 -0.220 -1.320 1.00 0.00 C ATOM 1101 O ILE A 66 -4.982 0.883 -1.795 1.00 0.00 O ATOM 1102 CB ILE A 66 -3.136 -0.784 0.217 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.850 -2.162 -0.360 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.653 -0.701 1.654 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.375 -2.452 -0.523 1.00 0.00 C ATOM 0 H ILE A 66 -5.156 -2.187 1.135 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.751 0.527 0.664 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.589 -0.059 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.291 -2.918 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.339 -2.250 -1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.595 -0.961 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.793 0.314 2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.223 -1.396 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.244 -3.451 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.932 -1.718 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.884 -2.396 0.448 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.516 -1.280 -2.002 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.904 -1.186 -3.425 1.00 0.00 C ATOM 1119 C ALA A 67 -6.930 -0.077 -3.656 1.00 0.00 C ATOM 1120 O ALA A 67 -6.850 0.662 -4.643 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.426 -2.518 -3.942 1.00 0.00 C ATOM 0 H ALA A 67 -5.634 -2.208 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.006 -0.931 -3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.703 -2.418 -4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.649 -3.276 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.300 -2.816 -3.363 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.864 0.042 -2.730 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.872 1.093 -2.750 1.00 0.00 C ATOM 1129 C GLU A 68 -8.192 2.459 -2.614 1.00 0.00 C ATOM 1130 O GLU A 68 -8.324 3.335 -3.479 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.812 0.879 -1.564 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.895 1.941 -1.379 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.971 1.877 -2.423 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -12.923 1.079 -2.249 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -11.917 2.619 -3.421 1.00 0.00 O ATOM 0 H GLU A 68 -7.947 -0.592 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.428 1.061 -3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.296 -0.091 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.214 0.833 -0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.346 1.823 -0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.434 2.928 -1.402 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.422 2.593 -1.546 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.750 3.827 -1.186 1.00 0.00 C ATOM 1144 C ILE A 69 -5.772 4.280 -2.276 1.00 0.00 C ATOM 1145 O ILE A 69 -5.709 5.463 -2.594 1.00 0.00 O ATOM 1146 CB ILE A 69 -6.023 3.663 0.178 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -7.050 3.326 1.270 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -5.236 4.920 0.547 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.445 3.001 2.616 1.00 0.00 C ATOM 0 H ILE A 69 -7.244 1.830 -0.893 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.507 4.605 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.307 2.846 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.730 4.170 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.648 2.477 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.740 4.770 1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.488 5.120 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.917 5.768 0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.240 2.775 3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.788 2.137 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.871 3.856 2.973 1.00 0.00 H new ATOM 1161 N LEU A 70 -5.053 3.331 -2.859 1.00 0.00 N ATOM 1162 CA LEU A 70 -4.083 3.606 -3.916 1.00 0.00 C ATOM 1163 C LEU A 70 -4.717 4.349 -5.078 1.00 0.00 C ATOM 1164 O LEU A 70 -4.233 5.387 -5.477 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.421 2.307 -4.416 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.563 1.543 -3.393 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -2.137 0.198 -3.942 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -1.341 2.355 -3.000 1.00 0.00 C ATOM 0 H LEU A 70 -5.125 2.344 -2.613 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.313 4.245 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.205 1.639 -4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.795 2.550 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.173 1.378 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.532 -0.323 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.021 -0.397 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.552 0.344 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.749 1.795 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.737 2.555 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.658 3.299 -2.557 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.832 3.847 -5.573 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.483 4.455 -6.743 1.00 0.00 C ATOM 1182 C GLN A 71 -7.086 5.799 -6.359 1.00 0.00 C ATOM 1183 O GLN A 71 -6.882 6.834 -7.022 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.590 3.539 -7.263 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.183 2.083 -7.358 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.260 1.200 -7.930 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.033 1.616 -8.799 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.375 0.013 -7.397 1.00 0.00 N ATOM 0 H GLN A 71 -6.310 3.029 -5.196 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.736 4.598 -7.523 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.456 3.623 -6.607 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.902 3.885 -8.249 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.290 2.002 -7.977 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.916 1.722 -6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.714 -0.291 -6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.125 -0.610 -7.696 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.769 5.764 -5.254 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.512 6.868 -4.706 1.00 0.00 C ATOM 1199 C ARG A 72 -7.593 8.064 -4.391 1.00 0.00 C ATOM 1200 O ARG A 72 -7.896 9.212 -4.741 1.00 0.00 O ATOM 1201 CB ARG A 72 -9.196 6.332 -3.463 1.00 0.00 C ATOM 1202 CG ARG A 72 -10.204 7.210 -2.777 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.838 6.393 -1.671 1.00 0.00 C ATOM 1204 NE ARG A 72 -11.741 7.154 -0.824 1.00 0.00 N ATOM 1205 CZ ARG A 72 -11.693 7.148 0.505 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -10.818 6.374 1.132 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -12.548 7.877 1.203 1.00 0.00 N ATOM 0 H ARG A 72 -7.828 4.924 -4.679 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.244 7.249 -5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.693 5.400 -3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.422 6.083 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.724 8.100 -2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.960 7.551 -3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.385 5.561 -2.114 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.050 5.963 -1.052 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.454 7.727 -1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.182 5.784 0.595 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.780 6.369 2.151 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.246 8.445 0.722 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.510 7.871 2.222 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.462 7.793 -3.788 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.555 8.844 -3.408 1.00 0.00 C ATOM 1223 C TYR A 73 -4.506 9.157 -4.462 1.00 0.00 C ATOM 1224 O TYR A 73 -3.888 10.215 -4.406 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.952 8.625 -2.013 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.942 8.887 -0.890 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.996 8.018 -0.639 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.836 10.031 -0.103 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.911 8.275 0.361 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -6.754 10.298 0.897 1.00 0.00 C ATOM 1231 CZ TYR A 73 -7.790 9.412 1.123 1.00 0.00 C ATOM 1232 OH TYR A 73 -8.725 9.680 2.095 1.00 0.00 O ATOM 0 H TYR A 73 -6.148 6.852 -3.550 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.166 9.744 -3.342 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.588 7.600 -1.937 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.089 9.280 -1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.101 7.125 -1.237 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.024 10.721 -0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.721 7.584 0.544 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.662 11.192 1.496 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.272 8.882 2.251 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.314 8.281 -5.445 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.388 8.598 -6.537 1.00 0.00 C ATOM 1244 C TYR A 74 -3.956 9.754 -7.353 1.00 0.00 C ATOM 1245 O TYR A 74 -3.221 10.574 -7.899 1.00 0.00 O ATOM 1246 CB TYR A 74 -3.061 7.351 -7.416 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.425 7.445 -8.895 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -2.562 8.034 -9.817 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -4.627 6.939 -9.360 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -2.900 8.115 -11.155 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -4.968 7.017 -10.691 1.00 0.00 C ATOM 1252 CZ TYR A 74 -4.105 7.604 -11.584 1.00 0.00 C ATOM 1253 OH TYR A 74 -4.456 7.690 -12.915 1.00 0.00 O ATOM 0 H TYR A 74 -4.770 7.371 -5.512 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.433 8.907 -6.112 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.992 7.151 -7.340 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.577 6.490 -6.992 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.616 8.433 -9.482 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.310 6.474 -8.665 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.224 8.576 -11.859 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.912 6.618 -11.032 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.336 7.280 -13.048 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.273 9.827 -7.391 1.00 0.00 N ATOM 1264 CA LYS A 75 -5.950 10.911 -8.073 1.00 0.00 C ATOM 1265 C LYS A 75 -5.976 12.172 -7.211 1.00 0.00 C ATOM 1266 O LYS A 75 -6.199 13.271 -7.714 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.379 10.514 -8.474 1.00 0.00 C ATOM 1268 CG LYS A 75 -7.443 9.326 -9.421 1.00 0.00 C ATOM 1269 CD LYS A 75 -8.855 9.024 -9.970 1.00 0.00 C ATOM 1270 CE LYS A 75 -9.864 8.515 -8.921 1.00 0.00 C ATOM 1271 NZ LYS A 75 -10.387 9.560 -8.006 1.00 0.00 N ATOM 0 H LYS A 75 -5.896 9.146 -6.956 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.387 11.124 -8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.947 10.280 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.865 11.369 -8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.772 9.509 -10.260 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.071 8.442 -8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.253 9.930 -10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.770 8.280 -10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.704 8.052 -9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.387 7.736 -8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.018 9.398 -7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.084 10.497 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.426 9.518 -7.989 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.737 12.013 -5.921 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.820 13.138 -5.017 1.00 0.00 C ATOM 1287 C LYS A 76 -4.438 13.732 -4.753 1.00 0.00 C ATOM 1288 O LYS A 76 -4.231 14.928 -4.917 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.470 12.719 -3.684 1.00 0.00 C ATOM 1290 CG LYS A 76 -6.835 13.899 -2.792 1.00 0.00 C ATOM 1291 CD LYS A 76 -7.417 13.459 -1.459 1.00 0.00 C ATOM 1292 CE LYS A 76 -8.001 14.641 -0.681 1.00 0.00 C ATOM 1293 NZ LYS A 76 -7.007 15.696 -0.365 1.00 0.00 N ATOM 0 H LYS A 76 -5.487 11.126 -5.484 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.441 13.898 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.369 12.139 -3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.786 12.063 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.947 14.506 -2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.556 14.532 -3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.195 12.715 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.641 12.979 -0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.813 15.081 -1.261 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.436 14.274 0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.467 16.456 0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.235 15.288 0.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.621 16.085 -1.249 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.492 12.897 -4.380 1.00 0.00 N ATOM 1308 CA ILE A 77 -2.159 13.371 -4.028 1.00 0.00 C ATOM 1309 C ILE A 77 -1.074 12.811 -4.948 1.00 0.00 C ATOM 1310 O ILE A 77 -0.031 13.426 -5.124 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.799 13.092 -2.537 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.947 11.598 -2.197 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.651 13.955 -1.608 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.581 11.243 -0.771 1.00 0.00 C ATOM 0 H ILE A 77 -3.615 11.887 -4.311 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.192 14.451 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.753 13.360 -2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.978 11.296 -2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.320 11.019 -2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.385 13.746 -0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.471 15.008 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.705 13.727 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.714 10.172 -0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.541 11.510 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.225 11.791 -0.083 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.321 11.666 -5.531 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.347 11.085 -6.429 1.00 0.00 C ATOM 1328 C GLY A 78 0.096 9.733 -5.949 1.00 0.00 C ATOM 1329 O GLY A 78 0.231 9.528 -4.743 1.00 0.00 O ATOM 0 H GLY A 78 -2.174 11.121 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.776 10.997 -7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.516 11.746 -6.510 1.00 0.00 H new ATOM 1333 N ILE A 79 0.338 8.819 -6.877 1.00 0.00 N ATOM 1334 CA ILE A 79 0.685 7.442 -6.541 1.00 0.00 C ATOM 1335 C ILE A 79 1.979 7.351 -5.717 1.00 0.00 C ATOM 1336 O ILE A 79 2.017 6.634 -4.722 1.00 0.00 O ATOM 1337 CB ILE A 79 0.733 6.496 -7.799 1.00 0.00 C ATOM 1338 CG1 ILE A 79 0.979 5.035 -7.387 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.784 6.944 -8.816 1.00 0.00 C ATOM 1340 CD1 ILE A 79 -0.105 4.448 -6.497 1.00 0.00 C ATOM 0 H ILE A 79 0.300 9.007 -7.879 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.127 7.079 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.243 6.563 -8.279 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.065 4.425 -8.286 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.935 4.972 -6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.781 6.262 -9.666 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.552 7.952 -9.159 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.769 6.937 -8.349 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.145 3.416 -6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.177 5.031 -5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.060 4.476 -7.021 1.00 0.00 H new ATOM 1352 N GLU A 80 3.007 8.128 -6.095 1.00 0.00 N ATOM 1353 CA GLU A 80 4.286 8.116 -5.371 1.00 0.00 C ATOM 1354 C GLU A 80 4.074 8.496 -3.912 1.00 0.00 C ATOM 1355 O GLU A 80 4.638 7.884 -2.994 1.00 0.00 O ATOM 1356 CB GLU A 80 5.279 9.097 -5.986 1.00 0.00 C ATOM 1357 CG GLU A 80 5.754 8.766 -7.387 1.00 0.00 C ATOM 1358 CD GLU A 80 6.798 9.752 -7.855 1.00 0.00 C ATOM 1359 OE1 GLU A 80 7.927 9.739 -7.320 1.00 0.00 O ATOM 1360 OE2 GLU A 80 6.512 10.574 -8.738 1.00 0.00 O ATOM 0 H GLU A 80 2.978 8.766 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 80 4.688 7.105 -5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.821 10.086 -6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.150 9.160 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.168 7.758 -7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.907 8.775 -8.073 1.00 0.00 H new ATOM 1367 N ASN A 81 3.236 9.491 -3.722 1.00 0.00 N ATOM 1368 CA ASN A 81 2.913 10.014 -2.408 1.00 0.00 C ATOM 1369 C ASN A 81 2.236 8.942 -1.581 1.00 0.00 C ATOM 1370 O ASN A 81 2.639 8.677 -0.448 1.00 0.00 O ATOM 1371 CB ASN A 81 1.998 11.261 -2.509 1.00 0.00 C ATOM 1372 CG ASN A 81 2.630 12.447 -3.246 1.00 0.00 C ATOM 1373 OD1 ASN A 81 3.469 12.284 -4.144 1.00 0.00 O ATOM 1374 ND2 ASN A 81 2.237 13.642 -2.889 1.00 0.00 N ATOM 0 H ASN A 81 2.752 9.967 -4.483 1.00 0.00 H new ATOM 0 HA ASN A 81 3.842 10.315 -1.924 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.076 10.981 -3.019 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.723 11.578 -1.503 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.622 14.465 -3.352 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.545 13.751 -2.147 1.00 0.00 H new ATOM 1381 N VAL A 82 1.237 8.291 -2.175 1.00 0.00 N ATOM 1382 CA VAL A 82 0.478 7.242 -1.497 1.00 0.00 C ATOM 1383 C VAL A 82 1.388 6.074 -1.129 1.00 0.00 C ATOM 1384 O VAL A 82 1.371 5.613 0.009 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.705 6.712 -2.356 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.548 5.730 -1.556 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.569 7.850 -2.844 1.00 0.00 C ATOM 0 H VAL A 82 0.933 8.474 -3.131 1.00 0.00 H new ATOM 0 HA VAL A 82 0.065 7.694 -0.595 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.286 6.198 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.371 5.370 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.930 4.887 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.948 6.229 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.389 7.453 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.973 8.393 -1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.970 8.527 -3.453 1.00 0.00 H new ATOM 1397 N ASN A 83 2.207 5.640 -2.086 1.00 0.00 N ATOM 1398 CA ASN A 83 3.144 4.516 -1.891 1.00 0.00 C ATOM 1399 C ASN A 83 4.026 4.736 -0.673 1.00 0.00 C ATOM 1400 O ASN A 83 4.163 3.857 0.186 1.00 0.00 O ATOM 1401 CB ASN A 83 4.034 4.284 -3.137 1.00 0.00 C ATOM 1402 CG ASN A 83 3.273 3.762 -4.347 1.00 0.00 C ATOM 1403 OD1 ASN A 83 2.265 3.092 -4.216 1.00 0.00 O ATOM 1404 ND2 ASN A 83 3.761 4.042 -5.534 1.00 0.00 N ATOM 0 H ASN A 83 2.246 6.051 -3.019 1.00 0.00 H new ATOM 0 HA ASN A 83 2.533 3.628 -1.732 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.522 5.222 -3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.822 3.576 -2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.294 3.696 -6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.607 4.605 -5.618 1.00 0.00 H new ATOM 1411 N GLN A 84 4.569 5.933 -0.575 1.00 0.00 N ATOM 1412 CA GLN A 84 5.458 6.304 0.517 1.00 0.00 C ATOM 1413 C GLN A 84 4.661 6.276 1.845 1.00 0.00 C ATOM 1414 O GLN A 84 5.136 5.768 2.871 1.00 0.00 O ATOM 1415 CB GLN A 84 6.017 7.715 0.243 1.00 0.00 C ATOM 1416 CG GLN A 84 7.356 8.079 0.917 1.00 0.00 C ATOM 1417 CD GLN A 84 7.365 7.973 2.421 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.016 8.918 3.127 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.819 6.858 2.924 1.00 0.00 N ATOM 0 H GLN A 84 4.408 6.680 -1.250 1.00 0.00 H new ATOM 0 HA GLN A 84 6.290 5.604 0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.138 7.829 -0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.270 8.443 0.558 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.134 7.429 0.518 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.619 9.099 0.639 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.099 6.096 2.306 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.894 6.748 3.935 1.00 0.00 H new ATOM 1428 N LEU A 85 3.447 6.783 1.807 1.00 0.00 N ATOM 1429 CA LEU A 85 2.592 6.829 2.988 1.00 0.00 C ATOM 1430 C LEU A 85 2.214 5.417 3.459 1.00 0.00 C ATOM 1431 O LEU A 85 2.133 5.158 4.668 1.00 0.00 O ATOM 1432 CB LEU A 85 1.354 7.698 2.726 1.00 0.00 C ATOM 1433 CG LEU A 85 1.657 9.162 2.361 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.390 9.924 2.017 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.418 9.860 3.483 1.00 0.00 C ATOM 0 H LEU A 85 3.022 7.174 0.966 1.00 0.00 H new ATOM 0 HA LEU A 85 3.154 7.292 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.777 7.249 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.723 7.683 3.614 1.00 0.00 H new ATOM 0 HG LEU A 85 2.290 9.152 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.642 10.954 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.099 9.451 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.284 9.915 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.619 10.893 3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.819 9.844 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.361 9.342 3.660 1.00 0.00 H new ATOM 1447 N ILE A 86 2.026 4.506 2.511 1.00 0.00 N ATOM 1448 CA ILE A 86 1.749 3.106 2.824 1.00 0.00 C ATOM 1449 C ILE A 86 2.981 2.488 3.493 1.00 0.00 C ATOM 1450 O ILE A 86 2.873 1.842 4.538 1.00 0.00 O ATOM 1451 CB ILE A 86 1.370 2.281 1.548 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.115 2.857 0.857 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.169 0.797 1.876 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.132 2.897 1.726 1.00 0.00 C ATOM 0 H ILE A 86 2.060 4.712 1.513 1.00 0.00 H new ATOM 0 HA ILE A 86 0.893 3.074 3.498 1.00 0.00 H new ATOM 0 HB ILE A 86 2.207 2.362 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.337 3.869 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.098 2.263 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.907 0.256 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.091 0.388 2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.366 0.691 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.960 3.317 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.386 1.886 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.945 3.517 2.603 1.00 0.00 H new ATOM 1466 N LEU A 87 4.150 2.750 2.916 1.00 0.00 N ATOM 1467 CA LEU A 87 5.417 2.258 3.458 1.00 0.00 C ATOM 1468 C LEU A 87 5.653 2.761 4.872 1.00 0.00 C ATOM 1469 O LEU A 87 6.065 2.011 5.742 1.00 0.00 O ATOM 1470 CB LEU A 87 6.589 2.629 2.552 1.00 0.00 C ATOM 1471 CG LEU A 87 6.584 1.966 1.178 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.746 2.448 0.339 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.636 0.455 1.322 1.00 0.00 C ATOM 0 H LEU A 87 4.248 3.305 2.066 1.00 0.00 H new ATOM 0 HA LEU A 87 5.349 1.171 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.594 3.710 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.517 2.368 3.060 1.00 0.00 H new ATOM 0 HG LEU A 87 5.659 2.243 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.719 1.960 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.676 3.528 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.683 2.205 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.632 -0.005 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.546 0.171 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.768 0.113 1.885 1.00 0.00 H new ATOM 1485 N THR A 88 5.357 4.018 5.096 1.00 0.00 N ATOM 1486 CA THR A 88 5.487 4.627 6.407 1.00 0.00 C ATOM 1487 C THR A 88 4.515 3.973 7.424 1.00 0.00 C ATOM 1488 O THR A 88 4.831 3.831 8.606 1.00 0.00 O ATOM 1489 CB THR A 88 5.270 6.151 6.314 1.00 0.00 C ATOM 1490 OG1 THR A 88 6.190 6.677 5.340 1.00 0.00 O ATOM 1491 CG2 THR A 88 5.532 6.831 7.655 1.00 0.00 C ATOM 0 H THR A 88 5.017 4.654 4.375 1.00 0.00 H new ATOM 0 HA THR A 88 6.500 4.453 6.771 1.00 0.00 H new ATOM 0 HB THR A 88 4.236 6.344 6.029 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.854 6.491 4.438 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.371 7.904 7.556 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.852 6.429 8.406 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.561 6.646 7.962 1.00 0.00 H new ATOM 1499 N THR A 89 3.366 3.568 6.945 1.00 0.00 N ATOM 1500 CA THR A 89 2.362 2.924 7.758 1.00 0.00 C ATOM 1501 C THR A 89 2.810 1.517 8.215 1.00 0.00 C ATOM 1502 O THR A 89 2.574 1.123 9.377 1.00 0.00 O ATOM 1503 CB THR A 89 1.033 2.880 6.972 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.617 4.223 6.715 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.060 2.136 7.713 1.00 0.00 C ATOM 0 H THR A 89 3.097 3.677 5.967 1.00 0.00 H new ATOM 0 HA THR A 89 2.215 3.503 8.670 1.00 0.00 H new ATOM 0 HB THR A 89 1.206 2.338 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.078 4.562 5.919 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.971 2.137 7.114 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.256 1.108 7.892 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.252 2.627 8.667 1.00 0.00 H new ATOM 1513 N ILE A 90 3.502 0.800 7.336 1.00 0.00 N ATOM 1514 CA ILE A 90 3.950 -0.550 7.652 1.00 0.00 C ATOM 1515 C ILE A 90 5.289 -0.552 8.382 1.00 0.00 C ATOM 1516 O ILE A 90 5.776 -1.608 8.781 1.00 0.00 O ATOM 1517 CB ILE A 90 4.048 -1.465 6.402 1.00 0.00 C ATOM 1518 CG1 ILE A 90 5.060 -0.910 5.406 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.682 -1.628 5.751 1.00 0.00 C ATOM 1520 CD1 ILE A 90 5.284 -1.778 4.202 1.00 0.00 C ATOM 0 H ILE A 90 3.763 1.128 6.406 1.00 0.00 H new ATOM 0 HA ILE A 90 3.182 -0.957 8.310 1.00 0.00 H new ATOM 0 HB ILE A 90 4.393 -2.448 6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.723 0.072 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.012 -0.765 5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.770 -2.273 4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.990 -2.077 6.464 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.306 -0.652 5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.018 -1.309 3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.653 -2.753 4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.344 -1.903 3.664 1.00 0.00 H new