USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 816 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 30 GLN : amide:sc= -3.31 K(o=-4.4,f=-9.2!) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.07 K(o=-4.4,f=-12!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.147 USER MOD Single : A 5 THR OG1 : rot 102:sc= 0.211 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.51! C(o=-2.5!,f=-6.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.552 USER MOD Single : A 37 SER OG : rot -34:sc= 0.951 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 58 SER OG : rot -70:sc= 0.312 USER MOD Single : A 62 THR OG1 : rot 171:sc= -0.673 USER MOD Single : A 64 THR OG1 : rot -170:sc= -0.847 USER MOD Single : A 70 MET CE :methyl -137:sc= -1.15 (180deg=-2.78!) USER MOD Single : A 74 SER OG : rot 110:sc=-0.00199 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -37:sc= 1.17 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 61:sc= 0.826 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 3.571 -1.979 -0.541 1.00 23.13 N ATOM 19 CA SER A 2 4.581 -3.030 -0.564 1.00 70.22 C ATOM 20 C SER A 2 4.166 -4.162 -1.499 1.00 60.42 C ATOM 21 O SER A 2 3.205 -4.036 -2.257 1.00 33.03 O ATOM 22 CB SER A 2 4.811 -3.576 0.847 1.00 14.01 C ATOM 23 OG SER A 2 6.091 -4.175 0.960 1.00 44.23 O ATOM 0 HA SER A 2 5.511 -2.599 -0.935 1.00 70.22 H new ATOM 0 HB2 SER A 2 4.719 -2.768 1.573 1.00 14.01 H new ATOM 0 HB3 SER A 2 4.041 -4.309 1.087 1.00 14.01 H new ATOM 0 HG SER A 2 6.214 -4.514 1.871 1.00 44.23 H new ATOM 29 N VAL A 3 4.898 -5.270 -1.437 1.00 5.10 N ATOM 30 CA VAL A 3 4.607 -6.427 -2.276 1.00 74.43 C ATOM 31 C VAL A 3 3.132 -6.806 -2.196 1.00 53.33 C ATOM 32 O VAL A 3 2.560 -7.319 -3.157 1.00 14.34 O ATOM 33 CB VAL A 3 5.460 -7.643 -1.872 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.923 -8.273 -0.596 1.00 62.02 C ATOM 35 CG2 VAL A 3 5.505 -8.661 -3.001 1.00 71.40 C ATOM 0 H VAL A 3 5.697 -5.391 -0.814 1.00 5.10 H new ATOM 0 HA VAL A 3 4.853 -6.145 -3.300 1.00 74.43 H new ATOM 0 HB VAL A 3 6.477 -7.303 -1.680 1.00 11.31 H new ATOM 0 HG11 VAL A 3 5.539 -9.131 -0.327 1.00 62.02 H new ATOM 0 HG12 VAL A 3 4.949 -7.540 0.210 1.00 62.02 H new ATOM 0 HG13 VAL A 3 3.896 -8.600 -0.756 1.00 62.02 H new ATOM 0 HG21 VAL A 3 6.112 -9.514 -2.698 1.00 71.40 H new ATOM 0 HG22 VAL A 3 4.493 -8.998 -3.228 1.00 71.40 H new ATOM 0 HG23 VAL A 3 5.942 -8.202 -3.888 1.00 71.40 H new ATOM 45 N GLU A 4 2.522 -6.549 -1.043 1.00 43.03 N ATOM 46 CA GLU A 4 1.113 -6.863 -0.839 1.00 11.43 C ATOM 47 C GLU A 4 0.235 -6.097 -1.823 1.00 22.33 C ATOM 48 O GLU A 4 -0.766 -6.616 -2.317 1.00 35.51 O ATOM 49 CB GLU A 4 0.697 -6.533 0.597 1.00 73.40 C ATOM 50 CG GLU A 4 0.898 -5.073 0.968 1.00 34.13 C ATOM 51 CD GLU A 4 0.538 -4.784 2.413 1.00 73.21 C ATOM 52 OE1 GLU A 4 0.314 -5.750 3.172 1.00 60.22 O ATOM 53 OE2 GLU A 4 0.481 -3.593 2.783 1.00 42.52 O1- ATOM 0 H GLU A 4 2.981 -6.125 -0.237 1.00 43.03 H new ATOM 0 HA GLU A 4 0.977 -7.930 -1.014 1.00 11.43 H new ATOM 0 HB2 GLU A 4 -0.353 -6.792 0.731 1.00 73.40 H new ATOM 0 HB3 GLU A 4 1.269 -7.156 1.284 1.00 73.40 H new ATOM 0 HG2 GLU A 4 1.938 -4.798 0.794 1.00 34.13 H new ATOM 0 HG3 GLU A 4 0.290 -4.449 0.314 1.00 34.13 H new ATOM 60 N THR A 5 0.617 -4.855 -2.105 1.00 74.04 N ATOM 61 CA THR A 5 -0.134 -4.015 -3.029 1.00 61.14 C ATOM 62 C THR A 5 0.158 -4.391 -4.476 1.00 11.11 C ATOM 63 O THR A 5 -0.720 -4.318 -5.337 1.00 53.10 O ATOM 64 CB THR A 5 0.190 -2.523 -2.822 1.00 23.45 C ATOM 65 OG1 THR A 5 0.429 -2.261 -1.435 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.950 -1.647 -3.319 1.00 71.31 C ATOM 0 H THR A 5 1.443 -4.409 -1.706 1.00 74.04 H new ATOM 0 HA THR A 5 -1.191 -4.182 -2.820 1.00 61.14 H new ATOM 0 HB THR A 5 1.086 -2.286 -3.396 1.00 23.45 H new ATOM 0 HG1 THR A 5 1.394 -2.197 -1.276 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.698 -0.598 -3.162 1.00 71.31 H new ATOM 0 HG22 THR A 5 -1.110 -1.827 -4.382 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.860 -1.888 -2.769 1.00 71.31 H new ATOM 74 N ILE A 6 1.397 -4.794 -4.740 1.00 14.44 N ATOM 75 CA ILE A 6 1.803 -5.184 -6.084 1.00 13.03 C ATOM 76 C ILE A 6 1.087 -6.455 -6.528 1.00 73.35 C ATOM 77 O ILE A 6 0.436 -6.479 -7.574 1.00 33.51 O ATOM 78 CB ILE A 6 3.325 -5.410 -6.169 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.068 -4.317 -5.397 1.00 24.24 C ATOM 80 CG2 ILE A 6 3.776 -5.440 -7.621 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.574 -2.920 -5.701 1.00 64.21 C ATOM 0 H ILE A 6 2.137 -4.859 -4.040 1.00 14.44 H new ATOM 0 HA ILE A 6 1.527 -4.364 -6.747 1.00 13.03 H new ATOM 0 HB ILE A 6 3.561 -6.373 -5.716 1.00 41.41 H new ATOM 0 HG12 ILE A 6 3.966 -4.505 -4.328 1.00 24.24 H new ATOM 0 HG13 ILE A 6 5.131 -4.377 -5.631 1.00 24.24 H new ATOM 0 HG21 ILE A 6 4.853 -5.600 -7.664 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.267 -6.250 -8.143 1.00 42.51 H new ATOM 0 HG23 ILE A 6 3.531 -4.491 -8.098 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.146 -2.197 -5.119 1.00 64.21 H new ATOM 0 HD12 ILE A 6 3.701 -2.712 -6.763 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.518 -2.843 -5.440 1.00 64.21 H new ATOM 93 N ILE A 7 1.210 -7.508 -5.728 1.00 51.41 N ATOM 94 CA ILE A 7 0.572 -8.781 -6.038 1.00 0.02 C ATOM 95 C ILE A 7 -0.945 -8.632 -6.109 1.00 53.31 C ATOM 96 O ILE A 7 -1.601 -9.264 -6.936 1.00 54.10 O ATOM 97 CB ILE A 7 0.922 -9.856 -4.992 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.419 -10.172 -5.037 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.102 -11.114 -5.230 1.00 54.25 C ATOM 100 CD1 ILE A 7 2.889 -10.681 -6.380 1.00 52.51 C ATOM 0 H ILE A 7 1.746 -7.505 -4.860 1.00 51.41 H new ATOM 0 HA ILE A 7 0.951 -9.095 -7.011 1.00 0.02 H new ATOM 0 HB ILE A 7 0.680 -9.471 -4.001 1.00 13.24 H new ATOM 0 HG12 ILE A 7 2.980 -9.273 -4.782 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.648 -10.917 -4.275 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.361 -11.864 -4.483 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.959 -10.877 -5.153 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.315 -11.505 -6.225 1.00 54.25 H new ATOM 0 HD11 ILE A 7 3.959 -10.884 -6.338 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.355 -11.598 -6.629 1.00 52.51 H new ATOM 0 HD13 ILE A 7 2.692 -9.928 -7.144 1.00 52.51 H new ATOM 112 N GLU A 8 -1.493 -7.792 -5.238 1.00 35.43 N ATOM 113 CA GLU A 8 -2.933 -7.560 -5.203 1.00 71.25 C ATOM 114 C GLU A 8 -3.462 -7.217 -6.592 1.00 71.52 C ATOM 115 O GLU A 8 -4.551 -7.645 -6.976 1.00 32.54 O ATOM 116 CB GLU A 8 -3.266 -6.430 -4.225 1.00 71.25 C ATOM 117 CG GLU A 8 -3.791 -6.920 -2.886 1.00 15.12 C ATOM 118 CD GLU A 8 -5.297 -7.098 -2.880 1.00 1.01 C ATOM 119 OE1 GLU A 8 -5.784 -8.000 -2.166 1.00 75.25 O ATOM 120 OE2 GLU A 8 -5.988 -6.337 -3.588 1.00 14.41 O1- ATOM 0 H GLU A 8 -0.963 -7.261 -4.547 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.415 -8.477 -4.865 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.371 -5.830 -4.058 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -4.009 -5.775 -4.679 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -3.316 -7.869 -2.639 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.510 -6.210 -2.108 1.00 15.12 H new ATOM 127 N ARG A 9 -2.684 -6.443 -7.342 1.00 14.15 N ATOM 128 CA ARG A 9 -3.074 -6.042 -8.688 1.00 33.34 C ATOM 129 C ARG A 9 -2.872 -7.186 -9.677 1.00 22.34 C ATOM 130 O ARG A 9 -3.611 -7.312 -10.653 1.00 52.23 O ATOM 131 CB ARG A 9 -2.267 -4.821 -9.132 1.00 41.22 C ATOM 132 CG ARG A 9 -3.129 -3.646 -9.567 1.00 63.41 C ATOM 133 CD ARG A 9 -3.098 -2.523 -8.541 1.00 44.44 C ATOM 134 NE ARG A 9 -4.275 -1.664 -8.636 1.00 1.20 N ATOM 135 CZ ARG A 9 -5.477 -2.012 -8.193 1.00 43.43 C ATOM 136 NH1 ARG A 9 -5.662 -3.196 -7.627 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -6.499 -1.174 -8.316 1.00 51.24 N ATOM 0 H ARG A 9 -1.779 -6.081 -7.040 1.00 14.15 H new ATOM 0 HA ARG A 9 -4.133 -5.783 -8.671 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -1.623 -4.504 -8.312 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -1.615 -5.107 -9.957 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -2.778 -3.272 -10.529 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -4.156 -3.981 -9.711 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -3.039 -2.948 -7.539 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -2.199 -1.924 -8.686 1.00 44.44 H new ATOM 0 HE ARG A 9 -4.168 -0.746 -9.067 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -4.879 -3.843 -7.531 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -6.587 -3.460 -7.288 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -6.361 -0.262 -8.751 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -7.422 -1.442 -7.975 1.00 51.24 H new ATOM 151 N ILE A 10 -1.868 -8.015 -9.416 1.00 40.41 N ATOM 152 CA ILE A 10 -1.569 -9.149 -10.283 1.00 14.34 C ATOM 153 C ILE A 10 -2.671 -10.201 -10.209 1.00 62.03 C ATOM 154 O ILE A 10 -3.295 -10.534 -11.217 1.00 74.00 O ATOM 155 CB ILE A 10 -0.225 -9.802 -9.913 1.00 5.51 C ATOM 156 CG1 ILE A 10 0.938 -8.913 -10.355 1.00 24.51 C ATOM 157 CG2 ILE A 10 -0.114 -11.182 -10.547 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.217 -9.164 -9.588 1.00 13.02 C ATOM 0 H ILE A 10 -1.247 -7.924 -8.612 1.00 40.41 H new ATOM 0 HA ILE A 10 -1.506 -8.762 -11.300 1.00 14.34 H new ATOM 0 HB ILE A 10 -0.180 -9.916 -8.830 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.124 -9.073 -11.417 1.00 24.51 H new ATOM 0 HG13 ILE A 10 0.652 -7.868 -10.236 1.00 24.51 H new ATOM 0 HG21 ILE A 10 0.842 -11.631 -10.276 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.926 -11.814 -10.188 1.00 55.12 H new ATOM 0 HG23 ILE A 10 -0.178 -11.090 -11.631 1.00 55.12 H new ATOM 0 HD11 ILE A 10 2.998 -8.498 -9.955 1.00 13.02 H new ATOM 0 HD12 ILE A 10 2.048 -8.976 -8.528 1.00 13.02 H new ATOM 0 HD13 ILE A 10 2.528 -10.199 -9.728 1.00 13.02 H new ATOM 170 N LYS A 11 -2.906 -10.722 -9.009 1.00 61.13 N ATOM 171 CA LYS A 11 -3.934 -11.735 -8.802 1.00 50.23 C ATOM 172 C LYS A 11 -5.251 -11.313 -9.445 1.00 62.52 C ATOM 173 O LYS A 11 -5.969 -12.138 -10.008 1.00 43.22 O ATOM 174 CB LYS A 11 -4.140 -11.982 -7.306 1.00 4.34 C ATOM 175 CG LYS A 11 -4.180 -10.709 -6.479 1.00 75.22 C ATOM 176 CD LYS A 11 -5.322 -10.729 -5.477 1.00 21.30 C ATOM 177 CE LYS A 11 -6.383 -9.694 -5.819 1.00 45.52 C ATOM 178 NZ LYS A 11 -7.759 -10.227 -5.626 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.398 -10.459 -8.165 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.600 -12.659 -9.274 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -5.072 -12.528 -7.162 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -3.336 -12.619 -6.938 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -3.234 -10.587 -5.951 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -4.289 -9.849 -7.139 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.773 -11.721 -5.458 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -4.933 -10.536 -4.477 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -6.244 -8.812 -5.194 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -6.259 -9.375 -6.854 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -8.453 -9.492 -5.869 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -7.900 -11.054 -6.241 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -7.886 -10.508 -4.633 1.00 13.21 H new ATOM 192 N ALA A 12 -5.560 -10.023 -9.358 1.00 55.14 N ATOM 193 CA ALA A 12 -6.789 -9.492 -9.935 1.00 34.34 C ATOM 194 C ALA A 12 -6.831 -9.718 -11.442 1.00 55.24 C ATOM 195 O ALA A 12 -7.816 -10.228 -11.976 1.00 10.40 O ATOM 196 CB ALA A 12 -6.924 -8.010 -9.618 1.00 45.33 C ATOM 0 H ALA A 12 -4.977 -9.327 -8.894 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.629 -10.026 -9.491 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.846 -7.627 -10.055 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.949 -7.870 -8.537 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -6.074 -7.470 -10.034 1.00 45.33 H new ATOM 202 N ARG A 13 -5.755 -9.335 -12.124 1.00 1.42 N ATOM 203 CA ARG A 13 -5.671 -9.494 -13.570 1.00 42.34 C ATOM 204 C ARG A 13 -5.552 -10.968 -13.949 1.00 75.41 C ATOM 205 O ARG A 13 -6.103 -11.407 -14.958 1.00 71.34 O ATOM 206 CB ARG A 13 -4.473 -8.718 -14.120 1.00 55.21 C ATOM 207 CG ARG A 13 -4.263 -8.901 -15.614 1.00 12.20 C ATOM 208 CD ARG A 13 -2.895 -9.493 -15.916 1.00 25.52 C ATOM 209 NE ARG A 13 -2.316 -8.940 -17.137 1.00 14.11 N ATOM 210 CZ ARG A 13 -1.918 -7.678 -17.254 1.00 35.11 C ATOM 211 NH1 ARG A 13 -2.035 -6.843 -16.230 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -1.399 -7.248 -18.398 1.00 54.31 N ATOM 0 H ARG A 13 -4.930 -8.913 -11.697 1.00 1.42 H new ATOM 0 HA ARG A 13 -6.586 -9.096 -14.008 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -4.609 -7.658 -13.908 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -3.573 -9.035 -13.594 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -5.039 -9.553 -16.014 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -4.364 -7.939 -16.117 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -2.224 -9.302 -15.078 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -2.982 -10.575 -16.014 1.00 25.52 H new ATOM 0 HE ARG A 13 -2.212 -9.556 -17.943 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -2.432 -7.169 -15.349 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -1.728 -5.875 -16.324 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -1.306 -7.887 -19.188 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -1.094 -6.279 -18.487 1.00 54.31 H new ATOM 226 N VAL A 14 -4.828 -11.727 -13.132 1.00 22.42 N ATOM 227 CA VAL A 14 -4.637 -13.151 -13.380 1.00 65.13 C ATOM 228 C VAL A 14 -5.967 -13.846 -13.648 1.00 11.41 C ATOM 229 O VAL A 14 -6.104 -14.596 -14.612 1.00 11.41 O ATOM 230 CB VAL A 14 -3.940 -13.839 -12.192 1.00 21.10 C ATOM 231 CG1 VAL A 14 -3.802 -15.333 -12.446 1.00 11.02 C ATOM 232 CG2 VAL A 14 -2.583 -13.207 -11.931 1.00 61.14 C ATOM 0 H VAL A 14 -4.364 -11.379 -12.293 1.00 22.42 H new ATOM 0 HA VAL A 14 -4.003 -13.236 -14.262 1.00 65.13 H new ATOM 0 HB VAL A 14 -4.556 -13.701 -11.303 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -3.307 -15.802 -11.596 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -4.791 -15.772 -12.578 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -3.209 -15.496 -13.346 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -2.105 -13.706 -11.088 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -1.957 -13.311 -12.817 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -2.712 -12.150 -11.701 1.00 61.14 H new ATOM 242 N GLY A 15 -6.946 -13.588 -12.786 1.00 21.44 N ATOM 243 CA GLY A 15 -8.255 -14.196 -12.946 1.00 52.30 C ATOM 244 C GLY A 15 -9.169 -13.379 -13.839 1.00 73.25 C ATOM 245 O GLY A 15 -10.376 -13.611 -13.880 1.00 42.21 O ATOM 0 H GLY A 15 -6.856 -12.969 -11.980 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -8.139 -15.195 -13.367 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.719 -14.314 -11.967 1.00 52.30 H new ATOM 249 N ALA A 16 -8.591 -12.418 -14.551 1.00 11.20 N ATOM 250 CA ALA A 16 -9.362 -11.564 -15.446 1.00 51.25 C ATOM 251 C ALA A 16 -8.821 -11.631 -16.871 1.00 3.23 C ATOM 252 O ALA A 16 -9.281 -10.909 -17.755 1.00 4.14 O ATOM 253 CB ALA A 16 -9.352 -10.127 -14.945 1.00 14.21 C ATOM 0 H ALA A 16 -7.593 -12.211 -14.526 1.00 11.20 H new ATOM 0 HA ALA A 16 -10.390 -11.927 -15.457 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.932 -9.501 -15.623 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.792 -10.086 -13.948 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -8.325 -9.763 -14.904 1.00 14.21 H new ATOM 259 N VAL A 17 -7.840 -12.502 -17.086 1.00 61.40 N ATOM 260 CA VAL A 17 -7.236 -12.663 -18.403 1.00 25.41 C ATOM 261 C VAL A 17 -8.301 -12.876 -19.473 1.00 62.03 C ATOM 262 O VAL A 17 -9.268 -13.609 -19.265 1.00 65.32 O ATOM 263 CB VAL A 17 -6.254 -13.851 -18.429 1.00 5.11 C ATOM 264 CG1 VAL A 17 -5.930 -14.245 -19.861 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.987 -13.509 -17.661 1.00 53.34 C ATOM 0 H VAL A 17 -7.447 -13.107 -16.365 1.00 61.40 H new ATOM 0 HA VAL A 17 -6.689 -11.744 -18.615 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.728 -14.704 -17.943 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -5.236 -15.085 -19.859 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -6.847 -14.533 -20.375 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -5.475 -13.399 -20.377 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -4.304 -14.358 -17.689 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.508 -12.643 -18.117 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -5.240 -13.281 -16.626 1.00 53.34 H new ATOM 275 N ASP A 18 -8.117 -12.231 -20.619 1.00 53.03 N ATOM 276 CA ASP A 18 -9.060 -12.349 -21.725 1.00 53.12 C ATOM 277 C ASP A 18 -8.507 -13.258 -22.817 1.00 33.02 C ATOM 278 O ASP A 18 -7.310 -13.265 -23.105 1.00 11.13 O ATOM 279 CB ASP A 18 -9.377 -10.970 -22.304 1.00 41.05 C ATOM 280 CG ASP A 18 -10.382 -10.207 -21.464 1.00 3.44 C ATOM 281 OD1 ASP A 18 -10.085 -9.054 -21.084 1.00 41.35 O ATOM 282 OD2 ASP A 18 -11.466 -10.760 -21.188 1.00 43.50 O1- ATOM 0 H ASP A 18 -7.322 -11.620 -20.807 1.00 53.03 H new ATOM 0 HA ASP A 18 -9.978 -12.792 -21.340 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -8.457 -10.391 -22.380 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -9.766 -11.085 -23.316 1.00 41.05 H new ATOM 287 N PRO A 19 -9.396 -14.046 -23.440 1.00 61.33 N ATOM 288 CA PRO A 19 -9.019 -14.974 -24.510 1.00 24.45 C ATOM 289 C PRO A 19 -8.616 -14.250 -25.790 1.00 52.45 C ATOM 290 O PRO A 19 -8.018 -14.843 -26.687 1.00 60.01 O ATOM 291 CB PRO A 19 -10.293 -15.792 -24.736 1.00 44.51 C ATOM 292 CG PRO A 19 -11.399 -14.902 -24.282 1.00 61.04 C ATOM 293 CD PRO A 19 -10.839 -14.090 -23.147 1.00 65.12 C ATOM 0 HA PRO A 19 -8.152 -15.577 -24.240 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -10.408 -16.063 -25.785 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -10.273 -16.721 -24.167 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -11.738 -14.257 -25.093 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -12.260 -15.485 -23.957 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -11.273 -13.091 -23.115 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -11.039 -14.556 -22.182 1.00 65.12 H new ATOM 301 N ASN A 20 -8.948 -12.966 -25.867 1.00 14.21 N ATOM 302 CA ASN A 20 -8.621 -12.161 -27.039 1.00 51.20 C ATOM 303 C ASN A 20 -7.115 -11.942 -27.144 1.00 32.21 C ATOM 304 O ASN A 20 -6.552 -11.951 -28.238 1.00 25.02 O ATOM 305 CB ASN A 20 -9.341 -10.812 -26.974 1.00 64.43 C ATOM 306 CG ASN A 20 -10.509 -10.734 -27.937 1.00 2.35 C ATOM 307 OD1 ASN A 20 -10.529 -9.896 -28.838 1.00 4.13 O ATOM 308 ND2 ASN A 20 -11.490 -11.609 -27.750 1.00 52.44 N ATOM 0 H ASN A 20 -9.443 -12.460 -25.132 1.00 14.21 H new ATOM 0 HA ASN A 20 -8.955 -12.701 -27.925 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -9.699 -10.643 -25.958 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -8.633 -10.014 -27.200 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -12.302 -11.604 -28.367 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -11.431 -12.286 -26.990 1.00 52.44 H new ATOM 315 N GLY A 21 -6.469 -11.746 -25.999 1.00 50.52 N ATOM 316 CA GLY A 21 -5.034 -11.528 -25.985 1.00 62.51 C ATOM 317 C GLY A 21 -4.251 -12.825 -25.920 1.00 11.23 C ATOM 318 O GLY A 21 -3.916 -13.424 -26.943 1.00 25.24 O ATOM 0 H GLY A 21 -6.913 -11.734 -25.081 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -4.745 -10.977 -26.880 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -4.772 -10.906 -25.129 1.00 62.51 H new ATOM 322 N PRO A 22 -3.946 -13.277 -24.695 1.00 62.45 N ATOM 323 CA PRO A 22 -3.193 -14.515 -24.472 1.00 23.24 C ATOM 324 C PRO A 22 -3.998 -15.757 -24.837 1.00 51.52 C ATOM 325 O PRO A 22 -5.229 -15.740 -24.810 1.00 44.23 O ATOM 326 CB PRO A 22 -2.902 -14.488 -22.970 1.00 44.15 C ATOM 327 CG PRO A 22 -3.986 -13.647 -22.390 1.00 54.42 C ATOM 328 CD PRO A 22 -4.313 -12.614 -23.433 1.00 52.42 C ATOM 0 HA PRO A 22 -2.298 -14.565 -25.092 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -2.911 -15.492 -22.547 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -1.919 -14.064 -22.765 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -4.862 -14.250 -22.150 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -3.660 -13.176 -21.463 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -5.369 -12.343 -23.413 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -3.745 -11.696 -23.281 1.00 52.42 H new ATOM 336 N ARG A 23 -3.297 -16.833 -25.177 1.00 3.14 N ATOM 337 CA ARG A 23 -3.948 -18.084 -25.546 1.00 53.14 C ATOM 338 C ARG A 23 -3.632 -19.182 -24.534 1.00 53.31 C ATOM 339 O ARG A 23 -2.735 -19.036 -23.703 1.00 11.32 O ATOM 340 CB ARG A 23 -3.504 -18.521 -26.943 1.00 65.52 C ATOM 341 CG ARG A 23 -4.551 -18.280 -28.019 1.00 43.32 C ATOM 342 CD ARG A 23 -5.085 -16.857 -27.967 1.00 4.23 C ATOM 343 NE ARG A 23 -4.941 -16.171 -29.249 1.00 13.13 N ATOM 344 CZ ARG A 23 -5.630 -16.494 -30.337 1.00 63.53 C ATOM 345 NH1 ARG A 23 -6.509 -17.487 -30.298 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -5.443 -15.824 -31.466 1.00 32.33 N ATOM 0 H ARG A 23 -2.278 -16.864 -25.205 1.00 3.14 H new ATOM 0 HA ARG A 23 -5.025 -17.916 -25.549 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.592 -17.986 -27.209 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -3.256 -19.582 -26.921 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -4.117 -18.471 -29.000 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -5.374 -18.984 -27.892 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -6.137 -16.875 -27.681 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -4.555 -16.299 -27.196 1.00 4.23 H new ATOM 0 HE ARG A 23 -4.274 -15.402 -29.312 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -6.656 -18.004 -29.431 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -7.037 -17.734 -31.135 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -4.769 -15.059 -31.499 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -5.973 -16.074 -32.301 1.00 32.33 H new ATOM 360 N LYS A 24 -4.375 -20.281 -24.610 1.00 71.13 N ATOM 361 CA LYS A 24 -4.175 -21.404 -23.702 1.00 41.04 C ATOM 362 C LYS A 24 -2.697 -21.764 -23.600 1.00 22.22 C ATOM 363 O LYS A 24 -2.128 -22.362 -24.513 1.00 21.24 O ATOM 364 CB LYS A 24 -4.975 -22.619 -24.177 1.00 44.53 C ATOM 365 CG LYS A 24 -6.398 -22.656 -23.646 1.00 62.53 C ATOM 366 CD LYS A 24 -7.338 -23.347 -24.619 1.00 63.55 C ATOM 367 CE LYS A 24 -6.932 -24.794 -24.856 1.00 34.31 C ATOM 368 NZ LYS A 24 -8.033 -25.740 -24.522 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.121 -20.418 -25.291 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.528 -21.108 -22.714 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -5.003 -22.622 -25.267 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -4.457 -23.527 -23.869 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.417 -23.177 -22.689 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -6.746 -21.639 -23.463 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -8.355 -23.313 -24.230 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -7.341 -22.809 -25.567 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -6.645 -24.925 -25.899 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -6.055 -25.029 -24.252 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -7.718 -26.715 -24.697 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -8.290 -25.634 -23.520 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -8.861 -25.532 -25.116 1.00 63.14 H new ATOM 382 N VAL A 25 -2.079 -21.397 -22.481 1.00 32.25 N ATOM 383 CA VAL A 25 -0.667 -21.684 -22.258 1.00 72.11 C ATOM 384 C VAL A 25 -0.485 -22.723 -21.158 1.00 51.12 C ATOM 385 O VAL A 25 -1.446 -23.123 -20.500 1.00 43.45 O ATOM 386 CB VAL A 25 0.111 -20.410 -21.879 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.223 -19.476 -23.075 1.00 11.11 C ATOM 388 CG2 VAL A 25 -0.555 -19.708 -20.704 1.00 3.14 C ATOM 0 H VAL A 25 -2.534 -20.900 -21.715 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.272 -22.077 -23.195 1.00 72.11 H new ATOM 0 HB VAL A 25 1.118 -20.697 -21.577 1.00 34.14 H new ATOM 0 HG11 VAL A 25 0.776 -18.582 -22.788 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.748 -19.983 -23.885 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.775 -19.194 -23.411 1.00 11.11 H new ATOM 0 HG21 VAL A 25 0.008 -18.810 -20.450 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -1.574 -19.433 -20.975 1.00 3.14 H new ATOM 0 HG23 VAL A 25 -0.577 -20.378 -19.845 1.00 3.14 H new ATOM 398 N LEU A 26 0.755 -23.160 -20.964 1.00 52.13 N ATOM 399 CA LEU A 26 1.065 -24.154 -19.943 1.00 53.31 C ATOM 400 C LEU A 26 2.386 -23.831 -19.251 1.00 41.52 C ATOM 401 O LEU A 26 3.284 -23.242 -19.851 1.00 23.31 O ATOM 402 CB LEU A 26 1.130 -25.550 -20.565 1.00 34.22 C ATOM 403 CG LEU A 26 2.314 -25.816 -21.495 1.00 5.53 C ATOM 404 CD1 LEU A 26 3.227 -26.881 -20.908 1.00 50.53 C ATOM 405 CD2 LEU A 26 1.826 -26.232 -22.875 1.00 1.25 C ATOM 0 H LEU A 26 1.562 -22.841 -21.501 1.00 52.13 H new ATOM 0 HA LEU A 26 0.271 -24.132 -19.197 1.00 53.31 H new ATOM 0 HB2 LEU A 26 1.154 -26.284 -19.760 1.00 34.22 H new ATOM 0 HB3 LEU A 26 0.210 -25.720 -21.124 1.00 34.22 H new ATOM 0 HG LEU A 26 2.885 -24.893 -21.596 1.00 5.53 H new ATOM 0 HD11 LEU A 26 4.064 -27.056 -21.584 1.00 50.53 H new ATOM 0 HD12 LEU A 26 3.605 -26.544 -19.943 1.00 50.53 H new ATOM 0 HD13 LEU A 26 2.668 -27.807 -20.775 1.00 50.53 H new ATOM 0 HD21 LEU A 26 2.682 -26.417 -23.523 1.00 1.25 H new ATOM 0 HD22 LEU A 26 1.231 -27.141 -22.792 1.00 1.25 H new ATOM 0 HD23 LEU A 26 1.215 -25.436 -23.300 1.00 1.25 H new ATOM 417 N GLY A 27 2.498 -24.223 -17.985 1.00 11.13 N ATOM 418 CA GLY A 27 3.712 -23.968 -17.234 1.00 74.50 C ATOM 419 C GLY A 27 3.445 -23.257 -15.922 1.00 72.22 C ATOM 420 O GLY A 27 2.293 -23.099 -15.517 1.00 33.15 O ATOM 0 H GLY A 27 1.769 -24.713 -17.467 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.217 -24.913 -17.035 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.390 -23.365 -17.839 1.00 74.50 H new ATOM 424 N VAL A 28 4.511 -22.826 -15.256 1.00 0.31 N ATOM 425 CA VAL A 28 4.386 -22.128 -13.982 1.00 11.43 C ATOM 426 C VAL A 28 5.464 -21.061 -13.832 1.00 12.21 C ATOM 427 O VAL A 28 6.552 -21.178 -14.397 1.00 72.43 O ATOM 428 CB VAL A 28 4.479 -23.106 -12.795 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.753 -22.543 -11.583 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.915 -24.465 -13.180 1.00 65.50 C ATOM 0 H VAL A 28 5.471 -22.948 -15.578 1.00 0.31 H new ATOM 0 HA VAL A 28 3.405 -21.653 -13.976 1.00 11.43 H new ATOM 0 HB VAL A 28 5.529 -23.235 -12.533 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.829 -23.247 -10.754 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.206 -21.594 -11.296 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.703 -22.384 -11.829 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.989 -25.143 -12.330 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.869 -24.357 -13.468 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.482 -24.870 -14.018 1.00 65.50 H new ATOM 440 N PHE A 29 5.155 -20.020 -13.068 1.00 21.24 N ATOM 441 CA PHE A 29 6.097 -18.929 -12.843 1.00 24.31 C ATOM 442 C PHE A 29 6.387 -18.757 -11.354 1.00 74.32 C ATOM 443 O PHE A 29 5.519 -18.990 -10.513 1.00 14.41 O ATOM 444 CB PHE A 29 5.546 -17.624 -13.421 1.00 62.43 C ATOM 445 CG PHE A 29 5.378 -17.653 -14.913 1.00 74.23 C ATOM 446 CD1 PHE A 29 6.339 -18.241 -15.721 1.00 73.12 C ATOM 447 CD2 PHE A 29 4.260 -17.091 -15.508 1.00 0.33 C ATOM 448 CE1 PHE A 29 6.186 -18.270 -17.094 1.00 43.11 C ATOM 449 CE2 PHE A 29 4.102 -17.118 -16.881 1.00 64.12 C ATOM 450 CZ PHE A 29 5.067 -17.706 -17.675 1.00 52.54 C ATOM 0 H PHE A 29 4.259 -19.908 -12.593 1.00 21.24 H new ATOM 0 HA PHE A 29 7.029 -19.178 -13.350 1.00 24.31 H new ATOM 0 HB2 PHE A 29 4.582 -17.410 -12.959 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.216 -16.807 -13.155 1.00 62.43 H new ATOM 0 HD1 PHE A 29 7.217 -18.681 -15.272 1.00 73.12 H new ATOM 0 HD2 PHE A 29 3.504 -16.627 -14.892 1.00 0.33 H new ATOM 0 HE1 PHE A 29 6.941 -18.733 -17.712 1.00 43.11 H new ATOM 0 HE2 PHE A 29 3.224 -16.680 -17.333 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.947 -17.725 -18.748 1.00 52.54 H new ATOM 460 N GLN A 30 7.611 -18.350 -11.039 1.00 73.10 N ATOM 461 CA GLN A 30 8.016 -18.149 -9.653 1.00 2.03 C ATOM 462 C GLN A 30 8.520 -16.726 -9.434 1.00 32.14 C ATOM 463 O GLN A 30 9.694 -16.431 -9.659 1.00 10.04 O ATOM 464 CB GLN A 30 9.102 -19.153 -9.265 1.00 11.10 C ATOM 465 CG GLN A 30 9.369 -19.212 -7.769 1.00 21.52 C ATOM 466 CD GLN A 30 8.096 -19.312 -6.952 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.168 -20.035 -7.314 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.046 -18.584 -5.842 1.00 1.20 N ATOM 0 H GLN A 30 8.340 -18.153 -11.724 1.00 73.10 H new ATOM 0 HA GLN A 30 7.143 -18.307 -9.020 1.00 2.03 H new ATOM 0 HB2 GLN A 30 8.810 -20.144 -9.613 1.00 11.10 H new ATOM 0 HB3 GLN A 30 10.026 -18.893 -9.781 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.004 -20.070 -7.551 1.00 21.52 H new ATOM 0 HG3 GLN A 30 9.921 -18.322 -7.467 1.00 21.52 H new ATOM 0 HE21 GLN A 30 8.839 -17.998 -5.580 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.215 -18.611 -5.252 1.00 1.20 H new ATOM 477 N LEU A 31 7.626 -15.847 -8.993 1.00 65.02 N ATOM 478 CA LEU A 31 7.981 -14.454 -8.744 1.00 54.50 C ATOM 479 C LEU A 31 8.619 -14.293 -7.368 1.00 53.24 C ATOM 480 O LEU A 31 8.089 -14.773 -6.367 1.00 13.04 O ATOM 481 CB LEU A 31 6.740 -13.566 -8.850 1.00 52.25 C ATOM 482 CG LEU A 31 6.757 -12.287 -8.012 1.00 62.25 C ATOM 483 CD1 LEU A 31 7.893 -11.375 -8.450 1.00 62.41 C ATOM 484 CD2 LEU A 31 5.422 -11.564 -8.114 1.00 64.43 C ATOM 0 H LEU A 31 6.650 -16.074 -8.801 1.00 65.02 H new ATOM 0 HA LEU A 31 8.706 -14.148 -9.498 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.604 -13.290 -9.896 1.00 52.25 H new ATOM 0 HB3 LEU A 31 5.870 -14.155 -8.560 1.00 52.25 H new ATOM 0 HG LEU A 31 6.921 -12.562 -6.970 1.00 62.25 H new ATOM 0 HD11 LEU A 31 7.888 -10.470 -7.842 1.00 62.41 H new ATOM 0 HD12 LEU A 31 8.844 -11.892 -8.324 1.00 62.41 H new ATOM 0 HD13 LEU A 31 7.762 -11.108 -9.499 1.00 62.41 H new ATOM 0 HD21 LEU A 31 5.453 -10.656 -7.511 1.00 64.43 H new ATOM 0 HD22 LEU A 31 5.228 -11.302 -9.154 1.00 64.43 H new ATOM 0 HD23 LEU A 31 4.627 -12.215 -7.750 1.00 64.43 H new ATOM 496 N ASN A 32 9.761 -13.613 -7.327 1.00 55.44 N ATOM 497 CA ASN A 32 10.471 -13.386 -6.074 1.00 63.23 C ATOM 498 C ASN A 32 10.718 -11.898 -5.850 1.00 53.21 C ATOM 499 O ASN A 32 11.119 -11.180 -6.768 1.00 30.12 O ATOM 500 CB ASN A 32 11.801 -14.142 -6.073 1.00 15.22 C ATOM 501 CG ASN A 32 11.663 -15.556 -6.604 1.00 74.20 C ATOM 502 OD1 ASN A 32 10.588 -16.152 -6.542 1.00 54.54 O ATOM 503 ND2 ASN A 32 12.755 -16.100 -7.130 1.00 41.33 N ATOM 0 H ASN A 32 10.214 -13.210 -8.147 1.00 55.44 H new ATOM 0 HA ASN A 32 9.849 -13.759 -5.260 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.525 -13.598 -6.679 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.196 -14.175 -5.058 1.00 15.22 H new ATOM 0 HD21 ASN A 32 12.723 -17.049 -7.503 1.00 41.33 H new ATOM 0 HD22 ASN A 32 13.625 -15.569 -7.161 1.00 41.33 H new ATOM 510 N ILE A 33 10.477 -11.441 -4.626 1.00 31.21 N ATOM 511 CA ILE A 33 10.676 -10.039 -4.282 1.00 31.14 C ATOM 512 C ILE A 33 11.633 -9.891 -3.104 1.00 52.44 C ATOM 513 O ILE A 33 11.459 -10.526 -2.063 1.00 11.10 O ATOM 514 CB ILE A 33 9.343 -9.350 -3.933 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.357 -9.482 -5.096 1.00 12.13 C ATOM 516 CG2 ILE A 33 9.576 -7.886 -3.592 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.542 -10.755 -5.056 1.00 72.22 C ATOM 0 H ILE A 33 10.144 -12.021 -3.856 1.00 31.21 H new ATOM 0 HA ILE A 33 11.107 -9.558 -5.160 1.00 31.14 H new ATOM 0 HB ILE A 33 8.914 -9.841 -3.060 1.00 13.11 H new ATOM 0 HG12 ILE A 33 7.681 -8.627 -5.087 1.00 12.13 H new ATOM 0 HG13 ILE A 33 8.908 -9.443 -6.035 1.00 12.13 H new ATOM 0 HG21 ILE A 33 8.625 -7.413 -3.348 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.247 -7.814 -2.736 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.023 -7.380 -4.447 1.00 60.34 H new ATOM 0 HD11 ILE A 33 6.865 -10.781 -5.910 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.210 -11.616 -5.096 1.00 72.22 H new ATOM 0 HD13 ILE A 33 6.963 -10.787 -4.133 1.00 72.22 H new ATOM 529 N LYS A 34 12.647 -9.050 -3.274 1.00 22.24 N ATOM 530 CA LYS A 34 13.633 -8.815 -2.225 1.00 23.21 C ATOM 531 C LYS A 34 12.998 -8.111 -1.030 1.00 44.34 C ATOM 532 O LYS A 34 12.038 -7.355 -1.180 1.00 15.11 O ATOM 533 CB LYS A 34 14.795 -7.979 -2.767 1.00 53.34 C ATOM 534 CG LYS A 34 15.873 -8.805 -3.448 1.00 41.43 C ATOM 535 CD LYS A 34 16.138 -8.316 -4.862 1.00 33.21 C ATOM 536 CE LYS A 34 17.503 -8.764 -5.360 1.00 40.23 C ATOM 537 NZ LYS A 34 17.486 -9.083 -6.814 1.00 30.42 N1+ ATOM 0 H LYS A 34 12.808 -8.519 -4.130 1.00 22.24 H new ATOM 0 HA LYS A 34 14.013 -9.781 -1.894 1.00 23.21 H new ATOM 0 HB2 LYS A 34 14.406 -7.249 -3.477 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.243 -7.419 -1.946 1.00 53.34 H new ATOM 0 HG2 LYS A 34 16.793 -8.755 -2.866 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.569 -9.851 -3.475 1.00 41.43 H new ATOM 0 HD2 LYS A 34 15.364 -8.694 -5.530 1.00 33.21 H new ATOM 0 HD3 LYS A 34 16.079 -7.228 -4.889 1.00 33.21 H new ATOM 0 HE2 LYS A 34 18.235 -7.979 -5.169 1.00 40.23 H new ATOM 0 HE3 LYS A 34 17.824 -9.642 -4.799 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 18.435 -9.384 -7.114 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 16.806 -9.850 -6.993 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 17.205 -8.238 -7.351 1.00 30.42 H new ATOM 551 N THR A 35 13.542 -8.364 0.156 1.00 41.14 N ATOM 552 CA THR A 35 13.029 -7.754 1.377 1.00 62.04 C ATOM 553 C THR A 35 14.156 -7.465 2.363 1.00 21.21 C ATOM 554 O THR A 35 15.310 -7.817 2.121 1.00 42.41 O ATOM 555 CB THR A 35 11.983 -8.656 2.059 1.00 73.14 C ATOM 556 OG1 THR A 35 12.638 -9.705 2.780 1.00 74.33 O ATOM 557 CG2 THR A 35 11.033 -9.254 1.034 1.00 21.11 C ATOM 0 H THR A 35 14.337 -8.987 0.297 1.00 41.14 H new ATOM 0 HA THR A 35 12.555 -6.816 1.087 1.00 62.04 H new ATOM 0 HB THR A 35 11.405 -8.045 2.752 1.00 73.14 H new ATOM 0 HG1 THR A 35 11.967 -10.273 3.212 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.304 -9.887 1.540 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.515 -8.453 0.507 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.598 -9.852 0.319 1.00 21.11 H new ATOM 565 N ALA A 36 13.813 -6.823 3.475 1.00 32.44 N ATOM 566 CA ALA A 36 14.796 -6.490 4.498 1.00 70.24 C ATOM 567 C ALA A 36 15.122 -7.704 5.362 1.00 54.21 C ATOM 568 O ALA A 36 16.120 -7.715 6.081 1.00 10.51 O ATOM 569 CB ALA A 36 14.290 -5.345 5.362 1.00 11.33 C ATOM 0 H ALA A 36 12.862 -6.523 3.690 1.00 32.44 H new ATOM 0 HA ALA A 36 15.713 -6.176 3.998 1.00 70.24 H new ATOM 0 HB1 ALA A 36 15.034 -5.106 6.122 1.00 11.33 H new ATOM 0 HB2 ALA A 36 14.115 -4.469 4.738 1.00 11.33 H new ATOM 0 HB3 ALA A 36 13.358 -5.638 5.846 1.00 11.33 H new ATOM 575 N SER A 37 14.272 -8.723 5.286 1.00 12.43 N ATOM 576 CA SER A 37 14.468 -9.940 6.066 1.00 24.12 C ATOM 577 C SER A 37 14.703 -11.138 5.151 1.00 71.45 C ATOM 578 O SER A 37 14.683 -12.286 5.595 1.00 35.33 O ATOM 579 CB SER A 37 13.254 -10.198 6.961 1.00 74.34 C ATOM 580 OG SER A 37 13.454 -11.343 7.773 1.00 31.32 O ATOM 0 H SER A 37 13.442 -8.730 4.693 1.00 12.43 H new ATOM 0 HA SER A 37 15.350 -9.804 6.692 1.00 24.12 H new ATOM 0 HB2 SER A 37 13.072 -9.328 7.592 1.00 74.34 H new ATOM 0 HB3 SER A 37 12.366 -10.336 6.344 1.00 74.34 H new ATOM 0 HG SER A 37 13.983 -12.005 7.281 1.00 31.32 H new ATOM 586 N GLY A 38 14.927 -10.862 3.869 1.00 20.32 N ATOM 587 CA GLY A 38 15.163 -11.926 2.911 1.00 11.02 C ATOM 588 C GLY A 38 14.457 -11.685 1.591 1.00 44.13 C ATOM 589 O GLY A 38 14.578 -10.613 1.001 1.00 2.10 O ATOM 0 H GLY A 38 14.949 -9.920 3.477 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.234 -12.021 2.734 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.825 -12.872 3.333 1.00 11.02 H new ATOM 593 N VAL A 39 13.718 -12.687 1.126 1.00 25.01 N ATOM 594 CA VAL A 39 12.990 -12.580 -0.132 1.00 53.13 C ATOM 595 C VAL A 39 11.653 -13.308 -0.058 1.00 4.40 C ATOM 596 O VAL A 39 11.552 -14.382 0.534 1.00 12.03 O ATOM 597 CB VAL A 39 13.809 -13.152 -1.305 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.788 -14.672 -1.280 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.282 -12.625 -2.630 1.00 44.20 C ATOM 0 H VAL A 39 13.608 -13.582 1.602 1.00 25.01 H new ATOM 0 HA VAL A 39 12.813 -11.519 -0.305 1.00 53.13 H new ATOM 0 HB VAL A 39 14.843 -12.825 -1.196 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.372 -15.058 -2.116 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.218 -15.026 -0.343 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.759 -15.023 -1.363 1.00 45.01 H new ATOM 0 HG21 VAL A 39 13.872 -13.039 -3.447 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.239 -12.919 -2.750 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.356 -11.538 -2.644 1.00 44.20 H new ATOM 609 N GLU A 40 10.628 -12.716 -0.665 1.00 32.42 N ATOM 610 CA GLU A 40 9.296 -13.310 -0.667 1.00 60.10 C ATOM 611 C GLU A 40 9.059 -14.109 -1.945 1.00 42.53 C ATOM 612 O GLU A 40 9.175 -13.579 -3.050 1.00 20.13 O ATOM 613 CB GLU A 40 8.229 -12.222 -0.526 1.00 24.13 C ATOM 614 CG GLU A 40 8.414 -11.344 0.700 1.00 11.04 C ATOM 615 CD GLU A 40 7.255 -11.450 1.673 1.00 24.31 C ATOM 616 OE1 GLU A 40 6.750 -12.575 1.873 1.00 60.43 O ATOM 617 OE2 GLU A 40 6.854 -10.410 2.234 1.00 55.13 O1- ATOM 0 H GLU A 40 10.695 -11.827 -1.161 1.00 32.42 H new ATOM 0 HA GLU A 40 9.227 -13.989 0.183 1.00 60.10 H new ATOM 0 HB2 GLU A 40 8.242 -11.595 -1.417 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.247 -12.692 -0.481 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.337 -11.625 1.208 1.00 11.04 H new ATOM 0 HG3 GLU A 40 8.526 -10.306 0.386 1.00 11.04 H new ATOM 624 N GLN A 41 8.726 -15.386 -1.785 1.00 42.11 N ATOM 625 CA GLN A 41 8.473 -16.258 -2.925 1.00 75.52 C ATOM 626 C GLN A 41 6.992 -16.263 -3.289 1.00 53.35 C ATOM 627 O GLN A 41 6.128 -16.188 -2.415 1.00 61.42 O ATOM 628 CB GLN A 41 8.940 -17.682 -2.619 1.00 53.24 C ATOM 629 CG GLN A 41 10.448 -17.807 -2.470 1.00 24.20 C ATOM 630 CD GLN A 41 11.119 -18.305 -3.735 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.471 -18.872 -4.614 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.428 -18.094 -3.833 1.00 4.21 N ATOM 0 H GLN A 41 8.625 -15.839 -0.877 1.00 42.11 H new ATOM 0 HA GLN A 41 9.036 -15.874 -3.776 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.463 -18.023 -1.700 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.606 -18.345 -3.417 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.864 -16.837 -2.200 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.673 -18.490 -1.651 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.926 -17.619 -3.080 1.00 4.21 H new ATOM 0 HE22 GLN A 41 12.934 -18.407 -4.661 1.00 4.21 H new ATOM 641 N TRP A 42 6.706 -16.353 -4.582 1.00 43.02 N ATOM 642 CA TRP A 42 5.328 -16.367 -5.061 1.00 5.44 C ATOM 643 C TRP A 42 5.178 -17.299 -6.259 1.00 60.44 C ATOM 644 O TRP A 42 6.019 -17.309 -7.158 1.00 11.52 O ATOM 645 CB TRP A 42 4.882 -14.954 -5.440 1.00 34.30 C ATOM 646 CG TRP A 42 4.884 -14.001 -4.283 1.00 73.05 C ATOM 647 CD1 TRP A 42 5.927 -13.228 -3.859 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.792 -13.723 -3.400 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.549 -12.485 -2.767 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.243 -12.770 -2.466 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.475 -14.184 -3.309 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.425 -12.274 -1.455 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.665 -13.690 -2.305 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.141 -12.742 -1.389 1.00 22.13 C ATOM 0 H TRP A 42 7.409 -16.417 -5.318 1.00 43.02 H new ATOM 0 HA TRP A 42 4.694 -16.736 -4.255 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.540 -14.570 -6.219 1.00 34.30 H new ATOM 0 HB3 TRP A 42 3.879 -14.999 -5.863 1.00 34.30 H new ATOM 0 HD1 TRP A 42 6.906 -13.204 -4.315 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.144 -11.828 -2.262 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.098 -14.913 -4.011 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.791 -11.545 -0.747 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.647 -14.041 -2.224 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.482 -12.374 -0.617 1.00 22.13 H new ATOM 665 N ILE A 43 4.102 -18.079 -6.265 1.00 22.22 N ATOM 666 CA ILE A 43 3.843 -19.013 -7.354 1.00 14.53 C ATOM 667 C ILE A 43 2.715 -18.513 -8.250 1.00 73.12 C ATOM 668 O ILE A 43 1.586 -18.325 -7.798 1.00 34.33 O ATOM 669 CB ILE A 43 3.479 -20.412 -6.822 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.570 -20.923 -5.879 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.272 -21.381 -7.976 1.00 31.11 C ATOM 672 CD1 ILE A 43 4.095 -21.123 -4.456 1.00 2.14 C ATOM 0 H ILE A 43 3.396 -18.083 -5.529 1.00 22.22 H new ATOM 0 HA ILE A 43 4.762 -19.082 -7.935 1.00 14.53 H new ATOM 0 HB ILE A 43 2.546 -20.340 -6.263 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.955 -21.868 -6.261 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.400 -20.217 -5.880 1.00 31.22 H new ATOM 0 HG21 ILE A 43 3.015 -22.365 -7.583 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.463 -21.022 -8.612 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.189 -21.452 -8.561 1.00 31.11 H new ATOM 0 HD11 ILE A 43 4.921 -21.486 -3.844 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.737 -20.175 -4.055 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.285 -21.852 -4.442 1.00 2.14 H new ATOM 684 N VAL A 44 3.029 -18.300 -9.524 1.00 32.54 N ATOM 685 CA VAL A 44 2.041 -17.825 -10.485 1.00 1.41 C ATOM 686 C VAL A 44 1.927 -18.776 -11.672 1.00 62.00 C ATOM 687 O VAL A 44 2.776 -18.778 -12.563 1.00 64.24 O ATOM 688 CB VAL A 44 2.394 -16.417 -11.002 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.616 -15.357 -10.237 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.892 -16.171 -10.897 1.00 14.24 C ATOM 0 H VAL A 44 3.960 -18.449 -9.914 1.00 32.54 H new ATOM 0 HA VAL A 44 1.085 -17.784 -9.963 1.00 1.41 H new ATOM 0 HB VAL A 44 2.112 -16.353 -12.053 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.878 -14.369 -10.616 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.547 -15.524 -10.369 1.00 0.24 H new ATOM 0 HG13 VAL A 44 1.865 -15.417 -9.177 1.00 0.24 H new ATOM 0 HG21 VAL A 44 4.123 -15.172 -11.266 1.00 14.24 H new ATOM 0 HG22 VAL A 44 4.202 -16.254 -9.855 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.425 -16.911 -11.494 1.00 14.24 H new ATOM 700 N ASP A 45 0.872 -19.583 -11.676 1.00 45.32 N ATOM 701 CA ASP A 45 0.644 -20.538 -12.754 1.00 21.31 C ATOM 702 C ASP A 45 -0.038 -19.866 -13.941 1.00 43.53 C ATOM 703 O ASP A 45 -0.750 -18.873 -13.781 1.00 12.42 O ATOM 704 CB ASP A 45 -0.207 -21.707 -12.256 1.00 64.12 C ATOM 705 CG ASP A 45 -1.250 -22.138 -13.270 1.00 63.33 C ATOM 706 OD1 ASP A 45 -2.289 -21.453 -13.378 1.00 21.05 O ATOM 707 OD2 ASP A 45 -1.026 -23.157 -13.954 1.00 51.12 O1- ATOM 0 H ASP A 45 0.161 -19.595 -10.945 1.00 45.32 H new ATOM 0 HA ASP A 45 1.612 -20.916 -13.082 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.442 -22.552 -12.025 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.703 -21.422 -11.328 1.00 64.12 H new ATOM 712 N LEU A 46 0.185 -20.411 -15.132 1.00 52.01 N ATOM 713 CA LEU A 46 -0.407 -19.864 -16.347 1.00 33.22 C ATOM 714 C LEU A 46 -1.431 -20.828 -16.936 1.00 13.22 C ATOM 715 O LEU A 46 -2.201 -20.467 -17.827 1.00 72.41 O ATOM 716 CB LEU A 46 0.683 -19.566 -17.380 1.00 61.21 C ATOM 717 CG LEU A 46 1.778 -20.623 -17.523 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.288 -20.673 -18.955 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.921 -20.341 -16.558 1.00 32.43 C ATOM 0 H LEU A 46 0.772 -21.232 -15.282 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.917 -18.936 -16.087 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.208 -19.430 -18.351 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.153 -18.618 -17.120 1.00 61.21 H new ATOM 0 HG LEU A 46 1.352 -21.595 -17.276 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.067 -21.431 -19.038 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.466 -20.923 -19.626 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.697 -19.701 -19.230 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.691 -21.103 -16.674 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.346 -19.360 -16.773 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.546 -20.357 -15.535 1.00 32.43 H new ATOM 731 N LYS A 47 -1.436 -22.057 -16.432 1.00 32.14 N ATOM 732 CA LYS A 47 -2.368 -23.075 -16.905 1.00 73.41 C ATOM 733 C LYS A 47 -3.800 -22.728 -16.506 1.00 25.15 C ATOM 734 O LYS A 47 -4.704 -22.734 -17.341 1.00 30.54 O ATOM 735 CB LYS A 47 -1.988 -24.445 -16.341 1.00 12.14 C ATOM 736 CG LYS A 47 -0.503 -24.751 -16.438 1.00 71.22 C ATOM 737 CD LYS A 47 -0.257 -26.196 -16.838 1.00 44.04 C ATOM 738 CE LYS A 47 0.119 -27.051 -15.637 1.00 52.41 C ATOM 739 NZ LYS A 47 0.883 -28.265 -16.036 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.805 -22.373 -15.696 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.310 -23.108 -17.993 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.294 -24.496 -15.296 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.545 -25.216 -16.874 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.041 -24.087 -17.168 1.00 71.22 H new ATOM 0 HG3 LYS A 47 -0.026 -24.552 -15.478 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -1.152 -26.602 -17.309 1.00 44.04 H new ATOM 0 HD3 LYS A 47 0.540 -26.238 -17.580 1.00 44.04 H new ATOM 0 HE2 LYS A 47 0.715 -26.459 -14.943 1.00 52.41 H new ATOM 0 HE3 LYS A 47 -0.785 -27.349 -15.107 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 1.120 -28.820 -15.189 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 0.305 -28.843 -16.679 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 1.759 -27.981 -16.520 1.00 64.34 H new ATOM 753 N GLN A 48 -3.996 -22.428 -15.226 1.00 45.21 N ATOM 754 CA GLN A 48 -5.318 -22.080 -14.718 1.00 10.22 C ATOM 755 C GLN A 48 -5.371 -20.613 -14.303 1.00 4.23 C ATOM 756 O GLN A 48 -6.403 -20.125 -13.840 1.00 2.01 O ATOM 757 CB GLN A 48 -5.683 -22.972 -13.531 1.00 63.24 C ATOM 758 CG GLN A 48 -5.704 -24.454 -13.868 1.00 72.31 C ATOM 759 CD GLN A 48 -6.196 -25.307 -12.715 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.348 -25.742 -12.697 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.324 -25.552 -11.745 1.00 43.10 N ATOM 0 H GLN A 48 -3.257 -22.419 -14.523 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.041 -22.240 -15.518 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -4.969 -22.801 -12.726 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.663 -22.679 -13.155 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.345 -24.617 -14.735 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.700 -24.773 -14.149 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.379 -25.172 -11.800 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -5.599 -26.121 -10.944 1.00 43.10 H new ATOM 770 N LEU A 49 -4.254 -19.914 -14.471 1.00 40.44 N ATOM 771 CA LEU A 49 -4.173 -18.502 -14.114 1.00 12.54 C ATOM 772 C LEU A 49 -4.490 -18.296 -12.636 1.00 71.02 C ATOM 773 O LEU A 49 -5.583 -17.858 -12.279 1.00 2.15 O ATOM 774 CB LEU A 49 -5.138 -17.683 -14.973 1.00 75.10 C ATOM 775 CG LEU A 49 -4.699 -17.425 -16.414 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.320 -16.787 -16.446 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.709 -18.719 -17.214 1.00 22.10 C ATOM 0 H LEU A 49 -3.391 -20.302 -14.852 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.154 -18.163 -14.299 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -6.100 -18.196 -14.993 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.300 -16.721 -14.486 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.407 -16.733 -16.871 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -3.024 -16.611 -17.480 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.345 -15.839 -15.909 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.600 -17.453 -15.971 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -4.394 -18.516 -18.238 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -4.024 -19.434 -16.758 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -5.716 -19.135 -17.220 1.00 22.10 H new ATOM 789 N LYS A 50 -3.524 -18.612 -11.780 1.00 54.03 N ATOM 790 CA LYS A 50 -3.696 -18.459 -10.340 1.00 73.12 C ATOM 791 C LYS A 50 -2.431 -17.901 -9.697 1.00 13.13 C ATOM 792 O LYS A 50 -1.415 -17.709 -10.366 1.00 33.05 O ATOM 793 CB LYS A 50 -4.055 -19.803 -9.703 1.00 23.41 C ATOM 794 CG LYS A 50 -3.206 -20.958 -10.201 1.00 12.24 C ATOM 795 CD LYS A 50 -3.763 -22.297 -9.747 1.00 71.24 C ATOM 796 CE LYS A 50 -3.117 -22.759 -8.450 1.00 14.43 C ATOM 797 NZ LYS A 50 -3.727 -24.020 -7.946 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.613 -18.976 -12.059 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.510 -17.754 -10.169 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -3.946 -19.723 -8.621 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.104 -20.022 -9.903 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.159 -20.933 -11.290 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.186 -20.845 -9.835 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -4.841 -22.216 -9.609 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -3.597 -23.044 -10.524 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -2.049 -22.910 -8.610 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.219 -21.979 -7.695 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -3.260 -24.302 -7.061 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -4.741 -23.869 -7.769 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -3.607 -24.771 -8.655 1.00 41.23 H new ATOM 811 N VAL A 51 -2.498 -17.643 -8.394 1.00 11.01 N ATOM 812 CA VAL A 51 -1.357 -17.110 -7.660 1.00 51.13 C ATOM 813 C VAL A 51 -1.340 -17.621 -6.224 1.00 24.24 C ATOM 814 O VAL A 51 -2.384 -17.729 -5.581 1.00 11.33 O ATOM 815 CB VAL A 51 -1.369 -15.570 -7.646 1.00 74.54 C ATOM 816 CG1 VAL A 51 -2.741 -15.049 -7.248 1.00 60.22 C ATOM 817 CG2 VAL A 51 -0.295 -15.038 -6.708 1.00 51.31 C ATOM 0 H VAL A 51 -3.331 -17.795 -7.825 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.460 -17.454 -8.175 1.00 51.13 H new ATOM 0 HB VAL A 51 -1.150 -15.214 -8.653 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -2.729 -13.959 -7.244 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -3.485 -15.401 -7.962 1.00 60.22 H new ATOM 0 HG13 VAL A 51 -2.993 -15.413 -6.252 1.00 60.22 H new ATOM 0 HG21 VAL A 51 -0.317 -13.948 -6.710 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.481 -15.403 -5.698 1.00 51.31 H new ATOM 0 HG23 VAL A 51 0.684 -15.381 -7.043 1.00 51.31 H new ATOM 827 N ASP A 52 -0.148 -17.932 -5.727 1.00 34.02 N ATOM 828 CA ASP A 52 0.006 -18.430 -4.365 1.00 10.05 C ATOM 829 C ASP A 52 1.314 -17.941 -3.752 1.00 41.12 C ATOM 830 O ASP A 52 2.179 -17.415 -4.452 1.00 32.23 O ATOM 831 CB ASP A 52 -0.038 -19.959 -4.350 1.00 62.44 C ATOM 832 CG ASP A 52 -1.136 -20.516 -5.235 1.00 53.22 C ATOM 833 OD1 ASP A 52 -0.884 -20.713 -6.442 1.00 40.15 O ATOM 834 OD2 ASP A 52 -2.249 -20.755 -4.721 1.00 41.01 O1- ATOM 0 H ASP A 52 0.726 -17.848 -6.247 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.821 -18.044 -3.768 1.00 10.05 H new ATOM 0 HB2 ASP A 52 0.924 -20.350 -4.680 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.189 -20.305 -3.327 1.00 62.44 H new ATOM 839 N GLN A 53 1.449 -18.116 -2.441 1.00 45.12 N ATOM 840 CA GLN A 53 2.651 -17.690 -1.734 1.00 63.05 C ATOM 841 C GLN A 53 3.660 -18.829 -1.641 1.00 31.52 C ATOM 842 O GLN A 53 3.296 -20.002 -1.718 1.00 43.42 O ATOM 843 CB GLN A 53 2.295 -17.193 -0.333 1.00 21.35 C ATOM 844 CG GLN A 53 2.939 -15.864 0.024 1.00 51.34 C ATOM 845 CD GLN A 53 3.837 -15.958 1.243 1.00 13.11 C ATOM 846 OE1 GLN A 53 3.389 -15.765 2.374 1.00 31.44 O ATOM 847 NE2 GLN A 53 5.111 -16.256 1.018 1.00 1.42 N ATOM 0 H GLN A 53 0.741 -18.549 -1.848 1.00 45.12 H new ATOM 0 HA GLN A 53 3.103 -16.874 -2.297 1.00 63.05 H new ATOM 0 HB2 GLN A 53 1.212 -17.095 -0.256 1.00 21.35 H new ATOM 0 HB3 GLN A 53 2.600 -17.942 0.397 1.00 21.35 H new ATOM 0 HG2 GLN A 53 3.522 -15.508 -0.825 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.159 -15.125 0.208 1.00 51.34 H new ATOM 0 HE21 GLN A 53 5.438 -16.408 0.064 1.00 1.42 H new ATOM 0 HE22 GLN A 53 5.762 -16.333 1.799 1.00 1.42 H new ATOM 856 N GLY A 54 4.931 -18.475 -1.475 1.00 60.23 N ATOM 857 CA GLY A 54 5.974 -19.480 -1.375 1.00 32.11 C ATOM 858 C GLY A 54 6.553 -19.852 -2.725 1.00 61.12 C ATOM 859 O GLY A 54 6.457 -19.084 -3.683 1.00 34.53 O ATOM 0 H GLY A 54 5.257 -17.511 -1.408 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.771 -19.109 -0.731 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.569 -20.373 -0.898 1.00 32.11 H new ATOM 863 N VAL A 55 7.159 -21.032 -2.804 1.00 63.32 N ATOM 864 CA VAL A 55 7.757 -21.504 -4.047 1.00 0.23 C ATOM 865 C VAL A 55 7.110 -22.805 -4.508 1.00 31.05 C ATOM 866 O VAL A 55 6.701 -23.632 -3.692 1.00 13.53 O ATOM 867 CB VAL A 55 9.273 -21.725 -3.892 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.557 -22.739 -2.795 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.884 -22.170 -5.212 1.00 61.54 C ATOM 0 H VAL A 55 7.249 -21.679 -2.021 1.00 63.32 H new ATOM 0 HA VAL A 55 7.585 -20.730 -4.795 1.00 0.23 H new ATOM 0 HB VAL A 55 9.732 -20.779 -3.606 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.634 -22.881 -2.701 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.155 -22.374 -1.850 1.00 35.12 H new ATOM 0 HG13 VAL A 55 9.086 -23.689 -3.047 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.956 -22.321 -5.084 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.421 -23.104 -5.531 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.714 -21.404 -5.968 1.00 61.54 H new ATOM 879 N PHE A 56 7.020 -22.981 -5.822 1.00 21.01 N ATOM 880 CA PHE A 56 6.422 -24.182 -6.394 1.00 21.13 C ATOM 881 C PHE A 56 7.402 -25.351 -6.351 1.00 72.32 C ATOM 882 O PHE A 56 8.609 -25.158 -6.205 1.00 54.15 O ATOM 883 CB PHE A 56 5.984 -23.923 -7.838 1.00 15.22 C ATOM 884 CG PHE A 56 5.114 -25.007 -8.404 1.00 13.30 C ATOM 885 CD1 PHE A 56 3.984 -25.432 -7.725 1.00 53.50 C ATOM 886 CD2 PHE A 56 5.427 -25.602 -9.615 1.00 11.02 C ATOM 887 CE1 PHE A 56 3.180 -26.430 -8.245 1.00 22.55 C ATOM 888 CE2 PHE A 56 4.627 -26.600 -10.139 1.00 40.34 C ATOM 889 CZ PHE A 56 3.503 -27.016 -9.453 1.00 32.22 C ATOM 0 H PHE A 56 7.354 -22.307 -6.511 1.00 21.01 H new ATOM 0 HA PHE A 56 5.547 -24.441 -5.797 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.446 -22.976 -7.882 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.870 -23.815 -8.464 1.00 15.22 H new ATOM 0 HD1 PHE A 56 3.728 -24.979 -6.779 1.00 53.50 H new ATOM 0 HD2 PHE A 56 6.306 -25.283 -10.156 1.00 11.02 H new ATOM 0 HE1 PHE A 56 2.300 -26.751 -7.707 1.00 22.55 H new ATOM 0 HE2 PHE A 56 4.881 -27.055 -11.085 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.878 -27.797 -9.860 1.00 32.22 H new ATOM 899 N ALA A 57 6.873 -26.564 -6.476 1.00 32.10 N ATOM 900 CA ALA A 57 7.699 -27.764 -6.453 1.00 4.40 C ATOM 901 C ALA A 57 8.775 -27.711 -7.533 1.00 45.14 C ATOM 902 O ALA A 57 9.869 -28.246 -7.358 1.00 5.11 O ATOM 903 CB ALA A 57 6.834 -29.003 -6.626 1.00 15.14 C ATOM 0 H ALA A 57 5.875 -26.741 -6.594 1.00 32.10 H new ATOM 0 HA ALA A 57 8.197 -27.815 -5.485 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.464 -29.892 -6.607 1.00 15.14 H new ATOM 0 HB2 ALA A 57 6.107 -29.056 -5.815 1.00 15.14 H new ATOM 0 HB3 ALA A 57 6.310 -28.950 -7.580 1.00 15.14 H new ATOM 909 N SER A 58 8.455 -27.065 -8.649 1.00 54.32 N ATOM 910 CA SER A 58 9.393 -26.946 -9.759 1.00 12.25 C ATOM 911 C SER A 58 8.789 -26.124 -10.894 1.00 23.03 C ATOM 912 O SER A 58 8.260 -26.658 -11.869 1.00 74.33 O ATOM 913 CB SER A 58 9.786 -28.333 -10.272 1.00 24.15 C ATOM 914 OG SER A 58 10.403 -28.250 -11.545 1.00 63.33 O ATOM 0 H SER A 58 7.553 -26.616 -8.809 1.00 54.32 H new ATOM 0 HA SER A 58 10.284 -26.434 -9.397 1.00 12.25 H new ATOM 0 HB2 SER A 58 10.467 -28.806 -9.565 1.00 24.15 H new ATOM 0 HB3 SER A 58 8.901 -28.966 -10.334 1.00 24.15 H new ATOM 0 HG SER A 58 9.737 -27.991 -12.215 1.00 63.33 H new ATOM 920 N PRO A 59 8.871 -24.791 -10.766 1.00 64.12 N ATOM 921 CA PRO A 59 8.340 -23.866 -11.771 1.00 73.32 C ATOM 922 C PRO A 59 9.146 -23.889 -13.065 1.00 23.22 C ATOM 923 O PRO A 59 10.374 -23.967 -13.040 1.00 4.44 O ATOM 924 CB PRO A 59 8.457 -22.499 -11.092 1.00 61.42 C ATOM 925 CG PRO A 59 9.562 -22.660 -10.106 1.00 4.13 C ATOM 926 CD PRO A 59 9.489 -24.085 -9.631 1.00 10.03 C ATOM 0 HA PRO A 59 7.323 -24.125 -12.066 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.683 -21.716 -11.815 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.525 -22.220 -10.600 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.528 -22.451 -10.565 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.447 -21.965 -9.274 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.477 -24.483 -9.400 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.889 -24.177 -8.726 1.00 10.03 H new ATOM 934 N ASP A 60 8.448 -23.820 -14.193 1.00 20.31 N ATOM 935 CA ASP A 60 9.100 -23.832 -15.498 1.00 71.05 C ATOM 936 C ASP A 60 10.040 -22.640 -15.645 1.00 72.31 C ATOM 937 O ASP A 60 10.952 -22.654 -16.473 1.00 5.43 O ATOM 938 CB ASP A 60 8.054 -23.814 -16.614 1.00 60.31 C ATOM 939 CG ASP A 60 8.513 -24.563 -17.849 1.00 74.41 C ATOM 940 OD1 ASP A 60 9.610 -24.252 -18.358 1.00 62.40 O ATOM 941 OD2 ASP A 60 7.776 -25.462 -18.305 1.00 72.43 O1- ATOM 0 H ASP A 60 7.431 -23.755 -14.230 1.00 20.31 H new ATOM 0 HA ASP A 60 9.687 -24.747 -15.576 1.00 71.05 H new ATOM 0 HB2 ASP A 60 7.128 -24.257 -16.247 1.00 60.31 H new ATOM 0 HB3 ASP A 60 7.830 -22.781 -16.881 1.00 60.31 H new ATOM 946 N VAL A 61 9.813 -21.609 -14.838 1.00 23.13 N ATOM 947 CA VAL A 61 10.641 -20.410 -14.878 1.00 4.42 C ATOM 948 C VAL A 61 10.699 -19.735 -13.513 1.00 2.01 C ATOM 949 O VAL A 61 9.720 -19.737 -12.764 1.00 3.25 O ATOM 950 CB VAL A 61 10.114 -19.400 -15.915 1.00 33.32 C ATOM 951 CG1 VAL A 61 10.881 -18.089 -15.821 1.00 0.55 C ATOM 952 CG2 VAL A 61 10.205 -19.980 -17.318 1.00 33.43 C ATOM 0 H VAL A 61 9.062 -21.580 -14.148 1.00 23.13 H new ATOM 0 HA VAL A 61 11.643 -20.727 -15.165 1.00 4.42 H new ATOM 0 HB VAL A 61 9.065 -19.197 -15.698 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.495 -17.388 -16.561 1.00 0.55 H new ATOM 0 HG12 VAL A 61 10.760 -17.667 -14.823 1.00 0.55 H new ATOM 0 HG13 VAL A 61 11.939 -18.272 -16.011 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.828 -19.253 -18.037 1.00 33.43 H new ATOM 0 HG22 VAL A 61 11.244 -20.214 -17.548 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.607 -20.890 -17.375 1.00 33.43 H new ATOM 962 N THR A 62 11.852 -19.157 -13.192 1.00 50.24 N ATOM 963 CA THR A 62 12.039 -18.479 -11.915 1.00 14.23 C ATOM 964 C THR A 62 12.371 -17.005 -12.120 1.00 31.34 C ATOM 965 O THR A 62 13.422 -16.664 -12.663 1.00 52.43 O ATOM 966 CB THR A 62 13.160 -19.137 -11.089 1.00 64.24 C ATOM 967 OG1 THR A 62 13.587 -20.348 -11.720 1.00 4.13 O ATOM 968 CG2 THR A 62 12.685 -19.435 -9.675 1.00 53.40 C ATOM 0 H THR A 62 12.671 -19.145 -13.799 1.00 50.24 H new ATOM 0 HA THR A 62 11.099 -18.565 -11.370 1.00 14.23 H new ATOM 0 HB THR A 62 13.998 -18.442 -11.035 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.392 -20.683 -11.273 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.493 -19.899 -9.110 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.388 -18.506 -9.187 1.00 53.40 H new ATOM 0 HG23 THR A 62 11.832 -20.113 -9.713 1.00 53.40 H new ATOM 976 N VAL A 63 11.468 -16.133 -11.681 1.00 71.42 N ATOM 977 CA VAL A 63 11.666 -14.695 -11.813 1.00 52.44 C ATOM 978 C VAL A 63 12.220 -14.096 -10.526 1.00 12.25 C ATOM 979 O VAL A 63 11.703 -14.346 -9.437 1.00 15.12 O ATOM 980 CB VAL A 63 10.352 -13.978 -12.176 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.597 -12.493 -12.396 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.723 -14.612 -13.408 1.00 54.53 C ATOM 0 H VAL A 63 10.592 -16.398 -11.231 1.00 71.42 H new ATOM 0 HA VAL A 63 12.386 -14.548 -12.618 1.00 52.44 H new ATOM 0 HB VAL A 63 9.656 -14.087 -11.344 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.657 -12.003 -12.652 1.00 23.22 H new ATOM 0 HG12 VAL A 63 11.000 -12.052 -11.484 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.309 -12.358 -13.210 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.795 -14.093 -13.651 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.412 -14.535 -14.249 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.510 -15.662 -13.208 1.00 54.53 H new ATOM 992 N THR A 64 13.278 -13.301 -10.657 1.00 21.22 N ATOM 993 CA THR A 64 13.904 -12.665 -9.504 1.00 44.01 C ATOM 994 C THR A 64 13.908 -11.148 -9.647 1.00 25.10 C ATOM 995 O THR A 64 14.647 -10.593 -10.461 1.00 72.04 O ATOM 996 CB THR A 64 15.351 -13.155 -9.309 1.00 34.33 C ATOM 997 OG1 THR A 64 15.667 -14.153 -10.288 1.00 1.35 O ATOM 998 CG2 THR A 64 15.547 -13.728 -7.914 1.00 73.53 C ATOM 0 H THR A 64 13.719 -13.082 -11.550 1.00 21.22 H new ATOM 0 HA THR A 64 13.313 -12.943 -8.631 1.00 44.01 H new ATOM 0 HB THR A 64 16.018 -12.302 -9.431 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.524 -14.571 -10.064 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.577 -14.067 -7.801 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.335 -12.959 -7.172 1.00 73.53 H new ATOM 0 HG23 THR A 64 14.870 -14.570 -7.768 1.00 73.53 H new ATOM 1006 N VAL A 65 13.078 -10.480 -8.851 1.00 24.10 N ATOM 1007 CA VAL A 65 12.987 -9.026 -8.888 1.00 44.40 C ATOM 1008 C VAL A 65 13.079 -8.434 -7.487 1.00 72.43 C ATOM 1009 O VAL A 65 12.760 -9.095 -6.500 1.00 51.43 O ATOM 1010 CB VAL A 65 11.673 -8.563 -9.545 1.00 33.51 C ATOM 1011 CG1 VAL A 65 10.480 -8.957 -8.688 1.00 53.11 C ATOM 1012 CG2 VAL A 65 11.698 -7.059 -9.781 1.00 61.51 C ATOM 0 H VAL A 65 12.459 -10.924 -8.173 1.00 24.10 H new ATOM 0 HA VAL A 65 13.827 -8.671 -9.484 1.00 44.40 H new ATOM 0 HB VAL A 65 11.575 -9.058 -10.511 1.00 33.51 H new ATOM 0 HG11 VAL A 65 9.561 -8.622 -9.168 1.00 53.11 H new ATOM 0 HG12 VAL A 65 10.456 -10.041 -8.574 1.00 53.11 H new ATOM 0 HG13 VAL A 65 10.568 -8.491 -7.706 1.00 53.11 H new ATOM 0 HG21 VAL A 65 10.762 -6.748 -10.246 1.00 61.51 H new ATOM 0 HG22 VAL A 65 11.819 -6.543 -8.828 1.00 61.51 H new ATOM 0 HG23 VAL A 65 12.531 -6.808 -10.438 1.00 61.51 H new ATOM 1022 N GLY A 66 13.518 -7.181 -7.406 1.00 71.14 N ATOM 1023 CA GLY A 66 13.643 -6.519 -6.121 1.00 41.23 C ATOM 1024 C GLY A 66 12.394 -5.749 -5.741 1.00 23.54 C ATOM 1025 O GLY A 66 11.577 -5.414 -6.599 1.00 73.14 O ATOM 0 H GLY A 66 13.789 -6.613 -8.208 1.00 71.14 H new ATOM 0 HA2 GLY A 66 13.856 -7.262 -5.352 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.492 -5.836 -6.149 1.00 41.23 H new ATOM 1029 N LEU A 67 12.244 -5.467 -4.452 1.00 13.24 N ATOM 1030 CA LEU A 67 11.084 -4.733 -3.959 1.00 45.22 C ATOM 1031 C LEU A 67 10.885 -3.440 -4.743 1.00 21.23 C ATOM 1032 O LEU A 67 9.862 -3.253 -5.400 1.00 45.23 O ATOM 1033 CB LEU A 67 11.249 -4.419 -2.470 1.00 52.23 C ATOM 1034 CG LEU A 67 9.956 -4.238 -1.675 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.286 -5.582 -1.431 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.235 -3.532 -0.357 1.00 21.12 C ATOM 0 H LEU A 67 12.911 -5.736 -3.729 1.00 13.24 H new ATOM 0 HA LEU A 67 10.203 -5.360 -4.097 1.00 45.22 H new ATOM 0 HB2 LEU A 67 11.824 -5.223 -2.011 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.841 -3.509 -2.375 1.00 52.23 H new ATOM 0 HG LEU A 67 9.277 -3.618 -2.260 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.367 -5.433 -0.864 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.050 -6.050 -2.387 1.00 15.22 H new ATOM 0 HD13 LEU A 67 9.960 -6.227 -0.867 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.303 -3.412 0.196 1.00 21.12 H new ATOM 0 HD22 LEU A 67 10.933 -4.126 0.233 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.669 -2.552 -0.554 1.00 21.12 H new ATOM 1048 N GLU A 68 11.872 -2.552 -4.671 1.00 23.10 N ATOM 1049 CA GLU A 68 11.804 -1.277 -5.375 1.00 24.34 C ATOM 1050 C GLU A 68 11.583 -1.493 -6.870 1.00 61.31 C ATOM 1051 O GLU A 68 10.770 -0.810 -7.493 1.00 21.23 O ATOM 1052 CB GLU A 68 13.088 -0.476 -5.150 1.00 2.03 C ATOM 1053 CG GLU A 68 13.485 -0.363 -3.687 1.00 62.33 C ATOM 1054 CD GLU A 68 14.205 0.935 -3.376 1.00 54.24 C ATOM 1055 OE1 GLU A 68 15.449 0.911 -3.264 1.00 72.13 O ATOM 1056 OE2 GLU A 68 13.526 1.975 -3.247 1.00 60.41 O1- ATOM 0 H GLU A 68 12.727 -2.692 -4.133 1.00 23.10 H new ATOM 0 HA GLU A 68 10.959 -0.716 -4.977 1.00 24.34 H new ATOM 0 HB2 GLU A 68 13.901 -0.946 -5.703 1.00 2.03 H new ATOM 0 HB3 GLU A 68 12.959 0.525 -5.561 1.00 2.03 H new ATOM 0 HG2 GLU A 68 12.593 -0.437 -3.066 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.128 -1.203 -3.423 1.00 62.33 H new ATOM 1063 N ASP A 69 12.314 -2.446 -7.438 1.00 20.45 N ATOM 1064 CA ASP A 69 12.198 -2.753 -8.859 1.00 42.22 C ATOM 1065 C ASP A 69 10.755 -3.087 -9.227 1.00 43.43 C ATOM 1066 O ASP A 69 10.212 -2.551 -10.193 1.00 14.14 O ATOM 1067 CB ASP A 69 13.115 -3.922 -9.227 1.00 71.20 C ATOM 1068 CG ASP A 69 14.529 -3.729 -8.717 1.00 61.35 C ATOM 1069 OD1 ASP A 69 15.257 -4.736 -8.593 1.00 51.33 O ATOM 1070 OD2 ASP A 69 14.909 -2.571 -8.445 1.00 23.21 O1- ATOM 0 H ASP A 69 12.993 -3.019 -6.937 1.00 20.45 H new ATOM 0 HA ASP A 69 12.503 -1.871 -9.422 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.706 -4.845 -8.816 1.00 71.20 H new ATOM 0 HB3 ASP A 69 13.135 -4.038 -10.311 1.00 71.20 H new ATOM 1075 N MET A 70 10.143 -3.976 -8.452 1.00 54.02 N ATOM 1076 CA MET A 70 8.764 -4.381 -8.698 1.00 40.11 C ATOM 1077 C MET A 70 7.809 -3.208 -8.496 1.00 33.44 C ATOM 1078 O MET A 70 7.007 -2.888 -9.375 1.00 2.01 O ATOM 1079 CB MET A 70 8.376 -5.535 -7.771 1.00 64.44 C ATOM 1080 CG MET A 70 6.916 -5.940 -7.884 1.00 53.12 C ATOM 1081 SD MET A 70 6.643 -7.676 -7.483 1.00 44.35 S ATOM 1082 CE MET A 70 6.458 -8.378 -9.121 1.00 74.02 C ATOM 0 H MET A 70 10.580 -4.429 -7.649 1.00 54.02 H new ATOM 0 HA MET A 70 8.688 -4.715 -9.733 1.00 40.11 H new ATOM 0 HB2 MET A 70 9.002 -6.398 -7.997 1.00 64.44 H new ATOM 0 HB3 MET A 70 8.587 -5.249 -6.740 1.00 64.44 H new ATOM 0 HG2 MET A 70 6.318 -5.319 -7.217 1.00 53.12 H new ATOM 0 HG3 MET A 70 6.567 -5.746 -8.898 1.00 53.12 H new ATOM 0 HE1 MET A 70 5.629 -9.086 -9.122 1.00 74.02 H new ATOM 0 HE2 MET A 70 6.257 -7.582 -9.838 1.00 74.02 H new ATOM 0 HE3 MET A 70 7.376 -8.895 -9.401 1.00 74.02 H new ATOM 1092 N LEU A 71 7.899 -2.571 -7.333 1.00 4.41 N ATOM 1093 CA LEU A 71 7.043 -1.434 -7.015 1.00 52.32 C ATOM 1094 C LEU A 71 7.147 -0.358 -8.091 1.00 50.24 C ATOM 1095 O LEU A 71 6.153 0.277 -8.445 1.00 51.41 O ATOM 1096 CB LEU A 71 7.423 -0.850 -5.654 1.00 73.33 C ATOM 1097 CG LEU A 71 7.416 -1.827 -4.478 1.00 72.22 C ATOM 1098 CD1 LEU A 71 8.439 -1.411 -3.432 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.025 -1.912 -3.864 1.00 30.51 C ATOM 0 H LEU A 71 8.556 -2.823 -6.595 1.00 4.41 H new ATOM 0 HA LEU A 71 6.012 -1.785 -6.977 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.419 -0.415 -5.733 1.00 73.33 H new ATOM 0 HB3 LEU A 71 6.737 -0.034 -5.427 1.00 73.33 H new ATOM 0 HG LEU A 71 7.689 -2.815 -4.849 1.00 72.22 H new ATOM 0 HD11 LEU A 71 8.420 -2.118 -2.603 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.433 -1.403 -3.879 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.198 -0.414 -3.064 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.038 -2.612 -3.028 1.00 30.51 H new ATOM 0 HD22 LEU A 71 5.724 -0.927 -3.508 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.316 -2.258 -4.616 1.00 30.51 H new ATOM 1111 N ALA A 72 8.354 -0.158 -8.608 1.00 72.12 N ATOM 1112 CA ALA A 72 8.587 0.838 -9.645 1.00 10.33 C ATOM 1113 C ALA A 72 7.664 0.613 -10.838 1.00 3.31 C ATOM 1114 O ALA A 72 7.245 1.565 -11.499 1.00 20.22 O ATOM 1115 CB ALA A 72 10.042 0.809 -10.089 1.00 1.25 C ATOM 0 H ALA A 72 9.187 -0.674 -8.325 1.00 72.12 H new ATOM 0 HA ALA A 72 8.366 1.820 -9.227 1.00 10.33 H new ATOM 0 HB1 ALA A 72 10.201 1.559 -10.864 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.687 1.026 -9.237 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.282 -0.178 -10.484 1.00 1.25 H new ATOM 1121 N ILE A 73 7.350 -0.649 -11.108 1.00 10.35 N ATOM 1122 CA ILE A 73 6.476 -0.997 -12.222 1.00 70.44 C ATOM 1123 C ILE A 73 5.009 -0.917 -11.815 1.00 3.41 C ATOM 1124 O ILE A 73 4.236 -0.149 -12.388 1.00 51.33 O ATOM 1125 CB ILE A 73 6.774 -2.413 -12.750 1.00 2.34 C ATOM 1126 CG1 ILE A 73 8.283 -2.628 -12.872 1.00 5.34 C ATOM 1127 CG2 ILE A 73 6.091 -2.632 -14.091 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.657 -3.959 -13.488 1.00 20.44 C ATOM 0 H ILE A 73 7.687 -1.448 -10.571 1.00 10.35 H new ATOM 0 HA ILE A 73 6.671 -0.274 -13.014 1.00 70.44 H new ATOM 0 HB ILE A 73 6.379 -3.141 -12.041 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.708 -1.826 -13.475 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.733 -2.556 -11.882 1.00 5.34 H new ATOM 0 HG21 ILE A 73 6.311 -3.637 -14.451 1.00 52.42 H new ATOM 0 HG22 ILE A 73 5.014 -2.516 -13.974 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.458 -1.900 -14.810 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.742 -4.042 -13.543 1.00 20.44 H new ATOM 0 HD12 ILE A 73 8.262 -4.768 -12.874 1.00 20.44 H new ATOM 0 HD13 ILE A 73 8.237 -4.026 -14.491 1.00 20.44 H new ATOM 1140 N SER A 74 4.631 -1.714 -10.820 1.00 34.22 N ATOM 1141 CA SER A 74 3.256 -1.734 -10.337 1.00 34.44 C ATOM 1142 C SER A 74 2.796 -0.333 -9.945 1.00 12.00 C ATOM 1143 O SER A 74 1.601 -0.049 -9.902 1.00 4.54 O ATOM 1144 CB SER A 74 3.127 -2.679 -9.140 1.00 32.15 C ATOM 1145 OG SER A 74 1.841 -2.587 -8.554 1.00 43.53 O ATOM 0 H SER A 74 5.258 -2.354 -10.333 1.00 34.22 H new ATOM 0 HA SER A 74 2.619 -2.093 -11.145 1.00 34.44 H new ATOM 0 HB2 SER A 74 3.311 -3.704 -9.461 1.00 32.15 H new ATOM 0 HB3 SER A 74 3.887 -2.436 -8.397 1.00 32.15 H new ATOM 0 HG SER A 74 1.341 -3.411 -8.732 1.00 43.53 H new ATOM 1151 N GLY A 75 3.759 0.540 -9.658 1.00 30.23 N ATOM 1152 CA GLY A 75 3.434 1.901 -9.272 1.00 71.54 C ATOM 1153 C GLY A 75 3.190 2.799 -10.469 1.00 52.41 C ATOM 1154 O GLY A 75 3.137 4.022 -10.336 1.00 72.55 O ATOM 0 H GLY A 75 4.756 0.329 -9.686 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.546 1.894 -8.640 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.248 2.310 -8.674 1.00 71.54 H new ATOM 1158 N LYS A 76 3.042 2.194 -11.642 1.00 72.22 N ATOM 1159 CA LYS A 76 2.803 2.946 -12.868 1.00 63.32 C ATOM 1160 C LYS A 76 3.781 4.110 -12.991 1.00 4.25 C ATOM 1161 O LYS A 76 3.455 5.150 -13.565 1.00 51.51 O ATOM 1162 CB LYS A 76 1.365 3.468 -12.898 1.00 43.21 C ATOM 1163 CG LYS A 76 1.105 4.590 -11.907 1.00 10.13 C ATOM 1164 CD LYS A 76 -0.116 5.406 -12.297 1.00 41.34 C ATOM 1165 CE LYS A 76 0.257 6.571 -13.200 1.00 40.22 C ATOM 1166 NZ LYS A 76 -0.906 7.464 -13.463 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.083 1.183 -11.770 1.00 72.22 H new ATOM 0 HA LYS A 76 2.957 2.275 -13.713 1.00 63.32 H new ATOM 0 HB2 LYS A 76 1.137 3.822 -13.903 1.00 43.21 H new ATOM 0 HB3 LYS A 76 0.684 2.644 -12.688 1.00 43.21 H new ATOM 0 HG2 LYS A 76 0.961 4.171 -10.911 1.00 10.13 H new ATOM 0 HG3 LYS A 76 1.978 5.241 -11.856 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -0.835 4.765 -12.807 1.00 41.34 H new ATOM 0 HD3 LYS A 76 -0.605 5.783 -11.399 1.00 41.34 H new ATOM 0 HE2 LYS A 76 1.059 7.146 -12.738 1.00 40.22 H new ATOM 0 HE3 LYS A 76 0.642 6.189 -14.145 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 -0.611 8.246 -14.082 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -1.662 6.922 -13.927 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -1.258 7.849 -12.564 1.00 53.25 H new ATOM 1180 N THR A 77 4.982 3.929 -12.450 1.00 13.43 N ATOM 1181 CA THR A 77 6.006 4.963 -12.500 1.00 43.43 C ATOM 1182 C THR A 77 7.101 4.605 -13.497 1.00 63.21 C ATOM 1183 O THR A 77 7.651 5.477 -14.173 1.00 21.54 O ATOM 1184 CB THR A 77 6.643 5.191 -11.115 1.00 71.41 C ATOM 1185 OG1 THR A 77 7.385 4.032 -10.722 1.00 24.34 O ATOM 1186 CG2 THR A 77 5.576 5.495 -10.074 1.00 61.23 C ATOM 0 H THR A 77 5.269 3.075 -11.972 1.00 13.43 H new ATOM 0 HA THR A 77 5.513 5.881 -12.821 1.00 43.43 H new ATOM 0 HB THR A 77 7.316 6.046 -11.183 1.00 71.41 H new ATOM 0 HG1 THR A 77 6.913 3.226 -11.018 1.00 24.34 H new ATOM 0 HG21 THR A 77 6.048 5.652 -9.104 1.00 61.23 H new ATOM 0 HG22 THR A 77 5.032 6.394 -10.363 1.00 61.23 H new ATOM 0 HG23 THR A 77 4.883 4.657 -10.008 1.00 61.23 H new ATOM 1194 N LEU A 78 7.416 3.317 -13.586 1.00 61.23 N ATOM 1195 CA LEU A 78 8.447 2.842 -14.503 1.00 64.41 C ATOM 1196 C LEU A 78 7.930 1.684 -15.351 1.00 4.21 C ATOM 1197 O LEU A 78 6.887 1.099 -15.053 1.00 64.35 O ATOM 1198 CB LEU A 78 9.688 2.406 -13.724 1.00 40.00 C ATOM 1199 CG LEU A 78 11.026 2.575 -14.445 1.00 14.14 C ATOM 1200 CD1 LEU A 78 12.085 3.102 -13.488 1.00 21.42 C ATOM 1201 CD2 LEU A 78 11.471 1.256 -15.061 1.00 52.03 C ATOM 0 H LEU A 78 6.972 2.583 -13.034 1.00 61.23 H new ATOM 0 HA LEU A 78 8.714 3.663 -15.168 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.726 2.972 -12.793 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.573 1.356 -13.455 1.00 40.00 H new ATOM 0 HG LEU A 78 10.895 3.302 -15.247 1.00 14.14 H new ATOM 0 HD11 LEU A 78 13.030 3.216 -14.018 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.771 4.069 -13.094 1.00 21.42 H new ATOM 0 HD13 LEU A 78 12.213 2.399 -12.665 1.00 21.42 H new ATOM 0 HD21 LEU A 78 12.425 1.396 -15.570 1.00 52.03 H new ATOM 0 HD22 LEU A 78 11.584 0.508 -14.276 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.723 0.919 -15.779 1.00 52.03 H new ATOM 1213 N THR A 79 8.667 1.355 -16.406 1.00 53.44 N ATOM 1214 CA THR A 79 8.285 0.266 -17.297 1.00 2.24 C ATOM 1215 C THR A 79 9.241 -0.914 -17.163 1.00 31.21 C ATOM 1216 O THR A 79 10.426 -0.737 -16.880 1.00 53.42 O ATOM 1217 CB THR A 79 8.255 0.725 -18.766 1.00 73.11 C ATOM 1218 OG1 THR A 79 9.591 0.900 -19.252 1.00 25.35 O ATOM 1219 CG2 THR A 79 7.482 2.028 -18.911 1.00 71.32 C ATOM 0 H THR A 79 9.533 1.827 -16.665 1.00 53.44 H new ATOM 0 HA THR A 79 7.283 -0.046 -17.003 1.00 2.24 H new ATOM 0 HB THR A 79 7.753 -0.044 -19.353 1.00 73.11 H new ATOM 0 HG1 THR A 79 9.563 1.190 -20.188 1.00 25.35 H new ATOM 0 HG21 THR A 79 7.475 2.332 -19.958 1.00 71.32 H new ATOM 0 HG22 THR A 79 6.458 1.883 -18.568 1.00 71.32 H new ATOM 0 HG23 THR A 79 7.959 2.803 -18.311 1.00 71.32 H new ATOM 1227 N VAL A 80 8.720 -2.119 -17.372 1.00 5.33 N ATOM 1228 CA VAL A 80 9.529 -3.328 -17.277 1.00 10.20 C ATOM 1229 C VAL A 80 10.727 -3.262 -18.217 1.00 63.11 C ATOM 1230 O VAL A 80 11.812 -3.741 -17.891 1.00 72.02 O ATOM 1231 CB VAL A 80 8.700 -4.584 -17.606 1.00 1.42 C ATOM 1232 CG1 VAL A 80 9.554 -5.837 -17.473 1.00 32.31 C ATOM 1233 CG2 VAL A 80 7.476 -4.665 -16.707 1.00 54.23 C ATOM 0 H VAL A 80 7.741 -2.284 -17.608 1.00 5.33 H new ATOM 0 HA VAL A 80 9.882 -3.394 -16.248 1.00 10.20 H new ATOM 0 HB VAL A 80 8.359 -4.513 -18.639 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.952 -6.714 -17.709 1.00 32.31 H new ATOM 0 HG12 VAL A 80 10.396 -5.778 -18.163 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.926 -5.917 -16.452 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.902 -5.558 -16.953 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.792 -4.713 -15.665 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.855 -3.782 -16.857 1.00 54.23 H new ATOM 1243 N GLY A 81 10.523 -2.666 -19.387 1.00 1.42 N ATOM 1244 CA GLY A 81 11.595 -2.548 -20.358 1.00 4.53 C ATOM 1245 C GLY A 81 12.847 -1.931 -19.766 1.00 72.43 C ATOM 1246 O GLY A 81 13.949 -2.451 -19.947 1.00 54.32 O ATOM 0 H GLY A 81 9.633 -2.262 -19.680 1.00 1.42 H new ATOM 0 HA2 GLY A 81 11.832 -3.535 -20.754 1.00 4.53 H new ATOM 0 HA3 GLY A 81 11.256 -1.941 -21.197 1.00 4.53 H new ATOM 1250 N ASP A 82 12.679 -0.820 -19.058 1.00 14.13 N ATOM 1251 CA ASP A 82 13.804 -0.131 -18.438 1.00 21.43 C ATOM 1252 C ASP A 82 14.541 -1.053 -17.471 1.00 23.42 C ATOM 1253 O ASP A 82 15.743 -1.277 -17.606 1.00 72.21 O ATOM 1254 CB ASP A 82 13.322 1.120 -17.702 1.00 22.14 C ATOM 1255 CG ASP A 82 14.019 2.379 -18.179 1.00 13.02 C ATOM 1256 OD1 ASP A 82 13.326 3.289 -18.680 1.00 14.15 O ATOM 1257 OD2 ASP A 82 15.259 2.454 -18.051 1.00 41.32 O1- ATOM 0 H ASP A 82 11.774 -0.377 -18.899 1.00 14.13 H new ATOM 0 HA ASP A 82 14.495 0.165 -19.227 1.00 21.43 H new ATOM 0 HB2 ASP A 82 12.247 1.229 -17.843 1.00 22.14 H new ATOM 0 HB3 ASP A 82 13.493 0.997 -16.633 1.00 22.14 H new ATOM 1262 N ALA A 83 13.811 -1.583 -16.496 1.00 45.42 N ATOM 1263 CA ALA A 83 14.394 -2.482 -15.507 1.00 21.54 C ATOM 1264 C ALA A 83 15.054 -3.682 -16.178 1.00 74.42 C ATOM 1265 O ALA A 83 16.114 -4.140 -15.749 1.00 71.11 O ATOM 1266 CB ALA A 83 13.330 -2.943 -14.522 1.00 12.34 C ATOM 0 H ALA A 83 12.815 -1.406 -16.369 1.00 45.42 H new ATOM 0 HA ALA A 83 15.164 -1.935 -14.963 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.779 -3.614 -13.789 1.00 12.34 H new ATOM 0 HB2 ALA A 83 12.908 -2.078 -14.011 1.00 12.34 H new ATOM 0 HB3 ALA A 83 12.540 -3.469 -15.059 1.00 12.34 H new ATOM 1272 N LEU A 84 14.420 -4.188 -17.231 1.00 41.30 N ATOM 1273 CA LEU A 84 14.946 -5.337 -17.961 1.00 72.41 C ATOM 1274 C LEU A 84 16.392 -5.097 -18.384 1.00 23.24 C ATOM 1275 O LEU A 84 17.271 -5.917 -18.119 1.00 61.34 O ATOM 1276 CB LEU A 84 14.083 -5.622 -19.190 1.00 54.12 C ATOM 1277 CG LEU A 84 13.494 -7.030 -19.285 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.591 -8.053 -19.531 1.00 35.23 C ATOM 1279 CD2 LEU A 84 12.719 -7.369 -18.019 1.00 24.15 C ATOM 0 H LEU A 84 13.542 -3.821 -17.598 1.00 41.30 H new ATOM 0 HA LEU A 84 14.920 -6.202 -17.298 1.00 72.41 H new ATOM 0 HB2 LEU A 84 13.262 -4.905 -19.207 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.684 -5.440 -20.081 1.00 54.12 H new ATOM 0 HG LEU A 84 12.805 -7.059 -20.129 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.152 -9.049 -19.596 1.00 35.23 H new ATOM 0 HD12 LEU A 84 15.102 -7.821 -20.465 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.306 -8.024 -18.709 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.306 -8.374 -18.103 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.388 -7.322 -17.159 1.00 24.15 H new ATOM 0 HD23 LEU A 84 11.907 -6.654 -17.887 1.00 24.15 H new ATOM 1291 N LYS A 85 16.631 -3.968 -19.041 1.00 13.23 N ATOM 1292 CA LYS A 85 17.970 -3.617 -19.500 1.00 53.44 C ATOM 1293 C LYS A 85 18.916 -3.425 -18.318 1.00 73.11 C ATOM 1294 O LYS A 85 20.030 -3.948 -18.312 1.00 1.12 O ATOM 1295 CB LYS A 85 17.926 -2.342 -20.344 1.00 25.42 C ATOM 1296 CG LYS A 85 18.266 -2.569 -21.807 1.00 52.24 C ATOM 1297 CD LYS A 85 17.211 -3.413 -22.502 1.00 12.13 C ATOM 1298 CE LYS A 85 16.314 -2.564 -23.389 1.00 30.01 C ATOM 1299 NZ LYS A 85 15.533 -3.396 -24.346 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.914 -3.279 -19.268 1.00 13.23 H new ATOM 0 HA LYS A 85 18.343 -4.437 -20.113 1.00 53.44 H new ATOM 0 HB2 LYS A 85 16.930 -1.905 -20.275 1.00 25.42 H new ATOM 0 HB3 LYS A 85 18.623 -1.615 -19.926 1.00 25.42 H new ATOM 0 HG2 LYS A 85 18.356 -1.608 -22.314 1.00 52.24 H new ATOM 0 HG3 LYS A 85 19.235 -3.062 -21.884 1.00 52.24 H new ATOM 0 HD2 LYS A 85 17.696 -4.182 -23.103 1.00 12.13 H new ATOM 0 HD3 LYS A 85 16.605 -3.927 -21.756 1.00 12.13 H new ATOM 0 HE2 LYS A 85 15.630 -1.987 -22.767 1.00 30.01 H new ATOM 0 HE3 LYS A 85 16.922 -1.849 -23.942 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 14.934 -2.781 -24.933 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 16.186 -3.928 -24.957 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 14.933 -4.062 -23.818 1.00 0.02 H new ATOM 1313 N GLN A 86 18.463 -2.671 -17.321 1.00 11.43 N ATOM 1314 CA GLN A 86 19.271 -2.411 -16.134 1.00 53.23 C ATOM 1315 C GLN A 86 19.694 -3.715 -15.467 1.00 21.22 C ATOM 1316 O GLN A 86 20.820 -3.843 -14.989 1.00 41.42 O ATOM 1317 CB GLN A 86 18.491 -1.545 -15.142 1.00 12.42 C ATOM 1318 CG GLN A 86 18.140 -0.168 -15.681 1.00 73.05 C ATOM 1319 CD GLN A 86 18.089 0.888 -14.596 1.00 42.21 C ATOM 1320 OE1 GLN A 86 19.076 1.579 -14.339 1.00 72.11 O ATOM 1321 NE2 GLN A 86 16.935 1.020 -13.951 1.00 61.43 N ATOM 0 H GLN A 86 17.543 -2.230 -17.311 1.00 11.43 H new ATOM 0 HA GLN A 86 20.169 -1.877 -16.445 1.00 53.23 H new ATOM 0 HB2 GLN A 86 17.573 -2.062 -14.865 1.00 12.42 H new ATOM 0 HB3 GLN A 86 19.079 -1.430 -14.232 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.876 0.123 -16.431 1.00 73.05 H new ATOM 0 HG3 GLN A 86 17.174 -0.214 -16.183 1.00 73.05 H new ATOM 0 HE21 GLN A 86 16.143 0.426 -14.197 1.00 61.43 H new ATOM 0 HE22 GLN A 86 16.841 1.715 -13.210 1.00 61.43 H new ATOM 1330 N GLY A 87 18.781 -4.683 -15.437 1.00 0.43 N ATOM 1331 CA GLY A 87 19.078 -5.964 -14.825 1.00 2.32 C ATOM 1332 C GLY A 87 18.377 -6.146 -13.493 1.00 44.42 C ATOM 1333 O GLY A 87 18.898 -6.808 -12.594 1.00 32.22 O ATOM 0 H GLY A 87 17.842 -4.602 -15.826 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.779 -6.765 -15.502 1.00 2.32 H new ATOM 0 HA3 GLY A 87 20.155 -6.054 -14.681 1.00 2.32 H new ATOM 1337 N LYS A 88 17.192 -5.559 -13.365 1.00 21.33 N ATOM 1338 CA LYS A 88 16.418 -5.660 -12.133 1.00 11.34 C ATOM 1339 C LYS A 88 15.745 -7.025 -12.023 1.00 1.12 C ATOM 1340 O LYS A 88 15.590 -7.564 -10.928 1.00 61.44 O ATOM 1341 CB LYS A 88 15.363 -4.553 -12.079 1.00 75.34 C ATOM 1342 CG LYS A 88 15.931 -3.160 -12.289 1.00 24.51 C ATOM 1343 CD LYS A 88 16.522 -2.599 -11.007 1.00 73.13 C ATOM 1344 CE LYS A 88 17.970 -2.175 -11.199 1.00 11.13 C ATOM 1345 NZ LYS A 88 18.537 -1.565 -9.964 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.747 -5.008 -14.099 1.00 21.33 H new ATOM 0 HA LYS A 88 17.102 -5.544 -11.292 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.607 -4.746 -12.840 1.00 75.34 H new ATOM 0 HB3 LYS A 88 14.860 -4.589 -11.113 1.00 75.34 H new ATOM 0 HG2 LYS A 88 16.700 -3.192 -13.061 1.00 24.51 H new ATOM 0 HG3 LYS A 88 15.145 -2.496 -12.649 1.00 24.51 H new ATOM 0 HD2 LYS A 88 15.932 -1.744 -10.677 1.00 73.13 H new ATOM 0 HD3 LYS A 88 16.463 -3.350 -10.219 1.00 73.13 H new ATOM 0 HE2 LYS A 88 18.567 -3.041 -11.484 1.00 11.13 H new ATOM 0 HE3 LYS A 88 18.034 -1.460 -12.019 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 19.525 -1.289 -10.135 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 17.982 -0.724 -9.706 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 18.500 -2.255 -9.187 1.00 30.44 H new ATOM 1359 N ILE A 89 15.348 -7.576 -13.165 1.00 4.34 N ATOM 1360 CA ILE A 89 14.694 -8.879 -13.196 1.00 61.10 C ATOM 1361 C ILE A 89 15.644 -9.959 -13.701 1.00 40.34 C ATOM 1362 O ILE A 89 16.196 -9.852 -14.796 1.00 73.31 O ATOM 1363 CB ILE A 89 13.439 -8.857 -14.089 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.637 -7.577 -13.848 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.580 -10.085 -13.824 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.541 -7.350 -14.865 1.00 63.11 C ATOM 0 H ILE A 89 15.467 -7.141 -14.080 1.00 4.34 H new ATOM 0 HA ILE A 89 14.398 -9.108 -12.172 1.00 61.10 H new ATOM 0 HB ILE A 89 13.753 -8.875 -15.133 1.00 34.53 H new ATOM 0 HG12 ILE A 89 12.195 -7.617 -12.852 1.00 63.53 H new ATOM 0 HG13 ILE A 89 13.316 -6.725 -13.861 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.697 -10.056 -14.462 1.00 22.12 H new ATOM 0 HG22 ILE A 89 13.155 -10.985 -14.041 1.00 22.12 H new ATOM 0 HG23 ILE A 89 12.272 -10.095 -12.778 1.00 22.12 H new ATOM 0 HD11 ILE A 89 11.014 -6.425 -14.632 1.00 63.11 H new ATOM 0 HD12 ILE A 89 11.978 -7.278 -15.861 1.00 63.11 H new ATOM 0 HD13 ILE A 89 10.840 -8.184 -14.836 1.00 63.11 H new ATOM 1378 N GLU A 90 15.829 -11.000 -12.896 1.00 44.31 N ATOM 1379 CA GLU A 90 16.714 -12.101 -13.262 1.00 3.44 C ATOM 1380 C GLU A 90 15.936 -13.214 -13.960 1.00 63.21 C ATOM 1381 O GLU A 90 14.753 -13.424 -13.689 1.00 12.42 O ATOM 1382 CB GLU A 90 17.415 -12.656 -12.021 1.00 21.54 C ATOM 1383 CG GLU A 90 18.906 -12.368 -11.985 1.00 21.32 C ATOM 1384 CD GLU A 90 19.743 -13.631 -11.939 1.00 53.14 C ATOM 1385 OE1 GLU A 90 19.658 -14.362 -10.929 1.00 2.24 O ATOM 1386 OE2 GLU A 90 20.484 -13.890 -12.911 1.00 73.11 O1- ATOM 0 H GLU A 90 15.379 -11.105 -11.987 1.00 44.31 H new ATOM 0 HA GLU A 90 17.465 -11.716 -13.952 1.00 3.44 H new ATOM 0 HB2 GLU A 90 16.950 -12.232 -11.131 1.00 21.54 H new ATOM 0 HB3 GLU A 90 17.261 -13.734 -11.978 1.00 21.54 H new ATOM 0 HG2 GLU A 90 19.181 -11.786 -12.865 1.00 21.32 H new ATOM 0 HG3 GLU A 90 19.133 -11.754 -11.113 1.00 21.32 H new ATOM 1393 N LEU A 91 16.609 -13.922 -14.860 1.00 41.35 N ATOM 1394 CA LEU A 91 15.982 -15.012 -15.599 1.00 12.31 C ATOM 1395 C LEU A 91 16.599 -16.354 -15.216 1.00 71.23 C ATOM 1396 O LEU A 91 17.808 -16.552 -15.344 1.00 24.34 O ATOM 1397 CB LEU A 91 16.125 -14.784 -17.104 1.00 34.35 C ATOM 1398 CG LEU A 91 15.665 -13.421 -17.623 1.00 43.14 C ATOM 1399 CD1 LEU A 91 15.987 -13.275 -19.102 1.00 21.14 C ATOM 1400 CD2 LEU A 91 14.175 -13.232 -17.378 1.00 15.23 C ATOM 0 H LEU A 91 17.588 -13.761 -15.096 1.00 41.35 H new ATOM 0 HA LEU A 91 14.923 -15.031 -15.340 1.00 12.31 H new ATOM 0 HB2 LEU A 91 17.173 -14.918 -17.374 1.00 34.35 H new ATOM 0 HB3 LEU A 91 15.560 -15.558 -17.624 1.00 34.35 H new ATOM 0 HG LEU A 91 16.204 -12.646 -17.078 1.00 43.14 H new ATOM 0 HD11 LEU A 91 15.652 -12.299 -19.453 1.00 21.14 H new ATOM 0 HD12 LEU A 91 17.063 -13.364 -19.251 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.477 -14.057 -19.664 1.00 21.14 H new ATOM 0 HD21 LEU A 91 13.865 -12.257 -17.754 1.00 15.23 H new ATOM 0 HD22 LEU A 91 13.619 -14.014 -17.896 1.00 15.23 H new ATOM 0 HD23 LEU A 91 13.972 -13.290 -16.309 1.00 15.23 H new ATOM 1412 N SER A 92 15.761 -17.274 -14.748 1.00 62.30 N ATOM 1413 CA SER A 92 16.224 -18.596 -14.346 1.00 12.01 C ATOM 1414 C SER A 92 15.338 -19.686 -14.939 1.00 53.43 C ATOM 1415 O SER A 92 14.174 -19.830 -14.564 1.00 42.11 O ATOM 1416 CB SER A 92 16.241 -18.711 -12.820 1.00 32.04 C ATOM 1417 OG SER A 92 15.840 -17.495 -12.213 1.00 24.24 O ATOM 0 H SER A 92 14.758 -17.127 -14.638 1.00 62.30 H new ATOM 0 HA SER A 92 17.237 -18.730 -14.725 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.576 -19.515 -12.505 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.243 -18.976 -12.483 1.00 32.04 H new ATOM 0 HG SER A 92 14.925 -17.278 -12.488 1.00 24.24 H new ATOM 1423 N GLY A 93 15.895 -20.454 -15.870 1.00 72.14 N ATOM 1424 CA GLY A 93 15.142 -21.521 -16.503 1.00 41.14 C ATOM 1425 C GLY A 93 14.900 -21.266 -17.977 1.00 52.41 C ATOM 1426 O GLY A 93 15.704 -21.660 -18.822 1.00 72.03 O ATOM 0 H GLY A 93 16.856 -20.356 -16.198 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.680 -22.461 -16.384 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.184 -21.636 -15.996 1.00 41.14 H new ATOM 1430 N ASP A 94 13.789 -20.607 -18.287 1.00 50.01 N ATOM 1431 CA ASP A 94 13.442 -20.301 -19.670 1.00 42.00 C ATOM 1432 C ASP A 94 13.078 -18.828 -19.824 1.00 61.22 C ATOM 1433 O ASP A 94 11.942 -18.429 -19.570 1.00 24.31 O ATOM 1434 CB ASP A 94 12.278 -21.179 -20.132 1.00 44.20 C ATOM 1435 CG ASP A 94 12.608 -21.962 -21.388 1.00 62.13 C ATOM 1436 OD1 ASP A 94 13.600 -22.719 -21.371 1.00 22.23 O ATOM 1437 OD2 ASP A 94 11.872 -21.819 -22.386 1.00 42.01 O1- ATOM 0 H ASP A 94 13.113 -20.274 -17.599 1.00 50.01 H new ATOM 0 HA ASP A 94 14.312 -20.509 -20.293 1.00 42.00 H new ATOM 0 HB2 ASP A 94 12.011 -21.872 -19.335 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.405 -20.553 -20.316 1.00 44.20 H new ATOM 1442 N ALA A 95 14.050 -18.024 -20.243 1.00 52.22 N ATOM 1443 CA ALA A 95 13.832 -16.595 -20.432 1.00 61.03 C ATOM 1444 C ALA A 95 12.678 -16.340 -21.396 1.00 63.24 C ATOM 1445 O ALA A 95 11.968 -15.341 -21.278 1.00 24.01 O ATOM 1446 CB ALA A 95 15.103 -15.929 -20.938 1.00 22.22 C ATOM 0 H ALA A 95 14.996 -18.338 -20.458 1.00 52.22 H new ATOM 0 HA ALA A 95 13.568 -16.161 -19.467 1.00 61.03 H new ATOM 0 HB1 ALA A 95 14.925 -14.862 -21.075 1.00 22.22 H new ATOM 0 HB2 ALA A 95 15.903 -16.074 -20.212 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.392 -16.373 -21.890 1.00 22.22 H new ATOM 1452 N ASP A 96 12.498 -17.246 -22.350 1.00 31.21 N ATOM 1453 CA ASP A 96 11.430 -17.119 -23.334 1.00 63.04 C ATOM 1454 C ASP A 96 10.064 -17.109 -22.656 1.00 71.11 C ATOM 1455 O ASP A 96 9.219 -16.262 -22.948 1.00 42.54 O ATOM 1456 CB ASP A 96 11.503 -18.263 -24.347 1.00 13.52 C ATOM 1457 CG ASP A 96 11.729 -17.769 -25.763 1.00 14.13 C ATOM 1458 OD1 ASP A 96 11.083 -16.775 -26.155 1.00 42.02 O ATOM 1459 OD2 ASP A 96 12.554 -18.377 -26.478 1.00 51.14 O1- ATOM 0 H ASP A 96 13.078 -18.077 -22.463 1.00 31.21 H new ATOM 0 HA ASP A 96 11.562 -16.172 -23.857 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.310 -18.940 -24.068 1.00 13.52 H new ATOM 0 HB3 ASP A 96 10.578 -18.838 -24.309 1.00 13.52 H new ATOM 1464 N LEU A 97 9.853 -18.058 -21.749 1.00 21.24 N ATOM 1465 CA LEU A 97 8.588 -18.159 -21.030 1.00 53.03 C ATOM 1466 C LEU A 97 8.292 -16.874 -20.264 1.00 34.03 C ATOM 1467 O LEU A 97 7.195 -16.325 -20.355 1.00 22.40 O ATOM 1468 CB LEU A 97 8.623 -19.344 -20.063 1.00 23.04 C ATOM 1469 CG LEU A 97 7.674 -20.501 -20.386 1.00 32.22 C ATOM 1470 CD1 LEU A 97 7.792 -21.595 -19.336 1.00 33.50 C ATOM 1471 CD2 LEU A 97 6.240 -20.002 -20.481 1.00 13.34 C ATOM 0 H LEU A 97 10.541 -18.767 -21.495 1.00 21.24 H new ATOM 0 HA LEU A 97 7.795 -18.315 -21.761 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.641 -19.733 -20.032 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.391 -18.978 -19.063 1.00 23.04 H new ATOM 0 HG LEU A 97 7.956 -20.921 -21.352 1.00 32.22 H new ATOM 0 HD11 LEU A 97 7.111 -22.410 -19.581 1.00 33.50 H new ATOM 0 HD12 LEU A 97 8.815 -21.971 -19.316 1.00 33.50 H new ATOM 0 HD13 LEU A 97 7.535 -21.189 -18.357 1.00 33.50 H new ATOM 0 HD21 LEU A 97 5.579 -20.837 -20.711 1.00 13.34 H new ATOM 0 HD22 LEU A 97 5.946 -19.557 -19.530 1.00 13.34 H new ATOM 0 HD23 LEU A 97 6.167 -19.253 -21.270 1.00 13.34 H new ATOM 1483 N ALA A 98 9.279 -16.397 -19.513 1.00 51.02 N ATOM 1484 CA ALA A 98 9.126 -15.174 -18.736 1.00 72.21 C ATOM 1485 C ALA A 98 8.912 -13.969 -19.645 1.00 74.34 C ATOM 1486 O ALA A 98 8.010 -13.163 -19.422 1.00 70.15 O ATOM 1487 CB ALA A 98 10.342 -14.958 -17.846 1.00 43.44 C ATOM 0 H ALA A 98 10.194 -16.840 -19.426 1.00 51.02 H new ATOM 0 HA ALA A 98 8.243 -15.281 -18.106 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.214 -14.041 -17.271 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.448 -15.802 -17.164 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.236 -14.877 -18.465 1.00 43.44 H new ATOM 1493 N ALA A 99 9.749 -13.851 -20.672 1.00 41.25 N ATOM 1494 CA ALA A 99 9.651 -12.745 -21.615 1.00 41.24 C ATOM 1495 C ALA A 99 8.244 -12.641 -22.194 1.00 64.45 C ATOM 1496 O ALA A 99 7.757 -11.547 -22.479 1.00 63.22 O ATOM 1497 CB ALA A 99 10.672 -12.911 -22.731 1.00 14.33 C ATOM 0 H ALA A 99 10.503 -14.509 -20.871 1.00 41.25 H new ATOM 0 HA ALA A 99 9.864 -11.821 -21.077 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.588 -12.078 -23.428 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.676 -12.928 -22.306 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.485 -13.846 -23.259 1.00 14.33 H new ATOM 1503 N LYS A 100 7.594 -13.787 -22.367 1.00 1.23 N ATOM 1504 CA LYS A 100 6.242 -13.827 -22.911 1.00 72.44 C ATOM 1505 C LYS A 100 5.260 -13.123 -21.980 1.00 13.34 C ATOM 1506 O LYS A 100 4.241 -12.590 -22.423 1.00 61.21 O ATOM 1507 CB LYS A 100 5.801 -15.275 -23.134 1.00 31.43 C ATOM 1508 CG LYS A 100 4.510 -15.403 -23.922 1.00 4.53 C ATOM 1509 CD LYS A 100 4.478 -16.687 -24.735 1.00 22.41 C ATOM 1510 CE LYS A 100 3.806 -17.816 -23.968 1.00 35.11 C ATOM 1511 NZ LYS A 100 4.543 -19.101 -24.115 1.00 40.13 N1+ ATOM 0 H LYS A 100 7.983 -14.702 -22.138 1.00 1.23 H new ATOM 0 HA LYS A 100 6.247 -13.305 -23.868 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.592 -15.810 -23.659 1.00 31.43 H new ATOM 0 HB3 LYS A 100 5.676 -15.761 -22.166 1.00 31.43 H new ATOM 0 HG2 LYS A 100 3.662 -15.383 -23.238 1.00 4.53 H new ATOM 0 HG3 LYS A 100 4.403 -14.547 -24.588 1.00 4.53 H new ATOM 0 HD2 LYS A 100 3.945 -16.514 -25.670 1.00 22.41 H new ATOM 0 HD3 LYS A 100 5.495 -16.979 -24.997 1.00 22.41 H new ATOM 0 HE2 LYS A 100 3.744 -17.551 -22.912 1.00 35.11 H new ATOM 0 HE3 LYS A 100 2.784 -17.940 -24.326 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 4.054 -19.845 -23.578 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 4.580 -19.367 -25.120 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 5.511 -18.990 -23.750 1.00 40.13 H new ATOM 1525 N LEU A 101 5.572 -13.122 -20.690 1.00 12.30 N ATOM 1526 CA LEU A 101 4.718 -12.482 -19.695 1.00 3.23 C ATOM 1527 C LEU A 101 4.805 -10.962 -19.800 1.00 62.45 C ATOM 1528 O LEU A 101 3.792 -10.282 -19.956 1.00 14.21 O ATOM 1529 CB LEU A 101 5.114 -12.931 -18.288 1.00 62.20 C ATOM 1530 CG LEU A 101 4.062 -13.729 -17.518 1.00 45.40 C ATOM 1531 CD1 LEU A 101 4.531 -13.999 -16.096 1.00 50.44 C ATOM 1532 CD2 LEU A 101 2.731 -12.991 -17.510 1.00 34.24 C ATOM 0 H LEU A 101 6.411 -13.558 -20.307 1.00 12.30 H new ATOM 0 HA LEU A 101 3.688 -12.783 -19.889 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.018 -13.536 -18.362 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.369 -12.047 -17.704 1.00 62.20 H new ATOM 0 HG LEU A 101 3.921 -14.686 -18.021 1.00 45.40 H new ATOM 0 HD11 LEU A 101 3.769 -14.568 -15.563 1.00 50.44 H new ATOM 0 HD12 LEU A 101 5.459 -14.570 -16.121 1.00 50.44 H new ATOM 0 HD13 LEU A 101 4.701 -13.052 -15.583 1.00 50.44 H new ATOM 0 HD21 LEU A 101 1.995 -13.575 -16.957 1.00 34.24 H new ATOM 0 HD22 LEU A 101 2.857 -12.019 -17.032 1.00 34.24 H new ATOM 0 HD23 LEU A 101 2.387 -12.850 -18.535 1.00 34.24 H new ATOM 1544 N ALA A 102 6.024 -10.437 -19.717 1.00 31.42 N ATOM 1545 CA ALA A 102 6.244 -8.999 -19.806 1.00 1.32 C ATOM 1546 C ALA A 102 5.547 -8.413 -21.029 1.00 62.44 C ATOM 1547 O ALA A 102 5.103 -7.266 -21.010 1.00 20.35 O ATOM 1548 CB ALA A 102 7.734 -8.695 -19.849 1.00 64.24 C ATOM 0 H ALA A 102 6.874 -10.987 -19.588 1.00 31.42 H new ATOM 0 HA ALA A 102 5.815 -8.534 -18.918 1.00 1.32 H new ATOM 0 HB1 ALA A 102 7.884 -7.617 -19.915 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.209 -9.072 -18.943 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.179 -9.177 -20.719 1.00 64.24 H new ATOM 1554 N GLU A 103 5.456 -9.207 -22.091 1.00 45.13 N ATOM 1555 CA GLU A 103 4.814 -8.765 -23.323 1.00 0.13 C ATOM 1556 C GLU A 103 3.388 -8.293 -23.054 1.00 54.13 C ATOM 1557 O GLU A 103 2.877 -7.405 -23.736 1.00 43.44 O ATOM 1558 CB GLU A 103 4.804 -9.895 -24.353 1.00 65.34 C ATOM 1559 CG GLU A 103 3.510 -10.691 -24.371 1.00 71.40 C ATOM 1560 CD GLU A 103 2.430 -10.031 -25.204 1.00 43.23 C ATOM 1561 OE1 GLU A 103 1.240 -10.349 -24.994 1.00 35.33 O ATOM 1562 OE2 GLU A 103 2.772 -9.197 -26.068 1.00 44.42 O1- ATOM 0 H GLU A 103 5.819 -10.160 -22.123 1.00 45.13 H new ATOM 0 HA GLU A 103 5.386 -7.927 -23.721 1.00 0.13 H new ATOM 0 HB2 GLU A 103 4.975 -9.474 -25.344 1.00 65.34 H new ATOM 0 HB3 GLU A 103 5.634 -10.571 -24.146 1.00 65.34 H new ATOM 0 HG2 GLU A 103 3.707 -11.689 -24.763 1.00 71.40 H new ATOM 0 HG3 GLU A 103 3.150 -10.816 -23.350 1.00 71.40 H new ATOM 1569 N VAL A 104 2.750 -8.894 -22.056 1.00 33.41 N ATOM 1570 CA VAL A 104 1.383 -8.536 -21.696 1.00 23.33 C ATOM 1571 C VAL A 104 1.352 -7.265 -20.855 1.00 20.50 C ATOM 1572 O VAL A 104 0.319 -6.602 -20.754 1.00 4.15 O ATOM 1573 CB VAL A 104 0.693 -9.671 -20.916 1.00 33.51 C ATOM 1574 CG1 VAL A 104 1.036 -9.589 -19.437 1.00 74.10 C ATOM 1575 CG2 VAL A 104 -0.813 -9.623 -21.127 1.00 43.11 C ATOM 0 H VAL A 104 3.158 -9.632 -21.482 1.00 33.41 H new ATOM 0 HA VAL A 104 0.844 -8.365 -22.628 1.00 23.33 H new ATOM 0 HB VAL A 104 1.060 -10.625 -21.296 1.00 33.51 H new ATOM 0 HG11 VAL A 104 0.539 -10.399 -18.903 1.00 74.10 H new ATOM 0 HG12 VAL A 104 2.115 -9.677 -19.308 1.00 74.10 H new ATOM 0 HG13 VAL A 104 0.700 -8.632 -19.038 1.00 74.10 H new ATOM 0 HG21 VAL A 104 -1.285 -10.432 -20.569 1.00 43.11 H new ATOM 0 HG22 VAL A 104 -1.199 -8.666 -20.776 1.00 43.11 H new ATOM 0 HG23 VAL A 104 -1.036 -9.736 -22.188 1.00 43.11 H new ATOM 1585 N ILE A 105 2.488 -6.930 -20.254 1.00 64.50 N ATOM 1586 CA ILE A 105 2.590 -5.737 -19.423 1.00 64.45 C ATOM 1587 C ILE A 105 2.137 -4.497 -20.185 1.00 25.40 C ATOM 1588 O ILE A 105 1.720 -3.505 -19.586 1.00 74.01 O ATOM 1589 CB ILE A 105 4.032 -5.521 -18.924 1.00 25.25 C ATOM 1590 CG1 ILE A 105 4.021 -4.911 -17.521 1.00 71.41 C ATOM 1591 CG2 ILE A 105 4.798 -4.629 -19.890 1.00 10.31 C ATOM 1592 CD1 ILE A 105 4.530 -5.851 -16.451 1.00 20.20 C ATOM 0 H ILE A 105 3.351 -7.468 -20.327 1.00 64.50 H new ATOM 0 HA ILE A 105 1.936 -5.892 -18.565 1.00 64.45 H new ATOM 0 HB ILE A 105 4.535 -6.487 -18.876 1.00 25.25 H new ATOM 0 HG12 ILE A 105 4.632 -4.008 -17.521 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.004 -4.608 -17.273 1.00 71.41 H new ATOM 0 HG21 ILE A 105 5.815 -4.485 -19.524 1.00 10.31 H new ATOM 0 HG22 ILE A 105 4.829 -5.099 -20.873 1.00 10.31 H new ATOM 0 HG23 ILE A 105 4.300 -3.662 -19.966 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.494 -5.353 -15.482 1.00 20.20 H new ATOM 0 HD12 ILE A 105 3.905 -6.744 -16.424 1.00 20.20 H new ATOM 0 HD13 ILE A 105 5.558 -6.135 -16.675 1.00 20.20 H new