USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 812 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 39 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 HIS : no HD1:sc= -0.046 X(o=-0.046,f=-0.046) USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0.948 USER MOD Set 2.2: A 93 THR OG1 : rot 77:sc= 1.39 USER MOD Set 3.1: A 9 GLN : amide:sc= 0.32 K(o=-0.49,f=-1.4) USER MOD Set 3.2: A 11 HIS : no HE2:sc= -0.749 K(o=-0.49,f=-2.1) USER MOD Set 3.3: A 18 THR OG1 : rot 170:sc= -0.0639 USER MOD Single : A 2 MET CE :methyl 176:sc= 0 (180deg=-0.00868) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00143 USER MOD Single : A 36 HIS : no HD1:sc= -6.16! C(o=-6.2!,f=-8.4!) USER MOD Single : A 37 SER OG : rot 59:sc= 0.305 USER MOD Single : A 51 GLN : amide:sc= 0.914 K(o=0.91,f=-5.2!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0827 K(o=-0.083,f=-3.5!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 163:sc= 1.25 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 30:sc= 0 USER MOD Single : A 89 TYR OH : rot -96:sc= -0.124 USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0495) USER MOD Single : A 97 GLN : amide:sc= 0.927 K(o=0.93,f=-0.024) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N MET A 2 19.210 -0.174 9.159 1.00 24.20 N ATOM 9 CA MET A 2 17.932 0.076 8.473 1.00 61.15 C ATOM 10 C MET A 2 17.161 -1.218 8.158 1.00 73.23 C ATOM 11 O MET A 2 17.517 -2.308 8.613 1.00 64.25 O ATOM 12 CB MET A 2 18.199 0.951 7.227 1.00 15.42 C ATOM 13 CG MET A 2 17.069 1.913 6.836 1.00 31.44 C ATOM 14 SD MET A 2 17.226 3.589 7.508 1.00 0.12 S ATOM 15 CE MET A 2 18.546 4.262 6.454 1.00 35.40 C ATOM 0 HA MET A 2 17.268 0.623 9.143 1.00 61.15 H new ATOM 0 HB2 MET A 2 19.103 1.534 7.402 1.00 15.42 H new ATOM 0 HB3 MET A 2 18.401 0.294 6.381 1.00 15.42 H new ATOM 0 HG2 MET A 2 17.025 1.976 5.749 1.00 31.44 H new ATOM 0 HG3 MET A 2 16.121 1.491 7.169 1.00 31.44 H new ATOM 0 HE1 MET A 2 18.707 5.312 6.699 1.00 35.40 H new ATOM 0 HE2 MET A 2 19.467 3.704 6.624 1.00 35.40 H new ATOM 0 HE3 MET A 2 18.256 4.174 5.407 1.00 35.40 H new ATOM 25 N ARG A 3 16.040 -1.113 7.443 1.00 2.53 N ATOM 26 CA ARG A 3 15.334 -2.203 6.803 1.00 60.42 C ATOM 27 C ARG A 3 15.208 -1.849 5.328 1.00 13.52 C ATOM 28 O ARG A 3 14.266 -1.158 4.962 1.00 72.02 O ATOM 29 CB ARG A 3 13.945 -2.322 7.454 1.00 44.54 C ATOM 30 CG ARG A 3 13.924 -3.059 8.789 1.00 4.54 C ATOM 31 CD ARG A 3 13.847 -4.572 8.607 1.00 54.34 C ATOM 32 NE ARG A 3 15.104 -5.202 8.168 1.00 1.44 N ATOM 33 CZ ARG A 3 16.024 -5.778 8.952 1.00 35.13 C ATOM 34 NH1 ARG A 3 15.871 -5.831 10.270 1.00 42.23 N ATOM 35 NH2 ARG A 3 17.096 -6.317 8.389 1.00 62.11 N ATOM 0 H ARG A 3 15.583 -0.214 7.292 1.00 2.53 H new ATOM 0 HA ARG A 3 15.855 -3.154 6.912 1.00 60.42 H new ATOM 0 HB2 ARG A 3 13.542 -1.320 7.602 1.00 44.54 H new ATOM 0 HB3 ARG A 3 13.278 -2.835 6.761 1.00 44.54 H new ATOM 0 HG2 ARG A 3 14.820 -2.807 9.356 1.00 4.54 H new ATOM 0 HG3 ARG A 3 13.070 -2.721 9.376 1.00 4.54 H new ATOM 0 HD2 ARG A 3 13.540 -5.023 9.551 1.00 54.34 H new ATOM 0 HD3 ARG A 3 13.069 -4.798 7.878 1.00 54.34 H new ATOM 0 HE ARG A 3 15.293 -5.199 7.166 1.00 1.44 H new ATOM 0 HH11 ARG A 3 15.040 -5.428 10.704 1.00 42.23 H new ATOM 0 HH12 ARG A 3 16.584 -6.275 10.849 1.00 42.23 H new ATOM 0 HH21 ARG A 3 17.209 -6.288 7.376 1.00 62.11 H new ATOM 0 HH22 ARG A 3 17.808 -6.760 8.969 1.00 62.11 H new ATOM 49 N ILE A 4 16.127 -2.276 4.475 1.00 24.33 N ATOM 50 CA ILE A 4 16.084 -1.992 3.039 1.00 1.42 C ATOM 51 C ILE A 4 15.909 -3.306 2.288 1.00 40.15 C ATOM 52 O ILE A 4 16.800 -4.155 2.381 1.00 73.21 O ATOM 53 CB ILE A 4 17.358 -1.248 2.581 1.00 53.55 C ATOM 54 CG1 ILE A 4 17.560 0.007 3.449 1.00 73.12 C ATOM 55 CG2 ILE A 4 17.233 -0.918 1.082 1.00 22.24 C ATOM 56 CD1 ILE A 4 18.647 0.971 2.982 1.00 44.31 C ATOM 0 H ILE A 4 16.932 -2.834 4.757 1.00 24.33 H new ATOM 0 HA ILE A 4 15.241 -1.336 2.821 1.00 1.42 H new ATOM 0 HB ILE A 4 18.242 -1.873 2.710 1.00 53.55 H new ATOM 0 HG12 ILE A 4 16.616 0.549 3.495 1.00 73.12 H new ATOM 0 HG13 ILE A 4 17.795 -0.311 4.465 1.00 73.12 H new ATOM 0 HG21 ILE A 4 18.128 -0.392 0.749 1.00 22.24 H new ATOM 0 HG22 ILE A 4 17.122 -1.842 0.514 1.00 22.24 H new ATOM 0 HG23 ILE A 4 16.360 -0.286 0.920 1.00 22.24 H new ATOM 0 HD11 ILE A 4 18.701 1.817 3.667 1.00 44.31 H new ATOM 0 HD12 ILE A 4 19.607 0.456 2.965 1.00 44.31 H new ATOM 0 HD13 ILE A 4 18.410 1.329 1.980 1.00 44.31 H new ATOM 68 N PRO A 5 14.815 -3.532 1.539 1.00 24.31 N ATOM 69 CA PRO A 5 14.772 -4.663 0.632 1.00 23.24 C ATOM 70 C PRO A 5 15.831 -4.535 -0.445 1.00 73.11 C ATOM 71 O PRO A 5 15.956 -3.506 -1.102 1.00 13.31 O ATOM 72 CB PRO A 5 13.373 -4.692 0.017 1.00 3.33 C ATOM 73 CG PRO A 5 12.900 -3.258 0.195 1.00 63.04 C ATOM 74 CD PRO A 5 13.557 -2.800 1.493 1.00 3.11 C ATOM 0 HA PRO A 5 14.977 -5.590 1.167 1.00 23.24 H new ATOM 0 HB2 PRO A 5 13.398 -4.983 -1.033 1.00 3.33 H new ATOM 0 HB3 PRO A 5 12.721 -5.400 0.528 1.00 3.33 H new ATOM 0 HG2 PRO A 5 13.202 -2.633 -0.645 1.00 63.04 H new ATOM 0 HG3 PRO A 5 11.813 -3.203 0.259 1.00 63.04 H new ATOM 0 HD2 PRO A 5 13.724 -1.723 1.496 1.00 3.11 H new ATOM 0 HD3 PRO A 5 12.932 -3.028 2.357 1.00 3.11 H new ATOM 82 N SER A 6 16.527 -5.637 -0.684 1.00 12.13 N ATOM 83 CA SER A 6 17.375 -5.800 -1.851 1.00 34.12 C ATOM 84 C SER A 6 16.697 -6.637 -2.932 1.00 24.04 C ATOM 85 O SER A 6 17.293 -6.876 -3.987 1.00 2.53 O ATOM 86 CB SER A 6 18.676 -6.439 -1.425 1.00 61.42 C ATOM 87 OG SER A 6 19.312 -5.653 -0.431 1.00 71.12 O ATOM 0 H SER A 6 16.517 -6.449 -0.067 1.00 12.13 H new ATOM 0 HA SER A 6 17.566 -4.818 -2.283 1.00 34.12 H new ATOM 0 HB2 SER A 6 18.487 -7.441 -1.039 1.00 61.42 H new ATOM 0 HB3 SER A 6 19.334 -6.548 -2.287 1.00 61.42 H new ATOM 0 HG SER A 6 20.152 -6.081 -0.164 1.00 71.12 H new ATOM 93 N ALA A 7 15.470 -7.098 -2.682 1.00 14.12 N ATOM 94 CA ALA A 7 14.661 -7.771 -3.675 1.00 54.32 C ATOM 95 C ALA A 7 13.395 -7.007 -3.968 1.00 41.34 C ATOM 96 O ALA A 7 12.318 -7.560 -3.812 1.00 45.45 O ATOM 97 CB ALA A 7 14.401 -9.223 -3.251 1.00 42.21 C ATOM 0 H ALA A 7 15.015 -7.009 -1.774 1.00 14.12 H new ATOM 0 HA ALA A 7 15.212 -7.803 -4.615 1.00 54.32 H new ATOM 0 HB1 ALA A 7 13.791 -9.719 -4.006 1.00 42.21 H new ATOM 0 HB2 ALA A 7 15.351 -9.748 -3.149 1.00 42.21 H new ATOM 0 HB3 ALA A 7 13.876 -9.235 -2.296 1.00 42.21 H new ATOM 103 N ILE A 8 13.537 -5.753 -4.406 1.00 22.22 N ATOM 104 CA ILE A 8 12.433 -5.027 -5.006 1.00 54.23 C ATOM 105 C ILE A 8 12.171 -5.666 -6.366 1.00 4.14 C ATOM 106 O ILE A 8 12.819 -5.329 -7.362 1.00 45.13 O ATOM 107 CB ILE A 8 12.780 -3.533 -5.208 1.00 14.54 C ATOM 108 CG1 ILE A 8 13.187 -2.830 -3.912 1.00 32.41 C ATOM 109 CG2 ILE A 8 11.616 -2.780 -5.887 1.00 50.11 C ATOM 110 CD1 ILE A 8 12.075 -2.873 -2.876 1.00 32.21 C ATOM 0 H ILE A 8 14.409 -5.226 -4.353 1.00 22.22 H new ATOM 0 HA ILE A 8 11.561 -5.077 -4.354 1.00 54.23 H new ATOM 0 HB ILE A 8 13.650 -3.511 -5.865 1.00 14.54 H new ATOM 0 HG12 ILE A 8 14.081 -3.304 -3.506 1.00 32.41 H new ATOM 0 HG13 ILE A 8 13.445 -1.793 -4.126 1.00 32.41 H new ATOM 0 HG21 ILE A 8 11.887 -1.732 -6.017 1.00 50.11 H new ATOM 0 HG22 ILE A 8 11.413 -3.226 -6.861 1.00 50.11 H new ATOM 0 HG23 ILE A 8 10.725 -2.850 -5.263 1.00 50.11 H new ATOM 0 HD11 ILE A 8 12.402 -2.363 -1.970 1.00 32.21 H new ATOM 0 HD12 ILE A 8 11.189 -2.376 -3.272 1.00 32.21 H new ATOM 0 HD13 ILE A 8 11.835 -3.910 -2.643 1.00 32.21 H new ATOM 122 N GLN A 9 11.196 -6.547 -6.415 1.00 72.34 N ATOM 123 CA GLN A 9 10.619 -7.024 -7.646 1.00 41.24 C ATOM 124 C GLN A 9 9.374 -6.189 -7.905 1.00 22.11 C ATOM 125 O GLN A 9 8.319 -6.447 -7.323 1.00 64.44 O ATOM 126 CB GLN A 9 10.379 -8.535 -7.550 1.00 52.24 C ATOM 127 CG GLN A 9 11.507 -9.271 -8.275 1.00 2.14 C ATOM 128 CD GLN A 9 11.631 -10.757 -7.956 1.00 30.04 C ATOM 129 OE1 GLN A 9 12.720 -11.324 -7.993 1.00 5.33 O ATOM 130 NE2 GLN A 9 10.547 -11.470 -7.711 1.00 63.11 N ATOM 0 H GLN A 9 10.776 -6.958 -5.581 1.00 72.34 H new ATOM 0 HA GLN A 9 11.279 -6.902 -8.505 1.00 41.24 H new ATOM 0 HB2 GLN A 9 10.340 -8.843 -6.505 1.00 52.24 H new ATOM 0 HB3 GLN A 9 9.417 -8.791 -7.994 1.00 52.24 H new ATOM 0 HG2 GLN A 9 11.359 -9.159 -9.349 1.00 2.14 H new ATOM 0 HG3 GLN A 9 12.451 -8.784 -8.030 1.00 2.14 H new ATOM 0 HE21 GLN A 9 9.635 -11.015 -7.677 1.00 63.11 H new ATOM 0 HE22 GLN A 9 10.622 -12.475 -7.556 1.00 63.11 H new ATOM 139 N LEU A 10 9.500 -5.169 -8.761 1.00 54.45 N ATOM 140 CA LEU A 10 8.361 -4.582 -9.429 1.00 25.43 C ATOM 141 C LEU A 10 7.945 -5.618 -10.469 1.00 50.11 C ATOM 142 O LEU A 10 8.525 -5.659 -11.560 1.00 73.23 O ATOM 143 CB LEU A 10 8.787 -3.270 -10.097 1.00 33.32 C ATOM 144 CG LEU A 10 7.791 -2.728 -11.142 1.00 53.54 C ATOM 145 CD1 LEU A 10 6.434 -2.333 -10.556 1.00 32.43 C ATOM 146 CD2 LEU A 10 8.491 -1.580 -11.862 1.00 33.43 C ATOM 0 H LEU A 10 10.393 -4.738 -9.001 1.00 54.45 H new ATOM 0 HA LEU A 10 7.541 -4.345 -8.752 1.00 25.43 H new ATOM 0 HB2 LEU A 10 8.930 -2.514 -9.325 1.00 33.32 H new ATOM 0 HB3 LEU A 10 9.753 -3.420 -10.579 1.00 33.32 H new ATOM 0 HG LEU A 10 7.530 -3.517 -11.847 1.00 53.54 H new ATOM 0 HD11 LEU A 10 5.788 -1.961 -11.352 1.00 32.43 H new ATOM 0 HD12 LEU A 10 5.972 -3.203 -10.090 1.00 32.43 H new ATOM 0 HD13 LEU A 10 6.574 -1.553 -9.808 1.00 32.43 H new ATOM 0 HD21 LEU A 10 7.823 -1.162 -12.615 1.00 33.43 H new ATOM 0 HD22 LEU A 10 8.756 -0.806 -11.141 1.00 33.43 H new ATOM 0 HD23 LEU A 10 9.395 -1.951 -12.345 1.00 33.43 H new ATOM 158 N HIS A 11 6.988 -6.467 -10.125 1.00 71.41 N ATOM 159 CA HIS A 11 6.357 -7.347 -11.079 1.00 30.21 C ATOM 160 C HIS A 11 5.283 -6.523 -11.804 1.00 13.42 C ATOM 161 O HIS A 11 4.176 -6.335 -11.289 1.00 32.31 O ATOM 162 CB HIS A 11 5.780 -8.562 -10.352 1.00 13.30 C ATOM 163 CG HIS A 11 6.742 -9.499 -9.673 1.00 61.05 C ATOM 164 ND1 HIS A 11 7.357 -10.591 -10.251 1.00 65.05 N ATOM 165 CD2 HIS A 11 6.996 -9.549 -8.331 1.00 72.04 C ATOM 166 CE1 HIS A 11 7.936 -11.299 -9.274 1.00 5.24 C ATOM 167 NE2 HIS A 11 7.749 -10.703 -8.088 1.00 2.54 N ATOM 0 H HIS A 11 6.631 -6.560 -9.174 1.00 71.41 H new ATOM 0 HA HIS A 11 7.063 -7.735 -11.813 1.00 30.21 H new ATOM 0 HB2 HIS A 11 5.079 -8.200 -9.600 1.00 13.30 H new ATOM 0 HB3 HIS A 11 5.203 -9.140 -11.073 1.00 13.30 H new ATOM 0 HD1 HIS A 11 7.368 -10.818 -11.245 1.00 65.05 H new ATOM 0 HD2 HIS A 11 6.674 -8.829 -7.593 1.00 72.04 H new ATOM 0 HE1 HIS A 11 8.478 -12.222 -9.421 1.00 5.24 H new ATOM 175 N LYS A 12 5.593 -5.961 -12.981 1.00 61.02 N ATOM 176 CA LYS A 12 4.606 -5.139 -13.695 1.00 44.11 C ATOM 177 C LYS A 12 3.435 -5.971 -14.216 1.00 52.12 C ATOM 178 O LYS A 12 2.299 -5.486 -14.182 1.00 24.14 O ATOM 179 CB LYS A 12 5.222 -4.365 -14.875 1.00 71.05 C ATOM 180 CG LYS A 12 5.890 -3.032 -14.489 1.00 3.11 C ATOM 181 CD LYS A 12 5.702 -1.987 -15.607 1.00 14.50 C ATOM 182 CE LYS A 12 6.353 -0.628 -15.314 1.00 1.33 C ATOM 183 NZ LYS A 12 7.143 -0.113 -16.452 1.00 42.53 N ATOM 0 H LYS A 12 6.494 -6.056 -13.449 1.00 61.02 H new ATOM 0 HA LYS A 12 4.243 -4.424 -12.956 1.00 44.11 H new ATOM 0 HB2 LYS A 12 5.962 -5.000 -15.362 1.00 71.05 H new ATOM 0 HB3 LYS A 12 4.441 -4.166 -15.609 1.00 71.05 H new ATOM 0 HG2 LYS A 12 5.460 -2.659 -13.559 1.00 3.11 H new ATOM 0 HG3 LYS A 12 6.953 -3.191 -14.307 1.00 3.11 H new ATOM 0 HD2 LYS A 12 6.117 -2.384 -16.533 1.00 14.50 H new ATOM 0 HD3 LYS A 12 4.635 -1.838 -15.774 1.00 14.50 H new ATOM 0 HE2 LYS A 12 5.577 0.094 -15.060 1.00 1.33 H new ATOM 0 HE3 LYS A 12 7.000 -0.721 -14.441 1.00 1.33 H new ATOM 0 HZ1 LYS A 12 7.559 0.806 -16.198 1.00 42.53 H new ATOM 0 HZ2 LYS A 12 7.903 -0.786 -16.680 1.00 42.53 H new ATOM 0 HZ3 LYS A 12 6.524 0.004 -17.280 1.00 42.53 H new ATOM 197 N ALA A 13 3.692 -7.176 -14.733 1.00 43.23 N ATOM 198 CA ALA A 13 2.766 -7.934 -15.578 1.00 72.35 C ATOM 199 C ALA A 13 1.482 -8.410 -14.873 1.00 23.40 C ATOM 200 O ALA A 13 0.553 -8.829 -15.567 1.00 30.30 O ATOM 201 CB ALA A 13 3.498 -9.118 -16.232 1.00 33.03 C ATOM 0 H ALA A 13 4.573 -7.664 -14.571 1.00 43.23 H new ATOM 0 HA ALA A 13 2.423 -7.233 -16.339 1.00 72.35 H new ATOM 0 HB1 ALA A 13 2.801 -9.675 -16.858 1.00 33.03 H new ATOM 0 HB2 ALA A 13 4.318 -8.745 -16.845 1.00 33.03 H new ATOM 0 HB3 ALA A 13 3.894 -9.774 -15.457 1.00 33.03 H new ATOM 207 N SER A 14 1.402 -8.328 -13.542 1.00 23.14 N ATOM 208 CA SER A 14 0.187 -8.538 -12.747 1.00 42.43 C ATOM 209 C SER A 14 0.058 -7.485 -11.630 1.00 10.14 C ATOM 210 O SER A 14 -0.726 -7.689 -10.707 1.00 23.44 O ATOM 211 CB SER A 14 0.143 -9.956 -12.151 1.00 21.12 C ATOM 212 OG SER A 14 0.702 -10.916 -13.024 1.00 72.34 O ATOM 0 H SER A 14 2.213 -8.105 -12.965 1.00 23.14 H new ATOM 0 HA SER A 14 -0.661 -8.426 -13.423 1.00 42.43 H new ATOM 0 HB2 SER A 14 0.684 -9.968 -11.205 1.00 21.12 H new ATOM 0 HB3 SER A 14 -0.890 -10.225 -11.931 1.00 21.12 H new ATOM 0 HG SER A 14 0.656 -11.802 -12.608 1.00 72.34 H new ATOM 218 N LYS A 15 0.825 -6.389 -11.700 1.00 31.42 N ATOM 219 CA LYS A 15 0.977 -5.317 -10.712 1.00 45.35 C ATOM 220 C LYS A 15 1.129 -5.863 -9.282 1.00 1.54 C ATOM 221 O LYS A 15 0.235 -5.718 -8.448 1.00 32.11 O ATOM 222 CB LYS A 15 -0.037 -4.177 -10.921 1.00 13.41 C ATOM 223 CG LYS A 15 -1.436 -4.623 -11.354 1.00 70.15 C ATOM 224 CD LYS A 15 -2.392 -3.482 -11.673 1.00 11.53 C ATOM 225 CE LYS A 15 -3.293 -3.208 -10.478 1.00 12.10 C ATOM 226 NZ LYS A 15 -4.691 -3.648 -10.654 1.00 34.04 N ATOM 0 H LYS A 15 1.405 -6.217 -12.521 1.00 31.42 H new ATOM 0 HA LYS A 15 1.931 -4.819 -10.884 1.00 45.35 H new ATOM 0 HB2 LYS A 15 -0.124 -3.614 -9.992 1.00 13.41 H new ATOM 0 HB3 LYS A 15 0.358 -3.493 -11.672 1.00 13.41 H new ATOM 0 HG2 LYS A 15 -1.344 -5.260 -12.234 1.00 70.15 H new ATOM 0 HG3 LYS A 15 -1.870 -5.233 -10.562 1.00 70.15 H new ATOM 0 HD2 LYS A 15 -1.828 -2.584 -11.927 1.00 11.53 H new ATOM 0 HD3 LYS A 15 -2.996 -3.736 -12.544 1.00 11.53 H new ATOM 0 HE2 LYS A 15 -2.876 -3.706 -9.602 1.00 12.10 H new ATOM 0 HE3 LYS A 15 -3.285 -2.138 -10.270 1.00 12.10 H new ATOM 0 HZ1 LYS A 15 -5.236 -3.425 -9.797 1.00 34.04 H new ATOM 0 HZ2 LYS A 15 -5.110 -3.155 -11.468 1.00 34.04 H new ATOM 0 HZ3 LYS A 15 -4.714 -4.674 -10.821 1.00 34.04 H new ATOM 240 N THR A 16 2.300 -6.445 -8.997 1.00 54.11 N ATOM 241 CA THR A 16 2.681 -6.979 -7.685 1.00 11.54 C ATOM 242 C THR A 16 4.025 -6.345 -7.285 1.00 22.41 C ATOM 243 O THR A 16 4.919 -6.214 -8.124 1.00 4.14 O ATOM 244 CB THR A 16 2.718 -8.528 -7.720 1.00 12.21 C ATOM 245 OG1 THR A 16 1.609 -9.050 -8.446 1.00 65.21 O ATOM 246 CG2 THR A 16 2.702 -9.188 -6.342 1.00 21.20 C ATOM 0 H THR A 16 3.033 -6.561 -9.697 1.00 54.11 H new ATOM 0 HA THR A 16 1.944 -6.721 -6.925 1.00 11.54 H new ATOM 0 HB THR A 16 3.666 -8.763 -8.204 1.00 12.21 H new ATOM 0 HG1 THR A 16 1.656 -10.029 -8.455 1.00 65.21 H new ATOM 0 HG21 THR A 16 2.730 -10.272 -6.457 1.00 21.20 H new ATOM 0 HG22 THR A 16 3.572 -8.861 -5.772 1.00 21.20 H new ATOM 0 HG23 THR A 16 1.793 -8.903 -5.812 1.00 21.20 H new ATOM 254 N LEU A 17 4.171 -5.853 -6.051 1.00 41.55 N ATOM 255 CA LEU A 17 5.464 -5.567 -5.415 1.00 23.42 C ATOM 256 C LEU A 17 5.915 -6.776 -4.608 1.00 12.10 C ATOM 257 O LEU A 17 5.149 -7.230 -3.765 1.00 2.13 O ATOM 258 CB LEU A 17 5.297 -4.408 -4.416 1.00 72.14 C ATOM 259 CG LEU A 17 6.549 -4.127 -3.538 1.00 64.05 C ATOM 260 CD1 LEU A 17 7.752 -3.678 -4.352 1.00 11.13 C ATOM 261 CD2 LEU A 17 6.210 -3.037 -2.522 1.00 63.32 C ATOM 0 H LEU A 17 3.375 -5.637 -5.451 1.00 41.55 H new ATOM 0 HA LEU A 17 6.186 -5.321 -6.193 1.00 23.42 H new ATOM 0 HB2 LEU A 17 5.046 -3.503 -4.968 1.00 72.14 H new ATOM 0 HB3 LEU A 17 4.453 -4.627 -3.763 1.00 72.14 H new ATOM 0 HG LEU A 17 6.815 -5.063 -3.046 1.00 64.05 H new ATOM 0 HD11 LEU A 17 8.595 -3.497 -3.685 1.00 11.13 H new ATOM 0 HD12 LEU A 17 8.017 -4.455 -5.069 1.00 11.13 H new ATOM 0 HD13 LEU A 17 7.508 -2.760 -4.886 1.00 11.13 H new ATOM 0 HD21 LEU A 17 7.083 -2.834 -1.902 1.00 63.32 H new ATOM 0 HD22 LEU A 17 5.918 -2.128 -3.048 1.00 63.32 H new ATOM 0 HD23 LEU A 17 5.386 -3.371 -1.891 1.00 63.32 H new ATOM 273 N THR A 18 7.170 -7.192 -4.739 1.00 33.42 N ATOM 274 CA THR A 18 7.730 -8.237 -3.897 1.00 25.20 C ATOM 275 C THR A 18 9.041 -7.793 -3.271 1.00 70.04 C ATOM 276 O THR A 18 9.720 -6.926 -3.830 1.00 62.23 O ATOM 277 CB THR A 18 7.797 -9.529 -4.734 1.00 65.03 C ATOM 278 OG1 THR A 18 6.492 -9.874 -5.162 1.00 50.15 O ATOM 279 CG2 THR A 18 8.457 -10.708 -4.023 1.00 1.51 C ATOM 0 H THR A 18 7.822 -6.816 -5.427 1.00 33.42 H new ATOM 0 HA THR A 18 7.097 -8.446 -3.035 1.00 25.20 H new ATOM 0 HB THR A 18 8.440 -9.315 -5.587 1.00 65.03 H new ATOM 0 HG1 THR A 18 6.545 -10.596 -5.823 1.00 50.15 H new ATOM 0 HG21 THR A 18 8.462 -11.575 -4.684 1.00 1.51 H new ATOM 0 HG22 THR A 18 9.482 -10.447 -3.760 1.00 1.51 H new ATOM 0 HG23 THR A 18 7.899 -10.945 -3.117 1.00 1.51 H new ATOM 287 N LEU A 19 9.285 -8.323 -2.058 1.00 44.23 N ATOM 288 CA LEU A 19 10.398 -8.074 -1.142 1.00 44.15 C ATOM 289 C LEU A 19 10.731 -9.366 -0.394 1.00 64.11 C ATOM 290 O LEU A 19 10.113 -10.416 -0.581 1.00 25.04 O ATOM 291 CB LEU A 19 10.111 -7.015 -0.047 1.00 64.14 C ATOM 292 CG LEU A 19 9.726 -5.600 -0.445 1.00 61.45 C ATOM 293 CD1 LEU A 19 8.377 -5.611 -1.008 1.00 54.34 C ATOM 294 CD2 LEU A 19 9.694 -4.642 0.750 1.00 31.13 C ATOM 0 H LEU A 19 8.638 -9.004 -1.661 1.00 44.23 H new ATOM 0 HA LEU A 19 11.206 -7.706 -1.774 1.00 44.15 H new ATOM 0 HB2 LEU A 19 9.310 -7.405 0.580 1.00 64.14 H new ATOM 0 HB3 LEU A 19 11.001 -6.946 0.579 1.00 64.14 H new ATOM 0 HG LEU A 19 10.476 -5.259 -1.159 1.00 61.45 H new ATOM 0 HD11 LEU A 19 8.095 -4.598 -1.296 1.00 54.34 H new ATOM 0 HD12 LEU A 19 8.354 -6.257 -1.885 1.00 54.34 H new ATOM 0 HD13 LEU A 19 7.675 -5.986 -0.263 1.00 54.34 H new ATOM 0 HD21 LEU A 19 9.413 -3.645 0.410 1.00 31.13 H new ATOM 0 HD22 LEU A 19 8.965 -4.995 1.480 1.00 31.13 H new ATOM 0 HD23 LEU A 19 10.681 -4.603 1.212 1.00 31.13 H new ATOM 306 N ARG A 20 11.699 -9.226 0.511 1.00 54.41 N ATOM 307 CA ARG A 20 12.202 -10.282 1.422 1.00 52.33 C ATOM 308 C ARG A 20 12.549 -9.794 2.843 1.00 23.34 C ATOM 309 O ARG A 20 13.725 -9.516 3.106 1.00 64.25 O ATOM 310 CB ARG A 20 13.403 -10.979 0.750 1.00 5.34 C ATOM 311 CG ARG A 20 13.933 -12.191 1.548 1.00 3.32 C ATOM 312 CD ARG A 20 15.425 -12.446 1.270 1.00 70.14 C ATOM 313 NE ARG A 20 16.253 -11.382 1.875 1.00 34.40 N ATOM 314 CZ ARG A 20 17.589 -11.304 1.941 1.00 34.11 C ATOM 315 NH1 ARG A 20 18.369 -12.198 1.345 1.00 22.04 N ATOM 316 NH2 ARG A 20 18.148 -10.307 2.611 1.00 32.03 N ATOM 0 H ARG A 20 12.183 -8.338 0.644 1.00 54.41 H new ATOM 0 HA ARG A 20 11.388 -10.989 1.580 1.00 52.33 H new ATOM 0 HB2 ARG A 20 13.111 -11.309 -0.247 1.00 5.34 H new ATOM 0 HB3 ARG A 20 14.209 -10.256 0.623 1.00 5.34 H new ATOM 0 HG2 ARG A 20 13.786 -12.018 2.614 1.00 3.32 H new ATOM 0 HG3 ARG A 20 13.357 -13.079 1.287 1.00 3.32 H new ATOM 0 HD2 ARG A 20 15.716 -13.416 1.674 1.00 70.14 H new ATOM 0 HD3 ARG A 20 15.599 -12.484 0.195 1.00 70.14 H new ATOM 0 HE ARG A 20 15.741 -10.607 2.297 1.00 34.40 H new ATOM 0 HH11 ARG A 20 17.954 -12.968 0.821 1.00 22.04 H new ATOM 0 HH12 ARG A 20 19.383 -12.115 1.411 1.00 22.04 H new ATOM 0 HH21 ARG A 20 17.562 -9.609 3.070 1.00 32.03 H new ATOM 0 HH22 ARG A 20 19.164 -10.237 2.668 1.00 32.03 H new ATOM 330 N TYR A 21 11.587 -9.625 3.760 1.00 64.23 N ATOM 331 CA TYR A 21 11.822 -9.181 5.138 1.00 42.31 C ATOM 332 C TYR A 21 12.688 -10.200 5.874 1.00 10.33 C ATOM 333 O TYR A 21 12.179 -11.168 6.447 1.00 70.32 O ATOM 334 CB TYR A 21 10.537 -8.915 5.936 1.00 72.12 C ATOM 335 CG TYR A 21 10.719 -8.043 7.186 1.00 12.10 C ATOM 336 CD1 TYR A 21 11.643 -8.349 8.210 1.00 4.44 C ATOM 337 CD2 TYR A 21 9.898 -6.919 7.358 1.00 12.51 C ATOM 338 CE1 TYR A 21 11.738 -7.557 9.370 1.00 75.15 C ATOM 339 CE2 TYR A 21 9.956 -6.137 8.530 1.00 34.33 C ATOM 340 CZ TYR A 21 10.885 -6.448 9.542 1.00 53.13 C ATOM 341 OH TYR A 21 10.976 -5.679 10.662 1.00 42.33 O ATOM 0 H TYR A 21 10.602 -9.797 3.559 1.00 64.23 H new ATOM 0 HA TYR A 21 12.338 -8.224 5.063 1.00 42.31 H new ATOM 0 HB2 TYR A 21 9.812 -8.435 5.279 1.00 72.12 H new ATOM 0 HB3 TYR A 21 10.110 -9.871 6.238 1.00 72.12 H new ATOM 0 HD1 TYR A 21 12.289 -9.207 8.101 1.00 4.44 H new ATOM 0 HD2 TYR A 21 9.206 -6.646 6.575 1.00 12.51 H new ATOM 0 HE1 TYR A 21 12.466 -7.800 10.130 1.00 75.15 H new ATOM 0 HE2 TYR A 21 9.287 -5.298 8.652 1.00 34.33 H new ATOM 0 HH TYR A 21 10.315 -4.957 10.617 1.00 42.33 H new ATOM 351 N GLY A 22 13.997 -9.964 5.914 1.00 53.33 N ATOM 352 CA GLY A 22 14.905 -10.868 6.583 1.00 73.33 C ATOM 353 C GLY A 22 15.031 -12.103 5.715 1.00 3.54 C ATOM 354 O GLY A 22 15.800 -12.110 4.753 1.00 72.45 O ATOM 0 H GLY A 22 14.445 -9.152 5.489 1.00 53.33 H new ATOM 0 HA2 GLY A 22 15.878 -10.399 6.727 1.00 73.33 H new ATOM 0 HA3 GLY A 22 14.528 -11.130 7.572 1.00 73.33 H new ATOM 358 N GLU A 23 14.252 -13.127 6.026 1.00 74.03 N ATOM 359 CA GLU A 23 14.289 -14.404 5.334 1.00 62.41 C ATOM 360 C GLU A 23 12.903 -14.812 4.816 1.00 25.31 C ATOM 361 O GLU A 23 12.764 -15.861 4.181 1.00 3.23 O ATOM 362 CB GLU A 23 15.049 -15.407 6.208 1.00 4.41 C ATOM 363 CG GLU A 23 14.234 -16.332 7.100 1.00 3.42 C ATOM 364 CD GLU A 23 14.812 -17.745 7.011 1.00 64.23 C ATOM 365 OE1 GLU A 23 14.517 -18.416 6.000 1.00 22.44 O ATOM 366 OE2 GLU A 23 15.635 -18.136 7.878 1.00 11.51 O ATOM 0 H GLU A 23 13.565 -13.093 6.779 1.00 74.03 H new ATOM 0 HA GLU A 23 14.856 -14.350 4.405 1.00 62.41 H new ATOM 0 HB2 GLU A 23 15.660 -16.027 5.552 1.00 4.41 H new ATOM 0 HB3 GLU A 23 15.733 -14.846 6.844 1.00 4.41 H new ATOM 0 HG2 GLU A 23 14.259 -15.979 8.131 1.00 3.42 H new ATOM 0 HG3 GLU A 23 13.190 -16.332 6.788 1.00 3.42 H new ATOM 373 N ASP A 24 11.898 -13.973 5.060 1.00 51.15 N ATOM 374 CA ASP A 24 10.508 -14.185 4.642 1.00 2.22 C ATOM 375 C ASP A 24 10.183 -13.278 3.470 1.00 53.54 C ATOM 376 O ASP A 24 10.416 -12.068 3.527 1.00 31.20 O ATOM 377 CB ASP A 24 9.520 -13.842 5.756 1.00 13.31 C ATOM 378 CG ASP A 24 9.415 -14.937 6.802 1.00 14.33 C ATOM 379 OD1 ASP A 24 8.623 -15.881 6.572 1.00 54.24 O ATOM 380 OD2 ASP A 24 10.072 -14.826 7.857 1.00 65.31 O ATOM 0 H ASP A 24 12.030 -13.099 5.570 1.00 51.15 H new ATOM 0 HA ASP A 24 10.413 -15.239 4.379 1.00 2.22 H new ATOM 0 HB2 ASP A 24 9.829 -12.914 6.237 1.00 13.31 H new ATOM 0 HB3 ASP A 24 8.536 -13.664 5.322 1.00 13.31 H new ATOM 385 N SER A 25 9.615 -13.836 2.413 1.00 74.35 N ATOM 386 CA SER A 25 9.165 -13.102 1.253 1.00 65.25 C ATOM 387 C SER A 25 7.737 -12.612 1.470 1.00 65.04 C ATOM 388 O SER A 25 6.954 -13.265 2.169 1.00 11.13 O ATOM 389 CB SER A 25 9.274 -13.970 -0.003 1.00 21.23 C ATOM 390 OG SER A 25 10.217 -15.021 0.116 1.00 3.51 O ATOM 0 H SER A 25 9.452 -14.840 2.342 1.00 74.35 H new ATOM 0 HA SER A 25 9.804 -12.231 1.109 1.00 65.25 H new ATOM 0 HB2 SER A 25 8.295 -14.394 -0.228 1.00 21.23 H new ATOM 0 HB3 SER A 25 9.550 -13.339 -0.848 1.00 21.23 H new ATOM 0 HG SER A 25 10.238 -15.538 -0.716 1.00 3.51 H new ATOM 396 N TYR A 26 7.394 -11.487 0.846 1.00 22.14 N ATOM 397 CA TYR A 26 6.040 -10.963 0.768 1.00 65.35 C ATOM 398 C TYR A 26 5.849 -10.397 -0.628 1.00 43.55 C ATOM 399 O TYR A 26 6.741 -9.695 -1.116 1.00 70.05 O ATOM 400 CB TYR A 26 5.854 -9.877 1.830 1.00 4.30 C ATOM 401 CG TYR A 26 6.012 -10.418 3.236 1.00 73.11 C ATOM 402 CD1 TYR A 26 4.977 -11.179 3.812 1.00 4.53 C ATOM 403 CD2 TYR A 26 7.225 -10.243 3.925 1.00 43.21 C ATOM 404 CE1 TYR A 26 5.141 -11.774 5.068 1.00 24.02 C ATOM 405 CE2 TYR A 26 7.392 -10.825 5.197 1.00 53.23 C ATOM 406 CZ TYR A 26 6.365 -11.624 5.743 1.00 12.23 C ATOM 407 OH TYR A 26 6.549 -12.225 6.945 1.00 73.23 O ATOM 0 H TYR A 26 8.076 -10.899 0.367 1.00 22.14 H new ATOM 0 HA TYR A 26 5.301 -11.743 0.953 1.00 65.35 H new ATOM 0 HB2 TYR A 26 6.581 -9.082 1.665 1.00 4.30 H new ATOM 0 HB3 TYR A 26 4.865 -9.432 1.723 1.00 4.30 H new ATOM 0 HD1 TYR A 26 4.046 -11.305 3.279 1.00 4.53 H new ATOM 0 HD2 TYR A 26 8.023 -9.666 3.482 1.00 43.21 H new ATOM 0 HE1 TYR A 26 4.337 -12.341 5.513 1.00 24.02 H new ATOM 0 HE2 TYR A 26 8.303 -10.660 5.753 1.00 53.23 H new ATOM 0 HH TYR A 26 7.449 -12.023 7.277 1.00 73.23 H new ATOM 417 N ASP A 27 4.695 -10.679 -1.231 1.00 64.11 N ATOM 418 CA ASP A 27 4.349 -10.403 -2.617 1.00 4.22 C ATOM 419 C ASP A 27 3.037 -9.615 -2.597 1.00 70.03 C ATOM 420 O ASP A 27 1.942 -10.150 -2.783 1.00 53.41 O ATOM 421 CB ASP A 27 4.237 -11.718 -3.419 1.00 43.54 C ATOM 422 CG ASP A 27 5.561 -12.415 -3.728 1.00 22.43 C ATOM 423 OD1 ASP A 27 6.248 -12.879 -2.786 1.00 21.04 O ATOM 424 OD2 ASP A 27 5.907 -12.561 -4.932 1.00 21.24 O ATOM 0 H ASP A 27 3.932 -11.135 -0.730 1.00 64.11 H new ATOM 0 HA ASP A 27 5.121 -9.816 -3.115 1.00 4.22 H new ATOM 0 HB2 ASP A 27 3.604 -12.409 -2.863 1.00 43.54 H new ATOM 0 HB3 ASP A 27 3.729 -11.507 -4.360 1.00 43.54 H new ATOM 429 N LEU A 28 3.140 -8.339 -2.240 1.00 32.01 N ATOM 430 CA LEU A 28 2.029 -7.410 -2.098 1.00 12.24 C ATOM 431 C LEU A 28 1.449 -7.057 -3.483 1.00 44.42 C ATOM 432 O LEU A 28 2.212 -6.853 -4.422 1.00 72.03 O ATOM 433 CB LEU A 28 2.564 -6.144 -1.391 1.00 73.11 C ATOM 434 CG LEU A 28 3.197 -6.461 -0.014 1.00 51.33 C ATOM 435 CD1 LEU A 28 4.727 -6.527 -0.069 1.00 51.35 C ATOM 436 CD2 LEU A 28 2.792 -5.430 1.043 1.00 62.25 C ATOM 0 H LEU A 28 4.041 -7.907 -2.033 1.00 32.01 H new ATOM 0 HA LEU A 28 1.228 -7.857 -1.510 1.00 12.24 H new ATOM 0 HB2 LEU A 28 3.307 -5.662 -2.027 1.00 73.11 H new ATOM 0 HB3 LEU A 28 1.748 -5.433 -1.258 1.00 73.11 H new ATOM 0 HG LEU A 28 2.814 -7.444 0.262 1.00 51.33 H new ATOM 0 HD11 LEU A 28 5.117 -6.752 0.923 1.00 51.35 H new ATOM 0 HD12 LEU A 28 5.033 -7.308 -0.765 1.00 51.35 H new ATOM 0 HD13 LEU A 28 5.121 -5.568 -0.405 1.00 51.35 H new ATOM 0 HD21 LEU A 28 3.255 -5.685 1.996 1.00 62.25 H new ATOM 0 HD22 LEU A 28 3.124 -4.440 0.732 1.00 62.25 H new ATOM 0 HD23 LEU A 28 1.708 -5.430 1.155 1.00 62.25 H new ATOM 448 N PRO A 29 0.129 -6.864 -3.644 1.00 21.03 N ATOM 449 CA PRO A 29 -0.458 -6.287 -4.860 1.00 52.21 C ATOM 450 C PRO A 29 0.010 -4.837 -5.124 1.00 24.24 C ATOM 451 O PRO A 29 0.867 -4.303 -4.414 1.00 11.51 O ATOM 452 CB PRO A 29 -1.981 -6.369 -4.671 1.00 12.51 C ATOM 453 CG PRO A 29 -2.243 -7.028 -3.320 1.00 74.25 C ATOM 454 CD PRO A 29 -0.880 -7.297 -2.696 1.00 74.45 C ATOM 0 HA PRO A 29 -0.132 -6.841 -5.740 1.00 52.21 H new ATOM 0 HB2 PRO A 29 -2.425 -5.374 -4.704 1.00 12.51 H new ATOM 0 HB3 PRO A 29 -2.436 -6.948 -5.474 1.00 12.51 H new ATOM 0 HG2 PRO A 29 -2.840 -6.378 -2.681 1.00 74.25 H new ATOM 0 HG3 PRO A 29 -2.803 -7.955 -3.443 1.00 74.25 H new ATOM 0 HD2 PRO A 29 -0.777 -6.758 -1.754 1.00 74.45 H new ATOM 0 HD3 PRO A 29 -0.764 -8.357 -2.471 1.00 74.45 H new ATOM 462 N ALA A 30 -0.603 -4.128 -6.076 1.00 21.32 N ATOM 463 CA ALA A 30 -0.576 -2.664 -6.080 1.00 70.44 C ATOM 464 C ALA A 30 -1.665 -2.119 -5.120 1.00 53.55 C ATOM 465 O ALA A 30 -1.311 -1.377 -4.210 1.00 42.11 O ATOM 466 CB ALA A 30 -0.599 -2.132 -7.517 1.00 4.54 C ATOM 0 H ALA A 30 -1.122 -4.542 -6.850 1.00 21.32 H new ATOM 0 HA ALA A 30 0.361 -2.280 -5.678 1.00 70.44 H new ATOM 0 HB1 ALA A 30 -0.579 -1.042 -7.502 1.00 4.54 H new ATOM 0 HB2 ALA A 30 0.272 -2.504 -8.057 1.00 4.54 H new ATOM 0 HB3 ALA A 30 -1.507 -2.471 -8.016 1.00 4.54 H new ATOM 472 N GLU A 31 -2.958 -2.489 -5.238 1.00 44.13 N ATOM 473 CA GLU A 31 -4.067 -1.874 -4.452 1.00 1.31 C ATOM 474 C GLU A 31 -3.779 -1.729 -2.944 1.00 64.23 C ATOM 475 O GLU A 31 -4.020 -0.667 -2.375 1.00 32.11 O ATOM 476 CB GLU A 31 -5.399 -2.635 -4.661 1.00 54.41 C ATOM 477 CG GLU A 31 -6.496 -2.484 -3.567 1.00 33.30 C ATOM 478 CD GLU A 31 -7.106 -1.081 -3.322 1.00 63.04 C ATOM 479 OE1 GLU A 31 -6.825 -0.130 -4.080 1.00 15.11 O ATOM 480 OE2 GLU A 31 -7.918 -0.945 -2.367 1.00 24.23 O ATOM 0 H GLU A 31 -3.270 -3.220 -5.877 1.00 44.13 H new ATOM 0 HA GLU A 31 -4.154 -0.862 -4.847 1.00 1.31 H new ATOM 0 HB2 GLU A 31 -5.825 -2.311 -5.611 1.00 54.41 H new ATOM 0 HB3 GLU A 31 -5.168 -3.696 -4.760 1.00 54.41 H new ATOM 0 HG2 GLU A 31 -7.312 -3.161 -3.820 1.00 33.30 H new ATOM 0 HG3 GLU A 31 -6.074 -2.832 -2.624 1.00 33.30 H new ATOM 487 N PHE A 32 -3.294 -2.764 -2.249 1.00 71.13 N ATOM 488 CA PHE A 32 -3.074 -2.631 -0.809 1.00 24.04 C ATOM 489 C PHE A 32 -2.031 -1.530 -0.506 1.00 35.12 C ATOM 490 O PHE A 32 -2.154 -0.826 0.495 1.00 24.42 O ATOM 491 CB PHE A 32 -2.799 -4.005 -0.158 1.00 10.22 C ATOM 492 CG PHE A 32 -2.002 -3.941 1.128 1.00 32.44 C ATOM 493 CD1 PHE A 32 -0.606 -3.744 1.133 1.00 35.33 C ATOM 494 CD2 PHE A 32 -2.688 -3.986 2.345 1.00 20.04 C ATOM 495 CE1 PHE A 32 0.077 -3.572 2.350 1.00 12.13 C ATOM 496 CE2 PHE A 32 -2.023 -3.766 3.547 1.00 2.52 C ATOM 497 CZ PHE A 32 -0.634 -3.572 3.559 1.00 53.52 C ATOM 0 H PHE A 32 -3.054 -3.673 -2.645 1.00 71.13 H new ATOM 0 HA PHE A 32 -3.989 -2.281 -0.330 1.00 24.04 H new ATOM 0 HB2 PHE A 32 -3.752 -4.495 0.044 1.00 10.22 H new ATOM 0 HB3 PHE A 32 -2.264 -4.631 -0.872 1.00 10.22 H new ATOM 0 HD1 PHE A 32 -0.061 -3.725 0.201 1.00 35.33 H new ATOM 0 HD2 PHE A 32 -3.748 -4.194 2.352 1.00 20.04 H new ATOM 0 HE1 PHE A 32 1.149 -3.440 2.354 1.00 12.13 H new ATOM 0 HE2 PHE A 32 -2.578 -3.745 4.473 1.00 2.52 H new ATOM 0 HZ PHE A 32 -0.115 -3.423 4.494 1.00 53.52 H new ATOM 507 N LEU A 33 -1.054 -1.303 -1.393 1.00 63.24 N ATOM 508 CA LEU A 33 -0.046 -0.258 -1.221 1.00 43.33 C ATOM 509 C LEU A 33 -0.651 1.141 -1.374 1.00 22.01 C ATOM 510 O LEU A 33 -0.211 2.065 -0.691 1.00 22.31 O ATOM 511 CB LEU A 33 1.154 -0.423 -2.180 1.00 21.23 C ATOM 512 CG LEU A 33 1.881 -1.777 -2.130 1.00 35.23 C ATOM 513 CD1 LEU A 33 2.864 -1.941 -3.282 1.00 72.43 C ATOM 514 CD2 LEU A 33 2.618 -2.043 -0.824 1.00 15.50 C ATOM 0 H LEU A 33 -0.943 -1.842 -2.252 1.00 63.24 H new ATOM 0 HA LEU A 33 0.328 -0.369 -0.203 1.00 43.33 H new ATOM 0 HB2 LEU A 33 0.803 -0.260 -3.199 1.00 21.23 H new ATOM 0 HB3 LEU A 33 1.877 0.363 -1.962 1.00 21.23 H new ATOM 0 HG LEU A 33 1.078 -2.509 -2.214 1.00 35.23 H new ATOM 0 HD11 LEU A 33 3.354 -2.911 -3.206 1.00 72.43 H new ATOM 0 HD12 LEU A 33 2.328 -1.878 -4.229 1.00 72.43 H new ATOM 0 HD13 LEU A 33 3.614 -1.151 -3.236 1.00 72.43 H new ATOM 0 HD21 LEU A 33 3.103 -3.018 -0.872 1.00 15.50 H new ATOM 0 HD22 LEU A 33 3.371 -1.271 -0.667 1.00 15.50 H new ATOM 0 HD23 LEU A 33 1.908 -2.031 0.003 1.00 15.50 H new ATOM 526 N ARG A 34 -1.669 1.308 -2.227 1.00 72.13 N ATOM 527 CA ARG A 34 -2.403 2.568 -2.400 1.00 43.33 C ATOM 528 C ARG A 34 -2.986 3.012 -1.068 1.00 24.20 C ATOM 529 O ARG A 34 -2.799 4.151 -0.653 1.00 51.32 O ATOM 530 CB ARG A 34 -3.506 2.370 -3.456 1.00 13.42 C ATOM 531 CG ARG A 34 -4.507 3.520 -3.605 1.00 12.31 C ATOM 532 CD ARG A 34 -3.890 4.757 -4.252 1.00 34.22 C ATOM 533 NE ARG A 34 -3.329 5.733 -3.314 1.00 23.42 N ATOM 534 CZ ARG A 34 -4.020 6.605 -2.572 1.00 43.31 C ATOM 535 NH1 ARG A 34 -5.318 6.442 -2.308 1.00 43.14 N ATOM 536 NH2 ARG A 34 -3.398 7.674 -2.106 1.00 15.50 N ATOM 0 H ARG A 34 -2.012 0.558 -2.827 1.00 72.13 H new ATOM 0 HA ARG A 34 -1.728 3.350 -2.747 1.00 43.33 H new ATOM 0 HB2 ARG A 34 -3.030 2.201 -4.422 1.00 13.42 H new ATOM 0 HB3 ARG A 34 -4.059 1.463 -3.210 1.00 13.42 H new ATOM 0 HG2 ARG A 34 -5.353 3.185 -4.205 1.00 12.31 H new ATOM 0 HG3 ARG A 34 -4.898 3.785 -2.623 1.00 12.31 H new ATOM 0 HD2 ARG A 34 -3.102 4.437 -4.934 1.00 34.22 H new ATOM 0 HD3 ARG A 34 -4.652 5.251 -4.855 1.00 34.22 H new ATOM 0 HE ARG A 34 -2.314 5.749 -3.218 1.00 23.42 H new ATOM 0 HH11 ARG A 34 -5.815 5.631 -2.676 1.00 43.14 H new ATOM 0 HH12 ARG A 34 -5.813 7.128 -1.738 1.00 43.14 H new ATOM 0 HH21 ARG A 34 -2.410 7.821 -2.314 1.00 15.50 H new ATOM 0 HH22 ARG A 34 -3.906 8.352 -1.538 1.00 15.50 H new ATOM 550 N VAL A 35 -3.732 2.135 -0.404 1.00 20.41 N ATOM 551 CA VAL A 35 -4.518 2.550 0.754 1.00 74.41 C ATOM 552 C VAL A 35 -3.657 2.838 1.990 1.00 34.13 C ATOM 553 O VAL A 35 -4.143 3.474 2.930 1.00 71.12 O ATOM 554 CB VAL A 35 -5.653 1.548 1.016 1.00 64.14 C ATOM 555 CG1 VAL A 35 -6.547 1.481 -0.233 1.00 34.33 C ATOM 556 CG2 VAL A 35 -5.176 0.134 1.375 1.00 15.11 C ATOM 0 H VAL A 35 -3.809 1.146 -0.643 1.00 20.41 H new ATOM 0 HA VAL A 35 -4.981 3.509 0.519 1.00 74.41 H new ATOM 0 HB VAL A 35 -6.197 1.912 1.887 1.00 64.14 H new ATOM 0 HG11 VAL A 35 -7.358 0.773 -0.062 1.00 34.33 H new ATOM 0 HG12 VAL A 35 -6.963 2.468 -0.436 1.00 34.33 H new ATOM 0 HG13 VAL A 35 -5.954 1.155 -1.088 1.00 34.33 H new ATOM 0 HG21 VAL A 35 -6.040 -0.509 1.544 1.00 15.11 H new ATOM 0 HG22 VAL A 35 -4.579 -0.267 0.556 1.00 15.11 H new ATOM 0 HG23 VAL A 35 -4.570 0.173 2.280 1.00 15.11 H new ATOM 566 N HIS A 36 -2.382 2.433 1.967 1.00 72.12 N ATOM 567 CA HIS A 36 -1.397 2.720 3.001 1.00 53.55 C ATOM 568 C HIS A 36 -0.355 3.740 2.499 1.00 73.03 C ATOM 569 O HIS A 36 0.821 3.652 2.838 1.00 73.24 O ATOM 570 CB HIS A 36 -0.853 1.395 3.571 1.00 61.43 C ATOM 571 CG HIS A 36 0.230 0.657 2.827 1.00 52.21 C ATOM 572 ND1 HIS A 36 0.967 1.105 1.760 1.00 33.24 N ATOM 573 CD2 HIS A 36 0.766 -0.537 3.220 1.00 14.11 C ATOM 574 CE1 HIS A 36 1.947 0.228 1.533 1.00 42.13 C ATOM 575 NE2 HIS A 36 1.853 -0.814 2.373 1.00 32.34 N ATOM 0 H HIS A 36 -2.001 1.879 1.200 1.00 72.12 H new ATOM 0 HA HIS A 36 -1.849 3.226 3.854 1.00 53.55 H new ATOM 0 HB2 HIS A 36 -0.479 1.600 4.574 1.00 61.43 H new ATOM 0 HB3 HIS A 36 -1.698 0.714 3.679 1.00 61.43 H new ATOM 0 HD2 HIS A 36 0.418 -1.156 4.034 1.00 14.11 H new ATOM 0 HE1 HIS A 36 2.710 0.341 0.777 1.00 42.13 H new ATOM 0 HE2 HIS A 36 2.450 -1.641 2.393 1.00 32.34 H new ATOM 583 N SER A 37 -0.751 4.653 1.607 1.00 62.33 N ATOM 584 CA SER A 37 0.118 5.626 0.952 1.00 61.02 C ATOM 585 C SER A 37 -0.061 7.005 1.605 1.00 31.42 C ATOM 586 O SER A 37 -0.952 7.761 1.198 1.00 62.44 O ATOM 587 CB SER A 37 -0.134 5.584 -0.561 1.00 3.44 C ATOM 588 OG SER A 37 0.826 6.278 -1.333 1.00 73.01 O ATOM 0 H SER A 37 -1.724 4.735 1.312 1.00 62.33 H new ATOM 0 HA SER A 37 1.171 5.381 1.087 1.00 61.02 H new ATOM 0 HB2 SER A 37 -0.159 4.543 -0.884 1.00 3.44 H new ATOM 0 HB3 SER A 37 -1.119 6.004 -0.765 1.00 3.44 H new ATOM 0 HG SER A 37 1.715 5.903 -1.164 1.00 73.01 H new ATOM 594 N PRO A 38 0.665 7.319 2.697 1.00 72.24 N ATOM 595 CA PRO A 38 0.745 8.666 3.230 1.00 53.54 C ATOM 596 C PRO A 38 1.655 9.514 2.327 1.00 72.11 C ATOM 597 O PRO A 38 2.207 9.025 1.338 1.00 62.35 O ATOM 598 CB PRO A 38 1.320 8.478 4.637 1.00 24.03 C ATOM 599 CG PRO A 38 2.338 7.376 4.420 1.00 24.34 C ATOM 600 CD PRO A 38 1.636 6.485 3.391 1.00 42.32 C ATOM 0 HA PRO A 38 -0.211 9.189 3.268 1.00 53.54 H new ATOM 0 HB2 PRO A 38 1.782 9.391 5.014 1.00 24.03 H new ATOM 0 HB3 PRO A 38 0.553 8.189 5.355 1.00 24.03 H new ATOM 0 HG2 PRO A 38 3.284 7.764 4.044 1.00 24.34 H new ATOM 0 HG3 PRO A 38 2.558 6.838 5.342 1.00 24.34 H new ATOM 0 HD2 PRO A 38 2.356 6.066 2.688 1.00 42.32 H new ATOM 0 HD3 PRO A 38 1.143 5.645 3.881 1.00 42.32 H new ATOM 608 N SER A 39 1.836 10.785 2.676 1.00 20.33 N ATOM 609 CA SER A 39 2.548 11.766 1.884 1.00 61.05 C ATOM 610 C SER A 39 3.772 12.295 2.642 1.00 44.41 C ATOM 611 O SER A 39 3.943 12.025 3.832 1.00 2.24 O ATOM 612 CB SER A 39 1.533 12.856 1.570 1.00 21.40 C ATOM 613 OG SER A 39 0.493 12.314 0.767 1.00 31.21 O ATOM 0 H SER A 39 1.475 11.167 3.550 1.00 20.33 H new ATOM 0 HA SER A 39 2.946 11.342 0.962 1.00 61.05 H new ATOM 0 HB2 SER A 39 1.121 13.262 2.494 1.00 21.40 H new ATOM 0 HB3 SER A 39 2.018 13.681 1.048 1.00 21.40 H new ATOM 0 HG SER A 39 -0.163 13.014 0.565 1.00 31.21 H new ATOM 736 N VAL A 49 -7.575 9.687 7.373 1.00 43.14 N ATOM 737 CA VAL A 49 -8.347 9.823 6.159 1.00 41.45 C ATOM 738 C VAL A 49 -8.277 8.456 5.514 1.00 72.04 C ATOM 739 O VAL A 49 -7.206 7.928 5.197 1.00 11.30 O ATOM 740 CB VAL A 49 -7.775 10.895 5.227 1.00 53.23 C ATOM 741 CG1 VAL A 49 -8.546 10.981 3.903 1.00 14.52 C ATOM 742 CG2 VAL A 49 -7.686 12.290 5.869 1.00 32.22 C ATOM 0 HA VAL A 49 -9.368 10.141 6.368 1.00 41.45 H new ATOM 0 HB VAL A 49 -6.755 10.567 5.024 1.00 53.23 H new ATOM 0 HG11 VAL A 49 -8.105 11.754 3.274 1.00 14.52 H new ATOM 0 HG12 VAL A 49 -8.494 10.022 3.388 1.00 14.52 H new ATOM 0 HG13 VAL A 49 -9.588 11.228 4.104 1.00 14.52 H new ATOM 0 HG21 VAL A 49 -7.272 12.996 5.149 1.00 32.22 H new ATOM 0 HG22 VAL A 49 -8.682 12.618 6.167 1.00 32.22 H new ATOM 0 HG23 VAL A 49 -7.041 12.246 6.747 1.00 32.22 H new ATOM 752 N LEU A 50 -9.450 7.893 5.315 1.00 41.51 N ATOM 753 CA LEU A 50 -9.618 6.598 4.702 1.00 2.43 C ATOM 754 C LEU A 50 -9.560 6.759 3.199 1.00 2.13 C ATOM 755 O LEU A 50 -10.302 7.542 2.597 1.00 14.12 O ATOM 756 CB LEU A 50 -10.946 5.991 5.148 1.00 13.40 C ATOM 757 CG LEU A 50 -11.278 4.680 4.420 1.00 71.41 C ATOM 758 CD1 LEU A 50 -10.219 3.588 4.632 1.00 41.54 C ATOM 759 CD2 LEU A 50 -12.645 4.253 4.929 1.00 40.52 C ATOM 0 H LEU A 50 -10.330 8.334 5.581 1.00 41.51 H new ATOM 0 HA LEU A 50 -8.821 5.922 5.010 1.00 2.43 H new ATOM 0 HB2 LEU A 50 -10.913 5.806 6.222 1.00 13.40 H new ATOM 0 HB3 LEU A 50 -11.746 6.711 4.973 1.00 13.40 H new ATOM 0 HG LEU A 50 -11.285 4.838 3.341 1.00 71.41 H new ATOM 0 HD11 LEU A 50 -10.512 2.687 4.092 1.00 41.54 H new ATOM 0 HD12 LEU A 50 -9.256 3.938 4.259 1.00 41.54 H new ATOM 0 HD13 LEU A 50 -10.136 3.363 5.695 1.00 41.54 H new ATOM 0 HD21 LEU A 50 -12.938 3.321 4.446 1.00 40.52 H new ATOM 0 HD22 LEU A 50 -12.601 4.104 6.008 1.00 40.52 H new ATOM 0 HD23 LEU A 50 -13.377 5.027 4.699 1.00 40.52 H new ATOM 771 N GLN A 51 -8.668 5.988 2.603 1.00 52.32 N ATOM 772 CA GLN A 51 -8.445 5.906 1.185 1.00 23.03 C ATOM 773 C GLN A 51 -9.322 4.764 0.676 1.00 3.14 C ATOM 774 O GLN A 51 -9.098 3.590 0.989 1.00 0.52 O ATOM 775 CB GLN A 51 -6.942 5.684 0.964 1.00 4.34 C ATOM 776 CG GLN A 51 -6.069 6.792 1.593 1.00 11.23 C ATOM 777 CD GLN A 51 -6.105 8.114 0.823 1.00 35.02 C ATOM 778 OE1 GLN A 51 -6.382 8.155 -0.375 1.00 23.01 O ATOM 779 NE2 GLN A 51 -5.812 9.223 1.480 1.00 33.03 N ATOM 0 H GLN A 51 -8.050 5.372 3.131 1.00 52.32 H new ATOM 0 HA GLN A 51 -8.715 6.808 0.635 1.00 23.03 H new ATOM 0 HB2 GLN A 51 -6.657 4.721 1.387 1.00 4.34 H new ATOM 0 HB3 GLN A 51 -6.741 5.635 -0.106 1.00 4.34 H new ATOM 0 HG2 GLN A 51 -6.402 6.968 2.616 1.00 11.23 H new ATOM 0 HG3 GLN A 51 -5.038 6.442 1.649 1.00 11.23 H new ATOM 0 HE21 GLN A 51 -5.583 9.182 2.473 1.00 33.03 H new ATOM 0 HE22 GLN A 51 -5.815 10.120 0.994 1.00 33.03 H new ATOM 788 N TYR A 52 -10.377 5.125 -0.053 1.00 32.42 N ATOM 789 CA TYR A 52 -11.251 4.211 -0.776 1.00 22.13 C ATOM 790 C TYR A 52 -11.195 4.560 -2.263 1.00 33.33 C ATOM 791 O TYR A 52 -10.334 5.338 -2.678 1.00 34.01 O ATOM 792 CB TYR A 52 -12.679 4.261 -0.206 1.00 34.30 C ATOM 793 CG TYR A 52 -13.427 5.576 -0.323 1.00 40.42 C ATOM 794 CD1 TYR A 52 -13.247 6.583 0.646 1.00 51.45 C ATOM 795 CD2 TYR A 52 -14.363 5.767 -1.359 1.00 64.14 C ATOM 796 CE1 TYR A 52 -14.018 7.758 0.594 1.00 71.03 C ATOM 797 CE2 TYR A 52 -15.108 6.953 -1.435 1.00 44.11 C ATOM 798 CZ TYR A 52 -14.948 7.952 -0.451 1.00 1.54 C ATOM 799 OH TYR A 52 -15.668 9.107 -0.512 1.00 72.41 O ATOM 0 H TYR A 52 -10.655 6.101 -0.158 1.00 32.42 H new ATOM 0 HA TYR A 52 -10.913 3.182 -0.653 1.00 22.13 H new ATOM 0 HB2 TYR A 52 -13.269 3.492 -0.704 1.00 34.30 H new ATOM 0 HB3 TYR A 52 -12.631 3.992 0.849 1.00 34.30 H new ATOM 0 HD1 TYR A 52 -12.516 6.452 1.430 1.00 51.45 H new ATOM 0 HD2 TYR A 52 -14.508 4.995 -2.100 1.00 64.14 H new ATOM 0 HE1 TYR A 52 -13.899 8.514 1.356 1.00 71.03 H new ATOM 0 HE2 TYR A 52 -15.804 7.102 -2.247 1.00 44.11 H new ATOM 0 HH TYR A 52 -16.261 9.082 -1.292 1.00 72.41 H new ATOM 809 N GLY A 53 -12.090 3.981 -3.065 1.00 71.41 N ATOM 810 CA GLY A 53 -12.441 4.498 -4.388 1.00 23.01 C ATOM 811 C GLY A 53 -11.303 4.534 -5.412 1.00 42.22 C ATOM 812 O GLY A 53 -11.403 5.301 -6.377 1.00 21.42 O ATOM 0 H GLY A 53 -12.596 3.132 -2.812 1.00 71.41 H new ATOM 0 HA2 GLY A 53 -13.250 3.889 -4.793 1.00 23.01 H new ATOM 0 HA3 GLY A 53 -12.831 5.509 -4.271 1.00 23.01 H new ATOM 816 N LYS A 54 -10.222 3.772 -5.206 1.00 55.23 N ATOM 817 CA LYS A 54 -9.091 3.622 -6.123 1.00 34.01 C ATOM 818 C LYS A 54 -8.811 2.140 -6.378 1.00 51.21 C ATOM 819 O LYS A 54 -7.707 1.826 -6.783 1.00 71.33 O ATOM 820 CB LYS A 54 -7.846 4.402 -5.658 1.00 40.13 C ATOM 821 CG LYS A 54 -7.848 5.911 -5.949 1.00 52.12 C ATOM 822 CD LYS A 54 -8.517 6.742 -4.854 1.00 63.01 C ATOM 823 CE LYS A 54 -8.277 8.245 -5.037 1.00 75.13 C ATOM 824 NZ LYS A 54 -9.272 8.870 -5.930 1.00 63.12 N ATOM 0 H LYS A 54 -10.109 3.219 -4.356 1.00 55.23 H new ATOM 0 HA LYS A 54 -9.364 4.073 -7.077 1.00 34.01 H new ATOM 0 HB2 LYS A 54 -7.733 4.260 -4.583 1.00 40.13 H new ATOM 0 HB3 LYS A 54 -6.968 3.962 -6.132 1.00 40.13 H new ATOM 0 HG2 LYS A 54 -6.820 6.250 -6.074 1.00 52.12 H new ATOM 0 HG3 LYS A 54 -8.360 6.090 -6.894 1.00 52.12 H new ATOM 0 HD2 LYS A 54 -9.589 6.545 -4.855 1.00 63.01 H new ATOM 0 HD3 LYS A 54 -8.136 6.431 -3.881 1.00 63.01 H new ATOM 0 HE2 LYS A 54 -8.307 8.736 -4.064 1.00 75.13 H new ATOM 0 HE3 LYS A 54 -7.278 8.404 -5.443 1.00 75.13 H new ATOM 0 HZ1 LYS A 54 -9.067 9.885 -6.022 1.00 63.12 H new ATOM 0 HZ2 LYS A 54 -9.227 8.422 -6.867 1.00 63.12 H new ATOM 0 HZ3 LYS A 54 -10.224 8.744 -5.531 1.00 63.12 H new ATOM 838 N LEU A 55 -9.766 1.220 -6.211 1.00 63.03 N ATOM 839 CA LEU A 55 -9.551 -0.209 -6.489 1.00 74.23 C ATOM 840 C LEU A 55 -9.009 -0.480 -7.896 1.00 43.11 C ATOM 841 O LEU A 55 -8.344 -1.492 -8.111 1.00 44.11 O ATOM 842 CB LEU A 55 -10.895 -0.916 -6.293 1.00 63.24 C ATOM 843 CG LEU A 55 -10.952 -2.422 -5.972 1.00 70.02 C ATOM 844 CD1 LEU A 55 -11.079 -3.263 -7.227 1.00 14.40 C ATOM 845 CD2 LEU A 55 -9.827 -2.944 -5.068 1.00 51.34 C ATOM 0 H LEU A 55 -10.706 1.440 -5.881 1.00 63.03 H new ATOM 0 HA LEU A 55 -8.790 -0.587 -5.806 1.00 74.23 H new ATOM 0 HB2 LEU A 55 -11.416 -0.397 -5.489 1.00 63.24 H new ATOM 0 HB3 LEU A 55 -11.475 -0.760 -7.202 1.00 63.24 H new ATOM 0 HG LEU A 55 -11.861 -2.531 -5.380 1.00 70.02 H new ATOM 0 HD11 LEU A 55 -11.116 -4.318 -6.956 1.00 14.40 H new ATOM 0 HD12 LEU A 55 -11.993 -2.992 -7.756 1.00 14.40 H new ATOM 0 HD13 LEU A 55 -10.220 -3.084 -7.873 1.00 14.40 H new ATOM 0 HD21 LEU A 55 -9.959 -4.013 -4.903 1.00 51.34 H new ATOM 0 HD22 LEU A 55 -8.864 -2.767 -5.547 1.00 51.34 H new ATOM 0 HD23 LEU A 55 -9.858 -2.423 -4.111 1.00 51.34 H new ATOM 857 N ASN A 56 -9.283 0.409 -8.860 1.00 64.42 N ATOM 858 CA ASN A 56 -8.790 0.282 -10.235 1.00 74.43 C ATOM 859 C ASN A 56 -7.311 0.684 -10.369 1.00 64.35 C ATOM 860 O ASN A 56 -6.755 0.590 -11.467 1.00 14.34 O ATOM 861 CB ASN A 56 -9.605 1.136 -11.227 1.00 61.01 C ATOM 862 CG ASN A 56 -11.107 1.210 -11.006 1.00 45.15 C ATOM 863 OD1 ASN A 56 -11.663 2.306 -11.029 1.00 73.24 O ATOM 864 ND2 ASN A 56 -11.807 0.116 -10.768 1.00 44.35 N ATOM 0 H ASN A 56 -9.855 1.239 -8.706 1.00 64.42 H new ATOM 0 HA ASN A 56 -8.903 -0.775 -10.478 1.00 74.43 H new ATOM 0 HB2 ASN A 56 -9.209 2.151 -11.204 1.00 61.01 H new ATOM 0 HB3 ASN A 56 -9.429 0.748 -12.231 1.00 61.01 H new ATOM 0 HD21 ASN A 56 -12.812 0.179 -10.603 1.00 44.35 H new ATOM 0 HD22 ASN A 56 -11.343 -0.792 -10.749 1.00 44.35 H new ATOM 871 N VAL A 57 -6.658 1.173 -9.313 1.00 14.11 N ATOM 872 CA VAL A 57 -5.267 1.613 -9.341 1.00 75.45 C ATOM 873 C VAL A 57 -4.372 0.477 -9.802 1.00 43.51 C ATOM 874 O VAL A 57 -4.669 -0.701 -9.601 1.00 23.00 O ATOM 875 CB VAL A 57 -4.865 2.183 -7.963 1.00 12.24 C ATOM 876 CG1 VAL A 57 -4.814 1.120 -6.856 1.00 51.55 C ATOM 877 CG2 VAL A 57 -3.549 2.970 -7.998 1.00 0.54 C ATOM 0 H VAL A 57 -7.093 1.275 -8.396 1.00 14.11 H new ATOM 0 HA VAL A 57 -5.144 2.421 -10.062 1.00 75.45 H new ATOM 0 HB VAL A 57 -5.666 2.879 -7.716 1.00 12.24 H new ATOM 0 HG11 VAL A 57 -4.525 1.588 -5.915 1.00 51.55 H new ATOM 0 HG12 VAL A 57 -5.797 0.661 -6.747 1.00 51.55 H new ATOM 0 HG13 VAL A 57 -4.084 0.355 -7.120 1.00 51.55 H new ATOM 0 HG21 VAL A 57 -3.322 3.344 -7.000 1.00 0.54 H new ATOM 0 HG22 VAL A 57 -2.743 2.317 -8.333 1.00 0.54 H new ATOM 0 HG23 VAL A 57 -3.645 3.809 -8.687 1.00 0.54 H new ATOM 887 N GLY A 58 -3.245 0.843 -10.396 1.00 50.42 N ATOM 888 CA GLY A 58 -2.142 -0.031 -10.663 1.00 72.23 C ATOM 889 C GLY A 58 -0.839 0.722 -10.511 1.00 34.04 C ATOM 890 O GLY A 58 -0.809 1.909 -10.180 1.00 15.50 O ATOM 0 H GLY A 58 -3.081 1.799 -10.713 1.00 50.42 H new ATOM 0 HA2 GLY A 58 -2.164 -0.878 -9.978 1.00 72.23 H new ATOM 0 HA3 GLY A 58 -2.223 -0.435 -11.672 1.00 72.23 H new ATOM 894 N LEU A 59 0.245 -0.017 -10.685 1.00 3.40 N ATOM 895 CA LEU A 59 1.586 0.509 -10.589 1.00 33.01 C ATOM 896 C LEU A 59 1.951 1.098 -11.948 1.00 44.23 C ATOM 897 O LEU A 59 1.495 0.604 -12.985 1.00 23.12 O ATOM 898 CB LEU A 59 2.510 -0.659 -10.206 1.00 25.11 C ATOM 899 CG LEU A 59 3.513 -0.406 -9.084 1.00 31.03 C ATOM 900 CD1 LEU A 59 4.514 0.678 -9.475 1.00 2.24 C ATOM 901 CD2 LEU A 59 2.823 -0.057 -7.776 1.00 63.22 C ATOM 0 H LEU A 59 0.211 -1.014 -10.900 1.00 3.40 H new ATOM 0 HA LEU A 59 1.680 1.292 -9.837 1.00 33.01 H new ATOM 0 HB2 LEU A 59 1.886 -1.505 -9.919 1.00 25.11 H new ATOM 0 HB3 LEU A 59 3.064 -0.959 -11.095 1.00 25.11 H new ATOM 0 HG LEU A 59 4.060 -1.336 -8.927 1.00 31.03 H new ATOM 0 HD11 LEU A 59 5.216 0.837 -8.657 1.00 2.24 H new ATOM 0 HD12 LEU A 59 5.059 0.366 -10.366 1.00 2.24 H new ATOM 0 HD13 LEU A 59 3.982 1.607 -9.682 1.00 2.24 H new ATOM 0 HD21 LEU A 59 3.573 0.115 -7.004 1.00 63.22 H new ATOM 0 HD22 LEU A 59 2.225 0.845 -7.909 1.00 63.22 H new ATOM 0 HD23 LEU A 59 2.175 -0.880 -7.475 1.00 63.22 H new ATOM 913 N VAL A 60 2.813 2.110 -11.949 1.00 23.02 N ATOM 914 CA VAL A 60 3.286 2.793 -13.151 1.00 10.43 C ATOM 915 C VAL A 60 4.809 2.867 -13.217 1.00 72.02 C ATOM 916 O VAL A 60 5.402 2.831 -14.303 1.00 45.43 O ATOM 917 CB VAL A 60 2.641 4.184 -13.267 1.00 13.30 C ATOM 918 CG1 VAL A 60 1.317 4.071 -14.029 1.00 64.15 C ATOM 919 CG2 VAL A 60 2.370 4.872 -11.928 1.00 13.13 C ATOM 0 H VAL A 60 3.213 2.489 -11.091 1.00 23.02 H new ATOM 0 HA VAL A 60 2.975 2.200 -14.011 1.00 10.43 H new ATOM 0 HB VAL A 60 3.367 4.801 -13.796 1.00 13.30 H new ATOM 0 HG11 VAL A 60 0.859 5.057 -14.111 1.00 64.15 H new ATOM 0 HG12 VAL A 60 1.504 3.673 -15.026 1.00 64.15 H new ATOM 0 HG13 VAL A 60 0.644 3.402 -13.492 1.00 64.15 H new ATOM 0 HG21 VAL A 60 1.915 5.846 -12.105 1.00 13.13 H new ATOM 0 HG22 VAL A 60 1.693 4.258 -11.334 1.00 13.13 H new ATOM 0 HG23 VAL A 60 3.309 5.002 -11.389 1.00 13.13 H new ATOM 929 N GLY A 61 5.454 2.924 -12.061 1.00 75.15 N ATOM 930 CA GLY A 61 6.899 2.929 -11.944 1.00 34.04 C ATOM 931 C GLY A 61 7.284 3.075 -10.486 1.00 24.12 C ATOM 932 O GLY A 61 6.435 3.347 -9.643 1.00 21.30 O ATOM 0 H GLY A 61 4.975 2.969 -11.162 1.00 75.15 H new ATOM 0 HA2 GLY A 61 7.311 2.005 -12.350 1.00 34.04 H new ATOM 0 HA3 GLY A 61 7.319 3.749 -12.527 1.00 34.04 H new ATOM 936 N VAL A 62 8.554 2.844 -10.183 1.00 53.44 N ATOM 937 CA VAL A 62 9.084 2.773 -8.839 1.00 20.12 C ATOM 938 C VAL A 62 10.600 2.607 -8.955 1.00 64.32 C ATOM 939 O VAL A 62 11.057 1.885 -9.852 1.00 2.12 O ATOM 940 CB VAL A 62 8.376 1.621 -8.107 1.00 62.22 C ATOM 941 CG1 VAL A 62 8.378 0.296 -8.869 1.00 43.14 C ATOM 942 CG2 VAL A 62 8.904 1.445 -6.698 1.00 63.42 C ATOM 0 H VAL A 62 9.266 2.696 -10.898 1.00 53.44 H new ATOM 0 HA VAL A 62 8.901 3.672 -8.251 1.00 20.12 H new ATOM 0 HB VAL A 62 7.330 1.923 -8.050 1.00 62.22 H new ATOM 0 HG11 VAL A 62 7.859 -0.462 -8.282 1.00 43.14 H new ATOM 0 HG12 VAL A 62 7.871 0.425 -9.825 1.00 43.14 H new ATOM 0 HG13 VAL A 62 9.406 -0.022 -9.044 1.00 43.14 H new ATOM 0 HG21 VAL A 62 8.379 0.622 -6.213 1.00 63.42 H new ATOM 0 HG22 VAL A 62 9.971 1.224 -6.734 1.00 63.42 H new ATOM 0 HG23 VAL A 62 8.742 2.362 -6.132 1.00 63.42 H new ATOM 952 N GLU A 63 11.370 3.275 -8.088 1.00 15.50 N ATOM 953 CA GLU A 63 12.834 3.270 -8.065 1.00 11.23 C ATOM 954 C GLU A 63 13.360 3.625 -6.666 1.00 14.53 C ATOM 955 O GLU A 63 12.638 4.235 -5.870 1.00 11.54 O ATOM 956 CB GLU A 63 13.378 4.293 -9.087 1.00 40.12 C ATOM 957 CG GLU A 63 13.304 3.706 -10.497 1.00 3.12 C ATOM 958 CD GLU A 63 14.395 4.202 -11.430 1.00 40.43 C ATOM 959 OE1 GLU A 63 15.517 3.640 -11.366 1.00 75.24 O ATOM 960 OE2 GLU A 63 14.085 5.082 -12.262 1.00 20.13 O ATOM 0 H GLU A 63 10.971 3.858 -7.353 1.00 15.50 H new ATOM 0 HA GLU A 63 13.175 2.268 -8.326 1.00 11.23 H new ATOM 0 HB2 GLU A 63 12.799 5.215 -9.036 1.00 40.12 H new ATOM 0 HB3 GLU A 63 14.409 4.551 -8.844 1.00 40.12 H new ATOM 0 HG2 GLU A 63 13.363 2.620 -10.431 1.00 3.12 H new ATOM 0 HG3 GLU A 63 12.333 3.947 -10.929 1.00 3.12 H new ATOM 967 N PRO A 64 14.627 3.305 -6.352 1.00 72.24 N ATOM 968 CA PRO A 64 15.249 3.706 -5.102 1.00 53.21 C ATOM 969 C PRO A 64 15.400 5.229 -5.079 1.00 62.12 C ATOM 970 O PRO A 64 16.037 5.815 -5.965 1.00 41.31 O ATOM 971 CB PRO A 64 16.601 2.986 -5.069 1.00 23.24 C ATOM 972 CG PRO A 64 16.955 2.838 -6.544 1.00 52.11 C ATOM 973 CD PRO A 64 15.596 2.613 -7.196 1.00 53.45 C ATOM 0 HA PRO A 64 14.660 3.441 -4.224 1.00 53.21 H new ATOM 0 HB2 PRO A 64 17.352 3.565 -4.531 1.00 23.24 H new ATOM 0 HB3 PRO A 64 16.529 2.018 -4.573 1.00 23.24 H new ATOM 0 HG2 PRO A 64 17.448 3.729 -6.933 1.00 52.11 H new ATOM 0 HG3 PRO A 64 17.630 2.000 -6.716 1.00 52.11 H new ATOM 0 HD2 PRO A 64 15.580 3.007 -8.212 1.00 53.45 H new ATOM 0 HD3 PRO A 64 15.366 1.550 -7.263 1.00 53.45 H new ATOM 981 N ALA A 65 14.843 5.879 -4.049 1.00 72.21 N ATOM 982 CA ALA A 65 15.278 7.230 -3.720 1.00 1.33 C ATOM 983 C ALA A 65 16.684 7.172 -3.090 1.00 4.31 C ATOM 984 O ALA A 65 17.357 6.142 -3.173 1.00 32.41 O ATOM 985 CB ALA A 65 14.238 7.969 -2.874 1.00 71.34 C ATOM 0 H ALA A 65 14.111 5.500 -3.448 1.00 72.21 H new ATOM 0 HA ALA A 65 15.360 7.826 -4.629 1.00 1.33 H new ATOM 0 HB1 ALA A 65 14.599 8.973 -2.649 1.00 71.34 H new ATOM 0 HB2 ALA A 65 13.301 8.035 -3.426 1.00 71.34 H new ATOM 0 HB3 ALA A 65 14.073 7.426 -1.944 1.00 71.34 H new ATOM 991 N GLY A 66 17.154 8.286 -2.517 1.00 61.14 N ATOM 992 CA GLY A 66 18.530 8.515 -2.071 1.00 53.35 C ATOM 993 C GLY A 66 19.150 7.355 -1.304 1.00 55.53 C ATOM 994 O GLY A 66 19.805 6.511 -1.913 1.00 32.11 O ATOM 0 H GLY A 66 16.553 9.092 -2.344 1.00 61.14 H new ATOM 0 HA2 GLY A 66 19.149 8.730 -2.942 1.00 53.35 H new ATOM 0 HA3 GLY A 66 18.550 9.403 -1.439 1.00 53.35 H new ATOM 998 N GLN A 67 19.009 7.357 0.024 1.00 40.45 N ATOM 999 CA GLN A 67 19.654 6.385 0.908 1.00 21.24 C ATOM 1000 C GLN A 67 18.725 5.972 2.069 1.00 41.42 C ATOM 1001 O GLN A 67 19.092 5.129 2.890 1.00 53.13 O ATOM 1002 CB GLN A 67 21.013 6.944 1.402 1.00 61.33 C ATOM 1003 CG GLN A 67 21.927 7.383 0.238 1.00 41.44 C ATOM 1004 CD GLN A 67 23.341 7.777 0.647 1.00 44.15 C ATOM 1005 OE1 GLN A 67 24.300 7.028 0.481 1.00 20.12 O ATOM 1006 NE2 GLN A 67 23.525 9.008 1.095 1.00 2.30 N ATOM 0 H GLN A 67 18.438 8.041 0.520 1.00 40.45 H new ATOM 0 HA GLN A 67 19.854 5.473 0.345 1.00 21.24 H new ATOM 0 HB2 GLN A 67 20.835 7.794 2.061 1.00 61.33 H new ATOM 0 HB3 GLN A 67 21.522 6.183 1.993 1.00 61.33 H new ATOM 0 HG2 GLN A 67 21.987 6.569 -0.485 1.00 41.44 H new ATOM 0 HG3 GLN A 67 21.463 8.228 -0.271 1.00 41.44 H new ATOM 0 HE21 GLN A 67 22.725 9.626 1.231 1.00 2.30 H new ATOM 0 HE22 GLN A 67 24.467 9.339 1.304 1.00 2.30 H new ATOM 1015 N TYR A 68 17.528 6.566 2.157 1.00 13.12 N ATOM 1016 CA TYR A 68 16.595 6.445 3.276 1.00 22.42 C ATOM 1017 C TYR A 68 15.134 6.309 2.830 1.00 42.32 C ATOM 1018 O TYR A 68 14.252 6.303 3.687 1.00 31.43 O ATOM 1019 CB TYR A 68 16.785 7.600 4.270 1.00 73.33 C ATOM 1020 CG TYR A 68 16.998 8.970 3.657 1.00 20.23 C ATOM 1021 CD1 TYR A 68 18.277 9.304 3.185 1.00 20.01 C ATOM 1022 CD2 TYR A 68 15.949 9.903 3.555 1.00 74.35 C ATOM 1023 CE1 TYR A 68 18.532 10.569 2.648 1.00 75.03 C ATOM 1024 CE2 TYR A 68 16.192 11.182 3.016 1.00 64.24 C ATOM 1025 CZ TYR A 68 17.498 11.529 2.586 1.00 31.22 C ATOM 1026 OH TYR A 68 17.798 12.785 2.155 1.00 34.21 O ATOM 0 H TYR A 68 17.171 7.170 1.416 1.00 13.12 H new ATOM 0 HA TYR A 68 16.833 5.512 3.787 1.00 22.42 H new ATOM 0 HB2 TYR A 68 15.909 7.645 4.918 1.00 73.33 H new ATOM 0 HB3 TYR A 68 17.640 7.370 4.906 1.00 73.33 H new ATOM 0 HD1 TYR A 68 19.073 8.576 3.237 1.00 20.01 H new ATOM 0 HD2 TYR A 68 14.957 9.638 3.890 1.00 74.35 H new ATOM 0 HE1 TYR A 68 19.518 10.812 2.281 1.00 75.03 H new ATOM 0 HE2 TYR A 68 15.386 11.896 2.931 1.00 64.24 H new ATOM 0 HH TYR A 68 16.988 13.336 2.164 1.00 34.21 H new ATOM 1036 N ALA A 69 14.841 6.236 1.526 1.00 31.20 N ATOM 1037 CA ALA A 69 13.476 6.176 1.021 1.00 53.51 C ATOM 1038 C ALA A 69 13.369 5.487 -0.342 1.00 41.25 C ATOM 1039 O ALA A 69 14.365 5.199 -1.011 1.00 1.11 O ATOM 1040 CB ALA A 69 12.917 7.608 0.961 1.00 12.53 C ATOM 0 H ALA A 69 15.551 6.217 0.794 1.00 31.20 H new ATOM 0 HA ALA A 69 12.886 5.564 1.703 1.00 53.51 H new ATOM 0 HB1 ALA A 69 11.894 7.584 0.585 1.00 12.53 H new ATOM 0 HB2 ALA A 69 12.926 8.044 1.960 1.00 12.53 H new ATOM 0 HB3 ALA A 69 13.534 8.212 0.296 1.00 12.53 H new ATOM 1046 N LEU A 70 12.129 5.311 -0.802 1.00 41.54 N ATOM 1047 CA LEU A 70 11.776 4.742 -2.096 1.00 74.23 C ATOM 1048 C LEU A 70 10.869 5.742 -2.825 1.00 34.04 C ATOM 1049 O LEU A 70 9.965 6.309 -2.205 1.00 72.31 O ATOM 1050 CB LEU A 70 11.121 3.366 -1.855 1.00 0.51 C ATOM 1051 CG LEU A 70 11.425 2.354 -2.969 1.00 35.04 C ATOM 1052 CD1 LEU A 70 11.111 0.922 -2.539 1.00 32.21 C ATOM 1053 CD2 LEU A 70 10.579 2.605 -4.201 1.00 44.22 C ATOM 0 H LEU A 70 11.309 5.574 -0.255 1.00 41.54 H new ATOM 0 HA LEU A 70 12.643 4.573 -2.734 1.00 74.23 H new ATOM 0 HB2 LEU A 70 11.469 2.966 -0.903 1.00 0.51 H new ATOM 0 HB3 LEU A 70 10.042 3.493 -1.772 1.00 0.51 H new ATOM 0 HG LEU A 70 12.487 2.478 -3.183 1.00 35.04 H new ATOM 0 HD11 LEU A 70 11.340 0.238 -3.356 1.00 32.21 H new ATOM 0 HD12 LEU A 70 11.714 0.663 -1.669 1.00 32.21 H new ATOM 0 HD13 LEU A 70 10.054 0.842 -2.285 1.00 32.21 H new ATOM 0 HD21 LEU A 70 10.823 1.868 -4.966 1.00 44.22 H new ATOM 0 HD22 LEU A 70 9.524 2.522 -3.941 1.00 44.22 H new ATOM 0 HD23 LEU A 70 10.780 3.606 -4.583 1.00 44.22 H new ATOM 1065 N LYS A 71 11.155 5.999 -4.107 1.00 33.43 N ATOM 1066 CA LYS A 71 10.406 6.853 -5.028 1.00 41.43 C ATOM 1067 C LYS A 71 9.290 6.009 -5.661 1.00 1.10 C ATOM 1068 O LYS A 71 9.470 5.458 -6.753 1.00 75.21 O ATOM 1069 CB LYS A 71 11.401 7.378 -6.088 1.00 61.15 C ATOM 1070 CG LYS A 71 10.818 8.404 -7.075 1.00 73.42 C ATOM 1071 CD LYS A 71 11.630 8.410 -8.382 1.00 74.22 C ATOM 1072 CE LYS A 71 11.296 9.648 -9.216 1.00 15.53 C ATOM 1073 NZ LYS A 71 11.674 9.516 -10.642 1.00 21.10 N ATOM 0 H LYS A 71 11.972 5.586 -4.556 1.00 33.43 H new ATOM 0 HA LYS A 71 9.946 7.704 -4.526 1.00 41.43 H new ATOM 0 HB2 LYS A 71 12.249 7.831 -5.575 1.00 61.15 H new ATOM 0 HB3 LYS A 71 11.786 6.530 -6.654 1.00 61.15 H new ATOM 0 HG2 LYS A 71 9.776 8.163 -7.287 1.00 73.42 H new ATOM 0 HG3 LYS A 71 10.830 9.397 -6.627 1.00 73.42 H new ATOM 0 HD2 LYS A 71 12.696 8.394 -8.155 1.00 74.22 H new ATOM 0 HD3 LYS A 71 11.413 7.509 -8.956 1.00 74.22 H new ATOM 0 HE2 LYS A 71 10.226 9.845 -9.148 1.00 15.53 H new ATOM 0 HE3 LYS A 71 11.807 10.512 -8.791 1.00 15.53 H new ATOM 0 HZ1 LYS A 71 11.421 10.387 -11.150 1.00 21.10 H new ATOM 0 HZ2 LYS A 71 12.699 9.357 -10.716 1.00 21.10 H new ATOM 0 HZ3 LYS A 71 11.168 8.711 -11.062 1.00 21.10 H new ATOM 1087 N LEU A 72 8.169 5.831 -4.963 1.00 31.02 N ATOM 1088 CA LEU A 72 7.044 5.033 -5.445 1.00 3.53 C ATOM 1089 C LEU A 72 6.252 5.840 -6.495 1.00 43.15 C ATOM 1090 O LEU A 72 6.265 7.072 -6.441 1.00 22.03 O ATOM 1091 CB LEU A 72 6.185 4.652 -4.217 1.00 74.03 C ATOM 1092 CG LEU A 72 5.444 3.341 -4.393 1.00 33.44 C ATOM 1093 CD1 LEU A 72 6.254 2.069 -4.614 1.00 35.43 C ATOM 1094 CD2 LEU A 72 4.556 3.073 -3.176 1.00 43.15 C ATOM 0 H LEU A 72 8.016 6.240 -4.041 1.00 31.02 H new ATOM 0 HA LEU A 72 7.376 4.119 -5.938 1.00 3.53 H new ATOM 0 HB2 LEU A 72 6.827 4.584 -3.339 1.00 74.03 H new ATOM 0 HB3 LEU A 72 5.464 5.447 -4.025 1.00 74.03 H new ATOM 0 HG LEU A 72 4.909 3.518 -5.326 1.00 33.44 H new ATOM 0 HD11 LEU A 72 5.578 1.221 -4.721 1.00 35.43 H new ATOM 0 HD12 LEU A 72 6.853 2.172 -5.519 1.00 35.43 H new ATOM 0 HD13 LEU A 72 6.911 1.903 -3.760 1.00 35.43 H new ATOM 0 HD21 LEU A 72 4.028 2.129 -3.312 1.00 43.15 H new ATOM 0 HD22 LEU A 72 5.174 3.017 -2.280 1.00 43.15 H new ATOM 0 HD23 LEU A 72 3.833 3.881 -3.068 1.00 43.15 H new ATOM 1106 N SER A 73 5.523 5.206 -7.430 1.00 21.34 N ATOM 1107 CA SER A 73 4.612 5.906 -8.341 1.00 63.34 C ATOM 1108 C SER A 73 3.382 5.037 -8.600 1.00 55.45 C ATOM 1109 O SER A 73 3.522 3.853 -8.906 1.00 32.00 O ATOM 1110 CB SER A 73 5.303 6.236 -9.672 1.00 32.44 C ATOM 1111 OG SER A 73 6.559 6.878 -9.493 1.00 24.24 O ATOM 0 H SER A 73 5.551 4.196 -7.572 1.00 21.34 H new ATOM 0 HA SER A 73 4.312 6.843 -7.873 1.00 63.34 H new ATOM 0 HB2 SER A 73 5.447 5.317 -10.240 1.00 32.44 H new ATOM 0 HB3 SER A 73 4.652 6.878 -10.265 1.00 32.44 H new ATOM 0 HG SER A 73 6.958 7.065 -10.368 1.00 24.24 H new ATOM 1117 N PHE A 74 2.175 5.583 -8.454 1.00 42.31 N ATOM 1118 CA PHE A 74 0.927 4.831 -8.545 1.00 0.31 C ATOM 1119 C PHE A 74 -0.016 5.609 -9.438 1.00 35.41 C ATOM 1120 O PHE A 74 -0.141 6.823 -9.302 1.00 74.33 O ATOM 1121 CB PHE A 74 0.273 4.638 -7.162 1.00 62.33 C ATOM 1122 CG PHE A 74 0.745 3.421 -6.397 1.00 75.33 C ATOM 1123 CD1 PHE A 74 2.105 3.306 -6.073 1.00 15.14 C ATOM 1124 CD2 PHE A 74 -0.140 2.378 -6.041 1.00 0.10 C ATOM 1125 CE1 PHE A 74 2.582 2.125 -5.504 1.00 31.24 C ATOM 1126 CE2 PHE A 74 0.344 1.255 -5.364 1.00 2.12 C ATOM 1127 CZ PHE A 74 1.712 1.108 -5.137 1.00 13.23 C ATOM 0 H PHE A 74 2.036 6.576 -8.266 1.00 42.31 H new ATOM 0 HA PHE A 74 1.137 3.841 -8.950 1.00 0.31 H new ATOM 0 HB2 PHE A 74 0.465 5.525 -6.559 1.00 62.33 H new ATOM 0 HB3 PHE A 74 -0.807 4.570 -7.294 1.00 62.33 H new ATOM 0 HD1 PHE A 74 2.779 4.128 -6.263 1.00 15.14 H new ATOM 0 HD2 PHE A 74 -1.188 2.449 -6.292 1.00 0.10 H new ATOM 0 HE1 PHE A 74 3.643 2.000 -5.347 1.00 31.24 H new ATOM 0 HE2 PHE A 74 -0.344 0.499 -5.016 1.00 2.12 H new ATOM 0 HZ PHE A 74 2.092 0.207 -4.678 1.00 13.23 H new ATOM 1137 N ASP A 75 -0.758 4.864 -10.256 1.00 12.52 N ATOM 1138 CA ASP A 75 -1.803 5.340 -11.178 1.00 51.54 C ATOM 1139 C ASP A 75 -2.960 6.102 -10.490 1.00 22.12 C ATOM 1140 O ASP A 75 -3.925 6.513 -11.132 1.00 51.53 O ATOM 1141 CB ASP A 75 -2.311 4.118 -11.948 1.00 24.42 C ATOM 1142 CG ASP A 75 -3.387 4.410 -12.994 1.00 34.22 C ATOM 1143 OD1 ASP A 75 -3.051 4.989 -14.055 1.00 40.14 O ATOM 1144 OD2 ASP A 75 -4.531 3.909 -12.850 1.00 15.14 O ATOM 0 H ASP A 75 -0.644 3.851 -10.300 1.00 12.52 H new ATOM 0 HA ASP A 75 -1.367 6.081 -11.848 1.00 51.54 H new ATOM 0 HB2 ASP A 75 -1.464 3.643 -12.444 1.00 24.42 H new ATOM 0 HB3 ASP A 75 -2.708 3.397 -11.233 1.00 24.42 H new ATOM 1149 N ASP A 76 -2.891 6.296 -9.170 1.00 21.40 N ATOM 1150 CA ASP A 76 -3.720 7.252 -8.435 1.00 40.51 C ATOM 1151 C ASP A 76 -3.342 8.706 -8.748 1.00 72.23 C ATOM 1152 O ASP A 76 -4.141 9.608 -8.488 1.00 34.21 O ATOM 1153 CB ASP A 76 -3.677 6.976 -6.926 1.00 35.20 C ATOM 1154 CG ASP A 76 -2.467 7.558 -6.186 1.00 73.22 C ATOM 1155 OD1 ASP A 76 -2.400 8.789 -5.973 1.00 54.21 O ATOM 1156 OD2 ASP A 76 -1.625 6.758 -5.732 1.00 34.21 O ATOM 0 H ASP A 76 -2.244 5.782 -8.572 1.00 21.40 H new ATOM 0 HA ASP A 76 -4.747 7.112 -8.773 1.00 40.51 H new ATOM 0 HB2 ASP A 76 -4.585 7.376 -6.474 1.00 35.20 H new ATOM 0 HB3 ASP A 76 -3.692 5.897 -6.770 1.00 35.20 H new ATOM 1161 N GLY A 77 -2.163 8.956 -9.323 1.00 75.03 N ATOM 1162 CA GLY A 77 -1.813 10.243 -9.899 1.00 40.13 C ATOM 1163 C GLY A 77 -1.433 11.309 -8.880 1.00 11.33 C ATOM 1164 O GLY A 77 -1.274 12.475 -9.245 1.00 62.03 O ATOM 0 H GLY A 77 -1.422 8.259 -9.399 1.00 75.03 H new ATOM 0 HA2 GLY A 77 -0.980 10.104 -10.588 1.00 40.13 H new ATOM 0 HA3 GLY A 77 -2.656 10.605 -10.487 1.00 40.13 H new ATOM 1168 N HIS A 78 -1.292 10.948 -7.607 1.00 41.22 N ATOM 1169 CA HIS A 78 -0.635 11.763 -6.592 1.00 24.21 C ATOM 1170 C HIS A 78 0.639 11.086 -6.079 1.00 1.33 C ATOM 1171 O HIS A 78 1.461 11.756 -5.454 1.00 74.21 O ATOM 1172 CB HIS A 78 -1.631 12.099 -5.476 1.00 75.05 C ATOM 1173 CG HIS A 78 -1.076 12.958 -4.374 1.00 34.20 C ATOM 1174 ND1 HIS A 78 -1.102 12.655 -3.031 1.00 52.43 N ATOM 1175 CD2 HIS A 78 -0.448 14.164 -4.519 1.00 31.01 C ATOM 1176 CE1 HIS A 78 -0.519 13.668 -2.372 1.00 4.54 C ATOM 1177 NE2 HIS A 78 -0.097 14.598 -3.240 1.00 44.51 N ATOM 0 H HIS A 78 -1.640 10.060 -7.246 1.00 41.22 H new ATOM 0 HA HIS A 78 -0.312 12.705 -7.034 1.00 24.21 H new ATOM 0 HB2 HIS A 78 -2.490 12.606 -5.915 1.00 75.05 H new ATOM 0 HB3 HIS A 78 -1.997 11.168 -5.043 1.00 75.05 H new ATOM 0 HD2 HIS A 78 -0.259 14.682 -5.447 1.00 31.01 H new ATOM 0 HE1 HIS A 78 -0.406 13.726 -1.299 1.00 4.54 H new ATOM 0 HE2 HIS A 78 0.391 15.463 -3.008 1.00 44.51 H new ATOM 1185 N ASP A 79 0.854 9.807 -6.409 1.00 15.13 N ATOM 1186 CA ASP A 79 2.052 9.034 -6.060 1.00 55.51 C ATOM 1187 C ASP A 79 2.313 9.098 -4.539 1.00 14.44 C ATOM 1188 O ASP A 79 1.405 9.395 -3.748 1.00 20.24 O ATOM 1189 CB ASP A 79 3.274 9.503 -6.893 1.00 15.14 C ATOM 1190 CG ASP A 79 3.090 9.466 -8.411 1.00 1.32 C ATOM 1191 OD1 ASP A 79 2.759 8.392 -8.964 1.00 41.42 O ATOM 1192 OD2 ASP A 79 3.375 10.493 -9.070 1.00 61.44 O ATOM 0 H ASP A 79 0.177 9.264 -6.944 1.00 15.13 H new ATOM 0 HA ASP A 79 1.883 7.987 -6.313 1.00 55.51 H new ATOM 0 HB2 ASP A 79 3.522 10.523 -6.599 1.00 15.14 H new ATOM 0 HB3 ASP A 79 4.130 8.880 -6.633 1.00 15.14 H new ATOM 1197 N SER A 80 3.538 8.797 -4.102 1.00 40.42 N ATOM 1198 CA SER A 80 4.120 9.393 -2.910 1.00 43.52 C ATOM 1199 C SER A 80 5.634 9.336 -3.091 1.00 35.30 C ATOM 1200 O SER A 80 6.196 8.251 -3.270 1.00 54.41 O ATOM 1201 CB SER A 80 3.676 8.685 -1.630 1.00 24.04 C ATOM 1202 OG SER A 80 3.996 9.475 -0.506 1.00 61.44 O ATOM 0 H SER A 80 4.151 8.130 -4.570 1.00 40.42 H new ATOM 0 HA SER A 80 3.779 10.422 -2.796 1.00 43.52 H new ATOM 0 HB2 SER A 80 2.602 8.500 -1.661 1.00 24.04 H new ATOM 0 HB3 SER A 80 4.165 7.714 -1.553 1.00 24.04 H new ATOM 0 HG SER A 80 3.481 9.166 0.268 1.00 61.44 H new ATOM 1208 N GLY A 81 6.282 10.499 -3.073 1.00 32.22 N ATOM 1209 CA GLY A 81 7.698 10.646 -3.375 1.00 12.10 C ATOM 1210 C GLY A 81 8.618 10.009 -2.334 1.00 75.03 C ATOM 1211 O GLY A 81 9.804 9.820 -2.610 1.00 63.12 O ATOM 0 H GLY A 81 5.825 11.381 -2.843 1.00 32.22 H new ATOM 0 HA2 GLY A 81 7.901 10.199 -4.348 1.00 12.10 H new ATOM 0 HA3 GLY A 81 7.935 11.707 -3.456 1.00 12.10 H new ATOM 1215 N LEU A 82 8.117 9.691 -1.138 1.00 35.04 N ATOM 1216 CA LEU A 82 8.918 9.202 -0.026 1.00 34.00 C ATOM 1217 C LEU A 82 8.100 8.189 0.755 1.00 14.44 C ATOM 1218 O LEU A 82 7.121 8.553 1.404 1.00 55.23 O ATOM 1219 CB LEU A 82 9.368 10.399 0.833 1.00 62.34 C ATOM 1220 CG LEU A 82 10.081 10.000 2.149 1.00 44.21 C ATOM 1221 CD1 LEU A 82 11.406 10.755 2.303 1.00 71.32 C ATOM 1222 CD2 LEU A 82 9.216 10.282 3.383 1.00 32.14 C ATOM 0 H LEU A 82 7.124 9.770 -0.917 1.00 35.04 H new ATOM 0 HA LEU A 82 9.819 8.698 -0.374 1.00 34.00 H new ATOM 0 HB2 LEU A 82 10.039 11.024 0.244 1.00 62.34 H new ATOM 0 HB3 LEU A 82 8.496 11.007 1.074 1.00 62.34 H new ATOM 0 HG LEU A 82 10.265 8.928 2.085 1.00 44.21 H new ATOM 0 HD11 LEU A 82 11.888 10.458 3.234 1.00 71.32 H new ATOM 0 HD12 LEU A 82 12.060 10.517 1.464 1.00 71.32 H new ATOM 0 HD13 LEU A 82 11.214 11.828 2.320 1.00 71.32 H new ATOM 0 HD21 LEU A 82 9.757 9.986 4.282 1.00 32.14 H new ATOM 0 HD22 LEU A 82 8.987 11.347 3.431 1.00 32.14 H new ATOM 0 HD23 LEU A 82 8.288 9.714 3.315 1.00 32.14 H new ATOM 1234 N PHE A 83 8.496 6.918 0.668 1.00 32.21 N ATOM 1235 CA PHE A 83 7.986 5.840 1.523 1.00 3.12 C ATOM 1236 C PHE A 83 8.930 5.479 2.677 1.00 53.35 C ATOM 1237 O PHE A 83 8.614 4.586 3.461 1.00 12.52 O ATOM 1238 CB PHE A 83 7.616 4.623 0.668 1.00 0.10 C ATOM 1239 CG PHE A 83 6.135 4.553 0.377 1.00 22.30 C ATOM 1240 CD1 PHE A 83 5.612 5.275 -0.710 1.00 53.44 C ATOM 1241 CD2 PHE A 83 5.278 3.808 1.219 1.00 23.10 C ATOM 1242 CE1 PHE A 83 4.236 5.212 -0.975 1.00 0.22 C ATOM 1243 CE2 PHE A 83 3.901 3.738 0.934 1.00 61.41 C ATOM 1244 CZ PHE A 83 3.398 4.420 -0.180 1.00 43.14 C ATOM 0 H PHE A 83 9.191 6.602 -0.008 1.00 32.21 H new ATOM 0 HA PHE A 83 7.083 6.209 2.009 1.00 3.12 H new ATOM 0 HB2 PHE A 83 8.167 4.662 -0.272 1.00 0.10 H new ATOM 0 HB3 PHE A 83 7.926 3.713 1.182 1.00 0.10 H new ATOM 0 HD1 PHE A 83 6.262 5.871 -1.334 1.00 53.44 H new ATOM 0 HD2 PHE A 83 5.679 3.293 2.080 1.00 23.10 H new ATOM 0 HE1 PHE A 83 3.821 5.777 -1.796 1.00 0.22 H new ATOM 0 HE2 PHE A 83 3.240 3.165 1.568 1.00 61.41 H new ATOM 0 HZ PHE A 83 2.351 4.334 -0.430 1.00 43.14 H new ATOM 1254 N THR A 84 10.061 6.180 2.799 1.00 12.31 N ATOM 1255 CA THR A 84 11.094 5.916 3.802 1.00 2.22 C ATOM 1256 C THR A 84 11.583 4.450 3.697 1.00 34.40 C ATOM 1257 O THR A 84 11.318 3.807 2.675 1.00 60.41 O ATOM 1258 CB THR A 84 10.613 6.382 5.201 1.00 55.51 C ATOM 1259 OG1 THR A 84 9.598 7.378 5.088 1.00 15.30 O ATOM 1260 CG2 THR A 84 11.783 6.994 5.981 1.00 63.22 C ATOM 0 H THR A 84 10.288 6.965 2.188 1.00 12.31 H new ATOM 0 HA THR A 84 11.988 6.510 3.612 1.00 2.22 H new ATOM 0 HB THR A 84 10.217 5.509 5.719 1.00 55.51 H new ATOM 0 HG1 THR A 84 9.310 7.654 5.983 1.00 15.30 H new ATOM 0 HG21 THR A 84 11.436 7.318 6.962 1.00 63.22 H new ATOM 0 HG22 THR A 84 12.569 6.249 6.102 1.00 63.22 H new ATOM 0 HG23 THR A 84 12.177 7.851 5.434 1.00 63.22 H new ATOM 1268 N TRP A 85 12.342 3.922 4.668 1.00 12.23 N ATOM 1269 CA TRP A 85 12.642 2.494 4.723 1.00 73.14 C ATOM 1270 C TRP A 85 11.950 1.779 5.868 1.00 1.10 C ATOM 1271 O TRP A 85 11.359 0.726 5.637 1.00 54.35 O ATOM 1272 CB TRP A 85 14.147 2.252 4.746 1.00 32.21 C ATOM 1273 CG TRP A 85 14.772 2.416 3.407 1.00 44.15 C ATOM 1274 CD1 TRP A 85 15.863 3.156 3.162 1.00 44.45 C ATOM 1275 CD2 TRP A 85 14.399 1.816 2.131 1.00 3.14 C ATOM 1276 NE1 TRP A 85 16.164 3.120 1.816 1.00 33.10 N ATOM 1277 CE2 TRP A 85 15.305 2.277 1.133 1.00 4.52 C ATOM 1278 CE3 TRP A 85 13.413 0.895 1.725 1.00 62.34 C ATOM 1279 CZ2 TRP A 85 15.223 1.832 -0.198 1.00 11.51 C ATOM 1280 CZ3 TRP A 85 13.318 0.463 0.393 1.00 53.54 C ATOM 1281 CH2 TRP A 85 14.228 0.920 -0.570 1.00 51.12 C ATOM 0 H TRP A 85 12.757 4.467 5.424 1.00 12.23 H new ATOM 0 HA TRP A 85 12.236 2.060 3.809 1.00 73.14 H new ATOM 0 HB2 TRP A 85 14.612 2.945 5.447 1.00 32.21 H new ATOM 0 HB3 TRP A 85 14.344 1.245 5.114 1.00 32.21 H new ATOM 0 HD1 TRP A 85 16.423 3.700 3.908 1.00 44.45 H new ATOM 0 HE1 TRP A 85 16.921 3.646 1.381 1.00 33.10 H new ATOM 0 HE3 TRP A 85 12.715 0.513 2.455 1.00 62.34 H new ATOM 0 HZ2 TRP A 85 15.927 2.193 -0.933 1.00 11.51 H new ATOM 0 HZ3 TRP A 85 12.538 -0.227 0.108 1.00 53.54 H new ATOM 0 HH2 TRP A 85 14.162 0.572 -1.590 1.00 51.12 H new ATOM 1292 N ASP A 86 11.993 2.320 7.084 1.00 21.32 N ATOM 1293 CA ASP A 86 11.519 1.617 8.284 1.00 53.13 C ATOM 1294 C ASP A 86 10.017 1.338 8.174 1.00 55.12 C ATOM 1295 O ASP A 86 9.525 0.385 8.772 1.00 12.13 O ATOM 1296 CB ASP A 86 11.848 2.406 9.569 1.00 23.22 C ATOM 1297 CG ASP A 86 13.320 2.331 10.015 1.00 0.34 C ATOM 1298 OD1 ASP A 86 14.226 2.234 9.148 1.00 21.21 O ATOM 1299 OD2 ASP A 86 13.606 2.491 11.226 1.00 62.13 O ATOM 0 H ASP A 86 12.356 3.255 7.270 1.00 21.32 H new ATOM 0 HA ASP A 86 12.044 0.664 8.350 1.00 53.13 H new ATOM 0 HB2 ASP A 86 11.583 3.452 9.414 1.00 23.22 H new ATOM 0 HB3 ASP A 86 11.219 2.034 10.378 1.00 23.22 H new ATOM 1304 N TYR A 87 9.289 2.136 7.384 1.00 73.03 N ATOM 1305 CA TYR A 87 7.872 1.977 7.086 1.00 2.22 C ATOM 1306 C TYR A 87 7.597 0.899 6.030 1.00 41.41 C ATOM 1307 O TYR A 87 6.561 0.255 6.084 1.00 15.24 O ATOM 1308 CB TYR A 87 7.339 3.334 6.606 1.00 14.12 C ATOM 1309 CG TYR A 87 5.838 3.438 6.385 1.00 63.01 C ATOM 1310 CD1 TYR A 87 4.949 3.007 7.387 1.00 63.23 C ATOM 1311 CD2 TYR A 87 5.328 4.037 5.214 1.00 75.04 C ATOM 1312 CE1 TYR A 87 3.569 3.218 7.243 1.00 15.50 C ATOM 1313 CE2 TYR A 87 3.940 4.235 5.056 1.00 32.04 C ATOM 1314 CZ TYR A 87 3.053 3.835 6.083 1.00 21.30 C ATOM 1315 OH TYR A 87 1.718 4.098 6.007 1.00 63.35 O ATOM 0 H TYR A 87 9.696 2.946 6.916 1.00 73.03 H new ATOM 0 HA TYR A 87 7.364 1.647 7.992 1.00 2.22 H new ATOM 0 HB2 TYR A 87 7.629 4.091 7.335 1.00 14.12 H new ATOM 0 HB3 TYR A 87 7.839 3.584 5.670 1.00 14.12 H new ATOM 0 HD1 TYR A 87 5.329 2.513 8.269 1.00 63.23 H new ATOM 0 HD2 TYR A 87 6.006 4.347 4.432 1.00 75.04 H new ATOM 0 HE1 TYR A 87 2.895 2.905 8.027 1.00 15.50 H new ATOM 0 HE2 TYR A 87 3.556 4.690 4.155 1.00 32.04 H new ATOM 0 HH TYR A 87 1.365 4.261 6.907 1.00 63.35 H new ATOM 1325 N LEU A 88 8.483 0.668 5.062 1.00 52.35 N ATOM 1326 CA LEU A 88 8.168 -0.226 3.944 1.00 14.20 C ATOM 1327 C LEU A 88 8.096 -1.688 4.379 1.00 35.12 C ATOM 1328 O LEU A 88 7.055 -2.331 4.222 1.00 32.33 O ATOM 1329 CB LEU A 88 9.153 -0.028 2.784 1.00 44.15 C ATOM 1330 CG LEU A 88 8.752 1.116 1.846 1.00 24.30 C ATOM 1331 CD1 LEU A 88 9.835 1.301 0.785 1.00 55.13 C ATOM 1332 CD2 LEU A 88 7.422 0.847 1.133 1.00 2.40 C ATOM 0 H LEU A 88 9.415 1.081 5.027 1.00 52.35 H new ATOM 0 HA LEU A 88 7.174 0.042 3.586 1.00 14.20 H new ATOM 0 HB2 LEU A 88 10.146 0.172 3.188 1.00 44.15 H new ATOM 0 HB3 LEU A 88 9.222 -0.953 2.211 1.00 44.15 H new ATOM 0 HG LEU A 88 8.637 2.011 2.458 1.00 24.30 H new ATOM 0 HD11 LEU A 88 9.554 2.114 0.116 1.00 55.13 H new ATOM 0 HD12 LEU A 88 10.782 1.541 1.269 1.00 55.13 H new ATOM 0 HD13 LEU A 88 9.944 0.380 0.212 1.00 55.13 H new ATOM 0 HD21 LEU A 88 7.183 1.687 0.481 1.00 2.40 H new ATOM 0 HD22 LEU A 88 7.506 -0.062 0.538 1.00 2.40 H new ATOM 0 HD23 LEU A 88 6.631 0.725 1.873 1.00 2.40 H new ATOM 1344 N TYR A 89 9.193 -2.245 4.894 1.00 52.22 N ATOM 1345 CA TYR A 89 9.241 -3.631 5.346 1.00 31.00 C ATOM 1346 C TYR A 89 8.224 -3.895 6.450 1.00 63.13 C ATOM 1347 O TYR A 89 7.624 -4.965 6.462 1.00 62.11 O ATOM 1348 CB TYR A 89 10.668 -4.001 5.775 1.00 3.42 C ATOM 1349 CG TYR A 89 11.421 -4.886 4.797 1.00 54.35 C ATOM 1350 CD1 TYR A 89 10.787 -5.945 4.115 1.00 75.02 C ATOM 1351 CD2 TYR A 89 12.785 -4.649 4.562 1.00 51.23 C ATOM 1352 CE1 TYR A 89 11.485 -6.674 3.150 1.00 23.01 C ATOM 1353 CE2 TYR A 89 13.516 -5.451 3.680 1.00 2.54 C ATOM 1354 CZ TYR A 89 12.858 -6.452 2.942 1.00 63.12 C ATOM 1355 OH TYR A 89 13.519 -7.182 2.007 1.00 10.33 O ATOM 0 H TYR A 89 10.074 -1.744 5.009 1.00 52.22 H new ATOM 0 HA TYR A 89 8.965 -4.276 4.511 1.00 31.00 H new ATOM 0 HB2 TYR A 89 11.237 -3.083 5.924 1.00 3.42 H new ATOM 0 HB3 TYR A 89 10.622 -4.507 6.739 1.00 3.42 H new ATOM 0 HD1 TYR A 89 9.760 -6.193 4.339 1.00 75.02 H new ATOM 0 HD2 TYR A 89 13.278 -3.834 5.071 1.00 51.23 H new ATOM 0 HE1 TYR A 89 10.966 -7.414 2.559 1.00 23.01 H new ATOM 0 HE2 TYR A 89 14.580 -5.303 3.566 1.00 2.54 H new ATOM 0 HH TYR A 89 13.965 -7.940 2.439 1.00 10.33 H new ATOM 1365 N GLU A 90 7.975 -2.917 7.317 1.00 31.41 N ATOM 1366 CA GLU A 90 6.919 -2.970 8.319 1.00 31.20 C ATOM 1367 C GLU A 90 5.634 -3.479 7.660 1.00 41.42 C ATOM 1368 O GLU A 90 5.088 -4.513 8.040 1.00 53.25 O ATOM 1369 CB GLU A 90 6.780 -1.559 8.912 1.00 62.11 C ATOM 1370 CG GLU A 90 5.763 -1.418 10.044 1.00 34.43 C ATOM 1371 CD GLU A 90 6.456 -0.980 11.331 1.00 62.04 C ATOM 1372 OE1 GLU A 90 7.275 -1.777 11.847 1.00 72.24 O ATOM 1373 OE2 GLU A 90 6.187 0.125 11.854 1.00 63.41 O ATOM 0 H GLU A 90 8.512 -2.050 7.342 1.00 31.41 H new ATOM 0 HA GLU A 90 7.146 -3.660 9.132 1.00 31.20 H new ATOM 0 HB2 GLU A 90 7.755 -1.241 9.282 1.00 62.11 H new ATOM 0 HB3 GLU A 90 6.504 -0.873 8.111 1.00 62.11 H new ATOM 0 HG2 GLU A 90 5.001 -0.689 9.768 1.00 34.43 H new ATOM 0 HG3 GLU A 90 5.253 -2.368 10.203 1.00 34.43 H new ATOM 1380 N LEU A 91 5.196 -2.795 6.606 1.00 14.52 N ATOM 1381 CA LEU A 91 3.946 -3.098 5.931 1.00 11.41 C ATOM 1382 C LEU A 91 4.032 -4.429 5.165 1.00 24.21 C ATOM 1383 O LEU A 91 3.014 -5.101 5.062 1.00 22.40 O ATOM 1384 CB LEU A 91 3.559 -1.935 5.002 1.00 71.34 C ATOM 1385 CG LEU A 91 3.516 -0.546 5.688 1.00 72.35 C ATOM 1386 CD1 LEU A 91 3.708 0.582 4.671 1.00 3.44 C ATOM 1387 CD2 LEU A 91 2.272 -0.292 6.543 1.00 12.33 C ATOM 0 H LEU A 91 5.705 -2.011 6.197 1.00 14.52 H new ATOM 0 HA LEU A 91 3.164 -3.215 6.681 1.00 11.41 H new ATOM 0 HB2 LEU A 91 4.269 -1.896 4.176 1.00 71.34 H new ATOM 0 HB3 LEU A 91 2.580 -2.143 4.571 1.00 71.34 H new ATOM 0 HG LEU A 91 4.354 -0.554 6.385 1.00 72.35 H new ATOM 0 HD11 LEU A 91 3.673 1.544 5.183 1.00 3.44 H new ATOM 0 HD12 LEU A 91 4.674 0.468 4.179 1.00 3.44 H new ATOM 0 HD13 LEU A 91 2.914 0.539 3.925 1.00 3.44 H new ATOM 0 HD21 LEU A 91 2.330 0.704 6.983 1.00 12.33 H new ATOM 0 HD22 LEU A 91 1.381 -0.362 5.919 1.00 12.33 H new ATOM 0 HD23 LEU A 91 2.218 -1.037 7.337 1.00 12.33 H new ATOM 1399 N ALA A 92 5.212 -4.872 4.700 1.00 40.43 N ATOM 1400 CA ALA A 92 5.437 -6.173 4.049 1.00 14.22 C ATOM 1401 C ALA A 92 4.885 -7.298 4.931 1.00 10.54 C ATOM 1402 O ALA A 92 4.034 -8.080 4.497 1.00 2.42 O ATOM 1403 CB ALA A 92 6.933 -6.397 3.730 1.00 45.22 C ATOM 0 H ALA A 92 6.064 -4.315 4.769 1.00 40.43 H new ATOM 0 HA ALA A 92 4.904 -6.179 3.098 1.00 14.22 H new ATOM 0 HB1 ALA A 92 7.061 -7.367 3.250 1.00 45.22 H new ATOM 0 HB2 ALA A 92 7.284 -5.612 3.060 1.00 45.22 H new ATOM 0 HB3 ALA A 92 7.510 -6.370 4.654 1.00 45.22 H new ATOM 1409 N THR A 93 5.359 -7.353 6.180 1.00 35.02 N ATOM 1410 CA THR A 93 5.057 -8.462 7.101 1.00 2.51 C ATOM 1411 C THR A 93 3.862 -8.162 8.031 1.00 64.32 C ATOM 1412 O THR A 93 3.395 -9.041 8.762 1.00 45.33 O ATOM 1413 CB THR A 93 6.360 -8.903 7.800 1.00 72.34 C ATOM 1414 OG1 THR A 93 6.239 -10.061 8.601 1.00 30.13 O ATOM 1415 CG2 THR A 93 6.986 -7.831 8.664 1.00 21.00 C ATOM 0 H THR A 93 5.961 -6.635 6.583 1.00 35.02 H new ATOM 0 HA THR A 93 4.698 -9.325 6.540 1.00 2.51 H new ATOM 0 HB THR A 93 7.003 -9.121 6.947 1.00 72.34 H new ATOM 0 HG1 THR A 93 6.221 -10.855 8.027 1.00 30.13 H new ATOM 0 HG21 THR A 93 7.897 -8.218 9.121 1.00 21.00 H new ATOM 0 HG22 THR A 93 7.228 -6.964 8.050 1.00 21.00 H new ATOM 0 HG23 THR A 93 6.285 -7.538 9.445 1.00 21.00 H new ATOM 1423 N ARG A 94 3.306 -6.946 7.988 1.00 60.13 N ATOM 1424 CA ARG A 94 2.067 -6.585 8.687 1.00 55.34 C ATOM 1425 C ARG A 94 0.836 -6.643 7.791 1.00 71.45 C ATOM 1426 O ARG A 94 -0.276 -6.617 8.314 1.00 44.43 O ATOM 1427 CB ARG A 94 2.244 -5.217 9.333 1.00 52.33 C ATOM 1428 CG ARG A 94 3.249 -5.239 10.494 1.00 73.44 C ATOM 1429 CD ARG A 94 2.581 -5.047 11.854 1.00 61.35 C ATOM 1430 NE ARG A 94 2.162 -6.280 12.535 1.00 2.32 N ATOM 1431 CZ ARG A 94 1.566 -6.284 13.739 1.00 0.22 C ATOM 1432 NH1 ARG A 94 1.245 -5.147 14.354 1.00 3.33 N ATOM 1433 NH2 ARG A 94 1.278 -7.421 14.352 1.00 71.22 N ATOM 0 H ARG A 94 3.710 -6.173 7.459 1.00 60.13 H new ATOM 0 HA ARG A 94 1.882 -7.329 9.462 1.00 55.34 H new ATOM 0 HB2 ARG A 94 2.580 -4.504 8.580 1.00 52.33 H new ATOM 0 HB3 ARG A 94 1.280 -4.864 9.698 1.00 52.33 H new ATOM 0 HG2 ARG A 94 3.785 -6.188 10.488 1.00 73.44 H new ATOM 0 HG3 ARG A 94 3.990 -4.454 10.343 1.00 73.44 H new ATOM 0 HD2 ARG A 94 3.271 -4.510 12.505 1.00 61.35 H new ATOM 0 HD3 ARG A 94 1.706 -4.410 11.722 1.00 61.35 H new ATOM 0 HE ARG A 94 2.331 -7.173 12.073 1.00 2.32 H new ATOM 0 HH11 ARG A 94 1.451 -4.252 13.911 1.00 3.33 H new ATOM 0 HH12 ARG A 94 0.793 -5.172 15.268 1.00 3.33 H new ATOM 0 HH21 ARG A 94 1.509 -8.311 13.910 1.00 71.22 H new ATOM 0 HH22 ARG A 94 0.825 -7.407 15.266 1.00 71.22 H new ATOM 1447 N LYS A 95 0.999 -6.749 6.468 1.00 11.13 N ATOM 1448 CA LYS A 95 -0.080 -6.665 5.479 1.00 55.22 C ATOM 1449 C LYS A 95 -1.318 -7.465 5.862 1.00 3.12 C ATOM 1450 O LYS A 95 -2.434 -6.986 5.685 1.00 12.14 O ATOM 1451 CB LYS A 95 0.482 -7.091 4.116 1.00 43.23 C ATOM 1452 CG LYS A 95 -0.592 -7.365 3.055 1.00 23.04 C ATOM 1453 CD LYS A 95 0.006 -7.572 1.655 1.00 42.15 C ATOM 1454 CE LYS A 95 -0.524 -8.835 0.961 1.00 1.24 C ATOM 1455 NZ LYS A 95 -2.000 -8.845 0.824 1.00 44.22 N ATOM 0 H LYS A 95 1.914 -6.900 6.043 1.00 11.13 H new ATOM 0 HA LYS A 95 -0.427 -5.633 5.434 1.00 55.22 H new ATOM 0 HB2 LYS A 95 1.149 -6.311 3.750 1.00 43.23 H new ATOM 0 HB3 LYS A 95 1.085 -7.989 4.248 1.00 43.23 H new ATOM 0 HG2 LYS A 95 -1.161 -8.250 3.338 1.00 23.04 H new ATOM 0 HG3 LYS A 95 -1.293 -6.531 3.028 1.00 23.04 H new ATOM 0 HD2 LYS A 95 -0.218 -6.702 1.037 1.00 42.15 H new ATOM 0 HD3 LYS A 95 1.091 -7.635 1.734 1.00 42.15 H new ATOM 0 HE2 LYS A 95 -0.072 -8.916 -0.028 1.00 1.24 H new ATOM 0 HE3 LYS A 95 -0.211 -9.712 1.527 1.00 1.24 H new ATOM 0 HZ1 LYS A 95 -2.285 -9.620 0.191 1.00 44.22 H new ATOM 0 HZ2 LYS A 95 -2.434 -8.984 1.759 1.00 44.22 H new ATOM 0 HZ3 LYS A 95 -2.318 -7.938 0.426 1.00 44.22 H new ATOM 1469 N ASP A 96 -1.113 -8.668 6.367 1.00 3.12 N ATOM 1470 CA ASP A 96 -2.172 -9.591 6.774 1.00 71.14 C ATOM 1471 C ASP A 96 -3.135 -8.978 7.808 1.00 53.52 C ATOM 1472 O ASP A 96 -4.344 -9.202 7.715 1.00 70.24 O ATOM 1473 CB ASP A 96 -1.504 -10.898 7.235 1.00 25.21 C ATOM 1474 CG ASP A 96 -2.422 -12.117 7.354 1.00 10.24 C ATOM 1475 OD1 ASP A 96 -3.567 -12.075 6.849 1.00 30.21 O ATOM 1476 OD2 ASP A 96 -1.944 -13.195 7.774 1.00 11.33 O ATOM 0 H ASP A 96 -0.177 -9.047 6.512 1.00 3.12 H new ATOM 0 HA ASP A 96 -2.823 -9.810 5.928 1.00 71.14 H new ATOM 0 HB2 ASP A 96 -0.703 -11.139 6.537 1.00 25.21 H new ATOM 0 HB3 ASP A 96 -1.039 -10.722 8.205 1.00 25.21 H new ATOM 1481 N GLN A 97 -2.652 -8.131 8.725 1.00 63.25 N ATOM 1482 CA GLN A 97 -3.462 -7.395 9.694 1.00 72.33 C ATOM 1483 C GLN A 97 -4.016 -6.138 9.018 1.00 41.12 C ATOM 1484 O GLN A 97 -5.229 -5.933 8.978 1.00 41.24 O ATOM 1485 CB GLN A 97 -2.563 -7.076 10.905 1.00 71.31 C ATOM 1486 CG GLN A 97 -3.134 -6.160 11.999 1.00 24.24 C ATOM 1487 CD GLN A 97 -4.354 -6.694 12.746 1.00 2.42 C ATOM 1488 OE1 GLN A 97 -4.260 -7.573 13.608 1.00 63.44 O ATOM 1489 NE2 GLN A 97 -5.530 -6.153 12.489 1.00 51.14 N ATOM 0 H GLN A 97 -1.655 -7.935 8.813 1.00 63.25 H new ATOM 0 HA GLN A 97 -4.317 -7.973 10.045 1.00 72.33 H new ATOM 0 HB2 GLN A 97 -2.282 -8.020 11.372 1.00 71.31 H new ATOM 0 HB3 GLN A 97 -1.646 -6.620 10.531 1.00 71.31 H new ATOM 0 HG2 GLN A 97 -2.346 -5.959 12.725 1.00 24.24 H new ATOM 0 HG3 GLN A 97 -3.399 -5.205 11.545 1.00 24.24 H new ATOM 0 HE21 GLN A 97 -5.613 -5.427 11.778 1.00 51.14 H new ATOM 0 HE22 GLN A 97 -6.356 -6.461 13.002 1.00 51.14 H new ATOM 1498 N LEU A 98 -3.117 -5.329 8.446 1.00 53.51 N ATOM 1499 CA LEU A 98 -3.403 -4.009 7.870 1.00 22.40 C ATOM 1500 C LEU A 98 -4.512 -4.086 6.830 1.00 64.32 C ATOM 1501 O LEU A 98 -5.316 -3.169 6.704 1.00 23.40 O ATOM 1502 CB LEU A 98 -2.160 -3.466 7.135 1.00 52.54 C ATOM 1503 CG LEU A 98 -0.863 -3.412 7.961 1.00 34.23 C ATOM 1504 CD1 LEU A 98 0.391 -3.205 7.115 1.00 41.52 C ATOM 1505 CD2 LEU A 98 -0.840 -2.292 8.971 1.00 55.14 C ATOM 0 H LEU A 98 -2.133 -5.585 8.368 1.00 53.51 H new ATOM 0 HA LEU A 98 -3.697 -3.364 8.698 1.00 22.40 H new ATOM 0 HB2 LEU A 98 -1.983 -4.085 6.255 1.00 52.54 H new ATOM 0 HB3 LEU A 98 -2.383 -2.461 6.778 1.00 52.54 H new ATOM 0 HG LEU A 98 -0.856 -4.387 8.448 1.00 34.23 H new ATOM 0 HD11 LEU A 98 1.267 -3.177 7.763 1.00 41.52 H new ATOM 0 HD12 LEU A 98 0.491 -4.026 6.405 1.00 41.52 H new ATOM 0 HD13 LEU A 98 0.312 -2.264 6.571 1.00 41.52 H new ATOM 0 HD21 LEU A 98 0.103 -2.314 9.517 1.00 55.14 H new ATOM 0 HD22 LEU A 98 -0.939 -1.336 8.457 1.00 55.14 H new ATOM 0 HD23 LEU A 98 -1.667 -2.415 9.670 1.00 55.14 H new ATOM 1517 N TRP A 99 -4.518 -5.141 6.013 1.00 40.34 N ATOM 1518 CA TRP A 99 -5.496 -5.274 4.956 1.00 14.11 C ATOM 1519 C TRP A 99 -6.876 -5.421 5.568 1.00 33.44 C ATOM 1520 O TRP A 99 -7.769 -4.646 5.233 1.00 43.14 O ATOM 1521 CB TRP A 99 -5.147 -6.439 4.026 1.00 2.24 C ATOM 1522 CG TRP A 99 -6.036 -6.589 2.829 1.00 72.25 C ATOM 1523 CD1 TRP A 99 -6.658 -7.731 2.454 1.00 3.42 C ATOM 1524 CD2 TRP A 99 -6.438 -5.579 1.851 1.00 24.31 C ATOM 1525 NE1 TRP A 99 -7.355 -7.522 1.280 1.00 25.11 N ATOM 1526 CE2 TRP A 99 -7.256 -6.210 0.866 1.00 12.41 C ATOM 1527 CE3 TRP A 99 -6.225 -4.188 1.714 1.00 22.01 C ATOM 1528 CZ2 TRP A 99 -7.809 -5.502 -0.212 1.00 25.14 C ATOM 1529 CZ3 TRP A 99 -6.707 -3.487 0.592 1.00 32.33 C ATOM 1530 CH2 TRP A 99 -7.484 -4.146 -0.376 1.00 12.24 C ATOM 0 H TRP A 99 -3.852 -5.911 6.071 1.00 40.34 H new ATOM 0 HA TRP A 99 -5.489 -4.376 4.338 1.00 14.11 H new ATOM 0 HB2 TRP A 99 -4.120 -6.313 3.682 1.00 2.24 H new ATOM 0 HB3 TRP A 99 -5.180 -7.364 4.601 1.00 2.24 H new ATOM 0 HD1 TRP A 99 -6.616 -8.666 2.992 1.00 3.42 H new ATOM 0 HE1 TRP A 99 -7.876 -8.245 0.783 1.00 25.11 H new ATOM 0 HE3 TRP A 99 -5.684 -3.655 2.482 1.00 22.01 H new ATOM 0 HZ2 TRP A 99 -8.475 -5.993 -0.906 1.00 25.14 H new ATOM 0 HZ3 TRP A 99 -6.479 -2.438 0.475 1.00 32.33 H new ATOM 0 HH2 TRP A 99 -7.831 -3.609 -1.246 1.00 12.24 H new ATOM 1541 N ALA A 100 -7.030 -6.386 6.478 1.00 31.41 N ATOM 1542 CA ALA A 100 -8.290 -6.634 7.159 1.00 55.55 C ATOM 1543 C ALA A 100 -8.801 -5.383 7.888 1.00 43.21 C ATOM 1544 O ALA A 100 -10.001 -5.114 7.875 1.00 42.21 O ATOM 1545 CB ALA A 100 -8.081 -7.776 8.142 1.00 63.04 C ATOM 0 H ALA A 100 -6.279 -7.016 6.760 1.00 31.41 H new ATOM 0 HA ALA A 100 -9.048 -6.899 6.422 1.00 55.55 H new ATOM 0 HB1 ALA A 100 -9.015 -7.981 8.666 1.00 63.04 H new ATOM 0 HB2 ALA A 100 -7.765 -8.668 7.601 1.00 63.04 H new ATOM 0 HB3 ALA A 100 -7.313 -7.499 8.864 1.00 63.04 H new ATOM 1551 N ASP A 101 -7.895 -4.616 8.499 1.00 44.44 N ATOM 1552 CA ASP A 101 -8.194 -3.326 9.119 1.00 13.43 C ATOM 1553 C ASP A 101 -8.782 -2.379 8.073 1.00 2.52 C ATOM 1554 O ASP A 101 -9.878 -1.852 8.247 1.00 72.05 O ATOM 1555 CB ASP A 101 -6.927 -2.719 9.747 1.00 4.23 C ATOM 1556 CG ASP A 101 -6.619 -3.263 11.134 1.00 73.35 C ATOM 1557 OD1 ASP A 101 -7.516 -3.332 12.009 1.00 21.31 O ATOM 1558 OD2 ASP A 101 -5.450 -3.647 11.359 1.00 43.21 O ATOM 0 H ASP A 101 -6.913 -4.881 8.577 1.00 44.44 H new ATOM 0 HA ASP A 101 -8.924 -3.476 9.914 1.00 13.43 H new ATOM 0 HB2 ASP A 101 -6.077 -2.913 9.092 1.00 4.23 H new ATOM 0 HB3 ASP A 101 -7.043 -1.637 9.807 1.00 4.23 H new ATOM 1563 N TYR A 102 -8.088 -2.189 6.949 1.00 14.51 N ATOM 1564 CA TYR A 102 -8.530 -1.302 5.885 1.00 14.23 C ATOM 1565 C TYR A 102 -9.822 -1.763 5.190 1.00 44.25 C ATOM 1566 O TYR A 102 -10.531 -0.940 4.603 1.00 40.34 O ATOM 1567 CB TYR A 102 -7.396 -1.156 4.868 1.00 4.50 C ATOM 1568 CG TYR A 102 -6.317 -0.132 5.218 1.00 64.11 C ATOM 1569 CD1 TYR A 102 -6.650 1.150 5.710 1.00 64.03 C ATOM 1570 CD2 TYR A 102 -4.957 -0.479 5.091 1.00 20.41 C ATOM 1571 CE1 TYR A 102 -5.642 2.056 6.091 1.00 72.12 C ATOM 1572 CE2 TYR A 102 -3.946 0.426 5.460 1.00 3.11 C ATOM 1573 CZ TYR A 102 -4.280 1.703 5.959 1.00 2.43 C ATOM 1574 OH TYR A 102 -3.289 2.579 6.303 1.00 3.34 O ATOM 0 H TYR A 102 -7.200 -2.651 6.756 1.00 14.51 H new ATOM 0 HA TYR A 102 -8.772 -0.341 6.339 1.00 14.23 H new ATOM 0 HB2 TYR A 102 -6.920 -2.128 4.741 1.00 4.50 H new ATOM 0 HB3 TYR A 102 -7.829 -0.885 3.905 1.00 4.50 H new ATOM 0 HD1 TYR A 102 -7.688 1.438 5.795 1.00 64.03 H new ATOM 0 HD2 TYR A 102 -4.688 -1.451 4.706 1.00 20.41 H new ATOM 0 HE1 TYR A 102 -5.911 3.025 6.486 1.00 72.12 H new ATOM 0 HE2 TYR A 102 -2.909 0.142 5.361 1.00 3.11 H new ATOM 0 HH TYR A 102 -2.416 2.163 6.146 1.00 3.34 H new ATOM 1584 N LEU A 103 -10.135 -3.060 5.173 1.00 20.10 N ATOM 1585 CA LEU A 103 -11.473 -3.551 4.831 1.00 14.50 C ATOM 1586 C LEU A 103 -12.497 -3.036 5.832 1.00 13.54 C ATOM 1587 O LEU A 103 -13.518 -2.496 5.402 1.00 13.34 O ATOM 1588 CB LEU A 103 -11.602 -5.088 4.800 1.00 75.34 C ATOM 1589 CG LEU A 103 -11.195 -5.838 3.522 1.00 15.40 C ATOM 1590 CD1 LEU A 103 -11.830 -5.262 2.259 1.00 12.11 C ATOM 1591 CD2 LEU A 103 -9.690 -5.897 3.307 1.00 71.35 C ATOM 0 H LEU A 103 -9.469 -3.800 5.396 1.00 20.10 H new ATOM 0 HA LEU A 103 -11.654 -3.177 3.823 1.00 14.50 H new ATOM 0 HB2 LEU A 103 -11.005 -5.486 5.621 1.00 75.34 H new ATOM 0 HB3 LEU A 103 -12.642 -5.337 5.012 1.00 75.34 H new ATOM 0 HG LEU A 103 -11.571 -6.847 3.689 1.00 15.40 H new ATOM 0 HD11 LEU A 103 -11.502 -5.836 1.393 1.00 12.11 H new ATOM 0 HD12 LEU A 103 -12.916 -5.316 2.340 1.00 12.11 H new ATOM 0 HD13 LEU A 103 -11.526 -4.222 2.141 1.00 12.11 H new ATOM 0 HD21 LEU A 103 -9.475 -6.441 2.387 1.00 71.35 H new ATOM 0 HD22 LEU A 103 -9.293 -4.885 3.231 1.00 71.35 H new ATOM 0 HD23 LEU A 103 -9.222 -6.408 4.148 1.00 71.35 H new ATOM 1603 N ALA A 104 -12.266 -3.260 7.129 1.00 32.24 N ATOM 1604 CA ALA A 104 -13.193 -2.887 8.190 1.00 71.04 C ATOM 1605 C ALA A 104 -13.515 -1.398 8.091 1.00 23.12 C ATOM 1606 O ALA A 104 -14.682 -1.021 8.127 1.00 14.42 O ATOM 1607 CB ALA A 104 -12.600 -3.249 9.556 1.00 42.15 C ATOM 0 H ALA A 104 -11.418 -3.712 7.471 1.00 32.24 H new ATOM 0 HA ALA A 104 -14.125 -3.441 8.077 1.00 71.04 H new ATOM 0 HB1 ALA A 104 -13.300 -2.967 10.343 1.00 42.15 H new ATOM 0 HB2 ALA A 104 -12.418 -4.323 9.601 1.00 42.15 H new ATOM 0 HB3 ALA A 104 -11.660 -2.715 9.698 1.00 42.15 H new ATOM 1613 N GLU A 105 -12.485 -0.580 7.881 1.00 1.12 N ATOM 1614 CA GLU A 105 -12.596 0.848 7.632 1.00 63.14 C ATOM 1615 C GLU A 105 -13.582 1.128 6.501 1.00 51.23 C ATOM 1616 O GLU A 105 -14.563 1.840 6.702 1.00 60.24 O ATOM 1617 CB GLU A 105 -11.214 1.402 7.301 1.00 20.33 C ATOM 1618 CG GLU A 105 -10.381 1.651 8.560 1.00 20.30 C ATOM 1619 CD GLU A 105 -10.407 3.127 8.969 1.00 4.21 C ATOM 1620 OE1 GLU A 105 -11.504 3.707 9.109 1.00 31.33 O ATOM 1621 OE2 GLU A 105 -9.327 3.729 9.134 1.00 63.15 O ATOM 0 H GLU A 105 -11.519 -0.909 7.880 1.00 1.12 H new ATOM 0 HA GLU A 105 -12.978 1.343 8.525 1.00 63.14 H new ATOM 0 HB2 GLU A 105 -10.689 0.702 6.651 1.00 20.33 H new ATOM 0 HB3 GLU A 105 -11.320 2.334 6.746 1.00 20.33 H new ATOM 0 HG2 GLU A 105 -10.763 1.039 9.377 1.00 20.30 H new ATOM 0 HG3 GLU A 105 -9.351 1.340 8.384 1.00 20.30 H new ATOM 1628 N LEU A 106 -13.363 0.539 5.320 1.00 62.45 N ATOM 1629 CA LEU A 106 -14.238 0.720 4.161 1.00 61.45 C ATOM 1630 C LEU A 106 -15.688 0.393 4.487 1.00 71.32 C ATOM 1631 O LEU A 106 -16.593 1.140 4.107 1.00 35.14 O ATOM 1632 CB LEU A 106 -13.754 -0.139 2.965 1.00 14.30 C ATOM 1633 CG LEU A 106 -13.403 0.667 1.703 1.00 60.11 C ATOM 1634 CD1 LEU A 106 -14.512 1.650 1.346 1.00 55.44 C ATOM 1635 CD2 LEU A 106 -12.061 1.377 1.857 1.00 44.24 C ATOM 0 H LEU A 106 -12.571 -0.078 5.143 1.00 62.45 H new ATOM 0 HA LEU A 106 -14.188 1.773 3.884 1.00 61.45 H new ATOM 0 HB2 LEU A 106 -12.877 -0.708 3.274 1.00 14.30 H new ATOM 0 HB3 LEU A 106 -14.531 -0.862 2.715 1.00 14.30 H new ATOM 0 HG LEU A 106 -13.311 -0.038 0.877 1.00 60.11 H new ATOM 0 HD11 LEU A 106 -14.233 2.204 0.450 1.00 55.44 H new ATOM 0 HD12 LEU A 106 -15.437 1.104 1.162 1.00 55.44 H new ATOM 0 HD13 LEU A 106 -14.660 2.346 2.171 1.00 55.44 H new ATOM 0 HD21 LEU A 106 -11.840 1.938 0.949 1.00 44.24 H new ATOM 0 HD22 LEU A 106 -12.106 2.061 2.705 1.00 44.24 H new ATOM 0 HD23 LEU A 106 -11.277 0.640 2.027 1.00 44.24 H new ATOM 1647 N ALA A 107 -15.884 -0.725 5.181 1.00 22.31 N ATOM 1648 CA ALA A 107 -17.193 -1.237 5.529 1.00 55.34 C ATOM 1649 C ALA A 107 -17.873 -0.347 6.575 1.00 3.13 C ATOM 1650 O ALA A 107 -19.101 -0.256 6.591 1.00 35.23 O ATOM 1651 CB ALA A 107 -17.032 -2.673 6.034 1.00 21.33 C ATOM 0 H ALA A 107 -15.118 -1.307 5.521 1.00 22.31 H new ATOM 0 HA ALA A 107 -17.837 -1.233 4.650 1.00 55.34 H new ATOM 0 HB1 ALA A 107 -18.009 -3.076 6.301 1.00 21.33 H new ATOM 0 HB2 ALA A 107 -16.588 -3.287 5.250 1.00 21.33 H new ATOM 0 HB3 ALA A 107 -16.384 -2.680 6.911 1.00 21.33 H new ATOM 1657 N SER A 108 -17.118 0.296 7.470 1.00 60.13 N ATOM 1658 CA SER A 108 -17.654 1.183 8.491 1.00 23.54 C ATOM 1659 C SER A 108 -17.913 2.578 7.911 1.00 44.14 C ATOM 1660 O SER A 108 -18.888 3.222 8.286 1.00 23.52 O ATOM 1661 CB SER A 108 -16.690 1.208 9.683 1.00 53.41 C ATOM 1662 OG SER A 108 -17.382 1.471 10.891 1.00 73.22 O ATOM 0 H SER A 108 -16.102 0.210 7.501 1.00 60.13 H new ATOM 0 HA SER A 108 -18.617 0.815 8.843 1.00 23.54 H new ATOM 0 HB2 SER A 108 -16.173 0.251 9.757 1.00 53.41 H new ATOM 0 HB3 SER A 108 -15.928 1.971 9.523 1.00 53.41 H new ATOM 0 HG SER A 108 -16.746 1.480 11.637 1.00 73.22 H new ATOM 1668 N ALA A 109 -17.094 3.048 6.966 1.00 71.52 N ATOM 1669 CA ALA A 109 -17.248 4.351 6.321 1.00 35.44 C ATOM 1670 C ALA A 109 -18.483 4.435 5.420 1.00 31.52 C ATOM 1671 O ALA A 109 -18.918 5.537 5.070 1.00 14.00 O ATOM 1672 CB ALA A 109 -15.994 4.633 5.497 1.00 32.14 C ATOM 0 H ALA A 109 -16.290 2.522 6.623 1.00 71.52 H new ATOM 0 HA ALA A 109 -17.385 5.095 7.106 1.00 35.44 H new ATOM 0 HB1 ALA A 109 -16.091 5.602 5.008 1.00 32.14 H new ATOM 0 HB2 ALA A 109 -15.123 4.642 6.152 1.00 32.14 H new ATOM 0 HB3 ALA A 109 -15.872 3.856 4.742 1.00 32.14 H new ATOM 1678 N GLY A 110 -19.038 3.287 5.021 1.00 52.04 N ATOM 1679 CA GLY A 110 -20.178 3.239 4.125 1.00 53.23 C ATOM 1680 C GLY A 110 -19.780 3.551 2.686 1.00 32.22 C ATOM 1681 O GLY A 110 -20.600 4.125 1.971 1.00 55.14 O ATOM 0 H GLY A 110 -18.704 2.369 5.315 1.00 52.04 H new ATOM 0 HA2 GLY A 110 -20.634 2.250 4.170 1.00 53.23 H new ATOM 0 HA3 GLY A 110 -20.932 3.953 4.457 1.00 53.23 H new ATOM 1685 N LYS A 111 -18.540 3.247 2.268 1.00 42.35 N ATOM 1686 CA LYS A 111 -18.073 3.476 0.893 1.00 53.53 C ATOM 1687 C LYS A 111 -17.722 2.134 0.253 1.00 15.53 C ATOM 1688 O LYS A 111 -18.064 1.075 0.787 1.00 12.30 O ATOM 1689 CB LYS A 111 -16.897 4.475 0.851 1.00 41.31 C ATOM 1690 CG LYS A 111 -17.084 5.769 1.660 1.00 1.32 C ATOM 1691 CD LYS A 111 -18.251 6.607 1.131 1.00 52.44 C ATOM 1692 CE LYS A 111 -18.386 7.906 1.923 1.00 24.01 C ATOM 1693 NZ LYS A 111 -19.772 8.420 1.835 1.00 71.41 N ATOM 0 H LYS A 111 -17.833 2.835 2.876 1.00 42.35 H new ATOM 0 HA LYS A 111 -18.873 3.935 0.312 1.00 53.53 H new ATOM 0 HB2 LYS A 111 -16.003 3.969 1.214 1.00 41.31 H new ATOM 0 HB3 LYS A 111 -16.711 4.744 -0.189 1.00 41.31 H new ATOM 0 HG2 LYS A 111 -17.260 5.521 2.707 1.00 1.32 H new ATOM 0 HG3 LYS A 111 -16.167 6.357 1.621 1.00 1.32 H new ATOM 0 HD2 LYS A 111 -18.094 6.833 0.076 1.00 52.44 H new ATOM 0 HD3 LYS A 111 -19.176 6.035 1.200 1.00 52.44 H new ATOM 0 HE2 LYS A 111 -18.121 7.733 2.966 1.00 24.01 H new ATOM 0 HE3 LYS A 111 -17.690 8.650 1.536 1.00 24.01 H new ATOM 0 HZ1 LYS A 111 -19.850 9.304 2.378 1.00 71.41 H new ATOM 0 HZ2 LYS A 111 -20.012 8.603 0.840 1.00 71.41 H new ATOM 0 HZ3 LYS A 111 -20.429 7.715 2.225 1.00 71.41 H new ATOM 1707 N SER A 112 -17.013 2.140 -0.872 1.00 62.03 N ATOM 1708 CA SER A 112 -16.456 0.938 -1.472 1.00 53.51 C ATOM 1709 C SER A 112 -15.081 1.218 -2.043 1.00 1.54 C ATOM 1710 O SER A 112 -14.697 2.358 -2.313 1.00 3.23 O ATOM 1711 CB SER A 112 -17.397 0.406 -2.544 1.00 43.21 C ATOM 1712 OG SER A 112 -18.651 0.082 -1.967 1.00 73.43 O ATOM 0 H SER A 112 -16.808 2.991 -1.396 1.00 62.03 H new ATOM 0 HA SER A 112 -16.348 0.175 -0.701 1.00 53.51 H new ATOM 0 HB2 SER A 112 -17.529 1.152 -3.327 1.00 43.21 H new ATOM 0 HB3 SER A 112 -16.964 -0.477 -3.015 1.00 43.21 H new ATOM 0 HG SER A 112 -19.253 -0.258 -2.662 1.00 73.43 H new ATOM 1718 N ARG A 113 -14.317 0.141 -2.202 1.00 23.02 N ATOM 1719 CA ARG A 113 -13.078 0.180 -2.958 1.00 60.43 C ATOM 1720 C ARG A 113 -13.389 0.612 -4.383 1.00 41.13 C ATOM 1721 O ARG A 113 -12.683 1.455 -4.941 1.00 43.42 O ATOM 1722 CB ARG A 113 -12.425 -1.211 -2.929 1.00 20.33 C ATOM 1723 CG ARG A 113 -11.969 -1.582 -1.518 1.00 12.54 C ATOM 1724 CD ARG A 113 -10.799 -2.568 -1.596 1.00 22.01 C ATOM 1725 NE ARG A 113 -10.337 -2.924 -0.255 1.00 11.21 N ATOM 1726 CZ ARG A 113 -9.774 -2.057 0.604 1.00 13.30 C ATOM 1727 NH1 ARG A 113 -9.209 -0.943 0.154 1.00 52.11 N ATOM 1728 NH2 ARG A 113 -9.798 -2.266 1.914 1.00 32.10 N ATOM 0 H ARG A 113 -14.541 -0.775 -1.812 1.00 23.02 H new ATOM 0 HA ARG A 113 -12.380 0.894 -2.520 1.00 60.43 H new ATOM 0 HB2 ARG A 113 -13.134 -1.955 -3.292 1.00 20.33 H new ATOM 0 HB3 ARG A 113 -11.571 -1.228 -3.606 1.00 20.33 H new ATOM 0 HG2 ARG A 113 -11.667 -0.686 -0.976 1.00 12.54 H new ATOM 0 HG3 ARG A 113 -12.795 -2.026 -0.963 1.00 12.54 H new ATOM 0 HD2 ARG A 113 -11.108 -3.466 -2.131 1.00 22.01 H new ATOM 0 HD3 ARG A 113 -9.980 -2.125 -2.163 1.00 22.01 H new ATOM 0 HE ARG A 113 -10.449 -3.892 0.048 1.00 11.21 H new ATOM 0 HH11 ARG A 113 -9.201 -0.743 -0.846 1.00 52.11 H new ATOM 0 HH12 ARG A 113 -8.783 -0.287 0.808 1.00 52.11 H new ATOM 0 HH21 ARG A 113 -10.251 -3.099 2.289 1.00 32.10 H new ATOM 0 HH22 ARG A 113 -9.364 -1.593 2.546 1.00 32.10 H new ATOM 1742 N ASP A 114 -14.397 -0.031 -4.968 1.00 11.22 N ATOM 1743 CA ASP A 114 -14.748 0.131 -6.372 1.00 62.23 C ATOM 1744 C ASP A 114 -15.372 1.512 -6.593 1.00 35.23 C ATOM 1745 O ASP A 114 -16.008 2.035 -5.674 1.00 71.25 O ATOM 1746 CB ASP A 114 -15.700 -0.995 -6.811 1.00 25.02 C ATOM 1747 CG ASP A 114 -14.933 -2.143 -7.468 1.00 31.43 C ATOM 1748 OD1 ASP A 114 -14.452 -1.945 -8.613 1.00 4.21 O ATOM 1749 OD2 ASP A 114 -14.803 -3.202 -6.808 1.00 4.23 O ATOM 0 H ASP A 114 -14.999 -0.687 -4.471 1.00 11.22 H new ATOM 0 HA ASP A 114 -13.849 0.064 -6.984 1.00 62.23 H new ATOM 0 HB2 ASP A 114 -16.249 -1.369 -5.946 1.00 25.02 H new ATOM 0 HB3 ASP A 114 -16.437 -0.600 -7.510 1.00 25.02 H new ATOM 1754 N PRO A 115 -15.223 2.101 -7.794 1.00 64.03 N ATOM 1755 CA PRO A 115 -15.652 3.458 -8.097 1.00 33.21 C ATOM 1756 C PRO A 115 -17.156 3.644 -7.955 1.00 55.51 C ATOM 1757 O PRO A 115 -17.585 4.632 -7.350 1.00 64.31 O ATOM 1758 CB PRO A 115 -15.149 3.755 -9.516 1.00 63.01 C ATOM 1759 CG PRO A 115 -14.932 2.375 -10.138 1.00 13.51 C ATOM 1760 CD PRO A 115 -14.559 1.512 -8.942 1.00 54.41 C ATOM 0 HA PRO A 115 -15.233 4.166 -7.382 1.00 33.21 H new ATOM 0 HB2 PRO A 115 -15.877 4.336 -10.082 1.00 63.01 H new ATOM 0 HB3 PRO A 115 -14.225 4.333 -9.497 1.00 63.01 H new ATOM 0 HG2 PRO A 115 -15.832 2.010 -10.633 1.00 13.51 H new ATOM 0 HG3 PRO A 115 -14.140 2.390 -10.887 1.00 13.51 H new ATOM 0 HD2 PRO A 115 -14.880 0.481 -9.091 1.00 54.41 H new ATOM 0 HD3 PRO A 115 -13.479 1.492 -8.799 1.00 54.41 H new