USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 877 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 63 TYR OH : rot -38:sc= 0.898 USER MOD Set 1.2: A 65 CYS SG : rot 180:sc= 0.56 USER MOD Set 1.3: A 68 LYS NZ :NH3+ 170:sc=-0.000395 (180deg=-0.138) USER MOD Set 2.1: A 23 THR OG1 : rot -66:sc= -1.39 USER MOD Set 2.2: A 43 LYS NZ :NH3+ -127:sc= -0.344 (180deg=-3.1!) USER MOD Set 3.1: A 5 MET CE :methyl -105:sc= -1.29 (180deg=-4.57!) USER MOD Set 3.2: A 90 SER OG : rot 59:sc= 0.536 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.91 K(o=-0.91,f=-2.5!) USER MOD Single : A 11 CYS SG : rot 49:sc= -1.46 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0222) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -117:sc= 1.05 (180deg=-0.723) USER MOD Single : A 45 ASN : amide:sc= -1.04 K(o=-1,f=-4.5!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.866 USER MOD Single : A 67 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.4!) USER MOD Single : A 70 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.36) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 81:sc= 0.303 USER MOD Single : A 87 TYR OH : rot 126:sc= 0.414 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -156:sc= -0.649 (180deg=-1.15) USER MOD Single : A 102 THR OG1 : rot 180:sc= -2.74! USER MOD Single : A 109 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1.4) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 2.658 -1.725 -0.809 1.00 3.11 N ATOM 19 CA ALA A 2 3.483 -2.918 -0.957 1.00 1.42 C ATOM 20 C ALA A 2 3.318 -3.851 0.238 1.00 5.41 C ATOM 21 O ALA A 2 3.630 -3.484 1.371 1.00 20.42 O ATOM 22 CB ALA A 2 4.944 -2.531 -1.129 1.00 44.44 C ATOM 0 HA ALA A 2 3.152 -3.450 -1.849 1.00 1.42 H new ATOM 0 HB1 ALA A 2 5.548 -3.431 -1.238 1.00 44.44 H new ATOM 0 HB2 ALA A 2 5.054 -1.910 -2.018 1.00 44.44 H new ATOM 0 HB3 ALA A 2 5.278 -1.974 -0.254 1.00 44.44 H new ATOM 28 N SER A 3 2.826 -5.057 -0.023 1.00 23.53 N ATOM 29 CA SER A 3 2.616 -6.042 1.033 1.00 40.44 C ATOM 30 C SER A 3 1.570 -5.553 2.030 1.00 72.40 C ATOM 31 O SER A 3 1.325 -4.354 2.153 1.00 74.14 O ATOM 32 CB SER A 3 3.932 -6.332 1.757 1.00 35.44 C ATOM 33 OG SER A 3 3.821 -7.488 2.571 1.00 41.52 O ATOM 0 H SER A 3 2.565 -5.376 -0.956 1.00 23.53 H new ATOM 0 HA SER A 3 2.253 -6.961 0.573 1.00 40.44 H new ATOM 0 HB2 SER A 3 4.729 -6.472 1.027 1.00 35.44 H new ATOM 0 HB3 SER A 3 4.209 -5.476 2.372 1.00 35.44 H new ATOM 0 HG SER A 3 4.675 -7.654 3.022 1.00 41.52 H new ATOM 39 N GLY A 4 0.955 -6.494 2.741 1.00 1.24 N ATOM 40 CA GLY A 4 -0.058 -6.141 3.719 1.00 62.11 C ATOM 41 C GLY A 4 -1.118 -5.220 3.149 1.00 73.45 C ATOM 42 O GLY A 4 -1.703 -4.414 3.871 1.00 32.00 O ATOM 0 H GLY A 4 1.140 -7.494 2.657 1.00 1.24 H new ATOM 0 HA2 GLY A 4 -0.532 -7.049 4.091 1.00 62.11 H new ATOM 0 HA3 GLY A 4 0.418 -5.658 4.572 1.00 62.11 H new ATOM 46 N MET A 5 -1.366 -5.339 1.848 1.00 23.32 N ATOM 47 CA MET A 5 -2.363 -4.510 1.181 1.00 30.15 C ATOM 48 C MET A 5 -3.698 -4.569 1.917 1.00 52.32 C ATOM 49 O MET A 5 -4.033 -5.577 2.536 1.00 21.43 O ATOM 50 CB MET A 5 -2.546 -4.962 -0.269 1.00 1.23 C ATOM 51 CG MET A 5 -1.885 -4.039 -1.280 1.00 72.54 C ATOM 52 SD MET A 5 -0.166 -3.680 -0.873 1.00 40.41 S ATOM 53 CE MET A 5 -0.316 -2.027 -0.199 1.00 55.25 C ATOM 0 H MET A 5 -0.890 -6.001 1.235 1.00 23.32 H new ATOM 0 HA MET A 5 -2.008 -3.479 1.190 1.00 30.15 H new ATOM 0 HB2 MET A 5 -2.136 -5.966 -0.383 1.00 1.23 H new ATOM 0 HB3 MET A 5 -3.612 -5.026 -0.490 1.00 1.23 H new ATOM 0 HG2 MET A 5 -1.932 -4.496 -2.268 1.00 72.54 H new ATOM 0 HG3 MET A 5 -2.444 -3.105 -1.333 1.00 72.54 H new ATOM 0 HE1 MET A 5 0.051 -1.303 -0.926 1.00 55.25 H new ATOM 0 HE2 MET A 5 -1.362 -1.819 0.024 1.00 55.25 H new ATOM 0 HE3 MET A 5 0.272 -1.952 0.716 1.00 55.25 H new ATOM 63 N GLY A 6 -4.457 -3.479 1.844 1.00 74.52 N ATOM 64 CA GLY A 6 -5.747 -3.428 2.508 1.00 60.35 C ATOM 65 C GLY A 6 -6.884 -3.852 1.599 1.00 41.22 C ATOM 66 O GLY A 6 -7.354 -3.068 0.774 1.00 62.33 O ATOM 0 H GLY A 6 -4.202 -2.631 1.337 1.00 74.52 H new ATOM 0 HA2 GLY A 6 -5.727 -4.075 3.385 1.00 60.35 H new ATOM 0 HA3 GLY A 6 -5.929 -2.414 2.864 1.00 60.35 H new ATOM 70 N VAL A 7 -7.327 -5.096 1.748 1.00 20.24 N ATOM 71 CA VAL A 7 -8.416 -5.623 0.934 1.00 25.21 C ATOM 72 C VAL A 7 -9.758 -5.049 1.373 1.00 21.22 C ATOM 73 O VAL A 7 -10.315 -5.456 2.393 1.00 3.31 O ATOM 74 CB VAL A 7 -8.478 -7.160 1.008 1.00 72.43 C ATOM 75 CG1 VAL A 7 -7.323 -7.780 0.236 1.00 41.40 C ATOM 76 CG2 VAL A 7 -8.472 -7.625 2.456 1.00 10.44 C ATOM 0 H VAL A 7 -6.948 -5.758 2.425 1.00 20.24 H new ATOM 0 HA VAL A 7 -8.216 -5.324 -0.095 1.00 25.21 H new ATOM 0 HB VAL A 7 -9.409 -7.490 0.548 1.00 72.43 H new ATOM 0 HG11 VAL A 7 -7.384 -8.866 0.300 1.00 41.40 H new ATOM 0 HG12 VAL A 7 -7.378 -7.474 -0.809 1.00 41.40 H new ATOM 0 HG13 VAL A 7 -6.378 -7.444 0.663 1.00 41.40 H new ATOM 0 HG21 VAL A 7 -8.516 -8.714 2.489 1.00 10.44 H new ATOM 0 HG22 VAL A 7 -7.559 -7.284 2.944 1.00 10.44 H new ATOM 0 HG23 VAL A 7 -9.337 -7.211 2.975 1.00 10.44 H new ATOM 86 N ASP A 8 -10.273 -4.102 0.596 1.00 23.53 N ATOM 87 CA ASP A 8 -11.552 -3.473 0.904 1.00 44.33 C ATOM 88 C ASP A 8 -12.688 -4.153 0.146 1.00 0.35 C ATOM 89 O ASP A 8 -12.455 -4.879 -0.819 1.00 32.10 O ATOM 90 CB ASP A 8 -11.508 -1.984 0.555 1.00 73.34 C ATOM 91 CG ASP A 8 -12.369 -1.147 1.481 1.00 64.23 C ATOM 92 OD1 ASP A 8 -12.123 -1.174 2.705 1.00 31.31 O ATOM 93 OD2 ASP A 8 -13.287 -0.464 0.981 1.00 23.30 O ATOM 0 H ASP A 8 -9.825 -3.753 -0.251 1.00 23.53 H new ATOM 0 HA ASP A 8 -11.736 -3.583 1.973 1.00 44.33 H new ATOM 0 HB2 ASP A 8 -10.478 -1.632 0.605 1.00 73.34 H new ATOM 0 HB3 ASP A 8 -11.843 -1.845 -0.473 1.00 73.34 H new ATOM 98 N GLU A 9 -13.917 -3.912 0.593 1.00 40.04 N ATOM 99 CA GLU A 9 -15.089 -4.503 -0.043 1.00 21.25 C ATOM 100 C GLU A 9 -15.249 -3.992 -1.471 1.00 72.35 C ATOM 101 O GLU A 9 -16.004 -4.556 -2.262 1.00 72.13 O ATOM 102 CB GLU A 9 -16.348 -4.189 0.767 1.00 34.04 C ATOM 103 CG GLU A 9 -16.290 -4.687 2.202 1.00 60.54 C ATOM 104 CD GLU A 9 -17.281 -3.981 3.106 1.00 53.14 C ATOM 105 OE1 GLU A 9 -18.053 -3.141 2.599 1.00 54.25 O ATOM 106 OE2 GLU A 9 -17.285 -4.269 4.321 1.00 43.21 O ATOM 0 H GLU A 9 -14.127 -3.313 1.391 1.00 40.04 H new ATOM 0 HA GLU A 9 -14.947 -5.583 -0.076 1.00 21.25 H new ATOM 0 HB2 GLU A 9 -16.507 -3.111 0.772 1.00 34.04 H new ATOM 0 HB3 GLU A 9 -17.210 -4.636 0.271 1.00 34.04 H new ATOM 0 HG2 GLU A 9 -16.488 -5.759 2.219 1.00 60.54 H new ATOM 0 HG3 GLU A 9 -15.282 -4.543 2.592 1.00 60.54 H new ATOM 113 N ASN A 10 -14.533 -2.920 -1.794 1.00 70.11 N ATOM 114 CA ASN A 10 -14.596 -2.332 -3.127 1.00 51.40 C ATOM 115 C ASN A 10 -14.074 -3.307 -4.178 1.00 1.14 C ATOM 116 O ASN A 10 -14.797 -3.690 -5.098 1.00 35.34 O ATOM 117 CB ASN A 10 -13.787 -1.034 -3.173 1.00 12.30 C ATOM 118 CG ASN A 10 -14.370 0.043 -2.278 1.00 54.14 C ATOM 119 OD1 ASN A 10 -13.676 0.605 -1.432 1.00 11.54 O ATOM 120 ND2 ASN A 10 -15.653 0.335 -2.463 1.00 22.31 N ATOM 0 H ASN A 10 -13.903 -2.441 -1.151 1.00 70.11 H new ATOM 0 HA ASN A 10 -15.640 -2.110 -3.350 1.00 51.40 H new ATOM 0 HB2 ASN A 10 -12.760 -1.238 -2.870 1.00 12.30 H new ATOM 0 HB3 ASN A 10 -13.749 -0.669 -4.199 1.00 12.30 H new ATOM 0 HD21 ASN A 10 -16.101 1.051 -1.891 1.00 22.31 H new ATOM 0 HD22 ASN A 10 -16.190 -0.157 -3.177 1.00 22.31 H new ATOM 127 N CYS A 11 -12.815 -3.704 -4.033 1.00 63.45 N ATOM 128 CA CYS A 11 -12.195 -4.635 -4.970 1.00 21.30 C ATOM 129 C CYS A 11 -13.142 -5.784 -5.302 1.00 23.14 C ATOM 130 O CYS A 11 -13.459 -6.025 -6.466 1.00 41.35 O ATOM 131 CB CYS A 11 -10.891 -5.184 -4.388 1.00 74.31 C ATOM 132 SG CYS A 11 -9.605 -5.493 -5.621 1.00 0.33 S ATOM 0 H CYS A 11 -12.204 -3.396 -3.277 1.00 63.45 H new ATOM 0 HA CYS A 11 -11.974 -4.093 -5.890 1.00 21.30 H new ATOM 0 HB2 CYS A 11 -10.510 -4.478 -3.650 1.00 74.31 H new ATOM 0 HB3 CYS A 11 -11.104 -6.114 -3.860 1.00 74.31 H new ATOM 0 HG CYS A 11 -9.474 -4.448 -6.383 1.00 0.33 H new ATOM 138 N VAL A 12 -13.589 -6.492 -4.269 1.00 61.33 N ATOM 139 CA VAL A 12 -14.499 -7.617 -4.451 1.00 11.24 C ATOM 140 C VAL A 12 -15.690 -7.225 -5.317 1.00 75.34 C ATOM 141 O VAL A 12 -16.004 -7.898 -6.299 1.00 55.31 O ATOM 142 CB VAL A 12 -15.014 -8.146 -3.099 1.00 24.02 C ATOM 143 CG1 VAL A 12 -15.902 -9.364 -3.305 1.00 2.51 C ATOM 144 CG2 VAL A 12 -13.849 -8.476 -2.178 1.00 4.52 C ATOM 0 H VAL A 12 -13.336 -6.307 -3.298 1.00 61.33 H new ATOM 0 HA VAL A 12 -13.934 -8.404 -4.950 1.00 11.24 H new ATOM 0 HB VAL A 12 -15.612 -7.366 -2.627 1.00 24.02 H new ATOM 0 HG11 VAL A 12 -16.256 -9.724 -2.339 1.00 2.51 H new ATOM 0 HG12 VAL A 12 -16.755 -9.091 -3.926 1.00 2.51 H new ATOM 0 HG13 VAL A 12 -15.331 -10.151 -3.798 1.00 2.51 H new ATOM 0 HG21 VAL A 12 -14.231 -8.848 -1.227 1.00 4.52 H new ATOM 0 HG22 VAL A 12 -13.223 -9.239 -2.642 1.00 4.52 H new ATOM 0 HG23 VAL A 12 -13.257 -7.578 -2.004 1.00 4.52 H new ATOM 154 N ALA A 13 -16.350 -6.133 -4.948 1.00 14.52 N ATOM 155 CA ALA A 13 -17.506 -5.649 -5.693 1.00 32.30 C ATOM 156 C ALA A 13 -17.224 -5.629 -7.191 1.00 61.14 C ATOM 157 O ALA A 13 -18.101 -5.930 -8.002 1.00 4.32 O ATOM 158 CB ALA A 13 -17.903 -4.262 -5.210 1.00 73.30 C ATOM 0 H ALA A 13 -16.104 -5.566 -4.137 1.00 14.52 H new ATOM 0 HA ALA A 13 -18.335 -6.334 -5.515 1.00 32.30 H new ATOM 0 HB1 ALA A 13 -18.767 -3.913 -5.775 1.00 73.30 H new ATOM 0 HB2 ALA A 13 -18.155 -4.304 -4.150 1.00 73.30 H new ATOM 0 HB3 ALA A 13 -17.071 -3.573 -5.358 1.00 73.30 H new ATOM 164 N ARG A 14 -15.996 -5.272 -7.553 1.00 23.43 N ATOM 165 CA ARG A 14 -15.599 -5.211 -8.954 1.00 72.23 C ATOM 166 C ARG A 14 -15.623 -6.600 -9.587 1.00 43.41 C ATOM 167 O ARG A 14 -16.304 -6.826 -10.587 1.00 74.11 O ATOM 168 CB ARG A 14 -14.201 -4.603 -9.085 1.00 35.21 C ATOM 169 CG ARG A 14 -13.975 -3.399 -8.186 1.00 22.04 C ATOM 170 CD ARG A 14 -15.082 -2.369 -8.344 1.00 40.24 C ATOM 171 NE ARG A 14 -15.766 -2.102 -7.082 1.00 53.21 N ATOM 172 CZ ARG A 14 -16.942 -1.489 -6.999 1.00 31.41 C ATOM 173 NH1 ARG A 14 -17.561 -1.083 -8.099 1.00 32.42 N ATOM 174 NH2 ARG A 14 -17.501 -1.283 -5.813 1.00 54.45 N ATOM 0 H ARG A 14 -15.259 -5.021 -6.895 1.00 23.43 H new ATOM 0 HA ARG A 14 -16.313 -4.578 -9.480 1.00 72.23 H new ATOM 0 HB2 ARG A 14 -13.459 -5.366 -8.850 1.00 35.21 H new ATOM 0 HB3 ARG A 14 -14.038 -4.308 -10.122 1.00 35.21 H new ATOM 0 HG2 ARG A 14 -13.925 -3.724 -7.147 1.00 22.04 H new ATOM 0 HG3 ARG A 14 -13.015 -2.942 -8.424 1.00 22.04 H new ATOM 0 HD2 ARG A 14 -14.661 -1.441 -8.731 1.00 40.24 H new ATOM 0 HD3 ARG A 14 -15.804 -2.723 -9.080 1.00 40.24 H new ATOM 0 HE ARG A 14 -15.317 -2.402 -6.217 1.00 53.21 H new ATOM 0 HH11 ARG A 14 -17.135 -1.241 -9.012 1.00 32.42 H new ATOM 0 HH12 ARG A 14 -18.464 -0.613 -8.032 1.00 32.42 H new ATOM 0 HH21 ARG A 14 -17.028 -1.595 -4.965 1.00 54.45 H new ATOM 0 HH22 ARG A 14 -18.404 -0.812 -5.750 1.00 54.45 H new ATOM 188 N PHE A 15 -14.873 -7.525 -8.998 1.00 32.40 N ATOM 189 CA PHE A 15 -14.807 -8.891 -9.505 1.00 23.24 C ATOM 190 C PHE A 15 -16.201 -9.504 -9.602 1.00 41.44 C ATOM 191 O PHE A 15 -16.435 -10.417 -10.393 1.00 12.42 O ATOM 192 CB PHE A 15 -13.922 -9.751 -8.599 1.00 50.05 C ATOM 193 CG PHE A 15 -14.637 -10.933 -8.010 1.00 12.22 C ATOM 194 CD1 PHE A 15 -14.781 -12.105 -8.735 1.00 54.41 C ATOM 195 CD2 PHE A 15 -15.165 -10.872 -6.730 1.00 62.31 C ATOM 196 CE1 PHE A 15 -15.440 -13.193 -8.195 1.00 62.21 C ATOM 197 CE2 PHE A 15 -15.824 -11.958 -6.185 1.00 2.05 C ATOM 198 CZ PHE A 15 -15.960 -13.120 -6.918 1.00 35.32 C ATOM 0 H PHE A 15 -14.303 -7.354 -8.170 1.00 32.40 H new ATOM 0 HA PHE A 15 -14.373 -8.860 -10.504 1.00 23.24 H new ATOM 0 HB2 PHE A 15 -13.064 -10.104 -9.171 1.00 50.05 H new ATOM 0 HB3 PHE A 15 -13.533 -9.132 -7.791 1.00 50.05 H new ATOM 0 HD1 PHE A 15 -14.374 -12.169 -9.733 1.00 54.41 H new ATOM 0 HD2 PHE A 15 -15.060 -9.966 -6.152 1.00 62.31 H new ATOM 0 HE1 PHE A 15 -15.548 -14.100 -8.771 1.00 62.21 H new ATOM 0 HE2 PHE A 15 -16.232 -11.898 -5.187 1.00 2.05 H new ATOM 0 HZ PHE A 15 -16.472 -13.971 -6.493 1.00 35.32 H new ATOM 208 N ASN A 16 -17.123 -8.994 -8.792 1.00 42.30 N ATOM 209 CA ASN A 16 -18.494 -9.491 -8.786 1.00 1.54 C ATOM 210 C ASN A 16 -19.289 -8.908 -9.950 1.00 12.42 C ATOM 211 O ASN A 16 -20.297 -9.474 -10.370 1.00 55.12 O ATOM 212 CB ASN A 16 -19.178 -9.144 -7.462 1.00 1.33 C ATOM 213 CG ASN A 16 -19.855 -10.344 -6.829 1.00 55.02 C ATOM 214 OD1 ASN A 16 -19.453 -10.807 -5.762 1.00 64.42 O ATOM 215 ND2 ASN A 16 -20.891 -10.853 -7.487 1.00 24.42 N ATOM 0 H ASN A 16 -16.946 -8.237 -8.132 1.00 42.30 H new ATOM 0 HA ASN A 16 -18.462 -10.575 -8.898 1.00 1.54 H new ATOM 0 HB2 ASN A 16 -18.439 -8.740 -6.770 1.00 1.33 H new ATOM 0 HB3 ASN A 16 -19.917 -8.361 -7.632 1.00 1.33 H new ATOM 0 HD21 ASN A 16 -21.388 -11.660 -7.110 1.00 24.42 H new ATOM 0 HD22 ASN A 16 -21.190 -10.436 -8.369 1.00 24.42 H new ATOM 222 N GLU A 17 -18.827 -7.773 -10.466 1.00 11.12 N ATOM 223 CA GLU A 17 -19.496 -7.114 -11.581 1.00 41.43 C ATOM 224 C GLU A 17 -19.373 -7.943 -12.856 1.00 44.25 C ATOM 225 O GLU A 17 -20.354 -8.156 -13.569 1.00 73.51 O ATOM 226 CB GLU A 17 -18.906 -5.720 -11.807 1.00 62.01 C ATOM 227 CG GLU A 17 -19.115 -4.774 -10.637 1.00 0.41 C ATOM 228 CD GLU A 17 -20.408 -5.043 -9.893 1.00 34.13 C ATOM 229 OE1 GLU A 17 -20.443 -6.001 -9.092 1.00 3.44 O ATOM 230 OE2 GLU A 17 -21.386 -4.297 -10.111 1.00 63.32 O ATOM 0 H GLU A 17 -17.993 -7.292 -10.130 1.00 11.12 H new ATOM 0 HA GLU A 17 -20.553 -7.017 -11.331 1.00 41.43 H new ATOM 0 HB2 GLU A 17 -17.838 -5.814 -12.001 1.00 62.01 H new ATOM 0 HB3 GLU A 17 -19.355 -5.285 -12.700 1.00 62.01 H new ATOM 0 HG2 GLU A 17 -18.277 -4.866 -9.946 1.00 0.41 H new ATOM 0 HG3 GLU A 17 -19.117 -3.747 -11.001 1.00 0.41 H new ATOM 237 N LEU A 18 -18.160 -8.407 -13.138 1.00 52.12 N ATOM 238 CA LEU A 18 -17.907 -9.213 -14.328 1.00 3.43 C ATOM 239 C LEU A 18 -18.450 -10.627 -14.153 1.00 61.22 C ATOM 240 O LEU A 18 -18.724 -11.324 -15.131 1.00 11.24 O ATOM 241 CB LEU A 18 -16.407 -9.263 -14.624 1.00 2.24 C ATOM 242 CG LEU A 18 -15.499 -9.583 -13.436 1.00 23.03 C ATOM 243 CD1 LEU A 18 -14.822 -10.931 -13.629 1.00 42.04 C ATOM 244 CD2 LEU A 18 -14.462 -8.486 -13.246 1.00 44.33 C ATOM 0 H LEU A 18 -17.337 -8.239 -12.559 1.00 52.12 H new ATOM 0 HA LEU A 18 -18.422 -8.748 -15.169 1.00 3.43 H new ATOM 0 HB2 LEU A 18 -16.235 -10.010 -15.399 1.00 2.24 H new ATOM 0 HB3 LEU A 18 -16.106 -8.300 -15.037 1.00 2.24 H new ATOM 0 HG LEU A 18 -16.114 -9.634 -12.537 1.00 23.03 H new ATOM 0 HD11 LEU A 18 -14.180 -11.141 -12.774 1.00 42.04 H new ATOM 0 HD12 LEU A 18 -15.580 -11.710 -13.714 1.00 42.04 H new ATOM 0 HD13 LEU A 18 -14.220 -10.909 -14.538 1.00 42.04 H new ATOM 0 HD21 LEU A 18 -13.825 -8.731 -12.396 1.00 44.33 H new ATOM 0 HD22 LEU A 18 -13.851 -8.403 -14.145 1.00 44.33 H new ATOM 0 HD23 LEU A 18 -14.966 -7.537 -13.060 1.00 44.33 H new ATOM 256 N LYS A 19 -18.605 -11.045 -12.902 1.00 32.44 N ATOM 257 CA LYS A 19 -19.119 -12.376 -12.597 1.00 52.51 C ATOM 258 C LYS A 19 -20.642 -12.364 -12.513 1.00 71.32 C ATOM 259 O LYS A 19 -21.289 -13.399 -12.674 1.00 74.44 O ATOM 260 CB LYS A 19 -18.529 -12.883 -11.280 1.00 20.53 C ATOM 261 CG LYS A 19 -18.910 -14.318 -10.956 1.00 3.34 C ATOM 262 CD LYS A 19 -19.547 -14.428 -9.581 1.00 30.44 C ATOM 263 CE LYS A 19 -19.068 -15.669 -8.843 1.00 33.24 C ATOM 264 NZ LYS A 19 -19.965 -16.019 -7.706 1.00 5.21 N ATOM 0 H LYS A 19 -18.382 -10.481 -12.082 1.00 32.44 H new ATOM 0 HA LYS A 19 -18.822 -13.047 -13.403 1.00 52.51 H new ATOM 0 HB2 LYS A 19 -17.443 -12.805 -11.324 1.00 20.53 H new ATOM 0 HB3 LYS A 19 -18.862 -12.235 -10.469 1.00 20.53 H new ATOM 0 HG2 LYS A 19 -19.603 -14.691 -11.710 1.00 3.34 H new ATOM 0 HG3 LYS A 19 -18.023 -14.950 -10.999 1.00 3.34 H new ATOM 0 HD2 LYS A 19 -19.308 -13.540 -8.996 1.00 30.44 H new ATOM 0 HD3 LYS A 19 -20.632 -14.460 -9.683 1.00 30.44 H new ATOM 0 HE2 LYS A 19 -19.018 -16.508 -9.537 1.00 33.24 H new ATOM 0 HE3 LYS A 19 -18.057 -15.503 -8.470 1.00 33.24 H new ATOM 0 HZ1 LYS A 19 -19.605 -16.870 -7.229 1.00 5.21 H new ATOM 0 HZ2 LYS A 19 -19.993 -15.229 -7.030 1.00 5.21 H new ATOM 0 HZ3 LYS A 19 -20.924 -16.203 -8.064 1.00 5.21 H new ATOM 278 N ILE A 20 -21.208 -11.189 -12.262 1.00 4.53 N ATOM 279 CA ILE A 20 -22.654 -11.043 -12.160 1.00 34.55 C ATOM 280 C ILE A 20 -23.250 -10.535 -13.468 1.00 63.32 C ATOM 281 O ILE A 20 -24.390 -10.853 -13.808 1.00 2.42 O ATOM 282 CB ILE A 20 -23.045 -10.080 -11.023 1.00 23.31 C ATOM 283 CG1 ILE A 20 -24.510 -10.284 -10.633 1.00 31.43 C ATOM 284 CG2 ILE A 20 -22.798 -8.639 -11.442 1.00 53.21 C ATOM 285 CD1 ILE A 20 -24.772 -10.109 -9.153 1.00 45.32 C ATOM 0 H ILE A 20 -20.686 -10.323 -12.125 1.00 4.53 H new ATOM 0 HA ILE A 20 -23.055 -12.033 -11.941 1.00 34.55 H new ATOM 0 HB ILE A 20 -22.424 -10.297 -10.154 1.00 23.31 H new ATOM 0 HG12 ILE A 20 -25.127 -9.578 -11.189 1.00 31.43 H new ATOM 0 HG13 ILE A 20 -24.821 -11.285 -10.933 1.00 31.43 H new ATOM 0 HG21 ILE A 20 -23.079 -7.970 -10.628 1.00 53.21 H new ATOM 0 HG22 ILE A 20 -21.742 -8.504 -11.675 1.00 53.21 H new ATOM 0 HG23 ILE A 20 -23.396 -8.409 -12.324 1.00 53.21 H new ATOM 0 HD11 ILE A 20 -25.831 -10.268 -8.950 1.00 45.32 H new ATOM 0 HD12 ILE A 20 -24.182 -10.833 -8.591 1.00 45.32 H new ATOM 0 HD13 ILE A 20 -24.492 -9.100 -8.851 1.00 45.32 H new ATOM 297 N ARG A 21 -22.470 -9.746 -14.200 1.00 23.32 N ATOM 298 CA ARG A 21 -22.919 -9.195 -15.472 1.00 55.41 C ATOM 299 C ARG A 21 -22.437 -10.053 -16.638 1.00 5.41 C ATOM 300 O ARG A 21 -23.155 -10.248 -17.619 1.00 22.24 O ATOM 301 CB ARG A 21 -22.414 -7.760 -15.637 1.00 74.03 C ATOM 302 CG ARG A 21 -23.450 -6.813 -16.222 1.00 21.31 C ATOM 303 CD ARG A 21 -24.477 -6.399 -15.180 1.00 31.01 C ATOM 304 NE ARG A 21 -25.582 -5.648 -15.769 1.00 51.41 N ATOM 305 CZ ARG A 21 -26.410 -4.884 -15.065 1.00 3.13 C ATOM 306 NH1 ARG A 21 -26.258 -4.771 -13.752 1.00 44.34 N ATOM 307 NH2 ARG A 21 -27.392 -4.231 -15.673 1.00 3.11 N ATOM 0 H ARG A 21 -21.524 -9.474 -13.933 1.00 23.32 H new ATOM 0 HA ARG A 21 -24.009 -9.192 -15.473 1.00 55.41 H new ATOM 0 HB2 ARG A 21 -22.096 -7.382 -14.665 1.00 74.03 H new ATOM 0 HB3 ARG A 21 -21.534 -7.765 -16.281 1.00 74.03 H new ATOM 0 HG2 ARG A 21 -22.953 -5.927 -16.617 1.00 21.31 H new ATOM 0 HG3 ARG A 21 -23.954 -7.295 -17.060 1.00 21.31 H new ATOM 0 HD2 ARG A 21 -24.867 -7.287 -14.682 1.00 31.01 H new ATOM 0 HD3 ARG A 21 -23.993 -5.792 -14.415 1.00 31.01 H new ATOM 0 HE ARG A 21 -25.726 -5.714 -16.777 1.00 51.41 H new ATOM 0 HH11 ARG A 21 -25.504 -5.271 -13.281 1.00 44.34 H new ATOM 0 HH12 ARG A 21 -26.895 -4.184 -13.214 1.00 44.34 H new ATOM 0 HH21 ARG A 21 -27.512 -4.315 -16.682 1.00 3.11 H new ATOM 0 HH22 ARG A 21 -28.027 -3.645 -15.131 1.00 3.11 H new ATOM 321 N LYS A 22 -21.215 -10.562 -16.524 1.00 63.13 N ATOM 322 CA LYS A 22 -20.635 -11.400 -17.567 1.00 45.22 C ATOM 323 C LYS A 22 -20.583 -10.655 -18.897 1.00 62.04 C ATOM 324 O LYS A 22 -20.349 -11.254 -19.948 1.00 2.31 O ATOM 325 CB LYS A 22 -21.444 -12.689 -17.724 1.00 30.14 C ATOM 326 CG LYS A 22 -21.372 -13.603 -16.513 1.00 23.32 C ATOM 327 CD LYS A 22 -22.358 -14.754 -16.623 1.00 41.03 C ATOM 328 CE LYS A 22 -22.505 -15.491 -15.301 1.00 12.33 C ATOM 329 NZ LYS A 22 -22.849 -16.926 -15.501 1.00 5.15 N ATOM 0 H LYS A 22 -20.607 -10.409 -15.720 1.00 63.13 H new ATOM 0 HA LYS A 22 -19.617 -11.652 -17.271 1.00 45.22 H new ATOM 0 HB2 LYS A 22 -22.486 -12.433 -17.914 1.00 30.14 H new ATOM 0 HB3 LYS A 22 -21.084 -13.230 -18.599 1.00 30.14 H new ATOM 0 HG2 LYS A 22 -20.361 -13.997 -16.413 1.00 23.32 H new ATOM 0 HG3 LYS A 22 -21.581 -13.029 -15.610 1.00 23.32 H new ATOM 0 HD2 LYS A 22 -23.329 -14.373 -16.938 1.00 41.03 H new ATOM 0 HD3 LYS A 22 -22.023 -15.449 -17.393 1.00 41.03 H new ATOM 0 HE2 LYS A 22 -21.575 -15.416 -14.738 1.00 12.33 H new ATOM 0 HE3 LYS A 22 -23.280 -15.012 -14.702 1.00 12.33 H new ATOM 0 HZ1 LYS A 22 -22.940 -17.393 -14.576 1.00 5.15 H new ATOM 0 HZ2 LYS A 22 -23.750 -16.999 -16.016 1.00 5.15 H new ATOM 0 HZ3 LYS A 22 -22.098 -17.390 -16.050 1.00 5.15 H new ATOM 343 N THR A 23 -20.801 -9.345 -18.846 1.00 13.42 N ATOM 344 CA THR A 23 -20.779 -8.518 -20.046 1.00 72.31 C ATOM 345 C THR A 23 -19.602 -7.550 -20.026 1.00 21.24 C ATOM 346 O THR A 23 -19.752 -6.368 -20.334 1.00 1.22 O ATOM 347 CB THR A 23 -22.086 -7.717 -20.201 1.00 4.15 C ATOM 348 OG1 THR A 23 -22.682 -7.501 -18.917 1.00 13.31 O ATOM 349 CG2 THR A 23 -23.066 -8.449 -21.104 1.00 41.14 C ATOM 0 H THR A 23 -20.995 -8.833 -17.985 1.00 13.42 H new ATOM 0 HA THR A 23 -20.674 -9.195 -20.894 1.00 72.31 H new ATOM 0 HB THR A 23 -21.846 -6.756 -20.657 1.00 4.15 H new ATOM 0 HG1 THR A 23 -22.976 -8.358 -18.544 1.00 13.31 H new ATOM 0 HG21 THR A 23 -23.981 -7.864 -21.198 1.00 41.14 H new ATOM 0 HG22 THR A 23 -22.620 -8.586 -22.089 1.00 41.14 H new ATOM 0 HG23 THR A 23 -23.301 -9.422 -20.673 1.00 41.14 H new ATOM 357 N VAL A 24 -18.429 -8.059 -19.661 1.00 33.30 N ATOM 358 CA VAL A 24 -17.225 -7.239 -19.602 1.00 70.51 C ATOM 359 C VAL A 24 -17.526 -5.862 -19.022 1.00 63.10 C ATOM 360 O VAL A 24 -17.405 -4.847 -19.708 1.00 43.02 O ATOM 361 CB VAL A 24 -16.592 -7.070 -20.996 1.00 75.43 C ATOM 362 CG1 VAL A 24 -15.967 -8.377 -21.461 1.00 52.21 C ATOM 363 CG2 VAL A 24 -17.630 -6.581 -21.996 1.00 4.14 C ATOM 0 H VAL A 24 -18.287 -9.035 -19.402 1.00 33.30 H new ATOM 0 HA VAL A 24 -16.520 -7.758 -18.952 1.00 70.51 H new ATOM 0 HB VAL A 24 -15.803 -6.321 -20.929 1.00 75.43 H new ATOM 0 HG11 VAL A 24 -15.525 -8.238 -22.448 1.00 52.21 H new ATOM 0 HG12 VAL A 24 -15.193 -8.681 -20.756 1.00 52.21 H new ATOM 0 HG13 VAL A 24 -16.735 -9.149 -21.513 1.00 52.21 H new ATOM 0 HG21 VAL A 24 -17.166 -6.467 -22.976 1.00 4.14 H new ATOM 0 HG22 VAL A 24 -18.442 -7.305 -22.061 1.00 4.14 H new ATOM 0 HG23 VAL A 24 -18.027 -5.620 -21.668 1.00 4.14 H new ATOM 373 N LYS A 25 -17.918 -5.833 -17.753 1.00 30.51 N ATOM 374 CA LYS A 25 -18.235 -4.581 -17.078 1.00 1.34 C ATOM 375 C LYS A 25 -17.011 -3.673 -17.013 1.00 51.53 C ATOM 376 O LYS A 25 -17.128 -2.476 -16.750 1.00 11.22 O ATOM 377 CB LYS A 25 -18.754 -4.856 -15.664 1.00 65.34 C ATOM 378 CG LYS A 25 -19.455 -3.667 -15.031 1.00 62.01 C ATOM 379 CD LYS A 25 -20.795 -4.063 -14.434 1.00 4.02 C ATOM 380 CE LYS A 25 -21.952 -3.433 -15.194 1.00 22.20 C ATOM 381 NZ LYS A 25 -23.058 -3.028 -14.284 1.00 13.25 N ATOM 0 H LYS A 25 -18.024 -6.664 -17.171 1.00 30.51 H new ATOM 0 HA LYS A 25 -19.012 -4.075 -17.652 1.00 1.34 H new ATOM 0 HB2 LYS A 25 -19.445 -5.699 -15.697 1.00 65.34 H new ATOM 0 HB3 LYS A 25 -17.918 -5.154 -15.031 1.00 65.34 H new ATOM 0 HG2 LYS A 25 -18.821 -3.241 -14.253 1.00 62.01 H new ATOM 0 HG3 LYS A 25 -19.605 -2.890 -15.781 1.00 62.01 H new ATOM 0 HD2 LYS A 25 -20.895 -5.148 -14.451 1.00 4.02 H new ATOM 0 HD3 LYS A 25 -20.834 -3.755 -13.389 1.00 4.02 H new ATOM 0 HE2 LYS A 25 -21.595 -2.561 -15.742 1.00 22.20 H new ATOM 0 HE3 LYS A 25 -22.330 -4.140 -15.932 1.00 22.20 H new ATOM 0 HZ1 LYS A 25 -23.867 -2.697 -14.847 1.00 13.25 H new ATOM 0 HZ2 LYS A 25 -23.348 -3.843 -13.706 1.00 13.25 H new ATOM 0 HZ3 LYS A 25 -22.732 -2.261 -13.662 1.00 13.25 H new ATOM 395 N TRP A 26 -15.840 -4.249 -17.257 1.00 5.52 N ATOM 396 CA TRP A 26 -14.594 -3.490 -17.228 1.00 13.32 C ATOM 397 C TRP A 26 -14.567 -2.534 -16.040 1.00 40.44 C ATOM 398 O TRP A 26 -14.920 -1.361 -16.168 1.00 41.24 O ATOM 399 CB TRP A 26 -14.418 -2.709 -18.531 1.00 54.02 C ATOM 400 CG TRP A 26 -13.817 -3.525 -19.636 1.00 10.54 C ATOM 401 CD1 TRP A 26 -14.135 -4.809 -19.972 1.00 71.33 C ATOM 402 CD2 TRP A 26 -12.793 -3.111 -20.546 1.00 45.12 C ATOM 403 NE1 TRP A 26 -13.370 -5.219 -21.038 1.00 30.25 N ATOM 404 CE2 TRP A 26 -12.539 -4.195 -21.409 1.00 31.53 C ATOM 405 CE3 TRP A 26 -12.066 -1.930 -20.718 1.00 52.44 C ATOM 406 CZ2 TRP A 26 -11.590 -4.132 -22.425 1.00 42.32 C ATOM 407 CZ3 TRP A 26 -11.124 -1.868 -21.728 1.00 31.15 C ATOM 408 CH2 TRP A 26 -10.893 -2.963 -22.571 1.00 12.11 C ATOM 0 H TRP A 26 -15.726 -5.238 -17.477 1.00 5.52 H new ATOM 0 HA TRP A 26 -13.770 -4.196 -17.122 1.00 13.32 H new ATOM 0 HB2 TRP A 26 -15.388 -2.332 -18.854 1.00 54.02 H new ATOM 0 HB3 TRP A 26 -13.785 -1.842 -18.344 1.00 54.02 H new ATOM 0 HD1 TRP A 26 -14.878 -5.414 -19.474 1.00 71.33 H new ATOM 0 HE1 TRP A 26 -13.414 -6.137 -21.481 1.00 30.25 H new ATOM 0 HE3 TRP A 26 -12.237 -1.081 -20.073 1.00 52.44 H new ATOM 0 HZ2 TRP A 26 -11.410 -4.975 -23.075 1.00 42.32 H new ATOM 0 HZ3 TRP A 26 -10.557 -0.960 -21.870 1.00 31.15 H new ATOM 0 HH2 TRP A 26 -10.151 -2.883 -23.351 1.00 12.11 H new ATOM 419 N ILE A 27 -14.146 -3.041 -14.887 1.00 32.41 N ATOM 420 CA ILE A 27 -14.072 -2.231 -13.678 1.00 12.22 C ATOM 421 C ILE A 27 -12.629 -1.864 -13.349 1.00 61.13 C ATOM 422 O ILE A 27 -11.732 -2.704 -13.421 1.00 21.34 O ATOM 423 CB ILE A 27 -14.692 -2.961 -12.472 1.00 23.14 C ATOM 424 CG1 ILE A 27 -15.733 -3.978 -12.943 1.00 53.23 C ATOM 425 CG2 ILE A 27 -15.317 -1.961 -11.511 1.00 12.20 C ATOM 426 CD1 ILE A 27 -15.161 -5.354 -13.200 1.00 60.30 C ATOM 0 H ILE A 27 -13.851 -4.010 -14.764 1.00 32.41 H new ATOM 0 HA ILE A 27 -14.640 -1.321 -13.873 1.00 12.22 H new ATOM 0 HB ILE A 27 -13.902 -3.496 -11.945 1.00 23.14 H new ATOM 0 HG12 ILE A 27 -16.519 -4.055 -12.192 1.00 53.23 H new ATOM 0 HG13 ILE A 27 -16.200 -3.611 -13.857 1.00 53.23 H new ATOM 0 HG21 ILE A 27 -15.751 -2.493 -10.664 1.00 12.20 H new ATOM 0 HG22 ILE A 27 -14.551 -1.272 -11.154 1.00 12.20 H new ATOM 0 HG23 ILE A 27 -16.097 -1.400 -12.026 1.00 12.20 H new ATOM 0 HD11 ILE A 27 -15.956 -6.022 -13.531 1.00 60.30 H new ATOM 0 HD12 ILE A 27 -14.395 -5.291 -13.973 1.00 60.30 H new ATOM 0 HD13 ILE A 27 -14.719 -5.742 -12.282 1.00 60.30 H new ATOM 438 N VAL A 28 -12.412 -0.604 -12.987 1.00 50.31 N ATOM 439 CA VAL A 28 -11.078 -0.126 -12.644 1.00 50.51 C ATOM 440 C VAL A 28 -10.937 0.079 -11.140 1.00 33.31 C ATOM 441 O VAL A 28 -11.560 0.970 -10.563 1.00 34.15 O ATOM 442 CB VAL A 28 -10.754 1.197 -13.363 1.00 41.43 C ATOM 443 CG1 VAL A 28 -9.291 1.565 -13.171 1.00 45.20 C ATOM 444 CG2 VAL A 28 -11.097 1.098 -14.842 1.00 32.41 C ATOM 0 H VAL A 28 -13.143 0.105 -12.924 1.00 50.31 H new ATOM 0 HA VAL A 28 -10.374 -0.891 -12.971 1.00 50.51 H new ATOM 0 HB VAL A 28 -11.363 1.987 -12.924 1.00 41.43 H new ATOM 0 HG11 VAL A 28 -9.081 2.502 -13.686 1.00 45.20 H new ATOM 0 HG12 VAL A 28 -9.081 1.680 -12.108 1.00 45.20 H new ATOM 0 HG13 VAL A 28 -8.661 0.776 -13.582 1.00 45.20 H new ATOM 0 HG21 VAL A 28 -10.862 2.042 -15.334 1.00 32.41 H new ATOM 0 HG22 VAL A 28 -10.516 0.296 -15.297 1.00 32.41 H new ATOM 0 HG23 VAL A 28 -12.160 0.885 -14.956 1.00 32.41 H new ATOM 454 N PHE A 29 -10.114 -0.753 -10.510 1.00 1.40 N ATOM 455 CA PHE A 29 -9.891 -0.664 -9.072 1.00 30.04 C ATOM 456 C PHE A 29 -8.483 -0.160 -8.769 1.00 40.34 C ATOM 457 O PHE A 29 -7.504 -0.632 -9.348 1.00 30.24 O ATOM 458 CB PHE A 29 -10.108 -2.029 -8.415 1.00 63.24 C ATOM 459 CG PHE A 29 -9.268 -3.122 -9.013 1.00 4.51 C ATOM 460 CD1 PHE A 29 -9.696 -3.805 -10.139 1.00 61.52 C ATOM 461 CD2 PHE A 29 -8.049 -3.464 -8.449 1.00 34.14 C ATOM 462 CE1 PHE A 29 -8.925 -4.812 -10.690 1.00 51.54 C ATOM 463 CE2 PHE A 29 -7.274 -4.469 -8.996 1.00 30.13 C ATOM 464 CZ PHE A 29 -7.712 -5.143 -10.119 1.00 12.12 C ATOM 0 H PHE A 29 -9.591 -1.496 -10.973 1.00 1.40 H new ATOM 0 HA PHE A 29 -10.608 0.047 -8.663 1.00 30.04 H new ATOM 0 HB2 PHE A 29 -9.885 -1.951 -7.351 1.00 63.24 H new ATOM 0 HB3 PHE A 29 -11.160 -2.302 -8.501 1.00 63.24 H new ATOM 0 HD1 PHE A 29 -10.642 -3.548 -10.592 1.00 61.52 H new ATOM 0 HD2 PHE A 29 -7.701 -2.939 -7.572 1.00 34.14 H new ATOM 0 HE1 PHE A 29 -9.271 -5.339 -11.567 1.00 51.54 H new ATOM 0 HE2 PHE A 29 -6.327 -4.727 -8.546 1.00 30.13 H new ATOM 0 HZ PHE A 29 -7.107 -5.927 -10.550 1.00 12.12 H new ATOM 474 N LYS A 30 -8.389 0.804 -7.860 1.00 2.14 N ATOM 475 CA LYS A 30 -7.102 1.374 -7.478 1.00 60.04 C ATOM 476 C LYS A 30 -6.724 0.962 -6.059 1.00 44.13 C ATOM 477 O LYS A 30 -7.568 0.500 -5.291 1.00 61.24 O ATOM 478 CB LYS A 30 -7.146 2.900 -7.583 1.00 44.13 C ATOM 479 CG LYS A 30 -7.077 3.604 -6.239 1.00 44.44 C ATOM 480 CD LYS A 30 -7.407 5.082 -6.367 1.00 4.23 C ATOM 481 CE LYS A 30 -7.989 5.636 -5.076 1.00 13.43 C ATOM 482 NZ LYS A 30 -7.596 7.055 -4.854 1.00 1.42 N ATOM 0 H LYS A 30 -9.189 1.208 -7.373 1.00 2.14 H new ATOM 0 HA LYS A 30 -6.345 0.990 -8.162 1.00 60.04 H new ATOM 0 HB2 LYS A 30 -6.316 3.237 -8.203 1.00 44.13 H new ATOM 0 HB3 LYS A 30 -8.064 3.195 -8.091 1.00 44.13 H new ATOM 0 HG2 LYS A 30 -7.773 3.134 -5.544 1.00 44.44 H new ATOM 0 HG3 LYS A 30 -6.079 3.488 -5.817 1.00 44.44 H new ATOM 0 HD2 LYS A 30 -6.505 5.636 -6.628 1.00 4.23 H new ATOM 0 HD3 LYS A 30 -8.118 5.228 -7.180 1.00 4.23 H new ATOM 0 HE2 LYS A 30 -9.076 5.561 -5.106 1.00 13.43 H new ATOM 0 HE3 LYS A 30 -7.651 5.030 -4.236 1.00 13.43 H new ATOM 0 HZ1 LYS A 30 -8.013 7.395 -3.964 1.00 1.42 H new ATOM 0 HZ2 LYS A 30 -6.560 7.124 -4.800 1.00 1.42 H new ATOM 0 HZ3 LYS A 30 -7.941 7.638 -5.643 1.00 1.42 H new ATOM 496 N ILE A 31 -5.451 1.134 -5.718 1.00 11.13 N ATOM 497 CA ILE A 31 -4.963 0.782 -4.390 1.00 41.50 C ATOM 498 C ILE A 31 -4.328 1.986 -3.701 1.00 73.21 C ATOM 499 O ILE A 31 -3.249 2.435 -4.085 1.00 71.04 O ATOM 500 CB ILE A 31 -3.933 -0.361 -4.454 1.00 2.35 C ATOM 501 CG1 ILE A 31 -2.834 -0.031 -5.466 1.00 52.11 C ATOM 502 CG2 ILE A 31 -4.617 -1.671 -4.814 1.00 51.21 C ATOM 503 CD1 ILE A 31 -1.438 -0.107 -4.889 1.00 40.31 C ATOM 0 H ILE A 31 -4.740 1.515 -6.342 1.00 11.13 H new ATOM 0 HA ILE A 31 -5.827 0.450 -3.814 1.00 41.50 H new ATOM 0 HB ILE A 31 -3.474 -0.472 -3.472 1.00 2.35 H new ATOM 0 HG12 ILE A 31 -2.908 -0.719 -6.308 1.00 52.11 H new ATOM 0 HG13 ILE A 31 -3.002 0.972 -5.858 1.00 52.11 H new ATOM 0 HG21 ILE A 31 -3.876 -2.469 -4.855 1.00 51.21 H new ATOM 0 HG22 ILE A 31 -5.366 -1.910 -4.059 1.00 51.21 H new ATOM 0 HG23 ILE A 31 -5.100 -1.574 -5.786 1.00 51.21 H new ATOM 0 HD11 ILE A 31 -0.711 0.139 -5.663 1.00 40.31 H new ATOM 0 HD12 ILE A 31 -1.346 0.601 -4.066 1.00 40.31 H new ATOM 0 HD13 ILE A 31 -1.250 -1.116 -4.522 1.00 40.31 H new ATOM 515 N GLU A 32 -5.006 2.502 -2.680 1.00 63.42 N ATOM 516 CA GLU A 32 -4.507 3.653 -1.937 1.00 23.31 C ATOM 517 C GLU A 32 -3.432 3.232 -0.939 1.00 65.33 C ATOM 518 O GLU A 32 -2.932 2.108 -0.986 1.00 15.31 O ATOM 519 CB GLU A 32 -5.654 4.350 -1.203 1.00 41.20 C ATOM 520 CG GLU A 32 -5.696 5.852 -1.427 1.00 4.50 C ATOM 521 CD GLU A 32 -6.074 6.619 -0.174 1.00 65.22 C ATOM 522 OE1 GLU A 32 -5.618 6.226 0.921 1.00 55.04 O ATOM 523 OE2 GLU A 32 -6.824 7.610 -0.288 1.00 42.32 O ATOM 0 H GLU A 32 -5.901 2.141 -2.349 1.00 63.42 H new ATOM 0 HA GLU A 32 -4.064 4.349 -2.650 1.00 23.31 H new ATOM 0 HB2 GLU A 32 -6.599 3.916 -1.528 1.00 41.20 H new ATOM 0 HB3 GLU A 32 -5.564 4.153 -0.135 1.00 41.20 H new ATOM 0 HG2 GLU A 32 -4.720 6.191 -1.775 1.00 4.50 H new ATOM 0 HG3 GLU A 32 -6.413 6.078 -2.217 1.00 4.50 H new ATOM 530 N ASN A 33 -3.080 4.143 -0.038 1.00 23.22 N ATOM 531 CA ASN A 33 -2.063 3.867 0.971 1.00 40.32 C ATOM 532 C ASN A 33 -2.527 2.772 1.926 1.00 14.33 C ATOM 533 O ASN A 33 -3.159 3.049 2.947 1.00 41.13 O ATOM 534 CB ASN A 33 -1.735 5.139 1.756 1.00 55.25 C ATOM 535 CG ASN A 33 -0.353 5.676 1.436 1.00 34.34 C ATOM 536 OD1 ASN A 33 0.578 5.533 2.228 1.00 23.52 O ATOM 537 ND2 ASN A 33 -0.215 6.298 0.271 1.00 21.14 N ATOM 0 H ASN A 33 -3.483 5.078 0.014 1.00 23.22 H new ATOM 0 HA ASN A 33 -1.164 3.522 0.460 1.00 40.32 H new ATOM 0 HB2 ASN A 33 -2.479 5.903 1.532 1.00 55.25 H new ATOM 0 HB3 ASN A 33 -1.803 4.931 2.824 1.00 55.25 H new ATOM 0 HD21 ASN A 33 0.691 6.681 0.001 1.00 21.14 H new ATOM 0 HD22 ASN A 33 -1.015 6.393 -0.354 1.00 21.14 H new ATOM 544 N THR A 34 -2.210 1.526 1.589 1.00 43.10 N ATOM 545 CA THR A 34 -2.594 0.389 2.415 1.00 31.05 C ATOM 546 C THR A 34 -4.104 0.178 2.393 1.00 44.03 C ATOM 547 O THR A 34 -4.730 -0.016 3.435 1.00 41.52 O ATOM 548 CB THR A 34 -2.135 0.574 3.874 1.00 20.11 C ATOM 549 OG1 THR A 34 -1.087 1.548 3.938 1.00 30.31 O ATOM 550 CG2 THR A 34 -1.647 -0.743 4.459 1.00 41.11 C ATOM 0 H THR A 34 -1.688 1.279 0.749 1.00 43.10 H new ATOM 0 HA THR A 34 -2.101 -0.487 1.995 1.00 31.05 H new ATOM 0 HB THR A 34 -2.987 0.919 4.459 1.00 20.11 H new ATOM 0 HG1 THR A 34 -0.802 1.661 4.869 1.00 30.31 H new ATOM 0 HG21 THR A 34 -1.328 -0.587 5.490 1.00 41.11 H new ATOM 0 HG22 THR A 34 -2.456 -1.473 4.436 1.00 41.11 H new ATOM 0 HG23 THR A 34 -0.807 -1.113 3.871 1.00 41.11 H new ATOM 558 N LYS A 35 -4.684 0.216 1.198 1.00 64.12 N ATOM 559 CA LYS A 35 -6.121 0.027 1.038 1.00 65.10 C ATOM 560 C LYS A 35 -6.492 -0.098 -0.436 1.00 72.21 C ATOM 561 O LYS A 35 -5.717 0.279 -1.315 1.00 51.42 O ATOM 562 CB LYS A 35 -6.883 1.194 1.670 1.00 64.03 C ATOM 563 CG LYS A 35 -8.380 0.958 1.773 1.00 5.11 C ATOM 564 CD LYS A 35 -8.691 -0.323 2.529 1.00 53.13 C ATOM 565 CE LYS A 35 -8.075 -0.314 3.919 1.00 14.34 C ATOM 566 NZ LYS A 35 -8.491 -1.500 4.718 1.00 62.12 N ATOM 0 H LYS A 35 -4.180 0.376 0.326 1.00 64.12 H new ATOM 0 HA LYS A 35 -6.400 -0.897 1.544 1.00 65.10 H new ATOM 0 HB2 LYS A 35 -6.484 1.380 2.667 1.00 64.03 H new ATOM 0 HB3 LYS A 35 -6.705 2.094 1.082 1.00 64.03 H new ATOM 0 HG2 LYS A 35 -8.849 1.803 2.278 1.00 5.11 H new ATOM 0 HG3 LYS A 35 -8.811 0.905 0.773 1.00 5.11 H new ATOM 0 HD2 LYS A 35 -9.771 -0.446 2.609 1.00 53.13 H new ATOM 0 HD3 LYS A 35 -8.314 -1.178 1.968 1.00 53.13 H new ATOM 0 HE2 LYS A 35 -6.988 -0.296 3.835 1.00 14.34 H new ATOM 0 HE3 LYS A 35 -8.369 0.597 4.441 1.00 14.34 H new ATOM 0 HZ1 LYS A 35 -8.050 -1.457 5.659 1.00 62.12 H new ATOM 0 HZ2 LYS A 35 -9.526 -1.504 4.821 1.00 62.12 H new ATOM 0 HZ3 LYS A 35 -8.188 -2.369 4.233 1.00 62.12 H new ATOM 580 N ILE A 36 -7.682 -0.629 -0.699 1.00 3.33 N ATOM 581 CA ILE A 36 -8.156 -0.800 -2.066 1.00 60.42 C ATOM 582 C ILE A 36 -9.516 -0.140 -2.263 1.00 50.55 C ATOM 583 O ILE A 36 -10.352 -0.133 -1.360 1.00 1.53 O ATOM 584 CB ILE A 36 -8.262 -2.290 -2.442 1.00 73.13 C ATOM 585 CG1 ILE A 36 -6.883 -2.951 -2.392 1.00 52.12 C ATOM 586 CG2 ILE A 36 -8.880 -2.445 -3.824 1.00 42.31 C ATOM 587 CD1 ILE A 36 -6.934 -4.434 -2.097 1.00 50.34 C ATOM 0 H ILE A 36 -8.335 -0.948 0.017 1.00 3.33 H new ATOM 0 HA ILE A 36 -7.425 -0.320 -2.716 1.00 60.42 H new ATOM 0 HB ILE A 36 -8.908 -2.787 -1.718 1.00 73.13 H new ATOM 0 HG12 ILE A 36 -6.380 -2.796 -3.346 1.00 52.12 H new ATOM 0 HG13 ILE A 36 -6.280 -2.458 -1.630 1.00 52.12 H new ATOM 0 HG21 ILE A 36 -8.948 -3.503 -4.075 1.00 42.31 H new ATOM 0 HG22 ILE A 36 -9.878 -2.006 -3.828 1.00 42.31 H new ATOM 0 HG23 ILE A 36 -8.257 -1.937 -4.560 1.00 42.31 H new ATOM 0 HD11 ILE A 36 -5.921 -4.836 -2.077 1.00 50.34 H new ATOM 0 HD12 ILE A 36 -7.408 -4.596 -1.129 1.00 50.34 H new ATOM 0 HD13 ILE A 36 -7.510 -4.940 -2.872 1.00 50.34 H new ATOM 599 N VAL A 37 -9.732 0.414 -3.452 1.00 41.25 N ATOM 600 CA VAL A 37 -10.992 1.075 -3.770 1.00 41.45 C ATOM 601 C VAL A 37 -11.301 0.982 -5.260 1.00 71.54 C ATOM 602 O VAL A 37 -10.475 0.521 -6.049 1.00 55.10 O ATOM 603 CB VAL A 37 -10.968 2.558 -3.355 1.00 12.33 C ATOM 604 CG1 VAL A 37 -11.112 2.692 -1.846 1.00 51.54 C ATOM 605 CG2 VAL A 37 -9.690 3.226 -3.838 1.00 42.31 C ATOM 0 H VAL A 37 -9.050 0.418 -4.211 1.00 41.25 H new ATOM 0 HA VAL A 37 -11.770 0.560 -3.207 1.00 41.45 H new ATOM 0 HB VAL A 37 -11.813 3.062 -3.823 1.00 12.33 H new ATOM 0 HG11 VAL A 37 -11.093 3.747 -1.571 1.00 51.54 H new ATOM 0 HG12 VAL A 37 -12.058 2.252 -1.530 1.00 51.54 H new ATOM 0 HG13 VAL A 37 -10.289 2.174 -1.354 1.00 51.54 H new ATOM 0 HG21 VAL A 37 -9.690 4.273 -3.536 1.00 42.31 H new ATOM 0 HG22 VAL A 37 -8.828 2.722 -3.400 1.00 42.31 H new ATOM 0 HG23 VAL A 37 -9.634 3.162 -4.925 1.00 42.31 H new ATOM 615 N VAL A 38 -12.496 1.422 -5.640 1.00 75.20 N ATOM 616 CA VAL A 38 -12.915 1.389 -7.036 1.00 52.32 C ATOM 617 C VAL A 38 -12.952 2.792 -7.632 1.00 10.33 C ATOM 618 O VAL A 38 -13.292 3.758 -6.949 1.00 20.21 O ATOM 619 CB VAL A 38 -14.304 0.741 -7.191 1.00 2.32 C ATOM 620 CG1 VAL A 38 -15.248 1.235 -6.105 1.00 42.43 C ATOM 621 CG2 VAL A 38 -14.873 1.025 -8.573 1.00 23.40 C ATOM 0 H VAL A 38 -13.192 1.806 -5.000 1.00 75.20 H new ATOM 0 HA VAL A 38 -12.180 0.788 -7.572 1.00 52.32 H new ATOM 0 HB VAL A 38 -14.196 -0.338 -7.082 1.00 2.32 H new ATOM 0 HG11 VAL A 38 -16.224 0.767 -6.231 1.00 42.43 H new ATOM 0 HG12 VAL A 38 -14.844 0.976 -5.126 1.00 42.43 H new ATOM 0 HG13 VAL A 38 -15.353 2.317 -6.179 1.00 42.43 H new ATOM 0 HG21 VAL A 38 -15.854 0.560 -8.665 1.00 23.40 H new ATOM 0 HG22 VAL A 38 -14.967 2.102 -8.713 1.00 23.40 H new ATOM 0 HG23 VAL A 38 -14.206 0.617 -9.332 1.00 23.40 H new ATOM 631 N GLU A 39 -12.600 2.896 -8.909 1.00 51.45 N ATOM 632 CA GLU A 39 -12.593 4.182 -9.597 1.00 1.43 C ATOM 633 C GLU A 39 -13.646 4.215 -10.701 1.00 11.45 C ATOM 634 O GLU A 39 -14.476 5.123 -10.756 1.00 43.43 O ATOM 635 CB GLU A 39 -11.210 4.462 -10.188 1.00 44.00 C ATOM 636 CG GLU A 39 -10.248 5.111 -9.207 1.00 11.31 C ATOM 637 CD GLU A 39 -10.476 4.655 -7.779 1.00 4.13 C ATOM 638 OE1 GLU A 39 -10.253 3.460 -7.495 1.00 34.34 O ATOM 639 OE2 GLU A 39 -10.876 5.495 -6.945 1.00 62.31 O ATOM 0 H GLU A 39 -12.316 2.106 -9.488 1.00 51.45 H new ATOM 0 HA GLU A 39 -12.832 4.956 -8.868 1.00 1.43 H new ATOM 0 HB2 GLU A 39 -10.779 3.525 -10.541 1.00 44.00 H new ATOM 0 HB3 GLU A 39 -11.320 5.110 -11.058 1.00 44.00 H new ATOM 0 HG2 GLU A 39 -9.224 4.878 -9.500 1.00 11.31 H new ATOM 0 HG3 GLU A 39 -10.356 6.194 -9.260 1.00 11.31 H new ATOM 646 N LYS A 40 -13.606 3.219 -11.578 1.00 71.51 N ATOM 647 CA LYS A 40 -14.556 3.131 -12.681 1.00 20.22 C ATOM 648 C LYS A 40 -15.399 1.864 -12.574 1.00 24.14 C ATOM 649 O LYS A 40 -14.991 0.887 -11.944 1.00 51.41 O ATOM 650 CB LYS A 40 -13.817 3.152 -14.021 1.00 2.53 C ATOM 651 CG LYS A 40 -13.577 4.552 -14.561 1.00 35.23 C ATOM 652 CD LYS A 40 -12.608 5.329 -13.686 1.00 30.20 C ATOM 653 CE LYS A 40 -11.279 4.603 -13.546 1.00 63.11 C ATOM 654 NZ LYS A 40 -10.150 5.549 -13.327 1.00 12.50 N ATOM 0 H LYS A 40 -12.925 2.460 -11.547 1.00 71.51 H new ATOM 0 HA LYS A 40 -15.220 3.994 -12.625 1.00 20.22 H new ATOM 0 HB2 LYS A 40 -12.858 2.647 -13.906 1.00 2.53 H new ATOM 0 HB3 LYS A 40 -14.391 2.583 -14.752 1.00 2.53 H new ATOM 0 HG2 LYS A 40 -13.182 4.489 -15.575 1.00 35.23 H new ATOM 0 HG3 LYS A 40 -14.525 5.087 -14.620 1.00 35.23 H new ATOM 0 HD2 LYS A 40 -12.441 6.317 -14.115 1.00 30.20 H new ATOM 0 HD3 LYS A 40 -13.047 5.480 -12.700 1.00 30.20 H new ATOM 0 HE2 LYS A 40 -11.334 3.904 -12.712 1.00 63.11 H new ATOM 0 HE3 LYS A 40 -11.091 4.014 -14.444 1.00 63.11 H new ATOM 0 HZ1 LYS A 40 -9.482 5.482 -14.121 1.00 12.50 H new ATOM 0 HZ2 LYS A 40 -10.518 6.520 -13.264 1.00 12.50 H new ATOM 0 HZ3 LYS A 40 -9.661 5.306 -12.442 1.00 12.50 H new ATOM 668 N ASP A 41 -16.574 1.886 -13.193 1.00 3.43 N ATOM 669 CA ASP A 41 -17.473 0.738 -13.169 1.00 4.31 C ATOM 670 C ASP A 41 -18.770 1.048 -13.910 1.00 4.12 C ATOM 671 O ASP A 41 -19.303 2.152 -13.813 1.00 12.41 O ATOM 672 CB ASP A 41 -17.779 0.333 -11.726 1.00 51.42 C ATOM 673 CG ASP A 41 -19.165 0.762 -11.286 1.00 51.45 C ATOM 674 OD1 ASP A 41 -19.310 1.910 -10.816 1.00 1.33 O ATOM 675 OD2 ASP A 41 -20.105 -0.049 -11.414 1.00 33.31 O ATOM 0 H ASP A 41 -16.926 2.686 -13.718 1.00 3.43 H new ATOM 0 HA ASP A 41 -16.977 -0.091 -13.673 1.00 4.31 H new ATOM 0 HB2 ASP A 41 -17.689 -0.749 -11.628 1.00 51.42 H new ATOM 0 HB3 ASP A 41 -17.037 0.776 -11.062 1.00 51.42 H new ATOM 680 N GLY A 42 -19.271 0.065 -14.651 1.00 51.05 N ATOM 681 CA GLY A 42 -20.501 0.253 -15.399 1.00 44.02 C ATOM 682 C GLY A 42 -20.332 -0.042 -16.876 1.00 43.34 C ATOM 683 O GLY A 42 -21.044 0.513 -17.714 1.00 31.44 O ATOM 0 H GLY A 42 -18.848 -0.858 -14.747 1.00 51.05 H new ATOM 0 HA2 GLY A 42 -21.275 -0.395 -14.988 1.00 44.02 H new ATOM 0 HA3 GLY A 42 -20.846 1.280 -15.274 1.00 44.02 H new ATOM 687 N LYS A 43 -19.385 -0.916 -17.199 1.00 63.21 N ATOM 688 CA LYS A 43 -19.123 -1.284 -18.585 1.00 63.24 C ATOM 689 C LYS A 43 -18.635 -0.080 -19.385 1.00 61.41 C ATOM 690 O LYS A 43 -18.719 1.058 -18.926 1.00 34.33 O ATOM 691 CB LYS A 43 -20.386 -1.860 -19.229 1.00 52.43 C ATOM 692 CG LYS A 43 -20.135 -3.116 -20.045 1.00 41.24 C ATOM 693 CD LYS A 43 -21.397 -3.950 -20.189 1.00 11.45 C ATOM 694 CE LYS A 43 -21.788 -4.599 -18.870 1.00 72.51 C ATOM 695 NZ LYS A 43 -23.265 -4.634 -18.685 1.00 54.14 N ATOM 0 H LYS A 43 -18.786 -1.383 -16.519 1.00 63.21 H new ATOM 0 HA LYS A 43 -18.341 -2.043 -18.591 1.00 63.24 H new ATOM 0 HB2 LYS A 43 -21.112 -2.084 -18.448 1.00 52.43 H new ATOM 0 HB3 LYS A 43 -20.833 -1.102 -19.872 1.00 52.43 H new ATOM 0 HG2 LYS A 43 -19.765 -2.841 -21.033 1.00 41.24 H new ATOM 0 HG3 LYS A 43 -19.357 -3.712 -19.568 1.00 41.24 H new ATOM 0 HD2 LYS A 43 -22.213 -3.319 -20.542 1.00 11.45 H new ATOM 0 HD3 LYS A 43 -21.241 -4.721 -20.943 1.00 11.45 H new ATOM 0 HE2 LYS A 43 -21.393 -5.614 -18.834 1.00 72.51 H new ATOM 0 HE3 LYS A 43 -21.332 -4.050 -18.046 1.00 72.51 H new ATOM 0 HZ1 LYS A 43 -23.510 -4.209 -17.768 1.00 54.14 H new ATOM 0 HZ2 LYS A 43 -23.723 -4.097 -19.449 1.00 54.14 H new ATOM 0 HZ3 LYS A 43 -23.595 -5.620 -18.709 1.00 54.14 H new ATOM 709 N GLY A 44 -18.125 -0.340 -20.586 1.00 13.15 N ATOM 710 CA GLY A 44 -17.633 0.733 -21.430 1.00 70.31 C ATOM 711 C GLY A 44 -16.545 0.271 -22.379 1.00 30.40 C ATOM 712 O GLY A 44 -16.344 0.863 -23.438 1.00 62.54 O ATOM 0 H GLY A 44 -18.044 -1.274 -20.989 1.00 13.15 H new ATOM 0 HA2 GLY A 44 -18.461 1.147 -22.005 1.00 70.31 H new ATOM 0 HA3 GLY A 44 -17.247 1.537 -20.803 1.00 70.31 H new ATOM 716 N ASN A 45 -15.840 -0.790 -21.997 1.00 51.43 N ATOM 717 CA ASN A 45 -14.765 -1.329 -22.821 1.00 63.44 C ATOM 718 C ASN A 45 -13.622 -0.327 -22.950 1.00 1.34 C ATOM 719 O ASN A 45 -13.528 0.625 -22.176 1.00 14.43 O ATOM 720 CB ASN A 45 -15.293 -1.697 -24.209 1.00 72.53 C ATOM 721 CG ASN A 45 -16.623 -2.424 -24.148 1.00 11.44 C ATOM 722 OD1 ASN A 45 -17.659 -1.822 -23.862 1.00 63.21 O ATOM 723 ND2 ASN A 45 -16.600 -3.724 -24.416 1.00 30.04 N ATOM 0 H ASN A 45 -15.994 -1.292 -21.123 1.00 51.43 H new ATOM 0 HA ASN A 45 -14.384 -2.227 -22.334 1.00 63.44 H new ATOM 0 HB2 ASN A 45 -15.404 -0.791 -24.804 1.00 72.53 H new ATOM 0 HB3 ASN A 45 -14.562 -2.325 -24.718 1.00 72.53 H new ATOM 0 HD21 ASN A 45 -17.464 -4.265 -24.390 1.00 30.04 H new ATOM 0 HD22 ASN A 45 -15.718 -4.181 -24.648 1.00 30.04 H new ATOM 730 N ALA A 46 -12.755 -0.548 -23.933 1.00 14.04 N ATOM 731 CA ALA A 46 -11.621 0.337 -24.164 1.00 44.03 C ATOM 732 C ALA A 46 -12.060 1.797 -24.196 1.00 74.20 C ATOM 733 O ALA A 46 -11.303 2.691 -23.818 1.00 55.45 O ATOM 734 CB ALA A 46 -10.919 -0.033 -25.463 1.00 20.24 C ATOM 0 H ALA A 46 -12.817 -1.333 -24.582 1.00 14.04 H new ATOM 0 HA ALA A 46 -10.922 0.213 -23.337 1.00 44.03 H new ATOM 0 HB1 ALA A 46 -10.074 0.636 -25.623 1.00 20.24 H new ATOM 0 HB2 ALA A 46 -10.562 -1.061 -25.403 1.00 20.24 H new ATOM 0 HB3 ALA A 46 -11.618 0.060 -26.294 1.00 20.24 H new ATOM 740 N ASP A 47 -13.287 2.030 -24.649 1.00 51.41 N ATOM 741 CA ASP A 47 -13.828 3.382 -24.730 1.00 2.41 C ATOM 742 C ASP A 47 -13.726 4.090 -23.382 1.00 73.40 C ATOM 743 O ASP A 47 -13.467 5.291 -23.319 1.00 64.32 O ATOM 744 CB ASP A 47 -15.285 3.345 -25.192 1.00 34.13 C ATOM 745 CG ASP A 47 -15.623 4.481 -26.137 1.00 44.11 C ATOM 746 OD1 ASP A 47 -15.062 5.583 -25.963 1.00 43.05 O ATOM 747 OD2 ASP A 47 -16.448 4.269 -27.050 1.00 71.41 O ATOM 0 H ASP A 47 -13.926 1.300 -24.966 1.00 51.41 H new ATOM 0 HA ASP A 47 -13.239 3.939 -25.458 1.00 2.41 H new ATOM 0 HB2 ASP A 47 -15.482 2.394 -25.687 1.00 34.13 H new ATOM 0 HB3 ASP A 47 -15.940 3.393 -24.322 1.00 34.13 H new ATOM 752 N GLU A 48 -13.934 3.336 -22.307 1.00 30.12 N ATOM 753 CA GLU A 48 -13.868 3.892 -20.960 1.00 44.25 C ATOM 754 C GLU A 48 -12.428 3.922 -20.454 1.00 73.53 C ATOM 755 O GLU A 48 -11.913 4.973 -20.075 1.00 40.54 O ATOM 756 CB GLU A 48 -14.740 3.076 -20.004 1.00 4.21 C ATOM 757 CG GLU A 48 -16.142 3.635 -19.833 1.00 32.35 C ATOM 758 CD GLU A 48 -16.154 4.976 -19.125 1.00 64.10 C ATOM 759 OE1 GLU A 48 -16.013 4.994 -17.884 1.00 51.25 O ATOM 760 OE2 GLU A 48 -16.303 6.008 -19.813 1.00 60.50 O ATOM 0 H GLU A 48 -14.149 2.340 -22.342 1.00 30.12 H new ATOM 0 HA GLU A 48 -14.243 4.915 -20.998 1.00 44.25 H new ATOM 0 HB2 GLU A 48 -14.808 2.052 -20.372 1.00 4.21 H new ATOM 0 HB3 GLU A 48 -14.254 3.033 -19.029 1.00 4.21 H new ATOM 0 HG2 GLU A 48 -16.608 3.741 -20.812 1.00 32.35 H new ATOM 0 HG3 GLU A 48 -16.746 2.925 -19.268 1.00 32.35 H new ATOM 767 N PHE A 49 -11.785 2.759 -20.451 1.00 22.23 N ATOM 768 CA PHE A 49 -10.406 2.650 -19.990 1.00 24.31 C ATOM 769 C PHE A 49 -9.526 3.707 -20.651 1.00 60.33 C ATOM 770 O PHE A 49 -8.784 4.422 -19.978 1.00 14.40 O ATOM 771 CB PHE A 49 -9.855 1.253 -20.287 1.00 12.31 C ATOM 772 CG PHE A 49 -10.158 0.249 -19.212 1.00 62.42 C ATOM 773 CD1 PHE A 49 -11.284 0.384 -18.416 1.00 61.33 C ATOM 774 CD2 PHE A 49 -9.316 -0.831 -18.998 1.00 1.35 C ATOM 775 CE1 PHE A 49 -11.566 -0.539 -17.427 1.00 25.33 C ATOM 776 CE2 PHE A 49 -9.593 -1.757 -18.010 1.00 4.02 C ATOM 777 CZ PHE A 49 -10.718 -1.610 -17.223 1.00 31.44 C ATOM 0 H PHE A 49 -12.197 1.879 -20.762 1.00 22.23 H new ATOM 0 HA PHE A 49 -10.396 2.816 -18.913 1.00 24.31 H new ATOM 0 HB2 PHE A 49 -10.271 0.900 -21.231 1.00 12.31 H new ATOM 0 HB3 PHE A 49 -8.775 1.317 -20.419 1.00 12.31 H new ATOM 0 HD1 PHE A 49 -11.949 1.221 -18.570 1.00 61.33 H new ATOM 0 HD2 PHE A 49 -8.434 -0.950 -19.610 1.00 1.35 H new ATOM 0 HE1 PHE A 49 -12.448 -0.423 -16.815 1.00 25.33 H new ATOM 0 HE2 PHE A 49 -8.930 -2.595 -17.854 1.00 4.02 H new ATOM 0 HZ PHE A 49 -10.935 -2.331 -16.449 1.00 31.44 H new ATOM 787 N ARG A 50 -9.614 3.798 -21.974 1.00 72.33 N ATOM 788 CA ARG A 50 -8.826 4.765 -22.728 1.00 3.22 C ATOM 789 C ARG A 50 -8.993 6.169 -22.153 1.00 23.45 C ATOM 790 O ARG A 50 -8.095 7.004 -22.256 1.00 32.34 O ATOM 791 CB ARG A 50 -9.238 4.754 -24.201 1.00 65.10 C ATOM 792 CG ARG A 50 -10.555 5.462 -24.470 1.00 51.15 C ATOM 793 CD ARG A 50 -10.336 6.912 -24.872 1.00 52.32 C ATOM 794 NE ARG A 50 -11.493 7.467 -25.570 1.00 44.53 N ATOM 795 CZ ARG A 50 -11.479 8.636 -26.202 1.00 4.24 C ATOM 796 NH1 ARG A 50 -10.374 9.369 -26.223 1.00 23.23 N ATOM 797 NH2 ARG A 50 -12.571 9.074 -26.814 1.00 72.11 N ATOM 0 H ARG A 50 -10.224 3.213 -22.546 1.00 72.33 H new ATOM 0 HA ARG A 50 -7.777 4.481 -22.649 1.00 3.22 H new ATOM 0 HB2 ARG A 50 -8.454 5.227 -24.792 1.00 65.10 H new ATOM 0 HB3 ARG A 50 -9.315 3.721 -24.540 1.00 65.10 H new ATOM 0 HG2 ARG A 50 -11.094 4.941 -25.261 1.00 51.15 H new ATOM 0 HG3 ARG A 50 -11.180 5.421 -23.578 1.00 51.15 H new ATOM 0 HD2 ARG A 50 -10.129 7.507 -23.983 1.00 52.32 H new ATOM 0 HD3 ARG A 50 -9.458 6.982 -25.514 1.00 52.32 H new ATOM 0 HE ARG A 50 -12.359 6.928 -25.572 1.00 44.53 H new ATOM 0 HH11 ARG A 50 -9.532 9.036 -25.753 1.00 23.23 H new ATOM 0 HH12 ARG A 50 -10.366 10.266 -26.709 1.00 23.23 H new ATOM 0 HH21 ARG A 50 -13.423 8.513 -26.800 1.00 72.11 H new ATOM 0 HH22 ARG A 50 -12.559 9.971 -27.299 1.00 72.11 H new ATOM 811 N GLY A 51 -10.149 6.421 -21.547 1.00 31.34 N ATOM 812 CA GLY A 51 -10.413 7.724 -20.965 1.00 31.43 C ATOM 813 C GLY A 51 -10.527 7.672 -19.454 1.00 62.21 C ATOM 814 O GLY A 51 -10.962 8.635 -18.824 1.00 42.33 O ATOM 0 H GLY A 51 -10.907 5.746 -21.449 1.00 31.34 H new ATOM 0 HA2 GLY A 51 -9.614 8.411 -21.243 1.00 31.43 H new ATOM 0 HA3 GLY A 51 -11.337 8.125 -21.382 1.00 31.43 H new ATOM 818 N ALA A 52 -10.136 6.543 -18.871 1.00 53.03 N ATOM 819 CA ALA A 52 -10.196 6.369 -17.425 1.00 52.43 C ATOM 820 C ALA A 52 -8.830 5.994 -16.860 1.00 55.03 C ATOM 821 O ALA A 52 -8.644 5.939 -15.644 1.00 32.30 O ATOM 822 CB ALA A 52 -11.228 5.312 -17.063 1.00 33.20 C ATOM 0 H ALA A 52 -9.774 5.735 -19.378 1.00 53.03 H new ATOM 0 HA ALA A 52 -10.495 7.319 -16.982 1.00 52.43 H new ATOM 0 HB1 ALA A 52 -11.262 5.193 -15.980 1.00 33.20 H new ATOM 0 HB2 ALA A 52 -12.208 5.622 -17.425 1.00 33.20 H new ATOM 0 HB3 ALA A 52 -10.954 4.363 -17.524 1.00 33.20 H new ATOM 828 N LEU A 53 -7.878 5.736 -17.750 1.00 12.21 N ATOM 829 CA LEU A 53 -6.528 5.365 -17.340 1.00 33.13 C ATOM 830 C LEU A 53 -5.522 6.437 -17.746 1.00 23.42 C ATOM 831 O LEU A 53 -4.800 6.302 -18.734 1.00 41.50 O ATOM 832 CB LEU A 53 -6.138 4.021 -17.958 1.00 45.51 C ATOM 833 CG LEU A 53 -6.672 2.776 -17.250 1.00 60.12 C ATOM 834 CD1 LEU A 53 -7.338 1.840 -18.247 1.00 20.02 C ATOM 835 CD2 LEU A 53 -5.551 2.060 -16.511 1.00 2.42 C ATOM 0 H LEU A 53 -8.016 5.777 -18.760 1.00 12.21 H new ATOM 0 HA LEU A 53 -6.516 5.275 -16.254 1.00 33.13 H new ATOM 0 HB2 LEU A 53 -6.486 4.004 -18.991 1.00 45.51 H new ATOM 0 HB3 LEU A 53 -5.050 3.959 -17.987 1.00 45.51 H new ATOM 0 HG LEU A 53 -7.419 3.089 -16.520 1.00 60.12 H new ATOM 0 HD11 LEU A 53 -7.712 0.959 -17.725 1.00 20.02 H new ATOM 0 HD12 LEU A 53 -8.168 2.355 -18.731 1.00 20.02 H new ATOM 0 HD13 LEU A 53 -6.612 1.534 -19.000 1.00 20.02 H new ATOM 0 HD21 LEU A 53 -5.950 1.176 -16.013 1.00 2.42 H new ATOM 0 HD22 LEU A 53 -4.781 1.760 -17.221 1.00 2.42 H new ATOM 0 HD23 LEU A 53 -5.118 2.731 -15.769 1.00 2.42 H new ATOM 847 N PRO A 54 -5.469 7.526 -16.965 1.00 34.11 N ATOM 848 CA PRO A 54 -4.553 8.641 -17.222 1.00 22.33 C ATOM 849 C PRO A 54 -3.097 8.266 -16.964 1.00 34.20 C ATOM 850 O PRO A 54 -2.810 7.337 -16.209 1.00 52.23 O ATOM 851 CB PRO A 54 -5.012 9.713 -16.231 1.00 13.21 C ATOM 852 CG PRO A 54 -5.666 8.955 -15.128 1.00 25.44 C ATOM 853 CD PRO A 54 -6.301 7.753 -15.771 1.00 25.23 C ATOM 0 HA PRO A 54 -4.584 8.962 -18.263 1.00 22.33 H new ATOM 0 HB2 PRO A 54 -4.170 10.299 -15.863 1.00 13.21 H new ATOM 0 HB3 PRO A 54 -5.707 10.412 -16.697 1.00 13.21 H new ATOM 0 HG2 PRO A 54 -4.937 8.655 -14.375 1.00 25.44 H new ATOM 0 HG3 PRO A 54 -6.413 9.568 -14.623 1.00 25.44 H new ATOM 0 HD2 PRO A 54 -6.293 6.890 -15.105 1.00 25.23 H new ATOM 0 HD3 PRO A 54 -7.341 7.941 -16.036 1.00 25.23 H new ATOM 861 N ALA A 55 -2.183 8.994 -17.596 1.00 3.35 N ATOM 862 CA ALA A 55 -0.757 8.739 -17.432 1.00 41.41 C ATOM 863 C ALA A 55 -0.228 9.380 -16.154 1.00 3.15 C ATOM 864 O ALA A 55 0.959 9.281 -15.844 1.00 13.12 O ATOM 865 CB ALA A 55 0.013 9.253 -18.640 1.00 31.11 C ATOM 0 H ALA A 55 -2.404 9.765 -18.226 1.00 3.35 H new ATOM 0 HA ALA A 55 -0.612 7.661 -17.354 1.00 41.41 H new ATOM 0 HB1 ALA A 55 1.076 9.056 -18.504 1.00 31.11 H new ATOM 0 HB2 ALA A 55 -0.338 8.745 -19.538 1.00 31.11 H new ATOM 0 HB3 ALA A 55 -0.147 10.326 -18.744 1.00 31.11 H new ATOM 871 N ASN A 56 -1.116 10.038 -15.415 1.00 62.12 N ATOM 872 CA ASN A 56 -0.737 10.696 -14.170 1.00 50.33 C ATOM 873 C ASN A 56 -0.567 9.678 -13.047 1.00 2.55 C ATOM 874 O ASN A 56 0.212 9.890 -12.116 1.00 73.45 O ATOM 875 CB ASN A 56 -1.790 11.735 -13.778 1.00 5.04 C ATOM 876 CG ASN A 56 -1.451 12.439 -12.478 1.00 22.54 C ATOM 877 OD1 ASN A 56 -2.187 12.340 -11.496 1.00 3.24 O ATOM 878 ND2 ASN A 56 -0.332 13.154 -12.466 1.00 62.42 N ATOM 0 H ASN A 56 -2.103 10.129 -15.657 1.00 62.12 H new ATOM 0 HA ASN A 56 0.218 11.198 -14.328 1.00 50.33 H new ATOM 0 HB2 ASN A 56 -1.882 12.473 -14.575 1.00 5.04 H new ATOM 0 HB3 ASN A 56 -2.760 11.247 -13.682 1.00 5.04 H new ATOM 0 HD21 ASN A 56 -0.052 13.649 -11.619 1.00 62.42 H new ATOM 0 HD22 ASN A 56 0.248 13.208 -13.303 1.00 62.42 H new ATOM 885 N ASP A 57 -1.300 8.574 -13.140 1.00 3.51 N ATOM 886 CA ASP A 57 -1.229 7.522 -12.133 1.00 12.45 C ATOM 887 C ASP A 57 -1.452 6.151 -12.762 1.00 50.04 C ATOM 888 O ASP A 57 -1.617 6.034 -13.977 1.00 44.55 O ATOM 889 CB ASP A 57 -2.266 7.768 -11.035 1.00 24.32 C ATOM 890 CG ASP A 57 -1.631 8.183 -9.722 1.00 31.11 C ATOM 891 OD1 ASP A 57 -1.119 7.298 -9.005 1.00 12.21 O ATOM 892 OD2 ASP A 57 -1.647 9.393 -9.411 1.00 73.41 O ATOM 0 H ASP A 57 -1.950 8.384 -13.903 1.00 3.51 H new ATOM 0 HA ASP A 57 -0.232 7.541 -11.692 1.00 12.45 H new ATOM 0 HB2 ASP A 57 -2.959 8.543 -11.361 1.00 24.32 H new ATOM 0 HB3 ASP A 57 -2.851 6.861 -10.882 1.00 24.32 H new ATOM 897 N CYS A 58 -1.455 5.117 -11.929 1.00 70.52 N ATOM 898 CA CYS A 58 -1.656 3.752 -12.405 1.00 3.32 C ATOM 899 C CYS A 58 -2.962 3.176 -11.868 1.00 24.24 C ATOM 900 O CYS A 58 -3.486 3.639 -10.855 1.00 11.31 O ATOM 901 CB CYS A 58 -0.482 2.866 -11.985 1.00 71.03 C ATOM 902 SG CYS A 58 -0.044 1.598 -13.198 1.00 34.04 S ATOM 0 H CYS A 58 -1.321 5.197 -10.921 1.00 70.52 H new ATOM 0 HA CYS A 58 -1.712 3.777 -13.493 1.00 3.32 H new ATOM 0 HB2 CYS A 58 0.389 3.496 -11.804 1.00 71.03 H new ATOM 0 HB3 CYS A 58 -0.727 2.381 -11.040 1.00 71.03 H new ATOM 0 HG CYS A 58 0.960 0.902 -12.754 1.00 34.04 H new ATOM 908 N ARG A 59 -3.482 2.164 -12.554 1.00 20.52 N ATOM 909 CA ARG A 59 -4.728 1.526 -12.147 1.00 73.32 C ATOM 910 C ARG A 59 -4.880 0.158 -12.807 1.00 42.34 C ATOM 911 O ARG A 59 -4.211 -0.143 -13.796 1.00 51.24 O ATOM 912 CB ARG A 59 -5.921 2.413 -12.508 1.00 33.14 C ATOM 913 CG ARG A 59 -6.529 3.131 -11.314 1.00 3.23 C ATOM 914 CD ARG A 59 -7.203 4.430 -11.729 1.00 25.34 C ATOM 915 NE ARG A 59 -6.311 5.578 -11.589 1.00 30.03 N ATOM 916 CZ ARG A 59 -6.078 6.191 -10.434 1.00 13.25 C ATOM 917 NH1 ARG A 59 -6.668 5.768 -9.324 1.00 2.01 N ATOM 918 NH2 ARG A 59 -5.254 7.230 -10.387 1.00 22.23 N ATOM 0 H ARG A 59 -3.060 1.768 -13.394 1.00 20.52 H new ATOM 0 HA ARG A 59 -4.700 1.388 -11.066 1.00 73.32 H new ATOM 0 HB2 ARG A 59 -5.604 3.153 -13.243 1.00 33.14 H new ATOM 0 HB3 ARG A 59 -6.688 1.801 -12.982 1.00 33.14 H new ATOM 0 HG2 ARG A 59 -7.257 2.481 -10.829 1.00 3.23 H new ATOM 0 HG3 ARG A 59 -5.751 3.342 -10.580 1.00 3.23 H new ATOM 0 HD2 ARG A 59 -7.534 4.352 -12.765 1.00 25.34 H new ATOM 0 HD3 ARG A 59 -8.094 4.587 -11.121 1.00 25.34 H new ATOM 0 HE ARG A 59 -5.841 5.928 -12.424 1.00 30.03 H new ATOM 0 HH11 ARG A 59 -7.302 4.970 -9.356 1.00 2.01 H new ATOM 0 HH12 ARG A 59 -6.487 6.241 -8.438 1.00 2.01 H new ATOM 0 HH21 ARG A 59 -4.799 7.559 -11.238 1.00 22.23 H new ATOM 0 HH22 ARG A 59 -5.076 7.700 -9.499 1.00 22.23 H new ATOM 932 N PHE A 60 -5.763 -0.666 -12.253 1.00 42.13 N ATOM 933 CA PHE A 60 -6.001 -2.002 -12.787 1.00 52.11 C ATOM 934 C PHE A 60 -7.374 -2.087 -13.448 1.00 41.50 C ATOM 935 O PHE A 60 -8.159 -1.141 -13.396 1.00 52.05 O ATOM 936 CB PHE A 60 -5.894 -3.046 -11.673 1.00 44.35 C ATOM 937 CG PHE A 60 -4.549 -3.073 -11.005 1.00 1.41 C ATOM 938 CD1 PHE A 60 -3.465 -3.674 -11.624 1.00 3.41 C ATOM 939 CD2 PHE A 60 -4.369 -2.496 -9.758 1.00 21.42 C ATOM 940 CE1 PHE A 60 -2.227 -3.700 -11.010 1.00 65.34 C ATOM 941 CE2 PHE A 60 -3.133 -2.520 -9.140 1.00 2.35 C ATOM 942 CZ PHE A 60 -2.060 -3.122 -9.767 1.00 51.43 C ATOM 0 H PHE A 60 -6.325 -0.432 -11.435 1.00 42.13 H new ATOM 0 HA PHE A 60 -5.241 -2.205 -13.541 1.00 52.11 H new ATOM 0 HB2 PHE A 60 -6.659 -2.846 -10.923 1.00 44.35 H new ATOM 0 HB3 PHE A 60 -6.105 -4.032 -12.088 1.00 44.35 H new ATOM 0 HD1 PHE A 60 -3.589 -4.127 -12.597 1.00 3.41 H new ATOM 0 HD2 PHE A 60 -5.204 -2.022 -9.263 1.00 21.42 H new ATOM 0 HE1 PHE A 60 -1.390 -4.172 -11.502 1.00 65.34 H new ATOM 0 HE2 PHE A 60 -3.006 -2.068 -8.167 1.00 2.35 H new ATOM 0 HZ PHE A 60 -1.093 -3.141 -9.287 1.00 51.43 H new ATOM 952 N GLY A 61 -7.655 -3.228 -14.070 1.00 54.51 N ATOM 953 CA GLY A 61 -8.933 -3.415 -14.733 1.00 65.32 C ATOM 954 C GLY A 61 -9.253 -4.878 -14.971 1.00 42.30 C ATOM 955 O GLY A 61 -8.559 -5.558 -15.728 1.00 13.34 O ATOM 0 H GLY A 61 -7.022 -4.025 -14.127 1.00 54.51 H new ATOM 0 HA2 GLY A 61 -9.722 -2.967 -14.128 1.00 65.32 H new ATOM 0 HA3 GLY A 61 -8.925 -2.888 -15.687 1.00 65.32 H new ATOM 959 N VAL A 62 -10.306 -5.364 -14.322 1.00 61.52 N ATOM 960 CA VAL A 62 -10.716 -6.756 -14.466 1.00 75.03 C ATOM 961 C VAL A 62 -11.972 -6.873 -15.323 1.00 42.35 C ATOM 962 O VAL A 62 -12.904 -6.080 -15.189 1.00 11.23 O ATOM 963 CB VAL A 62 -10.981 -7.408 -13.096 1.00 54.21 C ATOM 964 CG1 VAL A 62 -9.670 -7.741 -12.401 1.00 13.35 C ATOM 965 CG2 VAL A 62 -11.838 -6.497 -12.230 1.00 3.43 C ATOM 0 H VAL A 62 -10.890 -4.815 -13.692 1.00 61.52 H new ATOM 0 HA VAL A 62 -9.895 -7.279 -14.956 1.00 75.03 H new ATOM 0 HB VAL A 62 -11.526 -8.338 -13.254 1.00 54.21 H new ATOM 0 HG11 VAL A 62 -9.877 -8.201 -11.435 1.00 13.35 H new ATOM 0 HG12 VAL A 62 -9.097 -8.434 -13.017 1.00 13.35 H new ATOM 0 HG13 VAL A 62 -9.095 -6.827 -12.252 1.00 13.35 H new ATOM 0 HG21 VAL A 62 -12.016 -6.973 -11.266 1.00 3.43 H new ATOM 0 HG22 VAL A 62 -11.322 -5.549 -12.077 1.00 3.43 H new ATOM 0 HG23 VAL A 62 -12.791 -6.315 -12.726 1.00 3.43 H new ATOM 975 N TYR A 63 -11.989 -7.866 -16.205 1.00 32.32 N ATOM 976 CA TYR A 63 -13.130 -8.086 -17.086 1.00 64.23 C ATOM 977 C TYR A 63 -13.301 -9.570 -17.396 1.00 64.31 C ATOM 978 O TYR A 63 -12.349 -10.248 -17.784 1.00 73.53 O ATOM 979 CB TYR A 63 -12.955 -7.299 -18.386 1.00 74.23 C ATOM 980 CG TYR A 63 -12.035 -7.970 -19.381 1.00 54.23 C ATOM 981 CD1 TYR A 63 -12.530 -8.872 -20.315 1.00 64.23 C ATOM 982 CD2 TYR A 63 -10.672 -7.702 -19.387 1.00 51.01 C ATOM 983 CE1 TYR A 63 -11.693 -9.488 -21.226 1.00 1.10 C ATOM 984 CE2 TYR A 63 -9.828 -8.312 -20.295 1.00 12.20 C ATOM 985 CZ TYR A 63 -10.343 -9.204 -21.212 1.00 72.01 C ATOM 986 OH TYR A 63 -9.506 -9.815 -22.117 1.00 44.42 O ATOM 0 H TYR A 63 -11.226 -8.531 -16.329 1.00 32.32 H new ATOM 0 HA TYR A 63 -14.026 -7.735 -16.574 1.00 64.23 H new ATOM 0 HB2 TYR A 63 -13.932 -7.154 -18.847 1.00 74.23 H new ATOM 0 HB3 TYR A 63 -12.563 -6.309 -18.152 1.00 74.23 H new ATOM 0 HD1 TYR A 63 -13.587 -9.095 -20.329 1.00 64.23 H new ATOM 0 HD2 TYR A 63 -10.265 -7.005 -18.670 1.00 51.01 H new ATOM 0 HE1 TYR A 63 -12.093 -10.188 -21.945 1.00 1.10 H new ATOM 0 HE2 TYR A 63 -8.771 -8.091 -20.287 1.00 12.20 H new ATOM 0 HH TYR A 63 -9.783 -10.747 -22.242 1.00 44.42 H new ATOM 996 N ASP A 64 -14.520 -10.067 -17.222 1.00 31.41 N ATOM 997 CA ASP A 64 -14.818 -11.471 -17.484 1.00 54.40 C ATOM 998 C ASP A 64 -14.494 -11.834 -18.930 1.00 32.23 C ATOM 999 O ASP A 64 -15.252 -11.514 -19.846 1.00 15.33 O ATOM 1000 CB ASP A 64 -16.290 -11.765 -17.189 1.00 21.13 C ATOM 1001 CG ASP A 64 -16.767 -13.046 -17.844 1.00 61.14 C ATOM 1002 OD1 ASP A 64 -16.010 -14.040 -17.826 1.00 14.20 O ATOM 1003 OD2 ASP A 64 -17.897 -13.055 -18.375 1.00 70.31 O ATOM 0 H ASP A 64 -15.318 -9.519 -16.901 1.00 31.41 H new ATOM 0 HA ASP A 64 -14.195 -12.078 -16.827 1.00 54.40 H new ATOM 0 HB2 ASP A 64 -16.434 -11.836 -16.111 1.00 21.13 H new ATOM 0 HB3 ASP A 64 -16.901 -10.933 -17.538 1.00 21.13 H new ATOM 1008 N CYS A 65 -13.364 -12.503 -19.127 1.00 21.54 N ATOM 1009 CA CYS A 65 -12.938 -12.909 -20.461 1.00 71.15 C ATOM 1010 C CYS A 65 -13.562 -14.246 -20.849 1.00 14.25 C ATOM 1011 O CYS A 65 -13.420 -14.704 -21.981 1.00 62.41 O ATOM 1012 CB CYS A 65 -11.413 -13.007 -20.525 1.00 72.22 C ATOM 1013 SG CYS A 65 -10.733 -12.855 -22.193 1.00 42.34 S ATOM 0 H CYS A 65 -12.726 -12.776 -18.379 1.00 21.54 H new ATOM 0 HA CYS A 65 -13.276 -12.152 -21.169 1.00 71.15 H new ATOM 0 HB2 CYS A 65 -10.983 -12.227 -19.896 1.00 72.22 H new ATOM 0 HB3 CYS A 65 -11.103 -13.963 -20.104 1.00 72.22 H new ATOM 0 HG CYS A 65 -9.437 -12.949 -22.144 1.00 42.34 H new ATOM 1019 N GLY A 66 -14.254 -14.867 -19.898 1.00 72.42 N ATOM 1020 CA GLY A 66 -14.888 -16.146 -20.159 1.00 34.53 C ATOM 1021 C GLY A 66 -14.044 -17.317 -19.695 1.00 75.11 C ATOM 1022 O GLY A 66 -14.573 -18.328 -19.235 1.00 72.21 O ATOM 0 H GLY A 66 -14.387 -14.507 -18.953 1.00 72.42 H new ATOM 0 HA2 GLY A 66 -15.855 -16.178 -19.657 1.00 34.53 H new ATOM 0 HA3 GLY A 66 -15.080 -16.241 -21.228 1.00 34.53 H new ATOM 1026 N ASN A 67 -12.728 -17.181 -19.818 1.00 11.02 N ATOM 1027 CA ASN A 67 -11.809 -18.237 -19.410 1.00 31.33 C ATOM 1028 C ASN A 67 -10.887 -17.755 -18.294 1.00 34.25 C ATOM 1029 O ASN A 67 -10.254 -18.557 -17.606 1.00 41.34 O ATOM 1030 CB ASN A 67 -10.978 -18.709 -20.605 1.00 11.23 C ATOM 1031 CG ASN A 67 -11.419 -20.067 -21.116 1.00 12.31 C ATOM 1032 OD1 ASN A 67 -12.532 -20.515 -20.840 1.00 12.41 O ATOM 1033 ND2 ASN A 67 -10.545 -20.729 -21.865 1.00 54.02 N ATOM 0 H ASN A 67 -12.274 -16.350 -20.197 1.00 11.02 H new ATOM 0 HA ASN A 67 -12.399 -19.072 -19.034 1.00 31.33 H new ATOM 0 HB2 ASN A 67 -11.056 -17.978 -21.410 1.00 11.23 H new ATOM 0 HB3 ASN A 67 -9.928 -18.756 -20.318 1.00 11.23 H new ATOM 0 HD21 ASN A 67 -10.785 -21.648 -22.237 1.00 54.02 H new ATOM 0 HD22 ASN A 67 -9.634 -20.319 -22.068 1.00 54.02 H new ATOM 1040 N LYS A 68 -10.818 -16.440 -18.118 1.00 63.00 N ATOM 1041 CA LYS A 68 -9.976 -15.849 -17.085 1.00 23.14 C ATOM 1042 C LYS A 68 -10.176 -14.338 -17.018 1.00 21.43 C ATOM 1043 O LYS A 68 -10.939 -13.769 -17.799 1.00 23.02 O ATOM 1044 CB LYS A 68 -8.503 -16.168 -17.354 1.00 12.33 C ATOM 1045 CG LYS A 68 -7.972 -15.552 -18.637 1.00 12.34 C ATOM 1046 CD LYS A 68 -8.282 -16.422 -19.843 1.00 21.11 C ATOM 1047 CE LYS A 68 -9.248 -15.733 -20.794 1.00 41.33 C ATOM 1048 NZ LYS A 68 -9.120 -16.249 -22.185 1.00 70.32 N ATOM 0 H LYS A 68 -11.336 -15.763 -18.678 1.00 63.00 H new ATOM 0 HA LYS A 68 -10.265 -16.279 -16.126 1.00 23.14 H new ATOM 0 HB2 LYS A 68 -7.904 -15.813 -16.515 1.00 12.33 H new ATOM 0 HB3 LYS A 68 -8.377 -17.250 -17.401 1.00 12.33 H new ATOM 0 HG2 LYS A 68 -8.412 -14.565 -18.777 1.00 12.34 H new ATOM 0 HG3 LYS A 68 -6.894 -15.412 -18.556 1.00 12.34 H new ATOM 0 HD2 LYS A 68 -7.357 -16.658 -20.370 1.00 21.11 H new ATOM 0 HD3 LYS A 68 -8.710 -17.368 -19.510 1.00 21.11 H new ATOM 0 HE2 LYS A 68 -10.270 -15.881 -20.444 1.00 41.33 H new ATOM 0 HE3 LYS A 68 -9.061 -14.659 -20.786 1.00 41.33 H new ATOM 0 HZ1 LYS A 68 -9.902 -15.882 -22.765 1.00 70.32 H new ATOM 0 HZ2 LYS A 68 -8.214 -15.937 -22.589 1.00 70.32 H new ATOM 0 HZ3 LYS A 68 -9.155 -17.288 -22.174 1.00 70.32 H new ATOM 1062 N ILE A 69 -9.486 -13.696 -16.082 1.00 3.33 N ATOM 1063 CA ILE A 69 -9.586 -12.251 -15.916 1.00 35.13 C ATOM 1064 C ILE A 69 -8.287 -11.560 -16.315 1.00 53.24 C ATOM 1065 O ILE A 69 -7.368 -11.432 -15.508 1.00 3.13 O ATOM 1066 CB ILE A 69 -9.929 -11.874 -14.462 1.00 54.04 C ATOM 1067 CG1 ILE A 69 -11.130 -12.686 -13.972 1.00 2.15 C ATOM 1068 CG2 ILE A 69 -10.212 -10.383 -14.355 1.00 2.14 C ATOM 1069 CD1 ILE A 69 -12.274 -12.731 -14.960 1.00 65.54 C ATOM 0 H ILE A 69 -8.852 -14.153 -15.427 1.00 3.33 H new ATOM 0 HA ILE A 69 -10.390 -11.913 -16.570 1.00 35.13 H new ATOM 0 HB ILE A 69 -9.073 -12.108 -13.829 1.00 54.04 H new ATOM 0 HG12 ILE A 69 -10.806 -13.704 -13.757 1.00 2.15 H new ATOM 0 HG13 ILE A 69 -11.487 -12.261 -13.034 1.00 2.15 H new ATOM 0 HG21 ILE A 69 -10.453 -10.132 -13.322 1.00 2.14 H new ATOM 0 HG22 ILE A 69 -9.332 -9.822 -14.669 1.00 2.14 H new ATOM 0 HG23 ILE A 69 -11.054 -10.126 -14.997 1.00 2.14 H new ATOM 0 HD11 ILE A 69 -13.090 -13.323 -14.545 1.00 65.54 H new ATOM 0 HD12 ILE A 69 -12.625 -11.718 -15.157 1.00 65.54 H new ATOM 0 HD13 ILE A 69 -11.933 -13.184 -15.891 1.00 65.54 H new ATOM 1081 N GLN A 70 -8.221 -11.115 -17.566 1.00 3.20 N ATOM 1082 CA GLN A 70 -7.034 -10.435 -18.072 1.00 72.12 C ATOM 1083 C GLN A 70 -7.037 -8.964 -17.670 1.00 45.14 C ATOM 1084 O GLN A 70 -7.766 -8.154 -18.244 1.00 22.34 O ATOM 1085 CB GLN A 70 -6.960 -10.560 -19.595 1.00 23.01 C ATOM 1086 CG GLN A 70 -5.565 -10.333 -20.157 1.00 35.14 C ATOM 1087 CD GLN A 70 -5.563 -9.405 -21.355 1.00 71.24 C ATOM 1088 OE1 GLN A 70 -6.207 -8.356 -21.344 1.00 11.31 O ATOM 1089 NE2 GLN A 70 -4.836 -9.788 -22.399 1.00 14.41 N ATOM 0 H GLN A 70 -8.974 -11.213 -18.247 1.00 3.20 H new ATOM 0 HA GLN A 70 -6.157 -10.911 -17.632 1.00 72.12 H new ATOM 0 HB2 GLN A 70 -7.303 -11.552 -19.887 1.00 23.01 H new ATOM 0 HB3 GLN A 70 -7.645 -9.841 -20.044 1.00 23.01 H new ATOM 0 HG2 GLN A 70 -4.927 -9.916 -19.378 1.00 35.14 H new ATOM 0 HG3 GLN A 70 -5.133 -11.292 -20.444 1.00 35.14 H new ATOM 0 HE21 GLN A 70 -4.318 -10.666 -22.365 1.00 14.41 H new ATOM 0 HE22 GLN A 70 -4.796 -9.204 -23.235 1.00 14.41 H new ATOM 1098 N PHE A 71 -6.216 -8.624 -16.681 1.00 73.45 N ATOM 1099 CA PHE A 71 -6.125 -7.250 -16.202 1.00 23.43 C ATOM 1100 C PHE A 71 -4.745 -6.665 -16.489 1.00 11.05 C ATOM 1101 O PHE A 71 -3.722 -7.291 -16.210 1.00 34.02 O ATOM 1102 CB PHE A 71 -6.414 -7.192 -14.700 1.00 50.44 C ATOM 1103 CG PHE A 71 -5.238 -7.574 -13.848 1.00 1.41 C ATOM 1104 CD1 PHE A 71 -4.785 -8.883 -13.815 1.00 52.23 C ATOM 1105 CD2 PHE A 71 -4.585 -6.624 -13.079 1.00 43.55 C ATOM 1106 CE1 PHE A 71 -3.704 -9.237 -13.031 1.00 43.10 C ATOM 1107 CE2 PHE A 71 -3.502 -6.972 -12.294 1.00 13.35 C ATOM 1108 CZ PHE A 71 -3.061 -8.280 -12.270 1.00 63.12 C ATOM 0 H PHE A 71 -5.605 -9.281 -16.196 1.00 73.45 H new ATOM 0 HA PHE A 71 -6.870 -6.656 -16.732 1.00 23.43 H new ATOM 0 HB2 PHE A 71 -6.730 -6.182 -14.438 1.00 50.44 H new ATOM 0 HB3 PHE A 71 -7.248 -7.856 -14.473 1.00 50.44 H new ATOM 0 HD1 PHE A 71 -5.283 -9.635 -14.409 1.00 52.23 H new ATOM 0 HD2 PHE A 71 -4.926 -5.599 -13.093 1.00 43.55 H new ATOM 0 HE1 PHE A 71 -3.362 -10.261 -13.013 1.00 43.10 H new ATOM 0 HE2 PHE A 71 -3.001 -6.222 -11.700 1.00 13.35 H new ATOM 0 HZ PHE A 71 -2.215 -8.555 -11.657 1.00 63.12 H new ATOM 1118 N VAL A 72 -4.725 -5.459 -17.048 1.00 71.42 N ATOM 1119 CA VAL A 72 -3.472 -4.788 -17.373 1.00 32.01 C ATOM 1120 C VAL A 72 -3.428 -3.387 -16.774 1.00 12.14 C ATOM 1121 O VAL A 72 -4.464 -2.746 -16.588 1.00 23.31 O ATOM 1122 CB VAL A 72 -3.267 -4.690 -18.896 1.00 44.42 C ATOM 1123 CG1 VAL A 72 -3.579 -6.020 -19.564 1.00 50.24 C ATOM 1124 CG2 VAL A 72 -4.125 -3.577 -19.478 1.00 42.44 C ATOM 0 H VAL A 72 -5.562 -4.927 -17.285 1.00 71.42 H new ATOM 0 HA VAL A 72 -2.670 -5.389 -16.944 1.00 32.01 H new ATOM 0 HB VAL A 72 -2.221 -4.451 -19.090 1.00 44.42 H new ATOM 0 HG11 VAL A 72 -3.428 -5.931 -20.640 1.00 50.24 H new ATOM 0 HG12 VAL A 72 -2.918 -6.790 -19.168 1.00 50.24 H new ATOM 0 HG13 VAL A 72 -4.615 -6.293 -19.364 1.00 50.24 H new ATOM 0 HG21 VAL A 72 -3.968 -3.522 -20.555 1.00 42.44 H new ATOM 0 HG22 VAL A 72 -5.176 -3.784 -19.275 1.00 42.44 H new ATOM 0 HG23 VAL A 72 -3.847 -2.627 -19.022 1.00 42.44 H new ATOM 1134 N LEU A 73 -2.223 -2.916 -16.473 1.00 50.21 N ATOM 1135 CA LEU A 73 -2.043 -1.589 -15.895 1.00 3.34 C ATOM 1136 C LEU A 73 -1.020 -0.783 -16.689 1.00 24.03 C ATOM 1137 O LEU A 73 -0.090 -1.343 -17.270 1.00 52.02 O ATOM 1138 CB LEU A 73 -1.598 -1.703 -14.436 1.00 3.04 C ATOM 1139 CG LEU A 73 -0.643 -2.853 -14.113 1.00 41.12 C ATOM 1140 CD1 LEU A 73 -1.365 -4.188 -14.207 1.00 64.33 C ATOM 1141 CD2 LEU A 73 0.558 -2.827 -15.047 1.00 42.32 C ATOM 0 H LEU A 73 -1.356 -3.433 -16.620 1.00 50.21 H new ATOM 0 HA LEU A 73 -3.000 -1.069 -15.937 1.00 3.34 H new ATOM 0 HB2 LEU A 73 -1.118 -0.767 -14.149 1.00 3.04 H new ATOM 0 HB3 LEU A 73 -2.486 -1.809 -13.813 1.00 3.04 H new ATOM 0 HG LEU A 73 -0.286 -2.728 -13.091 1.00 41.12 H new ATOM 0 HD11 LEU A 73 -0.670 -4.995 -13.974 1.00 64.33 H new ATOM 0 HD12 LEU A 73 -2.192 -4.205 -13.497 1.00 64.33 H new ATOM 0 HD13 LEU A 73 -1.751 -4.322 -15.217 1.00 64.33 H new ATOM 0 HD21 LEU A 73 1.227 -3.652 -14.803 1.00 42.32 H new ATOM 0 HD22 LEU A 73 0.219 -2.928 -16.078 1.00 42.32 H new ATOM 0 HD23 LEU A 73 1.089 -1.883 -14.930 1.00 42.32 H new ATOM 1153 N TRP A 74 -1.196 0.533 -16.707 1.00 10.14 N ATOM 1154 CA TRP A 74 -0.286 1.416 -17.428 1.00 14.34 C ATOM 1155 C TRP A 74 0.465 2.328 -16.464 1.00 23.21 C ATOM 1156 O TRP A 74 -0.129 3.200 -15.829 1.00 42.34 O ATOM 1157 CB TRP A 74 -1.059 2.256 -18.446 1.00 43.31 C ATOM 1158 CG TRP A 74 -1.801 1.433 -19.454 1.00 74.32 C ATOM 1159 CD1 TRP A 74 -1.439 0.209 -19.940 1.00 32.45 C ATOM 1160 CD2 TRP A 74 -3.032 1.775 -20.101 1.00 42.04 C ATOM 1161 NE1 TRP A 74 -2.370 -0.231 -20.849 1.00 54.35 N ATOM 1162 CE2 TRP A 74 -3.358 0.712 -20.966 1.00 23.41 C ATOM 1163 CE3 TRP A 74 -3.891 2.875 -20.033 1.00 61.03 C ATOM 1164 CZ2 TRP A 74 -4.505 0.719 -21.755 1.00 44.23 C ATOM 1165 CZ3 TRP A 74 -5.029 2.881 -20.818 1.00 3.13 C ATOM 1166 CH2 TRP A 74 -5.328 1.809 -21.669 1.00 22.13 C ATOM 0 H TRP A 74 -1.960 1.012 -16.231 1.00 10.14 H new ATOM 0 HA TRP A 74 0.441 0.797 -17.954 1.00 14.34 H new ATOM 0 HB2 TRP A 74 -1.767 2.894 -17.917 1.00 43.31 H new ATOM 0 HB3 TRP A 74 -0.363 2.914 -18.966 1.00 43.31 H new ATOM 0 HD1 TRP A 74 -0.551 -0.333 -19.652 1.00 32.45 H new ATOM 0 HE1 TRP A 74 -2.332 -1.116 -21.355 1.00 54.35 H new ATOM 0 HE3 TRP A 74 -3.670 3.706 -19.379 1.00 61.03 H new ATOM 0 HZ2 TRP A 74 -4.737 -0.106 -22.412 1.00 44.23 H new ATOM 0 HZ3 TRP A 74 -5.699 3.727 -20.774 1.00 3.13 H new ATOM 0 HH2 TRP A 74 -6.225 1.843 -22.269 1.00 22.13 H new ATOM 1177 N CYS A 75 1.773 2.121 -16.359 1.00 62.40 N ATOM 1178 CA CYS A 75 2.606 2.924 -15.471 1.00 51.42 C ATOM 1179 C CYS A 75 2.593 4.390 -15.893 1.00 63.01 C ATOM 1180 O CYS A 75 2.828 4.730 -17.053 1.00 75.41 O ATOM 1181 CB CYS A 75 4.041 2.395 -15.466 1.00 33.13 C ATOM 1182 SG CYS A 75 4.325 1.045 -14.297 1.00 73.43 S ATOM 0 H CYS A 75 2.280 1.404 -16.878 1.00 62.40 H new ATOM 0 HA CYS A 75 2.196 2.850 -14.464 1.00 51.42 H new ATOM 0 HB2 CYS A 75 4.294 2.052 -16.469 1.00 33.13 H new ATOM 0 HB3 CYS A 75 4.719 3.215 -15.229 1.00 33.13 H new ATOM 0 HG CYS A 75 5.566 0.664 -14.367 1.00 73.43 H new ATOM 1188 N PRO A 76 2.312 5.281 -14.931 1.00 31.35 N ATOM 1189 CA PRO A 76 2.261 6.725 -15.179 1.00 34.55 C ATOM 1190 C PRO A 76 3.639 7.314 -15.457 1.00 40.20 C ATOM 1191 O PRO A 76 4.625 6.938 -14.823 1.00 1.31 O ATOM 1192 CB PRO A 76 1.691 7.288 -13.874 1.00 44.53 C ATOM 1193 CG PRO A 76 2.054 6.283 -12.837 1.00 21.14 C ATOM 1194 CD PRO A 76 2.023 4.947 -13.526 1.00 35.22 C ATOM 0 HA PRO A 76 1.666 6.967 -16.060 1.00 34.55 H new ATOM 0 HB2 PRO A 76 2.117 8.265 -13.645 1.00 44.53 H new ATOM 0 HB3 PRO A 76 0.611 7.419 -13.938 1.00 44.53 H new ATOM 0 HG2 PRO A 76 3.042 6.487 -12.425 1.00 21.14 H new ATOM 0 HG3 PRO A 76 1.350 6.309 -12.005 1.00 21.14 H new ATOM 0 HD2 PRO A 76 2.767 4.265 -13.114 1.00 35.22 H new ATOM 0 HD3 PRO A 76 1.052 4.462 -13.420 1.00 35.22 H new ATOM 1202 N ASP A 77 3.700 8.239 -16.408 1.00 43.52 N ATOM 1203 CA ASP A 77 4.958 8.882 -16.770 1.00 3.54 C ATOM 1204 C ASP A 77 5.206 10.115 -15.906 1.00 3.12 C ATOM 1205 O ASP A 77 6.206 10.812 -16.074 1.00 51.11 O ATOM 1206 CB ASP A 77 4.949 9.274 -18.248 1.00 64.21 C ATOM 1207 CG ASP A 77 6.334 9.236 -18.865 1.00 74.03 C ATOM 1208 OD1 ASP A 77 7.046 10.259 -18.788 1.00 62.04 O ATOM 1209 OD2 ASP A 77 6.705 8.183 -19.425 1.00 12.15 O ATOM 0 H ASP A 77 2.893 8.561 -16.942 1.00 43.52 H new ATOM 0 HA ASP A 77 5.764 8.170 -16.596 1.00 3.54 H new ATOM 0 HB2 ASP A 77 4.292 8.599 -18.796 1.00 64.21 H new ATOM 0 HB3 ASP A 77 4.535 10.277 -18.353 1.00 64.21 H new ATOM 1214 N ASN A 78 4.288 10.378 -14.981 1.00 43.13 N ATOM 1215 CA ASN A 78 4.407 11.528 -14.092 1.00 74.10 C ATOM 1216 C ASN A 78 5.186 11.163 -12.832 1.00 44.54 C ATOM 1217 O ASN A 78 5.864 12.006 -12.244 1.00 64.55 O ATOM 1218 CB ASN A 78 3.019 12.051 -13.713 1.00 64.21 C ATOM 1219 CG ASN A 78 2.875 13.540 -13.962 1.00 71.31 C ATOM 1220 OD1 ASN A 78 3.257 14.360 -13.127 1.00 61.14 O ATOM 1221 ND2 ASN A 78 2.320 13.895 -15.115 1.00 45.42 N ATOM 0 H ASN A 78 3.454 9.811 -14.828 1.00 43.13 H new ATOM 0 HA ASN A 78 4.952 12.310 -14.621 1.00 74.10 H new ATOM 0 HB2 ASN A 78 2.263 11.515 -14.286 1.00 64.21 H new ATOM 0 HB3 ASN A 78 2.830 11.841 -12.660 1.00 64.21 H new ATOM 0 HD21 ASN A 78 2.195 14.882 -15.338 1.00 45.42 H new ATOM 0 HD22 ASN A 78 2.018 13.180 -15.777 1.00 45.42 H new ATOM 1228 N ALA A 79 5.085 9.903 -12.425 1.00 23.45 N ATOM 1229 CA ALA A 79 5.783 9.426 -11.237 1.00 31.31 C ATOM 1230 C ALA A 79 5.471 7.957 -10.969 1.00 53.25 C ATOM 1231 O ALA A 79 4.735 7.612 -10.044 1.00 44.52 O ATOM 1232 CB ALA A 79 5.411 10.275 -10.030 1.00 63.50 C ATOM 0 H ALA A 79 4.527 9.194 -12.900 1.00 23.45 H new ATOM 0 HA ALA A 79 6.855 9.516 -11.415 1.00 31.31 H new ATOM 0 HB1 ALA A 79 5.939 9.908 -9.150 1.00 63.50 H new ATOM 0 HB2 ALA A 79 5.691 11.312 -10.215 1.00 63.50 H new ATOM 0 HB3 ALA A 79 4.336 10.214 -9.860 1.00 63.50 H new ATOM 1238 N PRO A 80 6.041 7.070 -11.798 1.00 21.21 N ATOM 1239 CA PRO A 80 5.838 5.624 -11.671 1.00 33.35 C ATOM 1240 C PRO A 80 6.516 5.050 -10.431 1.00 74.11 C ATOM 1241 O PRO A 80 6.091 4.025 -9.897 1.00 50.11 O ATOM 1242 CB PRO A 80 6.481 5.062 -12.941 1.00 23.24 C ATOM 1243 CG PRO A 80 7.496 6.079 -13.333 1.00 3.21 C ATOM 1244 CD PRO A 80 6.929 7.410 -12.922 1.00 71.14 C ATOM 0 HA PRO A 80 4.784 5.369 -11.562 1.00 33.35 H new ATOM 0 HB2 PRO A 80 6.943 4.093 -12.755 1.00 23.24 H new ATOM 0 HB3 PRO A 80 5.741 4.917 -13.728 1.00 23.24 H new ATOM 0 HG2 PRO A 80 8.448 5.891 -12.838 1.00 3.21 H new ATOM 0 HG3 PRO A 80 7.684 6.049 -14.406 1.00 3.21 H new ATOM 0 HD2 PRO A 80 7.713 8.104 -12.619 1.00 71.14 H new ATOM 0 HD3 PRO A 80 6.382 7.883 -13.738 1.00 71.14 H new ATOM 1252 N VAL A 81 7.572 5.717 -9.977 1.00 51.34 N ATOM 1253 CA VAL A 81 8.308 5.274 -8.799 1.00 51.33 C ATOM 1254 C VAL A 81 7.363 4.984 -7.638 1.00 45.22 C ATOM 1255 O VAL A 81 7.675 4.186 -6.754 1.00 3.42 O ATOM 1256 CB VAL A 81 9.342 6.326 -8.355 1.00 71.11 C ATOM 1257 CG1 VAL A 81 8.668 7.667 -8.111 1.00 10.54 C ATOM 1258 CG2 VAL A 81 10.079 5.855 -7.110 1.00 52.43 C ATOM 0 H VAL A 81 7.937 6.567 -10.407 1.00 51.34 H new ATOM 0 HA VAL A 81 8.829 4.358 -9.077 1.00 51.33 H new ATOM 0 HB VAL A 81 10.072 6.454 -9.155 1.00 71.11 H new ATOM 0 HG11 VAL A 81 9.414 8.398 -7.798 1.00 10.54 H new ATOM 0 HG12 VAL A 81 8.190 8.007 -9.030 1.00 10.54 H new ATOM 0 HG13 VAL A 81 7.916 7.559 -7.330 1.00 10.54 H new ATOM 0 HG21 VAL A 81 10.806 6.610 -6.810 1.00 52.43 H new ATOM 0 HG22 VAL A 81 9.365 5.698 -6.302 1.00 52.43 H new ATOM 0 HG23 VAL A 81 10.595 4.920 -7.325 1.00 52.43 H new ATOM 1268 N LYS A 82 6.206 5.637 -7.647 1.00 22.20 N ATOM 1269 CA LYS A 82 5.213 5.449 -6.596 1.00 22.20 C ATOM 1270 C LYS A 82 4.421 4.165 -6.819 1.00 71.34 C ATOM 1271 O LYS A 82 4.491 3.219 -6.034 1.00 51.01 O ATOM 1272 CB LYS A 82 4.261 6.646 -6.545 1.00 60.24 C ATOM 1273 CG LYS A 82 4.489 7.555 -5.350 1.00 63.40 C ATOM 1274 CD LYS A 82 3.716 7.078 -4.132 1.00 5.14 C ATOM 1275 CE LYS A 82 3.027 8.233 -3.422 1.00 5.43 C ATOM 1276 NZ LYS A 82 1.701 7.836 -2.874 1.00 71.01 N ATOM 0 H LYS A 82 5.933 6.302 -8.371 1.00 22.20 H new ATOM 0 HA LYS A 82 5.739 5.370 -5.644 1.00 22.20 H new ATOM 0 HB2 LYS A 82 4.373 7.228 -7.460 1.00 60.24 H new ATOM 0 HB3 LYS A 82 3.234 6.282 -6.523 1.00 60.24 H new ATOM 0 HG2 LYS A 82 5.553 7.590 -5.116 1.00 63.40 H new ATOM 0 HG3 LYS A 82 4.184 8.571 -5.601 1.00 63.40 H new ATOM 0 HD2 LYS A 82 2.973 6.342 -4.437 1.00 5.14 H new ATOM 0 HD3 LYS A 82 4.395 6.578 -3.441 1.00 5.14 H new ATOM 0 HE2 LYS A 82 3.662 8.592 -2.612 1.00 5.43 H new ATOM 0 HE3 LYS A 82 2.899 9.062 -4.118 1.00 5.43 H new ATOM 0 HZ1 LYS A 82 1.264 8.651 -2.398 1.00 71.01 H new ATOM 0 HZ2 LYS A 82 1.086 7.518 -3.650 1.00 71.01 H new ATOM 0 HZ3 LYS A 82 1.825 7.062 -2.191 1.00 71.01 H new ATOM 1290 N PRO A 83 3.650 4.127 -7.916 1.00 53.32 N ATOM 1291 CA PRO A 83 2.831 2.964 -8.269 1.00 62.41 C ATOM 1292 C PRO A 83 3.676 1.771 -8.703 1.00 62.23 C ATOM 1293 O PRO A 83 3.548 0.675 -8.156 1.00 41.41 O ATOM 1294 CB PRO A 83 1.980 3.469 -9.437 1.00 3.33 C ATOM 1295 CG PRO A 83 2.779 4.574 -10.037 1.00 42.11 C ATOM 1296 CD PRO A 83 3.518 5.218 -8.897 1.00 12.25 C ATOM 0 HA PRO A 83 2.246 2.606 -7.422 1.00 62.41 H new ATOM 0 HB2 PRO A 83 1.793 2.677 -10.162 1.00 3.33 H new ATOM 0 HB3 PRO A 83 1.008 3.824 -9.094 1.00 3.33 H new ATOM 0 HG2 PRO A 83 3.473 4.192 -10.785 1.00 42.11 H new ATOM 0 HG3 PRO A 83 2.133 5.294 -10.540 1.00 42.11 H new ATOM 0 HD2 PRO A 83 4.491 5.596 -9.211 1.00 12.25 H new ATOM 0 HD3 PRO A 83 2.965 6.063 -8.486 1.00 12.25 H new ATOM 1304 N ARG A 84 4.540 1.991 -9.689 1.00 73.23 N ATOM 1305 CA ARG A 84 5.405 0.933 -10.197 1.00 42.20 C ATOM 1306 C ARG A 84 6.052 0.162 -9.050 1.00 13.11 C ATOM 1307 O ARG A 84 6.372 -1.018 -9.185 1.00 70.34 O ATOM 1308 CB ARG A 84 6.487 1.522 -11.104 1.00 25.12 C ATOM 1309 CG ARG A 84 7.281 0.473 -11.865 1.00 63.21 C ATOM 1310 CD ARG A 84 8.594 0.153 -11.168 1.00 2.14 C ATOM 1311 NE ARG A 84 9.341 -0.894 -11.860 1.00 32.13 N ATOM 1312 CZ ARG A 84 10.022 -0.692 -12.982 1.00 54.33 C ATOM 1313 NH1 ARG A 84 10.050 0.513 -13.536 1.00 61.53 N ATOM 1314 NH2 ARG A 84 10.676 -1.695 -13.553 1.00 21.23 N ATOM 0 H ARG A 84 4.659 2.892 -10.152 1.00 73.23 H new ATOM 0 HA ARG A 84 4.791 0.242 -10.776 1.00 42.20 H new ATOM 0 HB2 ARG A 84 6.021 2.201 -11.818 1.00 25.12 H new ATOM 0 HB3 ARG A 84 7.172 2.116 -10.499 1.00 25.12 H new ATOM 0 HG2 ARG A 84 6.687 -0.436 -11.960 1.00 63.21 H new ATOM 0 HG3 ARG A 84 7.482 0.829 -12.875 1.00 63.21 H new ATOM 0 HD2 ARG A 84 9.203 1.055 -11.111 1.00 2.14 H new ATOM 0 HD3 ARG A 84 8.393 -0.162 -10.144 1.00 2.14 H new ATOM 0 HE ARG A 84 9.340 -1.832 -11.459 1.00 32.13 H new ATOM 0 HH11 ARG A 84 9.548 1.286 -13.100 1.00 61.53 H new ATOM 0 HH12 ARG A 84 10.574 0.666 -14.398 1.00 61.53 H new ATOM 0 HH21 ARG A 84 10.656 -2.623 -13.130 1.00 21.23 H new ATOM 0 HH22 ARG A 84 11.199 -1.538 -14.415 1.00 21.23 H new ATOM 1328 N MET A 85 6.241 0.838 -7.922 1.00 12.54 N ATOM 1329 CA MET A 85 6.849 0.216 -6.751 1.00 15.40 C ATOM 1330 C MET A 85 5.785 -0.412 -5.856 1.00 24.40 C ATOM 1331 O MET A 85 5.909 -1.566 -5.444 1.00 33.41 O ATOM 1332 CB MET A 85 7.653 1.248 -5.959 1.00 5.43 C ATOM 1333 CG MET A 85 8.983 1.607 -6.603 1.00 20.44 C ATOM 1334 SD MET A 85 10.252 0.358 -6.317 1.00 71.30 S ATOM 1335 CE MET A 85 11.168 0.448 -7.854 1.00 11.35 C ATOM 0 H MET A 85 5.982 1.816 -7.794 1.00 12.54 H new ATOM 0 HA MET A 85 7.520 -0.571 -7.095 1.00 15.40 H new ATOM 0 HB2 MET A 85 7.056 2.153 -5.848 1.00 5.43 H new ATOM 0 HB3 MET A 85 7.837 0.862 -4.956 1.00 5.43 H new ATOM 0 HG2 MET A 85 8.840 1.735 -7.676 1.00 20.44 H new ATOM 0 HG3 MET A 85 9.326 2.564 -6.210 1.00 20.44 H new ATOM 0 HE1 MET A 85 11.989 -0.268 -7.831 1.00 11.35 H new ATOM 0 HE2 MET A 85 10.505 0.213 -8.687 1.00 11.35 H new ATOM 0 HE3 MET A 85 11.568 1.454 -7.981 1.00 11.35 H new ATOM 1345 N THR A 86 4.740 0.354 -5.558 1.00 24.52 N ATOM 1346 CA THR A 86 3.657 -0.128 -4.711 1.00 33.14 C ATOM 1347 C THR A 86 2.772 -1.118 -5.459 1.00 72.14 C ATOM 1348 O THR A 86 2.675 -2.287 -5.083 1.00 52.55 O ATOM 1349 CB THR A 86 2.786 1.034 -4.197 1.00 3.23 C ATOM 1350 OG1 THR A 86 3.593 1.963 -3.463 1.00 75.13 O ATOM 1351 CG2 THR A 86 1.664 0.518 -3.309 1.00 53.32 C ATOM 0 H THR A 86 4.621 1.311 -5.891 1.00 24.52 H new ATOM 0 HA THR A 86 4.120 -0.629 -3.861 1.00 33.14 H new ATOM 0 HB THR A 86 2.345 1.537 -5.058 1.00 3.23 H new ATOM 0 HG1 THR A 86 4.055 2.560 -4.088 1.00 75.13 H new ATOM 0 HG21 THR A 86 1.063 1.357 -2.958 1.00 53.32 H new ATOM 0 HG22 THR A 86 1.035 -0.166 -3.878 1.00 53.32 H new ATOM 0 HG23 THR A 86 2.089 -0.007 -2.453 1.00 53.32 H new ATOM 1359 N TYR A 87 2.129 -0.644 -6.521 1.00 33.24 N ATOM 1360 CA TYR A 87 1.250 -1.488 -7.322 1.00 30.04 C ATOM 1361 C TYR A 87 1.921 -2.819 -7.648 1.00 1.25 C ATOM 1362 O TYR A 87 1.262 -3.854 -7.735 1.00 73.15 O ATOM 1363 CB TYR A 87 0.859 -0.771 -8.615 1.00 44.10 C ATOM 1364 CG TYR A 87 -0.268 0.221 -8.441 1.00 10.35 C ATOM 1365 CD1 TYR A 87 -0.192 1.229 -7.487 1.00 42.23 C ATOM 1366 CD2 TYR A 87 -1.409 0.151 -9.230 1.00 15.41 C ATOM 1367 CE1 TYR A 87 -1.220 2.137 -7.324 1.00 41.30 C ATOM 1368 CE2 TYR A 87 -2.442 1.056 -9.075 1.00 1.13 C ATOM 1369 CZ TYR A 87 -2.343 2.047 -8.120 1.00 64.21 C ATOM 1370 OH TYR A 87 -3.368 2.950 -7.962 1.00 13.45 O ATOM 0 H TYR A 87 2.200 0.320 -6.847 1.00 33.24 H new ATOM 0 HA TYR A 87 0.351 -1.688 -6.739 1.00 30.04 H new ATOM 0 HB2 TYR A 87 1.732 -0.251 -9.010 1.00 44.10 H new ATOM 0 HB3 TYR A 87 0.567 -1.513 -9.358 1.00 44.10 H new ATOM 0 HD1 TYR A 87 0.686 1.304 -6.862 1.00 42.23 H new ATOM 0 HD2 TYR A 87 -1.490 -0.624 -9.978 1.00 15.41 H new ATOM 0 HE1 TYR A 87 -1.145 2.913 -6.577 1.00 41.30 H new ATOM 0 HE2 TYR A 87 -3.322 0.988 -9.698 1.00 1.13 H new ATOM 0 HH TYR A 87 -3.567 3.373 -8.823 1.00 13.45 H new ATOM 1380 N ALA A 88 3.238 -2.782 -7.825 1.00 33.30 N ATOM 1381 CA ALA A 88 4.000 -3.984 -8.138 1.00 71.53 C ATOM 1382 C ALA A 88 3.933 -4.991 -6.995 1.00 13.25 C ATOM 1383 O ALA A 88 3.574 -6.151 -7.196 1.00 52.11 O ATOM 1384 CB ALA A 88 5.447 -3.627 -8.445 1.00 73.10 C ATOM 0 H ALA A 88 3.799 -1.933 -7.757 1.00 33.30 H new ATOM 0 HA ALA A 88 3.556 -4.445 -9.020 1.00 71.53 H new ATOM 0 HB1 ALA A 88 6.004 -4.535 -8.677 1.00 73.10 H new ATOM 0 HB2 ALA A 88 5.482 -2.951 -9.300 1.00 73.10 H new ATOM 0 HB3 ALA A 88 5.893 -3.139 -7.578 1.00 73.10 H new ATOM 1390 N SER A 89 4.281 -4.539 -5.794 1.00 31.21 N ATOM 1391 CA SER A 89 4.264 -5.402 -4.618 1.00 43.14 C ATOM 1392 C SER A 89 2.865 -5.471 -4.015 1.00 74.21 C ATOM 1393 O SER A 89 2.657 -6.089 -2.971 1.00 74.10 O ATOM 1394 CB SER A 89 5.258 -4.893 -3.572 1.00 62.54 C ATOM 1395 OG SER A 89 6.595 -5.093 -3.999 1.00 74.33 O ATOM 0 H SER A 89 4.578 -3.581 -5.610 1.00 31.21 H new ATOM 0 HA SER A 89 4.556 -6.405 -4.929 1.00 43.14 H new ATOM 0 HB2 SER A 89 5.086 -3.832 -3.388 1.00 62.54 H new ATOM 0 HB3 SER A 89 5.093 -5.411 -2.627 1.00 62.54 H new ATOM 0 HG SER A 89 7.211 -4.758 -3.314 1.00 74.33 H new ATOM 1401 N SER A 90 1.908 -4.832 -4.681 1.00 31.04 N ATOM 1402 CA SER A 90 0.528 -4.817 -4.209 1.00 41.03 C ATOM 1403 C SER A 90 -0.312 -5.850 -4.954 1.00 62.12 C ATOM 1404 O SER A 90 -1.339 -6.309 -4.455 1.00 74.31 O ATOM 1405 CB SER A 90 -0.079 -3.424 -4.389 1.00 32.24 C ATOM 1406 OG SER A 90 0.596 -2.467 -3.591 1.00 35.13 O ATOM 0 H SER A 90 2.063 -4.318 -5.548 1.00 31.04 H new ATOM 0 HA SER A 90 0.529 -5.071 -3.149 1.00 41.03 H new ATOM 0 HB2 SER A 90 -0.023 -3.132 -5.438 1.00 32.24 H new ATOM 0 HB3 SER A 90 -1.135 -3.446 -4.120 1.00 32.24 H new ATOM 0 HG SER A 90 1.545 -2.447 -3.836 1.00 35.13 H new ATOM 1412 N LYS A 91 0.133 -6.212 -6.153 1.00 2.12 N ATOM 1413 CA LYS A 91 -0.575 -7.191 -6.969 1.00 25.54 C ATOM 1414 C LYS A 91 -0.920 -8.432 -6.151 1.00 73.13 C ATOM 1415 O LYS A 91 -1.930 -9.090 -6.402 1.00 31.34 O ATOM 1416 CB LYS A 91 0.274 -7.586 -8.180 1.00 1.35 C ATOM 1417 CG LYS A 91 1.427 -8.514 -7.838 1.00 40.21 C ATOM 1418 CD LYS A 91 2.579 -8.355 -8.816 1.00 1.10 C ATOM 1419 CE LYS A 91 3.882 -8.880 -8.232 1.00 50.43 C ATOM 1420 NZ LYS A 91 4.170 -10.270 -8.680 1.00 31.41 N ATOM 0 H LYS A 91 0.981 -5.841 -6.581 1.00 2.12 H new ATOM 0 HA LYS A 91 -1.502 -6.736 -7.316 1.00 25.54 H new ATOM 0 HB2 LYS A 91 -0.365 -8.071 -8.918 1.00 1.35 H new ATOM 0 HB3 LYS A 91 0.671 -6.683 -8.645 1.00 1.35 H new ATOM 0 HG2 LYS A 91 1.776 -8.305 -6.827 1.00 40.21 H new ATOM 0 HG3 LYS A 91 1.079 -9.547 -7.849 1.00 40.21 H new ATOM 0 HD2 LYS A 91 2.351 -8.889 -9.738 1.00 1.10 H new ATOM 0 HD3 LYS A 91 2.694 -7.303 -9.077 1.00 1.10 H new ATOM 0 HE2 LYS A 91 4.702 -8.226 -8.528 1.00 50.43 H new ATOM 0 HE3 LYS A 91 3.829 -8.853 -7.144 1.00 50.43 H new ATOM 0 HZ1 LYS A 91 5.066 -10.591 -8.261 1.00 31.41 H new ATOM 0 HZ2 LYS A 91 3.400 -10.899 -8.376 1.00 31.41 H new ATOM 0 HZ3 LYS A 91 4.246 -10.292 -9.717 1.00 31.41 H new ATOM 1434 N ASP A 92 -0.077 -8.745 -5.173 1.00 52.54 N ATOM 1435 CA ASP A 92 -0.295 -9.905 -4.317 1.00 54.14 C ATOM 1436 C ASP A 92 -1.714 -9.908 -3.758 1.00 35.14 C ATOM 1437 O ASP A 92 -2.305 -10.966 -3.543 1.00 30.21 O ATOM 1438 CB ASP A 92 0.718 -9.918 -3.172 1.00 21.01 C ATOM 1439 CG ASP A 92 2.132 -9.647 -3.647 1.00 0.53 C ATOM 1440 OD1 ASP A 92 2.568 -10.301 -4.617 1.00 43.32 O ATOM 1441 OD2 ASP A 92 2.802 -8.779 -3.048 1.00 61.33 O ATOM 0 H ASP A 92 0.764 -8.211 -4.953 1.00 52.54 H new ATOM 0 HA ASP A 92 -0.160 -10.802 -4.921 1.00 54.14 H new ATOM 0 HB2 ASP A 92 0.436 -9.168 -2.433 1.00 21.01 H new ATOM 0 HB3 ASP A 92 0.685 -10.886 -2.672 1.00 21.01 H new ATOM 1446 N ALA A 93 -2.255 -8.717 -3.523 1.00 31.04 N ATOM 1447 CA ALA A 93 -3.605 -8.583 -2.989 1.00 2.32 C ATOM 1448 C ALA A 93 -4.625 -8.421 -4.110 1.00 72.14 C ATOM 1449 O ALA A 93 -5.619 -9.147 -4.169 1.00 64.13 O ATOM 1450 CB ALA A 93 -3.679 -7.402 -2.031 1.00 64.44 C ATOM 0 H ALA A 93 -1.779 -7.831 -3.694 1.00 31.04 H new ATOM 0 HA ALA A 93 -3.845 -9.495 -2.443 1.00 2.32 H new ATOM 0 HB1 ALA A 93 -4.693 -7.314 -1.640 1.00 64.44 H new ATOM 0 HB2 ALA A 93 -2.984 -7.559 -1.206 1.00 64.44 H new ATOM 0 HB3 ALA A 93 -3.413 -6.487 -2.560 1.00 64.44 H new ATOM 1456 N LEU A 94 -4.375 -7.465 -4.998 1.00 70.12 N ATOM 1457 CA LEU A 94 -5.273 -7.208 -6.119 1.00 1.43 C ATOM 1458 C LEU A 94 -5.639 -8.505 -6.833 1.00 1.14 C ATOM 1459 O LEU A 94 -6.816 -8.847 -6.957 1.00 43.13 O ATOM 1460 CB LEU A 94 -4.624 -6.235 -7.105 1.00 23.11 C ATOM 1461 CG LEU A 94 -4.546 -4.776 -6.655 1.00 45.34 C ATOM 1462 CD1 LEU A 94 -5.854 -4.345 -6.011 1.00 41.20 C ATOM 1463 CD2 LEU A 94 -3.384 -4.575 -5.693 1.00 63.53 C ATOM 0 H LEU A 94 -3.558 -6.855 -4.964 1.00 70.12 H new ATOM 0 HA LEU A 94 -6.186 -6.762 -5.726 1.00 1.43 H new ATOM 0 HB2 LEU A 94 -3.613 -6.584 -7.316 1.00 23.11 H new ATOM 0 HB3 LEU A 94 -5.178 -6.276 -8.043 1.00 23.11 H new ATOM 0 HG LEU A 94 -4.375 -4.154 -7.534 1.00 45.34 H new ATOM 0 HD11 LEU A 94 -5.779 -3.304 -5.697 1.00 41.20 H new ATOM 0 HD12 LEU A 94 -6.666 -4.450 -6.731 1.00 41.20 H new ATOM 0 HD13 LEU A 94 -6.056 -4.972 -5.143 1.00 41.20 H new ATOM 0 HD21 LEU A 94 -3.344 -3.531 -5.384 1.00 63.53 H new ATOM 0 HD22 LEU A 94 -3.523 -5.208 -4.817 1.00 63.53 H new ATOM 0 HD23 LEU A 94 -2.451 -4.842 -6.189 1.00 63.53 H new ATOM 1475 N LEU A 95 -4.624 -9.225 -7.298 1.00 1.33 N ATOM 1476 CA LEU A 95 -4.838 -10.487 -7.997 1.00 51.34 C ATOM 1477 C LEU A 95 -5.552 -11.493 -7.100 1.00 41.50 C ATOM 1478 O LEU A 95 -6.264 -12.374 -7.581 1.00 30.32 O ATOM 1479 CB LEU A 95 -3.502 -11.064 -8.469 1.00 34.44 C ATOM 1480 CG LEU A 95 -3.083 -10.709 -9.896 1.00 13.25 C ATOM 1481 CD1 LEU A 95 -1.568 -10.722 -10.026 1.00 11.42 C ATOM 1482 CD2 LEU A 95 -3.714 -11.670 -10.892 1.00 33.40 C ATOM 0 H LEU A 95 -3.645 -8.956 -7.204 1.00 1.33 H new ATOM 0 HA LEU A 95 -5.469 -10.291 -8.864 1.00 51.34 H new ATOM 0 HB2 LEU A 95 -2.722 -10.725 -7.788 1.00 34.44 H new ATOM 0 HB3 LEU A 95 -3.548 -12.150 -8.385 1.00 34.44 H new ATOM 0 HG LEU A 95 -3.438 -9.703 -10.119 1.00 13.25 H new ATOM 0 HD11 LEU A 95 -1.288 -10.467 -11.048 1.00 11.42 H new ATOM 0 HD12 LEU A 95 -1.138 -9.993 -9.339 1.00 11.42 H new ATOM 0 HD13 LEU A 95 -1.191 -11.715 -9.784 1.00 11.42 H new ATOM 0 HD21 LEU A 95 -3.405 -11.402 -11.902 1.00 33.40 H new ATOM 0 HD22 LEU A 95 -3.390 -12.687 -10.671 1.00 33.40 H new ATOM 0 HD23 LEU A 95 -4.800 -11.610 -10.817 1.00 33.40 H new ATOM 1494 N LYS A 96 -5.358 -11.353 -5.793 1.00 31.21 N ATOM 1495 CA LYS A 96 -5.985 -12.247 -4.826 1.00 54.34 C ATOM 1496 C LYS A 96 -7.424 -11.822 -4.547 1.00 25.15 C ATOM 1497 O LYS A 96 -8.187 -12.555 -3.918 1.00 74.32 O ATOM 1498 CB LYS A 96 -5.185 -12.264 -3.522 1.00 64.14 C ATOM 1499 CG LYS A 96 -4.193 -13.411 -3.433 1.00 44.22 C ATOM 1500 CD LYS A 96 -3.261 -13.437 -4.633 1.00 4.50 C ATOM 1501 CE LYS A 96 -3.751 -14.404 -5.699 1.00 71.02 C ATOM 1502 NZ LYS A 96 -2.639 -15.216 -6.265 1.00 63.14 N ATOM 0 H LYS A 96 -4.771 -10.629 -5.379 1.00 31.21 H new ATOM 0 HA LYS A 96 -5.996 -13.251 -5.250 1.00 54.34 H new ATOM 0 HB2 LYS A 96 -4.647 -11.321 -3.423 1.00 64.14 H new ATOM 0 HB3 LYS A 96 -5.877 -12.327 -2.682 1.00 64.14 H new ATOM 0 HG2 LYS A 96 -3.607 -13.317 -2.518 1.00 44.22 H new ATOM 0 HG3 LYS A 96 -4.733 -14.356 -3.370 1.00 44.22 H new ATOM 0 HD2 LYS A 96 -3.184 -12.436 -5.057 1.00 4.50 H new ATOM 0 HD3 LYS A 96 -2.260 -13.725 -4.311 1.00 4.50 H new ATOM 0 HE2 LYS A 96 -4.503 -15.067 -5.270 1.00 71.02 H new ATOM 0 HE3 LYS A 96 -4.237 -13.846 -6.499 1.00 71.02 H new ATOM 0 HZ1 LYS A 96 -3.014 -15.863 -6.988 1.00 63.14 H new ATOM 0 HZ2 LYS A 96 -1.934 -14.585 -6.697 1.00 63.14 H new ATOM 0 HZ3 LYS A 96 -2.191 -15.768 -5.506 1.00 63.14 H new ATOM 1516 N LYS A 97 -7.787 -10.634 -5.018 1.00 33.21 N ATOM 1517 CA LYS A 97 -9.134 -10.112 -4.821 1.00 75.43 C ATOM 1518 C LYS A 97 -9.983 -10.310 -6.074 1.00 5.43 C ATOM 1519 O LYS A 97 -10.968 -9.602 -6.286 1.00 71.03 O ATOM 1520 CB LYS A 97 -9.080 -8.627 -4.458 1.00 51.31 C ATOM 1521 CG LYS A 97 -8.528 -8.360 -3.068 1.00 62.15 C ATOM 1522 CD LYS A 97 -9.306 -9.116 -2.005 1.00 12.14 C ATOM 1523 CE LYS A 97 -8.486 -10.254 -1.417 1.00 3.45 C ATOM 1524 NZ LYS A 97 -8.969 -10.644 -0.063 1.00 70.12 N ATOM 0 H LYS A 97 -7.167 -10.014 -5.539 1.00 33.21 H new ATOM 0 HA LYS A 97 -9.594 -10.663 -4.001 1.00 75.43 H new ATOM 0 HB2 LYS A 97 -8.465 -8.105 -5.191 1.00 51.31 H new ATOM 0 HB3 LYS A 97 -10.084 -8.208 -4.528 1.00 51.31 H new ATOM 0 HG2 LYS A 97 -7.479 -8.653 -3.030 1.00 62.15 H new ATOM 0 HG3 LYS A 97 -8.568 -7.291 -2.859 1.00 62.15 H new ATOM 0 HD2 LYS A 97 -9.600 -8.430 -1.211 1.00 12.14 H new ATOM 0 HD3 LYS A 97 -10.224 -9.514 -2.438 1.00 12.14 H new ATOM 0 HE2 LYS A 97 -8.533 -11.117 -2.082 1.00 3.45 H new ATOM 0 HE3 LYS A 97 -7.440 -9.954 -1.357 1.00 3.45 H new ATOM 0 HZ1 LYS A 97 -8.196 -11.098 0.464 1.00 70.12 H new ATOM 0 HZ2 LYS A 97 -9.286 -9.797 0.450 1.00 70.12 H new ATOM 0 HZ3 LYS A 97 -9.763 -11.310 -0.156 1.00 70.12 H new ATOM 1538 N LEU A 98 -9.595 -11.275 -6.899 1.00 64.51 N ATOM 1539 CA LEU A 98 -10.321 -11.567 -8.130 1.00 64.14 C ATOM 1540 C LEU A 98 -10.632 -13.056 -8.239 1.00 64.45 C ATOM 1541 O LEU A 98 -10.298 -13.837 -7.348 1.00 62.32 O ATOM 1542 CB LEU A 98 -9.508 -11.114 -9.344 1.00 43.05 C ATOM 1543 CG LEU A 98 -8.892 -9.717 -9.257 1.00 31.04 C ATOM 1544 CD1 LEU A 98 -7.915 -9.491 -10.400 1.00 21.51 C ATOM 1545 CD2 LEU A 98 -9.980 -8.653 -9.265 1.00 32.22 C ATOM 0 H LEU A 98 -8.782 -11.869 -6.738 1.00 64.51 H new ATOM 0 HA LEU A 98 -11.263 -11.019 -8.106 1.00 64.14 H new ATOM 0 HB2 LEU A 98 -8.706 -11.833 -9.508 1.00 43.05 H new ATOM 0 HB3 LEU A 98 -10.153 -11.151 -10.222 1.00 43.05 H new ATOM 0 HG LEU A 98 -8.344 -9.641 -8.318 1.00 31.04 H new ATOM 0 HD11 LEU A 98 -7.487 -8.492 -10.321 1.00 21.51 H new ATOM 0 HD12 LEU A 98 -7.117 -10.232 -10.349 1.00 21.51 H new ATOM 0 HD13 LEU A 98 -8.439 -9.587 -11.351 1.00 21.51 H new ATOM 0 HD21 LEU A 98 -9.523 -7.665 -9.202 1.00 32.22 H new ATOM 0 HD22 LEU A 98 -10.556 -8.729 -10.187 1.00 32.22 H new ATOM 0 HD23 LEU A 98 -10.641 -8.802 -8.411 1.00 32.22 H new ATOM 1557 N ASP A 99 -11.271 -13.443 -9.338 1.00 44.01 N ATOM 1558 CA ASP A 99 -11.624 -14.839 -9.566 1.00 22.42 C ATOM 1559 C ASP A 99 -11.230 -15.277 -10.973 1.00 63.10 C ATOM 1560 O ASP A 99 -11.904 -14.948 -11.948 1.00 31.40 O ATOM 1561 CB ASP A 99 -13.124 -15.049 -9.354 1.00 61.33 C ATOM 1562 CG ASP A 99 -13.581 -16.431 -9.780 1.00 1.23 C ATOM 1563 OD1 ASP A 99 -13.504 -17.363 -8.952 1.00 2.23 O ATOM 1564 OD2 ASP A 99 -14.016 -16.580 -10.940 1.00 55.24 O ATOM 0 H ASP A 99 -11.555 -12.809 -10.085 1.00 44.01 H new ATOM 0 HA ASP A 99 -11.075 -15.449 -8.849 1.00 22.42 H new ATOM 0 HB2 ASP A 99 -13.364 -14.899 -8.301 1.00 61.33 H new ATOM 0 HB3 ASP A 99 -13.676 -14.297 -9.917 1.00 61.33 H new ATOM 1569 N GLY A 100 -10.132 -16.020 -11.071 1.00 25.54 N ATOM 1570 CA GLY A 100 -9.666 -16.490 -12.362 1.00 41.14 C ATOM 1571 C GLY A 100 -8.630 -15.568 -12.975 1.00 74.24 C ATOM 1572 O GLY A 100 -8.251 -15.734 -14.134 1.00 43.32 O ATOM 0 H GLY A 100 -9.557 -16.305 -10.278 1.00 25.54 H new ATOM 0 HA2 GLY A 100 -9.240 -17.487 -12.250 1.00 41.14 H new ATOM 0 HA3 GLY A 100 -10.514 -16.580 -13.040 1.00 41.14 H new ATOM 1576 N ALA A 101 -8.173 -14.593 -12.197 1.00 34.14 N ATOM 1577 CA ALA A 101 -7.175 -13.642 -12.670 1.00 15.34 C ATOM 1578 C ALA A 101 -5.807 -14.301 -12.801 1.00 21.41 C ATOM 1579 O ALA A 101 -4.939 -14.131 -11.944 1.00 63.22 O ATOM 1580 CB ALA A 101 -7.099 -12.446 -11.731 1.00 75.35 C ATOM 0 H ALA A 101 -8.478 -14.441 -11.236 1.00 34.14 H new ATOM 0 HA ALA A 101 -7.479 -13.296 -13.658 1.00 15.34 H new ATOM 0 HB1 ALA A 101 -6.350 -11.744 -12.096 1.00 75.35 H new ATOM 0 HB2 ALA A 101 -8.070 -11.952 -11.691 1.00 75.35 H new ATOM 0 HB3 ALA A 101 -6.823 -12.784 -10.732 1.00 75.35 H new ATOM 1586 N THR A 102 -5.620 -15.056 -13.879 1.00 61.41 N ATOM 1587 CA THR A 102 -4.358 -15.743 -14.122 1.00 24.45 C ATOM 1588 C THR A 102 -3.206 -14.752 -14.240 1.00 41.31 C ATOM 1589 O THR A 102 -3.362 -13.567 -13.945 1.00 64.14 O ATOM 1590 CB THR A 102 -4.419 -16.597 -15.403 1.00 13.45 C ATOM 1591 OG1 THR A 102 -4.367 -15.751 -16.557 1.00 61.32 O ATOM 1592 CG2 THR A 102 -5.691 -17.431 -15.436 1.00 63.20 C ATOM 0 H THR A 102 -6.327 -15.207 -14.598 1.00 61.41 H new ATOM 0 HA THR A 102 -4.185 -16.397 -13.267 1.00 24.45 H new ATOM 0 HB THR A 102 -3.562 -17.270 -15.407 1.00 13.45 H new ATOM 0 HG1 THR A 102 -4.404 -16.301 -17.368 1.00 61.32 H new ATOM 0 HG21 THR A 102 -5.713 -18.026 -16.349 1.00 63.20 H new ATOM 0 HG22 THR A 102 -5.714 -18.094 -14.571 1.00 63.20 H new ATOM 0 HG23 THR A 102 -6.559 -16.772 -15.412 1.00 63.20 H new ATOM 1600 N ALA A 103 -2.050 -15.244 -14.674 1.00 50.40 N ATOM 1601 CA ALA A 103 -0.873 -14.399 -14.834 1.00 64.31 C ATOM 1602 C ALA A 103 -0.794 -13.829 -16.246 1.00 63.43 C ATOM 1603 O ALA A 103 0.252 -13.337 -16.671 1.00 21.54 O ATOM 1604 CB ALA A 103 0.389 -15.186 -14.509 1.00 12.40 C ATOM 0 H ALA A 103 -1.904 -16.223 -14.921 1.00 50.40 H new ATOM 0 HA ALA A 103 -0.958 -13.564 -14.138 1.00 64.31 H new ATOM 0 HB1 ALA A 103 1.261 -14.543 -14.633 1.00 12.40 H new ATOM 0 HB2 ALA A 103 0.342 -15.540 -13.479 1.00 12.40 H new ATOM 0 HB3 ALA A 103 0.469 -16.039 -15.182 1.00 12.40 H new ATOM 1610 N VAL A 104 -1.906 -13.900 -16.971 1.00 1.51 N ATOM 1611 CA VAL A 104 -1.963 -13.390 -18.336 1.00 24.02 C ATOM 1612 C VAL A 104 -2.250 -11.893 -18.352 1.00 42.11 C ATOM 1613 O VAL A 104 -3.090 -11.420 -19.117 1.00 31.12 O ATOM 1614 CB VAL A 104 -3.040 -14.117 -19.162 1.00 61.41 C ATOM 1615 CG1 VAL A 104 -4.429 -13.779 -18.644 1.00 34.32 C ATOM 1616 CG2 VAL A 104 -2.911 -13.762 -20.636 1.00 25.24 C ATOM 0 H VAL A 104 -2.780 -14.306 -16.636 1.00 1.51 H new ATOM 0 HA VAL A 104 -0.986 -13.574 -18.784 1.00 24.02 H new ATOM 0 HB VAL A 104 -2.890 -15.191 -19.056 1.00 61.41 H new ATOM 0 HG11 VAL A 104 -5.177 -14.302 -19.240 1.00 34.32 H new ATOM 0 HG12 VAL A 104 -4.514 -14.088 -17.602 1.00 34.32 H new ATOM 0 HG13 VAL A 104 -4.593 -12.704 -18.718 1.00 34.32 H new ATOM 0 HG21 VAL A 104 -3.680 -14.285 -21.205 1.00 25.24 H new ATOM 0 HG22 VAL A 104 -3.034 -12.686 -20.763 1.00 25.24 H new ATOM 0 HG23 VAL A 104 -1.927 -14.060 -20.997 1.00 25.24 H new ATOM 1626 N ALA A 105 -1.546 -11.152 -17.503 1.00 43.40 N ATOM 1627 CA ALA A 105 -1.723 -9.707 -17.421 1.00 70.14 C ATOM 1628 C ALA A 105 -0.715 -8.980 -18.304 1.00 43.52 C ATOM 1629 O ALA A 105 0.179 -9.598 -18.883 1.00 25.11 O ATOM 1630 CB ALA A 105 -1.598 -9.241 -15.979 1.00 5.34 C ATOM 0 H ALA A 105 -0.848 -11.528 -16.862 1.00 43.40 H new ATOM 0 HA ALA A 105 -2.723 -9.467 -17.783 1.00 70.14 H new ATOM 0 HB1 ALA A 105 -1.732 -8.160 -15.933 1.00 5.34 H new ATOM 0 HB2 ALA A 105 -2.361 -9.728 -15.372 1.00 5.34 H new ATOM 0 HB3 ALA A 105 -0.611 -9.500 -15.597 1.00 5.34 H new ATOM 1636 N LEU A 106 -0.864 -7.663 -18.404 1.00 75.41 N ATOM 1637 CA LEU A 106 0.033 -6.851 -19.218 1.00 3.34 C ATOM 1638 C LEU A 106 0.388 -5.550 -18.504 1.00 21.44 C ATOM 1639 O LEU A 106 -0.440 -4.971 -17.801 1.00 60.53 O ATOM 1640 CB LEU A 106 -0.610 -6.544 -20.571 1.00 14.31 C ATOM 1641 CG LEU A 106 0.331 -6.536 -21.776 1.00 21.33 C ATOM 1642 CD1 LEU A 106 1.325 -5.390 -21.669 1.00 62.33 C ATOM 1643 CD2 LEU A 106 1.059 -7.867 -21.892 1.00 23.43 C ATOM 0 H LEU A 106 -1.598 -7.135 -17.931 1.00 75.41 H new ATOM 0 HA LEU A 106 0.950 -7.418 -19.379 1.00 3.34 H new ATOM 0 HB2 LEU A 106 -1.394 -7.279 -20.753 1.00 14.31 H new ATOM 0 HB3 LEU A 106 -1.095 -5.570 -20.508 1.00 14.31 H new ATOM 0 HG LEU A 106 -0.264 -6.390 -22.677 1.00 21.33 H new ATOM 0 HD11 LEU A 106 1.987 -5.400 -22.535 1.00 62.33 H new ATOM 0 HD12 LEU A 106 0.786 -4.443 -21.635 1.00 62.33 H new ATOM 0 HD13 LEU A 106 1.916 -5.504 -20.760 1.00 62.33 H new ATOM 0 HD21 LEU A 106 1.724 -7.844 -22.755 1.00 23.43 H new ATOM 0 HD22 LEU A 106 1.643 -8.042 -20.988 1.00 23.43 H new ATOM 0 HD23 LEU A 106 0.332 -8.670 -22.016 1.00 23.43 H new ATOM 1655 N GLU A 107 1.624 -5.097 -18.691 1.00 14.44 N ATOM 1656 CA GLU A 107 2.087 -3.863 -18.065 1.00 35.50 C ATOM 1657 C GLU A 107 2.956 -3.059 -19.026 1.00 44.25 C ATOM 1658 O GLU A 107 4.148 -3.327 -19.174 1.00 44.31 O ATOM 1659 CB GLU A 107 2.872 -4.176 -16.790 1.00 32.25 C ATOM 1660 CG GLU A 107 3.968 -5.210 -16.987 1.00 52.25 C ATOM 1661 CD GLU A 107 5.277 -4.804 -16.339 1.00 11.40 C ATOM 1662 OE1 GLU A 107 5.706 -3.648 -16.540 1.00 34.24 O ATOM 1663 OE2 GLU A 107 5.872 -5.642 -15.630 1.00 63.02 O ATOM 0 H GLU A 107 2.322 -5.565 -19.270 1.00 14.44 H new ATOM 0 HA GLU A 107 1.212 -3.266 -17.807 1.00 35.50 H new ATOM 0 HB2 GLU A 107 3.317 -3.255 -16.412 1.00 32.25 H new ATOM 0 HB3 GLU A 107 2.181 -4.533 -16.026 1.00 32.25 H new ATOM 0 HG2 GLU A 107 3.642 -6.163 -16.571 1.00 52.25 H new ATOM 0 HG3 GLU A 107 4.128 -5.365 -18.054 1.00 52.25 H new ATOM 1670 N ALA A 108 2.350 -2.072 -19.679 1.00 4.15 N ATOM 1671 CA ALA A 108 3.069 -1.227 -20.625 1.00 32.24 C ATOM 1672 C ALA A 108 2.591 0.218 -20.543 1.00 14.53 C ATOM 1673 O ALA A 108 1.393 0.493 -20.632 1.00 24.01 O ATOM 1674 CB ALA A 108 2.903 -1.761 -22.040 1.00 0.42 C ATOM 0 H ALA A 108 1.363 -1.838 -19.570 1.00 4.15 H new ATOM 0 HA ALA A 108 4.127 -1.247 -20.362 1.00 32.24 H new ATOM 0 HB1 ALA A 108 3.445 -1.121 -22.736 1.00 0.42 H new ATOM 0 HB2 ALA A 108 3.300 -2.775 -22.095 1.00 0.42 H new ATOM 0 HB3 ALA A 108 1.845 -1.770 -22.304 1.00 0.42 H new ATOM 1680 N HIS A 109 3.533 1.140 -20.372 1.00 2.04 N ATOM 1681 CA HIS A 109 3.207 2.559 -20.277 1.00 63.44 C ATOM 1682 C HIS A 109 3.429 3.257 -21.616 1.00 20.03 C ATOM 1683 O HIS A 109 4.564 3.543 -21.996 1.00 12.11 O ATOM 1684 CB HIS A 109 4.054 3.227 -19.194 1.00 13.13 C ATOM 1685 CG HIS A 109 5.516 2.921 -19.301 1.00 72.54 C ATOM 1686 ND1 HIS A 109 6.413 3.747 -19.945 1.00 75.23 N ATOM 1687 CD2 HIS A 109 6.237 1.872 -18.841 1.00 34.50 C ATOM 1688 CE1 HIS A 109 7.621 3.218 -19.878 1.00 4.42 C ATOM 1689 NE2 HIS A 109 7.542 2.080 -19.212 1.00 41.23 N ATOM 0 H HIS A 109 4.528 0.930 -20.296 1.00 2.04 H new ATOM 0 HA HIS A 109 2.154 2.648 -20.010 1.00 63.44 H new ATOM 0 HB2 HIS A 109 3.913 4.306 -19.248 1.00 13.13 H new ATOM 0 HB3 HIS A 109 3.695 2.907 -18.216 1.00 13.13 H new ATOM 0 HD2 HIS A 109 5.856 1.028 -18.285 1.00 34.50 H new ATOM 0 HE1 HIS A 109 8.521 3.644 -20.297 1.00 4.42 H new ATOM 0 HE2 HIS A 109 8.323 1.457 -19.007 1.00 41.23 H new ATOM 1697 N GLU A 110 2.338 3.527 -22.325 1.00 15.22 N ATOM 1698 CA GLU A 110 2.414 4.190 -23.621 1.00 44.42 C ATOM 1699 C GLU A 110 1.065 4.788 -24.007 1.00 54.43 C ATOM 1700 O GLU A 110 0.031 4.127 -23.913 1.00 2.15 O ATOM 1701 CB GLU A 110 2.874 3.204 -24.697 1.00 2.30 C ATOM 1702 CG GLU A 110 2.304 1.807 -24.525 1.00 73.53 C ATOM 1703 CD GLU A 110 1.899 1.176 -25.843 1.00 61.44 C ATOM 1704 OE1 GLU A 110 2.477 1.552 -26.884 1.00 52.33 O ATOM 1705 OE2 GLU A 110 1.004 0.304 -25.833 1.00 42.44 O ATOM 0 H GLU A 110 1.391 3.297 -22.024 1.00 15.22 H new ATOM 0 HA GLU A 110 3.141 4.998 -23.544 1.00 44.42 H new ATOM 0 HB2 GLU A 110 2.586 3.587 -25.676 1.00 2.30 H new ATOM 0 HB3 GLU A 110 3.962 3.147 -24.685 1.00 2.30 H new ATOM 0 HG2 GLU A 110 3.045 1.174 -24.036 1.00 73.53 H new ATOM 0 HG3 GLU A 110 1.437 1.851 -23.866 1.00 73.53 H new ATOM 1712 N MET A 111 1.083 6.044 -24.442 1.00 41.13 N ATOM 1713 CA MET A 111 -0.139 6.731 -24.843 1.00 40.54 C ATOM 1714 C MET A 111 -0.828 5.993 -25.987 1.00 4.41 C ATOM 1715 O MET A 111 -2.024 6.165 -26.218 1.00 23.41 O ATOM 1716 CB MET A 111 0.174 8.169 -25.264 1.00 35.04 C ATOM 1717 CG MET A 111 -1.026 8.911 -25.830 1.00 70.25 C ATOM 1718 SD MET A 111 -2.410 8.979 -24.676 1.00 64.23 S ATOM 1719 CE MET A 111 -3.137 10.557 -25.112 1.00 23.31 C ATOM 0 H MET A 111 1.930 6.606 -24.526 1.00 41.13 H new ATOM 0 HA MET A 111 -0.814 6.749 -23.987 1.00 40.54 H new ATOM 0 HB2 MET A 111 0.556 8.716 -24.402 1.00 35.04 H new ATOM 0 HB3 MET A 111 0.968 8.156 -26.011 1.00 35.04 H new ATOM 0 HG2 MET A 111 -0.729 9.926 -26.095 1.00 70.25 H new ATOM 0 HG3 MET A 111 -1.349 8.423 -26.750 1.00 70.25 H new ATOM 0 HE1 MET A 111 -4.007 10.743 -24.483 1.00 23.31 H new ATOM 0 HE2 MET A 111 -2.404 11.349 -24.961 1.00 23.31 H new ATOM 0 HE3 MET A 111 -3.442 10.540 -26.158 1.00 23.31 H new ATOM 1729 N GLY A 112 -0.064 5.172 -26.700 1.00 65.44 N ATOM 1730 CA GLY A 112 -0.618 4.420 -27.811 1.00 40.45 C ATOM 1731 C GLY A 112 -1.468 3.252 -27.354 1.00 75.04 C ATOM 1732 O GLY A 112 -2.205 2.664 -28.146 1.00 54.55 O ATOM 0 H GLY A 112 0.929 5.014 -26.528 1.00 65.44 H new ATOM 0 HA2 GLY A 112 -1.221 5.084 -28.430 1.00 40.45 H new ATOM 0 HA3 GLY A 112 0.194 4.051 -28.437 1.00 40.45 H new ATOM 1736 N ASP A 113 -1.366 2.913 -26.074 1.00 62.21 N ATOM 1737 CA ASP A 113 -2.131 1.806 -25.513 1.00 35.05 C ATOM 1738 C ASP A 113 -3.618 2.146 -25.458 1.00 24.14 C ATOM 1739 O ASP A 113 -4.472 1.272 -25.612 1.00 65.25 O ATOM 1740 CB ASP A 113 -1.622 1.464 -24.112 1.00 4.03 C ATOM 1741 CG ASP A 113 -1.556 -0.031 -23.868 1.00 54.12 C ATOM 1742 OD1 ASP A 113 -2.607 -0.696 -23.979 1.00 13.03 O ATOM 1743 OD2 ASP A 113 -0.455 -0.536 -23.566 1.00 45.32 O ATOM 0 H ASP A 113 -0.761 3.389 -25.405 1.00 62.21 H new ATOM 0 HA ASP A 113 -1.998 0.940 -26.161 1.00 35.05 H new ATOM 0 HB2 ASP A 113 -0.631 1.896 -23.973 1.00 4.03 H new ATOM 0 HB3 ASP A 113 -2.276 1.922 -23.369 1.00 4.03 H new ATOM 1748 N LEU A 114 -3.920 3.420 -25.235 1.00 42.21 N ATOM 1749 CA LEU A 114 -5.303 3.876 -25.158 1.00 54.34 C ATOM 1750 C LEU A 114 -5.669 4.713 -26.380 1.00 75.22 C ATOM 1751 O LEU A 114 -6.723 5.347 -26.417 1.00 51.51 O ATOM 1752 CB LEU A 114 -5.522 4.692 -23.883 1.00 51.43 C ATOM 1753 CG LEU A 114 -4.399 5.658 -23.503 1.00 63.51 C ATOM 1754 CD1 LEU A 114 -4.957 6.860 -22.758 1.00 53.14 C ATOM 1755 CD2 LEU A 114 -3.348 4.948 -22.662 1.00 22.12 C ATOM 0 H LEU A 114 -3.226 4.156 -25.104 1.00 42.21 H new ATOM 0 HA LEU A 114 -5.948 2.998 -25.135 1.00 54.34 H new ATOM 0 HB2 LEU A 114 -6.443 5.264 -23.995 1.00 51.43 H new ATOM 0 HB3 LEU A 114 -5.675 4.000 -23.055 1.00 51.43 H new ATOM 0 HG LEU A 114 -3.925 6.013 -24.419 1.00 63.51 H new ATOM 0 HD11 LEU A 114 -4.143 7.536 -22.496 1.00 53.14 H new ATOM 0 HD12 LEU A 114 -5.672 7.382 -23.394 1.00 53.14 H new ATOM 0 HD13 LEU A 114 -5.457 6.525 -21.849 1.00 53.14 H new ATOM 0 HD21 LEU A 114 -2.556 5.650 -22.400 1.00 22.12 H new ATOM 0 HD22 LEU A 114 -3.809 4.565 -21.751 1.00 22.12 H new ATOM 0 HD23 LEU A 114 -2.925 4.120 -23.231 1.00 22.12 H new