USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=31 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= 0.56 K(o=1.2,f=-1.9) USER MOD Set 1.2: A 87 TYR OH : rot -30:sc= 0.634 USER MOD Set 1.3: A 102 TYR OH : rot 120:sc= 0 USER MOD Set 2.1: A 71 LYS NZ :NH3+ -163:sc= -0.0536 (180deg=-0.391) USER MOD Set 2.2: A 80 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 26 TYR OH : rot 40:sc= 0.504 USER MOD Set 3.2: A 93 THR OG1 : rot 86:sc= 0.209 USER MOD Set 4.1: A 11 HIS : no HD1:sc= -1.06 X(o=0.18,f=0.34) USER MOD Set 4.2: A 18 THR OG1 : rot -99:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0976 (180deg=0) USER MOD Single : A 2 MET CE :methyl 155:sc= 0 (180deg=-0.63) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 12 LYS NZ :NH3+ 171:sc=-0.00217 (180deg=-0.0918) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0699 USER MOD Single : A 43 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.018) USER MOD Single : A 45 HIS : no HD1:sc= -0.053 X(o=-0.053,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.839 K(o=0.84,f=-0.047) USER MOD Single : A 51 GLN : amide:sc= -1.41 K(o=-1.4,f=-3) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 0.698 (180deg=0.335) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= -0.64 X(o=-0.64,f=-1) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -35:sc= 0.898 USER MOD Single : A 95 LYS NZ :NH3+ -174:sc= 1.17 (180deg=1.1) USER MOD Single : A 97 GLN : amide:sc= -0.0926 X(o=-0.093,f=-0.093) USER MOD Single : A 108 SER OG : rot 92:sc= 1.24 USER MOD Single : A 111 LYS NZ :NH3+ -135:sc= 2.4 (180deg=0.55) USER MOD Single : A 112 SER OG : rot 160:sc= -0.0161 USER MOD Single : A 118 SER OG : rot 22:sc= 1 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 155:sc= -0.0103 (180deg=-0.09) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.941 -3.781 11.348 1.00 13.30 N ATOM 2 CA GLY A 1 20.645 -2.346 11.289 1.00 2.04 C ATOM 3 C GLY A 1 19.980 -2.047 9.962 1.00 61.32 C ATOM 4 O GLY A 1 20.292 -2.720 8.979 1.00 42.21 O ATOM 0 H1 GLY A 1 21.918 -3.921 11.676 1.00 13.30 H new ATOM 0 H2 GLY A 1 20.284 -4.244 12.008 1.00 13.30 H new ATOM 0 H3 GLY A 1 20.831 -4.197 10.401 1.00 13.30 H new ATOM 0 HA2 GLY A 1 19.992 -2.060 12.113 1.00 2.04 H new ATOM 0 HA3 GLY A 1 21.562 -1.766 11.393 1.00 2.04 H new ATOM 8 N MET A 2 19.084 -1.052 9.926 1.00 44.33 N ATOM 9 CA MET A 2 18.252 -0.695 8.772 1.00 70.12 C ATOM 10 C MET A 2 17.442 -1.877 8.183 1.00 44.11 C ATOM 11 O MET A 2 17.435 -2.981 8.733 1.00 44.24 O ATOM 12 CB MET A 2 19.009 0.204 7.789 1.00 33.50 C ATOM 13 CG MET A 2 19.887 -0.564 6.830 1.00 74.52 C ATOM 14 SD MET A 2 21.659 -0.683 7.187 1.00 50.35 S ATOM 15 CE MET A 2 22.251 0.908 6.580 1.00 30.20 C ATOM 0 H MET A 2 18.913 -0.451 10.732 1.00 44.33 H new ATOM 0 HA MET A 2 17.439 -0.062 9.127 1.00 70.12 H new ATOM 0 HB2 MET A 2 18.290 0.794 7.220 1.00 33.50 H new ATOM 0 HB3 MET A 2 19.624 0.907 8.351 1.00 33.50 H new ATOM 0 HG2 MET A 2 19.494 -1.578 6.760 1.00 74.52 H new ATOM 0 HG3 MET A 2 19.777 -0.111 5.845 1.00 74.52 H new ATOM 0 HE1 MET A 2 23.171 1.176 7.100 1.00 30.20 H new ATOM 0 HE2 MET A 2 22.445 0.840 5.510 1.00 30.20 H new ATOM 0 HE3 MET A 2 21.495 1.672 6.763 1.00 30.20 H new ATOM 25 N ARG A 3 16.691 -1.629 7.101 1.00 32.30 N ATOM 26 CA ARG A 3 15.867 -2.594 6.370 1.00 50.05 C ATOM 27 C ARG A 3 16.026 -2.367 4.862 1.00 14.14 C ATOM 28 O ARG A 3 15.052 -2.078 4.175 1.00 1.12 O ATOM 29 CB ARG A 3 14.393 -2.438 6.811 1.00 51.02 C ATOM 30 CG ARG A 3 14.045 -3.084 8.148 1.00 21.34 C ATOM 31 CD ARG A 3 13.525 -4.512 7.939 1.00 41.41 C ATOM 32 NE ARG A 3 13.456 -5.248 9.203 1.00 5.12 N ATOM 33 CZ ARG A 3 14.437 -5.968 9.761 1.00 51.33 C ATOM 34 NH1 ARG A 3 15.607 -6.167 9.158 1.00 74.35 N ATOM 35 NH2 ARG A 3 14.249 -6.508 10.952 1.00 25.12 N ATOM 0 H ARG A 3 16.641 -0.696 6.692 1.00 32.30 H new ATOM 0 HA ARG A 3 16.188 -3.611 6.593 1.00 50.05 H new ATOM 0 HB2 ARG A 3 14.157 -1.375 6.867 1.00 51.02 H new ATOM 0 HB3 ARG A 3 13.752 -2.867 6.040 1.00 51.02 H new ATOM 0 HG2 ARG A 3 14.926 -3.102 8.789 1.00 21.34 H new ATOM 0 HG3 ARG A 3 13.290 -2.488 8.661 1.00 21.34 H new ATOM 0 HD2 ARG A 3 12.536 -4.477 7.483 1.00 41.41 H new ATOM 0 HD3 ARG A 3 14.178 -5.040 7.244 1.00 41.41 H new ATOM 0 HE ARG A 3 12.571 -5.208 9.709 1.00 5.12 H new ATOM 0 HH11 ARG A 3 15.781 -5.764 8.237 1.00 74.35 H new ATOM 0 HH12 ARG A 3 16.329 -6.722 9.617 1.00 74.35 H new ATOM 0 HH21 ARG A 3 13.362 -6.375 11.438 1.00 25.12 H new ATOM 0 HH22 ARG A 3 14.991 -7.058 11.385 1.00 25.12 H new ATOM 49 N ILE A 4 17.241 -2.417 4.321 1.00 50.25 N ATOM 50 CA ILE A 4 17.413 -2.193 2.881 1.00 12.00 C ATOM 51 C ILE A 4 17.100 -3.514 2.162 1.00 64.55 C ATOM 52 O ILE A 4 17.566 -4.567 2.610 1.00 33.24 O ATOM 53 CB ILE A 4 18.824 -1.682 2.552 1.00 14.42 C ATOM 54 CG1 ILE A 4 19.079 -0.319 3.227 1.00 50.32 C ATOM 55 CG2 ILE A 4 19.006 -1.506 1.029 1.00 43.34 C ATOM 56 CD1 ILE A 4 20.574 -0.080 3.437 1.00 54.23 C ATOM 0 H ILE A 4 18.101 -2.605 4.837 1.00 50.25 H new ATOM 0 HA ILE A 4 16.730 -1.416 2.539 1.00 12.00 H new ATOM 0 HB ILE A 4 19.531 -2.423 2.925 1.00 14.42 H new ATOM 0 HG12 ILE A 4 18.663 0.479 2.611 1.00 50.32 H new ATOM 0 HG13 ILE A 4 18.563 -0.283 4.187 1.00 50.32 H new ATOM 0 HG21 ILE A 4 20.013 -1.143 0.822 1.00 43.34 H new ATOM 0 HG22 ILE A 4 18.856 -2.464 0.532 1.00 43.34 H new ATOM 0 HG23 ILE A 4 18.278 -0.786 0.656 1.00 43.34 H new ATOM 0 HD11 ILE A 4 20.724 0.888 3.915 1.00 54.23 H new ATOM 0 HD12 ILE A 4 20.982 -0.865 4.073 1.00 54.23 H new ATOM 0 HD13 ILE A 4 21.083 -0.092 2.473 1.00 54.23 H new ATOM 68 N PRO A 5 16.321 -3.499 1.070 1.00 40.05 N ATOM 69 CA PRO A 5 16.040 -4.695 0.290 1.00 71.44 C ATOM 70 C PRO A 5 17.191 -5.102 -0.630 1.00 15.21 C ATOM 71 O PRO A 5 18.042 -4.291 -1.006 1.00 51.11 O ATOM 72 CB PRO A 5 14.795 -4.362 -0.541 1.00 41.33 C ATOM 73 CG PRO A 5 14.856 -2.844 -0.672 1.00 60.25 C ATOM 74 CD PRO A 5 15.505 -2.384 0.621 1.00 23.23 C ATOM 0 HA PRO A 5 15.893 -5.544 0.958 1.00 71.44 H new ATOM 0 HB2 PRO A 5 14.819 -4.851 -1.515 1.00 41.33 H new ATOM 0 HB3 PRO A 5 13.881 -4.686 -0.044 1.00 41.33 H new ATOM 0 HG2 PRO A 5 15.441 -2.543 -1.541 1.00 60.25 H new ATOM 0 HG3 PRO A 5 13.862 -2.414 -0.793 1.00 60.25 H new ATOM 0 HD2 PRO A 5 16.113 -1.494 0.459 1.00 23.23 H new ATOM 0 HD3 PRO A 5 14.753 -2.124 1.366 1.00 23.23 H new ATOM 82 N SER A 6 17.111 -6.351 -1.089 1.00 21.42 N ATOM 83 CA SER A 6 17.978 -6.938 -2.108 1.00 54.44 C ATOM 84 C SER A 6 17.198 -7.713 -3.178 1.00 53.33 C ATOM 85 O SER A 6 17.788 -8.176 -4.158 1.00 62.41 O ATOM 86 CB SER A 6 18.958 -7.885 -1.431 1.00 42.14 C ATOM 87 OG SER A 6 19.717 -7.222 -0.442 1.00 32.53 O ATOM 0 H SER A 6 16.410 -7.008 -0.746 1.00 21.42 H new ATOM 0 HA SER A 6 18.494 -6.120 -2.610 1.00 54.44 H new ATOM 0 HB2 SER A 6 18.412 -8.713 -0.978 1.00 42.14 H new ATOM 0 HB3 SER A 6 19.626 -8.314 -2.178 1.00 42.14 H new ATOM 0 HG SER A 6 20.336 -7.857 -0.024 1.00 32.53 H new ATOM 93 N ALA A 7 15.881 -7.859 -2.997 1.00 43.33 N ATOM 94 CA ALA A 7 14.976 -8.510 -3.930 1.00 23.54 C ATOM 95 C ALA A 7 13.848 -7.557 -4.271 1.00 33.43 C ATOM 96 O ALA A 7 12.711 -7.723 -3.828 1.00 60.11 O ATOM 97 CB ALA A 7 14.457 -9.831 -3.346 1.00 3.21 C ATOM 0 H ALA A 7 15.406 -7.512 -2.164 1.00 43.33 H new ATOM 0 HA ALA A 7 15.506 -8.759 -4.849 1.00 23.54 H new ATOM 0 HB1 ALA A 7 13.781 -10.303 -4.059 1.00 3.21 H new ATOM 0 HB2 ALA A 7 15.297 -10.496 -3.147 1.00 3.21 H new ATOM 0 HB3 ALA A 7 13.923 -9.633 -2.416 1.00 3.21 H new ATOM 103 N ILE A 8 14.183 -6.500 -4.994 1.00 64.23 N ATOM 104 CA ILE A 8 13.187 -5.592 -5.516 1.00 40.23 C ATOM 105 C ILE A 8 12.509 -6.286 -6.688 1.00 15.40 C ATOM 106 O ILE A 8 13.187 -6.742 -7.613 1.00 43.01 O ATOM 107 CB ILE A 8 13.892 -4.292 -5.952 1.00 51.11 C ATOM 108 CG1 ILE A 8 14.482 -3.490 -4.778 1.00 71.51 C ATOM 109 CG2 ILE A 8 12.971 -3.420 -6.802 1.00 13.24 C ATOM 110 CD1 ILE A 8 13.450 -3.173 -3.701 1.00 31.22 C ATOM 0 H ILE A 8 15.144 -6.253 -5.231 1.00 64.23 H new ATOM 0 HA ILE A 8 12.434 -5.333 -4.772 1.00 40.23 H new ATOM 0 HB ILE A 8 14.739 -4.603 -6.563 1.00 51.11 H new ATOM 0 HG12 ILE A 8 15.302 -4.054 -4.334 1.00 71.51 H new ATOM 0 HG13 ILE A 8 14.904 -2.559 -5.156 1.00 71.51 H new ATOM 0 HG21 ILE A 8 13.497 -2.511 -7.093 1.00 13.24 H new ATOM 0 HG22 ILE A 8 12.673 -3.969 -7.695 1.00 13.24 H new ATOM 0 HG23 ILE A 8 12.085 -3.157 -6.225 1.00 13.24 H new ATOM 0 HD11 ILE A 8 13.923 -2.606 -2.899 1.00 31.22 H new ATOM 0 HD12 ILE A 8 12.642 -2.583 -4.134 1.00 31.22 H new ATOM 0 HD13 ILE A 8 13.046 -4.102 -3.299 1.00 31.22 H new ATOM 122 N GLN A 9 11.179 -6.309 -6.670 1.00 52.11 N ATOM 123 CA GLN A 9 10.357 -6.623 -7.818 1.00 63.41 C ATOM 124 C GLN A 9 9.097 -5.763 -7.743 1.00 60.14 C ATOM 125 O GLN A 9 8.426 -5.765 -6.715 1.00 53.01 O ATOM 126 CB GLN A 9 10.035 -8.125 -7.837 1.00 35.13 C ATOM 127 CG GLN A 9 11.172 -8.949 -8.429 1.00 21.43 C ATOM 128 CD GLN A 9 10.731 -10.348 -8.834 1.00 21.51 C ATOM 129 OE1 GLN A 9 10.447 -10.580 -10.009 1.00 40.15 O ATOM 130 NE2 GLN A 9 10.754 -11.319 -7.935 1.00 75.34 N ATOM 0 H GLN A 9 10.636 -6.103 -5.831 1.00 52.11 H new ATOM 0 HA GLN A 9 10.880 -6.402 -8.749 1.00 63.41 H new ATOM 0 HB2 GLN A 9 9.833 -8.465 -6.821 1.00 35.13 H new ATOM 0 HB3 GLN A 9 9.127 -8.293 -8.416 1.00 35.13 H new ATOM 0 HG2 GLN A 9 11.575 -8.432 -9.300 1.00 21.43 H new ATOM 0 HG3 GLN A 9 11.980 -9.023 -7.701 1.00 21.43 H new ATOM 0 HE21 GLN A 9 10.991 -11.111 -6.965 1.00 75.34 H new ATOM 0 HE22 GLN A 9 10.534 -12.276 -8.212 1.00 75.34 H new ATOM 139 N LEU A 10 8.788 -5.016 -8.812 1.00 0.42 N ATOM 140 CA LEU A 10 7.510 -4.306 -8.961 1.00 74.55 C ATOM 141 C LEU A 10 6.472 -5.112 -9.741 1.00 24.50 C ATOM 142 O LEU A 10 5.352 -4.629 -9.920 1.00 54.31 O ATOM 143 CB LEU A 10 7.721 -2.935 -9.635 1.00 75.33 C ATOM 144 CG LEU A 10 7.718 -2.850 -11.182 1.00 73.53 C ATOM 145 CD1 LEU A 10 7.773 -1.395 -11.655 1.00 3.22 C ATOM 146 CD2 LEU A 10 8.886 -3.592 -11.823 1.00 55.33 C ATOM 0 H LEU A 10 9.421 -4.887 -9.602 1.00 0.42 H new ATOM 0 HA LEU A 10 7.120 -4.161 -7.953 1.00 74.55 H new ATOM 0 HB2 LEU A 10 6.944 -2.265 -9.267 1.00 75.33 H new ATOM 0 HB3 LEU A 10 8.675 -2.540 -9.286 1.00 75.33 H new ATOM 0 HG LEU A 10 6.787 -3.324 -11.494 1.00 73.53 H new ATOM 0 HD11 LEU A 10 7.770 -1.366 -12.745 1.00 3.22 H new ATOM 0 HD12 LEU A 10 6.905 -0.856 -11.275 1.00 3.22 H new ATOM 0 HD13 LEU A 10 8.683 -0.925 -11.282 1.00 3.22 H new ATOM 0 HD21 LEU A 10 8.828 -3.495 -12.907 1.00 55.33 H new ATOM 0 HD22 LEU A 10 9.825 -3.166 -11.471 1.00 55.33 H new ATOM 0 HD23 LEU A 10 8.841 -4.646 -11.550 1.00 55.33 H new ATOM 158 N HIS A 11 6.900 -6.243 -10.313 1.00 40.21 N ATOM 159 CA HIS A 11 6.154 -7.139 -11.173 1.00 31.54 C ATOM 160 C HIS A 11 5.325 -6.354 -12.188 1.00 44.11 C ATOM 161 O HIS A 11 4.118 -6.159 -12.033 1.00 62.13 O ATOM 162 CB HIS A 11 5.393 -8.208 -10.389 1.00 61.44 C ATOM 163 CG HIS A 11 6.263 -9.200 -9.662 1.00 75.35 C ATOM 164 ND1 HIS A 11 6.717 -10.379 -10.203 1.00 0.31 N ATOM 165 CD2 HIS A 11 6.725 -9.131 -8.374 1.00 75.25 C ATOM 166 CE1 HIS A 11 7.429 -11.014 -9.265 1.00 34.12 C ATOM 167 NE2 HIS A 11 7.461 -10.297 -8.130 1.00 1.20 N ATOM 0 H HIS A 11 7.854 -6.572 -10.168 1.00 40.21 H new ATOM 0 HA HIS A 11 6.860 -7.720 -11.767 1.00 31.54 H new ATOM 0 HB2 HIS A 11 4.746 -7.715 -9.664 1.00 61.44 H new ATOM 0 HB3 HIS A 11 4.745 -8.751 -11.077 1.00 61.44 H new ATOM 0 HD2 HIS A 11 6.553 -8.325 -7.675 1.00 75.25 H new ATOM 0 HE1 HIS A 11 7.911 -11.971 -9.402 1.00 34.12 H new ATOM 0 HE2 HIS A 11 7.930 -10.552 -7.261 1.00 1.20 H new ATOM 175 N LYS A 12 5.964 -5.876 -13.261 1.00 23.53 N ATOM 176 CA LYS A 12 5.240 -5.231 -14.360 1.00 63.51 C ATOM 177 C LYS A 12 4.183 -6.165 -14.972 1.00 14.00 C ATOM 178 O LYS A 12 3.245 -5.661 -15.581 1.00 62.53 O ATOM 179 CB LYS A 12 6.238 -4.667 -15.386 1.00 51.24 C ATOM 180 CG LYS A 12 6.636 -3.204 -15.105 1.00 21.33 C ATOM 181 CD LYS A 12 5.830 -2.204 -15.955 1.00 51.22 C ATOM 182 CE LYS A 12 6.418 -0.785 -15.951 1.00 53.35 C ATOM 183 NZ LYS A 12 7.746 -0.693 -16.599 1.00 33.50 N ATOM 0 H LYS A 12 6.975 -5.923 -13.391 1.00 23.53 H new ATOM 0 HA LYS A 12 4.675 -4.385 -13.969 1.00 63.51 H new ATOM 0 HB2 LYS A 12 7.135 -5.287 -15.389 1.00 51.24 H new ATOM 0 HB3 LYS A 12 5.801 -4.733 -16.382 1.00 51.24 H new ATOM 0 HG2 LYS A 12 6.483 -2.985 -14.048 1.00 21.33 H new ATOM 0 HG3 LYS A 12 7.699 -3.074 -15.307 1.00 21.33 H new ATOM 0 HD2 LYS A 12 5.783 -2.567 -16.982 1.00 51.22 H new ATOM 0 HD3 LYS A 12 4.806 -2.166 -15.583 1.00 51.22 H new ATOM 0 HE2 LYS A 12 5.727 -0.113 -16.460 1.00 53.35 H new ATOM 0 HE3 LYS A 12 6.500 -0.438 -14.921 1.00 53.35 H new ATOM 0 HZ1 LYS A 12 8.015 0.307 -16.698 1.00 33.50 H new ATOM 0 HZ2 LYS A 12 8.452 -1.186 -16.015 1.00 33.50 H new ATOM 0 HZ3 LYS A 12 7.705 -1.135 -17.539 1.00 33.50 H new ATOM 197 N ALA A 13 4.261 -7.482 -14.738 1.00 2.11 N ATOM 198 CA ALA A 13 3.252 -8.475 -15.085 1.00 71.42 C ATOM 199 C ALA A 13 1.836 -8.102 -14.611 1.00 12.01 C ATOM 200 O ALA A 13 0.938 -8.000 -15.448 1.00 24.50 O ATOM 201 CB ALA A 13 3.670 -9.838 -14.520 1.00 4.32 C ATOM 0 H ALA A 13 5.072 -7.897 -14.279 1.00 2.11 H new ATOM 0 HA ALA A 13 3.199 -8.516 -16.173 1.00 71.42 H new ATOM 0 HB1 ALA A 13 2.918 -10.584 -14.777 1.00 4.32 H new ATOM 0 HB2 ALA A 13 4.631 -10.129 -14.945 1.00 4.32 H new ATOM 0 HB3 ALA A 13 3.759 -9.771 -13.436 1.00 4.32 H new ATOM 207 N SER A 14 1.612 -7.944 -13.301 1.00 32.20 N ATOM 208 CA SER A 14 0.290 -7.788 -12.676 1.00 60.15 C ATOM 209 C SER A 14 0.285 -6.681 -11.604 1.00 54.25 C ATOM 210 O SER A 14 -0.705 -6.492 -10.902 1.00 53.05 O ATOM 211 CB SER A 14 -0.144 -9.136 -12.075 1.00 24.52 C ATOM 212 OG SER A 14 -1.538 -9.326 -12.163 1.00 61.15 O ATOM 0 H SER A 14 2.372 -7.920 -12.622 1.00 32.20 H new ATOM 0 HA SER A 14 -0.422 -7.482 -13.443 1.00 60.15 H new ATOM 0 HB2 SER A 14 0.366 -9.947 -12.595 1.00 24.52 H new ATOM 0 HB3 SER A 14 0.164 -9.184 -11.030 1.00 24.52 H new ATOM 0 HG SER A 14 -1.775 -10.193 -11.773 1.00 61.15 H new ATOM 218 N LYS A 15 1.361 -5.894 -11.512 1.00 42.12 N ATOM 219 CA LYS A 15 1.538 -4.747 -10.633 1.00 31.52 C ATOM 220 C LYS A 15 1.575 -5.132 -9.154 1.00 51.31 C ATOM 221 O LYS A 15 0.906 -4.514 -8.321 1.00 33.32 O ATOM 222 CB LYS A 15 0.533 -3.644 -10.986 1.00 24.22 C ATOM 223 CG LYS A 15 0.449 -3.309 -12.488 1.00 12.02 C ATOM 224 CD LYS A 15 -0.960 -3.588 -13.042 1.00 34.23 C ATOM 225 CE LYS A 15 -1.311 -2.627 -14.178 1.00 11.00 C ATOM 226 NZ LYS A 15 -2.767 -2.604 -14.440 1.00 51.12 N ATOM 0 H LYS A 15 2.184 -6.057 -12.092 1.00 42.12 H new ATOM 0 HA LYS A 15 2.528 -4.326 -10.809 1.00 31.52 H new ATOM 0 HB2 LYS A 15 -0.455 -3.946 -10.639 1.00 24.22 H new ATOM 0 HB3 LYS A 15 0.800 -2.739 -10.440 1.00 24.22 H new ATOM 0 HG2 LYS A 15 0.703 -2.261 -12.644 1.00 12.02 H new ATOM 0 HG3 LYS A 15 1.182 -3.900 -13.037 1.00 12.02 H new ATOM 0 HD2 LYS A 15 -1.015 -4.615 -13.402 1.00 34.23 H new ATOM 0 HD3 LYS A 15 -1.693 -3.491 -12.241 1.00 34.23 H new ATOM 0 HE2 LYS A 15 -0.970 -1.623 -13.925 1.00 11.00 H new ATOM 0 HE3 LYS A 15 -0.782 -2.924 -15.084 1.00 11.00 H new ATOM 0 HZ1 LYS A 15 -2.970 -1.942 -15.216 1.00 51.12 H new ATOM 0 HZ2 LYS A 15 -3.087 -3.557 -14.705 1.00 51.12 H new ATOM 0 HZ3 LYS A 15 -3.269 -2.296 -13.583 1.00 51.12 H new ATOM 240 N THR A 16 2.444 -6.073 -8.799 1.00 43.42 N ATOM 241 CA THR A 16 2.620 -6.561 -7.437 1.00 60.35 C ATOM 242 C THR A 16 3.985 -6.097 -6.930 1.00 21.51 C ATOM 243 O THR A 16 5.007 -6.359 -7.560 1.00 34.31 O ATOM 244 CB THR A 16 2.512 -8.096 -7.457 1.00 61.24 C ATOM 245 OG1 THR A 16 1.353 -8.525 -8.152 1.00 64.12 O ATOM 246 CG2 THR A 16 2.511 -8.726 -6.072 1.00 20.52 C ATOM 0 H THR A 16 3.062 -6.529 -9.470 1.00 43.42 H new ATOM 0 HA THR A 16 1.855 -6.170 -6.766 1.00 60.35 H new ATOM 0 HB THR A 16 3.409 -8.433 -7.976 1.00 61.24 H new ATOM 0 HG1 THR A 16 1.313 -9.504 -8.149 1.00 64.12 H new ATOM 0 HG21 THR A 16 2.432 -9.809 -6.165 1.00 20.52 H new ATOM 0 HG22 THR A 16 3.437 -8.472 -5.556 1.00 20.52 H new ATOM 0 HG23 THR A 16 1.663 -8.348 -5.501 1.00 20.52 H new ATOM 254 N LEU A 17 4.010 -5.361 -5.818 1.00 72.32 N ATOM 255 CA LEU A 17 5.248 -4.924 -5.184 1.00 54.15 C ATOM 256 C LEU A 17 5.694 -6.019 -4.221 1.00 63.24 C ATOM 257 O LEU A 17 4.929 -6.429 -3.342 1.00 11.43 O ATOM 258 CB LEU A 17 5.006 -3.587 -4.475 1.00 33.20 C ATOM 259 CG LEU A 17 6.226 -3.022 -3.722 1.00 33.33 C ATOM 260 CD1 LEU A 17 7.475 -2.794 -4.581 1.00 3.10 C ATOM 261 CD2 LEU A 17 5.790 -1.681 -3.120 1.00 74.34 C ATOM 0 H LEU A 17 3.168 -5.052 -5.333 1.00 72.32 H new ATOM 0 HA LEU A 17 6.040 -4.763 -5.915 1.00 54.15 H new ATOM 0 HB2 LEU A 17 4.682 -2.854 -5.214 1.00 33.20 H new ATOM 0 HB3 LEU A 17 4.186 -3.711 -3.768 1.00 33.20 H new ATOM 0 HG LEU A 17 6.521 -3.764 -2.980 1.00 33.33 H new ATOM 0 HD11 LEU A 17 8.277 -2.395 -3.959 1.00 3.10 H new ATOM 0 HD12 LEU A 17 7.792 -3.740 -5.020 1.00 3.10 H new ATOM 0 HD13 LEU A 17 7.245 -2.084 -5.376 1.00 3.10 H new ATOM 0 HD21 LEU A 17 6.623 -1.239 -2.574 1.00 74.34 H new ATOM 0 HD22 LEU A 17 5.481 -1.007 -3.919 1.00 74.34 H new ATOM 0 HD23 LEU A 17 4.955 -1.842 -2.439 1.00 74.34 H new ATOM 273 N THR A 18 6.928 -6.489 -4.365 1.00 0.30 N ATOM 274 CA THR A 18 7.420 -7.676 -3.692 1.00 61.15 C ATOM 275 C THR A 18 8.661 -7.278 -2.904 1.00 72.34 C ATOM 276 O THR A 18 9.532 -6.561 -3.409 1.00 0.01 O ATOM 277 CB THR A 18 7.640 -8.761 -4.749 1.00 52.35 C ATOM 278 OG1 THR A 18 6.373 -9.158 -5.238 1.00 24.22 O ATOM 279 CG2 THR A 18 8.415 -9.977 -4.242 1.00 21.51 C ATOM 0 H THR A 18 7.624 -6.045 -4.964 1.00 0.30 H new ATOM 0 HA THR A 18 6.719 -8.096 -2.971 1.00 61.15 H new ATOM 0 HB THR A 18 8.260 -8.333 -5.537 1.00 52.35 H new ATOM 0 HG1 THR A 18 6.099 -9.990 -4.798 1.00 24.22 H new ATOM 0 HG21 THR A 18 8.529 -10.699 -5.051 1.00 21.51 H new ATOM 0 HG22 THR A 18 9.399 -9.662 -3.895 1.00 21.51 H new ATOM 0 HG23 THR A 18 7.870 -10.438 -3.418 1.00 21.51 H new ATOM 287 N LEU A 19 8.692 -7.701 -1.640 1.00 63.31 N ATOM 288 CA LEU A 19 9.674 -7.308 -0.652 1.00 2.33 C ATOM 289 C LEU A 19 10.031 -8.544 0.146 1.00 31.11 C ATOM 290 O LEU A 19 9.191 -9.123 0.843 1.00 64.22 O ATOM 291 CB LEU A 19 9.134 -6.203 0.270 1.00 23.11 C ATOM 292 CG LEU A 19 9.029 -4.807 -0.377 1.00 3.01 C ATOM 293 CD1 LEU A 19 8.509 -3.822 0.674 1.00 33.33 C ATOM 294 CD2 LEU A 19 10.364 -4.274 -0.923 1.00 2.32 C ATOM 0 H LEU A 19 8.001 -8.354 -1.270 1.00 63.31 H new ATOM 0 HA LEU A 19 10.555 -6.898 -1.145 1.00 2.33 H new ATOM 0 HB2 LEU A 19 8.146 -6.497 0.625 1.00 23.11 H new ATOM 0 HB3 LEU A 19 9.780 -6.133 1.145 1.00 23.11 H new ATOM 0 HG LEU A 19 8.353 -4.903 -1.227 1.00 3.01 H new ATOM 0 HD11 LEU A 19 8.428 -2.828 0.233 1.00 33.33 H new ATOM 0 HD12 LEU A 19 7.528 -4.145 1.022 1.00 33.33 H new ATOM 0 HD13 LEU A 19 9.200 -3.790 1.516 1.00 33.33 H new ATOM 0 HD21 LEU A 19 10.210 -3.288 -1.362 1.00 2.32 H new ATOM 0 HD22 LEU A 19 11.086 -4.200 -0.110 1.00 2.32 H new ATOM 0 HD23 LEU A 19 10.744 -4.955 -1.684 1.00 2.32 H new ATOM 306 N ARG A 20 11.295 -8.942 0.050 1.00 22.20 N ATOM 307 CA ARG A 20 11.800 -10.118 0.727 1.00 63.52 C ATOM 308 C ARG A 20 12.138 -9.745 2.157 1.00 11.32 C ATOM 309 O ARG A 20 13.259 -9.287 2.410 1.00 20.52 O ATOM 310 CB ARG A 20 13.024 -10.615 -0.031 1.00 22.22 C ATOM 311 CG ARG A 20 13.513 -11.932 0.556 1.00 54.01 C ATOM 312 CD ARG A 20 15.001 -12.106 0.289 1.00 15.11 C ATOM 313 NE ARG A 20 15.420 -13.487 0.501 1.00 55.13 N ATOM 314 CZ ARG A 20 16.609 -13.980 0.141 1.00 63.14 C ATOM 315 NH1 ARG A 20 17.448 -13.223 -0.553 1.00 1.10 N ATOM 316 NH2 ARG A 20 16.984 -15.209 0.457 1.00 31.23 N ATOM 0 H ARG A 20 11.997 -8.451 -0.504 1.00 22.20 H new ATOM 0 HA ARG A 20 11.060 -10.918 0.751 1.00 63.52 H new ATOM 0 HB2 ARG A 20 12.778 -10.748 -1.084 1.00 22.22 H new ATOM 0 HB3 ARG A 20 13.818 -9.870 0.019 1.00 22.22 H new ATOM 0 HG2 ARG A 20 13.324 -11.953 1.629 1.00 54.01 H new ATOM 0 HG3 ARG A 20 12.958 -12.762 0.118 1.00 54.01 H new ATOM 0 HD2 ARG A 20 15.226 -11.809 -0.735 1.00 15.11 H new ATOM 0 HD3 ARG A 20 15.570 -11.447 0.945 1.00 15.11 H new ATOM 0 HE ARG A 20 14.761 -14.119 0.955 1.00 55.13 H new ATOM 0 HH11 ARG A 20 17.184 -12.271 -0.808 1.00 1.10 H new ATOM 0 HH12 ARG A 20 18.357 -13.592 -0.831 1.00 1.10 H new ATOM 0 HH21 ARG A 20 16.358 -15.812 0.991 1.00 31.23 H new ATOM 0 HH22 ARG A 20 17.899 -15.554 0.166 1.00 31.23 H new ATOM 330 N TYR A 21 11.171 -9.788 3.068 1.00 23.22 N ATOM 331 CA TYR A 21 11.400 -9.461 4.468 1.00 73.14 C ATOM 332 C TYR A 21 12.214 -10.598 5.091 1.00 51.02 C ATOM 333 O TYR A 21 11.653 -11.562 5.614 1.00 61.15 O ATOM 334 CB TYR A 21 10.065 -9.210 5.181 1.00 24.14 C ATOM 335 CG TYR A 21 10.204 -8.709 6.612 1.00 43.14 C ATOM 336 CD1 TYR A 21 10.355 -7.332 6.874 1.00 32.24 C ATOM 337 CD2 TYR A 21 10.198 -9.610 7.692 1.00 1.23 C ATOM 338 CE1 TYR A 21 10.534 -6.857 8.188 1.00 62.45 C ATOM 339 CE2 TYR A 21 10.363 -9.149 9.010 1.00 34.11 C ATOM 340 CZ TYR A 21 10.534 -7.771 9.266 1.00 5.43 C ATOM 341 OH TYR A 21 10.780 -7.330 10.527 1.00 11.02 O ATOM 0 H TYR A 21 10.209 -10.050 2.855 1.00 23.22 H new ATOM 0 HA TYR A 21 11.970 -8.537 4.571 1.00 73.14 H new ATOM 0 HB2 TYR A 21 9.491 -8.482 4.608 1.00 24.14 H new ATOM 0 HB3 TYR A 21 9.490 -10.136 5.187 1.00 24.14 H new ATOM 0 HD1 TYR A 21 10.333 -6.630 6.054 1.00 32.24 H new ATOM 0 HD2 TYR A 21 10.065 -10.666 7.507 1.00 1.23 H new ATOM 0 HE1 TYR A 21 10.670 -5.801 8.370 1.00 62.45 H new ATOM 0 HE2 TYR A 21 10.359 -9.852 9.830 1.00 34.11 H new ATOM 0 HH TYR A 21 10.742 -8.085 11.151 1.00 11.02 H new ATOM 351 N GLY A 22 13.539 -10.493 5.027 1.00 1.32 N ATOM 352 CA GLY A 22 14.469 -11.423 5.630 1.00 0.43 C ATOM 353 C GLY A 22 14.552 -12.661 4.759 1.00 31.10 C ATOM 354 O GLY A 22 15.177 -12.642 3.695 1.00 54.45 O ATOM 0 H GLY A 22 14.003 -9.729 4.535 1.00 1.32 H new ATOM 0 HA2 GLY A 22 15.453 -10.964 5.728 1.00 0.43 H new ATOM 0 HA3 GLY A 22 14.140 -11.689 6.634 1.00 0.43 H new ATOM 358 N GLU A 23 13.917 -13.730 5.217 1.00 3.44 N ATOM 359 CA GLU A 23 13.888 -15.040 4.603 1.00 34.44 C ATOM 360 C GLU A 23 12.558 -15.317 3.905 1.00 12.14 C ATOM 361 O GLU A 23 12.436 -16.308 3.182 1.00 35.50 O ATOM 362 CB GLU A 23 13.991 -16.040 5.756 1.00 11.11 C ATOM 363 CG GLU A 23 15.286 -15.936 6.566 1.00 34.13 C ATOM 364 CD GLU A 23 16.521 -16.369 5.779 1.00 12.22 C ATOM 365 OE1 GLU A 23 16.421 -17.261 4.901 1.00 41.41 O ATOM 366 OE2 GLU A 23 17.613 -15.817 6.037 1.00 35.20 O ATOM 0 H GLU A 23 13.376 -13.699 6.081 1.00 3.44 H new ATOM 0 HA GLU A 23 14.688 -15.112 3.866 1.00 34.44 H new ATOM 0 HB2 GLU A 23 13.144 -15.893 6.426 1.00 11.11 H new ATOM 0 HB3 GLU A 23 13.908 -17.050 5.354 1.00 11.11 H new ATOM 0 HG2 GLU A 23 15.417 -14.907 6.899 1.00 34.13 H new ATOM 0 HG3 GLU A 23 15.198 -16.552 7.461 1.00 34.13 H new ATOM 373 N ASP A 24 11.561 -14.469 4.144 1.00 0.30 N ATOM 374 CA ASP A 24 10.192 -14.617 3.669 1.00 61.13 C ATOM 375 C ASP A 24 10.033 -13.825 2.369 1.00 60.21 C ATOM 376 O ASP A 24 10.960 -13.132 1.936 1.00 23.50 O ATOM 377 CB ASP A 24 9.216 -14.101 4.741 1.00 61.21 C ATOM 378 CG ASP A 24 9.065 -15.018 5.956 1.00 42.04 C ATOM 379 OD1 ASP A 24 10.018 -15.125 6.773 1.00 60.13 O ATOM 380 OD2 ASP A 24 7.951 -15.548 6.170 1.00 41.44 O ATOM 0 H ASP A 24 11.693 -13.623 4.699 1.00 0.30 H new ATOM 0 HA ASP A 24 9.970 -15.667 3.478 1.00 61.13 H new ATOM 0 HB2 ASP A 24 9.554 -13.122 5.081 1.00 61.21 H new ATOM 0 HB3 ASP A 24 8.236 -13.960 4.284 1.00 61.21 H new ATOM 385 N SER A 25 8.863 -13.901 1.747 1.00 33.51 N ATOM 386 CA SER A 25 8.463 -13.166 0.571 1.00 33.41 C ATOM 387 C SER A 25 7.028 -12.715 0.783 1.00 15.42 C ATOM 388 O SER A 25 6.159 -13.538 1.084 1.00 73.14 O ATOM 389 CB SER A 25 8.559 -14.066 -0.666 1.00 13.30 C ATOM 390 OG SER A 25 8.455 -15.459 -0.386 1.00 72.42 O ATOM 0 H SER A 25 8.125 -14.521 2.079 1.00 33.51 H new ATOM 0 HA SER A 25 9.114 -12.306 0.413 1.00 33.41 H new ATOM 0 HB2 SER A 25 7.771 -13.788 -1.365 1.00 13.30 H new ATOM 0 HB3 SER A 25 9.509 -13.877 -1.165 1.00 13.30 H new ATOM 0 HG SER A 25 8.523 -15.967 -1.222 1.00 72.42 H new ATOM 396 N TYR A 26 6.768 -11.421 0.620 1.00 11.12 N ATOM 397 CA TYR A 26 5.410 -10.904 0.650 1.00 32.41 C ATOM 398 C TYR A 26 5.173 -10.026 -0.562 1.00 63.12 C ATOM 399 O TYR A 26 6.020 -9.207 -0.935 1.00 22.53 O ATOM 400 CB TYR A 26 5.140 -10.162 1.953 1.00 13.41 C ATOM 401 CG TYR A 26 5.506 -10.951 3.192 1.00 74.23 C ATOM 402 CD1 TYR A 26 4.790 -12.116 3.531 1.00 55.32 C ATOM 403 CD2 TYR A 26 6.603 -10.545 3.968 1.00 55.15 C ATOM 404 CE1 TYR A 26 5.168 -12.884 4.647 1.00 60.13 C ATOM 405 CE2 TYR A 26 6.931 -11.268 5.129 1.00 71.11 C ATOM 406 CZ TYR A 26 6.231 -12.447 5.465 1.00 1.12 C ATOM 407 OH TYR A 26 6.598 -13.148 6.572 1.00 35.31 O ATOM 0 H TYR A 26 7.485 -10.712 0.466 1.00 11.12 H new ATOM 0 HA TYR A 26 4.707 -11.736 0.609 1.00 32.41 H new ATOM 0 HB2 TYR A 26 5.700 -9.227 1.951 1.00 13.41 H new ATOM 0 HB3 TYR A 26 4.083 -9.901 1.999 1.00 13.41 H new ATOM 0 HD1 TYR A 26 3.946 -12.421 2.930 1.00 55.32 H new ATOM 0 HD2 TYR A 26 7.189 -9.686 3.676 1.00 55.15 H new ATOM 0 HE1 TYR A 26 4.648 -13.802 4.876 1.00 60.13 H new ATOM 0 HE2 TYR A 26 7.726 -10.918 5.770 1.00 71.11 H new ATOM 0 HH TYR A 26 6.559 -14.108 6.379 1.00 35.31 H new ATOM 417 N ASP A 27 3.999 -10.213 -1.151 1.00 0.43 N ATOM 418 CA ASP A 27 3.630 -9.803 -2.492 1.00 63.32 C ATOM 419 C ASP A 27 2.358 -8.997 -2.333 1.00 3.20 C ATOM 420 O ASP A 27 1.313 -9.560 -1.992 1.00 1.23 O ATOM 421 CB ASP A 27 3.370 -11.050 -3.346 1.00 20.43 C ATOM 422 CG ASP A 27 4.621 -11.889 -3.560 1.00 41.22 C ATOM 423 OD1 ASP A 27 5.567 -11.398 -4.206 1.00 3.01 O ATOM 424 OD2 ASP A 27 4.628 -13.053 -3.094 1.00 2.43 O ATOM 0 H ASP A 27 3.233 -10.686 -0.671 1.00 0.43 H new ATOM 0 HA ASP A 27 4.411 -9.220 -2.981 1.00 63.32 H new ATOM 0 HB2 ASP A 27 2.606 -11.661 -2.865 1.00 20.43 H new ATOM 0 HB3 ASP A 27 2.972 -10.745 -4.314 1.00 20.43 H new ATOM 429 N LEU A 28 2.460 -7.671 -2.406 1.00 21.30 N ATOM 430 CA LEU A 28 1.346 -6.785 -2.097 1.00 72.44 C ATOM 431 C LEU A 28 0.859 -6.139 -3.396 1.00 33.13 C ATOM 432 O LEU A 28 1.674 -5.841 -4.276 1.00 33.51 O ATOM 433 CB LEU A 28 1.736 -5.719 -1.059 1.00 40.43 C ATOM 434 CG LEU A 28 2.855 -6.081 -0.063 1.00 13.24 C ATOM 435 CD1 LEU A 28 3.025 -4.941 0.931 1.00 72.52 C ATOM 436 CD2 LEU A 28 2.769 -7.386 0.746 1.00 35.30 C ATOM 0 H LEU A 28 3.314 -7.185 -2.680 1.00 21.30 H new ATOM 0 HA LEU A 28 0.540 -7.369 -1.652 1.00 72.44 H new ATOM 0 HB2 LEU A 28 2.039 -4.820 -1.596 1.00 40.43 H new ATOM 0 HB3 LEU A 28 0.844 -5.463 -0.487 1.00 40.43 H new ATOM 0 HG LEU A 28 3.698 -6.251 -0.733 1.00 13.24 H new ATOM 0 HD11 LEU A 28 3.815 -5.190 1.639 1.00 72.52 H new ATOM 0 HD12 LEU A 28 3.291 -4.029 0.397 1.00 72.52 H new ATOM 0 HD13 LEU A 28 2.091 -4.786 1.470 1.00 72.52 H new ATOM 0 HD21 LEU A 28 3.642 -7.472 1.392 1.00 35.30 H new ATOM 0 HD22 LEU A 28 1.866 -7.377 1.356 1.00 35.30 H new ATOM 0 HD23 LEU A 28 2.738 -8.236 0.064 1.00 35.30 H new ATOM 448 N PRO A 29 -0.448 -5.880 -3.533 1.00 60.25 N ATOM 449 CA PRO A 29 -0.970 -5.199 -4.705 1.00 75.11 C ATOM 450 C PRO A 29 -0.550 -3.739 -4.687 1.00 12.42 C ATOM 451 O PRO A 29 -0.318 -3.177 -3.614 1.00 34.50 O ATOM 452 CB PRO A 29 -2.485 -5.298 -4.583 1.00 63.32 C ATOM 453 CG PRO A 29 -2.741 -5.417 -3.083 1.00 64.14 C ATOM 454 CD PRO A 29 -1.493 -6.115 -2.550 1.00 62.42 C ATOM 0 HA PRO A 29 -0.600 -5.639 -5.631 1.00 75.11 H new ATOM 0 HB2 PRO A 29 -2.975 -4.419 -5.001 1.00 63.32 H new ATOM 0 HB3 PRO A 29 -2.871 -6.164 -5.121 1.00 63.32 H new ATOM 0 HG2 PRO A 29 -2.879 -4.439 -2.623 1.00 64.14 H new ATOM 0 HG3 PRO A 29 -3.641 -5.996 -2.876 1.00 64.14 H new ATOM 0 HD2 PRO A 29 -1.209 -5.716 -1.576 1.00 62.42 H new ATOM 0 HD3 PRO A 29 -1.670 -7.182 -2.417 1.00 62.42 H new ATOM 462 N ALA A 30 -0.557 -3.086 -5.847 1.00 54.43 N ATOM 463 CA ALA A 30 -0.294 -1.658 -5.905 1.00 43.05 C ATOM 464 C ALA A 30 -1.303 -0.882 -5.037 1.00 61.45 C ATOM 465 O ALA A 30 -0.930 0.075 -4.352 1.00 73.25 O ATOM 466 CB ALA A 30 -0.346 -1.192 -7.365 1.00 4.00 C ATOM 0 H ALA A 30 -0.741 -3.522 -6.750 1.00 54.43 H new ATOM 0 HA ALA A 30 0.700 -1.458 -5.506 1.00 43.05 H new ATOM 0 HB1 ALA A 30 -0.149 -0.121 -7.412 1.00 4.00 H new ATOM 0 HB2 ALA A 30 0.408 -1.725 -7.944 1.00 4.00 H new ATOM 0 HB3 ALA A 30 -1.334 -1.398 -7.778 1.00 4.00 H new ATOM 472 N GLU A 31 -2.576 -1.306 -5.051 1.00 24.51 N ATOM 473 CA GLU A 31 -3.668 -0.657 -4.332 1.00 44.45 C ATOM 474 C GLU A 31 -3.373 -0.519 -2.841 1.00 22.51 C ATOM 475 O GLU A 31 -3.721 0.495 -2.241 1.00 33.12 O ATOM 476 CB GLU A 31 -5.024 -1.354 -4.597 1.00 22.20 C ATOM 477 CG GLU A 31 -5.317 -2.659 -3.811 1.00 61.41 C ATOM 478 CD GLU A 31 -5.638 -3.908 -4.643 1.00 63.35 C ATOM 479 OE1 GLU A 31 -5.291 -3.986 -5.838 1.00 72.55 O ATOM 480 OE2 GLU A 31 -6.080 -4.909 -4.030 1.00 71.15 O ATOM 0 H GLU A 31 -2.875 -2.128 -5.576 1.00 24.51 H new ATOM 0 HA GLU A 31 -3.750 0.356 -4.726 1.00 44.45 H new ATOM 0 HB2 GLU A 31 -5.819 -0.641 -4.376 1.00 22.20 H new ATOM 0 HB3 GLU A 31 -5.085 -1.580 -5.662 1.00 22.20 H new ATOM 0 HG2 GLU A 31 -4.453 -2.880 -3.185 1.00 61.41 H new ATOM 0 HG3 GLU A 31 -6.156 -2.472 -3.141 1.00 61.41 H new ATOM 487 N PHE A 32 -2.702 -1.511 -2.247 1.00 62.23 N ATOM 488 CA PHE A 32 -2.481 -1.580 -0.813 1.00 63.22 C ATOM 489 C PHE A 32 -1.648 -0.384 -0.362 1.00 21.54 C ATOM 490 O PHE A 32 -2.032 0.338 0.556 1.00 64.32 O ATOM 491 CB PHE A 32 -1.826 -2.922 -0.481 1.00 43.24 C ATOM 492 CG PHE A 32 -1.178 -2.973 0.877 1.00 61.53 C ATOM 493 CD1 PHE A 32 -1.969 -3.185 2.026 1.00 75.35 C ATOM 494 CD2 PHE A 32 0.216 -2.818 0.996 1.00 44.34 C ATOM 495 CE1 PHE A 32 -1.371 -3.293 3.290 1.00 10.41 C ATOM 496 CE2 PHE A 32 0.799 -2.952 2.260 1.00 35.53 C ATOM 497 CZ PHE A 32 0.024 -3.198 3.405 1.00 1.14 C ATOM 0 H PHE A 32 -2.296 -2.293 -2.760 1.00 62.23 H new ATOM 0 HA PHE A 32 -3.424 -1.527 -0.269 1.00 63.22 H new ATOM 0 HB2 PHE A 32 -2.580 -3.706 -0.541 1.00 43.24 H new ATOM 0 HB3 PHE A 32 -1.074 -3.144 -1.238 1.00 43.24 H new ATOM 0 HD1 PHE A 32 -3.042 -3.265 1.932 1.00 75.35 H new ATOM 0 HD2 PHE A 32 0.823 -2.600 0.129 1.00 44.34 H new ATOM 0 HE1 PHE A 32 -1.980 -3.448 4.168 1.00 10.41 H new ATOM 0 HE2 PHE A 32 1.871 -2.864 2.358 1.00 35.53 H new ATOM 0 HZ PHE A 32 0.499 -3.313 4.368 1.00 1.14 H new ATOM 507 N LEU A 33 -0.512 -0.162 -1.016 1.00 74.43 N ATOM 508 CA LEU A 33 0.416 0.895 -0.668 1.00 1.13 C ATOM 509 C LEU A 33 -0.157 2.265 -0.979 1.00 71.53 C ATOM 510 O LEU A 33 0.021 3.191 -0.193 1.00 14.21 O ATOM 511 CB LEU A 33 1.723 0.656 -1.409 1.00 72.34 C ATOM 512 CG LEU A 33 2.424 -0.648 -1.012 1.00 44.33 C ATOM 513 CD1 LEU A 33 2.641 -0.846 0.491 1.00 34.24 C ATOM 514 CD2 LEU A 33 2.076 -1.825 -1.924 1.00 55.31 C ATOM 0 H LEU A 33 -0.211 -0.722 -1.813 1.00 74.43 H new ATOM 0 HA LEU A 33 0.599 0.876 0.406 1.00 1.13 H new ATOM 0 HB2 LEU A 33 1.526 0.641 -2.481 1.00 72.34 H new ATOM 0 HB3 LEU A 33 2.396 1.492 -1.221 1.00 72.34 H new ATOM 0 HG LEU A 33 3.482 -0.554 -1.257 1.00 44.33 H new ATOM 0 HD11 LEU A 33 3.144 -1.798 0.664 1.00 34.24 H new ATOM 0 HD12 LEU A 33 3.256 -0.035 0.880 1.00 34.24 H new ATOM 0 HD13 LEU A 33 1.678 -0.847 1.001 1.00 34.24 H new ATOM 0 HD21 LEU A 33 2.606 -2.716 -1.587 1.00 55.31 H new ATOM 0 HD22 LEU A 33 1.002 -2.007 -1.889 1.00 55.31 H new ATOM 0 HD23 LEU A 33 2.372 -1.592 -2.947 1.00 55.31 H new ATOM 526 N ARG A 34 -0.888 2.396 -2.088 1.00 35.50 N ATOM 527 CA ARG A 34 -1.694 3.594 -2.339 1.00 61.51 C ATOM 528 C ARG A 34 -2.620 3.868 -1.151 1.00 30.20 C ATOM 529 O ARG A 34 -2.604 4.994 -0.662 1.00 30.23 O ATOM 530 CB ARG A 34 -2.395 3.500 -3.707 1.00 60.13 C ATOM 531 CG ARG A 34 -3.476 4.558 -4.012 1.00 54.05 C ATOM 532 CD ARG A 34 -3.180 6.034 -3.674 1.00 60.42 C ATOM 533 NE ARG A 34 -1.898 6.563 -4.181 1.00 32.31 N ATOM 534 CZ ARG A 34 -1.207 7.576 -3.627 1.00 74.52 C ATOM 535 NH1 ARG A 34 -1.521 8.097 -2.443 1.00 70.14 N ATOM 536 NH2 ARG A 34 -0.162 8.084 -4.261 1.00 45.15 N ATOM 0 H ARG A 34 -0.939 1.691 -2.824 1.00 35.50 H new ATOM 0 HA ARG A 34 -1.053 4.473 -2.413 1.00 61.51 H new ATOM 0 HB2 ARG A 34 -1.633 3.560 -4.484 1.00 60.13 H new ATOM 0 HB3 ARG A 34 -2.853 2.514 -3.786 1.00 60.13 H new ATOM 0 HG2 ARG A 34 -3.704 4.501 -5.076 1.00 54.05 H new ATOM 0 HG3 ARG A 34 -4.381 4.271 -3.477 1.00 54.05 H new ATOM 0 HD2 ARG A 34 -3.988 6.648 -4.072 1.00 60.42 H new ATOM 0 HD3 ARG A 34 -3.196 6.150 -2.590 1.00 60.42 H new ATOM 0 HE ARG A 34 -1.506 6.127 -5.016 1.00 32.31 H new ATOM 0 HH11 ARG A 34 -2.314 7.728 -1.918 1.00 70.14 H new ATOM 0 HH12 ARG A 34 -0.969 8.865 -2.061 1.00 70.14 H new ATOM 0 HH21 ARG A 34 0.117 7.708 -5.167 1.00 45.15 H new ATOM 0 HH22 ARG A 34 0.364 8.852 -3.844 1.00 45.15 H new ATOM 550 N VAL A 35 -3.430 2.926 -0.664 1.00 65.35 N ATOM 551 CA VAL A 35 -4.340 3.250 0.440 1.00 62.55 C ATOM 552 C VAL A 35 -3.582 3.491 1.753 1.00 51.15 C ATOM 553 O VAL A 35 -3.895 4.447 2.467 1.00 74.35 O ATOM 554 CB VAL A 35 -5.503 2.249 0.550 1.00 65.22 C ATOM 555 CG1 VAL A 35 -6.299 2.277 -0.765 1.00 35.20 C ATOM 556 CG2 VAL A 35 -5.139 0.802 0.904 1.00 33.23 C ATOM 0 H VAL A 35 -3.477 1.964 -1.001 1.00 65.35 H new ATOM 0 HA VAL A 35 -4.817 4.202 0.208 1.00 62.55 H new ATOM 0 HB VAL A 35 -6.088 2.587 1.406 1.00 65.22 H new ATOM 0 HG11 VAL A 35 -7.128 1.572 -0.704 1.00 35.20 H new ATOM 0 HG12 VAL A 35 -6.688 3.281 -0.933 1.00 35.20 H new ATOM 0 HG13 VAL A 35 -5.646 1.998 -1.592 1.00 35.20 H new ATOM 0 HG21 VAL A 35 -6.046 0.200 0.950 1.00 33.23 H new ATOM 0 HG22 VAL A 35 -4.473 0.397 0.142 1.00 33.23 H new ATOM 0 HG23 VAL A 35 -4.638 0.779 1.872 1.00 33.23 H new ATOM 566 N HIS A 36 -2.534 2.721 2.053 1.00 22.53 N ATOM 567 CA HIS A 36 -1.690 2.934 3.226 1.00 3.44 C ATOM 568 C HIS A 36 -0.600 3.983 2.921 1.00 72.12 C ATOM 569 O HIS A 36 0.574 3.756 3.205 1.00 3.12 O ATOM 570 CB HIS A 36 -1.139 1.592 3.753 1.00 31.23 C ATOM 571 CG HIS A 36 -0.941 1.592 5.258 1.00 74.52 C ATOM 572 ND1 HIS A 36 -0.512 2.656 6.019 1.00 21.24 N ATOM 573 CD2 HIS A 36 -1.202 0.560 6.122 1.00 25.40 C ATOM 574 CE1 HIS A 36 -0.464 2.259 7.302 1.00 22.10 C ATOM 575 NE2 HIS A 36 -0.853 0.979 7.414 1.00 62.24 N ATOM 0 H HIS A 36 -2.247 1.926 1.482 1.00 22.53 H new ATOM 0 HA HIS A 36 -2.288 3.347 4.038 1.00 3.44 H new ATOM 0 HB2 HIS A 36 -1.825 0.790 3.481 1.00 31.23 H new ATOM 0 HB3 HIS A 36 -0.188 1.377 3.265 1.00 31.23 H new ATOM 0 HD1 HIS A 36 -0.272 3.584 5.670 1.00 21.24 H new ATOM 0 HD2 HIS A 36 -1.605 -0.406 5.855 1.00 25.40 H new ATOM 0 HE1 HIS A 36 -0.155 2.883 8.128 1.00 22.10 H new ATOM 583 N SER A 37 -0.972 5.142 2.362 1.00 5.31 N ATOM 584 CA SER A 37 -0.055 6.221 1.994 1.00 72.12 C ATOM 585 C SER A 37 -0.321 7.468 2.846 1.00 30.24 C ATOM 586 O SER A 37 -1.018 8.380 2.394 1.00 45.33 O ATOM 587 CB SER A 37 -0.148 6.508 0.492 1.00 24.52 C ATOM 588 OG SER A 37 0.713 7.557 0.078 1.00 21.32 O ATOM 0 H SER A 37 -1.946 5.358 2.149 1.00 5.31 H new ATOM 0 HA SER A 37 0.969 5.908 2.200 1.00 72.12 H new ATOM 0 HB2 SER A 37 0.098 5.602 -0.062 1.00 24.52 H new ATOM 0 HB3 SER A 37 -1.176 6.767 0.239 1.00 24.52 H new ATOM 0 HG SER A 37 0.616 7.698 -0.887 1.00 21.32 H new ATOM 594 N PRO A 38 0.262 7.568 4.049 1.00 2.44 N ATOM 595 CA PRO A 38 0.494 8.862 4.661 1.00 32.11 C ATOM 596 C PRO A 38 1.462 9.630 3.754 1.00 33.23 C ATOM 597 O PRO A 38 2.533 9.117 3.421 1.00 21.24 O ATOM 598 CB PRO A 38 1.092 8.574 6.043 1.00 32.34 C ATOM 599 CG PRO A 38 1.568 7.122 6.014 1.00 23.20 C ATOM 600 CD PRO A 38 1.076 6.551 4.686 1.00 31.33 C ATOM 0 HA PRO A 38 -0.405 9.467 4.778 1.00 32.11 H new ATOM 0 HB2 PRO A 38 1.920 9.250 6.256 1.00 32.34 H new ATOM 0 HB3 PRO A 38 0.349 8.723 6.826 1.00 32.34 H new ATOM 0 HG2 PRO A 38 2.654 7.065 6.086 1.00 23.20 H new ATOM 0 HG3 PRO A 38 1.163 6.560 6.856 1.00 23.20 H new ATOM 0 HD2 PRO A 38 1.918 6.280 4.050 1.00 31.33 H new ATOM 0 HD3 PRO A 38 0.496 5.643 4.851 1.00 31.33 H new ATOM 608 N SER A 39 1.109 10.846 3.334 1.00 23.10 N ATOM 609 CA SER A 39 2.113 11.766 2.822 1.00 41.22 C ATOM 610 C SER A 39 3.041 12.129 3.990 1.00 14.33 C ATOM 611 O SER A 39 2.709 11.955 5.168 1.00 41.25 O ATOM 612 CB SER A 39 1.448 12.996 2.187 1.00 72.34 C ATOM 613 OG SER A 39 2.408 13.912 1.699 1.00 34.11 O ATOM 0 H SER A 39 0.155 11.207 3.339 1.00 23.10 H new ATOM 0 HA SER A 39 2.702 11.306 2.028 1.00 41.22 H new ATOM 0 HB2 SER A 39 0.799 12.679 1.371 1.00 72.34 H new ATOM 0 HB3 SER A 39 0.815 13.490 2.924 1.00 72.34 H new ATOM 0 HG SER A 39 1.952 14.682 1.300 1.00 34.11 H new ATOM 619 N ALA A 40 4.169 12.749 3.668 1.00 2.21 N ATOM 620 CA ALA A 40 4.961 13.475 4.644 1.00 22.14 C ATOM 621 C ALA A 40 4.232 14.727 5.169 1.00 24.41 C ATOM 622 O ALA A 40 4.668 15.312 6.159 1.00 74.51 O ATOM 623 CB ALA A 40 6.293 13.828 4.002 1.00 54.03 C ATOM 0 H ALA A 40 4.557 12.761 2.725 1.00 2.21 H new ATOM 0 HA ALA A 40 5.126 12.844 5.517 1.00 22.14 H new ATOM 0 HB1 ALA A 40 6.908 14.375 4.717 1.00 54.03 H new ATOM 0 HB2 ALA A 40 6.808 12.914 3.706 1.00 54.03 H new ATOM 0 HB3 ALA A 40 6.120 14.448 3.123 1.00 54.03 H new ATOM 629 N GLU A 41 3.095 15.111 4.588 1.00 53.31 N ATOM 630 CA GLU A 41 2.250 16.219 5.031 1.00 5.11 C ATOM 631 C GLU A 41 1.293 15.778 6.148 1.00 12.40 C ATOM 632 O GLU A 41 0.164 16.277 6.231 1.00 63.54 O ATOM 633 CB GLU A 41 1.401 16.732 3.853 1.00 23.23 C ATOM 634 CG GLU A 41 2.155 17.262 2.634 1.00 72.32 C ATOM 635 CD GLU A 41 1.184 17.731 1.537 1.00 42.14 C ATOM 636 OE1 GLU A 41 -0.040 17.442 1.606 1.00 34.30 O ATOM 637 OE2 GLU A 41 1.654 18.377 0.577 1.00 61.35 O ATOM 0 H GLU A 41 2.723 14.640 3.763 1.00 53.31 H new ATOM 0 HA GLU A 41 2.907 17.003 5.406 1.00 5.11 H new ATOM 0 HB2 GLU A 41 0.753 15.920 3.524 1.00 23.23 H new ATOM 0 HB3 GLU A 41 0.753 17.527 4.223 1.00 23.23 H new ATOM 0 HG2 GLU A 41 2.797 18.091 2.933 1.00 72.32 H new ATOM 0 HG3 GLU A 41 2.805 16.482 2.238 1.00 72.32 H new ATOM 644 N VAL A 42 1.673 14.784 6.951 1.00 14.30 N ATOM 645 CA VAL A 42 0.730 14.136 7.853 1.00 21.54 C ATOM 646 C VAL A 42 1.285 13.918 9.250 1.00 52.33 C ATOM 647 O VAL A 42 0.728 14.510 10.161 1.00 13.04 O ATOM 648 CB VAL A 42 0.138 12.843 7.266 1.00 4.30 C ATOM 649 CG1 VAL A 42 -1.071 12.472 8.139 1.00 14.10 C ATOM 650 CG2 VAL A 42 -0.305 12.993 5.804 1.00 45.05 C ATOM 0 H VAL A 42 2.623 14.414 6.993 1.00 14.30 H new ATOM 0 HA VAL A 42 -0.093 14.843 7.959 1.00 21.54 H new ATOM 0 HB VAL A 42 0.905 12.069 7.269 1.00 4.30 H new ATOM 0 HG11 VAL A 42 -1.526 11.557 7.760 1.00 14.10 H new ATOM 0 HG12 VAL A 42 -0.743 12.316 9.167 1.00 14.10 H new ATOM 0 HG13 VAL A 42 -1.802 13.280 8.110 1.00 14.10 H new ATOM 0 HG21 VAL A 42 -0.713 12.047 5.449 1.00 45.05 H new ATOM 0 HG22 VAL A 42 -1.069 13.767 5.733 1.00 45.05 H new ATOM 0 HG23 VAL A 42 0.552 13.271 5.191 1.00 45.05 H new ATOM 660 N GLN A 43 2.244 13.005 9.454 1.00 61.25 N ATOM 661 CA GLN A 43 2.768 12.551 10.751 1.00 73.53 C ATOM 662 C GLN A 43 1.670 12.296 11.812 1.00 4.23 C ATOM 663 O GLN A 43 1.848 12.539 13.013 1.00 51.25 O ATOM 664 CB GLN A 43 3.986 13.371 11.203 1.00 12.10 C ATOM 665 CG GLN A 43 3.792 14.887 11.134 1.00 44.45 C ATOM 666 CD GLN A 43 4.443 15.519 9.906 1.00 25.24 C ATOM 667 OE1 GLN A 43 5.658 15.473 9.722 1.00 34.53 O ATOM 668 NE2 GLN A 43 3.679 16.147 9.038 1.00 72.25 N ATOM 0 H GLN A 43 2.702 12.536 8.673 1.00 61.25 H new ATOM 0 HA GLN A 43 3.171 11.549 10.607 1.00 73.53 H new ATOM 0 HB2 GLN A 43 4.233 13.095 12.228 1.00 12.10 H new ATOM 0 HB3 GLN A 43 4.841 13.098 10.585 1.00 12.10 H new ATOM 0 HG2 GLN A 43 2.725 15.111 11.128 1.00 44.45 H new ATOM 0 HG3 GLN A 43 4.208 15.342 12.033 1.00 44.45 H new ATOM 0 HE21 GLN A 43 2.670 16.190 9.183 1.00 72.25 H new ATOM 0 HE22 GLN A 43 4.095 16.591 8.220 1.00 72.25 H new ATOM 677 N GLY A 44 0.510 11.803 11.376 1.00 54.23 N ATOM 678 CA GLY A 44 -0.682 11.629 12.190 1.00 11.14 C ATOM 679 C GLY A 44 -1.194 12.945 12.774 1.00 43.25 C ATOM 680 O GLY A 44 -1.460 13.034 13.975 1.00 62.51 O ATOM 0 H GLY A 44 0.375 11.505 10.410 1.00 54.23 H new ATOM 0 HA2 GLY A 44 -1.467 11.175 11.585 1.00 11.14 H new ATOM 0 HA3 GLY A 44 -0.464 10.936 13.003 1.00 11.14 H new ATOM 684 N HIS A 45 -1.312 13.983 11.949 1.00 32.33 N ATOM 685 CA HIS A 45 -2.095 15.180 12.200 1.00 2.04 C ATOM 686 C HIS A 45 -3.347 15.049 11.344 1.00 2.44 C ATOM 687 O HIS A 45 -3.248 14.900 10.123 1.00 73.22 O ATOM 688 CB HIS A 45 -1.319 16.454 11.826 1.00 52.32 C ATOM 689 CG HIS A 45 -0.184 16.799 12.756 1.00 43.31 C ATOM 690 ND1 HIS A 45 -0.002 18.015 13.371 1.00 3.32 N ATOM 691 CD2 HIS A 45 0.882 16.006 13.086 1.00 52.21 C ATOM 692 CE1 HIS A 45 1.125 17.947 14.090 1.00 2.00 C ATOM 693 NE2 HIS A 45 1.714 16.745 13.943 1.00 63.54 N ATOM 0 H HIS A 45 -0.840 14.009 11.045 1.00 32.33 H new ATOM 0 HA HIS A 45 -2.335 15.269 13.260 1.00 2.04 H new ATOM 0 HB2 HIS A 45 -0.921 16.337 10.818 1.00 52.32 H new ATOM 0 HB3 HIS A 45 -2.016 17.292 11.799 1.00 52.32 H new ATOM 0 HD2 HIS A 45 1.053 14.994 12.748 1.00 52.21 H new ATOM 0 HE1 HIS A 45 1.510 18.747 14.705 1.00 2.00 H new ATOM 0 HE2 HIS A 45 2.588 16.434 14.368 1.00 63.54 H new ATOM 701 N GLY A 46 -4.510 15.107 11.982 1.00 62.34 N ATOM 702 CA GLY A 46 -5.806 15.067 11.336 1.00 52.22 C ATOM 703 C GLY A 46 -6.507 13.754 11.653 1.00 52.31 C ATOM 704 O GLY A 46 -5.871 12.724 11.895 1.00 30.30 O ATOM 0 H GLY A 46 -4.573 15.186 12.997 1.00 62.34 H new ATOM 0 HA2 GLY A 46 -6.416 15.905 11.674 1.00 52.22 H new ATOM 0 HA3 GLY A 46 -5.687 15.174 10.258 1.00 52.22 H new ATOM 708 N ASN A 47 -7.839 13.789 11.602 1.00 45.11 N ATOM 709 CA ASN A 47 -8.706 12.620 11.737 1.00 30.31 C ATOM 710 C ASN A 47 -8.330 11.536 10.711 1.00 12.20 C ATOM 711 O ASN A 47 -7.732 11.859 9.679 1.00 25.42 O ATOM 712 CB ASN A 47 -10.173 13.065 11.569 1.00 31.12 C ATOM 713 CG ASN A 47 -10.439 13.723 10.223 1.00 72.10 C ATOM 714 OD1 ASN A 47 -10.453 14.947 10.122 1.00 33.53 O ATOM 715 ND2 ASN A 47 -10.628 12.969 9.162 1.00 33.51 N ATOM 0 H ASN A 47 -8.358 14.656 11.462 1.00 45.11 H new ATOM 0 HA ASN A 47 -8.576 12.182 12.727 1.00 30.31 H new ATOM 0 HB2 ASN A 47 -10.826 12.199 11.680 1.00 31.12 H new ATOM 0 HB3 ASN A 47 -10.430 13.762 12.366 1.00 31.12 H new ATOM 0 HD21 ASN A 47 -10.787 13.400 8.251 1.00 33.51 H new ATOM 0 HD22 ASN A 47 -10.616 11.953 9.250 1.00 33.51 H new ATOM 722 N PRO A 48 -8.716 10.264 10.925 1.00 33.20 N ATOM 723 CA PRO A 48 -8.522 9.230 9.920 1.00 50.05 C ATOM 724 C PRO A 48 -9.387 9.548 8.701 1.00 64.53 C ATOM 725 O PRO A 48 -10.455 10.158 8.828 1.00 72.44 O ATOM 726 CB PRO A 48 -8.934 7.914 10.582 1.00 34.14 C ATOM 727 CG PRO A 48 -9.949 8.350 11.636 1.00 5.21 C ATOM 728 CD PRO A 48 -9.433 9.722 12.071 1.00 4.11 C ATOM 0 HA PRO A 48 -7.491 9.168 9.573 1.00 50.05 H new ATOM 0 HB2 PRO A 48 -9.373 7.223 9.863 1.00 34.14 H new ATOM 0 HB3 PRO A 48 -8.081 7.406 11.032 1.00 34.14 H new ATOM 0 HG2 PRO A 48 -10.956 8.411 11.224 1.00 5.21 H new ATOM 0 HG3 PRO A 48 -9.988 7.651 12.471 1.00 5.21 H new ATOM 0 HD2 PRO A 48 -10.257 10.375 12.360 1.00 4.11 H new ATOM 0 HD3 PRO A 48 -8.776 9.635 12.937 1.00 4.11 H new ATOM 736 N VAL A 49 -8.919 9.128 7.532 1.00 50.32 N ATOM 737 CA VAL A 49 -9.615 9.218 6.255 1.00 63.31 C ATOM 738 C VAL A 49 -9.398 7.885 5.537 1.00 51.03 C ATOM 739 O VAL A 49 -8.464 7.142 5.865 1.00 64.22 O ATOM 740 CB VAL A 49 -9.135 10.460 5.461 1.00 23.33 C ATOM 741 CG1 VAL A 49 -9.759 10.605 4.061 1.00 73.20 C ATOM 742 CG2 VAL A 49 -9.484 11.743 6.233 1.00 52.05 C ATOM 0 H VAL A 49 -8.000 8.695 7.445 1.00 50.32 H new ATOM 0 HA VAL A 49 -10.687 9.371 6.376 1.00 63.31 H new ATOM 0 HB VAL A 49 -8.061 10.315 5.341 1.00 23.33 H new ATOM 0 HG11 VAL A 49 -9.366 11.500 3.579 1.00 73.20 H new ATOM 0 HG12 VAL A 49 -9.511 9.730 3.460 1.00 73.20 H new ATOM 0 HG13 VAL A 49 -10.842 10.687 4.152 1.00 73.20 H new ATOM 0 HG21 VAL A 49 -9.144 12.611 5.669 1.00 52.05 H new ATOM 0 HG22 VAL A 49 -10.563 11.801 6.373 1.00 52.05 H new ATOM 0 HG23 VAL A 49 -8.993 11.727 7.206 1.00 52.05 H new ATOM 752 N LEU A 50 -10.247 7.608 4.548 1.00 22.41 N ATOM 753 CA LEU A 50 -10.376 6.352 3.834 1.00 31.21 C ATOM 754 C LEU A 50 -10.419 6.641 2.334 1.00 73.44 C ATOM 755 O LEU A 50 -11.044 7.613 1.904 1.00 50.12 O ATOM 756 CB LEU A 50 -11.684 5.714 4.314 1.00 5.25 C ATOM 757 CG LEU A 50 -12.031 4.403 3.620 1.00 53.21 C ATOM 758 CD1 LEU A 50 -11.035 3.300 3.983 1.00 1.34 C ATOM 759 CD2 LEU A 50 -13.445 4.070 4.062 1.00 33.44 C ATOM 0 H LEU A 50 -10.905 8.308 4.206 1.00 22.41 H new ATOM 0 HA LEU A 50 -9.540 5.678 4.020 1.00 31.21 H new ATOM 0 HB2 LEU A 50 -11.616 5.537 5.387 1.00 5.25 H new ATOM 0 HB3 LEU A 50 -12.499 6.421 4.158 1.00 5.25 H new ATOM 0 HG LEU A 50 -11.973 4.491 2.535 1.00 53.21 H new ATOM 0 HD11 LEU A 50 -11.311 2.378 3.471 1.00 1.34 H new ATOM 0 HD12 LEU A 50 -10.033 3.599 3.676 1.00 1.34 H new ATOM 0 HD13 LEU A 50 -11.051 3.136 5.060 1.00 1.34 H new ATOM 0 HD21 LEU A 50 -13.760 3.135 3.599 1.00 33.44 H new ATOM 0 HD22 LEU A 50 -13.472 3.965 5.147 1.00 33.44 H new ATOM 0 HD23 LEU A 50 -14.119 4.871 3.758 1.00 33.44 H new ATOM 771 N GLN A 51 -9.759 5.800 1.537 1.00 21.12 N ATOM 772 CA GLN A 51 -9.441 6.045 0.136 1.00 64.21 C ATOM 773 C GLN A 51 -10.084 4.925 -0.682 1.00 52.02 C ATOM 774 O GLN A 51 -9.460 3.894 -0.952 1.00 65.23 O ATOM 775 CB GLN A 51 -7.911 6.142 -0.104 1.00 1.14 C ATOM 776 CG GLN A 51 -7.085 6.844 0.988 1.00 41.34 C ATOM 777 CD GLN A 51 -7.008 6.021 2.274 1.00 52.44 C ATOM 778 OE1 GLN A 51 -7.119 4.798 2.254 1.00 22.52 O ATOM 779 NE2 GLN A 51 -6.956 6.683 3.411 1.00 44.05 N ATOM 0 H GLN A 51 -9.420 4.896 1.865 1.00 21.12 H new ATOM 0 HA GLN A 51 -9.841 7.010 -0.177 1.00 64.21 H new ATOM 0 HB2 GLN A 51 -7.521 5.132 -0.229 1.00 1.14 H new ATOM 0 HB3 GLN A 51 -7.746 6.666 -1.045 1.00 1.14 H new ATOM 0 HG2 GLN A 51 -6.077 7.029 0.616 1.00 41.34 H new ATOM 0 HG3 GLN A 51 -7.527 7.816 1.207 1.00 41.34 H new ATOM 0 HE21 GLN A 51 -6.864 7.699 3.406 1.00 44.05 H new ATOM 0 HE22 GLN A 51 -7.008 6.180 4.297 1.00 44.05 H new ATOM 788 N TYR A 52 -11.367 5.071 -1.000 1.00 1.34 N ATOM 789 CA TYR A 52 -12.091 4.124 -1.841 1.00 13.25 C ATOM 790 C TYR A 52 -11.913 4.484 -3.321 1.00 62.44 C ATOM 791 O TYR A 52 -11.218 5.449 -3.660 1.00 64.40 O ATOM 792 CB TYR A 52 -13.569 4.104 -1.437 1.00 52.44 C ATOM 793 CG TYR A 52 -14.293 5.413 -1.688 1.00 53.33 C ATOM 794 CD1 TYR A 52 -14.214 6.455 -0.751 1.00 3.34 C ATOM 795 CD2 TYR A 52 -15.023 5.598 -2.880 1.00 41.10 C ATOM 796 CE1 TYR A 52 -14.852 7.685 -0.999 1.00 30.13 C ATOM 797 CE2 TYR A 52 -15.663 6.821 -3.137 1.00 10.34 C ATOM 798 CZ TYR A 52 -15.569 7.877 -2.202 1.00 30.23 C ATOM 799 OH TYR A 52 -16.176 9.068 -2.458 1.00 21.31 O ATOM 0 H TYR A 52 -11.936 5.854 -0.679 1.00 1.34 H new ATOM 0 HA TYR A 52 -11.686 3.122 -1.697 1.00 13.25 H new ATOM 0 HB2 TYR A 52 -14.075 3.310 -1.986 1.00 52.44 H new ATOM 0 HB3 TYR A 52 -13.643 3.857 -0.378 1.00 52.44 H new ATOM 0 HD1 TYR A 52 -13.661 6.312 0.165 1.00 3.34 H new ATOM 0 HD2 TYR A 52 -15.090 4.795 -3.599 1.00 41.10 H new ATOM 0 HE1 TYR A 52 -14.794 8.481 -0.271 1.00 30.13 H new ATOM 0 HE2 TYR A 52 -16.227 6.955 -4.048 1.00 10.34 H new ATOM 0 HH TYR A 52 -16.623 9.027 -3.329 1.00 21.31 H new ATOM 809 N GLY A 53 -12.549 3.697 -4.193 1.00 1.45 N ATOM 810 CA GLY A 53 -12.680 3.963 -5.621 1.00 75.33 C ATOM 811 C GLY A 53 -11.378 3.782 -6.399 1.00 74.54 C ATOM 812 O GLY A 53 -11.324 4.099 -7.586 1.00 73.31 O ATOM 0 H GLY A 53 -13.001 2.828 -3.910 1.00 1.45 H new ATOM 0 HA2 GLY A 53 -13.438 3.299 -6.038 1.00 75.33 H new ATOM 0 HA3 GLY A 53 -13.038 4.983 -5.761 1.00 75.33 H new ATOM 816 N LYS A 54 -10.312 3.302 -5.755 1.00 74.20 N ATOM 817 CA LYS A 54 -8.939 3.354 -6.246 1.00 3.31 C ATOM 818 C LYS A 54 -8.391 1.960 -6.545 1.00 35.21 C ATOM 819 O LYS A 54 -7.220 1.839 -6.881 1.00 32.11 O ATOM 820 CB LYS A 54 -8.087 4.106 -5.194 1.00 24.42 C ATOM 821 CG LYS A 54 -7.272 5.283 -5.746 1.00 73.34 C ATOM 822 CD LYS A 54 -8.138 6.347 -6.442 1.00 52.13 C ATOM 823 CE LYS A 54 -7.397 7.690 -6.461 1.00 20.54 C ATOM 824 NZ LYS A 54 -7.585 8.418 -7.728 1.00 63.32 N ATOM 0 H LYS A 54 -10.387 2.850 -4.844 1.00 74.20 H new ATOM 0 HA LYS A 54 -8.902 3.889 -7.195 1.00 3.31 H new ATOM 0 HB2 LYS A 54 -8.748 4.476 -4.410 1.00 24.42 H new ATOM 0 HB3 LYS A 54 -7.404 3.397 -4.727 1.00 24.42 H new ATOM 0 HG2 LYS A 54 -6.721 5.750 -4.929 1.00 73.34 H new ATOM 0 HG3 LYS A 54 -6.534 4.905 -6.453 1.00 73.34 H new ATOM 0 HD2 LYS A 54 -8.367 6.033 -7.460 1.00 52.13 H new ATOM 0 HD3 LYS A 54 -9.089 6.453 -5.920 1.00 52.13 H new ATOM 0 HE2 LYS A 54 -7.749 8.308 -5.635 1.00 20.54 H new ATOM 0 HE3 LYS A 54 -6.333 7.517 -6.299 1.00 20.54 H new ATOM 0 HZ1 LYS A 54 -7.211 9.384 -7.632 1.00 63.32 H new ATOM 0 HZ2 LYS A 54 -7.078 7.925 -8.490 1.00 63.32 H new ATOM 0 HZ3 LYS A 54 -8.599 8.460 -7.957 1.00 63.32 H new ATOM 838 N LEU A 55 -9.193 0.904 -6.395 1.00 24.32 N ATOM 839 CA LEU A 55 -8.746 -0.486 -6.455 1.00 71.50 C ATOM 840 C LEU A 55 -8.159 -0.874 -7.810 1.00 12.13 C ATOM 841 O LEU A 55 -7.241 -1.689 -7.842 1.00 33.23 O ATOM 842 CB LEU A 55 -9.955 -1.366 -6.128 1.00 13.13 C ATOM 843 CG LEU A 55 -9.763 -2.719 -5.436 1.00 2.12 C ATOM 844 CD1 LEU A 55 -9.237 -3.798 -6.348 1.00 71.33 C ATOM 845 CD2 LEU A 55 -8.875 -2.680 -4.190 1.00 60.43 C ATOM 0 H LEU A 55 -10.194 0.995 -6.225 1.00 24.32 H new ATOM 0 HA LEU A 55 -7.938 -0.625 -5.736 1.00 71.50 H new ATOM 0 HB2 LEU A 55 -10.624 -0.775 -5.502 1.00 13.13 H new ATOM 0 HB3 LEU A 55 -10.479 -1.554 -7.065 1.00 13.13 H new ATOM 0 HG LEU A 55 -10.780 -2.963 -5.129 1.00 2.12 H new ATOM 0 HD11 LEU A 55 -9.127 -4.726 -5.788 1.00 71.33 H new ATOM 0 HD12 LEU A 55 -9.935 -3.951 -7.171 1.00 71.33 H new ATOM 0 HD13 LEU A 55 -8.268 -3.497 -6.746 1.00 71.33 H new ATOM 0 HD21 LEU A 55 -8.796 -3.682 -3.768 1.00 60.43 H new ATOM 0 HD22 LEU A 55 -7.882 -2.322 -4.462 1.00 60.43 H new ATOM 0 HD23 LEU A 55 -9.313 -2.008 -3.452 1.00 60.43 H new ATOM 857 N ASN A 56 -8.657 -0.312 -8.920 1.00 11.25 N ATOM 858 CA ASN A 56 -8.172 -0.675 -10.256 1.00 62.51 C ATOM 859 C ASN A 56 -6.736 -0.211 -10.506 1.00 62.41 C ATOM 860 O ASN A 56 -6.154 -0.589 -11.526 1.00 53.42 O ATOM 861 CB ASN A 56 -9.108 -0.183 -11.380 1.00 32.53 C ATOM 862 CG ASN A 56 -9.855 -1.345 -12.012 1.00 53.14 C ATOM 863 OD1 ASN A 56 -9.646 -1.690 -13.173 1.00 31.24 O ATOM 864 ND2 ASN A 56 -10.738 -1.968 -11.253 1.00 62.24 N ATOM 0 H ASN A 56 -9.393 0.394 -8.918 1.00 11.25 H new ATOM 0 HA ASN A 56 -8.174 -1.765 -10.280 1.00 62.51 H new ATOM 0 HB2 ASN A 56 -9.821 0.536 -10.976 1.00 32.53 H new ATOM 0 HB3 ASN A 56 -8.527 0.338 -12.141 1.00 32.53 H new ATOM 0 HD21 ASN A 56 -11.266 -2.756 -11.627 1.00 62.24 H new ATOM 0 HD22 ASN A 56 -10.892 -1.661 -10.293 1.00 62.24 H new ATOM 871 N VAL A 57 -6.157 0.592 -9.605 1.00 72.11 N ATOM 872 CA VAL A 57 -4.815 1.127 -9.739 1.00 53.42 C ATOM 873 C VAL A 57 -3.805 0.020 -10.004 1.00 20.53 C ATOM 874 O VAL A 57 -3.795 -1.021 -9.338 1.00 33.30 O ATOM 875 CB VAL A 57 -4.451 1.991 -8.514 1.00 73.14 C ATOM 876 CG1 VAL A 57 -4.288 1.207 -7.204 1.00 62.15 C ATOM 877 CG2 VAL A 57 -3.157 2.771 -8.767 1.00 62.41 C ATOM 0 H VAL A 57 -6.625 0.888 -8.749 1.00 72.11 H new ATOM 0 HA VAL A 57 -4.784 1.782 -10.610 1.00 53.42 H new ATOM 0 HB VAL A 57 -5.302 2.660 -8.388 1.00 73.14 H new ATOM 0 HG11 VAL A 57 -4.033 1.895 -6.398 1.00 62.15 H new ATOM 0 HG12 VAL A 57 -5.222 0.699 -6.965 1.00 62.15 H new ATOM 0 HG13 VAL A 57 -3.493 0.470 -7.318 1.00 62.15 H new ATOM 0 HG21 VAL A 57 -2.918 3.374 -7.891 1.00 62.41 H new ATOM 0 HG22 VAL A 57 -2.343 2.072 -8.960 1.00 62.41 H new ATOM 0 HG23 VAL A 57 -3.288 3.423 -9.631 1.00 62.41 H new ATOM 887 N GLY A 58 -2.920 0.282 -10.959 1.00 4.00 N ATOM 888 CA GLY A 58 -1.674 -0.429 -11.092 1.00 20.24 C ATOM 889 C GLY A 58 -0.515 0.461 -10.665 1.00 61.21 C ATOM 890 O GLY A 58 -0.596 1.690 -10.666 1.00 42.03 O ATOM 0 H GLY A 58 -3.058 1.004 -11.666 1.00 4.00 H new ATOM 0 HA2 GLY A 58 -1.694 -1.331 -10.481 1.00 20.24 H new ATOM 0 HA3 GLY A 58 -1.537 -0.747 -12.125 1.00 20.24 H new ATOM 894 N LEU A 59 0.604 -0.175 -10.342 1.00 41.42 N ATOM 895 CA LEU A 59 1.903 0.469 -10.236 1.00 62.45 C ATOM 896 C LEU A 59 2.276 1.019 -11.615 1.00 13.20 C ATOM 897 O LEU A 59 1.822 0.507 -12.640 1.00 32.52 O ATOM 898 CB LEU A 59 2.939 -0.570 -9.735 1.00 72.35 C ATOM 899 CG LEU A 59 3.810 -0.160 -8.536 1.00 14.23 C ATOM 900 CD1 LEU A 59 4.793 0.930 -8.929 1.00 73.54 C ATOM 901 CD2 LEU A 59 3.002 0.345 -7.340 1.00 34.40 C ATOM 0 H LEU A 59 0.632 -1.175 -10.142 1.00 41.42 H new ATOM 0 HA LEU A 59 1.883 1.294 -9.524 1.00 62.45 H new ATOM 0 HB2 LEU A 59 2.404 -1.482 -9.470 1.00 72.35 H new ATOM 0 HB3 LEU A 59 3.600 -0.818 -10.566 1.00 72.35 H new ATOM 0 HG LEU A 59 4.332 -1.069 -8.238 1.00 14.23 H new ATOM 0 HD11 LEU A 59 5.398 1.203 -8.064 1.00 73.54 H new ATOM 0 HD12 LEU A 59 5.442 0.565 -9.725 1.00 73.54 H new ATOM 0 HD13 LEU A 59 4.245 1.805 -9.280 1.00 73.54 H new ATOM 0 HD21 LEU A 59 3.680 0.616 -6.531 1.00 34.40 H new ATOM 0 HD22 LEU A 59 2.422 1.219 -7.636 1.00 34.40 H new ATOM 0 HD23 LEU A 59 2.327 -0.440 -6.999 1.00 34.40 H new ATOM 913 N VAL A 60 3.137 2.030 -11.634 1.00 43.42 N ATOM 914 CA VAL A 60 3.753 2.590 -12.833 1.00 42.05 C ATOM 915 C VAL A 60 5.272 2.569 -12.706 1.00 1.30 C ATOM 916 O VAL A 60 5.940 2.228 -13.682 1.00 2.32 O ATOM 917 CB VAL A 60 3.205 4.004 -13.147 1.00 22.44 C ATOM 918 CG1 VAL A 60 2.053 3.879 -14.143 1.00 21.31 C ATOM 919 CG2 VAL A 60 2.702 4.762 -11.915 1.00 3.30 C ATOM 0 H VAL A 60 3.438 2.501 -10.781 1.00 43.42 H new ATOM 0 HA VAL A 60 3.485 1.964 -13.685 1.00 42.05 H new ATOM 0 HB VAL A 60 4.039 4.576 -13.554 1.00 22.44 H new ATOM 0 HG11 VAL A 60 1.660 4.870 -14.371 1.00 21.31 H new ATOM 0 HG12 VAL A 60 2.414 3.412 -15.060 1.00 21.31 H new ATOM 0 HG13 VAL A 60 1.263 3.266 -13.710 1.00 21.31 H new ATOM 0 HG21 VAL A 60 2.334 5.743 -12.216 1.00 3.30 H new ATOM 0 HG22 VAL A 60 1.894 4.200 -11.447 1.00 3.30 H new ATOM 0 HG23 VAL A 60 3.519 4.884 -11.204 1.00 3.30 H new ATOM 929 N GLY A 61 5.813 2.851 -11.518 1.00 35.14 N ATOM 930 CA GLY A 61 7.251 2.895 -11.299 1.00 55.21 C ATOM 931 C GLY A 61 7.641 3.216 -9.867 1.00 73.31 C ATOM 932 O GLY A 61 6.795 3.481 -9.012 1.00 14.34 O ATOM 0 H GLY A 61 5.262 3.054 -10.684 1.00 35.14 H new ATOM 0 HA2 GLY A 61 7.681 1.933 -11.576 1.00 55.21 H new ATOM 0 HA3 GLY A 61 7.688 3.642 -11.961 1.00 55.21 H new ATOM 936 N VAL A 62 8.938 3.061 -9.625 1.00 31.10 N ATOM 937 CA VAL A 62 9.626 2.849 -8.382 1.00 71.32 C ATOM 938 C VAL A 62 11.124 3.084 -8.565 1.00 54.14 C ATOM 939 O VAL A 62 11.737 2.445 -9.426 1.00 55.35 O ATOM 940 CB VAL A 62 9.393 1.407 -7.918 1.00 1.33 C ATOM 941 CG1 VAL A 62 8.136 1.235 -7.070 1.00 61.42 C ATOM 942 CG2 VAL A 62 9.264 0.377 -9.047 1.00 71.13 C ATOM 0 H VAL A 62 9.602 3.086 -10.399 1.00 31.10 H new ATOM 0 HA VAL A 62 9.244 3.547 -7.637 1.00 71.32 H new ATOM 0 HB VAL A 62 10.298 1.220 -7.340 1.00 1.33 H new ATOM 0 HG11 VAL A 62 8.035 0.190 -6.777 1.00 61.42 H new ATOM 0 HG12 VAL A 62 8.211 1.856 -6.177 1.00 61.42 H new ATOM 0 HG13 VAL A 62 7.263 1.536 -7.649 1.00 61.42 H new ATOM 0 HG21 VAL A 62 9.101 -0.613 -8.620 1.00 71.13 H new ATOM 0 HG22 VAL A 62 8.420 0.640 -9.685 1.00 71.13 H new ATOM 0 HG23 VAL A 62 10.179 0.370 -9.640 1.00 71.13 H new ATOM 952 N GLU A 63 11.724 3.920 -7.716 1.00 75.11 N ATOM 953 CA GLU A 63 13.176 4.046 -7.585 1.00 54.02 C ATOM 954 C GLU A 63 13.582 4.327 -6.131 1.00 24.44 C ATOM 955 O GLU A 63 12.813 4.948 -5.394 1.00 61.42 O ATOM 956 CB GLU A 63 13.710 5.162 -8.495 1.00 35.32 C ATOM 957 CG GLU A 63 13.593 4.786 -9.975 1.00 55.12 C ATOM 958 CD GLU A 63 14.501 5.629 -10.854 1.00 20.12 C ATOM 959 OE1 GLU A 63 14.161 6.803 -11.105 1.00 2.13 O ATOM 960 OE2 GLU A 63 15.567 5.130 -11.288 1.00 44.45 O ATOM 0 H GLU A 63 11.207 4.538 -7.091 1.00 75.11 H new ATOM 0 HA GLU A 63 13.615 3.096 -7.891 1.00 54.02 H new ATOM 0 HB2 GLU A 63 13.156 6.082 -8.308 1.00 35.32 H new ATOM 0 HB3 GLU A 63 14.753 5.363 -8.251 1.00 35.32 H new ATOM 0 HG2 GLU A 63 13.843 3.733 -10.102 1.00 55.12 H new ATOM 0 HG3 GLU A 63 12.560 4.909 -10.299 1.00 55.12 H new ATOM 967 N PRO A 64 14.790 3.916 -5.703 1.00 12.40 N ATOM 968 CA PRO A 64 15.323 4.188 -4.377 1.00 23.12 C ATOM 969 C PRO A 64 15.542 5.694 -4.215 1.00 43.32 C ATOM 970 O PRO A 64 16.454 6.271 -4.811 1.00 44.11 O ATOM 971 CB PRO A 64 16.617 3.377 -4.270 1.00 60.34 C ATOM 972 CG PRO A 64 17.072 3.207 -5.718 1.00 32.32 C ATOM 973 CD PRO A 64 15.770 3.216 -6.515 1.00 31.14 C ATOM 0 HA PRO A 64 14.645 3.897 -3.575 1.00 23.12 H new ATOM 0 HB2 PRO A 64 17.367 3.899 -3.676 1.00 60.34 H new ATOM 0 HB3 PRO A 64 16.445 2.413 -3.791 1.00 60.34 H new ATOM 0 HG2 PRO A 64 17.735 4.016 -6.026 1.00 32.32 H new ATOM 0 HG3 PRO A 64 17.620 2.275 -5.858 1.00 32.32 H new ATOM 0 HD2 PRO A 64 15.906 3.716 -7.474 1.00 31.14 H new ATOM 0 HD3 PRO A 64 15.440 2.199 -6.729 1.00 31.14 H new ATOM 981 N ALA A 65 14.674 6.326 -3.426 1.00 15.24 N ATOM 982 CA ALA A 65 14.665 7.751 -3.134 1.00 43.02 C ATOM 983 C ALA A 65 15.864 8.147 -2.256 1.00 50.01 C ATOM 984 O ALA A 65 15.727 8.399 -1.052 1.00 33.53 O ATOM 985 CB ALA A 65 13.327 8.119 -2.481 1.00 11.31 C ATOM 0 H ALA A 65 13.921 5.828 -2.951 1.00 15.24 H new ATOM 0 HA ALA A 65 14.766 8.313 -4.062 1.00 43.02 H new ATOM 0 HB1 ALA A 65 13.312 9.186 -2.259 1.00 11.31 H new ATOM 0 HB2 ALA A 65 12.511 7.879 -3.163 1.00 11.31 H new ATOM 0 HB3 ALA A 65 13.206 7.554 -1.557 1.00 11.31 H new ATOM 991 N GLY A 66 17.039 8.262 -2.865 1.00 5.42 N ATOM 992 CA GLY A 66 18.269 8.639 -2.202 1.00 45.15 C ATOM 993 C GLY A 66 18.835 7.421 -1.501 1.00 53.24 C ATOM 994 O GLY A 66 19.306 6.489 -2.153 1.00 70.13 O ATOM 0 H GLY A 66 17.159 8.089 -3.863 1.00 5.42 H new ATOM 0 HA2 GLY A 66 18.986 9.025 -2.927 1.00 45.15 H new ATOM 0 HA3 GLY A 66 18.082 9.436 -1.483 1.00 45.15 H new ATOM 998 N GLN A 67 18.828 7.452 -0.170 1.00 54.35 N ATOM 999 CA GLN A 67 19.526 6.484 0.670 1.00 72.15 C ATOM 1000 C GLN A 67 18.666 6.100 1.876 1.00 32.44 C ATOM 1001 O GLN A 67 19.201 5.615 2.872 1.00 12.41 O ATOM 1002 CB GLN A 67 20.892 7.063 1.095 1.00 61.31 C ATOM 1003 CG GLN A 67 21.749 7.491 -0.108 1.00 41.04 C ATOM 1004 CD GLN A 67 23.125 8.017 0.285 1.00 52.32 C ATOM 1005 OE1 GLN A 67 24.155 7.551 -0.197 1.00 65.51 O ATOM 1006 NE2 GLN A 67 23.196 9.041 1.117 1.00 31.20 N ATOM 0 H GLN A 67 18.328 8.163 0.363 1.00 54.35 H new ATOM 0 HA GLN A 67 19.706 5.570 0.104 1.00 72.15 H new ATOM 0 HB2 GLN A 67 20.732 7.922 1.747 1.00 61.31 H new ATOM 0 HB3 GLN A 67 21.434 6.317 1.677 1.00 61.31 H new ATOM 0 HG2 GLN A 67 21.871 6.640 -0.778 1.00 41.04 H new ATOM 0 HG3 GLN A 67 21.219 8.263 -0.666 1.00 41.04 H new ATOM 0 HE21 GLN A 67 22.344 9.431 1.519 1.00 31.20 H new ATOM 0 HE22 GLN A 67 24.103 9.441 1.357 1.00 31.20 H new ATOM 1015 N TYR A 68 17.362 6.373 1.853 1.00 13.32 N ATOM 1016 CA TYR A 68 16.494 6.285 3.021 1.00 22.53 C ATOM 1017 C TYR A 68 15.023 5.977 2.716 1.00 23.21 C ATOM 1018 O TYR A 68 14.247 5.839 3.669 1.00 51.13 O ATOM 1019 CB TYR A 68 16.635 7.588 3.826 1.00 63.31 C ATOM 1020 CG TYR A 68 16.659 8.880 3.021 1.00 52.04 C ATOM 1021 CD1 TYR A 68 17.877 9.364 2.505 1.00 63.23 C ATOM 1022 CD2 TYR A 68 15.476 9.604 2.788 1.00 50.13 C ATOM 1023 CE1 TYR A 68 17.912 10.535 1.731 1.00 52.25 C ATOM 1024 CE2 TYR A 68 15.517 10.810 2.062 1.00 33.22 C ATOM 1025 CZ TYR A 68 16.735 11.286 1.533 1.00 71.25 C ATOM 1026 OH TYR A 68 16.762 12.473 0.862 1.00 72.12 O ATOM 0 H TYR A 68 16.873 6.666 1.007 1.00 13.32 H new ATOM 0 HA TYR A 68 16.826 5.424 3.602 1.00 22.53 H new ATOM 0 HB2 TYR A 68 15.809 7.643 4.536 1.00 63.31 H new ATOM 0 HB3 TYR A 68 17.554 7.532 4.410 1.00 63.31 H new ATOM 0 HD1 TYR A 68 18.793 8.829 2.707 1.00 63.23 H new ATOM 0 HD2 TYR A 68 14.534 9.234 3.167 1.00 50.13 H new ATOM 0 HE1 TYR A 68 18.841 10.861 1.287 1.00 52.25 H new ATOM 0 HE2 TYR A 68 14.609 11.375 1.909 1.00 33.22 H new ATOM 0 HH TYR A 68 15.857 12.847 0.823 1.00 72.12 H new ATOM 1036 N ALA A 69 14.601 5.882 1.453 1.00 44.34 N ATOM 1037 CA ALA A 69 13.205 5.652 1.086 1.00 44.25 C ATOM 1038 C ALA A 69 13.097 5.053 -0.324 1.00 23.50 C ATOM 1039 O ALA A 69 14.102 4.896 -1.019 1.00 1.03 O ATOM 1040 CB ALA A 69 12.444 6.988 1.211 1.00 72.13 C ATOM 0 H ALA A 69 15.225 5.964 0.651 1.00 44.34 H new ATOM 0 HA ALA A 69 12.755 4.923 1.760 1.00 44.25 H new ATOM 0 HB1 ALA A 69 11.399 6.838 0.941 1.00 72.13 H new ATOM 0 HB2 ALA A 69 12.506 7.347 2.238 1.00 72.13 H new ATOM 0 HB3 ALA A 69 12.889 7.724 0.542 1.00 72.13 H new ATOM 1046 N LEU A 70 11.882 4.755 -0.787 1.00 61.33 N ATOM 1047 CA LEU A 70 11.614 4.310 -2.156 1.00 23.53 C ATOM 1048 C LEU A 70 10.488 5.180 -2.711 1.00 2.21 C ATOM 1049 O LEU A 70 9.400 5.222 -2.135 1.00 74.53 O ATOM 1050 CB LEU A 70 11.288 2.803 -2.166 1.00 14.03 C ATOM 1051 CG LEU A 70 11.642 2.107 -3.491 1.00 53.15 C ATOM 1052 CD1 LEU A 70 11.495 0.590 -3.349 1.00 34.40 C ATOM 1053 CD2 LEU A 70 10.749 2.555 -4.648 1.00 40.44 C ATOM 0 H LEU A 70 11.042 4.817 -0.212 1.00 61.33 H new ATOM 0 HA LEU A 70 12.486 4.428 -2.799 1.00 23.53 H new ATOM 0 HB2 LEU A 70 11.829 2.317 -1.354 1.00 14.03 H new ATOM 0 HB3 LEU A 70 10.225 2.668 -1.967 1.00 14.03 H new ATOM 0 HG LEU A 70 12.672 2.385 -3.714 1.00 53.15 H new ATOM 0 HD11 LEU A 70 11.749 0.110 -4.294 1.00 34.40 H new ATOM 0 HD12 LEU A 70 12.165 0.231 -2.568 1.00 34.40 H new ATOM 0 HD13 LEU A 70 10.466 0.347 -3.083 1.00 34.40 H new ATOM 0 HD21 LEU A 70 11.043 2.032 -5.558 1.00 40.44 H new ATOM 0 HD22 LEU A 70 9.709 2.323 -4.416 1.00 40.44 H new ATOM 0 HD23 LEU A 70 10.857 3.630 -4.796 1.00 40.44 H new ATOM 1065 N LYS A 71 10.755 5.930 -3.785 1.00 41.43 N ATOM 1066 CA LYS A 71 9.760 6.766 -4.438 1.00 34.52 C ATOM 1067 C LYS A 71 8.845 5.882 -5.277 1.00 62.21 C ATOM 1068 O LYS A 71 9.162 5.525 -6.414 1.00 4.04 O ATOM 1069 CB LYS A 71 10.400 7.879 -5.287 1.00 21.23 C ATOM 1070 CG LYS A 71 9.428 9.070 -5.315 1.00 42.35 C ATOM 1071 CD LYS A 71 9.648 9.976 -4.091 1.00 25.51 C ATOM 1072 CE LYS A 71 8.484 10.934 -3.802 1.00 72.14 C ATOM 1073 NZ LYS A 71 8.430 12.102 -4.707 1.00 25.11 N ATOM 0 H LYS A 71 11.675 5.970 -4.223 1.00 41.43 H new ATOM 0 HA LYS A 71 9.174 7.273 -3.671 1.00 34.52 H new ATOM 0 HB2 LYS A 71 11.359 8.179 -4.863 1.00 21.23 H new ATOM 0 HB3 LYS A 71 10.596 7.523 -6.298 1.00 21.23 H new ATOM 0 HG2 LYS A 71 9.574 9.644 -6.230 1.00 42.35 H new ATOM 0 HG3 LYS A 71 8.400 8.708 -5.326 1.00 42.35 H new ATOM 0 HD2 LYS A 71 9.815 9.350 -3.215 1.00 25.51 H new ATOM 0 HD3 LYS A 71 10.556 10.560 -4.243 1.00 25.51 H new ATOM 0 HE2 LYS A 71 7.546 10.384 -3.879 1.00 72.14 H new ATOM 0 HE3 LYS A 71 8.564 11.287 -2.774 1.00 72.14 H new ATOM 0 HZ1 LYS A 71 7.821 12.836 -4.291 1.00 25.11 H new ATOM 0 HZ2 LYS A 71 9.389 12.482 -4.840 1.00 25.11 H new ATOM 0 HZ3 LYS A 71 8.042 11.811 -5.627 1.00 25.11 H new ATOM 1087 N LEU A 72 7.727 5.488 -4.684 1.00 42.31 N ATOM 1088 CA LEU A 72 6.671 4.734 -5.351 1.00 51.25 C ATOM 1089 C LEU A 72 5.848 5.675 -6.224 1.00 32.40 C ATOM 1090 O LEU A 72 5.782 6.872 -5.941 1.00 34.14 O ATOM 1091 CB LEU A 72 5.773 4.063 -4.294 1.00 52.11 C ATOM 1092 CG LEU A 72 6.344 2.699 -3.869 1.00 14.41 C ATOM 1093 CD1 LEU A 72 6.074 2.390 -2.399 1.00 62.22 C ATOM 1094 CD2 LEU A 72 5.763 1.588 -4.748 1.00 75.45 C ATOM 0 H LEU A 72 7.523 5.687 -3.705 1.00 42.31 H new ATOM 0 HA LEU A 72 7.112 3.962 -5.982 1.00 51.25 H new ATOM 0 HB2 LEU A 72 5.685 4.712 -3.422 1.00 52.11 H new ATOM 0 HB3 LEU A 72 4.769 3.931 -4.696 1.00 52.11 H new ATOM 0 HG LEU A 72 7.425 2.747 -4.001 1.00 14.41 H new ATOM 0 HD11 LEU A 72 6.496 1.417 -2.148 1.00 62.22 H new ATOM 0 HD12 LEU A 72 6.534 3.157 -1.776 1.00 62.22 H new ATOM 0 HD13 LEU A 72 4.999 2.375 -2.222 1.00 62.22 H new ATOM 0 HD21 LEU A 72 6.174 0.627 -4.439 1.00 75.45 H new ATOM 0 HD22 LEU A 72 4.678 1.570 -4.642 1.00 75.45 H new ATOM 0 HD23 LEU A 72 6.023 1.775 -5.790 1.00 75.45 H new ATOM 1106 N SER A 73 5.166 5.125 -7.223 1.00 20.33 N ATOM 1107 CA SER A 73 4.211 5.825 -8.063 1.00 2.02 C ATOM 1108 C SER A 73 3.064 4.862 -8.378 1.00 64.52 C ATOM 1109 O SER A 73 3.314 3.685 -8.646 1.00 22.34 O ATOM 1110 CB SER A 73 4.905 6.257 -9.356 1.00 24.31 C ATOM 1111 OG SER A 73 6.125 6.951 -9.167 1.00 0.41 O ATOM 0 H SER A 73 5.270 4.142 -7.476 1.00 20.33 H new ATOM 0 HA SER A 73 3.824 6.710 -7.558 1.00 2.02 H new ATOM 0 HB2 SER A 73 5.096 5.372 -9.963 1.00 24.31 H new ATOM 0 HB3 SER A 73 4.225 6.892 -9.923 1.00 24.31 H new ATOM 0 HG SER A 73 6.504 7.190 -10.039 1.00 0.41 H new ATOM 1117 N PHE A 74 1.819 5.325 -8.386 1.00 72.31 N ATOM 1118 CA PHE A 74 0.627 4.500 -8.537 1.00 61.41 C ATOM 1119 C PHE A 74 -0.286 5.209 -9.525 1.00 72.11 C ATOM 1120 O PHE A 74 -0.656 6.358 -9.297 1.00 40.41 O ATOM 1121 CB PHE A 74 -0.075 4.277 -7.187 1.00 31.44 C ATOM 1122 CG PHE A 74 0.824 3.914 -6.020 1.00 62.52 C ATOM 1123 CD1 PHE A 74 1.417 4.922 -5.236 1.00 1.20 C ATOM 1124 CD2 PHE A 74 1.064 2.565 -5.707 1.00 53.44 C ATOM 1125 CE1 PHE A 74 2.202 4.580 -4.122 1.00 51.04 C ATOM 1126 CE2 PHE A 74 1.843 2.227 -4.593 1.00 35.54 C ATOM 1127 CZ PHE A 74 2.390 3.233 -3.782 1.00 75.43 C ATOM 0 H PHE A 74 1.605 6.317 -8.284 1.00 72.31 H new ATOM 0 HA PHE A 74 0.894 3.510 -8.907 1.00 61.41 H new ATOM 0 HB2 PHE A 74 -0.621 5.185 -6.930 1.00 31.44 H new ATOM 0 HB3 PHE A 74 -0.813 3.485 -7.311 1.00 31.44 H new ATOM 0 HD1 PHE A 74 1.268 5.961 -5.492 1.00 1.20 H new ATOM 0 HD2 PHE A 74 0.646 1.786 -6.328 1.00 53.44 H new ATOM 0 HE1 PHE A 74 2.661 5.356 -3.527 1.00 51.04 H new ATOM 0 HE2 PHE A 74 2.023 1.189 -4.357 1.00 35.54 H new ATOM 0 HZ PHE A 74 2.954 2.971 -2.899 1.00 75.43 H new ATOM 1137 N ASP A 75 -0.639 4.529 -10.612 1.00 13.12 N ATOM 1138 CA ASP A 75 -1.238 5.119 -11.814 1.00 13.34 C ATOM 1139 C ASP A 75 -2.544 5.865 -11.583 1.00 61.24 C ATOM 1140 O ASP A 75 -2.909 6.727 -12.383 1.00 64.42 O ATOM 1141 CB ASP A 75 -1.468 4.018 -12.853 1.00 73.55 C ATOM 1142 CG ASP A 75 -2.257 4.494 -14.073 1.00 44.13 C ATOM 1143 OD1 ASP A 75 -1.792 5.419 -14.779 1.00 23.53 O ATOM 1144 OD2 ASP A 75 -3.377 3.987 -14.297 1.00 73.12 O ATOM 0 H ASP A 75 -0.514 3.520 -10.687 1.00 13.12 H new ATOM 0 HA ASP A 75 -0.526 5.868 -12.161 1.00 13.34 H new ATOM 0 HB2 ASP A 75 -0.504 3.630 -13.181 1.00 73.55 H new ATOM 0 HB3 ASP A 75 -2.001 3.191 -12.384 1.00 73.55 H new ATOM 1149 N ASP A 76 -3.246 5.575 -10.498 1.00 43.42 N ATOM 1150 CA ASP A 76 -4.447 6.295 -10.124 1.00 52.41 C ATOM 1151 C ASP A 76 -4.223 6.943 -8.771 1.00 53.23 C ATOM 1152 O ASP A 76 -4.934 6.676 -7.803 1.00 24.34 O ATOM 1153 CB ASP A 76 -5.690 5.399 -10.207 1.00 41.03 C ATOM 1154 CG ASP A 76 -6.974 6.227 -10.195 1.00 41.34 C ATOM 1155 OD1 ASP A 76 -6.917 7.476 -10.260 1.00 12.30 O ATOM 1156 OD2 ASP A 76 -8.080 5.648 -10.113 1.00 22.34 O ATOM 0 H ASP A 76 -2.994 4.828 -9.850 1.00 43.42 H new ATOM 0 HA ASP A 76 -4.651 7.096 -10.835 1.00 52.41 H new ATOM 0 HB2 ASP A 76 -5.649 4.801 -11.117 1.00 41.03 H new ATOM 0 HB3 ASP A 76 -5.696 4.703 -9.368 1.00 41.03 H new ATOM 1161 N GLY A 77 -3.191 7.783 -8.695 1.00 31.40 N ATOM 1162 CA GLY A 77 -2.988 8.633 -7.537 1.00 54.24 C ATOM 1163 C GLY A 77 -2.101 9.835 -7.829 1.00 11.43 C ATOM 1164 O GLY A 77 -1.524 9.961 -8.904 1.00 12.14 O ATOM 0 H GLY A 77 -2.486 7.888 -9.425 1.00 31.40 H new ATOM 0 HA2 GLY A 77 -3.955 8.982 -7.175 1.00 54.24 H new ATOM 0 HA3 GLY A 77 -2.541 8.045 -6.735 1.00 54.24 H new ATOM 1168 N HIS A 78 -1.990 10.713 -6.832 1.00 55.41 N ATOM 1169 CA HIS A 78 -1.197 11.942 -6.861 1.00 44.15 C ATOM 1170 C HIS A 78 0.323 11.710 -6.743 1.00 42.33 C ATOM 1171 O HIS A 78 1.071 12.691 -6.698 1.00 32.52 O ATOM 1172 CB HIS A 78 -1.708 12.910 -5.767 1.00 51.25 C ATOM 1173 CG HIS A 78 -1.481 12.502 -4.323 1.00 34.30 C ATOM 1174 ND1 HIS A 78 -1.466 13.336 -3.219 1.00 3.20 N ATOM 1175 CD2 HIS A 78 -1.336 11.226 -3.858 1.00 42.01 C ATOM 1176 CE1 HIS A 78 -1.284 12.575 -2.123 1.00 2.03 C ATOM 1177 NE2 HIS A 78 -1.263 11.278 -2.468 1.00 12.22 N ATOM 0 H HIS A 78 -2.472 10.581 -5.943 1.00 55.41 H new ATOM 0 HA HIS A 78 -1.336 12.389 -7.845 1.00 44.15 H new ATOM 0 HB2 HIS A 78 -1.233 13.879 -5.924 1.00 51.25 H new ATOM 0 HB3 HIS A 78 -2.779 13.052 -5.914 1.00 51.25 H new ATOM 0 HD1 HIS A 78 -1.574 14.350 -3.233 1.00 3.20 H new ATOM 0 HD2 HIS A 78 -1.287 10.332 -4.463 1.00 42.01 H new ATOM 0 HE1 HIS A 78 -1.172 12.952 -1.117 1.00 2.03 H new ATOM 1185 N ASP A 79 0.812 10.465 -6.665 1.00 61.32 N ATOM 1186 CA ASP A 79 2.228 10.119 -6.423 1.00 44.35 C ATOM 1187 C ASP A 79 2.788 10.939 -5.241 1.00 63.12 C ATOM 1188 O ASP A 79 2.030 11.281 -4.327 1.00 53.11 O ATOM 1189 CB ASP A 79 3.076 10.150 -7.722 1.00 0.21 C ATOM 1190 CG ASP A 79 2.748 9.055 -8.729 1.00 22.23 C ATOM 1191 OD1 ASP A 79 2.038 8.095 -8.339 1.00 4.34 O ATOM 1192 OD2 ASP A 79 3.277 9.108 -9.862 1.00 20.41 O ATOM 0 H ASP A 79 0.219 9.642 -6.771 1.00 61.32 H new ATOM 0 HA ASP A 79 2.293 9.077 -6.111 1.00 44.35 H new ATOM 0 HB2 ASP A 79 2.941 11.118 -8.204 1.00 0.21 H new ATOM 0 HB3 ASP A 79 4.129 10.072 -7.453 1.00 0.21 H new ATOM 1197 N SER A 80 4.100 11.183 -5.185 1.00 52.11 N ATOM 1198 CA SER A 80 4.743 12.094 -4.237 1.00 32.44 C ATOM 1199 C SER A 80 4.413 11.765 -2.765 1.00 54.12 C ATOM 1200 O SER A 80 4.160 12.647 -1.936 1.00 64.53 O ATOM 1201 CB SER A 80 4.469 13.547 -4.675 1.00 10.42 C ATOM 1202 OG SER A 80 5.668 14.299 -4.776 1.00 54.44 O ATOM 0 H SER A 80 4.764 10.738 -5.818 1.00 52.11 H new ATOM 0 HA SER A 80 5.824 11.955 -4.265 1.00 32.44 H new ATOM 0 HB2 SER A 80 3.957 13.547 -5.637 1.00 10.42 H new ATOM 0 HB3 SER A 80 3.800 14.023 -3.958 1.00 10.42 H new ATOM 0 HG SER A 80 5.458 15.214 -5.057 1.00 54.44 H new ATOM 1208 N GLY A 81 4.442 10.473 -2.439 1.00 62.44 N ATOM 1209 CA GLY A 81 4.397 9.902 -1.104 1.00 41.12 C ATOM 1210 C GLY A 81 5.771 9.335 -0.767 1.00 71.31 C ATOM 1211 O GLY A 81 6.232 8.389 -1.414 1.00 71.54 O ATOM 0 H GLY A 81 4.502 9.751 -3.157 1.00 62.44 H new ATOM 0 HA2 GLY A 81 4.114 10.663 -0.377 1.00 41.12 H new ATOM 0 HA3 GLY A 81 3.642 9.117 -1.054 1.00 41.12 H new ATOM 1215 N LEU A 82 6.422 9.930 0.230 1.00 21.23 N ATOM 1216 CA LEU A 82 7.628 9.417 0.872 1.00 25.11 C ATOM 1217 C LEU A 82 7.310 8.049 1.499 1.00 42.45 C ATOM 1218 O LEU A 82 6.214 7.874 2.033 1.00 42.04 O ATOM 1219 CB LEU A 82 8.034 10.438 1.956 1.00 51.21 C ATOM 1220 CG LEU A 82 9.537 10.643 2.169 1.00 44.21 C ATOM 1221 CD1 LEU A 82 9.744 11.880 3.046 1.00 24.10 C ATOM 1222 CD2 LEU A 82 10.219 9.450 2.836 1.00 5.24 C ATOM 0 H LEU A 82 6.111 10.817 0.627 1.00 21.23 H new ATOM 0 HA LEU A 82 8.444 9.286 0.162 1.00 25.11 H new ATOM 0 HB2 LEU A 82 7.590 11.401 1.702 1.00 51.21 H new ATOM 0 HB3 LEU A 82 7.594 10.124 2.903 1.00 51.21 H new ATOM 0 HG LEU A 82 9.989 10.764 1.184 1.00 44.21 H new ATOM 0 HD11 LEU A 82 10.811 12.038 3.206 1.00 24.10 H new ATOM 0 HD12 LEU A 82 9.318 12.753 2.551 1.00 24.10 H new ATOM 0 HD13 LEU A 82 9.251 11.731 4.007 1.00 24.10 H new ATOM 0 HD21 LEU A 82 11.282 9.660 2.958 1.00 5.24 H new ATOM 0 HD22 LEU A 82 9.770 9.274 3.813 1.00 5.24 H new ATOM 0 HD23 LEU A 82 10.093 8.564 2.214 1.00 5.24 H new ATOM 1234 N PHE A 83 8.255 7.106 1.491 1.00 21.23 N ATOM 1235 CA PHE A 83 8.124 5.810 2.152 1.00 2.00 C ATOM 1236 C PHE A 83 9.495 5.320 2.618 1.00 32.12 C ATOM 1237 O PHE A 83 10.311 4.917 1.788 1.00 2.23 O ATOM 1238 CB PHE A 83 7.528 4.793 1.177 1.00 30.33 C ATOM 1239 CG PHE A 83 6.035 4.892 0.986 1.00 10.22 C ATOM 1240 CD1 PHE A 83 5.183 4.455 2.013 1.00 22.53 C ATOM 1241 CD2 PHE A 83 5.494 5.361 -0.223 1.00 25.32 C ATOM 1242 CE1 PHE A 83 3.794 4.450 1.823 1.00 61.33 C ATOM 1243 CE2 PHE A 83 4.103 5.367 -0.408 1.00 41.11 C ATOM 1244 CZ PHE A 83 3.254 4.909 0.614 1.00 1.13 C ATOM 0 H PHE A 83 9.149 7.226 1.015 1.00 21.23 H new ATOM 0 HA PHE A 83 7.467 5.918 3.015 1.00 2.00 H new ATOM 0 HB2 PHE A 83 8.012 4.915 0.208 1.00 30.33 H new ATOM 0 HB3 PHE A 83 7.768 3.790 1.530 1.00 30.33 H new ATOM 0 HD1 PHE A 83 5.599 4.122 2.952 1.00 22.53 H new ATOM 0 HD2 PHE A 83 6.146 5.716 -1.007 1.00 25.32 H new ATOM 0 HE1 PHE A 83 3.142 4.093 2.606 1.00 61.33 H new ATOM 0 HE2 PHE A 83 3.684 5.724 -1.337 1.00 41.11 H new ATOM 0 HZ PHE A 83 2.184 4.911 0.467 1.00 1.13 H new ATOM 1254 N THR A 84 9.781 5.389 3.918 1.00 74.42 N ATOM 1255 CA THR A 84 11.063 4.966 4.481 1.00 51.15 C ATOM 1256 C THR A 84 11.211 3.431 4.462 1.00 61.51 C ATOM 1257 O THR A 84 10.219 2.704 4.490 1.00 31.33 O ATOM 1258 CB THR A 84 11.174 5.520 5.911 1.00 70.23 C ATOM 1259 OG1 THR A 84 10.730 6.862 5.976 1.00 33.33 O ATOM 1260 CG2 THR A 84 12.604 5.545 6.442 1.00 62.13 C ATOM 0 H THR A 84 9.125 5.742 4.615 1.00 74.42 H new ATOM 0 HA THR A 84 11.874 5.362 3.871 1.00 51.15 H new ATOM 0 HB THR A 84 10.560 4.846 6.508 1.00 70.23 H new ATOM 0 HG1 THR A 84 10.810 7.189 6.896 1.00 33.33 H new ATOM 0 HG21 THR A 84 12.609 5.947 7.455 1.00 62.13 H new ATOM 0 HG22 THR A 84 13.006 4.532 6.452 1.00 62.13 H new ATOM 0 HG23 THR A 84 13.220 6.174 5.799 1.00 62.13 H new ATOM 1268 N TRP A 85 12.455 2.935 4.463 1.00 34.22 N ATOM 1269 CA TRP A 85 12.799 1.516 4.391 1.00 34.33 C ATOM 1270 C TRP A 85 12.151 0.640 5.470 1.00 24.53 C ATOM 1271 O TRP A 85 11.648 -0.440 5.155 1.00 45.41 O ATOM 1272 CB TRP A 85 14.328 1.361 4.424 1.00 33.41 C ATOM 1273 CG TRP A 85 15.052 1.794 3.185 1.00 43.04 C ATOM 1274 CD1 TRP A 85 16.153 2.578 3.128 1.00 11.01 C ATOM 1275 CD2 TRP A 85 14.771 1.408 1.807 1.00 42.43 C ATOM 1276 NE1 TRP A 85 16.548 2.734 1.813 1.00 30.13 N ATOM 1277 CE2 TRP A 85 15.723 2.036 0.949 1.00 41.11 C ATOM 1278 CE3 TRP A 85 13.813 0.566 1.204 1.00 50.45 C ATOM 1279 CZ2 TRP A 85 15.698 1.846 -0.445 1.00 0.14 C ATOM 1280 CZ3 TRP A 85 13.780 0.377 -0.185 1.00 51.05 C ATOM 1281 CH2 TRP A 85 14.724 1.008 -1.010 1.00 62.31 C ATOM 0 H TRP A 85 13.277 3.536 4.516 1.00 34.22 H new ATOM 0 HA TRP A 85 12.389 1.153 3.449 1.00 34.33 H new ATOM 0 HB2 TRP A 85 14.715 1.933 5.267 1.00 33.41 H new ATOM 0 HB3 TRP A 85 14.565 0.314 4.614 1.00 33.41 H new ATOM 0 HD1 TRP A 85 16.649 3.016 3.982 1.00 11.01 H new ATOM 0 HE1 TRP A 85 17.348 3.294 1.516 1.00 30.13 H new ATOM 0 HE3 TRP A 85 13.091 0.057 1.825 1.00 50.45 H new ATOM 0 HZ2 TRP A 85 16.422 2.341 -1.075 1.00 0.14 H new ATOM 0 HZ3 TRP A 85 13.024 -0.258 -0.623 1.00 51.05 H new ATOM 0 HH2 TRP A 85 14.701 0.849 -2.078 1.00 62.31 H new ATOM 1292 N ASP A 86 12.172 1.079 6.730 1.00 4.43 N ATOM 1293 CA ASP A 86 11.487 0.415 7.842 1.00 64.55 C ATOM 1294 C ASP A 86 10.001 0.316 7.549 1.00 31.50 C ATOM 1295 O ASP A 86 9.440 -0.778 7.577 1.00 65.43 O ATOM 1296 CB ASP A 86 11.728 1.132 9.184 1.00 54.32 C ATOM 1297 CG ASP A 86 11.224 2.576 9.254 1.00 1.42 C ATOM 1298 OD1 ASP A 86 11.550 3.340 8.316 1.00 2.41 O ATOM 1299 OD2 ASP A 86 10.621 2.963 10.277 1.00 5.32 O ATOM 0 H ASP A 86 12.674 1.921 7.012 1.00 4.43 H new ATOM 0 HA ASP A 86 11.904 -0.588 7.937 1.00 64.55 H new ATOM 0 HB2 ASP A 86 11.246 0.558 9.976 1.00 54.32 H new ATOM 0 HB3 ASP A 86 12.798 1.127 9.393 1.00 54.32 H new ATOM 1304 N TYR A 87 9.371 1.444 7.228 1.00 30.12 N ATOM 1305 CA TYR A 87 7.942 1.505 6.996 1.00 72.41 C ATOM 1306 C TYR A 87 7.532 0.599 5.827 1.00 31.43 C ATOM 1307 O TYR A 87 6.464 -0.015 5.862 1.00 53.02 O ATOM 1308 CB TYR A 87 7.534 2.972 6.787 1.00 12.21 C ATOM 1309 CG TYR A 87 6.052 3.229 6.580 1.00 32.14 C ATOM 1310 CD1 TYR A 87 5.083 2.413 7.199 1.00 31.11 C ATOM 1311 CD2 TYR A 87 5.637 4.296 5.757 1.00 65.21 C ATOM 1312 CE1 TYR A 87 3.721 2.639 6.974 1.00 43.32 C ATOM 1313 CE2 TYR A 87 4.273 4.543 5.540 1.00 54.32 C ATOM 1314 CZ TYR A 87 3.317 3.702 6.143 1.00 22.14 C ATOM 1315 OH TYR A 87 2.004 3.877 5.893 1.00 3.23 O ATOM 0 H TYR A 87 9.845 2.341 7.123 1.00 30.12 H new ATOM 0 HA TYR A 87 7.407 1.125 7.866 1.00 72.41 H new ATOM 0 HB2 TYR A 87 7.865 3.547 7.652 1.00 12.21 H new ATOM 0 HB3 TYR A 87 8.074 3.359 5.922 1.00 12.21 H new ATOM 0 HD1 TYR A 87 5.394 1.609 7.850 1.00 31.11 H new ATOM 0 HD2 TYR A 87 6.376 4.929 5.289 1.00 65.21 H new ATOM 0 HE1 TYR A 87 2.982 2.001 7.436 1.00 43.32 H new ATOM 0 HE2 TYR A 87 3.960 5.368 4.918 1.00 54.32 H new ATOM 0 HH TYR A 87 1.547 3.010 5.920 1.00 3.23 H new ATOM 1325 N LEU A 88 8.351 0.491 4.781 1.00 65.13 N ATOM 1326 CA LEU A 88 8.067 -0.371 3.637 1.00 2.21 C ATOM 1327 C LEU A 88 8.045 -1.835 4.066 1.00 72.44 C ATOM 1328 O LEU A 88 7.065 -2.541 3.813 1.00 3.02 O ATOM 1329 CB LEU A 88 9.094 -0.131 2.519 1.00 41.13 C ATOM 1330 CG LEU A 88 8.848 1.194 1.778 1.00 41.22 C ATOM 1331 CD1 LEU A 88 10.030 1.518 0.863 1.00 1.33 C ATOM 1332 CD2 LEU A 88 7.535 1.154 0.980 1.00 53.25 C ATOM 0 H LEU A 88 9.231 1.000 4.704 1.00 65.13 H new ATOM 0 HA LEU A 88 7.081 -0.123 3.245 1.00 2.21 H new ATOM 0 HB2 LEU A 88 10.097 -0.126 2.945 1.00 41.13 H new ATOM 0 HB3 LEU A 88 9.054 -0.956 1.808 1.00 41.13 H new ATOM 0 HG LEU A 88 8.756 1.985 2.522 1.00 41.22 H new ATOM 0 HD11 LEU A 88 9.842 2.458 0.345 1.00 1.33 H new ATOM 0 HD12 LEU A 88 10.938 1.607 1.459 1.00 1.33 H new ATOM 0 HD13 LEU A 88 10.154 0.719 0.132 1.00 1.33 H new ATOM 0 HD21 LEU A 88 7.391 2.106 0.468 1.00 53.25 H new ATOM 0 HD22 LEU A 88 7.580 0.350 0.245 1.00 53.25 H new ATOM 0 HD23 LEU A 88 6.701 0.978 1.660 1.00 53.25 H new ATOM 1344 N TYR A 89 9.116 -2.305 4.695 1.00 5.23 N ATOM 1345 CA TYR A 89 9.253 -3.695 5.106 1.00 31.31 C ATOM 1346 C TYR A 89 8.331 -4.084 6.256 1.00 32.21 C ATOM 1347 O TYR A 89 7.984 -5.257 6.361 1.00 30.51 O ATOM 1348 CB TYR A 89 10.715 -3.960 5.427 1.00 52.31 C ATOM 1349 CG TYR A 89 11.450 -4.628 4.281 1.00 23.10 C ATOM 1350 CD1 TYR A 89 10.993 -5.836 3.711 1.00 1.22 C ATOM 1351 CD2 TYR A 89 12.616 -4.034 3.779 1.00 22.22 C ATOM 1352 CE1 TYR A 89 11.760 -6.477 2.737 1.00 15.01 C ATOM 1353 CE2 TYR A 89 13.419 -4.711 2.850 1.00 52.45 C ATOM 1354 CZ TYR A 89 13.008 -5.964 2.351 1.00 0.12 C ATOM 1355 OH TYR A 89 13.810 -6.687 1.533 1.00 64.21 O ATOM 0 H TYR A 89 9.920 -1.726 4.936 1.00 5.23 H new ATOM 0 HA TYR A 89 8.935 -4.330 4.279 1.00 31.31 H new ATOM 0 HB2 TYR A 89 11.207 -3.018 5.670 1.00 52.31 H new ATOM 0 HB3 TYR A 89 10.780 -4.591 6.313 1.00 52.31 H new ATOM 0 HD1 TYR A 89 10.053 -6.263 4.028 1.00 1.22 H new ATOM 0 HD2 TYR A 89 12.899 -3.046 4.111 1.00 22.22 H new ATOM 0 HE1 TYR A 89 11.388 -7.379 2.274 1.00 15.01 H new ATOM 0 HE2 TYR A 89 14.349 -4.274 2.518 1.00 52.45 H new ATOM 0 HH TYR A 89 13.713 -7.640 1.739 1.00 64.21 H new ATOM 1365 N GLU A 90 7.891 -3.134 7.075 1.00 30.14 N ATOM 1366 CA GLU A 90 6.820 -3.350 8.032 1.00 34.21 C ATOM 1367 C GLU A 90 5.567 -3.784 7.263 1.00 74.42 C ATOM 1368 O GLU A 90 5.072 -4.897 7.451 1.00 74.35 O ATOM 1369 CB GLU A 90 6.610 -2.052 8.826 1.00 45.45 C ATOM 1370 CG GLU A 90 5.382 -2.084 9.742 1.00 43.41 C ATOM 1371 CD GLU A 90 5.563 -2.959 10.982 1.00 33.44 C ATOM 1372 OE1 GLU A 90 5.604 -4.206 10.897 1.00 73.23 O ATOM 1373 OE2 GLU A 90 5.635 -2.366 12.082 1.00 32.42 O ATOM 0 H GLU A 90 8.272 -2.188 7.091 1.00 30.14 H new ATOM 0 HA GLU A 90 7.060 -4.138 8.746 1.00 34.21 H new ATOM 0 HB2 GLU A 90 7.497 -1.857 9.429 1.00 45.45 H new ATOM 0 HB3 GLU A 90 6.510 -1.221 8.128 1.00 45.45 H new ATOM 0 HG2 GLU A 90 5.148 -1.067 10.057 1.00 43.41 H new ATOM 0 HG3 GLU A 90 4.525 -2.447 9.174 1.00 43.41 H new ATOM 1380 N LEU A 91 5.077 -2.923 6.361 1.00 73.14 N ATOM 1381 CA LEU A 91 3.857 -3.164 5.595 1.00 51.05 C ATOM 1382 C LEU A 91 3.910 -4.503 4.847 1.00 25.44 C ATOM 1383 O LEU A 91 2.886 -5.179 4.779 1.00 50.41 O ATOM 1384 CB LEU A 91 3.590 -2.013 4.615 1.00 54.13 C ATOM 1385 CG LEU A 91 3.174 -0.638 5.172 1.00 34.14 C ATOM 1386 CD1 LEU A 91 2.737 0.255 4.006 1.00 21.50 C ATOM 1387 CD2 LEU A 91 1.997 -0.698 6.138 1.00 11.21 C ATOM 0 H LEU A 91 5.524 -2.032 6.144 1.00 73.14 H new ATOM 0 HA LEU A 91 3.033 -3.214 6.307 1.00 51.05 H new ATOM 0 HB2 LEU A 91 4.494 -1.868 4.023 1.00 54.13 H new ATOM 0 HB3 LEU A 91 2.809 -2.340 3.929 1.00 54.13 H new ATOM 0 HG LEU A 91 4.041 -0.254 5.710 1.00 34.14 H new ATOM 0 HD11 LEU A 91 2.440 1.232 4.387 1.00 21.50 H new ATOM 0 HD12 LEU A 91 3.566 0.375 3.309 1.00 21.50 H new ATOM 0 HD13 LEU A 91 1.894 -0.205 3.491 1.00 21.50 H new ATOM 0 HD21 LEU A 91 1.762 0.307 6.488 1.00 11.21 H new ATOM 0 HD22 LEU A 91 1.129 -1.117 5.629 1.00 11.21 H new ATOM 0 HD23 LEU A 91 2.257 -1.327 6.989 1.00 11.21 H new ATOM 1399 N ALA A 92 5.088 -4.929 4.366 1.00 22.52 N ATOM 1400 CA ALA A 92 5.291 -6.229 3.719 1.00 0.23 C ATOM 1401 C ALA A 92 4.703 -7.376 4.544 1.00 2.44 C ATOM 1402 O ALA A 92 3.961 -8.187 4.003 1.00 71.22 O ATOM 1403 CB ALA A 92 6.782 -6.469 3.447 1.00 75.54 C ATOM 0 H ALA A 92 5.939 -4.369 4.418 1.00 22.52 H new ATOM 0 HA ALA A 92 4.759 -6.206 2.768 1.00 0.23 H new ATOM 0 HB1 ALA A 92 6.913 -7.439 2.967 1.00 75.54 H new ATOM 0 HB2 ALA A 92 7.163 -5.685 2.792 1.00 75.54 H new ATOM 0 HB3 ALA A 92 7.331 -6.454 4.389 1.00 75.54 H new ATOM 1409 N THR A 93 5.007 -7.449 5.842 1.00 22.41 N ATOM 1410 CA THR A 93 4.615 -8.590 6.674 1.00 52.34 C ATOM 1411 C THR A 93 3.353 -8.264 7.492 1.00 13.32 C ATOM 1412 O THR A 93 2.827 -9.101 8.232 1.00 42.23 O ATOM 1413 CB THR A 93 5.844 -9.078 7.463 1.00 13.00 C ATOM 1414 OG1 THR A 93 5.590 -10.304 8.124 1.00 3.20 O ATOM 1415 CG2 THR A 93 6.376 -8.047 8.450 1.00 12.02 C ATOM 0 H THR A 93 5.526 -6.727 6.342 1.00 22.41 H new ATOM 0 HA THR A 93 4.304 -9.443 6.071 1.00 52.34 H new ATOM 0 HB THR A 93 6.622 -9.236 6.717 1.00 13.00 H new ATOM 0 HG1 THR A 93 5.757 -11.048 7.509 1.00 3.20 H new ATOM 0 HG21 THR A 93 7.241 -8.456 8.972 1.00 12.02 H new ATOM 0 HG22 THR A 93 6.669 -7.146 7.912 1.00 12.02 H new ATOM 0 HG23 THR A 93 5.599 -7.801 9.174 1.00 12.02 H new ATOM 1423 N ARG A 94 2.822 -7.046 7.357 1.00 74.45 N ATOM 1424 CA ARG A 94 1.599 -6.600 8.014 1.00 14.41 C ATOM 1425 C ARG A 94 0.395 -6.616 7.074 1.00 5.21 C ATOM 1426 O ARG A 94 -0.721 -6.437 7.563 1.00 73.13 O ATOM 1427 CB ARG A 94 1.837 -5.184 8.551 1.00 61.34 C ATOM 1428 CG ARG A 94 2.801 -5.137 9.739 1.00 63.25 C ATOM 1429 CD ARG A 94 2.115 -5.568 11.045 1.00 11.30 C ATOM 1430 NE ARG A 94 2.528 -6.918 11.458 1.00 52.24 N ATOM 1431 CZ ARG A 94 3.594 -7.216 12.209 1.00 61.24 C ATOM 1432 NH1 ARG A 94 4.460 -6.287 12.598 1.00 30.54 N ATOM 1433 NH2 ARG A 94 3.784 -8.478 12.561 1.00 11.33 N ATOM 0 H ARG A 94 3.245 -6.326 6.771 1.00 74.45 H new ATOM 0 HA ARG A 94 1.366 -7.289 8.826 1.00 14.41 H new ATOM 0 HB2 ARG A 94 2.231 -4.561 7.748 1.00 61.34 H new ATOM 0 HB3 ARG A 94 0.882 -4.752 8.850 1.00 61.34 H new ATOM 0 HG2 ARG A 94 3.652 -5.789 9.543 1.00 63.25 H new ATOM 0 HG3 ARG A 94 3.193 -4.126 9.850 1.00 63.25 H new ATOM 0 HD2 ARG A 94 2.356 -4.856 11.835 1.00 11.30 H new ATOM 0 HD3 ARG A 94 1.033 -5.543 10.913 1.00 11.30 H new ATOM 0 HE ARG A 94 1.949 -7.697 11.143 1.00 52.24 H new ATOM 0 HH11 ARG A 94 4.322 -5.314 12.324 1.00 30.54 H new ATOM 0 HH12 ARG A 94 5.263 -6.546 13.171 1.00 30.54 H new ATOM 0 HH21 ARG A 94 3.125 -9.196 12.260 1.00 11.33 H new ATOM 0 HH22 ARG A 94 4.589 -8.732 13.133 1.00 11.33 H new ATOM 1447 N LYS A 95 0.594 -6.794 5.759 1.00 72.55 N ATOM 1448 CA LYS A 95 -0.454 -6.569 4.765 1.00 2.24 C ATOM 1449 C LYS A 95 -1.737 -7.277 5.141 1.00 31.43 C ATOM 1450 O LYS A 95 -2.770 -6.629 5.132 1.00 22.23 O ATOM 1451 CB LYS A 95 -0.013 -6.992 3.356 1.00 32.14 C ATOM 1452 CG LYS A 95 -1.163 -6.900 2.322 1.00 4.21 C ATOM 1453 CD LYS A 95 -0.890 -7.555 0.966 1.00 73.15 C ATOM 1454 CE LYS A 95 -0.761 -9.072 1.101 1.00 43.43 C ATOM 1455 NZ LYS A 95 -0.828 -9.794 -0.184 1.00 44.44 N ATOM 0 H LYS A 95 1.483 -7.097 5.361 1.00 72.55 H new ATOM 0 HA LYS A 95 -0.641 -5.495 4.752 1.00 2.24 H new ATOM 0 HB2 LYS A 95 0.814 -6.360 3.032 1.00 32.14 H new ATOM 0 HB3 LYS A 95 0.362 -8.015 3.388 1.00 32.14 H new ATOM 0 HG2 LYS A 95 -2.053 -7.358 2.754 1.00 4.21 H new ATOM 0 HG3 LYS A 95 -1.395 -5.848 2.157 1.00 4.21 H new ATOM 0 HD2 LYS A 95 -1.698 -7.316 0.275 1.00 73.15 H new ATOM 0 HD3 LYS A 95 0.026 -7.146 0.539 1.00 73.15 H new ATOM 0 HE2 LYS A 95 0.186 -9.304 1.588 1.00 43.43 H new ATOM 0 HE3 LYS A 95 -1.554 -9.438 1.754 1.00 43.43 H new ATOM 0 HZ1 LYS A 95 -0.836 -10.819 -0.006 1.00 44.44 H new ATOM 0 HZ2 LYS A 95 -1.696 -9.523 -0.689 1.00 44.44 H new ATOM 0 HZ3 LYS A 95 0.000 -9.549 -0.763 1.00 44.44 H new ATOM 1469 N ASP A 96 -1.688 -8.580 5.396 1.00 23.34 N ATOM 1470 CA ASP A 96 -2.884 -9.404 5.536 1.00 4.41 C ATOM 1471 C ASP A 96 -3.842 -8.829 6.580 1.00 64.55 C ATOM 1472 O ASP A 96 -5.049 -8.734 6.321 1.00 71.23 O ATOM 1473 CB ASP A 96 -2.518 -10.872 5.824 1.00 11.21 C ATOM 1474 CG ASP A 96 -2.593 -11.704 4.546 1.00 62.25 C ATOM 1475 OD1 ASP A 96 -3.701 -11.728 3.955 1.00 75.22 O ATOM 1476 OD2 ASP A 96 -1.509 -12.097 4.037 1.00 35.51 O ATOM 0 H ASP A 96 -0.816 -9.096 5.512 1.00 23.34 H new ATOM 0 HA ASP A 96 -3.414 -9.389 4.584 1.00 4.41 H new ATOM 0 HB2 ASP A 96 -1.513 -10.927 6.242 1.00 11.21 H new ATOM 0 HB3 ASP A 96 -3.197 -11.282 6.572 1.00 11.21 H new ATOM 1481 N GLN A 97 -3.300 -8.457 7.744 1.00 3.22 N ATOM 1482 CA GLN A 97 -4.054 -7.874 8.849 1.00 4.01 C ATOM 1483 C GLN A 97 -4.559 -6.464 8.514 1.00 5.02 C ATOM 1484 O GLN A 97 -5.729 -6.164 8.734 1.00 54.42 O ATOM 1485 CB GLN A 97 -3.152 -7.880 10.091 1.00 22.33 C ATOM 1486 CG GLN A 97 -3.817 -7.349 11.365 1.00 53.43 C ATOM 1487 CD GLN A 97 -5.060 -8.161 11.741 1.00 4.41 C ATOM 1488 OE1 GLN A 97 -4.956 -9.288 12.233 1.00 70.34 O ATOM 1489 NE2 GLN A 97 -6.249 -7.635 11.484 1.00 42.23 N ATOM 0 H GLN A 97 -2.305 -8.556 7.944 1.00 3.22 H new ATOM 0 HA GLN A 97 -4.948 -8.468 9.041 1.00 4.01 H new ATOM 0 HB2 GLN A 97 -2.812 -8.900 10.272 1.00 22.33 H new ATOM 0 HB3 GLN A 97 -2.265 -7.281 9.883 1.00 22.33 H new ATOM 0 HG2 GLN A 97 -3.102 -7.378 12.187 1.00 53.43 H new ATOM 0 HG3 GLN A 97 -4.095 -6.305 11.221 1.00 53.43 H new ATOM 0 HE21 GLN A 97 -6.317 -6.702 11.077 1.00 42.23 H new ATOM 0 HE22 GLN A 97 -7.096 -8.163 11.693 1.00 42.23 H new ATOM 1498 N LEU A 98 -3.704 -5.618 7.933 1.00 61.53 N ATOM 1499 CA LEU A 98 -4.027 -4.249 7.516 1.00 25.34 C ATOM 1500 C LEU A 98 -5.093 -4.241 6.433 1.00 5.31 C ATOM 1501 O LEU A 98 -5.901 -3.323 6.338 1.00 4.31 O ATOM 1502 CB LEU A 98 -2.767 -3.615 6.916 1.00 72.25 C ATOM 1503 CG LEU A 98 -1.847 -2.892 7.907 1.00 51.14 C ATOM 1504 CD1 LEU A 98 -1.678 -3.582 9.262 1.00 64.34 C ATOM 1505 CD2 LEU A 98 -0.486 -2.765 7.224 1.00 44.15 C ATOM 0 H LEU A 98 -2.737 -5.874 7.733 1.00 61.53 H new ATOM 0 HA LEU A 98 -4.389 -3.703 8.387 1.00 25.34 H new ATOM 0 HB2 LEU A 98 -2.192 -4.396 6.419 1.00 72.25 H new ATOM 0 HB3 LEU A 98 -3.071 -2.905 6.147 1.00 72.25 H new ATOM 0 HG LEU A 98 -2.306 -1.932 8.144 1.00 51.14 H new ATOM 0 HD11 LEU A 98 -1.010 -2.992 9.890 1.00 64.34 H new ATOM 0 HD12 LEU A 98 -2.649 -3.671 9.749 1.00 64.34 H new ATOM 0 HD13 LEU A 98 -1.254 -4.575 9.114 1.00 64.34 H new ATOM 0 HD21 LEU A 98 0.209 -2.255 7.890 1.00 44.15 H new ATOM 0 HD22 LEU A 98 -0.102 -3.758 6.990 1.00 44.15 H new ATOM 0 HD23 LEU A 98 -0.593 -2.191 6.303 1.00 44.15 H new ATOM 1517 N TRP A 99 -5.071 -5.250 5.576 1.00 71.52 N ATOM 1518 CA TRP A 99 -6.041 -5.411 4.524 1.00 5.24 C ATOM 1519 C TRP A 99 -7.385 -5.733 5.164 1.00 45.43 C ATOM 1520 O TRP A 99 -8.360 -5.053 4.865 1.00 34.25 O ATOM 1521 CB TRP A 99 -5.558 -6.468 3.527 1.00 4.40 C ATOM 1522 CG TRP A 99 -6.387 -6.547 2.291 1.00 33.33 C ATOM 1523 CD1 TRP A 99 -7.052 -7.644 1.870 1.00 4.04 C ATOM 1524 CD2 TRP A 99 -6.730 -5.479 1.356 1.00 41.24 C ATOM 1525 NE1 TRP A 99 -7.764 -7.334 0.732 1.00 3.45 N ATOM 1526 CE2 TRP A 99 -7.659 -6.000 0.411 1.00 33.22 C ATOM 1527 CE3 TRP A 99 -6.379 -4.116 1.225 1.00 35.30 C ATOM 1528 CZ2 TRP A 99 -8.276 -5.199 -0.557 1.00 53.12 C ATOM 1529 CZ3 TRP A 99 -6.956 -3.309 0.225 1.00 54.44 C ATOM 1530 CH2 TRP A 99 -7.913 -3.846 -0.658 1.00 20.54 C ATOM 0 H TRP A 99 -4.365 -5.986 5.599 1.00 71.52 H new ATOM 0 HA TRP A 99 -6.165 -4.496 3.945 1.00 5.24 H new ATOM 0 HB2 TRP A 99 -4.527 -6.249 3.249 1.00 4.40 H new ATOM 0 HB3 TRP A 99 -5.556 -7.442 4.016 1.00 4.40 H new ATOM 0 HD1 TRP A 99 -7.029 -8.611 2.349 1.00 4.04 H new ATOM 0 HE1 TRP A 99 -8.304 -8.011 0.193 1.00 3.45 H new ATOM 0 HE3 TRP A 99 -5.656 -3.686 1.903 1.00 35.30 H new ATOM 0 HZ2 TRP A 99 -9.022 -5.616 -1.218 1.00 53.12 H new ATOM 0 HZ3 TRP A 99 -6.663 -2.273 0.135 1.00 54.44 H new ATOM 0 HH2 TRP A 99 -8.367 -3.219 -1.411 1.00 20.54 H new ATOM 1541 N ALA A 100 -7.443 -6.698 6.088 1.00 54.10 N ATOM 1542 CA ALA A 100 -8.677 -7.027 6.792 1.00 10.25 C ATOM 1543 C ALA A 100 -9.219 -5.832 7.597 1.00 42.02 C ATOM 1544 O ALA A 100 -10.438 -5.644 7.660 1.00 24.25 O ATOM 1545 CB ALA A 100 -8.444 -8.234 7.704 1.00 23.51 C ATOM 0 H ALA A 100 -6.642 -7.265 6.364 1.00 54.10 H new ATOM 0 HA ALA A 100 -9.433 -7.277 6.048 1.00 10.25 H new ATOM 0 HB1 ALA A 100 -9.368 -8.477 8.229 1.00 23.51 H new ATOM 0 HB2 ALA A 100 -8.132 -9.089 7.104 1.00 23.51 H new ATOM 0 HB3 ALA A 100 -7.666 -7.997 8.430 1.00 23.51 H new ATOM 1551 N ASP A 101 -8.340 -5.023 8.193 1.00 54.21 N ATOM 1552 CA ASP A 101 -8.661 -3.737 8.821 1.00 31.42 C ATOM 1553 C ASP A 101 -9.342 -2.834 7.788 1.00 14.05 C ATOM 1554 O ASP A 101 -10.506 -2.464 7.949 1.00 12.44 O ATOM 1555 CB ASP A 101 -7.371 -3.126 9.401 1.00 72.44 C ATOM 1556 CG ASP A 101 -7.523 -1.778 10.111 1.00 23.21 C ATOM 1557 OD1 ASP A 101 -8.375 -0.944 9.736 1.00 10.33 O ATOM 1558 OD2 ASP A 101 -6.735 -1.560 11.061 1.00 73.23 O ATOM 0 H ASP A 101 -7.348 -5.253 8.254 1.00 54.21 H new ATOM 0 HA ASP A 101 -9.359 -3.862 9.649 1.00 31.42 H new ATOM 0 HB2 ASP A 101 -6.941 -3.838 10.105 1.00 72.44 H new ATOM 0 HB3 ASP A 101 -6.653 -3.007 8.590 1.00 72.44 H new ATOM 1563 N TYR A 102 -8.666 -2.532 6.681 1.00 34.24 N ATOM 1564 CA TYR A 102 -9.173 -1.639 5.655 1.00 33.54 C ATOM 1565 C TYR A 102 -10.439 -2.143 4.956 1.00 53.24 C ATOM 1566 O TYR A 102 -11.268 -1.314 4.577 1.00 23.11 O ATOM 1567 CB TYR A 102 -8.052 -1.364 4.646 1.00 30.21 C ATOM 1568 CG TYR A 102 -7.013 -0.315 5.042 1.00 23.14 C ATOM 1569 CD1 TYR A 102 -7.341 0.780 5.871 1.00 50.25 C ATOM 1570 CD2 TYR A 102 -5.695 -0.418 4.553 1.00 3.00 C ATOM 1571 CE1 TYR A 102 -6.378 1.745 6.206 1.00 54.02 C ATOM 1572 CE2 TYR A 102 -4.738 0.572 4.853 1.00 30.21 C ATOM 1573 CZ TYR A 102 -5.077 1.669 5.676 1.00 22.13 C ATOM 1574 OH TYR A 102 -4.177 2.655 5.950 1.00 30.10 O ATOM 0 H TYR A 102 -7.741 -2.908 6.474 1.00 34.24 H new ATOM 0 HA TYR A 102 -9.479 -0.716 6.147 1.00 33.54 H new ATOM 0 HB2 TYR A 102 -7.532 -2.302 4.452 1.00 30.21 H new ATOM 0 HB3 TYR A 102 -8.509 -1.053 3.707 1.00 30.21 H new ATOM 0 HD1 TYR A 102 -8.347 0.876 6.253 1.00 50.25 H new ATOM 0 HD2 TYR A 102 -5.416 -1.264 3.942 1.00 3.00 H new ATOM 0 HE1 TYR A 102 -6.638 2.552 6.875 1.00 54.02 H new ATOM 0 HE2 TYR A 102 -3.739 0.492 4.451 1.00 30.21 H new ATOM 0 HH TYR A 102 -3.403 2.272 6.412 1.00 30.10 H new ATOM 1584 N LEU A 103 -10.645 -3.455 4.806 1.00 51.40 N ATOM 1585 CA LEU A 103 -11.927 -4.009 4.363 1.00 3.33 C ATOM 1586 C LEU A 103 -13.050 -3.536 5.280 1.00 64.21 C ATOM 1587 O LEU A 103 -14.124 -3.207 4.774 1.00 32.44 O ATOM 1588 CB LEU A 103 -11.969 -5.554 4.352 1.00 52.11 C ATOM 1589 CG LEU A 103 -11.632 -6.311 3.054 1.00 63.33 C ATOM 1590 CD1 LEU A 103 -12.263 -5.717 1.795 1.00 41.02 C ATOM 1591 CD2 LEU A 103 -10.139 -6.464 2.830 1.00 2.31 C ATOM 0 H LEU A 103 -9.931 -4.160 4.988 1.00 51.40 H new ATOM 0 HA LEU A 103 -12.054 -3.654 3.340 1.00 3.33 H new ATOM 0 HB2 LEU A 103 -11.283 -5.905 5.123 1.00 52.11 H new ATOM 0 HB3 LEU A 103 -12.971 -5.856 4.656 1.00 52.11 H new ATOM 0 HG LEU A 103 -12.076 -7.293 3.216 1.00 63.33 H new ATOM 0 HD11 LEU A 103 -11.974 -6.311 0.928 1.00 41.02 H new ATOM 0 HD12 LEU A 103 -13.348 -5.724 1.894 1.00 41.02 H new ATOM 0 HD13 LEU A 103 -11.917 -4.692 1.664 1.00 41.02 H new ATOM 0 HD21 LEU A 103 -9.964 -7.005 1.900 1.00 2.31 H new ATOM 0 HD22 LEU A 103 -9.677 -5.478 2.768 1.00 2.31 H new ATOM 0 HD23 LEU A 103 -9.701 -7.018 3.660 1.00 2.31 H new ATOM 1603 N ALA A 104 -12.830 -3.551 6.601 1.00 72.34 N ATOM 1604 CA ALA A 104 -13.836 -3.129 7.562 1.00 71.21 C ATOM 1605 C ALA A 104 -14.074 -1.630 7.427 1.00 5.25 C ATOM 1606 O ALA A 104 -15.233 -1.222 7.456 1.00 65.31 O ATOM 1607 CB ALA A 104 -13.437 -3.493 8.993 1.00 51.34 C ATOM 0 H ALA A 104 -11.953 -3.855 7.023 1.00 72.34 H new ATOM 0 HA ALA A 104 -14.763 -3.659 7.345 1.00 71.21 H new ATOM 0 HB1 ALA A 104 -14.213 -3.162 9.683 1.00 51.34 H new ATOM 0 HB2 ALA A 104 -13.317 -4.573 9.074 1.00 51.34 H new ATOM 0 HB3 ALA A 104 -12.496 -3.004 9.244 1.00 51.34 H new ATOM 1613 N GLU A 105 -13.034 -0.816 7.208 1.00 52.43 N ATOM 1614 CA GLU A 105 -13.234 0.600 6.952 1.00 51.40 C ATOM 1615 C GLU A 105 -14.115 0.791 5.718 1.00 14.32 C ATOM 1616 O GLU A 105 -15.149 1.455 5.814 1.00 63.44 O ATOM 1617 CB GLU A 105 -11.919 1.365 6.775 1.00 74.53 C ATOM 1618 CG GLU A 105 -11.166 1.690 8.065 1.00 42.21 C ATOM 1619 CD GLU A 105 -10.379 2.998 7.938 1.00 33.42 C ATOM 1620 OE1 GLU A 105 -9.208 2.956 7.501 1.00 52.12 O ATOM 1621 OE2 GLU A 105 -10.931 4.076 8.279 1.00 23.32 O ATOM 0 H GLU A 105 -12.059 -1.117 7.204 1.00 52.43 H new ATOM 0 HA GLU A 105 -13.728 1.012 7.832 1.00 51.40 H new ATOM 0 HB2 GLU A 105 -11.263 0.780 6.130 1.00 74.53 H new ATOM 0 HB3 GLU A 105 -12.130 2.299 6.253 1.00 74.53 H new ATOM 0 HG2 GLU A 105 -11.873 1.768 8.891 1.00 42.21 H new ATOM 0 HG3 GLU A 105 -10.484 0.875 8.305 1.00 42.21 H new ATOM 1628 N LEU A 106 -13.732 0.200 4.578 1.00 2.24 N ATOM 1629 CA LEU A 106 -14.426 0.375 3.306 1.00 54.44 C ATOM 1630 C LEU A 106 -15.889 -0.052 3.404 1.00 50.24 C ATOM 1631 O LEU A 106 -16.768 0.636 2.882 1.00 30.42 O ATOM 1632 CB LEU A 106 -13.665 -0.329 2.150 1.00 72.40 C ATOM 1633 CG LEU A 106 -13.395 0.567 0.919 1.00 73.44 C ATOM 1634 CD1 LEU A 106 -14.677 1.250 0.490 1.00 30.52 C ATOM 1635 CD2 LEU A 106 -12.287 1.588 1.148 1.00 4.41 C ATOM 0 H LEU A 106 -12.923 -0.418 4.518 1.00 2.24 H new ATOM 0 HA LEU A 106 -14.435 1.439 3.068 1.00 54.44 H new ATOM 0 HB2 LEU A 106 -12.713 -0.698 2.531 1.00 72.40 H new ATOM 0 HB3 LEU A 106 -14.239 -1.199 1.831 1.00 72.40 H new ATOM 0 HG LEU A 106 -13.041 -0.085 0.120 1.00 73.44 H new ATOM 0 HD11 LEU A 106 -14.481 1.880 -0.378 1.00 30.52 H new ATOM 0 HD12 LEU A 106 -15.421 0.497 0.231 1.00 30.52 H new ATOM 0 HD13 LEU A 106 -15.053 1.865 1.308 1.00 30.52 H new ATOM 0 HD21 LEU A 106 -12.149 2.184 0.246 1.00 4.41 H new ATOM 0 HD22 LEU A 106 -12.560 2.242 1.976 1.00 4.41 H new ATOM 0 HD23 LEU A 106 -11.358 1.070 1.386 1.00 4.41 H new ATOM 1647 N ALA A 107 -16.144 -1.154 4.110 1.00 73.42 N ATOM 1648 CA ALA A 107 -17.487 -1.647 4.366 1.00 5.41 C ATOM 1649 C ALA A 107 -18.288 -0.590 5.133 1.00 21.35 C ATOM 1650 O ALA A 107 -19.349 -0.139 4.699 1.00 44.34 O ATOM 1651 CB ALA A 107 -17.392 -2.961 5.158 1.00 12.45 C ATOM 0 H ALA A 107 -15.412 -1.732 4.522 1.00 73.42 H new ATOM 0 HA ALA A 107 -18.005 -1.842 3.427 1.00 5.41 H new ATOM 0 HB1 ALA A 107 -18.395 -3.340 5.356 1.00 12.45 H new ATOM 0 HB2 ALA A 107 -16.834 -3.696 4.578 1.00 12.45 H new ATOM 0 HB3 ALA A 107 -16.880 -2.780 6.103 1.00 12.45 H new ATOM 1657 N SER A 108 -17.779 -0.207 6.300 1.00 33.01 N ATOM 1658 CA SER A 108 -18.544 0.504 7.314 1.00 54.40 C ATOM 1659 C SER A 108 -18.652 2.010 7.022 1.00 25.14 C ATOM 1660 O SER A 108 -19.594 2.655 7.483 1.00 54.54 O ATOM 1661 CB SER A 108 -17.915 0.219 8.679 1.00 25.45 C ATOM 1662 OG SER A 108 -17.468 -1.128 8.783 1.00 53.13 O ATOM 0 H SER A 108 -16.811 -0.385 6.570 1.00 33.01 H new ATOM 0 HA SER A 108 -19.572 0.143 7.307 1.00 54.40 H new ATOM 0 HB2 SER A 108 -17.075 0.894 8.840 1.00 25.45 H new ATOM 0 HB3 SER A 108 -18.643 0.422 9.464 1.00 25.45 H new ATOM 0 HG SER A 108 -16.527 -1.182 8.514 1.00 53.13 H new ATOM 1668 N ALA A 109 -17.746 2.556 6.198 1.00 64.33 N ATOM 1669 CA ALA A 109 -17.858 3.907 5.658 1.00 25.34 C ATOM 1670 C ALA A 109 -18.833 3.960 4.484 1.00 50.11 C ATOM 1671 O ALA A 109 -19.112 5.044 3.981 1.00 71.23 O ATOM 1672 CB ALA A 109 -16.492 4.417 5.179 1.00 54.43 C ATOM 0 H ALA A 109 -16.909 2.062 5.888 1.00 64.33 H new ATOM 0 HA ALA A 109 -18.230 4.540 6.463 1.00 25.34 H new ATOM 0 HB1 ALA A 109 -16.600 5.426 4.780 1.00 54.43 H new ATOM 0 HB2 ALA A 109 -15.794 4.430 6.016 1.00 54.43 H new ATOM 0 HB3 ALA A 109 -16.110 3.758 4.399 1.00 54.43 H new ATOM 1678 N GLY A 110 -19.304 2.826 3.970 1.00 65.02 N ATOM 1679 CA GLY A 110 -20.313 2.793 2.934 1.00 43.43 C ATOM 1680 C GLY A 110 -19.791 3.249 1.582 1.00 21.13 C ATOM 1681 O GLY A 110 -20.465 4.023 0.900 1.00 25.32 O ATOM 0 H GLY A 110 -18.989 1.903 4.268 1.00 65.02 H new ATOM 0 HA2 GLY A 110 -20.701 1.778 2.844 1.00 43.43 H new ATOM 0 HA3 GLY A 110 -21.148 3.428 3.228 1.00 43.43 H new ATOM 1685 N LYS A 111 -18.610 2.789 1.173 1.00 74.00 N ATOM 1686 CA LYS A 111 -18.065 3.095 -0.150 1.00 10.33 C ATOM 1687 C LYS A 111 -17.608 1.798 -0.764 1.00 74.42 C ATOM 1688 O LYS A 111 -17.879 0.716 -0.233 1.00 1.53 O ATOM 1689 CB LYS A 111 -16.926 4.132 -0.065 1.00 21.34 C ATOM 1690 CG LYS A 111 -17.158 5.327 0.872 1.00 54.42 C ATOM 1691 CD LYS A 111 -18.141 6.307 0.231 1.00 4.34 C ATOM 1692 CE LYS A 111 -18.822 7.214 1.253 1.00 63.40 C ATOM 1693 NZ LYS A 111 -19.999 6.580 1.878 1.00 73.22 N ATOM 0 H LYS A 111 -18.007 2.197 1.744 1.00 74.00 H new ATOM 0 HA LYS A 111 -18.829 3.550 -0.780 1.00 10.33 H new ATOM 0 HB2 LYS A 111 -16.019 3.618 0.255 1.00 21.34 H new ATOM 0 HB3 LYS A 111 -16.738 4.516 -1.068 1.00 21.34 H new ATOM 0 HG2 LYS A 111 -17.549 4.980 1.829 1.00 54.42 H new ATOM 0 HG3 LYS A 111 -16.212 5.829 1.077 1.00 54.42 H new ATOM 0 HD2 LYS A 111 -17.612 6.921 -0.498 1.00 4.34 H new ATOM 0 HD3 LYS A 111 -18.901 5.748 -0.315 1.00 4.34 H new ATOM 0 HE2 LYS A 111 -18.105 7.485 2.028 1.00 63.40 H new ATOM 0 HE3 LYS A 111 -19.128 8.139 0.765 1.00 63.40 H new ATOM 0 HZ1 LYS A 111 -20.786 7.260 1.906 1.00 73.22 H new ATOM 0 HZ2 LYS A 111 -20.281 5.747 1.323 1.00 73.22 H new ATOM 0 HZ3 LYS A 111 -19.761 6.286 2.847 1.00 73.22 H new ATOM 1707 N SER A 112 -16.895 1.901 -1.878 1.00 54.40 N ATOM 1708 CA SER A 112 -16.309 0.737 -2.480 1.00 44.03 C ATOM 1709 C SER A 112 -14.939 1.036 -3.039 1.00 71.30 C ATOM 1710 O SER A 112 -14.763 1.992 -3.787 1.00 33.15 O ATOM 1711 CB SER A 112 -17.217 0.220 -3.572 1.00 13.23 C ATOM 1712 OG SER A 112 -18.593 0.249 -3.213 1.00 75.34 O ATOM 0 H SER A 112 -16.716 2.776 -2.371 1.00 54.40 H new ATOM 0 HA SER A 112 -16.193 -0.026 -1.710 1.00 44.03 H new ATOM 0 HB2 SER A 112 -17.070 0.817 -4.472 1.00 13.23 H new ATOM 0 HB3 SER A 112 -16.933 -0.803 -3.818 1.00 13.23 H new ATOM 0 HG SER A 112 -19.143 0.219 -4.023 1.00 75.34 H new ATOM 1718 N ARG A 113 -13.961 0.219 -2.644 1.00 40.11 N ATOM 1719 CA ARG A 113 -12.655 0.177 -3.291 1.00 71.30 C ATOM 1720 C ARG A 113 -12.859 -0.006 -4.783 1.00 64.53 C ATOM 1721 O ARG A 113 -12.313 0.752 -5.583 1.00 2.22 O ATOM 1722 CB ARG A 113 -11.780 -0.969 -2.738 1.00 53.31 C ATOM 1723 CG ARG A 113 -12.532 -2.198 -2.230 1.00 22.11 C ATOM 1724 CD ARG A 113 -11.661 -3.462 -2.262 1.00 33.34 C ATOM 1725 NE ARG A 113 -12.375 -4.561 -1.619 1.00 22.23 N ATOM 1726 CZ ARG A 113 -13.574 -4.985 -2.050 1.00 60.44 C ATOM 1727 NH1 ARG A 113 -13.860 -5.027 -3.344 1.00 54.00 N ATOM 1728 NH2 ARG A 113 -14.542 -5.304 -1.200 1.00 73.30 N ATOM 0 H ARG A 113 -14.056 -0.432 -1.865 1.00 40.11 H new ATOM 0 HA ARG A 113 -12.135 1.113 -3.087 1.00 71.30 H new ATOM 0 HB2 ARG A 113 -11.093 -1.286 -3.522 1.00 53.31 H new ATOM 0 HB3 ARG A 113 -11.173 -0.576 -1.922 1.00 53.31 H new ATOM 0 HG2 ARG A 113 -12.872 -2.018 -1.210 1.00 22.11 H new ATOM 0 HG3 ARG A 113 -13.422 -2.356 -2.840 1.00 22.11 H new ATOM 0 HD2 ARG A 113 -11.420 -3.724 -3.292 1.00 33.34 H new ATOM 0 HD3 ARG A 113 -10.716 -3.279 -1.750 1.00 33.34 H new ATOM 0 HE ARG A 113 -11.949 -5.022 -0.815 1.00 22.23 H new ATOM 0 HH11 ARG A 113 -13.164 -4.734 -4.030 1.00 54.00 H new ATOM 0 HH12 ARG A 113 -14.776 -5.352 -3.654 1.00 54.00 H new ATOM 0 HH21 ARG A 113 -14.383 -5.229 -0.195 1.00 73.30 H new ATOM 0 HH22 ARG A 113 -15.445 -5.624 -1.552 1.00 73.30 H new ATOM 1742 N ASP A 114 -13.578 -1.073 -5.118 1.00 34.43 N ATOM 1743 CA ASP A 114 -13.795 -1.508 -6.483 1.00 33.12 C ATOM 1744 C ASP A 114 -14.588 -0.381 -7.142 1.00 3.12 C ATOM 1745 O ASP A 114 -15.482 0.177 -6.497 1.00 62.14 O ATOM 1746 CB ASP A 114 -14.599 -2.817 -6.439 1.00 61.54 C ATOM 1747 CG ASP A 114 -13.784 -4.080 -6.744 1.00 71.51 C ATOM 1748 OD1 ASP A 114 -12.923 -4.470 -5.922 1.00 4.21 O ATOM 1749 OD2 ASP A 114 -14.031 -4.737 -7.782 1.00 71.42 O ATOM 0 H ASP A 114 -14.034 -1.669 -4.428 1.00 34.43 H new ATOM 0 HA ASP A 114 -12.877 -1.700 -7.038 1.00 33.12 H new ATOM 0 HB2 ASP A 114 -15.046 -2.920 -5.450 1.00 61.54 H new ATOM 0 HB3 ASP A 114 -15.419 -2.748 -7.154 1.00 61.54 H new ATOM 1754 N PRO A 115 -14.330 -0.084 -8.422 1.00 51.41 N ATOM 1755 CA PRO A 115 -14.653 1.225 -8.983 1.00 44.04 C ATOM 1756 C PRO A 115 -16.154 1.486 -9.033 1.00 75.51 C ATOM 1757 O PRO A 115 -16.604 2.621 -8.831 1.00 23.52 O ATOM 1758 CB PRO A 115 -14.005 1.239 -10.370 1.00 43.04 C ATOM 1759 CG PRO A 115 -13.776 -0.235 -10.702 1.00 13.11 C ATOM 1760 CD PRO A 115 -13.498 -0.847 -9.336 1.00 3.45 C ATOM 0 HA PRO A 115 -14.270 2.032 -8.358 1.00 44.04 H new ATOM 0 HB2 PRO A 115 -14.653 1.715 -11.106 1.00 43.04 H new ATOM 0 HB3 PRO A 115 -13.067 1.795 -10.364 1.00 43.04 H new ATOM 0 HG2 PRO A 115 -14.649 -0.683 -11.176 1.00 13.11 H new ATOM 0 HG3 PRO A 115 -12.937 -0.371 -11.385 1.00 13.11 H new ATOM 0 HD2 PRO A 115 -13.754 -1.906 -9.316 1.00 3.45 H new ATOM 0 HD3 PRO A 115 -12.443 -0.769 -9.073 1.00 3.45 H new ATOM 1768 N ASP A 116 -16.926 0.427 -9.263 1.00 62.52 N ATOM 1769 CA ASP A 116 -18.373 0.413 -9.181 1.00 60.10 C ATOM 1770 C ASP A 116 -18.783 -0.943 -8.623 1.00 14.41 C ATOM 1771 O ASP A 116 -19.503 -1.721 -9.249 1.00 40.52 O ATOM 1772 CB ASP A 116 -18.985 0.722 -10.548 1.00 11.41 C ATOM 1773 CG ASP A 116 -20.492 0.972 -10.460 1.00 20.13 C ATOM 1774 OD1 ASP A 116 -21.056 1.104 -9.350 1.00 34.13 O ATOM 1775 OD2 ASP A 116 -21.118 1.132 -11.530 1.00 34.43 O ATOM 0 H ASP A 116 -16.538 -0.480 -9.522 1.00 62.52 H new ATOM 0 HA ASP A 116 -18.749 1.189 -8.514 1.00 60.10 H new ATOM 0 HB2 ASP A 116 -18.497 1.599 -10.974 1.00 11.41 H new ATOM 0 HB3 ASP A 116 -18.795 -0.110 -11.226 1.00 11.41 H new ATOM 1780 N GLU A 117 -18.225 -1.280 -7.458 1.00 41.03 N ATOM 1781 CA GLU A 117 -18.653 -2.444 -6.701 1.00 11.23 C ATOM 1782 C GLU A 117 -20.151 -2.311 -6.456 1.00 20.32 C ATOM 1783 O GLU A 117 -20.629 -1.208 -6.182 1.00 24.11 O ATOM 1784 CB GLU A 117 -17.916 -2.475 -5.356 1.00 35.44 C ATOM 1785 CG GLU A 117 -17.690 -3.895 -4.837 1.00 72.21 C ATOM 1786 CD GLU A 117 -16.830 -4.020 -3.570 1.00 44.00 C ATOM 1787 OE1 GLU A 117 -16.282 -3.021 -3.051 1.00 53.14 O ATOM 1788 OE2 GLU A 117 -16.590 -5.179 -3.154 1.00 21.51 O ATOM 0 H GLU A 117 -17.469 -0.753 -7.021 1.00 41.03 H new ATOM 0 HA GLU A 117 -18.433 -3.361 -7.247 1.00 11.23 H new ATOM 0 HB2 GLU A 117 -16.954 -1.975 -5.463 1.00 35.44 H new ATOM 0 HB3 GLU A 117 -18.489 -1.911 -4.620 1.00 35.44 H new ATOM 0 HG2 GLU A 117 -18.662 -4.347 -4.639 1.00 72.21 H new ATOM 0 HG3 GLU A 117 -17.222 -4.480 -5.629 1.00 72.21 H new ATOM 1795 N SER A 118 -20.897 -3.411 -6.492 1.00 61.13 N ATOM 1796 CA SER A 118 -22.292 -3.422 -6.104 1.00 11.44 C ATOM 1797 C SER A 118 -22.648 -4.821 -5.635 1.00 0.25 C ATOM 1798 O SER A 118 -22.987 -5.700 -6.424 1.00 31.15 O ATOM 1799 CB SER A 118 -23.181 -2.914 -7.243 1.00 44.41 C ATOM 1800 OG SER A 118 -23.095 -1.499 -7.346 1.00 31.01 O ATOM 0 H SER A 118 -20.544 -4.319 -6.793 1.00 61.13 H new ATOM 0 HA SER A 118 -22.467 -2.735 -5.276 1.00 11.44 H new ATOM 0 HB2 SER A 118 -22.875 -3.373 -8.183 1.00 44.41 H new ATOM 0 HB3 SER A 118 -24.215 -3.210 -7.065 1.00 44.41 H new ATOM 0 HG SER A 118 -22.260 -1.191 -6.935 1.00 31.01 H new ATOM 1806 N VAL A 119 -22.511 -5.013 -4.330 1.00 74.01 N ATOM 1807 CA VAL A 119 -22.984 -6.146 -3.563 1.00 75.32 C ATOM 1808 C VAL A 119 -23.372 -5.585 -2.194 1.00 51.21 C ATOM 1809 O VAL A 119 -22.682 -4.715 -1.659 1.00 40.12 O ATOM 1810 CB VAL A 119 -21.888 -7.237 -3.519 1.00 14.45 C ATOM 1811 CG1 VAL A 119 -20.494 -6.726 -3.112 1.00 20.02 C ATOM 1812 CG2 VAL A 119 -22.283 -8.403 -2.602 1.00 11.43 C ATOM 0 H VAL A 119 -22.032 -4.330 -3.743 1.00 74.01 H new ATOM 0 HA VAL A 119 -23.852 -6.639 -4.000 1.00 75.32 H new ATOM 0 HB VAL A 119 -21.813 -7.581 -4.551 1.00 14.45 H new ATOM 0 HG11 VAL A 119 -19.789 -7.557 -3.108 1.00 20.02 H new ATOM 0 HG12 VAL A 119 -20.161 -5.971 -3.824 1.00 20.02 H new ATOM 0 HG13 VAL A 119 -20.544 -6.287 -2.115 1.00 20.02 H new ATOM 0 HG21 VAL A 119 -21.488 -9.148 -2.598 1.00 11.43 H new ATOM 0 HG22 VAL A 119 -22.438 -8.033 -1.589 1.00 11.43 H new ATOM 0 HG23 VAL A 119 -23.204 -8.857 -2.967 1.00 11.43 H new ATOM 1822 N VAL A 120 -24.469 -6.066 -1.617 1.00 12.42 N ATOM 1823 CA VAL A 120 -24.785 -5.843 -0.215 1.00 75.00 C ATOM 1824 C VAL A 120 -24.133 -6.990 0.544 1.00 24.21 C ATOM 1825 O VAL A 120 -24.499 -8.150 0.348 1.00 32.04 O ATOM 1826 CB VAL A 120 -26.307 -5.789 0.007 1.00 74.41 C ATOM 1827 CG1 VAL A 120 -26.641 -5.628 1.495 1.00 1.21 C ATOM 1828 CG2 VAL A 120 -26.934 -4.632 -0.777 1.00 73.11 C ATOM 0 H VAL A 120 -25.165 -6.623 -2.113 1.00 12.42 H new ATOM 0 HA VAL A 120 -24.407 -4.884 0.138 1.00 75.00 H new ATOM 0 HB VAL A 120 -26.720 -6.732 -0.352 1.00 74.41 H new ATOM 0 HG11 VAL A 120 -27.723 -5.593 1.623 1.00 1.21 H new ATOM 0 HG12 VAL A 120 -26.237 -6.473 2.052 1.00 1.21 H new ATOM 0 HG13 VAL A 120 -26.201 -4.703 1.869 1.00 1.21 H new ATOM 0 HG21 VAL A 120 -28.010 -4.616 -0.603 1.00 73.11 H new ATOM 0 HG22 VAL A 120 -26.498 -3.689 -0.445 1.00 73.11 H new ATOM 0 HG23 VAL A 120 -26.740 -4.766 -1.841 1.00 73.11 H new ATOM 1838 N LYS A 121 -23.146 -6.681 1.386 1.00 73.13 N ATOM 1839 CA LYS A 121 -22.523 -7.648 2.297 1.00 52.33 C ATOM 1840 C LYS A 121 -22.506 -7.179 3.751 1.00 62.20 C ATOM 1841 O LYS A 121 -22.095 -7.944 4.628 1.00 61.01 O ATOM 1842 CB LYS A 121 -21.120 -8.019 1.801 1.00 63.02 C ATOM 1843 CG LYS A 121 -20.175 -6.810 1.652 1.00 52.53 C ATOM 1844 CD LYS A 121 -18.699 -7.221 1.627 1.00 31.02 C ATOM 1845 CE LYS A 121 -18.429 -8.239 0.515 1.00 43.50 C ATOM 1846 NZ LYS A 121 -17.111 -8.884 0.650 1.00 51.51 N ATOM 0 H LYS A 121 -22.751 -5.743 1.457 1.00 73.13 H new ATOM 0 HA LYS A 121 -23.143 -8.544 2.288 1.00 52.33 H new ATOM 0 HB2 LYS A 121 -20.676 -8.733 2.495 1.00 63.02 H new ATOM 0 HB3 LYS A 121 -21.206 -8.522 0.838 1.00 63.02 H new ATOM 0 HG2 LYS A 121 -20.416 -6.275 0.733 1.00 52.53 H new ATOM 0 HG3 LYS A 121 -20.343 -6.118 2.477 1.00 52.53 H new ATOM 0 HD2 LYS A 121 -18.075 -6.340 1.477 1.00 31.02 H new ATOM 0 HD3 LYS A 121 -18.421 -7.648 2.591 1.00 31.02 H new ATOM 0 HE2 LYS A 121 -19.207 -9.002 0.529 1.00 43.50 H new ATOM 0 HE3 LYS A 121 -18.489 -7.740 -0.452 1.00 43.50 H new ATOM 0 HZ1 LYS A 121 -16.976 -9.564 -0.126 1.00 51.51 H new ATOM 0 HZ2 LYS A 121 -16.365 -8.161 0.610 1.00 51.51 H new ATOM 0 HZ3 LYS A 121 -17.061 -9.384 1.561 1.00 51.51 H new ATOM 1860 N LEU A 122 -22.956 -5.956 4.028 1.00 35.34 N ATOM 1861 CA LEU A 122 -23.069 -5.388 5.363 1.00 4.35 C ATOM 1862 C LEU A 122 -24.497 -4.873 5.512 1.00 34.35 C ATOM 1863 O LEU A 122 -25.142 -4.544 4.512 1.00 13.53 O ATOM 1864 CB LEU A 122 -22.039 -4.258 5.511 1.00 70.30 C ATOM 1865 CG LEU A 122 -21.662 -3.896 6.955 1.00 42.42 C ATOM 1866 CD1 LEU A 122 -20.737 -4.956 7.564 1.00 30.45 C ATOM 1867 CD2 LEU A 122 -20.950 -2.541 6.935 1.00 10.44 C ATOM 0 H LEU A 122 -23.262 -5.312 3.298 1.00 35.34 H new ATOM 0 HA LEU A 122 -22.867 -6.123 6.142 1.00 4.35 H new ATOM 0 HB2 LEU A 122 -21.132 -4.543 4.977 1.00 70.30 H new ATOM 0 HB3 LEU A 122 -22.430 -3.366 5.021 1.00 70.30 H new ATOM 0 HG LEU A 122 -22.564 -3.850 7.565 1.00 42.42 H new ATOM 0 HD11 LEU A 122 -20.485 -4.675 8.587 1.00 30.45 H new ATOM 0 HD12 LEU A 122 -21.242 -5.922 7.567 1.00 30.45 H new ATOM 0 HD13 LEU A 122 -19.824 -5.026 6.972 1.00 30.45 H new ATOM 0 HD21 LEU A 122 -20.672 -2.261 7.951 1.00 10.44 H new ATOM 0 HD22 LEU A 122 -20.053 -2.610 6.319 1.00 10.44 H new ATOM 0 HD23 LEU A 122 -21.617 -1.785 6.521 1.00 10.44 H new ATOM 1879 N MET A 123 -24.993 -4.778 6.745 1.00 3.43 N ATOM 1880 CA MET A 123 -26.351 -4.314 7.034 1.00 32.45 C ATOM 1881 C MET A 123 -26.522 -2.805 6.783 1.00 51.21 C ATOM 1882 O MET A 123 -27.615 -2.274 6.987 1.00 2.22 O ATOM 1883 CB MET A 123 -26.667 -4.648 8.506 1.00 14.22 C ATOM 1884 CG MET A 123 -28.162 -4.761 8.843 1.00 73.04 C ATOM 1885 SD MET A 123 -28.958 -6.295 8.289 1.00 11.21 S ATOM 1886 CE MET A 123 -29.910 -5.672 6.879 1.00 74.44 C ATOM 0 H MET A 123 -24.460 -5.023 7.579 1.00 3.43 H new ATOM 0 HA MET A 123 -27.044 -4.820 6.361 1.00 32.45 H new ATOM 0 HB2 MET A 123 -26.181 -5.590 8.761 1.00 14.22 H new ATOM 0 HB3 MET A 123 -26.225 -3.879 9.140 1.00 14.22 H new ATOM 0 HG2 MET A 123 -28.283 -4.676 9.923 1.00 73.04 H new ATOM 0 HG3 MET A 123 -28.685 -3.916 8.396 1.00 73.04 H new ATOM 0 HE1 MET A 123 -30.091 -6.484 6.175 1.00 74.44 H new ATOM 0 HE2 MET A 123 -30.863 -5.276 7.230 1.00 74.44 H new ATOM 0 HE3 MET A 123 -29.349 -4.880 6.383 1.00 74.44 H new ATOM 1896 N LEU A 124 -25.458 -2.073 6.440 1.00 73.42 N ATOM 1897 CA LEU A 124 -25.398 -0.620 6.450 1.00 45.41 C ATOM 1898 C LEU A 124 -24.578 -0.219 5.244 1.00 65.12 C ATOM 1899 O LEU A 124 -25.040 0.600 4.430 1.00 32.21 O ATOM 1900 CB LEU A 124 -24.763 -0.162 7.782 1.00 61.33 C ATOM 1901 CG LEU A 124 -25.161 1.265 8.192 1.00 32.33 C ATOM 1902 CD1 LEU A 124 -24.887 1.471 9.684 1.00 41.41 C ATOM 1903 CD2 LEU A 124 -24.400 2.321 7.401 1.00 32.43 C ATOM 0 H LEU A 124 -24.583 -2.500 6.136 1.00 73.42 H new ATOM 0 HA LEU A 124 -26.379 -0.149 6.388 1.00 45.41 H new ATOM 0 HB2 LEU A 124 -25.056 -0.854 8.572 1.00 61.33 H new ATOM 0 HB3 LEU A 124 -23.678 -0.218 7.696 1.00 61.33 H new ATOM 0 HG LEU A 124 -26.224 1.379 7.978 1.00 32.33 H new ATOM 0 HD11 LEU A 124 -25.171 2.484 9.970 1.00 41.41 H new ATOM 0 HD12 LEU A 124 -25.469 0.754 10.263 1.00 41.41 H new ATOM 0 HD13 LEU A 124 -23.826 1.322 9.883 1.00 41.41 H new ATOM 0 HD21 LEU A 124 -24.713 3.314 7.724 1.00 32.43 H new ATOM 0 HD22 LEU A 124 -23.330 2.204 7.574 1.00 32.43 H new ATOM 0 HD23 LEU A 124 -24.611 2.202 6.338 1.00 32.43 H new TER 1915 LEU A 124