USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 946 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 36 HIS : no HE2:sc= -0.205 K(o=1.2,f=-1.4) USER MOD Set 1.2: A 87 TYR OH : rot -143:sc= 1.39 USER MOD Set 2.1: A 9 GLN :FLIP amide:sc= 0.218 F(o=0.37,f=1.2) USER MOD Set 2.2: A 11 HIS : no HD1:sc= -0.335 K(o=1.2,f=-1.8) USER MOD Set 2.3: A 18 THR OG1 : rot -68:sc= 1.3 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0429 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) 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 -52:sc= 0.00426 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 45:sc= 0.779 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -80:sc= 1.24 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 51 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.015) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 1 (180deg=0.994) USER MOD Single : A 56 ASN : amide:sc= -0.332 K(o=-0.33,f=-3.4!) USER MOD Single : A 67 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.48) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= 1.26 (180deg=0.931) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= -0.11 X(o=-0.11,f=-0.55) USER MOD Single : A 80 SER OG : rot -71:sc= 0.97 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.08 USER MOD Single : A 89 TYR OH : rot -67:sc= 1.1 USER MOD Single : A 93 THR OG1 : rot -38:sc= 0.96 USER MOD Single : A 95 LYS NZ :NH3+ 162:sc= -0.0155 (180deg=-0.182) USER MOD Single : A 97 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.13) 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 170:sc= 0.577 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -178:sc= 0 (180deg=-0.0104) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.603 0.299 12.978 1.00 63.51 N ATOM 2 CA GLY A 1 19.918 -0.718 12.175 1.00 60.53 C ATOM 3 C GLY A 1 19.030 -0.048 11.144 1.00 21.13 C ATOM 4 O GLY A 1 18.443 0.995 11.424 1.00 4.23 O ATOM 0 H1 GLY A 1 20.628 -0.003 13.973 1.00 63.51 H new ATOM 0 H2 GLY A 1 21.575 0.420 12.629 1.00 63.51 H new ATOM 0 H3 GLY A 1 20.093 1.202 12.903 1.00 63.51 H new ATOM 0 HA2 GLY A 1 20.649 -1.356 11.679 1.00 60.53 H new ATOM 0 HA3 GLY A 1 19.320 -1.361 12.820 1.00 60.53 H new ATOM 8 N MET A 2 18.931 -0.638 9.955 1.00 41.13 N ATOM 9 CA MET A 2 18.004 -0.258 8.888 1.00 14.15 C ATOM 10 C MET A 2 17.512 -1.544 8.213 1.00 40.31 C ATOM 11 O MET A 2 18.197 -2.568 8.268 1.00 11.12 O ATOM 12 CB MET A 2 18.675 0.734 7.931 1.00 35.41 C ATOM 13 CG MET A 2 19.771 0.040 7.138 1.00 63.21 C ATOM 14 SD MET A 2 21.276 0.997 6.856 1.00 75.11 S ATOM 15 CE MET A 2 22.162 0.635 8.392 1.00 1.33 C ATOM 0 H MET A 2 19.520 -1.429 9.696 1.00 41.13 H new ATOM 0 HA MET A 2 17.132 0.267 9.278 1.00 14.15 H new ATOM 0 HB2 MET A 2 17.933 1.152 7.251 1.00 35.41 H new ATOM 0 HB3 MET A 2 19.096 1.566 8.495 1.00 35.41 H new ATOM 0 HG2 MET A 2 20.041 -0.879 7.658 1.00 63.21 H new ATOM 0 HG3 MET A 2 19.363 -0.250 6.170 1.00 63.21 H new ATOM 0 HE1 MET A 2 23.123 1.150 8.388 1.00 1.33 H new ATOM 0 HE2 MET A 2 21.571 0.976 9.242 1.00 1.33 H new ATOM 0 HE3 MET A 2 22.327 -0.439 8.472 1.00 1.33 H new ATOM 25 N ARG A 3 16.345 -1.537 7.581 1.00 14.04 N ATOM 26 CA ARG A 3 15.818 -2.668 6.829 1.00 35.44 C ATOM 27 C ARG A 3 15.783 -2.248 5.368 1.00 21.15 C ATOM 28 O ARG A 3 14.805 -1.654 4.931 1.00 4.03 O ATOM 29 CB ARG A 3 14.443 -3.033 7.399 1.00 75.34 C ATOM 30 CG ARG A 3 14.555 -3.903 8.655 1.00 51.31 C ATOM 31 CD ARG A 3 14.348 -5.392 8.353 1.00 55.14 C ATOM 32 NE ARG A 3 15.512 -6.104 7.789 1.00 63.52 N ATOM 33 CZ ARG A 3 15.822 -7.397 7.985 1.00 14.32 C ATOM 34 NH1 ARG A 3 15.039 -8.197 8.710 1.00 51.10 N ATOM 35 NH2 ARG A 3 16.920 -7.890 7.431 1.00 12.15 N ATOM 0 H ARG A 3 15.725 -0.727 7.577 1.00 14.04 H new ATOM 0 HA ARG A 3 16.433 -3.565 6.909 1.00 35.44 H new ATOM 0 HB2 ARG A 3 13.896 -2.121 7.637 1.00 75.34 H new ATOM 0 HB3 ARG A 3 13.865 -3.563 6.641 1.00 75.34 H new ATOM 0 HG2 ARG A 3 15.536 -3.759 9.107 1.00 51.31 H new ATOM 0 HG3 ARG A 3 13.816 -3.577 9.387 1.00 51.31 H new ATOM 0 HD2 ARG A 3 14.053 -5.892 9.275 1.00 55.14 H new ATOM 0 HD3 ARG A 3 13.515 -5.489 7.657 1.00 55.14 H new ATOM 0 HE ARG A 3 16.140 -5.563 7.194 1.00 63.52 H new ATOM 0 HH11 ARG A 3 14.184 -7.831 9.129 1.00 51.10 H new ATOM 0 HH12 ARG A 3 15.295 -9.175 8.845 1.00 51.10 H new ATOM 0 HH21 ARG A 3 17.519 -7.290 6.864 1.00 12.15 H new ATOM 0 HH22 ARG A 3 17.167 -8.870 7.572 1.00 12.15 H new ATOM 49 N ILE A 4 16.866 -2.495 4.634 1.00 34.22 N ATOM 50 CA ILE A 4 16.957 -2.182 3.205 1.00 11.13 C ATOM 51 C ILE A 4 16.711 -3.498 2.458 1.00 15.25 C ATOM 52 O ILE A 4 17.231 -4.533 2.889 1.00 52.10 O ATOM 53 CB ILE A 4 18.303 -1.497 2.861 1.00 43.43 C ATOM 54 CG1 ILE A 4 18.375 -0.128 3.567 1.00 42.20 C ATOM 55 CG2 ILE A 4 18.468 -1.248 1.351 1.00 2.01 C ATOM 56 CD1 ILE A 4 19.748 0.556 3.523 1.00 12.15 C ATOM 0 H ILE A 4 17.712 -2.920 5.014 1.00 34.22 H new ATOM 0 HA ILE A 4 16.208 -1.452 2.897 1.00 11.13 H new ATOM 0 HB ILE A 4 19.094 -2.169 3.194 1.00 43.43 H new ATOM 0 HG12 ILE A 4 17.641 0.537 3.112 1.00 42.20 H new ATOM 0 HG13 ILE A 4 18.085 -0.259 4.609 1.00 42.20 H new ATOM 0 HG21 ILE A 4 19.428 -0.766 1.164 1.00 2.01 H new ATOM 0 HG22 ILE A 4 18.430 -2.199 0.819 1.00 2.01 H new ATOM 0 HG23 ILE A 4 17.663 -0.603 0.999 1.00 2.01 H new ATOM 0 HD11 ILE A 4 19.696 1.511 4.046 1.00 12.15 H new ATOM 0 HD12 ILE A 4 20.488 -0.082 4.006 1.00 12.15 H new ATOM 0 HD13 ILE A 4 20.037 0.726 2.486 1.00 12.15 H new ATOM 68 N PRO A 5 15.861 -3.523 1.422 1.00 35.13 N ATOM 69 CA PRO A 5 15.611 -4.701 0.604 1.00 40.24 C ATOM 70 C PRO A 5 16.736 -4.916 -0.395 1.00 3.35 C ATOM 71 O PRO A 5 17.628 -4.085 -0.558 1.00 44.53 O ATOM 72 CB PRO A 5 14.286 -4.414 -0.115 1.00 23.15 C ATOM 73 CG PRO A 5 14.340 -2.907 -0.290 1.00 50.11 C ATOM 74 CD PRO A 5 15.037 -2.423 0.972 1.00 14.14 C ATOM 0 HA PRO A 5 15.559 -5.610 1.204 1.00 40.24 H new ATOM 0 HB2 PRO A 5 14.220 -4.933 -1.071 1.00 23.15 H new ATOM 0 HB3 PRO A 5 13.425 -4.725 0.477 1.00 23.15 H new ATOM 0 HG2 PRO A 5 14.894 -2.627 -1.186 1.00 50.11 H new ATOM 0 HG3 PRO A 5 13.342 -2.479 -0.386 1.00 50.11 H new ATOM 0 HD2 PRO A 5 15.643 -1.540 0.768 1.00 14.14 H new ATOM 0 HD3 PRO A 5 14.311 -2.142 1.735 1.00 14.14 H new ATOM 82 N SER A 6 16.647 -6.034 -1.099 1.00 64.22 N ATOM 83 CA SER A 6 17.444 -6.290 -2.289 1.00 3.12 C ATOM 84 C SER A 6 16.547 -6.632 -3.476 1.00 70.00 C ATOM 85 O SER A 6 16.965 -6.479 -4.629 1.00 34.15 O ATOM 86 CB SER A 6 18.428 -7.423 -2.012 1.00 71.00 C ATOM 87 OG SER A 6 18.961 -7.357 -0.695 1.00 61.12 O ATOM 0 H SER A 6 16.014 -6.796 -0.858 1.00 64.22 H new ATOM 0 HA SER A 6 18.003 -5.389 -2.542 1.00 3.12 H new ATOM 0 HB2 SER A 6 17.927 -8.381 -2.152 1.00 71.00 H new ATOM 0 HB3 SER A 6 19.243 -7.380 -2.735 1.00 71.00 H new ATOM 0 HG SER A 6 19.585 -8.100 -0.557 1.00 61.12 H new ATOM 93 N ALA A 7 15.323 -7.104 -3.200 1.00 21.35 N ATOM 94 CA ALA A 7 14.319 -7.372 -4.212 1.00 33.21 C ATOM 95 C ALA A 7 13.357 -6.190 -4.258 1.00 4.23 C ATOM 96 O ALA A 7 12.584 -6.019 -3.315 1.00 74.14 O ATOM 97 CB ALA A 7 13.588 -8.681 -3.876 1.00 43.20 C ATOM 0 H ALA A 7 15.009 -7.310 -2.252 1.00 21.35 H new ATOM 0 HA ALA A 7 14.778 -7.492 -5.193 1.00 33.21 H new ATOM 0 HB1 ALA A 7 12.834 -8.882 -4.637 1.00 43.20 H new ATOM 0 HB2 ALA A 7 14.305 -9.502 -3.850 1.00 43.20 H new ATOM 0 HB3 ALA A 7 13.106 -8.589 -2.903 1.00 43.20 H new ATOM 103 N ILE A 8 13.397 -5.398 -5.333 1.00 1.32 N ATOM 104 CA ILE A 8 12.318 -4.491 -5.696 1.00 45.53 C ATOM 105 C ILE A 8 11.672 -5.076 -6.948 1.00 10.42 C ATOM 106 O ILE A 8 12.020 -4.726 -8.085 1.00 11.13 O ATOM 107 CB ILE A 8 12.767 -3.028 -5.910 1.00 73.23 C ATOM 108 CG1 ILE A 8 13.751 -2.447 -4.887 1.00 61.43 C ATOM 109 CG2 ILE A 8 11.493 -2.164 -6.000 1.00 41.34 C ATOM 110 CD1 ILE A 8 13.268 -2.504 -3.444 1.00 23.02 C ATOM 0 H ILE A 8 14.187 -5.372 -5.977 1.00 1.32 H new ATOM 0 HA ILE A 8 11.610 -4.421 -4.870 1.00 45.53 H new ATOM 0 HB ILE A 8 13.352 -3.019 -6.830 1.00 73.23 H new ATOM 0 HG12 ILE A 8 14.695 -2.987 -4.963 1.00 61.43 H new ATOM 0 HG13 ILE A 8 13.956 -1.409 -5.148 1.00 61.43 H new ATOM 0 HG21 ILE A 8 11.771 -1.121 -6.152 1.00 41.34 H new ATOM 0 HG22 ILE A 8 10.882 -2.502 -6.837 1.00 41.34 H new ATOM 0 HG23 ILE A 8 10.924 -2.257 -5.075 1.00 41.34 H new ATOM 0 HD11 ILE A 8 14.025 -2.072 -2.790 1.00 23.02 H new ATOM 0 HD12 ILE A 8 12.341 -1.939 -3.348 1.00 23.02 H new ATOM 0 HD13 ILE A 8 13.092 -3.541 -3.160 1.00 23.02 H new ATOM 122 N GLN A 9 10.732 -5.987 -6.727 1.00 43.23 N ATOM 123 CA GLN A 9 9.835 -6.475 -7.761 1.00 41.21 C ATOM 124 C GLN A 9 8.520 -5.729 -7.548 1.00 62.34 C ATOM 125 O GLN A 9 7.994 -5.736 -6.438 1.00 51.32 O ATOM 126 CB GLN A 9 9.678 -8.000 -7.626 1.00 22.02 C ATOM 127 CG GLN A 9 10.681 -8.790 -8.475 1.00 72.22 C ATOM 128 CD GLN A 9 10.772 -10.289 -8.136 1.00 70.20 C ATOM 129 OE1 GLN A 9 9.818 -10.870 -7.424 1.00 64.32 O flip ATOM 130 NE2 GLN A 9 11.712 -10.971 -8.537 1.00 42.24 N flip ATOM 0 H GLN A 9 10.571 -6.411 -5.813 1.00 43.23 H new ATOM 0 HA GLN A 9 10.207 -6.296 -8.770 1.00 41.21 H new ATOM 0 HB2 GLN A 9 9.799 -8.280 -6.579 1.00 22.02 H new ATOM 0 HB3 GLN A 9 8.666 -8.281 -7.916 1.00 22.02 H new ATOM 0 HG2 GLN A 9 10.409 -8.685 -9.525 1.00 72.22 H new ATOM 0 HG3 GLN A 9 11.668 -8.344 -8.355 1.00 72.22 H new ATOM 0 HE21 GLN A 9 12.456 -10.541 -9.087 1.00 42.24 H new ATOM 0 HE22 GLN A 9 11.748 -11.967 -8.320 1.00 42.24 H new ATOM 139 N LEU A 10 8.003 -5.056 -8.579 1.00 14.32 N ATOM 140 CA LEU A 10 6.658 -4.479 -8.589 1.00 52.20 C ATOM 141 C LEU A 10 5.669 -5.338 -9.375 1.00 63.03 C ATOM 142 O LEU A 10 4.503 -4.961 -9.480 1.00 72.43 O ATOM 143 CB LEU A 10 6.672 -3.052 -9.164 1.00 74.44 C ATOM 144 CG LEU A 10 6.704 -2.871 -10.694 1.00 12.44 C ATOM 145 CD1 LEU A 10 6.528 -1.386 -11.036 1.00 2.43 C ATOM 146 CD2 LEU A 10 8.000 -3.402 -11.313 1.00 73.43 C ATOM 0 H LEU A 10 8.517 -4.894 -9.445 1.00 14.32 H new ATOM 0 HA LEU A 10 6.327 -4.445 -7.551 1.00 52.20 H new ATOM 0 HB2 LEU A 10 5.789 -2.536 -8.789 1.00 74.44 H new ATOM 0 HB3 LEU A 10 7.541 -2.538 -8.752 1.00 74.44 H new ATOM 0 HG LEU A 10 5.884 -3.452 -11.116 1.00 12.44 H new ATOM 0 HD11 LEU A 10 6.550 -1.257 -12.118 1.00 2.43 H new ATOM 0 HD12 LEU A 10 5.572 -1.034 -10.648 1.00 2.43 H new ATOM 0 HD13 LEU A 10 7.336 -0.810 -10.585 1.00 2.43 H new ATOM 0 HD21 LEU A 10 7.976 -3.252 -12.392 1.00 73.43 H new ATOM 0 HD22 LEU A 10 8.851 -2.867 -10.891 1.00 73.43 H new ATOM 0 HD23 LEU A 10 8.097 -4.466 -11.096 1.00 73.43 H new ATOM 158 N HIS A 11 6.165 -6.425 -9.983 1.00 72.22 N ATOM 159 CA HIS A 11 5.437 -7.357 -10.828 1.00 3.34 C ATOM 160 C HIS A 11 4.532 -6.611 -11.801 1.00 50.44 C ATOM 161 O HIS A 11 3.315 -6.611 -11.624 1.00 23.23 O ATOM 162 CB HIS A 11 4.685 -8.417 -10.010 1.00 53.55 C ATOM 163 CG HIS A 11 5.588 -9.449 -9.396 1.00 34.14 C ATOM 164 ND1 HIS A 11 5.852 -10.705 -9.900 1.00 13.13 N ATOM 165 CD2 HIS A 11 6.272 -9.322 -8.222 1.00 42.12 C ATOM 166 CE1 HIS A 11 6.719 -11.304 -9.076 1.00 24.44 C ATOM 167 NE2 HIS A 11 7.029 -10.487 -8.066 1.00 74.43 N ATOM 0 H HIS A 11 7.147 -6.685 -9.886 1.00 72.22 H new ATOM 0 HA HIS A 11 6.166 -7.908 -11.423 1.00 3.34 H new ATOM 0 HB2 HIS A 11 4.121 -7.922 -9.219 1.00 53.55 H new ATOM 0 HB3 HIS A 11 3.961 -8.916 -10.654 1.00 53.55 H new ATOM 0 HD2 HIS A 11 6.236 -8.483 -7.544 1.00 42.12 H new ATOM 0 HE1 HIS A 11 7.111 -12.302 -9.208 1.00 24.44 H new ATOM 0 HE2 HIS A 11 7.696 -10.678 -7.318 1.00 74.43 H new ATOM 175 N LYS A 12 5.083 -5.973 -12.841 1.00 72.32 N ATOM 176 CA LYS A 12 4.271 -5.188 -13.782 1.00 72.11 C ATOM 177 C LYS A 12 3.120 -5.993 -14.394 1.00 74.42 C ATOM 178 O LYS A 12 2.112 -5.394 -14.769 1.00 21.10 O ATOM 179 CB LYS A 12 5.147 -4.572 -14.883 1.00 10.12 C ATOM 180 CG LYS A 12 5.697 -3.198 -14.491 1.00 33.42 C ATOM 181 CD LYS A 12 4.669 -2.062 -14.640 1.00 54.52 C ATOM 182 CE LYS A 12 4.950 -1.211 -15.884 1.00 31.32 C ATOM 183 NZ LYS A 12 4.507 -1.818 -17.163 1.00 24.22 N ATOM 0 H LYS A 12 6.081 -5.984 -13.052 1.00 72.32 H new ATOM 0 HA LYS A 12 3.818 -4.385 -13.201 1.00 72.11 H new ATOM 0 HB2 LYS A 12 5.977 -5.244 -15.101 1.00 10.12 H new ATOM 0 HB3 LYS A 12 4.563 -4.479 -15.799 1.00 10.12 H new ATOM 0 HG2 LYS A 12 6.040 -3.234 -13.457 1.00 33.42 H new ATOM 0 HG3 LYS A 12 6.567 -2.974 -15.108 1.00 33.42 H new ATOM 0 HD2 LYS A 12 3.666 -2.484 -14.705 1.00 54.52 H new ATOM 0 HD3 LYS A 12 4.692 -1.430 -13.752 1.00 54.52 H new ATOM 0 HE2 LYS A 12 4.458 -0.246 -15.766 1.00 31.32 H new ATOM 0 HE3 LYS A 12 6.021 -1.018 -15.941 1.00 31.32 H new ATOM 0 HZ1 LYS A 12 4.736 -1.177 -17.949 1.00 24.22 H new ATOM 0 HZ2 LYS A 12 4.995 -2.726 -17.304 1.00 24.22 H new ATOM 0 HZ3 LYS A 12 3.480 -1.978 -17.134 1.00 24.22 H new ATOM 197 N ALA A 13 3.218 -7.324 -14.418 1.00 14.13 N ATOM 198 CA ALA A 13 2.125 -8.217 -14.762 1.00 41.12 C ATOM 199 C ALA A 13 0.852 -7.927 -13.957 1.00 31.00 C ATOM 200 O ALA A 13 -0.220 -7.822 -14.547 1.00 42.32 O ATOM 201 CB ALA A 13 2.572 -9.652 -14.508 1.00 65.42 C ATOM 0 H ALA A 13 4.083 -7.816 -14.192 1.00 14.13 H new ATOM 0 HA ALA A 13 1.881 -8.061 -15.813 1.00 41.12 H new ATOM 0 HB1 ALA A 13 1.762 -10.336 -14.762 1.00 65.42 H new ATOM 0 HB2 ALA A 13 3.443 -9.876 -15.124 1.00 65.42 H new ATOM 0 HB3 ALA A 13 2.832 -9.771 -13.456 1.00 65.42 H new ATOM 207 N SER A 14 0.945 -7.805 -12.628 1.00 24.22 N ATOM 208 CA SER A 14 -0.203 -7.755 -11.720 1.00 63.05 C ATOM 209 C SER A 14 0.050 -6.818 -10.523 1.00 53.12 C ATOM 210 O SER A 14 -0.449 -7.042 -9.422 1.00 3.20 O ATOM 211 CB SER A 14 -0.573 -9.190 -11.316 1.00 24.43 C ATOM 212 OG SER A 14 -1.919 -9.249 -10.892 1.00 31.11 O ATOM 0 H SER A 14 1.841 -7.737 -12.145 1.00 24.22 H new ATOM 0 HA SER A 14 -1.061 -7.318 -12.230 1.00 63.05 H new ATOM 0 HB2 SER A 14 -0.421 -9.863 -12.160 1.00 24.43 H new ATOM 0 HB3 SER A 14 0.083 -9.530 -10.515 1.00 24.43 H new ATOM 0 HG SER A 14 -2.074 -8.572 -10.201 1.00 31.11 H new ATOM 218 N LYS A 15 0.824 -5.750 -10.740 1.00 25.43 N ATOM 219 CA LYS A 15 1.089 -4.641 -9.829 1.00 42.52 C ATOM 220 C LYS A 15 1.395 -5.050 -8.380 1.00 62.22 C ATOM 221 O LYS A 15 1.087 -4.308 -7.448 1.00 43.53 O ATOM 222 CB LYS A 15 -0.055 -3.620 -9.942 1.00 3.31 C ATOM 223 CG LYS A 15 -0.360 -3.069 -11.343 1.00 61.35 C ATOM 224 CD LYS A 15 -1.501 -3.790 -12.051 1.00 12.20 C ATOM 225 CE LYS A 15 -2.382 -2.831 -12.868 1.00 64.41 C ATOM 226 NZ LYS A 15 -1.730 -2.233 -14.051 1.00 34.23 N ATOM 0 H LYS A 15 1.317 -5.633 -11.625 1.00 25.43 H new ATOM 0 HA LYS A 15 2.023 -4.176 -10.144 1.00 42.52 H new ATOM 0 HB2 LYS A 15 -0.962 -4.083 -9.555 1.00 3.31 H new ATOM 0 HB3 LYS A 15 0.176 -2.778 -9.289 1.00 3.31 H new ATOM 0 HG2 LYS A 15 -0.606 -2.010 -11.261 1.00 61.35 H new ATOM 0 HG3 LYS A 15 0.539 -3.141 -11.955 1.00 61.35 H new ATOM 0 HD2 LYS A 15 -1.090 -4.554 -12.711 1.00 12.20 H new ATOM 0 HD3 LYS A 15 -2.116 -4.304 -11.313 1.00 12.20 H new ATOM 0 HE2 LYS A 15 -3.271 -3.370 -13.196 1.00 64.41 H new ATOM 0 HE3 LYS A 15 -2.720 -2.027 -12.214 1.00 64.41 H new ATOM 0 HZ1 LYS A 15 -2.401 -1.603 -14.536 1.00 34.23 H new ATOM 0 HZ2 LYS A 15 -0.898 -1.687 -13.750 1.00 34.23 H new ATOM 0 HZ3 LYS A 15 -1.432 -2.988 -14.701 1.00 34.23 H new ATOM 240 N THR A 16 2.051 -6.183 -8.156 1.00 74.35 N ATOM 241 CA THR A 16 2.284 -6.724 -6.824 1.00 72.44 C ATOM 242 C THR A 16 3.697 -6.343 -6.349 1.00 74.33 C ATOM 243 O THR A 16 4.678 -6.622 -7.031 1.00 51.33 O ATOM 244 CB THR A 16 2.004 -8.232 -6.880 1.00 64.12 C ATOM 245 OG1 THR A 16 0.654 -8.467 -7.266 1.00 25.34 O ATOM 246 CG2 THR A 16 2.231 -8.911 -5.535 1.00 44.14 C ATOM 0 H THR A 16 2.440 -6.758 -8.904 1.00 74.35 H new ATOM 0 HA THR A 16 1.613 -6.301 -6.076 1.00 72.44 H new ATOM 0 HB THR A 16 2.698 -8.650 -7.609 1.00 64.12 H new ATOM 0 HG1 THR A 16 0.422 -7.881 -8.017 1.00 25.34 H new ATOM 0 HG21 THR A 16 2.020 -9.977 -5.625 1.00 44.14 H new ATOM 0 HG22 THR A 16 3.267 -8.771 -5.227 1.00 44.14 H new ATOM 0 HG23 THR A 16 1.568 -8.472 -4.789 1.00 44.14 H new ATOM 254 N LEU A 17 3.800 -5.609 -5.240 1.00 44.33 N ATOM 255 CA LEU A 17 5.043 -5.192 -4.599 1.00 63.12 C ATOM 256 C LEU A 17 5.587 -6.365 -3.787 1.00 41.23 C ATOM 257 O LEU A 17 5.030 -6.687 -2.740 1.00 5.41 O ATOM 258 CB LEU A 17 4.783 -3.960 -3.703 1.00 4.32 C ATOM 259 CG LEU A 17 5.958 -3.570 -2.776 1.00 54.43 C ATOM 260 CD1 LEU A 17 7.258 -3.313 -3.542 1.00 61.32 C ATOM 261 CD2 LEU A 17 5.610 -2.293 -2.005 1.00 52.51 C ATOM 0 H LEU A 17 2.976 -5.274 -4.741 1.00 44.33 H new ATOM 0 HA LEU A 17 5.782 -4.906 -5.348 1.00 63.12 H new ATOM 0 HB2 LEU A 17 4.544 -3.109 -4.341 1.00 4.32 H new ATOM 0 HB3 LEU A 17 3.904 -4.155 -3.089 1.00 4.32 H new ATOM 0 HG LEU A 17 6.113 -4.414 -2.104 1.00 54.43 H new ATOM 0 HD11 LEU A 17 8.047 -3.043 -2.840 1.00 61.32 H new ATOM 0 HD12 LEU A 17 7.546 -4.215 -4.083 1.00 61.32 H new ATOM 0 HD13 LEU A 17 7.108 -2.498 -4.250 1.00 61.32 H new ATOM 0 HD21 LEU A 17 6.441 -2.023 -1.354 1.00 52.51 H new ATOM 0 HD22 LEU A 17 5.423 -1.482 -2.709 1.00 52.51 H new ATOM 0 HD23 LEU A 17 4.718 -2.463 -1.403 1.00 52.51 H new ATOM 273 N THR A 18 6.671 -6.990 -4.235 1.00 54.34 N ATOM 274 CA THR A 18 7.374 -7.978 -3.427 1.00 55.40 C ATOM 275 C THR A 18 8.260 -7.224 -2.443 1.00 20.01 C ATOM 276 O THR A 18 8.856 -6.218 -2.835 1.00 71.34 O ATOM 277 CB THR A 18 8.253 -8.854 -4.315 1.00 73.24 C ATOM 278 OG1 THR A 18 7.547 -9.336 -5.433 1.00 32.04 O ATOM 279 CG2 THR A 18 8.871 -10.040 -3.580 1.00 13.13 C ATOM 0 H THR A 18 7.082 -6.829 -5.155 1.00 54.34 H new ATOM 0 HA THR A 18 6.658 -8.613 -2.906 1.00 55.40 H new ATOM 0 HB THR A 18 9.061 -8.198 -4.638 1.00 73.24 H new ATOM 0 HG1 THR A 18 6.862 -9.971 -5.138 1.00 32.04 H new ATOM 0 HG21 THR A 18 9.483 -10.618 -4.272 1.00 13.13 H new ATOM 0 HG22 THR A 18 9.493 -9.677 -2.762 1.00 13.13 H new ATOM 0 HG23 THR A 18 8.079 -10.673 -3.180 1.00 13.13 H new ATOM 287 N LEU A 19 8.394 -7.725 -1.212 1.00 43.21 N ATOM 288 CA LEU A 19 9.420 -7.293 -0.271 1.00 34.21 C ATOM 289 C LEU A 19 9.859 -8.504 0.540 1.00 13.24 C ATOM 290 O LEU A 19 9.052 -9.086 1.266 1.00 52.31 O ATOM 291 CB LEU A 19 8.879 -6.191 0.652 1.00 52.23 C ATOM 292 CG LEU A 19 8.787 -4.788 0.028 1.00 61.00 C ATOM 293 CD1 LEU A 19 8.369 -3.820 1.137 1.00 33.34 C ATOM 294 CD2 LEU A 19 10.108 -4.280 -0.573 1.00 22.34 C ATOM 0 H LEU A 19 7.782 -8.452 -0.840 1.00 43.21 H new ATOM 0 HA LEU A 19 10.271 -6.878 -0.812 1.00 34.21 H new ATOM 0 HB2 LEU A 19 7.886 -6.483 0.994 1.00 52.23 H new ATOM 0 HB3 LEU A 19 9.516 -6.136 1.535 1.00 52.23 H new ATOM 0 HG LEU A 19 8.071 -4.844 -0.792 1.00 61.00 H new ATOM 0 HD11 LEU A 19 8.293 -2.812 0.730 1.00 33.34 H new ATOM 0 HD12 LEU A 19 7.402 -4.123 1.539 1.00 33.34 H new ATOM 0 HD13 LEU A 19 9.114 -3.835 1.933 1.00 33.34 H new ATOM 0 HD21 LEU A 19 9.958 -3.285 -0.992 1.00 22.34 H new ATOM 0 HD22 LEU A 19 10.869 -4.235 0.206 1.00 22.34 H new ATOM 0 HD23 LEU A 19 10.435 -4.960 -1.360 1.00 22.34 H new ATOM 306 N ARG A 20 11.130 -8.904 0.430 1.00 53.23 N ATOM 307 CA ARG A 20 11.622 -10.081 1.140 1.00 71.40 C ATOM 308 C ARG A 20 12.099 -9.717 2.547 1.00 0.45 C ATOM 309 O ARG A 20 13.282 -9.408 2.712 1.00 32.42 O ATOM 310 CB ARG A 20 12.685 -10.773 0.278 1.00 51.43 C ATOM 311 CG ARG A 20 12.985 -12.169 0.841 1.00 21.12 C ATOM 312 CD ARG A 20 13.927 -12.956 -0.058 1.00 73.33 C ATOM 313 NE ARG A 20 15.269 -12.357 -0.082 1.00 14.32 N ATOM 314 CZ ARG A 20 16.387 -13.026 -0.352 1.00 34.23 C ATOM 315 NH1 ARG A 20 16.350 -14.295 -0.755 1.00 75.10 N ATOM 316 NH2 ARG A 20 17.559 -12.422 -0.230 1.00 63.01 N ATOM 0 H ARG A 20 11.830 -8.431 -0.141 1.00 53.23 H new ATOM 0 HA ARG A 20 10.815 -10.797 1.295 1.00 71.40 H new ATOM 0 HB2 ARG A 20 12.335 -10.854 -0.751 1.00 51.43 H new ATOM 0 HB3 ARG A 20 13.596 -10.175 0.259 1.00 51.43 H new ATOM 0 HG2 ARG A 20 13.427 -12.073 1.833 1.00 21.12 H new ATOM 0 HG3 ARG A 20 12.052 -12.720 0.960 1.00 21.12 H new ATOM 0 HD2 ARG A 20 13.993 -13.986 0.293 1.00 73.33 H new ATOM 0 HD3 ARG A 20 13.524 -12.990 -1.070 1.00 73.33 H new ATOM 0 HE ARG A 20 15.349 -11.361 0.122 1.00 14.32 H new ATOM 0 HH11 ARG A 20 15.454 -14.770 -0.861 1.00 75.10 H new ATOM 0 HH12 ARG A 20 17.218 -14.791 -0.957 1.00 75.10 H new ATOM 0 HH21 ARG A 20 17.602 -11.448 0.070 1.00 63.01 H new ATOM 0 HH22 ARG A 20 18.419 -12.931 -0.436 1.00 63.01 H new ATOM 330 N TYR A 21 11.197 -9.600 3.523 1.00 15.32 N ATOM 331 CA TYR A 21 11.517 -9.211 4.886 1.00 11.12 C ATOM 332 C TYR A 21 12.436 -10.251 5.512 1.00 73.00 C ATOM 333 O TYR A 21 11.980 -11.319 5.919 1.00 23.15 O ATOM 334 CB TYR A 21 10.251 -9.004 5.724 1.00 54.13 C ATOM 335 CG TYR A 21 10.547 -8.435 7.101 1.00 44.33 C ATOM 336 CD1 TYR A 21 10.994 -9.271 8.143 1.00 11.13 C ATOM 337 CD2 TYR A 21 10.327 -7.073 7.368 1.00 52.12 C ATOM 338 CE1 TYR A 21 11.353 -8.735 9.389 1.00 1.31 C ATOM 339 CE2 TYR A 21 10.668 -6.518 8.612 1.00 64.44 C ATOM 340 CZ TYR A 21 11.235 -7.346 9.606 1.00 14.42 C ATOM 341 OH TYR A 21 11.622 -6.828 10.799 1.00 0.45 O ATOM 0 H TYR A 21 10.203 -9.778 3.378 1.00 15.32 H new ATOM 0 HA TYR A 21 12.037 -8.253 4.862 1.00 11.12 H new ATOM 0 HB2 TYR A 21 9.576 -8.332 5.195 1.00 54.13 H new ATOM 0 HB3 TYR A 21 9.732 -9.956 5.833 1.00 54.13 H new ATOM 0 HD1 TYR A 21 11.061 -10.337 7.981 1.00 11.13 H new ATOM 0 HD2 TYR A 21 9.890 -6.445 6.606 1.00 52.12 H new ATOM 0 HE1 TYR A 21 11.717 -9.380 10.175 1.00 1.31 H new ATOM 0 HE2 TYR A 21 10.499 -5.469 8.807 1.00 64.44 H new ATOM 0 HH TYR A 21 11.481 -5.858 10.796 1.00 0.45 H new ATOM 351 N GLY A 22 13.718 -9.907 5.628 1.00 41.14 N ATOM 352 CA GLY A 22 14.691 -10.805 6.205 1.00 21.53 C ATOM 353 C GLY A 22 14.743 -12.085 5.379 1.00 51.21 C ATOM 354 O GLY A 22 15.034 -12.025 4.182 1.00 34.52 O ATOM 0 H GLY A 22 14.098 -9.009 5.327 1.00 41.14 H new ATOM 0 HA2 GLY A 22 15.673 -10.332 6.227 1.00 21.53 H new ATOM 0 HA3 GLY A 22 14.425 -11.034 7.237 1.00 21.53 H new ATOM 358 N GLU A 23 14.488 -13.217 6.025 1.00 14.44 N ATOM 359 CA GLU A 23 14.580 -14.541 5.427 1.00 20.35 C ATOM 360 C GLU A 23 13.231 -14.943 4.798 1.00 34.21 C ATOM 361 O GLU A 23 13.131 -16.009 4.186 1.00 41.41 O ATOM 362 CB GLU A 23 14.976 -15.562 6.511 1.00 60.21 C ATOM 363 CG GLU A 23 16.161 -15.196 7.425 1.00 31.21 C ATOM 364 CD GLU A 23 17.578 -15.351 6.846 1.00 63.51 C ATOM 365 OE1 GLU A 23 17.833 -15.038 5.662 1.00 0.33 O ATOM 366 OE2 GLU A 23 18.475 -15.695 7.656 1.00 71.44 O ATOM 0 H GLU A 23 14.204 -13.238 7.005 1.00 14.44 H new ATOM 0 HA GLU A 23 15.337 -14.526 4.642 1.00 20.35 H new ATOM 0 HB2 GLU A 23 14.105 -15.739 7.142 1.00 60.21 H new ATOM 0 HB3 GLU A 23 15.209 -16.505 6.017 1.00 60.21 H new ATOM 0 HG2 GLU A 23 16.037 -14.159 7.738 1.00 31.21 H new ATOM 0 HG3 GLU A 23 16.095 -15.810 8.323 1.00 31.21 H new ATOM 373 N ASP A 24 12.184 -14.121 4.936 1.00 13.52 N ATOM 374 CA ASP A 24 10.792 -14.428 4.599 1.00 43.30 C ATOM 375 C ASP A 24 10.344 -13.492 3.474 1.00 2.51 C ATOM 376 O ASP A 24 10.978 -12.471 3.205 1.00 43.54 O ATOM 377 CB ASP A 24 9.891 -14.258 5.841 1.00 63.04 C ATOM 378 CG ASP A 24 9.855 -15.500 6.729 1.00 0.21 C ATOM 379 OD1 ASP A 24 10.775 -15.681 7.567 1.00 51.15 O ATOM 380 OD2 ASP A 24 8.895 -16.289 6.603 1.00 34.34 O ATOM 0 H ASP A 24 12.292 -13.176 5.305 1.00 13.52 H new ATOM 0 HA ASP A 24 10.710 -15.463 4.266 1.00 43.30 H new ATOM 0 HB2 ASP A 24 10.246 -13.410 6.427 1.00 63.04 H new ATOM 0 HB3 ASP A 24 8.878 -14.020 5.518 1.00 63.04 H new ATOM 385 N SER A 25 9.255 -13.825 2.785 1.00 54.45 N ATOM 386 CA SER A 25 8.799 -13.146 1.581 1.00 51.24 C ATOM 387 C SER A 25 7.338 -12.711 1.723 1.00 63.11 C ATOM 388 O SER A 25 6.557 -13.372 2.407 1.00 75.33 O ATOM 389 CB SER A 25 9.067 -14.043 0.358 1.00 54.44 C ATOM 390 OG SER A 25 9.368 -15.403 0.674 1.00 53.54 O ATOM 0 H SER A 25 8.649 -14.598 3.060 1.00 54.45 H new ATOM 0 HA SER A 25 9.362 -12.225 1.429 1.00 51.24 H new ATOM 0 HB2 SER A 25 8.192 -14.020 -0.292 1.00 54.44 H new ATOM 0 HB3 SER A 25 9.897 -13.623 -0.209 1.00 54.44 H new ATOM 0 HG SER A 25 9.523 -15.905 -0.154 1.00 53.54 H new ATOM 396 N TYR A 26 6.993 -11.584 1.097 1.00 63.35 N ATOM 397 CA TYR A 26 5.675 -10.964 1.086 1.00 24.20 C ATOM 398 C TYR A 26 5.469 -10.369 -0.304 1.00 53.44 C ATOM 399 O TYR A 26 6.446 -9.954 -0.937 1.00 54.14 O ATOM 400 CB TYR A 26 5.610 -9.843 2.137 1.00 22.31 C ATOM 401 CG TYR A 26 5.756 -10.313 3.571 1.00 13.52 C ATOM 402 CD1 TYR A 26 7.031 -10.470 4.148 1.00 21.00 C ATOM 403 CD2 TYR A 26 4.607 -10.623 4.319 1.00 34.33 C ATOM 404 CE1 TYR A 26 7.149 -10.954 5.462 1.00 42.54 C ATOM 405 CE2 TYR A 26 4.718 -11.065 5.648 1.00 72.01 C ATOM 406 CZ TYR A 26 5.997 -11.229 6.220 1.00 22.14 C ATOM 407 OH TYR A 26 6.134 -11.682 7.492 1.00 35.01 O ATOM 0 H TYR A 26 7.671 -11.051 0.552 1.00 63.35 H new ATOM 0 HA TYR A 26 4.904 -11.698 1.319 1.00 24.20 H new ATOM 0 HB2 TYR A 26 6.395 -9.118 1.924 1.00 22.31 H new ATOM 0 HB3 TYR A 26 4.658 -9.322 2.034 1.00 22.31 H new ATOM 0 HD1 TYR A 26 7.916 -10.219 3.582 1.00 21.00 H new ATOM 0 HD2 TYR A 26 3.631 -10.521 3.868 1.00 34.33 H new ATOM 0 HE1 TYR A 26 8.127 -11.115 5.891 1.00 42.54 H new ATOM 0 HE2 TYR A 26 3.831 -11.277 6.227 1.00 72.01 H new ATOM 0 HH TYR A 26 5.248 -11.825 7.886 1.00 35.01 H new ATOM 417 N ASP A 27 4.215 -10.284 -0.749 1.00 1.22 N ATOM 418 CA ASP A 27 3.822 -9.863 -2.095 1.00 60.03 C ATOM 419 C ASP A 27 2.530 -9.057 -1.962 1.00 24.30 C ATOM 420 O ASP A 27 1.416 -9.584 -2.011 1.00 52.24 O ATOM 421 CB ASP A 27 3.660 -11.079 -3.028 1.00 62.43 C ATOM 422 CG ASP A 27 4.906 -11.407 -3.858 1.00 3.21 C ATOM 423 OD1 ASP A 27 5.310 -10.578 -4.711 1.00 11.21 O ATOM 424 OD2 ASP A 27 5.445 -12.529 -3.715 1.00 15.50 O ATOM 0 H ASP A 27 3.415 -10.515 -0.160 1.00 1.22 H new ATOM 0 HA ASP A 27 4.594 -9.241 -2.549 1.00 60.03 H new ATOM 0 HB2 ASP A 27 3.398 -11.950 -2.428 1.00 62.43 H new ATOM 0 HB3 ASP A 27 2.825 -10.895 -3.704 1.00 62.43 H new ATOM 429 N LEU A 28 2.687 -7.768 -1.677 1.00 73.22 N ATOM 430 CA LEU A 28 1.615 -6.844 -1.336 1.00 64.22 C ATOM 431 C LEU A 28 0.944 -6.295 -2.610 1.00 33.30 C ATOM 432 O LEU A 28 1.626 -6.018 -3.595 1.00 25.03 O ATOM 433 CB LEU A 28 2.221 -5.688 -0.518 1.00 41.15 C ATOM 434 CG LEU A 28 2.908 -6.164 0.785 1.00 72.12 C ATOM 435 CD1 LEU A 28 4.419 -6.399 0.640 1.00 63.13 C ATOM 436 CD2 LEU A 28 2.662 -5.149 1.902 1.00 72.44 C ATOM 0 H LEU A 28 3.604 -7.322 -1.678 1.00 73.22 H new ATOM 0 HA LEU A 28 0.853 -7.362 -0.754 1.00 64.22 H new ATOM 0 HB2 LEU A 28 2.948 -5.157 -1.133 1.00 41.15 H new ATOM 0 HB3 LEU A 28 1.435 -4.976 -0.268 1.00 41.15 H new ATOM 0 HG LEU A 28 2.461 -7.128 1.027 1.00 72.12 H new ATOM 0 HD11 LEU A 28 4.829 -6.731 1.594 1.00 63.13 H new ATOM 0 HD12 LEU A 28 4.597 -7.163 -0.117 1.00 63.13 H new ATOM 0 HD13 LEU A 28 4.904 -5.470 0.340 1.00 63.13 H new ATOM 0 HD21 LEU A 28 3.148 -5.489 2.816 1.00 72.44 H new ATOM 0 HD22 LEU A 28 3.072 -4.182 1.612 1.00 72.44 H new ATOM 0 HD23 LEU A 28 1.590 -5.051 2.075 1.00 72.44 H new ATOM 448 N PRO A 29 -0.377 -6.053 -2.626 1.00 51.44 N ATOM 449 CA PRO A 29 -1.058 -5.479 -3.787 1.00 42.25 C ATOM 450 C PRO A 29 -0.812 -3.973 -3.887 1.00 71.25 C ATOM 451 O PRO A 29 -0.768 -3.309 -2.854 1.00 51.31 O ATOM 452 CB PRO A 29 -2.538 -5.723 -3.523 1.00 73.03 C ATOM 453 CG PRO A 29 -2.656 -5.740 -2.010 1.00 71.45 C ATOM 454 CD PRO A 29 -1.322 -6.330 -1.559 1.00 35.20 C ATOM 0 HA PRO A 29 -0.702 -5.925 -4.716 1.00 42.25 H new ATOM 0 HB2 PRO A 29 -3.154 -4.937 -3.960 1.00 73.03 H new ATOM 0 HB3 PRO A 29 -2.869 -6.666 -3.958 1.00 73.03 H new ATOM 0 HG2 PRO A 29 -2.809 -4.739 -1.607 1.00 71.45 H new ATOM 0 HG3 PRO A 29 -3.497 -6.349 -1.679 1.00 71.45 H new ATOM 0 HD2 PRO A 29 -0.994 -5.880 -0.622 1.00 35.20 H new ATOM 0 HD3 PRO A 29 -1.409 -7.402 -1.385 1.00 35.20 H new ATOM 462 N ALA A 30 -0.773 -3.409 -5.100 1.00 10.10 N ATOM 463 CA ALA A 30 -0.583 -1.969 -5.308 1.00 53.21 C ATOM 464 C ALA A 30 -1.606 -1.141 -4.525 1.00 25.31 C ATOM 465 O ALA A 30 -1.241 -0.151 -3.887 1.00 1.22 O ATOM 466 CB ALA A 30 -0.678 -1.624 -6.798 1.00 25.44 C ATOM 0 H ALA A 30 -0.872 -3.939 -5.966 1.00 10.10 H new ATOM 0 HA ALA A 30 0.412 -1.720 -4.938 1.00 53.21 H new ATOM 0 HB1 ALA A 30 -0.535 -0.552 -6.933 1.00 25.44 H new ATOM 0 HB2 ALA A 30 0.093 -2.165 -7.347 1.00 25.44 H new ATOM 0 HB3 ALA A 30 -1.660 -1.909 -7.176 1.00 25.44 H new ATOM 472 N GLU A 31 -2.874 -1.557 -4.541 1.00 10.41 N ATOM 473 CA GLU A 31 -3.955 -0.853 -3.871 1.00 62.24 C ATOM 474 C GLU A 31 -3.681 -0.665 -2.377 1.00 25.42 C ATOM 475 O GLU A 31 -4.068 0.365 -1.819 1.00 43.51 O ATOM 476 CB GLU A 31 -5.301 -1.567 -4.101 1.00 12.21 C ATOM 477 CG GLU A 31 -5.356 -3.058 -3.747 1.00 4.31 C ATOM 478 CD GLU A 31 -5.226 -3.945 -4.991 1.00 43.12 C ATOM 479 OE1 GLU A 31 -4.250 -3.749 -5.749 1.00 25.04 O ATOM 480 OE2 GLU A 31 -6.068 -4.864 -5.144 1.00 10.32 O ATOM 0 H GLU A 31 -3.176 -2.402 -5.026 1.00 10.41 H new ATOM 0 HA GLU A 31 -4.014 0.142 -4.312 1.00 62.24 H new ATOM 0 HB2 GLU A 31 -6.065 -1.050 -3.520 1.00 12.21 H new ATOM 0 HB3 GLU A 31 -5.571 -1.456 -5.151 1.00 12.21 H new ATOM 0 HG2 GLU A 31 -4.555 -3.295 -3.047 1.00 4.31 H new ATOM 0 HG3 GLU A 31 -6.297 -3.277 -3.241 1.00 4.31 H new ATOM 487 N PHE A 32 -3.038 -1.632 -1.708 1.00 52.35 N ATOM 488 CA PHE A 32 -2.754 -1.515 -0.279 1.00 25.34 C ATOM 489 C PHE A 32 -1.906 -0.269 -0.005 1.00 33.20 C ATOM 490 O PHE A 32 -2.240 0.541 0.858 1.00 23.32 O ATOM 491 CB PHE A 32 -2.097 -2.806 0.236 1.00 71.12 C ATOM 492 CG PHE A 32 -1.361 -2.710 1.552 1.00 13.52 C ATOM 493 CD1 PHE A 32 -2.058 -2.757 2.778 1.00 31.12 C ATOM 494 CD2 PHE A 32 0.041 -2.606 1.552 1.00 3.54 C ATOM 495 CE1 PHE A 32 -1.378 -2.722 4.001 1.00 4.12 C ATOM 496 CE2 PHE A 32 0.713 -2.604 2.786 1.00 54.52 C ATOM 497 CZ PHE A 32 0.018 -2.672 4.002 1.00 42.41 C ATOM 0 H PHE A 32 -2.708 -2.498 -2.134 1.00 52.35 H new ATOM 0 HA PHE A 32 -3.687 -1.389 0.271 1.00 25.34 H new ATOM 0 HB2 PHE A 32 -2.871 -3.567 0.333 1.00 71.12 H new ATOM 0 HB3 PHE A 32 -1.397 -3.158 -0.522 1.00 71.12 H new ATOM 0 HD1 PHE A 32 -3.136 -2.821 2.773 1.00 31.12 H new ATOM 0 HD2 PHE A 32 0.589 -2.529 0.625 1.00 3.54 H new ATOM 0 HE1 PHE A 32 -1.926 -2.734 4.932 1.00 4.12 H new ATOM 0 HE2 PHE A 32 1.792 -2.549 2.798 1.00 54.52 H new ATOM 0 HZ PHE A 32 0.560 -2.686 4.936 1.00 42.41 H new ATOM 507 N LEU A 33 -0.806 -0.095 -0.734 1.00 72.44 N ATOM 508 CA LEU A 33 0.173 0.932 -0.402 1.00 72.30 C ATOM 509 C LEU A 33 -0.345 2.321 -0.713 1.00 31.05 C ATOM 510 O LEU A 33 -0.017 3.249 0.018 1.00 44.40 O ATOM 511 CB LEU A 33 1.476 0.672 -1.152 1.00 33.04 C ATOM 512 CG LEU A 33 2.133 -0.651 -0.772 1.00 21.04 C ATOM 513 CD1 LEU A 33 2.413 -0.799 0.715 1.00 30.14 C ATOM 514 CD2 LEU A 33 1.710 -1.850 -1.605 1.00 1.25 C ATOM 0 H LEU A 33 -0.572 -0.652 -1.556 1.00 72.44 H new ATOM 0 HA LEU A 33 0.358 0.883 0.671 1.00 72.30 H new ATOM 0 HB2 LEU A 33 1.278 0.678 -2.224 1.00 33.04 H new ATOM 0 HB3 LEU A 33 2.172 1.487 -0.952 1.00 33.04 H new ATOM 0 HG LEU A 33 3.163 -0.614 -1.127 1.00 21.04 H new ATOM 0 HD11 LEU A 33 2.880 -1.766 0.903 1.00 30.14 H new ATOM 0 HD12 LEU A 33 3.083 -0.003 1.040 1.00 30.14 H new ATOM 0 HD13 LEU A 33 1.477 -0.735 1.270 1.00 30.14 H new ATOM 0 HD21 LEU A 33 2.234 -2.739 -1.255 1.00 1.25 H new ATOM 0 HD22 LEU A 33 0.635 -2.000 -1.507 1.00 1.25 H new ATOM 0 HD23 LEU A 33 1.958 -1.672 -2.651 1.00 1.25 H new ATOM 526 N ARG A 34 -1.173 2.466 -1.745 1.00 51.33 N ATOM 527 CA ARG A 34 -1.940 3.699 -1.991 1.00 14.43 C ATOM 528 C ARG A 34 -2.751 4.088 -0.747 1.00 25.01 C ATOM 529 O ARG A 34 -2.544 5.178 -0.206 1.00 61.42 O ATOM 530 CB ARG A 34 -2.776 3.564 -3.282 1.00 30.13 C ATOM 531 CG ARG A 34 -3.848 4.637 -3.569 1.00 31.32 C ATOM 532 CD ARG A 34 -3.463 6.098 -3.302 1.00 64.20 C ATOM 533 NE ARG A 34 -2.208 6.537 -3.931 1.00 41.50 N ATOM 534 CZ ARG A 34 -1.349 7.405 -3.375 1.00 74.40 C ATOM 535 NH1 ARG A 34 -1.588 7.985 -2.204 1.00 52.31 N ATOM 536 NH2 ARG A 34 -0.223 7.685 -4.004 1.00 2.41 N ATOM 0 H ARG A 34 -1.336 1.736 -2.438 1.00 51.33 H new ATOM 0 HA ARG A 34 -1.259 4.532 -2.166 1.00 14.43 H new ATOM 0 HB2 ARG A 34 -2.086 3.548 -4.126 1.00 30.13 H new ATOM 0 HB3 ARG A 34 -3.273 2.594 -3.258 1.00 30.13 H new ATOM 0 HG2 ARG A 34 -4.142 4.550 -4.615 1.00 31.32 H new ATOM 0 HG3 ARG A 34 -4.729 4.404 -2.970 1.00 31.32 H new ATOM 0 HD2 ARG A 34 -4.271 6.740 -3.652 1.00 64.20 H new ATOM 0 HD3 ARG A 34 -3.383 6.245 -2.225 1.00 64.20 H new ATOM 0 HE ARG A 34 -1.976 6.157 -4.849 1.00 41.50 H new ATOM 0 HH11 ARG A 34 -2.448 7.775 -1.697 1.00 52.31 H new ATOM 0 HH12 ARG A 34 -0.912 8.640 -1.812 1.00 52.31 H new ATOM 0 HH21 ARG A 34 -0.016 7.244 -4.900 1.00 2.41 H new ATOM 0 HH22 ARG A 34 0.440 8.343 -3.594 1.00 2.41 H new ATOM 550 N VAL A 35 -3.666 3.239 -0.266 1.00 21.04 N ATOM 551 CA VAL A 35 -4.482 3.598 0.907 1.00 63.35 C ATOM 552 C VAL A 35 -3.594 3.790 2.150 1.00 22.13 C ATOM 553 O VAL A 35 -3.889 4.637 2.989 1.00 73.03 O ATOM 554 CB VAL A 35 -5.659 2.621 1.123 1.00 24.44 C ATOM 555 CG1 VAL A 35 -6.533 2.550 -0.142 1.00 5.10 C ATOM 556 CG2 VAL A 35 -5.257 1.195 1.525 1.00 54.54 C ATOM 0 H VAL A 35 -3.860 2.318 -0.658 1.00 21.04 H new ATOM 0 HA VAL A 35 -4.955 4.561 0.713 1.00 63.35 H new ATOM 0 HB VAL A 35 -6.209 3.035 1.968 1.00 24.44 H new ATOM 0 HG11 VAL A 35 -7.358 1.858 0.024 1.00 5.10 H new ATOM 0 HG12 VAL A 35 -6.929 3.540 -0.366 1.00 5.10 H new ATOM 0 HG13 VAL A 35 -5.931 2.201 -0.981 1.00 5.10 H new ATOM 0 HG21 VAL A 35 -6.153 0.587 1.653 1.00 54.54 H new ATOM 0 HG22 VAL A 35 -4.631 0.760 0.746 1.00 54.54 H new ATOM 0 HG23 VAL A 35 -4.701 1.224 2.462 1.00 54.54 H new ATOM 566 N HIS A 36 -2.451 3.102 2.240 1.00 62.04 N ATOM 567 CA HIS A 36 -1.505 3.208 3.348 1.00 32.12 C ATOM 568 C HIS A 36 -0.336 4.164 3.040 1.00 5.52 C ATOM 569 O HIS A 36 0.784 3.966 3.532 1.00 33.43 O ATOM 570 CB HIS A 36 -1.060 1.792 3.772 1.00 33.22 C ATOM 571 CG HIS A 36 -1.155 1.588 5.261 1.00 62.32 C ATOM 572 ND1 HIS A 36 -0.654 2.420 6.237 1.00 71.10 N ATOM 573 CD2 HIS A 36 -1.872 0.605 5.884 1.00 51.21 C ATOM 574 CE1 HIS A 36 -1.030 1.929 7.428 1.00 34.11 C ATOM 575 NE2 HIS A 36 -1.819 0.856 7.257 1.00 72.02 N ATOM 0 H HIS A 36 -2.153 2.440 1.524 1.00 62.04 H new ATOM 0 HA HIS A 36 -2.003 3.669 4.201 1.00 32.12 H new ATOM 0 HB2 HIS A 36 -1.679 1.052 3.265 1.00 33.22 H new ATOM 0 HB3 HIS A 36 -0.033 1.624 3.449 1.00 33.22 H new ATOM 0 HD1 HIS A 36 -0.096 3.260 6.082 1.00 71.10 H new ATOM 0 HD2 HIS A 36 -2.385 -0.215 5.403 1.00 51.21 H new ATOM 0 HE1 HIS A 36 -0.740 2.337 8.385 1.00 34.11 H new ATOM 583 N SER A 37 -0.523 5.156 2.162 1.00 65.13 N ATOM 584 CA SER A 37 0.538 6.108 1.847 1.00 21.32 C ATOM 585 C SER A 37 0.556 7.256 2.868 1.00 25.33 C ATOM 586 O SER A 37 -0.517 7.732 3.257 1.00 50.44 O ATOM 587 CB SER A 37 0.347 6.674 0.438 1.00 12.13 C ATOM 588 OG SER A 37 1.483 7.443 0.081 1.00 43.41 O ATOM 0 H SER A 37 -1.397 5.317 1.661 1.00 65.13 H new ATOM 0 HA SER A 37 1.491 5.581 1.893 1.00 21.32 H new ATOM 0 HB2 SER A 37 0.205 5.862 -0.276 1.00 12.13 H new ATOM 0 HB3 SER A 37 -0.550 7.292 0.401 1.00 12.13 H new ATOM 0 HG SER A 37 1.417 8.332 0.488 1.00 43.41 H new ATOM 594 N PRO A 38 1.746 7.779 3.215 1.00 71.00 N ATOM 595 CA PRO A 38 1.934 9.135 3.706 1.00 5.24 C ATOM 596 C PRO A 38 1.871 10.149 2.547 1.00 74.10 C ATOM 597 O PRO A 38 1.611 9.771 1.397 1.00 62.31 O ATOM 598 CB PRO A 38 3.307 9.115 4.382 1.00 14.23 C ATOM 599 CG PRO A 38 4.087 8.116 3.541 1.00 41.52 C ATOM 600 CD PRO A 38 3.032 7.111 3.106 1.00 14.33 C ATOM 0 HA PRO A 38 1.154 9.444 4.402 1.00 5.24 H new ATOM 0 HB2 PRO A 38 3.774 10.100 4.376 1.00 14.23 H new ATOM 0 HB3 PRO A 38 3.240 8.800 5.423 1.00 14.23 H new ATOM 0 HG2 PRO A 38 4.560 8.596 2.684 1.00 41.52 H new ATOM 0 HG3 PRO A 38 4.880 7.640 4.118 1.00 41.52 H new ATOM 0 HD2 PRO A 38 3.211 6.781 2.083 1.00 14.33 H new ATOM 0 HD3 PRO A 38 3.061 6.223 3.737 1.00 14.33 H new ATOM 608 N SER A 39 2.099 11.431 2.851 1.00 5.23 N ATOM 609 CA SER A 39 1.985 12.567 1.959 1.00 10.34 C ATOM 610 C SER A 39 3.274 13.412 1.917 1.00 33.25 C ATOM 611 O SER A 39 3.200 14.634 1.828 1.00 45.31 O ATOM 612 CB SER A 39 0.823 13.414 2.478 1.00 74.34 C ATOM 613 OG SER A 39 -0.360 12.682 2.755 1.00 13.52 O ATOM 0 H SER A 39 2.386 11.710 3.789 1.00 5.23 H new ATOM 0 HA SER A 39 1.815 12.218 0.940 1.00 10.34 H new ATOM 0 HB2 SER A 39 1.140 13.925 3.387 1.00 74.34 H new ATOM 0 HB3 SER A 39 0.594 14.185 1.742 1.00 74.34 H new ATOM 0 HG SER A 39 -1.053 13.292 3.083 1.00 13.52 H new ATOM 619 N ALA A 40 4.445 12.785 2.058 1.00 74.40 N ATOM 620 CA ALA A 40 5.791 13.345 2.197 1.00 13.35 C ATOM 621 C ALA A 40 6.011 14.053 3.531 1.00 10.34 C ATOM 622 O ALA A 40 6.946 13.724 4.258 1.00 71.03 O ATOM 623 CB ALA A 40 6.191 14.207 0.993 1.00 31.22 C ATOM 0 H ALA A 40 4.476 11.766 2.080 1.00 74.40 H new ATOM 0 HA ALA A 40 6.471 12.493 2.205 1.00 13.35 H new ATOM 0 HB1 ALA A 40 7.197 14.599 1.144 1.00 31.22 H new ATOM 0 HB2 ALA A 40 6.170 13.600 0.088 1.00 31.22 H new ATOM 0 HB3 ALA A 40 5.490 15.036 0.890 1.00 31.22 H new ATOM 629 N GLU A 41 5.107 14.947 3.894 1.00 13.21 N ATOM 630 CA GLU A 41 5.213 15.906 4.984 1.00 53.30 C ATOM 631 C GLU A 41 4.217 15.600 6.115 1.00 74.31 C ATOM 632 O GLU A 41 3.681 16.515 6.737 1.00 21.24 O ATOM 633 CB GLU A 41 5.027 17.337 4.445 1.00 54.14 C ATOM 634 CG GLU A 41 6.141 17.795 3.491 1.00 42.51 C ATOM 635 CD GLU A 41 6.068 19.285 3.120 1.00 11.52 C ATOM 636 OE1 GLU A 41 5.695 20.121 3.982 1.00 14.14 O ATOM 637 OE2 GLU A 41 6.435 19.632 1.969 1.00 64.42 O ATOM 0 H GLU A 41 4.217 15.029 3.402 1.00 13.21 H new ATOM 0 HA GLU A 41 6.211 15.822 5.415 1.00 53.30 H new ATOM 0 HB2 GLU A 41 4.071 17.397 3.926 1.00 54.14 H new ATOM 0 HB3 GLU A 41 4.977 18.028 5.287 1.00 54.14 H new ATOM 0 HG2 GLU A 41 7.107 17.592 3.952 1.00 42.51 H new ATOM 0 HG3 GLU A 41 6.092 17.200 2.579 1.00 42.51 H new ATOM 644 N VAL A 42 3.861 14.326 6.317 1.00 2.34 N ATOM 645 CA VAL A 42 2.778 13.953 7.232 1.00 61.01 C ATOM 646 C VAL A 42 3.145 12.792 8.145 1.00 32.35 C ATOM 647 O VAL A 42 3.209 12.998 9.349 1.00 1.34 O ATOM 648 CB VAL A 42 1.474 13.709 6.457 1.00 12.33 C ATOM 649 CG1 VAL A 42 0.356 13.263 7.412 1.00 64.30 C ATOM 650 CG2 VAL A 42 1.023 14.990 5.750 1.00 42.52 C ATOM 0 H VAL A 42 4.310 13.534 5.857 1.00 2.34 H new ATOM 0 HA VAL A 42 2.612 14.797 7.901 1.00 61.01 H new ATOM 0 HB VAL A 42 1.666 12.928 5.721 1.00 12.33 H new ATOM 0 HG11 VAL A 42 -0.560 13.095 6.846 1.00 64.30 H new ATOM 0 HG12 VAL A 42 0.650 12.339 7.910 1.00 64.30 H new ATOM 0 HG13 VAL A 42 0.184 14.039 8.158 1.00 64.30 H new ATOM 0 HG21 VAL A 42 0.098 14.799 5.206 1.00 42.52 H new ATOM 0 HG22 VAL A 42 0.854 15.773 6.489 1.00 42.52 H new ATOM 0 HG23 VAL A 42 1.795 15.311 5.051 1.00 42.52 H new ATOM 660 N GLN A 43 3.305 11.572 7.617 1.00 22.24 N ATOM 661 CA GLN A 43 3.718 10.392 8.381 1.00 10.14 C ATOM 662 C GLN A 43 2.990 10.272 9.733 1.00 54.30 C ATOM 663 O GLN A 43 3.590 10.316 10.803 1.00 30.43 O ATOM 664 CB GLN A 43 5.250 10.237 8.402 1.00 45.44 C ATOM 665 CG GLN A 43 6.115 11.511 8.437 1.00 1.24 C ATOM 666 CD GLN A 43 6.351 12.123 9.813 1.00 2.51 C ATOM 667 OE1 GLN A 43 6.654 11.447 10.786 1.00 34.02 O ATOM 668 NE2 GLN A 43 6.394 13.439 9.905 1.00 2.53 N ATOM 0 H GLN A 43 3.148 11.376 6.629 1.00 22.24 H new ATOM 0 HA GLN A 43 3.376 9.501 7.855 1.00 10.14 H new ATOM 0 HB2 GLN A 43 5.511 9.635 9.272 1.00 45.44 H new ATOM 0 HB3 GLN A 43 5.538 9.664 7.520 1.00 45.44 H new ATOM 0 HG2 GLN A 43 7.084 11.281 7.993 1.00 1.24 H new ATOM 0 HG3 GLN A 43 5.645 12.263 7.803 1.00 1.24 H new ATOM 0 HE21 GLN A 43 6.144 14.015 9.101 1.00 2.53 H new ATOM 0 HE22 GLN A 43 6.677 13.880 10.780 1.00 2.53 H new ATOM 677 N GLY A 44 1.658 10.167 9.676 1.00 64.01 N ATOM 678 CA GLY A 44 0.805 9.977 10.849 1.00 65.33 C ATOM 679 C GLY A 44 0.222 11.267 11.422 1.00 24.03 C ATOM 680 O GLY A 44 -0.764 11.214 12.161 1.00 54.10 O ATOM 0 H GLY A 44 1.137 10.213 8.800 1.00 64.01 H new ATOM 0 HA2 GLY A 44 -0.014 9.309 10.583 1.00 65.33 H new ATOM 0 HA3 GLY A 44 1.383 9.478 11.626 1.00 65.33 H new ATOM 684 N HIS A 45 0.789 12.433 11.102 1.00 34.12 N ATOM 685 CA HIS A 45 0.316 13.700 11.645 1.00 41.31 C ATOM 686 C HIS A 45 -0.844 14.249 10.813 1.00 23.45 C ATOM 687 O HIS A 45 -0.695 15.278 10.152 1.00 4.25 O ATOM 688 CB HIS A 45 1.486 14.683 11.758 1.00 72.20 C ATOM 689 CG HIS A 45 2.482 14.216 12.780 1.00 65.14 C ATOM 690 ND1 HIS A 45 2.253 14.096 14.132 1.00 23.35 N ATOM 691 CD2 HIS A 45 3.707 13.677 12.505 1.00 33.44 C ATOM 692 CE1 HIS A 45 3.325 13.490 14.659 1.00 21.15 C ATOM 693 NE2 HIS A 45 4.263 13.259 13.721 1.00 2.44 N ATOM 0 H HIS A 45 1.581 12.521 10.465 1.00 34.12 H new ATOM 0 HA HIS A 45 -0.077 13.544 12.650 1.00 41.31 H new ATOM 0 HB2 HIS A 45 1.974 14.786 10.789 1.00 72.20 H new ATOM 0 HB3 HIS A 45 1.112 15.669 12.033 1.00 72.20 H new ATOM 0 HD2 HIS A 45 4.163 13.589 11.530 1.00 33.44 H new ATOM 0 HE1 HIS A 45 3.424 13.222 15.700 1.00 21.15 H new ATOM 0 HE2 HIS A 45 5.191 12.860 13.866 1.00 2.44 H new ATOM 701 N GLY A 46 -2.009 13.605 10.850 1.00 13.53 N ATOM 702 CA GLY A 46 -3.179 14.061 10.116 1.00 10.24 C ATOM 703 C GLY A 46 -4.484 13.593 10.748 1.00 51.31 C ATOM 704 O GLY A 46 -4.507 13.015 11.840 1.00 70.04 O ATOM 0 H GLY A 46 -2.164 12.754 11.390 1.00 13.53 H new ATOM 0 HA2 GLY A 46 -3.172 15.150 10.068 1.00 10.24 H new ATOM 0 HA3 GLY A 46 -3.125 13.697 9.090 1.00 10.24 H new ATOM 708 N ASN A 47 -5.583 13.909 10.060 1.00 22.03 N ATOM 709 CA ASN A 47 -6.941 13.602 10.496 1.00 21.13 C ATOM 710 C ASN A 47 -7.315 12.201 9.996 1.00 42.43 C ATOM 711 O ASN A 47 -6.934 11.859 8.869 1.00 23.41 O ATOM 712 CB ASN A 47 -7.945 14.622 9.927 1.00 65.21 C ATOM 713 CG ASN A 47 -7.557 16.078 10.148 1.00 12.35 C ATOM 714 OD1 ASN A 47 -6.941 16.435 11.148 1.00 4.21 O ATOM 715 ND2 ASN A 47 -7.869 16.951 9.206 1.00 21.24 N ATOM 0 H ASN A 47 -5.550 14.396 9.165 1.00 22.03 H new ATOM 0 HA ASN A 47 -6.979 13.647 11.584 1.00 21.13 H new ATOM 0 HB2 ASN A 47 -8.055 14.447 8.857 1.00 65.21 H new ATOM 0 HB3 ASN A 47 -8.920 14.446 10.381 1.00 65.21 H new ATOM 0 HD21 ASN A 47 -7.598 17.929 9.307 1.00 21.24 H new ATOM 0 HD22 ASN A 47 -8.381 16.647 8.378 1.00 21.24 H new ATOM 722 N PRO A 48 -8.098 11.415 10.759 1.00 51.52 N ATOM 723 CA PRO A 48 -8.490 10.066 10.384 1.00 2.40 C ATOM 724 C PRO A 48 -9.475 10.128 9.223 1.00 65.43 C ATOM 725 O PRO A 48 -10.565 10.698 9.345 1.00 41.23 O ATOM 726 CB PRO A 48 -9.122 9.431 11.624 1.00 21.12 C ATOM 727 CG PRO A 48 -9.643 10.628 12.403 1.00 24.02 C ATOM 728 CD PRO A 48 -8.662 11.749 12.054 1.00 13.23 C ATOM 0 HA PRO A 48 -7.639 9.470 10.054 1.00 2.40 H new ATOM 0 HB2 PRO A 48 -9.925 8.743 11.359 1.00 21.12 H new ATOM 0 HB3 PRO A 48 -8.393 8.862 12.201 1.00 21.12 H new ATOM 0 HG2 PRO A 48 -10.662 10.883 12.110 1.00 24.02 H new ATOM 0 HG3 PRO A 48 -9.659 10.431 13.475 1.00 24.02 H new ATOM 0 HD2 PRO A 48 -9.171 12.712 12.019 1.00 13.23 H new ATOM 0 HD3 PRO A 48 -7.880 11.829 12.809 1.00 13.23 H new ATOM 736 N VAL A 49 -9.064 9.565 8.094 1.00 41.25 N ATOM 737 CA VAL A 49 -9.802 9.501 6.857 1.00 34.44 C ATOM 738 C VAL A 49 -9.538 8.156 6.194 1.00 3.42 C ATOM 739 O VAL A 49 -8.411 7.648 6.202 1.00 61.22 O ATOM 740 CB VAL A 49 -9.353 10.686 5.995 1.00 34.02 C ATOM 741 CG1 VAL A 49 -7.853 10.718 5.691 1.00 42.12 C ATOM 742 CG2 VAL A 49 -10.162 10.803 4.703 1.00 32.22 C ATOM 0 H VAL A 49 -8.151 9.116 8.022 1.00 41.25 H new ATOM 0 HA VAL A 49 -10.879 9.573 7.011 1.00 34.44 H new ATOM 0 HB VAL A 49 -9.557 11.558 6.616 1.00 34.02 H new ATOM 0 HG11 VAL A 49 -7.625 11.589 5.077 1.00 42.12 H new ATOM 0 HG12 VAL A 49 -7.294 10.776 6.625 1.00 42.12 H new ATOM 0 HG13 VAL A 49 -7.571 9.812 5.155 1.00 42.12 H new ATOM 0 HG21 VAL A 49 -9.806 11.657 4.127 1.00 32.22 H new ATOM 0 HG22 VAL A 49 -10.042 9.893 4.115 1.00 32.22 H new ATOM 0 HG23 VAL A 49 -11.216 10.942 4.945 1.00 32.22 H new ATOM 752 N LEU A 50 -10.564 7.631 5.541 1.00 30.10 N ATOM 753 CA LEU A 50 -10.507 6.447 4.698 1.00 71.44 C ATOM 754 C LEU A 50 -10.399 6.877 3.242 1.00 30.03 C ATOM 755 O LEU A 50 -10.895 7.934 2.837 1.00 11.44 O ATOM 756 CB LEU A 50 -11.794 5.639 4.959 1.00 70.01 C ATOM 757 CG LEU A 50 -12.074 4.464 4.004 1.00 70.21 C ATOM 758 CD1 LEU A 50 -11.097 3.301 4.228 1.00 22.40 C ATOM 759 CD2 LEU A 50 -13.515 3.996 4.179 1.00 31.22 C ATOM 0 H LEU A 50 -11.499 8.036 5.586 1.00 30.10 H new ATOM 0 HA LEU A 50 -9.639 5.828 4.923 1.00 71.44 H new ATOM 0 HB2 LEU A 50 -11.752 5.249 5.976 1.00 70.01 H new ATOM 0 HB3 LEU A 50 -12.641 6.323 4.915 1.00 70.01 H new ATOM 0 HG LEU A 50 -11.927 4.814 2.982 1.00 70.21 H new ATOM 0 HD11 LEU A 50 -11.329 2.493 3.535 1.00 22.40 H new ATOM 0 HD12 LEU A 50 -10.077 3.645 4.057 1.00 22.40 H new ATOM 0 HD13 LEU A 50 -11.191 2.939 5.252 1.00 22.40 H new ATOM 0 HD21 LEU A 50 -13.712 3.164 3.503 1.00 31.22 H new ATOM 0 HD22 LEU A 50 -13.670 3.671 5.208 1.00 31.22 H new ATOM 0 HD23 LEU A 50 -14.194 4.817 3.952 1.00 31.22 H new ATOM 771 N GLN A 51 -9.760 6.031 2.442 1.00 41.41 N ATOM 772 CA GLN A 51 -9.658 6.157 1.006 1.00 73.32 C ATOM 773 C GLN A 51 -10.374 4.921 0.445 1.00 52.31 C ATOM 774 O GLN A 51 -10.063 3.784 0.835 1.00 53.44 O ATOM 775 CB GLN A 51 -8.173 6.259 0.614 1.00 63.45 C ATOM 776 CG GLN A 51 -7.328 7.195 1.504 1.00 65.23 C ATOM 777 CD GLN A 51 -7.644 8.677 1.397 1.00 44.35 C ATOM 778 OE1 GLN A 51 -7.791 9.228 0.307 1.00 70.12 O ATOM 779 NE2 GLN A 51 -7.763 9.358 2.528 1.00 34.10 N ATOM 0 H GLN A 51 -9.280 5.205 2.799 1.00 41.41 H new ATOM 0 HA GLN A 51 -10.123 7.055 0.600 1.00 73.32 H new ATOM 0 HB2 GLN A 51 -7.735 5.261 0.643 1.00 63.45 H new ATOM 0 HB3 GLN A 51 -8.108 6.606 -0.417 1.00 63.45 H new ATOM 0 HG2 GLN A 51 -7.456 6.890 2.543 1.00 65.23 H new ATOM 0 HG3 GLN A 51 -6.277 7.049 1.256 1.00 65.23 H new ATOM 0 HE21 GLN A 51 -7.638 8.886 3.423 1.00 34.10 H new ATOM 0 HE22 GLN A 51 -7.980 10.354 2.503 1.00 34.10 H new ATOM 788 N TYR A 52 -11.394 5.136 -0.388 1.00 74.35 N ATOM 789 CA TYR A 52 -12.171 4.089 -1.046 1.00 12.22 C ATOM 790 C TYR A 52 -12.079 4.248 -2.557 1.00 73.04 C ATOM 791 O TYR A 52 -11.424 5.165 -3.047 1.00 71.31 O ATOM 792 CB TYR A 52 -13.621 4.053 -0.565 1.00 4.33 C ATOM 793 CG TYR A 52 -14.383 5.309 -0.938 1.00 62.31 C ATOM 794 CD1 TYR A 52 -14.296 6.437 -0.102 1.00 74.24 C ATOM 795 CD2 TYR A 52 -15.101 5.390 -2.145 1.00 74.43 C ATOM 796 CE1 TYR A 52 -14.897 7.649 -0.485 1.00 73.42 C ATOM 797 CE2 TYR A 52 -15.714 6.595 -2.525 1.00 13.23 C ATOM 798 CZ TYR A 52 -15.596 7.741 -1.709 1.00 52.52 C ATOM 799 OH TYR A 52 -16.156 8.928 -2.083 1.00 63.34 O ATOM 0 H TYR A 52 -11.711 6.075 -0.630 1.00 74.35 H new ATOM 0 HA TYR A 52 -11.741 3.126 -0.772 1.00 12.22 H new ATOM 0 HB2 TYR A 52 -14.122 3.186 -0.995 1.00 4.33 H new ATOM 0 HB3 TYR A 52 -13.639 3.928 0.518 1.00 4.33 H new ATOM 0 HD1 TYR A 52 -13.766 6.372 0.837 1.00 74.24 H new ATOM 0 HD2 TYR A 52 -15.181 4.522 -2.782 1.00 74.43 H new ATOM 0 HE1 TYR A 52 -14.824 8.513 0.159 1.00 73.42 H new ATOM 0 HE2 TYR A 52 -16.278 6.645 -3.445 1.00 13.23 H new ATOM 0 HH TYR A 52 -16.599 8.822 -2.951 1.00 63.34 H new ATOM 809 N GLY A 53 -12.722 3.347 -3.293 1.00 64.25 N ATOM 810 CA GLY A 53 -12.496 3.196 -4.721 1.00 53.11 C ATOM 811 C GLY A 53 -11.035 2.814 -4.956 1.00 71.23 C ATOM 812 O GLY A 53 -10.229 3.652 -5.344 1.00 13.13 O ATOM 0 H GLY A 53 -13.415 2.702 -2.913 1.00 64.25 H new ATOM 0 HA2 GLY A 53 -13.156 2.429 -5.128 1.00 53.11 H new ATOM 0 HA3 GLY A 53 -12.730 4.126 -5.240 1.00 53.11 H new ATOM 816 N LYS A 54 -10.680 1.557 -4.670 1.00 23.10 N ATOM 817 CA LYS A 54 -9.318 1.022 -4.718 1.00 72.44 C ATOM 818 C LYS A 54 -9.242 -0.265 -5.547 1.00 1.54 C ATOM 819 O LYS A 54 -8.578 -1.217 -5.130 1.00 54.23 O ATOM 820 CB LYS A 54 -8.615 0.934 -3.350 1.00 21.10 C ATOM 821 CG LYS A 54 -9.404 0.233 -2.239 1.00 32.31 C ATOM 822 CD LYS A 54 -10.186 1.298 -1.491 1.00 41.25 C ATOM 823 CE LYS A 54 -10.864 0.759 -0.220 1.00 3.22 C ATOM 824 NZ LYS A 54 -10.014 0.954 0.977 1.00 34.44 N ATOM 0 H LYS A 54 -11.364 0.856 -4.387 1.00 23.10 H new ATOM 0 HA LYS A 54 -8.724 1.766 -5.250 1.00 72.44 H new ATOM 0 HB2 LYS A 54 -7.668 0.411 -3.482 1.00 21.10 H new ATOM 0 HB3 LYS A 54 -8.378 1.945 -3.019 1.00 21.10 H new ATOM 0 HG2 LYS A 54 -10.078 -0.513 -2.660 1.00 32.31 H new ATOM 0 HG3 LYS A 54 -8.729 -0.293 -1.563 1.00 32.31 H new ATOM 0 HD2 LYS A 54 -9.514 2.113 -1.221 1.00 41.25 H new ATOM 0 HD3 LYS A 54 -10.945 1.716 -2.152 1.00 41.25 H new ATOM 0 HE2 LYS A 54 -11.819 1.264 -0.075 1.00 3.22 H new ATOM 0 HE3 LYS A 54 -11.080 -0.302 -0.344 1.00 3.22 H new ATOM 0 HZ1 LYS A 54 -10.480 0.534 1.806 1.00 34.44 H new ATOM 0 HZ2 LYS A 54 -9.093 0.494 0.827 1.00 34.44 H new ATOM 0 HZ3 LYS A 54 -9.871 1.971 1.139 1.00 34.44 H new ATOM 838 N LEU A 55 -9.981 -0.355 -6.654 1.00 25.02 N ATOM 839 CA LEU A 55 -9.993 -1.493 -7.579 1.00 4.31 C ATOM 840 C LEU A 55 -9.413 -1.147 -8.964 1.00 44.55 C ATOM 841 O LEU A 55 -9.300 -2.036 -9.808 1.00 2.31 O ATOM 842 CB LEU A 55 -11.430 -2.052 -7.656 1.00 4.31 C ATOM 843 CG LEU A 55 -11.571 -3.467 -8.249 1.00 2.11 C ATOM 844 CD1 LEU A 55 -10.867 -4.524 -7.390 1.00 24.40 C ATOM 845 CD2 LEU A 55 -13.060 -3.796 -8.330 1.00 61.32 C ATOM 0 H LEU A 55 -10.613 0.392 -6.943 1.00 25.02 H new ATOM 0 HA LEU A 55 -9.330 -2.268 -7.193 1.00 4.31 H new ATOM 0 HB2 LEU A 55 -11.852 -2.057 -6.651 1.00 4.31 H new ATOM 0 HB3 LEU A 55 -12.034 -1.368 -8.252 1.00 4.31 H new ATOM 0 HG LEU A 55 -11.103 -3.482 -9.233 1.00 2.11 H new ATOM 0 HD11 LEU A 55 -10.993 -5.506 -7.846 1.00 24.40 H new ATOM 0 HD12 LEU A 55 -9.805 -4.289 -7.322 1.00 24.40 H new ATOM 0 HD13 LEU A 55 -11.302 -4.530 -6.391 1.00 24.40 H new ATOM 0 HD21 LEU A 55 -13.190 -4.795 -8.747 1.00 61.32 H new ATOM 0 HD22 LEU A 55 -13.495 -3.761 -7.331 1.00 61.32 H new ATOM 0 HD23 LEU A 55 -13.559 -3.068 -8.969 1.00 61.32 H new ATOM 857 N ASN A 56 -9.018 0.107 -9.216 1.00 73.14 N ATOM 858 CA ASN A 56 -8.488 0.583 -10.507 1.00 65.31 C ATOM 859 C ASN A 56 -7.057 1.108 -10.375 1.00 14.34 C ATOM 860 O ASN A 56 -6.366 1.280 -11.382 1.00 11.43 O ATOM 861 CB ASN A 56 -9.343 1.715 -11.108 1.00 41.11 C ATOM 862 CG ASN A 56 -10.802 1.709 -10.692 1.00 1.42 C ATOM 863 OD1 ASN A 56 -11.226 2.588 -9.950 1.00 2.12 O ATOM 864 ND2 ASN A 56 -11.592 0.753 -11.141 1.00 73.25 N ATOM 0 H ASN A 56 -9.058 0.842 -8.510 1.00 73.14 H new ATOM 0 HA ASN A 56 -8.512 -0.286 -11.165 1.00 65.31 H new ATOM 0 HB2 ASN A 56 -8.904 2.671 -10.823 1.00 41.11 H new ATOM 0 HB3 ASN A 56 -9.291 1.651 -12.195 1.00 41.11 H new ATOM 0 HD21 ASN A 56 -12.576 0.736 -10.872 1.00 73.25 H new ATOM 0 HD22 ASN A 56 -11.219 0.031 -11.758 1.00 73.25 H new ATOM 871 N VAL A 57 -6.616 1.407 -9.154 1.00 2.20 N ATOM 872 CA VAL A 57 -5.238 1.753 -8.837 1.00 34.40 C ATOM 873 C VAL A 57 -4.320 0.609 -9.250 1.00 11.30 C ATOM 874 O VAL A 57 -4.606 -0.559 -8.987 1.00 2.34 O ATOM 875 CB VAL A 57 -5.123 2.090 -7.335 1.00 34.22 C ATOM 876 CG1 VAL A 57 -5.765 1.044 -6.415 1.00 71.14 C ATOM 877 CG2 VAL A 57 -3.667 2.297 -6.884 1.00 45.55 C ATOM 0 H VAL A 57 -7.227 1.414 -8.338 1.00 2.20 H new ATOM 0 HA VAL A 57 -4.928 2.638 -9.393 1.00 34.40 H new ATOM 0 HB VAL A 57 -5.676 3.024 -7.237 1.00 34.22 H new ATOM 0 HG11 VAL A 57 -5.644 1.350 -5.376 1.00 71.14 H new ATOM 0 HG12 VAL A 57 -6.827 0.958 -6.647 1.00 71.14 H new ATOM 0 HG13 VAL A 57 -5.281 0.079 -6.568 1.00 71.14 H new ATOM 0 HG21 VAL A 57 -3.646 2.531 -5.820 1.00 45.55 H new ATOM 0 HG22 VAL A 57 -3.097 1.386 -7.067 1.00 45.55 H new ATOM 0 HG23 VAL A 57 -3.226 3.120 -7.446 1.00 45.55 H new ATOM 887 N GLY A 58 -3.167 0.949 -9.815 1.00 41.21 N ATOM 888 CA GLY A 58 -2.067 0.028 -9.974 1.00 21.24 C ATOM 889 C GLY A 58 -0.748 0.781 -9.885 1.00 41.24 C ATOM 890 O GLY A 58 -0.720 1.995 -9.668 1.00 72.21 O ATOM 0 H GLY A 58 -2.976 1.883 -10.177 1.00 41.21 H new ATOM 0 HA2 GLY A 58 -2.110 -0.741 -9.203 1.00 21.24 H new ATOM 0 HA3 GLY A 58 -2.142 -0.480 -10.935 1.00 21.24 H new ATOM 894 N LEU A 59 0.353 0.043 -10.013 1.00 34.24 N ATOM 895 CA LEU A 59 1.708 0.566 -10.042 1.00 13.42 C ATOM 896 C LEU A 59 2.143 0.739 -11.489 1.00 62.41 C ATOM 897 O LEU A 59 1.898 -0.118 -12.342 1.00 52.54 O ATOM 898 CB LEU A 59 2.643 -0.400 -9.296 1.00 41.40 C ATOM 899 CG LEU A 59 3.300 0.218 -8.058 1.00 43.34 C ATOM 900 CD1 LEU A 59 4.404 1.209 -8.414 1.00 52.51 C ATOM 901 CD2 LEU A 59 2.286 0.867 -7.122 1.00 2.52 C ATOM 0 H LEU A 59 0.319 -0.973 -10.102 1.00 34.24 H new ATOM 0 HA LEU A 59 1.751 1.536 -9.547 1.00 13.42 H new ATOM 0 HB2 LEU A 59 2.077 -1.281 -8.995 1.00 41.40 H new ATOM 0 HB3 LEU A 59 3.421 -0.740 -9.979 1.00 41.40 H new ATOM 0 HG LEU A 59 3.760 -0.616 -7.527 1.00 43.34 H new ATOM 0 HD11 LEU A 59 4.835 1.617 -7.500 1.00 52.51 H new ATOM 0 HD12 LEU A 59 5.180 0.700 -8.986 1.00 52.51 H new ATOM 0 HD13 LEU A 59 3.987 2.020 -9.011 1.00 52.51 H new ATOM 0 HD21 LEU A 59 2.804 1.289 -6.261 1.00 2.52 H new ATOM 0 HD22 LEU A 59 1.757 1.659 -7.652 1.00 2.52 H new ATOM 0 HD23 LEU A 59 1.571 0.117 -6.783 1.00 2.52 H new ATOM 913 N VAL A 60 2.772 1.868 -11.779 1.00 62.03 N ATOM 914 CA VAL A 60 3.169 2.281 -13.126 1.00 41.34 C ATOM 915 C VAL A 60 4.686 2.299 -13.283 1.00 14.54 C ATOM 916 O VAL A 60 5.199 1.982 -14.359 1.00 52.22 O ATOM 917 CB VAL A 60 2.527 3.633 -13.513 1.00 14.13 C ATOM 918 CG1 VAL A 60 1.191 3.348 -14.206 1.00 25.42 C ATOM 919 CG2 VAL A 60 2.272 4.583 -12.347 1.00 3.53 C ATOM 0 H VAL A 60 3.031 2.547 -11.063 1.00 62.03 H new ATOM 0 HA VAL A 60 2.789 1.536 -13.825 1.00 41.34 H new ATOM 0 HB VAL A 60 3.245 4.137 -14.160 1.00 14.13 H new ATOM 0 HG11 VAL A 60 0.719 4.289 -14.488 1.00 25.42 H new ATOM 0 HG12 VAL A 60 1.365 2.747 -15.099 1.00 25.42 H new ATOM 0 HG13 VAL A 60 0.536 2.804 -13.525 1.00 25.42 H new ATOM 0 HG21 VAL A 60 1.820 5.503 -12.719 1.00 3.53 H new ATOM 0 HG22 VAL A 60 1.597 4.110 -11.633 1.00 3.53 H new ATOM 0 HG23 VAL A 60 3.216 4.816 -11.854 1.00 3.53 H new ATOM 929 N GLY A 61 5.399 2.604 -12.206 1.00 43.42 N ATOM 930 CA GLY A 61 6.851 2.577 -12.166 1.00 2.35 C ATOM 931 C GLY A 61 7.337 2.477 -10.728 1.00 61.20 C ATOM 932 O GLY A 61 6.603 2.799 -9.793 1.00 33.44 O ATOM 0 H GLY A 61 4.974 2.882 -11.321 1.00 43.42 H new ATOM 0 HA2 GLY A 61 7.222 1.729 -12.742 1.00 2.35 H new ATOM 0 HA3 GLY A 61 7.251 3.478 -12.631 1.00 2.35 H new ATOM 936 N VAL A 62 8.579 2.038 -10.538 1.00 74.20 N ATOM 937 CA VAL A 62 9.220 2.023 -9.233 1.00 62.31 C ATOM 938 C VAL A 62 10.707 2.255 -9.439 1.00 43.10 C ATOM 939 O VAL A 62 11.299 1.733 -10.385 1.00 70.03 O ATOM 940 CB VAL A 62 8.907 0.705 -8.496 1.00 62.11 C ATOM 941 CG1 VAL A 62 9.667 -0.511 -9.049 1.00 10.15 C ATOM 942 CG2 VAL A 62 9.176 0.833 -6.998 1.00 51.11 C ATOM 0 H VAL A 62 9.168 1.682 -11.290 1.00 74.20 H new ATOM 0 HA VAL A 62 8.835 2.818 -8.595 1.00 62.31 H new ATOM 0 HB VAL A 62 7.846 0.526 -8.670 1.00 62.11 H new ATOM 0 HG11 VAL A 62 9.395 -1.400 -8.480 1.00 10.15 H new ATOM 0 HG12 VAL A 62 9.406 -0.657 -10.097 1.00 10.15 H new ATOM 0 HG13 VAL A 62 10.740 -0.340 -8.963 1.00 10.15 H new ATOM 0 HG21 VAL A 62 8.946 -0.112 -6.505 1.00 51.11 H new ATOM 0 HG22 VAL A 62 10.225 1.081 -6.837 1.00 51.11 H new ATOM 0 HG23 VAL A 62 8.549 1.621 -6.582 1.00 51.11 H new ATOM 952 N GLU A 63 11.317 3.009 -8.541 1.00 10.15 N ATOM 953 CA GLU A 63 12.737 3.334 -8.588 1.00 23.13 C ATOM 954 C GLU A 63 13.221 3.774 -7.200 1.00 1.55 C ATOM 955 O GLU A 63 12.392 4.117 -6.349 1.00 70.04 O ATOM 956 CB GLU A 63 13.018 4.367 -9.696 1.00 12.41 C ATOM 957 CG GLU A 63 12.370 5.741 -9.558 1.00 54.22 C ATOM 958 CD GLU A 63 13.325 6.867 -9.131 1.00 53.21 C ATOM 959 OE1 GLU A 63 14.130 7.309 -9.986 1.00 74.33 O ATOM 960 OE2 GLU A 63 13.216 7.348 -7.985 1.00 65.23 O ATOM 0 H GLU A 63 10.833 3.421 -7.743 1.00 10.15 H new ATOM 0 HA GLU A 63 13.313 2.447 -8.851 1.00 23.13 H new ATOM 0 HB2 GLU A 63 14.097 4.509 -9.758 1.00 12.41 H new ATOM 0 HB3 GLU A 63 12.698 3.938 -10.645 1.00 12.41 H new ATOM 0 HG2 GLU A 63 11.917 6.011 -10.512 1.00 54.22 H new ATOM 0 HG3 GLU A 63 11.562 5.674 -8.830 1.00 54.22 H new ATOM 967 N PRO A 64 14.533 3.690 -6.933 1.00 3.23 N ATOM 968 CA PRO A 64 15.131 4.136 -5.682 1.00 54.13 C ATOM 969 C PRO A 64 15.148 5.669 -5.627 1.00 51.14 C ATOM 970 O PRO A 64 15.924 6.274 -6.365 1.00 71.32 O ATOM 971 CB PRO A 64 16.548 3.538 -5.702 1.00 33.02 C ATOM 972 CG PRO A 64 16.890 3.428 -7.182 1.00 63.30 C ATOM 973 CD PRO A 64 15.543 3.076 -7.793 1.00 34.03 C ATOM 0 HA PRO A 64 14.580 3.814 -4.798 1.00 54.13 H new ATOM 0 HB2 PRO A 64 17.257 4.178 -5.177 1.00 33.02 H new ATOM 0 HB3 PRO A 64 16.575 2.564 -5.214 1.00 33.02 H new ATOM 0 HG2 PRO A 64 17.287 4.362 -7.580 1.00 63.30 H new ATOM 0 HG3 PRO A 64 17.638 2.658 -7.372 1.00 63.30 H new ATOM 0 HD2 PRO A 64 15.468 3.453 -8.813 1.00 34.03 H new ATOM 0 HD3 PRO A 64 15.408 1.995 -7.842 1.00 34.03 H new ATOM 981 N ALA A 65 14.357 6.331 -4.768 1.00 41.41 N ATOM 982 CA ALA A 65 14.213 7.795 -4.810 1.00 32.33 C ATOM 983 C ALA A 65 15.289 8.522 -3.997 1.00 32.41 C ATOM 984 O ALA A 65 15.044 9.602 -3.453 1.00 64.44 O ATOM 985 CB ALA A 65 12.792 8.234 -4.424 1.00 45.12 C ATOM 0 H ALA A 65 13.809 5.877 -4.038 1.00 41.41 H new ATOM 0 HA ALA A 65 14.372 8.095 -5.846 1.00 32.33 H new ATOM 0 HB1 ALA A 65 12.723 9.321 -4.466 1.00 45.12 H new ATOM 0 HB2 ALA A 65 12.075 7.798 -5.119 1.00 45.12 H new ATOM 0 HB3 ALA A 65 12.569 7.895 -3.412 1.00 45.12 H new ATOM 991 N GLY A 66 16.477 7.936 -3.912 1.00 12.33 N ATOM 992 CA GLY A 66 17.619 8.406 -3.146 1.00 44.51 C ATOM 993 C GLY A 66 18.197 7.213 -2.405 1.00 53.21 C ATOM 994 O GLY A 66 18.255 6.114 -2.962 1.00 61.31 O ATOM 0 H GLY A 66 16.678 7.067 -4.407 1.00 12.33 H new ATOM 0 HA2 GLY A 66 18.367 8.847 -3.805 1.00 44.51 H new ATOM 0 HA3 GLY A 66 17.316 9.183 -2.444 1.00 44.51 H new ATOM 998 N GLN A 67 18.611 7.407 -1.154 1.00 3.15 N ATOM 999 CA GLN A 67 19.225 6.353 -0.354 1.00 3.25 C ATOM 1000 C GLN A 67 18.342 5.889 0.808 1.00 3.01 C ATOM 1001 O GLN A 67 18.647 4.845 1.385 1.00 12.22 O ATOM 1002 CB GLN A 67 20.634 6.771 0.113 1.00 32.54 C ATOM 1003 CG GLN A 67 21.532 7.336 -0.999 1.00 22.14 C ATOM 1004 CD GLN A 67 21.635 6.431 -2.227 1.00 65.10 C ATOM 1005 OE1 GLN A 67 21.568 5.212 -2.142 1.00 61.50 O ATOM 1006 NE2 GLN A 67 21.826 6.995 -3.408 1.00 61.32 N ATOM 0 H GLN A 67 18.529 8.300 -0.668 1.00 3.15 H new ATOM 0 HA GLN A 67 19.331 5.482 -1.001 1.00 3.25 H new ATOM 0 HB2 GLN A 67 20.535 7.520 0.899 1.00 32.54 H new ATOM 0 HB3 GLN A 67 21.127 5.906 0.557 1.00 32.54 H new ATOM 0 HG2 GLN A 67 21.146 8.308 -1.307 1.00 22.14 H new ATOM 0 HG3 GLN A 67 22.531 7.503 -0.597 1.00 22.14 H new ATOM 0 HE21 GLN A 67 21.883 8.011 -3.485 1.00 61.32 H new ATOM 0 HE22 GLN A 67 21.917 6.414 -4.242 1.00 61.32 H new ATOM 1015 N TYR A 68 17.255 6.594 1.135 1.00 63.11 N ATOM 1016 CA TYR A 68 16.487 6.411 2.373 1.00 22.31 C ATOM 1017 C TYR A 68 14.970 6.427 2.188 1.00 73.21 C ATOM 1018 O TYR A 68 14.259 6.120 3.144 1.00 53.53 O ATOM 1019 CB TYR A 68 16.887 7.482 3.402 1.00 30.24 C ATOM 1020 CG TYR A 68 17.180 8.860 2.834 1.00 23.54 C ATOM 1021 CD1 TYR A 68 18.459 9.120 2.315 1.00 63.33 C ATOM 1022 CD2 TYR A 68 16.201 9.870 2.814 1.00 2.44 C ATOM 1023 CE1 TYR A 68 18.768 10.365 1.754 1.00 61.23 C ATOM 1024 CE2 TYR A 68 16.519 11.145 2.308 1.00 21.34 C ATOM 1025 CZ TYR A 68 17.798 11.389 1.759 1.00 31.23 C ATOM 1026 OH TYR A 68 18.100 12.599 1.218 1.00 61.54 O ATOM 0 H TYR A 68 16.875 7.325 0.534 1.00 63.11 H new ATOM 0 HA TYR A 68 16.739 5.412 2.728 1.00 22.31 H new ATOM 0 HB2 TYR A 68 16.085 7.574 4.135 1.00 30.24 H new ATOM 0 HB3 TYR A 68 17.770 7.134 3.938 1.00 30.24 H new ATOM 0 HD1 TYR A 68 19.214 8.349 2.349 1.00 63.33 H new ATOM 0 HD2 TYR A 68 15.207 9.668 3.186 1.00 2.44 H new ATOM 0 HE1 TYR A 68 19.742 10.540 1.321 1.00 61.23 H new ATOM 0 HE2 TYR A 68 15.785 11.937 2.340 1.00 21.34 H new ATOM 0 HH TYR A 68 17.327 13.195 1.298 1.00 61.54 H new ATOM 1036 N ALA A 69 14.474 6.771 1.003 1.00 42.33 N ATOM 1037 CA ALA A 69 13.082 6.870 0.622 1.00 61.02 C ATOM 1038 C ALA A 69 12.956 6.394 -0.833 1.00 24.03 C ATOM 1039 O ALA A 69 13.780 6.756 -1.675 1.00 24.25 O ATOM 1040 CB ALA A 69 12.603 8.310 0.804 1.00 14.45 C ATOM 0 H ALA A 69 15.092 7.005 0.226 1.00 42.33 H new ATOM 0 HA ALA A 69 12.451 6.242 1.251 1.00 61.02 H new ATOM 0 HB1 ALA A 69 11.554 8.384 0.517 1.00 14.45 H new ATOM 0 HB2 ALA A 69 12.714 8.601 1.848 1.00 14.45 H new ATOM 0 HB3 ALA A 69 13.198 8.974 0.177 1.00 14.45 H new ATOM 1046 N LEU A 70 11.951 5.561 -1.101 1.00 50.30 N ATOM 1047 CA LEU A 70 11.624 4.873 -2.356 1.00 50.22 C ATOM 1048 C LEU A 70 10.575 5.738 -3.099 1.00 3.22 C ATOM 1049 O LEU A 70 9.796 6.430 -2.439 1.00 30.13 O ATOM 1050 CB LEU A 70 11.059 3.507 -1.918 1.00 72.24 C ATOM 1051 CG LEU A 70 10.843 2.344 -2.896 1.00 70.14 C ATOM 1052 CD1 LEU A 70 10.069 2.713 -4.140 1.00 3.31 C ATOM 1053 CD2 LEU A 70 12.152 1.664 -3.285 1.00 73.22 C ATOM 0 H LEU A 70 11.276 5.326 -0.373 1.00 50.30 H new ATOM 0 HA LEU A 70 12.466 4.728 -3.033 1.00 50.22 H new ATOM 0 HB2 LEU A 70 11.719 3.135 -1.134 1.00 72.24 H new ATOM 0 HB3 LEU A 70 10.093 3.705 -1.453 1.00 72.24 H new ATOM 0 HG LEU A 70 10.227 1.640 -2.337 1.00 70.14 H new ATOM 0 HD11 LEU A 70 9.962 1.834 -4.776 1.00 3.31 H new ATOM 0 HD12 LEU A 70 9.082 3.080 -3.859 1.00 3.31 H new ATOM 0 HD13 LEU A 70 10.604 3.491 -4.684 1.00 3.31 H new ATOM 0 HD21 LEU A 70 11.946 0.848 -3.978 1.00 73.22 H new ATOM 0 HD22 LEU A 70 12.811 2.389 -3.763 1.00 73.22 H new ATOM 0 HD23 LEU A 70 12.636 1.268 -2.392 1.00 73.22 H new ATOM 1065 N LYS A 71 10.527 5.695 -4.438 1.00 45.43 N ATOM 1066 CA LYS A 71 9.585 6.419 -5.311 1.00 23.02 C ATOM 1067 C LYS A 71 8.131 5.929 -5.191 1.00 64.20 C ATOM 1068 O LYS A 71 7.315 6.624 -4.602 1.00 24.11 O ATOM 1069 CB LYS A 71 10.137 6.329 -6.746 1.00 42.12 C ATOM 1070 CG LYS A 71 9.489 7.199 -7.830 1.00 44.42 C ATOM 1071 CD LYS A 71 9.506 8.697 -7.519 1.00 1.44 C ATOM 1072 CE LYS A 71 9.219 9.467 -8.817 1.00 2.34 C ATOM 1073 NZ LYS A 71 8.919 10.893 -8.585 1.00 3.44 N ATOM 0 H LYS A 71 11.180 5.123 -4.973 1.00 45.43 H new ATOM 0 HA LYS A 71 9.522 7.461 -4.997 1.00 23.02 H new ATOM 0 HB2 LYS A 71 11.198 6.577 -6.710 1.00 42.12 H new ATOM 0 HB3 LYS A 71 10.064 5.290 -7.066 1.00 42.12 H new ATOM 0 HG2 LYS A 71 10.005 7.029 -8.775 1.00 44.42 H new ATOM 0 HG3 LYS A 71 8.456 6.879 -7.969 1.00 44.42 H new ATOM 0 HD2 LYS A 71 8.757 8.936 -6.763 1.00 1.44 H new ATOM 0 HD3 LYS A 71 10.474 8.988 -7.112 1.00 1.44 H new ATOM 0 HE2 LYS A 71 10.080 9.385 -9.480 1.00 2.34 H new ATOM 0 HE3 LYS A 71 8.377 9.003 -9.330 1.00 2.34 H new ATOM 0 HZ1 LYS A 71 9.115 11.434 -9.451 1.00 3.44 H new ATOM 0 HZ2 LYS A 71 7.916 11.000 -8.330 1.00 3.44 H new ATOM 0 HZ3 LYS A 71 9.513 11.251 -7.811 1.00 3.44 H new ATOM 1087 N LEU A 72 7.828 4.722 -5.694 1.00 42.10 N ATOM 1088 CA LEU A 72 6.500 4.082 -5.764 1.00 3.45 C ATOM 1089 C LEU A 72 5.457 4.911 -6.542 1.00 24.21 C ATOM 1090 O LEU A 72 4.706 5.687 -5.963 1.00 10.55 O ATOM 1091 CB LEU A 72 6.006 3.685 -4.352 1.00 25.24 C ATOM 1092 CG LEU A 72 6.217 2.207 -3.982 1.00 41.33 C ATOM 1093 CD1 LEU A 72 5.991 2.015 -2.480 1.00 41.31 C ATOM 1094 CD2 LEU A 72 5.272 1.312 -4.792 1.00 12.52 C ATOM 0 H LEU A 72 8.553 4.124 -6.091 1.00 42.10 H new ATOM 0 HA LEU A 72 6.622 3.169 -6.346 1.00 3.45 H new ATOM 0 HB2 LEU A 72 6.519 4.305 -3.616 1.00 25.24 H new ATOM 0 HB3 LEU A 72 4.943 3.915 -4.277 1.00 25.24 H new ATOM 0 HG LEU A 72 7.241 1.921 -4.223 1.00 41.33 H new ATOM 0 HD11 LEU A 72 6.141 0.967 -2.221 1.00 41.31 H new ATOM 0 HD12 LEU A 72 6.698 2.631 -1.924 1.00 41.31 H new ATOM 0 HD13 LEU A 72 4.973 2.310 -2.225 1.00 41.31 H new ATOM 0 HD21 LEU A 72 5.434 0.270 -4.518 1.00 12.52 H new ATOM 0 HD22 LEU A 72 4.239 1.587 -4.579 1.00 12.52 H new ATOM 0 HD23 LEU A 72 5.470 1.443 -5.856 1.00 12.52 H new ATOM 1106 N SER A 73 5.377 4.736 -7.866 1.00 12.11 N ATOM 1107 CA SER A 73 4.478 5.504 -8.728 1.00 71.33 C ATOM 1108 C SER A 73 3.157 4.774 -8.893 1.00 31.15 C ATOM 1109 O SER A 73 3.106 3.733 -9.554 1.00 43.42 O ATOM 1110 CB SER A 73 5.116 5.758 -10.096 1.00 25.02 C ATOM 1111 OG SER A 73 6.341 6.449 -9.972 1.00 34.15 O ATOM 0 H SER A 73 5.940 4.051 -8.371 1.00 12.11 H new ATOM 0 HA SER A 73 4.293 6.468 -8.254 1.00 71.33 H new ATOM 0 HB2 SER A 73 5.282 4.808 -10.604 1.00 25.02 H new ATOM 0 HB3 SER A 73 4.432 6.336 -10.717 1.00 25.02 H new ATOM 0 HG SER A 73 6.726 6.595 -10.861 1.00 34.15 H new ATOM 1117 N PHE A 74 2.090 5.325 -8.323 1.00 21.34 N ATOM 1118 CA PHE A 74 0.761 4.763 -8.450 1.00 30.44 C ATOM 1119 C PHE A 74 0.002 5.484 -9.557 1.00 64.42 C ATOM 1120 O PHE A 74 -0.047 6.709 -9.585 1.00 24.32 O ATOM 1121 CB PHE A 74 0.010 4.904 -7.120 1.00 23.11 C ATOM 1122 CG PHE A 74 0.712 4.303 -5.919 1.00 21.43 C ATOM 1123 CD1 PHE A 74 1.620 5.069 -5.166 1.00 74.12 C ATOM 1124 CD2 PHE A 74 0.478 2.966 -5.557 1.00 22.02 C ATOM 1125 CE1 PHE A 74 2.230 4.528 -4.027 1.00 25.35 C ATOM 1126 CE2 PHE A 74 1.097 2.418 -4.424 1.00 10.52 C ATOM 1127 CZ PHE A 74 1.965 3.204 -3.646 1.00 4.31 C ATOM 0 H PHE A 74 2.129 6.175 -7.760 1.00 21.34 H new ATOM 0 HA PHE A 74 0.839 3.706 -8.703 1.00 30.44 H new ATOM 0 HB2 PHE A 74 -0.162 5.963 -6.928 1.00 23.11 H new ATOM 0 HB3 PHE A 74 -0.969 4.435 -7.222 1.00 23.11 H new ATOM 0 HD1 PHE A 74 1.848 6.081 -5.468 1.00 74.12 H new ATOM 0 HD2 PHE A 74 -0.183 2.356 -6.155 1.00 22.02 H new ATOM 0 HE1 PHE A 74 2.906 5.132 -3.440 1.00 25.35 H new ATOM 0 HE2 PHE A 74 0.907 1.391 -4.149 1.00 10.52 H new ATOM 0 HZ PHE A 74 2.425 2.791 -2.760 1.00 4.31 H new ATOM 1137 N ASP A 75 -0.645 4.700 -10.413 1.00 25.21 N ATOM 1138 CA ASP A 75 -1.507 5.108 -11.524 1.00 54.14 C ATOM 1139 C ASP A 75 -2.659 5.996 -11.051 1.00 25.05 C ATOM 1140 O ASP A 75 -3.068 6.920 -11.745 1.00 74.04 O ATOM 1141 CB ASP A 75 -2.040 3.825 -12.168 1.00 34.12 C ATOM 1142 CG ASP A 75 -2.936 4.036 -13.391 1.00 5.44 C ATOM 1143 OD1 ASP A 75 -2.431 4.388 -14.482 1.00 2.45 O ATOM 1144 OD2 ASP A 75 -4.131 3.678 -13.295 1.00 32.33 O ATOM 0 H ASP A 75 -0.577 3.685 -10.345 1.00 25.21 H new ATOM 0 HA ASP A 75 -0.940 5.701 -12.241 1.00 54.14 H new ATOM 0 HB2 ASP A 75 -1.193 3.205 -12.460 1.00 34.12 H new ATOM 0 HB3 ASP A 75 -2.600 3.266 -11.418 1.00 34.12 H new ATOM 1149 N ASP A 76 -3.104 5.760 -9.817 1.00 53.33 N ATOM 1150 CA ASP A 76 -4.146 6.485 -9.093 1.00 31.04 C ATOM 1151 C ASP A 76 -3.791 7.948 -8.819 1.00 3.33 C ATOM 1152 O ASP A 76 -4.686 8.788 -8.705 1.00 5.54 O ATOM 1153 CB ASP A 76 -4.336 5.734 -7.772 1.00 14.33 C ATOM 1154 CG ASP A 76 -5.483 6.241 -6.896 1.00 14.30 C ATOM 1155 OD1 ASP A 76 -6.593 5.671 -7.026 1.00 3.51 O ATOM 1156 OD2 ASP A 76 -5.231 7.042 -5.970 1.00 24.12 O ATOM 0 H ASP A 76 -2.716 5.001 -9.257 1.00 53.33 H new ATOM 0 HA ASP A 76 -5.053 6.519 -9.697 1.00 31.04 H new ATOM 0 HB2 ASP A 76 -4.506 4.680 -7.992 1.00 14.33 H new ATOM 0 HB3 ASP A 76 -3.409 5.795 -7.201 1.00 14.33 H new ATOM 1161 N GLY A 77 -2.496 8.267 -8.727 1.00 2.41 N ATOM 1162 CA GLY A 77 -2.026 9.601 -8.383 1.00 73.21 C ATOM 1163 C GLY A 77 -1.067 9.617 -7.212 1.00 3.54 C ATOM 1164 O GLY A 77 -0.795 8.580 -6.597 1.00 12.21 O ATOM 0 H GLY A 77 -1.744 7.598 -8.891 1.00 2.41 H new ATOM 0 HA2 GLY A 77 -1.535 10.040 -9.251 1.00 73.21 H new ATOM 0 HA3 GLY A 77 -2.884 10.231 -8.149 1.00 73.21 H new ATOM 1168 N HIS A 78 -0.627 10.836 -6.876 1.00 62.41 N ATOM 1169 CA HIS A 78 0.185 11.174 -5.715 1.00 34.41 C ATOM 1170 C HIS A 78 1.433 10.289 -5.663 1.00 74.23 C ATOM 1171 O HIS A 78 1.701 9.606 -4.678 1.00 74.30 O ATOM 1172 CB HIS A 78 -0.732 11.190 -4.481 1.00 54.13 C ATOM 1173 CG HIS A 78 -0.190 11.796 -3.212 1.00 21.34 C ATOM 1174 ND1 HIS A 78 -0.941 11.978 -2.074 1.00 33.41 N ATOM 1175 CD2 HIS A 78 1.098 12.164 -2.921 1.00 50.31 C ATOM 1176 CE1 HIS A 78 -0.137 12.463 -1.118 1.00 5.15 C ATOM 1177 NE2 HIS A 78 1.125 12.566 -1.579 1.00 24.05 N ATOM 0 H HIS A 78 -0.844 11.655 -7.444 1.00 62.41 H new ATOM 0 HA HIS A 78 0.610 12.177 -5.764 1.00 34.41 H new ATOM 0 HB2 HIS A 78 -1.642 11.727 -4.747 1.00 54.13 H new ATOM 0 HB3 HIS A 78 -1.021 10.161 -4.265 1.00 54.13 H new ATOM 0 HD1 HIS A 78 -1.936 11.779 -1.975 1.00 33.41 H new ATOM 0 HD2 HIS A 78 1.937 12.147 -3.601 1.00 50.31 H new ATOM 0 HE1 HIS A 78 -0.455 12.733 -0.122 1.00 5.15 H new ATOM 1185 N ASP A 79 2.185 10.304 -6.767 1.00 65.21 N ATOM 1186 CA ASP A 79 3.400 9.521 -6.981 1.00 64.03 C ATOM 1187 C ASP A 79 4.372 9.630 -5.803 1.00 21.01 C ATOM 1188 O ASP A 79 4.905 8.628 -5.342 1.00 22.33 O ATOM 1189 CB ASP A 79 4.072 9.930 -8.317 1.00 13.14 C ATOM 1190 CG ASP A 79 5.351 10.768 -8.159 1.00 42.30 C ATOM 1191 OD1 ASP A 79 6.422 10.213 -7.853 1.00 63.34 O ATOM 1192 OD2 ASP A 79 5.309 12.010 -8.306 1.00 32.15 O ATOM 0 H ASP A 79 1.951 10.888 -7.570 1.00 65.21 H new ATOM 0 HA ASP A 79 3.115 8.471 -7.046 1.00 64.03 H new ATOM 0 HB2 ASP A 79 4.312 9.028 -8.879 1.00 13.14 H new ATOM 0 HB3 ASP A 79 3.354 10.495 -8.912 1.00 13.14 H new ATOM 1197 N SER A 80 4.617 10.838 -5.306 1.00 65.31 N ATOM 1198 CA SER A 80 5.742 11.118 -4.430 1.00 4.23 C ATOM 1199 C SER A 80 5.272 11.020 -2.978 1.00 23.01 C ATOM 1200 O SER A 80 5.271 11.998 -2.229 1.00 42.52 O ATOM 1201 CB SER A 80 6.440 12.433 -4.839 1.00 52.22 C ATOM 1202 OG SER A 80 5.728 13.187 -5.819 1.00 42.24 O ATOM 0 H SER A 80 4.036 11.653 -5.503 1.00 65.31 H new ATOM 0 HA SER A 80 6.531 10.373 -4.532 1.00 4.23 H new ATOM 0 HB2 SER A 80 6.579 13.050 -3.951 1.00 52.22 H new ATOM 0 HB3 SER A 80 7.433 12.201 -5.225 1.00 52.22 H new ATOM 0 HG SER A 80 5.775 12.727 -6.683 1.00 42.24 H new ATOM 1208 N GLY A 81 4.821 9.828 -2.583 1.00 31.15 N ATOM 1209 CA GLY A 81 4.331 9.592 -1.231 1.00 52.12 C ATOM 1210 C GLY A 81 5.442 9.687 -0.191 1.00 31.33 C ATOM 1211 O GLY A 81 5.156 10.122 0.924 1.00 1.24 O ATOM 0 H GLY A 81 4.787 9.008 -3.188 1.00 31.15 H new ATOM 0 HA2 GLY A 81 3.553 10.318 -0.996 1.00 52.12 H new ATOM 0 HA3 GLY A 81 3.871 8.605 -1.180 1.00 52.12 H new ATOM 1215 N LEU A 82 6.682 9.343 -0.575 1.00 2.32 N ATOM 1216 CA LEU A 82 7.900 9.312 0.239 1.00 10.51 C ATOM 1217 C LEU A 82 7.868 8.098 1.165 1.00 71.04 C ATOM 1218 O LEU A 82 7.082 8.049 2.112 1.00 50.34 O ATOM 1219 CB LEU A 82 8.103 10.638 0.992 1.00 23.33 C ATOM 1220 CG LEU A 82 9.550 10.895 1.453 1.00 65.23 C ATOM 1221 CD1 LEU A 82 9.705 12.382 1.782 1.00 31.42 C ATOM 1222 CD2 LEU A 82 9.953 10.088 2.696 1.00 30.32 C ATOM 0 H LEU A 82 6.869 9.058 -1.536 1.00 2.32 H new ATOM 0 HA LEU A 82 8.768 9.206 -0.412 1.00 10.51 H new ATOM 0 HB2 LEU A 82 7.789 11.459 0.347 1.00 23.33 H new ATOM 0 HB3 LEU A 82 7.450 10.650 1.864 1.00 23.33 H new ATOM 0 HG LEU A 82 10.199 10.580 0.636 1.00 65.23 H new ATOM 0 HD11 LEU A 82 10.726 12.578 2.110 1.00 31.42 H new ATOM 0 HD12 LEU A 82 9.489 12.976 0.894 1.00 31.42 H new ATOM 0 HD13 LEU A 82 9.010 12.653 2.577 1.00 31.42 H new ATOM 0 HD21 LEU A 82 10.984 10.320 2.962 1.00 30.32 H new ATOM 0 HD22 LEU A 82 9.297 10.347 3.527 1.00 30.32 H new ATOM 0 HD23 LEU A 82 9.865 9.023 2.483 1.00 30.32 H new ATOM 1234 N PHE A 83 8.705 7.098 0.874 1.00 13.52 N ATOM 1235 CA PHE A 83 8.589 5.760 1.443 1.00 70.03 C ATOM 1236 C PHE A 83 9.881 5.309 2.109 1.00 71.42 C ATOM 1237 O PHE A 83 10.744 4.731 1.439 1.00 42.30 O ATOM 1238 CB PHE A 83 8.129 4.816 0.335 1.00 22.12 C ATOM 1239 CG PHE A 83 6.659 4.980 0.052 1.00 70.12 C ATOM 1240 CD1 PHE A 83 5.743 4.550 1.025 1.00 5.24 C ATOM 1241 CD2 PHE A 83 6.208 5.606 -1.125 1.00 42.44 C ATOM 1242 CE1 PHE A 83 4.372 4.719 0.817 1.00 1.54 C ATOM 1243 CE2 PHE A 83 4.828 5.763 -1.341 1.00 5.25 C ATOM 1244 CZ PHE A 83 3.915 5.309 -0.369 1.00 43.23 C ATOM 0 H PHE A 83 9.489 7.200 0.230 1.00 13.52 H new ATOM 0 HA PHE A 83 7.849 5.757 2.243 1.00 70.03 H new ATOM 0 HB2 PHE A 83 8.700 5.011 -0.573 1.00 22.12 H new ATOM 0 HB3 PHE A 83 8.333 3.785 0.625 1.00 22.12 H new ATOM 0 HD1 PHE A 83 6.098 4.088 1.934 1.00 5.24 H new ATOM 0 HD2 PHE A 83 6.917 5.963 -1.857 1.00 42.44 H new ATOM 0 HE1 PHE A 83 3.666 4.396 1.568 1.00 1.54 H new ATOM 0 HE2 PHE A 83 4.470 6.229 -2.247 1.00 5.25 H new ATOM 0 HZ PHE A 83 2.854 5.417 -0.539 1.00 43.23 H new ATOM 1254 N THR A 84 10.035 5.593 3.403 1.00 65.33 N ATOM 1255 CA THR A 84 11.242 5.260 4.146 1.00 73.21 C ATOM 1256 C THR A 84 11.463 3.745 4.210 1.00 14.42 C ATOM 1257 O THR A 84 10.510 2.962 4.213 1.00 2.31 O ATOM 1258 CB THR A 84 11.229 5.917 5.544 1.00 71.21 C ATOM 1259 OG1 THR A 84 9.914 6.096 6.038 1.00 13.34 O ATOM 1260 CG2 THR A 84 11.913 7.282 5.472 1.00 50.40 C ATOM 0 H THR A 84 9.322 6.061 3.963 1.00 65.33 H new ATOM 0 HA THR A 84 12.096 5.672 3.608 1.00 73.21 H new ATOM 0 HB THR A 84 11.760 5.249 6.222 1.00 71.21 H new ATOM 0 HG1 THR A 84 9.951 6.512 6.924 1.00 13.34 H new ATOM 0 HG21 THR A 84 11.904 7.746 6.458 1.00 50.40 H new ATOM 0 HG22 THR A 84 12.943 7.156 5.140 1.00 50.40 H new ATOM 0 HG23 THR A 84 11.380 7.919 4.766 1.00 50.40 H new ATOM 1268 N TRP A 85 12.731 3.323 4.263 1.00 31.14 N ATOM 1269 CA TRP A 85 13.093 1.908 4.322 1.00 52.33 C ATOM 1270 C TRP A 85 12.446 1.196 5.500 1.00 41.24 C ATOM 1271 O TRP A 85 11.914 0.096 5.335 1.00 64.43 O ATOM 1272 CB TRP A 85 14.617 1.747 4.377 1.00 42.00 C ATOM 1273 CG TRP A 85 15.313 1.969 3.071 1.00 25.43 C ATOM 1274 CD1 TRP A 85 16.366 2.791 2.873 1.00 24.44 C ATOM 1275 CD2 TRP A 85 14.998 1.403 1.759 1.00 43.10 C ATOM 1276 NE1 TRP A 85 16.753 2.741 1.554 1.00 53.40 N ATOM 1277 CE2 TRP A 85 15.906 1.953 0.807 1.00 74.03 C ATOM 1278 CE3 TRP A 85 13.977 0.569 1.248 1.00 21.43 C ATOM 1279 CZ2 TRP A 85 15.759 1.741 -0.572 1.00 25.43 C ATOM 1280 CZ3 TRP A 85 13.848 0.327 -0.129 1.00 51.12 C ATOM 1281 CH2 TRP A 85 14.750 0.897 -1.037 1.00 61.14 C ATOM 0 H TRP A 85 13.532 3.954 4.266 1.00 31.14 H new ATOM 0 HA TRP A 85 12.714 1.442 3.413 1.00 52.33 H new ATOM 0 HB2 TRP A 85 15.017 2.447 5.111 1.00 42.00 H new ATOM 0 HB3 TRP A 85 14.851 0.744 4.733 1.00 42.00 H new ATOM 0 HD1 TRP A 85 16.834 3.396 3.635 1.00 24.44 H new ATOM 0 HE1 TRP A 85 17.566 3.227 1.176 1.00 53.40 H new ATOM 0 HE3 TRP A 85 13.281 0.108 1.932 1.00 21.43 H new ATOM 0 HZ2 TRP A 85 16.423 2.229 -1.270 1.00 25.43 H new ATOM 0 HZ3 TRP A 85 13.048 -0.303 -0.491 1.00 51.12 H new ATOM 0 HH2 TRP A 85 14.665 0.684 -2.092 1.00 61.14 H new ATOM 1292 N ASP A 86 12.483 1.851 6.661 1.00 52.42 N ATOM 1293 CA ASP A 86 11.898 1.372 7.907 1.00 44.44 C ATOM 1294 C ASP A 86 10.441 0.982 7.644 1.00 3.25 C ATOM 1295 O ASP A 86 10.062 -0.177 7.828 1.00 12.34 O ATOM 1296 CB ASP A 86 12.045 2.453 9.002 1.00 15.13 C ATOM 1297 CG ASP A 86 12.787 1.909 10.223 1.00 41.42 C ATOM 1298 OD1 ASP A 86 14.034 1.870 10.172 1.00 31.41 O ATOM 1299 OD2 ASP A 86 12.146 1.403 11.173 1.00 14.02 O ATOM 0 H ASP A 86 12.937 2.759 6.760 1.00 52.42 H new ATOM 0 HA ASP A 86 12.419 0.487 8.271 1.00 44.44 H new ATOM 0 HB2 ASP A 86 12.583 3.311 8.599 1.00 15.13 H new ATOM 0 HB3 ASP A 86 11.059 2.807 9.301 1.00 15.13 H new ATOM 1304 N TYR A 87 9.660 1.935 7.125 1.00 31.31 N ATOM 1305 CA TYR A 87 8.229 1.819 6.882 1.00 32.05 C ATOM 1306 C TYR A 87 7.874 0.772 5.825 1.00 13.33 C ATOM 1307 O TYR A 87 6.872 0.068 5.953 1.00 32.33 O ATOM 1308 CB TYR A 87 7.688 3.185 6.437 1.00 64.04 C ATOM 1309 CG TYR A 87 6.185 3.238 6.230 1.00 70.14 C ATOM 1310 CD1 TYR A 87 5.324 2.660 7.179 1.00 13.33 C ATOM 1311 CD2 TYR A 87 5.640 3.864 5.092 1.00 22.01 C ATOM 1312 CE1 TYR A 87 3.940 2.811 7.071 1.00 61.14 C ATOM 1313 CE2 TYR A 87 4.245 3.968 4.939 1.00 52.31 C ATOM 1314 CZ TYR A 87 3.394 3.485 5.962 1.00 3.33 C ATOM 1315 OH TYR A 87 2.044 3.594 5.888 1.00 44.50 O ATOM 0 H TYR A 87 10.030 2.846 6.853 1.00 31.31 H new ATOM 0 HA TYR A 87 7.772 1.492 7.816 1.00 32.05 H new ATOM 0 HB2 TYR A 87 7.964 3.930 7.183 1.00 64.04 H new ATOM 0 HB3 TYR A 87 8.179 3.469 5.506 1.00 64.04 H new ATOM 0 HD1 TYR A 87 5.737 2.093 8.000 1.00 13.33 H new ATOM 0 HD2 TYR A 87 6.296 4.266 4.334 1.00 22.01 H new ATOM 0 HE1 TYR A 87 3.290 2.412 7.836 1.00 61.14 H new ATOM 0 HE2 TYR A 87 3.827 4.413 4.048 1.00 52.31 H new ATOM 0 HH TYR A 87 1.760 3.509 4.954 1.00 44.50 H new ATOM 1325 N LEU A 88 8.668 0.663 4.760 1.00 70.44 N ATOM 1326 CA LEU A 88 8.356 -0.247 3.662 1.00 62.20 C ATOM 1327 C LEU A 88 8.278 -1.685 4.163 1.00 20.31 C ATOM 1328 O LEU A 88 7.303 -2.400 3.909 1.00 0.12 O ATOM 1329 CB LEU A 88 9.410 -0.133 2.561 1.00 62.24 C ATOM 1330 CG LEU A 88 9.245 1.105 1.669 1.00 21.02 C ATOM 1331 CD1 LEU A 88 10.505 1.218 0.823 1.00 21.43 C ATOM 1332 CD2 LEU A 88 8.003 1.040 0.770 1.00 11.23 C ATOM 0 H LEU A 88 9.530 1.193 4.636 1.00 70.44 H new ATOM 0 HA LEU A 88 7.386 0.032 3.252 1.00 62.20 H new ATOM 0 HB2 LEU A 88 10.399 -0.110 3.019 1.00 62.24 H new ATOM 0 HB3 LEU A 88 9.368 -1.026 1.938 1.00 62.24 H new ATOM 0 HG LEU A 88 9.102 1.981 2.302 1.00 21.02 H new ATOM 0 HD11 LEU A 88 10.429 2.089 0.172 1.00 21.43 H new ATOM 0 HD12 LEU A 88 11.372 1.327 1.474 1.00 21.43 H new ATOM 0 HD13 LEU A 88 10.618 0.320 0.216 1.00 21.43 H new ATOM 0 HD21 LEU A 88 7.944 1.945 0.165 1.00 11.23 H new ATOM 0 HD22 LEU A 88 8.072 0.170 0.117 1.00 11.23 H new ATOM 0 HD23 LEU A 88 7.110 0.959 1.389 1.00 11.23 H new ATOM 1344 N TYR A 89 9.319 -2.114 4.877 1.00 2.23 N ATOM 1345 CA TYR A 89 9.361 -3.457 5.433 1.00 14.22 C ATOM 1346 C TYR A 89 8.465 -3.596 6.663 1.00 64.34 C ATOM 1347 O TYR A 89 8.040 -4.710 6.958 1.00 51.54 O ATOM 1348 CB TYR A 89 10.810 -3.843 5.736 1.00 51.13 C ATOM 1349 CG TYR A 89 11.498 -4.631 4.640 1.00 22.14 C ATOM 1350 CD1 TYR A 89 10.886 -5.745 4.032 1.00 0.12 C ATOM 1351 CD2 TYR A 89 12.804 -4.280 4.268 1.00 14.45 C ATOM 1352 CE1 TYR A 89 11.580 -6.471 3.057 1.00 21.44 C ATOM 1353 CE2 TYR A 89 13.531 -5.070 3.372 1.00 74.00 C ATOM 1354 CZ TYR A 89 12.919 -6.172 2.748 1.00 1.55 C ATOM 1355 OH TYR A 89 13.621 -6.939 1.875 1.00 75.33 O ATOM 0 H TYR A 89 10.142 -1.547 5.081 1.00 2.23 H new ATOM 0 HA TYR A 89 8.964 -4.150 4.691 1.00 14.22 H new ATOM 0 HB2 TYR A 89 11.382 -2.934 5.925 1.00 51.13 H new ATOM 0 HB3 TYR A 89 10.831 -4.430 6.654 1.00 51.13 H new ATOM 0 HD1 TYR A 89 9.886 -6.037 4.317 1.00 0.12 H new ATOM 0 HD2 TYR A 89 13.254 -3.388 4.679 1.00 14.45 H new ATOM 0 HE1 TYR A 89 11.080 -7.273 2.534 1.00 21.44 H new ATOM 0 HE2 TYR A 89 14.563 -4.834 3.159 1.00 74.00 H new ATOM 0 HH TYR A 89 13.756 -7.831 2.258 1.00 75.33 H new ATOM 1365 N GLU A 90 8.126 -2.501 7.344 1.00 41.21 N ATOM 1366 CA GLU A 90 7.136 -2.509 8.411 1.00 44.34 C ATOM 1367 C GLU A 90 5.819 -3.041 7.833 1.00 3.14 C ATOM 1368 O GLU A 90 5.352 -4.117 8.214 1.00 55.32 O ATOM 1369 CB GLU A 90 7.011 -1.084 8.979 1.00 35.15 C ATOM 1370 CG GLU A 90 6.265 -0.996 10.307 1.00 72.04 C ATOM 1371 CD GLU A 90 6.298 0.418 10.905 1.00 62.11 C ATOM 1372 OE1 GLU A 90 6.481 1.408 10.164 1.00 32.45 O ATOM 1373 OE2 GLU A 90 6.125 0.523 12.138 1.00 4.23 O ATOM 0 H GLU A 90 8.534 -1.583 7.167 1.00 41.21 H new ATOM 0 HA GLU A 90 7.425 -3.160 9.236 1.00 44.34 H new ATOM 0 HB2 GLU A 90 8.011 -0.670 9.110 1.00 35.15 H new ATOM 0 HB3 GLU A 90 6.500 -0.458 8.247 1.00 35.15 H new ATOM 0 HG2 GLU A 90 5.229 -1.301 10.159 1.00 72.04 H new ATOM 0 HG3 GLU A 90 6.706 -1.697 11.015 1.00 72.04 H new ATOM 1380 N LEU A 91 5.272 -2.337 6.839 1.00 41.33 N ATOM 1381 CA LEU A 91 4.016 -2.670 6.177 1.00 52.24 C ATOM 1382 C LEU A 91 4.007 -4.084 5.600 1.00 32.34 C ATOM 1383 O LEU A 91 2.958 -4.722 5.678 1.00 44.31 O ATOM 1384 CB LEU A 91 3.745 -1.665 5.049 1.00 23.33 C ATOM 1385 CG LEU A 91 3.353 -0.238 5.473 1.00 74.43 C ATOM 1386 CD1 LEU A 91 3.187 0.615 4.208 1.00 71.10 C ATOM 1387 CD2 LEU A 91 2.052 -0.196 6.281 1.00 13.23 C ATOM 0 H LEU A 91 5.707 -1.494 6.464 1.00 41.33 H new ATOM 0 HA LEU A 91 3.235 -2.621 6.935 1.00 52.24 H new ATOM 0 HB2 LEU A 91 4.638 -1.602 4.428 1.00 23.33 H new ATOM 0 HB3 LEU A 91 2.948 -2.064 4.422 1.00 23.33 H new ATOM 0 HG LEU A 91 4.143 0.149 6.117 1.00 74.43 H new ATOM 0 HD11 LEU A 91 2.909 1.631 4.488 1.00 71.10 H new ATOM 0 HD12 LEU A 91 4.127 0.635 3.657 1.00 71.10 H new ATOM 0 HD13 LEU A 91 2.407 0.186 3.579 1.00 71.10 H new ATOM 0 HD21 LEU A 91 1.825 0.835 6.552 1.00 13.23 H new ATOM 0 HD22 LEU A 91 1.237 -0.601 5.680 1.00 13.23 H new ATOM 0 HD23 LEU A 91 2.166 -0.793 7.186 1.00 13.23 H new ATOM 1399 N ALA A 92 5.140 -4.585 5.085 1.00 75.14 N ATOM 1400 CA ALA A 92 5.267 -5.962 4.599 1.00 13.21 C ATOM 1401 C ALA A 92 4.715 -6.942 5.642 1.00 61.44 C ATOM 1402 O ALA A 92 3.813 -7.725 5.345 1.00 60.05 O ATOM 1403 CB ALA A 92 6.724 -6.284 4.247 1.00 21.44 C ATOM 0 H ALA A 92 5.998 -4.040 4.995 1.00 75.14 H new ATOM 0 HA ALA A 92 4.679 -6.068 3.687 1.00 13.21 H new ATOM 0 HB1 ALA A 92 6.793 -7.311 3.889 1.00 21.44 H new ATOM 0 HB2 ALA A 92 7.069 -5.604 3.468 1.00 21.44 H new ATOM 0 HB3 ALA A 92 7.347 -6.166 5.134 1.00 21.44 H new ATOM 1409 N THR A 93 5.218 -6.855 6.877 1.00 31.21 N ATOM 1410 CA THR A 93 4.830 -7.765 7.950 1.00 40.21 C ATOM 1411 C THR A 93 3.383 -7.503 8.384 1.00 60.33 C ATOM 1412 O THR A 93 2.588 -8.420 8.610 1.00 60.34 O ATOM 1413 CB THR A 93 5.805 -7.623 9.137 1.00 72.04 C ATOM 1414 OG1 THR A 93 5.743 -6.369 9.779 1.00 0.15 O ATOM 1415 CG2 THR A 93 7.268 -7.769 8.744 1.00 33.01 C ATOM 0 H THR A 93 5.903 -6.153 7.157 1.00 31.21 H new ATOM 0 HA THR A 93 4.883 -8.790 7.583 1.00 40.21 H new ATOM 0 HB THR A 93 5.477 -8.428 9.794 1.00 72.04 H new ATOM 0 HG1 THR A 93 5.620 -5.664 9.109 1.00 0.15 H new ATOM 0 HG21 THR A 93 7.895 -7.658 9.628 1.00 33.01 H new ATOM 0 HG22 THR A 93 7.430 -8.754 8.306 1.00 33.01 H new ATOM 0 HG23 THR A 93 7.528 -7.000 8.016 1.00 33.01 H new ATOM 1423 N ARG A 94 3.037 -6.221 8.507 1.00 15.54 N ATOM 1424 CA ARG A 94 1.840 -5.745 9.186 1.00 32.31 C ATOM 1425 C ARG A 94 0.605 -5.934 8.327 1.00 33.33 C ATOM 1426 O ARG A 94 -0.495 -5.902 8.874 1.00 53.25 O ATOM 1427 CB ARG A 94 2.041 -4.267 9.536 1.00 64.03 C ATOM 1428 CG ARG A 94 3.240 -3.988 10.437 1.00 0.35 C ATOM 1429 CD ARG A 94 2.922 -4.008 11.919 1.00 73.23 C ATOM 1430 NE ARG A 94 2.677 -5.364 12.441 1.00 32.32 N ATOM 1431 CZ ARG A 94 3.624 -6.284 12.691 1.00 55.45 C ATOM 1432 NH1 ARG A 94 4.910 -5.959 12.761 1.00 55.33 N ATOM 1433 NH2 ARG A 94 3.296 -7.558 12.849 1.00 33.41 N ATOM 0 H ARG A 94 3.603 -5.464 8.123 1.00 15.54 H new ATOM 0 HA ARG A 94 1.683 -6.325 10.095 1.00 32.31 H new ATOM 0 HB2 ARG A 94 2.157 -3.700 8.612 1.00 64.03 H new ATOM 0 HB3 ARG A 94 1.140 -3.897 10.026 1.00 64.03 H new ATOM 0 HG2 ARG A 94 4.014 -4.728 10.233 1.00 0.35 H new ATOM 0 HG3 ARG A 94 3.655 -3.014 10.179 1.00 0.35 H new ATOM 0 HD2 ARG A 94 3.749 -3.558 12.468 1.00 73.23 H new ATOM 0 HD3 ARG A 94 2.043 -3.390 12.104 1.00 73.23 H new ATOM 0 HE ARG A 94 1.709 -5.626 12.628 1.00 32.32 H new ATOM 0 HH11 ARG A 94 5.200 -4.991 12.624 1.00 55.33 H new ATOM 0 HH12 ARG A 94 5.608 -6.678 12.952 1.00 55.33 H new ATOM 0 HH21 ARG A 94 2.320 -7.845 12.781 1.00 33.41 H new ATOM 0 HH22 ARG A 94 4.020 -8.251 13.039 1.00 33.41 H new ATOM 1447 N LYS A 95 0.760 -6.119 7.009 1.00 23.21 N ATOM 1448 CA LYS A 95 -0.340 -6.040 6.062 1.00 11.30 C ATOM 1449 C LYS A 95 -1.528 -6.887 6.511 1.00 13.53 C ATOM 1450 O LYS A 95 -2.661 -6.442 6.394 1.00 31.30 O ATOM 1451 CB LYS A 95 0.109 -6.458 4.654 1.00 15.40 C ATOM 1452 CG LYS A 95 -1.071 -6.375 3.669 1.00 31.02 C ATOM 1453 CD LYS A 95 -0.688 -6.709 2.227 1.00 64.42 C ATOM 1454 CE LYS A 95 -0.916 -8.174 1.856 1.00 11.31 C ATOM 1455 NZ LYS A 95 -2.343 -8.549 1.844 1.00 33.22 N ATOM 0 H LYS A 95 1.660 -6.328 6.576 1.00 23.21 H new ATOM 0 HA LYS A 95 -0.660 -4.999 6.028 1.00 11.30 H new ATOM 0 HB2 LYS A 95 0.919 -5.811 4.317 1.00 15.40 H new ATOM 0 HB3 LYS A 95 0.501 -7.475 4.677 1.00 15.40 H new ATOM 0 HG2 LYS A 95 -1.855 -7.058 3.996 1.00 31.02 H new ATOM 0 HG3 LYS A 95 -1.491 -5.370 3.701 1.00 31.02 H new ATOM 0 HD2 LYS A 95 -1.265 -6.078 1.551 1.00 64.42 H new ATOM 0 HD3 LYS A 95 0.363 -6.463 2.073 1.00 64.42 H new ATOM 0 HE2 LYS A 95 -0.487 -8.365 0.872 1.00 11.31 H new ATOM 0 HE3 LYS A 95 -0.385 -8.810 2.564 1.00 11.31 H new ATOM 0 HZ1 LYS A 95 -2.466 -9.431 1.306 1.00 33.22 H new ATOM 0 HZ2 LYS A 95 -2.673 -8.690 2.820 1.00 33.22 H new ATOM 0 HZ3 LYS A 95 -2.897 -7.791 1.397 1.00 33.22 H new ATOM 1469 N ASP A 96 -1.276 -8.099 6.985 1.00 34.32 N ATOM 1470 CA ASP A 96 -2.242 -9.063 7.500 1.00 73.45 C ATOM 1471 C ASP A 96 -3.258 -8.420 8.444 1.00 63.15 C ATOM 1472 O ASP A 96 -4.461 -8.643 8.298 1.00 40.32 O ATOM 1473 CB ASP A 96 -1.484 -10.202 8.197 1.00 42.52 C ATOM 1474 CG ASP A 96 -0.673 -11.116 7.275 1.00 31.30 C ATOM 1475 OD1 ASP A 96 -0.452 -10.769 6.090 1.00 12.33 O ATOM 1476 OD2 ASP A 96 -0.194 -12.151 7.800 1.00 41.53 O ATOM 0 H ASP A 96 -0.323 -8.462 7.023 1.00 34.32 H new ATOM 0 HA ASP A 96 -2.815 -9.459 6.662 1.00 73.45 H new ATOM 0 HB2 ASP A 96 -0.809 -9.768 8.934 1.00 42.52 H new ATOM 0 HB3 ASP A 96 -2.203 -10.812 8.744 1.00 42.52 H new ATOM 1481 N GLN A 97 -2.799 -7.591 9.378 1.00 2.12 N ATOM 1482 CA GLN A 97 -3.658 -6.851 10.285 1.00 74.05 C ATOM 1483 C GLN A 97 -4.312 -5.682 9.549 1.00 22.20 C ATOM 1484 O GLN A 97 -5.536 -5.561 9.530 1.00 71.02 O ATOM 1485 CB GLN A 97 -2.797 -6.374 11.474 1.00 53.54 C ATOM 1486 CG GLN A 97 -3.609 -5.844 12.658 1.00 75.32 C ATOM 1487 CD GLN A 97 -4.447 -6.951 13.286 1.00 53.34 C ATOM 1488 OE1 GLN A 97 -3.960 -7.750 14.080 1.00 43.41 O ATOM 1489 NE2 GLN A 97 -5.699 -7.070 12.886 1.00 54.45 N ATOM 0 H GLN A 97 -1.805 -7.415 9.524 1.00 2.12 H new ATOM 0 HA GLN A 97 -4.464 -7.481 10.660 1.00 74.05 H new ATOM 0 HB2 GLN A 97 -2.176 -7.202 11.815 1.00 53.54 H new ATOM 0 HB3 GLN A 97 -2.122 -5.590 11.129 1.00 53.54 H new ATOM 0 HG2 GLN A 97 -2.936 -5.424 13.406 1.00 75.32 H new ATOM 0 HG3 GLN A 97 -4.260 -5.036 12.324 1.00 75.32 H new ATOM 0 HE21 GLN A 97 -6.089 -6.398 12.226 1.00 54.45 H new ATOM 0 HE22 GLN A 97 -6.276 -7.834 13.237 1.00 54.45 H new ATOM 1498 N LEU A 98 -3.481 -4.828 8.947 1.00 73.42 N ATOM 1499 CA LEU A 98 -3.861 -3.521 8.411 1.00 74.24 C ATOM 1500 C LEU A 98 -4.924 -3.656 7.324 1.00 55.21 C ATOM 1501 O LEU A 98 -5.834 -2.837 7.227 1.00 74.32 O ATOM 1502 CB LEU A 98 -2.628 -2.807 7.824 1.00 35.00 C ATOM 1503 CG LEU A 98 -1.425 -2.683 8.783 1.00 15.30 C ATOM 1504 CD1 LEU A 98 -0.181 -2.178 8.049 1.00 34.33 C ATOM 1505 CD2 LEU A 98 -1.709 -1.811 10.000 1.00 60.44 C ATOM 0 H LEU A 98 -2.491 -5.036 8.815 1.00 73.42 H new ATOM 0 HA LEU A 98 -4.272 -2.935 9.233 1.00 74.24 H new ATOM 0 HB2 LEU A 98 -2.307 -3.344 6.931 1.00 35.00 H new ATOM 0 HB3 LEU A 98 -2.924 -1.807 7.506 1.00 35.00 H new ATOM 0 HG LEU A 98 -1.238 -3.691 9.154 1.00 15.30 H new ATOM 0 HD11 LEU A 98 0.649 -2.101 8.751 1.00 34.33 H new ATOM 0 HD12 LEU A 98 0.080 -2.875 7.253 1.00 34.33 H new ATOM 0 HD13 LEU A 98 -0.385 -1.197 7.619 1.00 34.33 H new ATOM 0 HD21 LEU A 98 -0.821 -1.767 10.631 1.00 60.44 H new ATOM 0 HD22 LEU A 98 -1.972 -0.805 9.673 1.00 60.44 H new ATOM 0 HD23 LEU A 98 -2.537 -2.236 10.567 1.00 60.44 H new ATOM 1517 N TRP A 99 -4.797 -4.681 6.484 1.00 52.42 N ATOM 1518 CA TRP A 99 -5.686 -4.935 5.369 1.00 23.01 C ATOM 1519 C TRP A 99 -7.071 -5.320 5.859 1.00 64.43 C ATOM 1520 O TRP A 99 -8.064 -4.767 5.392 1.00 31.02 O ATOM 1521 CB TRP A 99 -5.112 -6.040 4.475 1.00 21.24 C ATOM 1522 CG TRP A 99 -5.935 -6.281 3.250 1.00 24.33 C ATOM 1523 CD1 TRP A 99 -6.556 -7.431 2.909 1.00 74.43 C ATOM 1524 CD2 TRP A 99 -6.294 -5.316 2.220 1.00 24.40 C ATOM 1525 NE1 TRP A 99 -7.237 -7.251 1.720 1.00 31.31 N ATOM 1526 CE2 TRP A 99 -7.113 -5.961 1.252 1.00 54.33 C ATOM 1527 CE3 TRP A 99 -6.013 -3.950 2.017 1.00 33.12 C ATOM 1528 CZ2 TRP A 99 -7.589 -5.291 0.114 1.00 33.12 C ATOM 1529 CZ3 TRP A 99 -6.503 -3.264 0.897 1.00 64.45 C ATOM 1530 CH2 TRP A 99 -7.272 -3.936 -0.071 1.00 11.10 C ATOM 0 H TRP A 99 -4.051 -5.372 6.568 1.00 52.42 H new ATOM 0 HA TRP A 99 -5.773 -4.019 4.785 1.00 23.01 H new ATOM 0 HB2 TRP A 99 -4.098 -5.771 4.179 1.00 21.24 H new ATOM 0 HB3 TRP A 99 -5.042 -6.965 5.048 1.00 21.24 H new ATOM 0 HD1 TRP A 99 -6.525 -8.349 3.477 1.00 74.43 H new ATOM 0 HE1 TRP A 99 -7.766 -7.983 1.247 1.00 31.31 H new ATOM 0 HE3 TRP A 99 -5.408 -3.421 2.739 1.00 33.12 H new ATOM 0 HZ2 TRP A 99 -8.194 -5.813 -0.613 1.00 33.12 H new ATOM 0 HZ3 TRP A 99 -6.289 -2.212 0.776 1.00 64.45 H new ATOM 0 HH2 TRP A 99 -7.616 -3.413 -0.951 1.00 11.10 H new ATOM 1541 N ALA A 100 -7.135 -6.262 6.799 1.00 71.13 N ATOM 1542 CA ALA A 100 -8.396 -6.754 7.319 1.00 34.33 C ATOM 1543 C ALA A 100 -9.166 -5.667 8.076 1.00 11.30 C ATOM 1544 O ALA A 100 -10.400 -5.717 8.122 1.00 0.11 O ATOM 1545 CB ALA A 100 -8.081 -7.937 8.218 1.00 72.31 C ATOM 0 H ALA A 100 -6.314 -6.700 7.216 1.00 71.13 H new ATOM 0 HA ALA A 100 -9.045 -7.059 6.498 1.00 34.33 H new ATOM 0 HB1 ALA A 100 -9.007 -8.337 8.631 1.00 72.31 H new ATOM 0 HB2 ALA A 100 -7.578 -8.711 7.638 1.00 72.31 H new ATOM 0 HB3 ALA A 100 -7.432 -7.613 9.031 1.00 72.31 H new ATOM 1551 N ASP A 101 -8.452 -4.690 8.637 1.00 43.53 N ATOM 1552 CA ASP A 101 -9.014 -3.453 9.171 1.00 1.41 C ATOM 1553 C ASP A 101 -9.532 -2.593 8.017 1.00 43.31 C ATOM 1554 O ASP A 101 -10.706 -2.240 7.995 1.00 32.33 O ATOM 1555 CB ASP A 101 -7.963 -2.699 10.011 1.00 12.23 C ATOM 1556 CG ASP A 101 -8.374 -2.482 11.473 1.00 64.04 C ATOM 1557 OD1 ASP A 101 -9.141 -3.305 12.037 1.00 73.44 O ATOM 1558 OD2 ASP A 101 -7.812 -1.553 12.086 1.00 62.33 O ATOM 0 H ASP A 101 -7.438 -4.741 8.734 1.00 43.53 H new ATOM 0 HA ASP A 101 -9.849 -3.687 9.831 1.00 1.41 H new ATOM 0 HB2 ASP A 101 -7.026 -3.255 9.986 1.00 12.23 H new ATOM 0 HB3 ASP A 101 -7.771 -1.730 9.550 1.00 12.23 H new ATOM 1563 N TYR A 102 -8.704 -2.306 7.003 1.00 21.44 N ATOM 1564 CA TYR A 102 -9.091 -1.466 5.868 1.00 20.01 C ATOM 1565 C TYR A 102 -10.294 -1.978 5.075 1.00 72.23 C ATOM 1566 O TYR A 102 -10.985 -1.189 4.419 1.00 15.50 O ATOM 1567 CB TYR A 102 -7.905 -1.275 4.905 1.00 4.54 C ATOM 1568 CG TYR A 102 -7.269 0.085 5.044 1.00 15.23 C ATOM 1569 CD1 TYR A 102 -8.087 1.227 4.957 1.00 24.24 C ATOM 1570 CD2 TYR A 102 -5.905 0.209 5.360 1.00 41.55 C ATOM 1571 CE1 TYR A 102 -7.568 2.480 5.293 1.00 1.43 C ATOM 1572 CE2 TYR A 102 -5.372 1.474 5.658 1.00 31.22 C ATOM 1573 CZ TYR A 102 -6.222 2.602 5.689 1.00 45.34 C ATOM 1574 OH TYR A 102 -5.763 3.798 6.144 1.00 44.11 O ATOM 0 H TYR A 102 -7.746 -2.652 6.949 1.00 21.44 H new ATOM 0 HA TYR A 102 -9.391 -0.518 6.314 1.00 20.01 H new ATOM 0 HB2 TYR A 102 -7.157 -2.045 5.096 1.00 4.54 H new ATOM 0 HB3 TYR A 102 -8.247 -1.411 3.879 1.00 4.54 H new ATOM 0 HD1 TYR A 102 -9.113 1.135 4.632 1.00 24.24 H new ATOM 0 HD2 TYR A 102 -5.270 -0.664 5.374 1.00 41.55 H new ATOM 0 HE1 TYR A 102 -8.199 3.355 5.249 1.00 1.43 H new ATOM 0 HE2 TYR A 102 -4.317 1.584 5.862 1.00 31.22 H new ATOM 0 HH TYR A 102 -4.815 3.717 6.378 1.00 44.11 H new ATOM 1584 N LEU A 103 -10.526 -3.290 5.068 1.00 42.44 N ATOM 1585 CA LEU A 103 -11.728 -3.876 4.500 1.00 75.34 C ATOM 1586 C LEU A 103 -12.933 -3.499 5.348 1.00 53.53 C ATOM 1587 O LEU A 103 -13.949 -3.082 4.795 1.00 31.42 O ATOM 1588 CB LEU A 103 -11.607 -5.402 4.429 1.00 21.10 C ATOM 1589 CG LEU A 103 -10.598 -5.882 3.363 1.00 24.21 C ATOM 1590 CD1 LEU A 103 -10.364 -7.377 3.538 1.00 43.13 C ATOM 1591 CD2 LEU A 103 -11.042 -5.629 1.917 1.00 75.21 C ATOM 0 H LEU A 103 -9.879 -3.975 5.459 1.00 42.44 H new ATOM 0 HA LEU A 103 -11.856 -3.490 3.489 1.00 75.34 H new ATOM 0 HB2 LEU A 103 -11.304 -5.782 5.405 1.00 21.10 H new ATOM 0 HB3 LEU A 103 -12.586 -5.828 4.211 1.00 21.10 H new ATOM 0 HG LEU A 103 -9.690 -5.300 3.521 1.00 24.21 H new ATOM 0 HD11 LEU A 103 -9.652 -7.724 2.789 1.00 43.13 H new ATOM 0 HD12 LEU A 103 -9.965 -7.569 4.534 1.00 43.13 H new ATOM 0 HD13 LEU A 103 -11.307 -7.910 3.417 1.00 43.13 H new ATOM 0 HD21 LEU A 103 -10.277 -5.995 1.232 1.00 75.21 H new ATOM 0 HD22 LEU A 103 -11.979 -6.152 1.727 1.00 75.21 H new ATOM 0 HD23 LEU A 103 -11.185 -4.560 1.762 1.00 75.21 H new ATOM 1603 N ALA A 104 -12.833 -3.644 6.672 1.00 4.23 N ATOM 1604 CA ALA A 104 -13.905 -3.300 7.592 1.00 61.32 C ATOM 1605 C ALA A 104 -14.190 -1.802 7.586 1.00 2.40 C ATOM 1606 O ALA A 104 -15.358 -1.440 7.658 1.00 64.44 O ATOM 1607 CB ALA A 104 -13.578 -3.776 9.005 1.00 44.25 C ATOM 0 H ALA A 104 -11.998 -4.006 7.132 1.00 4.23 H new ATOM 0 HA ALA A 104 -14.806 -3.811 7.252 1.00 61.32 H new ATOM 0 HB1 ALA A 104 -14.393 -3.508 9.677 1.00 44.25 H new ATOM 0 HB2 ALA A 104 -13.449 -4.858 9.004 1.00 44.25 H new ATOM 0 HB3 ALA A 104 -12.657 -3.302 9.345 1.00 44.25 H new ATOM 1613 N GLU A 105 -13.188 -0.926 7.465 1.00 11.51 N ATOM 1614 CA GLU A 105 -13.443 0.506 7.320 1.00 63.15 C ATOM 1615 C GLU A 105 -14.221 0.772 6.036 1.00 40.43 C ATOM 1616 O GLU A 105 -15.217 1.486 6.068 1.00 75.45 O ATOM 1617 CB GLU A 105 -12.143 1.330 7.323 1.00 21.33 C ATOM 1618 CG GLU A 105 -11.658 1.738 8.723 1.00 43.13 C ATOM 1619 CD GLU A 105 -11.707 3.258 8.953 1.00 72.24 C ATOM 1620 OE1 GLU A 105 -10.820 3.959 8.412 1.00 55.12 O ATOM 1621 OE2 GLU A 105 -12.630 3.738 9.657 1.00 32.14 O ATOM 0 H GLU A 105 -12.201 -1.183 7.465 1.00 11.51 H new ATOM 0 HA GLU A 105 -14.034 0.819 8.181 1.00 63.15 H new ATOM 0 HB2 GLU A 105 -11.359 0.752 6.833 1.00 21.33 H new ATOM 0 HB3 GLU A 105 -12.295 2.230 6.727 1.00 21.33 H new ATOM 0 HG2 GLU A 105 -12.273 1.242 9.474 1.00 43.13 H new ATOM 0 HG3 GLU A 105 -10.636 1.387 8.865 1.00 43.13 H new ATOM 1628 N LEU A 106 -13.804 0.188 4.906 1.00 1.31 N ATOM 1629 CA LEU A 106 -14.481 0.361 3.631 1.00 33.32 C ATOM 1630 C LEU A 106 -15.937 -0.108 3.753 1.00 3.32 C ATOM 1631 O LEU A 106 -16.868 0.626 3.411 1.00 64.43 O ATOM 1632 CB LEU A 106 -13.601 -0.328 2.557 1.00 41.43 C ATOM 1633 CG LEU A 106 -14.111 -0.296 1.101 1.00 23.14 C ATOM 1634 CD1 LEU A 106 -15.068 -1.469 0.899 1.00 45.44 C ATOM 1635 CD2 LEU A 106 -14.674 1.080 0.800 1.00 51.15 C ATOM 0 H LEU A 106 -12.985 -0.418 4.858 1.00 1.31 H new ATOM 0 HA LEU A 106 -14.582 1.400 3.316 1.00 33.32 H new ATOM 0 HB2 LEU A 106 -12.615 0.136 2.580 1.00 41.43 H new ATOM 0 HB3 LEU A 106 -13.470 -1.371 2.846 1.00 41.43 H new ATOM 0 HG LEU A 106 -13.315 -0.437 0.370 1.00 23.14 H new ATOM 0 HD11 LEU A 106 -15.440 -1.463 -0.126 1.00 45.44 H new ATOM 0 HD12 LEU A 106 -14.542 -2.405 1.089 1.00 45.44 H new ATOM 0 HD13 LEU A 106 -15.906 -1.378 1.589 1.00 45.44 H new ATOM 0 HD21 LEU A 106 -15.036 1.108 -0.228 1.00 51.15 H new ATOM 0 HD22 LEU A 106 -15.498 1.293 1.481 1.00 51.15 H new ATOM 0 HD23 LEU A 106 -13.893 1.829 0.930 1.00 51.15 H new ATOM 1647 N ALA A 107 -16.122 -1.285 4.340 1.00 33.41 N ATOM 1648 CA ALA A 107 -17.417 -1.925 4.506 1.00 42.15 C ATOM 1649 C ALA A 107 -18.339 -1.105 5.428 1.00 22.33 C ATOM 1650 O ALA A 107 -19.503 -0.878 5.097 1.00 53.11 O ATOM 1651 CB ALA A 107 -17.185 -3.344 5.036 1.00 33.43 C ATOM 0 H ALA A 107 -15.352 -1.834 4.723 1.00 33.41 H new ATOM 0 HA ALA A 107 -17.930 -1.979 3.546 1.00 42.15 H new ATOM 0 HB1 ALA A 107 -18.144 -3.844 5.169 1.00 33.43 H new ATOM 0 HB2 ALA A 107 -16.579 -3.904 4.324 1.00 33.43 H new ATOM 0 HB3 ALA A 107 -16.666 -3.295 5.993 1.00 33.43 H new ATOM 1657 N SER A 108 -17.824 -0.644 6.570 1.00 4.51 N ATOM 1658 CA SER A 108 -18.552 0.062 7.620 1.00 1.24 C ATOM 1659 C SER A 108 -18.788 1.532 7.278 1.00 64.05 C ATOM 1660 O SER A 108 -19.768 2.104 7.753 1.00 20.43 O ATOM 1661 CB SER A 108 -17.746 -0.034 8.921 1.00 32.42 C ATOM 1662 OG SER A 108 -18.422 0.535 10.029 1.00 4.30 O ATOM 0 H SER A 108 -16.836 -0.761 6.796 1.00 4.51 H new ATOM 0 HA SER A 108 -19.531 -0.406 7.727 1.00 1.24 H new ATOM 0 HB2 SER A 108 -17.529 -1.081 9.132 1.00 32.42 H new ATOM 0 HB3 SER A 108 -16.788 0.469 8.788 1.00 32.42 H new ATOM 0 HG SER A 108 -17.867 0.446 10.832 1.00 4.30 H new ATOM 1668 N ALA A 109 -17.913 2.160 6.485 1.00 51.25 N ATOM 1669 CA ALA A 109 -18.194 3.467 5.913 1.00 2.52 C ATOM 1670 C ALA A 109 -19.395 3.346 4.980 1.00 33.12 C ATOM 1671 O ALA A 109 -20.235 4.241 4.940 1.00 34.00 O ATOM 1672 CB ALA A 109 -16.970 3.997 5.156 1.00 31.43 C ATOM 0 H ALA A 109 -17.003 1.777 6.228 1.00 51.25 H new ATOM 0 HA ALA A 109 -18.422 4.175 6.710 1.00 2.52 H new ATOM 0 HB1 ALA A 109 -17.199 4.976 4.735 1.00 31.43 H new ATOM 0 HB2 ALA A 109 -16.128 4.085 5.842 1.00 31.43 H new ATOM 0 HB3 ALA A 109 -16.713 3.307 4.352 1.00 31.43 H new ATOM 1678 N GLY A 110 -19.481 2.244 4.232 1.00 45.51 N ATOM 1679 CA GLY A 110 -20.498 2.072 3.215 1.00 24.20 C ATOM 1680 C GLY A 110 -20.026 2.697 1.918 1.00 73.13 C ATOM 1681 O GLY A 110 -20.756 3.491 1.322 1.00 10.31 O ATOM 0 H GLY A 110 -18.845 1.452 4.321 1.00 45.51 H new ATOM 0 HA2 GLY A 110 -20.703 1.012 3.067 1.00 24.20 H new ATOM 0 HA3 GLY A 110 -21.431 2.536 3.536 1.00 24.20 H new ATOM 1685 N LYS A 111 -18.789 2.415 1.511 1.00 23.10 N ATOM 1686 CA LYS A 111 -18.299 2.644 0.160 1.00 61.11 C ATOM 1687 C LYS A 111 -17.783 1.297 -0.346 1.00 51.11 C ATOM 1688 O LYS A 111 -17.841 0.301 0.377 1.00 12.22 O ATOM 1689 CB LYS A 111 -17.218 3.720 0.152 1.00 1.12 C ATOM 1690 CG LYS A 111 -17.663 5.056 0.752 1.00 5.31 C ATOM 1691 CD LYS A 111 -18.692 5.800 -0.114 1.00 70.24 C ATOM 1692 CE LYS A 111 -18.704 7.240 0.381 1.00 33.12 C ATOM 1693 NZ LYS A 111 -19.716 8.106 -0.256 1.00 41.34 N ATOM 0 H LYS A 111 -18.086 2.011 2.130 1.00 23.10 H new ATOM 0 HA LYS A 111 -19.086 3.014 -0.497 1.00 61.11 H new ATOM 0 HB2 LYS A 111 -16.353 3.355 0.706 1.00 1.12 H new ATOM 0 HB3 LYS A 111 -16.892 3.885 -0.875 1.00 1.12 H new ATOM 0 HG2 LYS A 111 -18.090 4.879 1.739 1.00 5.31 H new ATOM 0 HG3 LYS A 111 -16.789 5.692 0.892 1.00 5.31 H new ATOM 0 HD2 LYS A 111 -18.419 5.753 -1.168 1.00 70.24 H new ATOM 0 HD3 LYS A 111 -19.679 5.348 -0.020 1.00 70.24 H new ATOM 0 HE2 LYS A 111 -18.874 7.238 1.458 1.00 33.12 H new ATOM 0 HE3 LYS A 111 -17.718 7.675 0.215 1.00 33.12 H new ATOM 0 HZ1 LYS A 111 -19.652 9.065 0.141 1.00 41.34 H new ATOM 0 HZ2 LYS A 111 -19.545 8.143 -1.281 1.00 41.34 H new ATOM 0 HZ3 LYS A 111 -20.665 7.720 -0.077 1.00 41.34 H new ATOM 1707 N SER A 112 -17.179 1.268 -1.527 1.00 51.32 N ATOM 1708 CA SER A 112 -16.668 0.049 -2.121 1.00 5.30 C ATOM 1709 C SER A 112 -15.273 0.244 -2.693 1.00 50.22 C ATOM 1710 O SER A 112 -14.729 1.348 -2.790 1.00 52.53 O ATOM 1711 CB SER A 112 -17.691 -0.443 -3.130 1.00 45.43 C ATOM 1712 OG SER A 112 -18.673 -1.167 -2.415 1.00 12.41 O ATOM 0 H SER A 112 -17.031 2.098 -2.100 1.00 51.32 H new ATOM 0 HA SER A 112 -16.538 -0.725 -1.365 1.00 5.30 H new ATOM 0 HB2 SER A 112 -18.142 0.396 -3.660 1.00 45.43 H new ATOM 0 HB3 SER A 112 -17.217 -1.076 -3.880 1.00 45.43 H new ATOM 0 HG SER A 112 -19.430 -1.363 -3.006 1.00 12.41 H new ATOM 1718 N ARG A 113 -14.616 -0.874 -2.995 1.00 72.01 N ATOM 1719 CA ARG A 113 -13.372 -0.828 -3.743 1.00 4.32 C ATOM 1720 C ARG A 113 -13.640 -0.445 -5.189 1.00 23.00 C ATOM 1721 O ARG A 113 -12.747 0.139 -5.792 1.00 33.33 O ATOM 1722 CB ARG A 113 -12.643 -2.171 -3.706 1.00 50.13 C ATOM 1723 CG ARG A 113 -12.373 -2.663 -2.269 1.00 73.12 C ATOM 1724 CD ARG A 113 -11.448 -3.883 -2.240 1.00 45.32 C ATOM 1725 NE ARG A 113 -10.174 -3.547 -2.884 1.00 13.11 N ATOM 1726 CZ ARG A 113 -9.391 -4.386 -3.571 1.00 62.03 C ATOM 1727 NH1 ARG A 113 -9.478 -5.701 -3.418 1.00 41.14 N ATOM 1728 NH2 ARG A 113 -8.526 -3.889 -4.437 1.00 24.21 N ATOM 0 H ARG A 113 -14.924 -1.811 -2.734 1.00 72.01 H new ATOM 0 HA ARG A 113 -12.738 -0.077 -3.273 1.00 4.32 H new ATOM 0 HB2 ARG A 113 -13.236 -2.916 -4.235 1.00 50.13 H new ATOM 0 HB3 ARG A 113 -11.696 -2.081 -4.239 1.00 50.13 H new ATOM 0 HG2 ARG A 113 -11.926 -1.856 -1.688 1.00 73.12 H new ATOM 0 HG3 ARG A 113 -13.319 -2.915 -1.789 1.00 73.12 H new ATOM 0 HD2 ARG A 113 -11.275 -4.197 -1.211 1.00 45.32 H new ATOM 0 HD3 ARG A 113 -11.918 -4.721 -2.755 1.00 45.32 H new ATOM 0 HE ARG A 113 -9.855 -2.582 -2.800 1.00 13.11 H new ATOM 0 HH11 ARG A 113 -10.154 -6.095 -2.764 1.00 41.14 H new ATOM 0 HH12 ARG A 113 -8.869 -6.318 -3.955 1.00 41.14 H new ATOM 0 HH21 ARG A 113 -8.463 -2.880 -4.573 1.00 24.21 H new ATOM 0 HH22 ARG A 113 -7.921 -4.514 -4.969 1.00 24.21 H new ATOM 1742 N ASP A 114 -14.803 -0.756 -5.751 1.00 71.42 N ATOM 1743 CA ASP A 114 -15.143 -0.229 -7.072 1.00 63.03 C ATOM 1744 C ASP A 114 -15.309 1.287 -6.932 1.00 11.22 C ATOM 1745 O ASP A 114 -15.805 1.750 -5.896 1.00 3.10 O ATOM 1746 CB ASP A 114 -16.425 -0.867 -7.599 1.00 11.30 C ATOM 1747 CG ASP A 114 -16.172 -2.043 -8.528 1.00 31.10 C ATOM 1748 OD1 ASP A 114 -15.689 -1.825 -9.660 1.00 73.42 O ATOM 1749 OD2 ASP A 114 -16.461 -3.191 -8.114 1.00 13.22 O ATOM 0 H ASP A 114 -15.512 -1.355 -5.327 1.00 71.42 H new ATOM 0 HA ASP A 114 -14.354 -0.462 -7.787 1.00 63.03 H new ATOM 0 HB2 ASP A 114 -17.029 -1.202 -6.756 1.00 11.30 H new ATOM 0 HB3 ASP A 114 -17.007 -0.113 -8.129 1.00 11.30 H new ATOM 1754 N PRO A 115 -14.918 2.074 -7.946 1.00 70.35 N ATOM 1755 CA PRO A 115 -14.854 3.524 -7.831 1.00 14.12 C ATOM 1756 C PRO A 115 -16.234 4.150 -7.696 1.00 44.22 C ATOM 1757 O PRO A 115 -16.357 5.177 -7.025 1.00 31.31 O ATOM 1758 CB PRO A 115 -14.137 4.017 -9.089 1.00 42.35 C ATOM 1759 CG PRO A 115 -14.392 2.900 -10.099 1.00 63.42 C ATOM 1760 CD PRO A 115 -14.422 1.639 -9.242 1.00 44.13 C ATOM 0 HA PRO A 115 -14.318 3.815 -6.928 1.00 14.12 H new ATOM 0 HB2 PRO A 115 -14.538 4.970 -9.433 1.00 42.35 H new ATOM 0 HB3 PRO A 115 -13.071 4.165 -8.913 1.00 42.35 H new ATOM 0 HG2 PRO A 115 -15.333 3.046 -10.629 1.00 63.42 H new ATOM 0 HG3 PRO A 115 -13.606 2.854 -10.852 1.00 63.42 H new ATOM 0 HD2 PRO A 115 -15.072 0.881 -9.679 1.00 44.13 H new ATOM 0 HD3 PRO A 115 -13.429 1.197 -9.156 1.00 44.13 H new ATOM 1768 N ASP A 116 -17.248 3.531 -8.297 1.00 22.40 N ATOM 1769 CA ASP A 116 -18.643 3.936 -8.243 1.00 22.24 C ATOM 1770 C ASP A 116 -19.478 2.659 -8.260 1.00 2.30 C ATOM 1771 O ASP A 116 -20.151 2.338 -9.238 1.00 10.43 O ATOM 1772 CB ASP A 116 -18.956 4.885 -9.409 1.00 65.05 C ATOM 1773 CG ASP A 116 -20.265 5.652 -9.230 1.00 44.45 C ATOM 1774 OD1 ASP A 116 -20.770 5.765 -8.090 1.00 72.25 O ATOM 1775 OD2 ASP A 116 -20.708 6.294 -10.208 1.00 73.11 O ATOM 0 H ASP A 116 -17.108 2.693 -8.861 1.00 22.40 H new ATOM 0 HA ASP A 116 -18.877 4.494 -7.337 1.00 22.24 H new ATOM 0 HB2 ASP A 116 -18.138 5.597 -9.518 1.00 65.05 H new ATOM 0 HB3 ASP A 116 -19.004 4.310 -10.334 1.00 65.05 H new ATOM 1780 N GLU A 117 -19.324 1.835 -7.220 1.00 4.14 N ATOM 1781 CA GLU A 117 -20.076 0.599 -7.089 1.00 45.55 C ATOM 1782 C GLU A 117 -21.561 0.893 -6.893 1.00 32.11 C ATOM 1783 O GLU A 117 -21.921 1.788 -6.118 1.00 53.42 O ATOM 1784 CB GLU A 117 -19.566 -0.216 -5.896 1.00 33.24 C ATOM 1785 CG GLU A 117 -19.774 -1.707 -6.181 1.00 74.14 C ATOM 1786 CD GLU A 117 -19.425 -2.603 -4.992 1.00 63.04 C ATOM 1787 OE1 GLU A 117 -20.157 -2.555 -3.984 1.00 33.24 O ATOM 1788 OE2 GLU A 117 -18.391 -3.315 -5.020 1.00 4.24 O ATOM 0 H GLU A 117 -18.676 2.011 -6.452 1.00 4.14 H new ATOM 0 HA GLU A 117 -19.939 0.025 -8.005 1.00 45.55 H new ATOM 0 HB2 GLU A 117 -18.510 -0.010 -5.724 1.00 33.24 H new ATOM 0 HB3 GLU A 117 -20.098 0.071 -4.989 1.00 33.24 H new ATOM 0 HG2 GLU A 117 -20.814 -1.875 -6.461 1.00 74.14 H new ATOM 0 HG3 GLU A 117 -19.163 -1.995 -7.036 1.00 74.14 H new ATOM 1795 N SER A 118 -22.405 0.029 -7.454 1.00 11.41 N ATOM 1796 CA SER A 118 -23.836 -0.093 -7.219 1.00 13.33 C ATOM 1797 C SER A 118 -24.115 -0.755 -5.857 1.00 65.21 C ATOM 1798 O SER A 118 -24.996 -1.609 -5.727 1.00 11.32 O ATOM 1799 CB SER A 118 -24.414 -0.859 -8.414 1.00 24.40 C ATOM 1800 OG SER A 118 -25.809 -0.670 -8.560 1.00 3.53 O ATOM 0 H SER A 118 -22.077 -0.655 -8.136 1.00 11.41 H new ATOM 0 HA SER A 118 -24.324 0.879 -7.154 1.00 13.33 H new ATOM 0 HB2 SER A 118 -23.910 -0.536 -9.325 1.00 24.40 H new ATOM 0 HB3 SER A 118 -24.206 -1.922 -8.294 1.00 24.40 H new ATOM 0 HG SER A 118 -26.128 -1.177 -9.335 1.00 3.53 H new ATOM 1806 N VAL A 119 -23.325 -0.389 -4.846 1.00 42.33 N ATOM 1807 CA VAL A 119 -23.423 -0.680 -3.446 1.00 13.31 C ATOM 1808 C VAL A 119 -23.756 -2.160 -3.202 1.00 51.54 C ATOM 1809 O VAL A 119 -24.624 -2.489 -2.384 1.00 45.51 O ATOM 1810 CB VAL A 119 -24.382 0.358 -2.849 1.00 54.33 C ATOM 1811 CG1 VAL A 119 -23.860 1.798 -2.957 1.00 52.32 C ATOM 1812 CG2 VAL A 119 -25.854 0.307 -3.294 1.00 44.33 C ATOM 0 H VAL A 119 -22.506 0.189 -5.032 1.00 42.33 H new ATOM 0 HA VAL A 119 -22.474 -0.577 -2.920 1.00 13.31 H new ATOM 0 HB VAL A 119 -24.394 0.040 -1.806 1.00 54.33 H new ATOM 0 HG11 VAL A 119 -24.585 2.482 -2.516 1.00 52.32 H new ATOM 0 HG12 VAL A 119 -22.912 1.882 -2.425 1.00 52.32 H new ATOM 0 HG13 VAL A 119 -23.711 2.053 -4.006 1.00 52.32 H new ATOM 0 HG21 VAL A 119 -26.413 1.097 -2.793 1.00 44.33 H new ATOM 0 HG22 VAL A 119 -25.913 0.449 -4.373 1.00 44.33 H new ATOM 0 HG23 VAL A 119 -26.280 -0.661 -3.032 1.00 44.33 H new ATOM 1822 N VAL A 120 -23.133 -3.070 -3.954 1.00 11.14 N ATOM 1823 CA VAL A 120 -23.553 -4.459 -3.970 1.00 34.00 C ATOM 1824 C VAL A 120 -23.090 -5.127 -2.676 1.00 71.01 C ATOM 1825 O VAL A 120 -21.932 -5.529 -2.531 1.00 14.34 O ATOM 1826 CB VAL A 120 -23.202 -5.178 -5.287 1.00 21.13 C ATOM 1827 CG1 VAL A 120 -21.756 -5.024 -5.753 1.00 64.22 C ATOM 1828 CG2 VAL A 120 -23.571 -6.662 -5.205 1.00 63.25 C ATOM 0 H VAL A 120 -22.337 -2.863 -4.557 1.00 11.14 H new ATOM 0 HA VAL A 120 -24.641 -4.530 -3.974 1.00 34.00 H new ATOM 0 HB VAL A 120 -23.802 -4.674 -6.044 1.00 21.13 H new ATOM 0 HG11 VAL A 120 -21.615 -5.567 -6.687 1.00 64.22 H new ATOM 0 HG12 VAL A 120 -21.535 -3.968 -5.910 1.00 64.22 H new ATOM 0 HG13 VAL A 120 -21.084 -5.426 -4.994 1.00 64.22 H new ATOM 0 HG21 VAL A 120 -23.316 -7.153 -6.144 1.00 63.25 H new ATOM 0 HG22 VAL A 120 -23.019 -7.130 -4.390 1.00 63.25 H new ATOM 0 HG23 VAL A 120 -24.641 -6.761 -5.023 1.00 63.25 H new ATOM 1838 N LYS A 121 -24.062 -5.256 -1.770 1.00 24.13 N ATOM 1839 CA LYS A 121 -24.037 -5.937 -0.487 1.00 63.22 C ATOM 1840 C LYS A 121 -23.079 -5.300 0.510 1.00 41.23 C ATOM 1841 O LYS A 121 -22.291 -4.416 0.174 1.00 72.23 O ATOM 1842 CB LYS A 121 -23.852 -7.452 -0.698 1.00 23.03 C ATOM 1843 CG LYS A 121 -25.156 -8.018 -1.274 1.00 13.13 C ATOM 1844 CD LYS A 121 -25.136 -9.527 -1.506 1.00 42.15 C ATOM 1845 CE LYS A 121 -26.506 -9.867 -2.097 1.00 14.33 C ATOM 1846 NZ LYS A 121 -26.670 -11.294 -2.418 1.00 60.35 N ATOM 0 H LYS A 121 -24.978 -4.841 -1.941 1.00 24.13 H new ATOM 0 HA LYS A 121 -25.006 -5.810 -0.004 1.00 63.22 H new ATOM 0 HB2 LYS A 121 -23.022 -7.643 -1.378 1.00 23.03 H new ATOM 0 HB3 LYS A 121 -23.610 -7.941 0.246 1.00 23.03 H new ATOM 0 HG2 LYS A 121 -25.974 -7.777 -0.595 1.00 13.13 H new ATOM 0 HG3 LYS A 121 -25.369 -7.519 -2.220 1.00 13.13 H new ATOM 0 HD2 LYS A 121 -24.333 -9.809 -2.188 1.00 42.15 H new ATOM 0 HD3 LYS A 121 -24.966 -10.065 -0.574 1.00 42.15 H new ATOM 0 HE2 LYS A 121 -27.281 -9.570 -1.390 1.00 14.33 H new ATOM 0 HE3 LYS A 121 -26.658 -9.279 -3.002 1.00 14.33 H new ATOM 0 HZ1 LYS A 121 -27.618 -11.454 -2.814 1.00 60.35 H new ATOM 0 HZ2 LYS A 121 -25.952 -11.578 -3.115 1.00 60.35 H new ATOM 0 HZ3 LYS A 121 -26.556 -11.860 -1.553 1.00 60.35 H new ATOM 1860 N LEU A 122 -23.280 -5.646 1.782 1.00 64.34 N ATOM 1861 CA LEU A 122 -22.688 -4.943 2.922 1.00 14.41 C ATOM 1862 C LEU A 122 -22.701 -5.774 4.214 1.00 42.41 C ATOM 1863 O LEU A 122 -22.298 -5.296 5.283 1.00 12.53 O ATOM 1864 CB LEU A 122 -23.336 -3.548 3.105 1.00 34.22 C ATOM 1865 CG LEU A 122 -24.857 -3.396 3.354 1.00 4.34 C ATOM 1866 CD1 LEU A 122 -25.698 -3.607 2.089 1.00 72.03 C ATOM 1867 CD2 LEU A 122 -25.417 -4.281 4.474 1.00 33.20 C ATOM 0 H LEU A 122 -23.867 -6.434 2.054 1.00 64.34 H new ATOM 0 HA LEU A 122 -21.633 -4.790 2.693 1.00 14.41 H new ATOM 0 HB2 LEU A 122 -22.827 -3.068 3.941 1.00 34.22 H new ATOM 0 HB3 LEU A 122 -23.100 -2.968 2.213 1.00 34.22 H new ATOM 0 HG LEU A 122 -24.944 -2.359 3.679 1.00 4.34 H new ATOM 0 HD11 LEU A 122 -26.754 -3.487 2.330 1.00 72.03 H new ATOM 0 HD12 LEU A 122 -25.412 -2.873 1.335 1.00 72.03 H new ATOM 0 HD13 LEU A 122 -25.526 -4.611 1.701 1.00 72.03 H new ATOM 0 HD21 LEU A 122 -26.488 -4.106 4.575 1.00 33.20 H new ATOM 0 HD22 LEU A 122 -25.242 -5.329 4.231 1.00 33.20 H new ATOM 0 HD23 LEU A 122 -24.920 -4.038 5.413 1.00 33.20 H new ATOM 1879 N MET A 123 -23.170 -7.020 4.141 1.00 71.43 N ATOM 1880 CA MET A 123 -23.155 -7.997 5.219 1.00 13.30 C ATOM 1881 C MET A 123 -22.868 -9.362 4.598 1.00 53.45 C ATOM 1882 O MET A 123 -23.374 -9.664 3.509 1.00 2.40 O ATOM 1883 CB MET A 123 -24.463 -7.936 6.036 1.00 60.02 C ATOM 1884 CG MET A 123 -25.742 -8.225 5.243 1.00 14.53 C ATOM 1885 SD MET A 123 -27.294 -8.027 6.159 1.00 21.22 S ATOM 1886 CE MET A 123 -27.217 -9.490 7.224 1.00 42.24 C ATOM 0 H MET A 123 -23.589 -7.388 3.287 1.00 71.43 H new ATOM 0 HA MET A 123 -22.370 -7.782 5.944 1.00 13.30 H new ATOM 0 HB2 MET A 123 -24.394 -8.651 6.856 1.00 60.02 H new ATOM 0 HB3 MET A 123 -24.548 -6.945 6.483 1.00 60.02 H new ATOM 0 HG2 MET A 123 -25.767 -7.566 4.375 1.00 14.53 H new ATOM 0 HG3 MET A 123 -25.691 -9.247 4.866 1.00 14.53 H new ATOM 0 HE1 MET A 123 -28.119 -9.544 7.834 1.00 42.24 H new ATOM 0 HE2 MET A 123 -27.142 -10.386 6.607 1.00 42.24 H new ATOM 0 HE3 MET A 123 -26.344 -9.422 7.873 1.00 42.24 H new ATOM 1896 N LEU A 124 -22.044 -10.160 5.287 1.00 74.34 N ATOM 1897 CA LEU A 124 -21.099 -11.093 4.671 1.00 12.32 C ATOM 1898 C LEU A 124 -20.388 -10.314 3.575 1.00 42.22 C ATOM 1899 O LEU A 124 -19.579 -9.440 3.950 1.00 32.23 O ATOM 1900 CB LEU A 124 -21.732 -12.416 4.191 1.00 54.22 C ATOM 1901 CG LEU A 124 -22.040 -13.447 5.285 1.00 51.41 C ATOM 1902 CD1 LEU A 124 -23.224 -13.020 6.159 1.00 15.12 C ATOM 1903 CD2 LEU A 124 -22.372 -14.784 4.625 1.00 34.30 C ATOM 0 H LEU A 124 -22.016 -10.174 6.307 1.00 74.34 H new ATOM 0 HA LEU A 124 -20.384 -11.448 5.413 1.00 12.32 H new ATOM 0 HB2 LEU A 124 -22.659 -12.184 3.666 1.00 54.22 H new ATOM 0 HB3 LEU A 124 -21.061 -12.875 3.465 1.00 54.22 H new ATOM 0 HG LEU A 124 -21.161 -13.531 5.925 1.00 51.41 H new ATOM 0 HD11 LEU A 124 -23.407 -13.779 6.920 1.00 15.12 H new ATOM 0 HD12 LEU A 124 -22.996 -12.070 6.642 1.00 15.12 H new ATOM 0 HD13 LEU A 124 -24.113 -12.907 5.538 1.00 15.12 H new ATOM 0 HD21 LEU A 124 -22.593 -15.524 5.394 1.00 34.30 H new ATOM 0 HD22 LEU A 124 -23.240 -14.664 3.977 1.00 34.30 H new ATOM 0 HD23 LEU A 124 -21.520 -15.119 4.033 1.00 34.30 H new TER 1915 LEU A 124