USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 526 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 33 MET CE :methyl 167:sc= -1.2 (180deg=-1.66) USER MOD Set 1.2: A 48 MET CE :methyl 164:sc= -0.474 (180deg=-2.01) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 5 SER OG : rot 180:sc= -0.043 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.905 K(o=-0.91,f=-0.19) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 73:sc= 0.0284 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 34 THR OG1 : rot 98:sc= 1.22 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0432 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 61 ASN : amide:sc= -0.641 K(o=-0.64,f=-3.6!) USER MOD Single : A 62 TYR OH : rot 180:sc= -1 USER MOD Single : A 67 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.85) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -86:sc= 0.342 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.288 -9.162 1.960 1.00 24.30 N ATOM 2 CA MET A 1 1.423 -9.515 3.368 1.00 24.45 C ATOM 3 C MET A 1 2.705 -10.307 3.610 1.00 33.11 C ATOM 4 O MET A 1 3.568 -9.889 4.382 1.00 15.13 O ATOM 5 CB MET A 1 0.213 -10.329 3.831 1.00 52.32 C ATOM 6 CG MET A 1 0.354 -10.882 5.240 1.00 42.53 C ATOM 7 SD MET A 1 -1.235 -11.282 5.991 1.00 0.15 S ATOM 8 CE MET A 1 -1.640 -12.803 5.137 1.00 54.35 C ATOM 0 H1 MET A 1 0.409 -8.624 1.820 1.00 24.30 H new ATOM 0 H2 MET A 1 2.100 -8.581 1.668 1.00 24.30 H new ATOM 0 H3 MET A 1 1.259 -10.029 1.386 1.00 24.30 H new ATOM 0 HA MET A 1 1.473 -8.591 3.944 1.00 24.45 H new ATOM 0 HB2 MET A 1 -0.676 -9.701 3.784 1.00 52.32 H new ATOM 0 HB3 MET A 1 0.056 -11.156 3.139 1.00 52.32 H new ATOM 0 HG2 MET A 1 0.975 -11.777 5.214 1.00 42.53 H new ATOM 0 HG3 MET A 1 0.872 -10.152 5.862 1.00 42.53 H new ATOM 0 HE1 MET A 1 -2.600 -13.176 5.494 1.00 54.35 H new ATOM 0 HE2 MET A 1 -1.700 -12.614 4.065 1.00 54.35 H new ATOM 0 HE3 MET A 1 -0.867 -13.546 5.331 1.00 54.35 H new ATOM 18 N ASP A 2 2.822 -11.451 2.946 1.00 72.43 N ATOM 19 CA ASP A 2 3.998 -12.301 3.088 1.00 65.11 C ATOM 20 C ASP A 2 5.164 -11.757 2.267 1.00 32.41 C ATOM 21 O ASP A 2 6.202 -11.384 2.814 1.00 41.31 O ATOM 22 CB ASP A 2 3.676 -13.732 2.654 1.00 42.25 C ATOM 23 CG ASP A 2 3.845 -14.731 3.781 1.00 15.02 C ATOM 24 OD1 ASP A 2 3.066 -14.662 4.755 1.00 22.42 O ATOM 25 OD2 ASP A 2 4.755 -15.581 3.690 1.00 21.13 O ATOM 0 H ASP A 2 2.116 -11.811 2.304 1.00 72.43 H new ATOM 0 HA ASP A 2 4.287 -12.305 4.139 1.00 65.11 H new ATOM 0 HB2 ASP A 2 2.651 -13.775 2.285 1.00 42.25 H new ATOM 0 HB3 ASP A 2 4.325 -14.012 1.824 1.00 42.25 H new ATOM 30 N THR A 3 4.986 -11.717 0.950 1.00 14.23 N ATOM 31 CA THR A 3 6.022 -11.221 0.054 1.00 63.43 C ATOM 32 C THR A 3 6.431 -9.799 0.418 1.00 13.32 C ATOM 33 O THR A 3 5.624 -8.872 0.340 1.00 41.10 O ATOM 34 CB THR A 3 5.556 -11.249 -1.414 1.00 70.41 C ATOM 35 OG1 THR A 3 4.448 -12.145 -1.559 1.00 52.41 O ATOM 36 CG2 THR A 3 6.688 -11.682 -2.333 1.00 70.44 C ATOM 0 H THR A 3 4.133 -12.022 0.481 1.00 14.23 H new ATOM 0 HA THR A 3 6.881 -11.883 0.168 1.00 63.43 H new ATOM 0 HB THR A 3 5.248 -10.242 -1.694 1.00 70.41 H new ATOM 0 HG1 THR A 3 4.156 -12.156 -2.495 1.00 52.41 H new ATOM 0 HG21 THR A 3 6.335 -11.694 -3.364 1.00 70.44 H new ATOM 0 HG22 THR A 3 7.519 -10.982 -2.242 1.00 70.44 H new ATOM 0 HG23 THR A 3 7.023 -12.681 -2.052 1.00 70.44 H new ATOM 44 N ASP A 4 7.687 -9.633 0.816 1.00 42.50 N ATOM 45 CA ASP A 4 8.203 -8.321 1.191 1.00 23.21 C ATOM 46 C ASP A 4 8.688 -7.556 -0.037 1.00 34.23 C ATOM 47 O ASP A 4 8.399 -6.370 -0.195 1.00 71.21 O ATOM 48 CB ASP A 4 9.344 -8.468 2.199 1.00 45.21 C ATOM 49 CG ASP A 4 9.581 -7.199 2.994 1.00 31.14 C ATOM 50 OD1 ASP A 4 8.678 -6.337 3.017 1.00 1.15 O ATOM 51 OD2 ASP A 4 10.669 -7.068 3.593 1.00 21.14 O ATOM 0 H ASP A 4 8.367 -10.390 0.887 1.00 42.50 H new ATOM 0 HA ASP A 4 7.392 -7.757 1.651 1.00 23.21 H new ATOM 0 HB2 ASP A 4 9.117 -9.285 2.884 1.00 45.21 H new ATOM 0 HB3 ASP A 4 10.258 -8.739 1.671 1.00 45.21 H new ATOM 56 N SER A 5 9.426 -8.243 -0.902 1.00 62.13 N ATOM 57 CA SER A 5 9.955 -7.627 -2.114 1.00 20.23 C ATOM 58 C SER A 5 10.136 -8.666 -3.217 1.00 3.35 C ATOM 59 O SER A 5 9.437 -8.639 -4.229 1.00 21.43 O ATOM 60 CB SER A 5 11.290 -6.940 -1.821 1.00 11.54 C ATOM 61 OG SER A 5 11.600 -6.995 -0.439 1.00 15.21 O ATOM 0 H SER A 5 9.672 -9.226 -0.787 1.00 62.13 H new ATOM 0 HA SER A 5 9.238 -6.881 -2.456 1.00 20.23 H new ATOM 0 HB2 SER A 5 12.083 -7.420 -2.394 1.00 11.54 H new ATOM 0 HB3 SER A 5 11.247 -5.900 -2.146 1.00 11.54 H new ATOM 0 HG SER A 5 12.458 -6.550 -0.278 1.00 15.21 H new ATOM 67 N GLU A 6 11.080 -9.579 -3.011 1.00 44.15 N ATOM 68 CA GLU A 6 11.355 -10.626 -3.989 1.00 14.13 C ATOM 69 C GLU A 6 11.939 -11.862 -3.312 1.00 24.22 C ATOM 70 O GLU A 6 12.595 -12.682 -3.954 1.00 3.40 O ATOM 71 CB GLU A 6 12.319 -10.114 -5.061 1.00 13.12 C ATOM 72 CG GLU A 6 13.521 -9.377 -4.496 1.00 3.30 C ATOM 73 CD GLU A 6 14.614 -9.167 -5.526 1.00 70.43 C ATOM 74 OE1 GLU A 6 14.675 -9.955 -6.494 1.00 12.31 O ATOM 75 OE2 GLU A 6 15.408 -8.217 -5.365 1.00 71.23 O ATOM 0 H GLU A 6 11.666 -9.615 -2.177 1.00 44.15 H new ATOM 0 HA GLU A 6 10.413 -10.903 -4.462 1.00 14.13 H new ATOM 0 HB2 GLU A 6 12.668 -10.957 -5.657 1.00 13.12 H new ATOM 0 HB3 GLU A 6 11.779 -9.449 -5.735 1.00 13.12 H new ATOM 0 HG2 GLU A 6 13.200 -8.410 -4.110 1.00 3.30 H new ATOM 0 HG3 GLU A 6 13.924 -9.939 -3.654 1.00 3.30 H new ATOM 82 N GLU A 7 11.697 -11.988 -2.011 1.00 35.12 N ATOM 83 CA GLU A 7 12.200 -13.123 -1.247 1.00 23.32 C ATOM 84 C GLU A 7 11.629 -14.434 -1.779 1.00 75.21 C ATOM 85 O GLU A 7 12.342 -15.430 -1.901 1.00 14.42 O ATOM 86 CB GLU A 7 11.850 -12.966 0.234 1.00 12.53 C ATOM 87 CG GLU A 7 12.514 -11.768 0.893 1.00 61.03 C ATOM 88 CD GLU A 7 13.746 -12.150 1.690 1.00 43.42 C ATOM 89 OE1 GLU A 7 13.729 -13.221 2.332 1.00 54.14 O ATOM 90 OE2 GLU A 7 14.728 -11.378 1.672 1.00 14.33 O ATOM 0 H GLU A 7 11.156 -11.318 -1.464 1.00 35.12 H new ATOM 0 HA GLU A 7 13.284 -13.148 -1.356 1.00 23.32 H new ATOM 0 HB2 GLU A 7 10.769 -12.873 0.335 1.00 12.53 H new ATOM 0 HB3 GLU A 7 12.143 -13.871 0.766 1.00 12.53 H new ATOM 0 HG2 GLU A 7 12.791 -11.044 0.127 1.00 61.03 H new ATOM 0 HG3 GLU A 7 11.798 -11.277 1.551 1.00 61.03 H new ATOM 97 N GLU A 8 10.337 -14.425 -2.094 1.00 31.22 N ATOM 98 CA GLU A 8 9.669 -15.614 -2.612 1.00 3.35 C ATOM 99 C GLU A 8 9.914 -15.766 -4.110 1.00 61.00 C ATOM 100 O GLU A 8 9.412 -16.698 -4.740 1.00 5.41 O ATOM 101 CB GLU A 8 8.166 -15.543 -2.334 1.00 22.12 C ATOM 102 CG GLU A 8 7.585 -16.840 -1.795 1.00 42.32 C ATOM 103 CD GLU A 8 6.072 -16.881 -1.882 1.00 70.42 C ATOM 104 OE1 GLU A 8 5.427 -15.886 -1.493 1.00 0.31 O ATOM 105 OE2 GLU A 8 5.533 -17.911 -2.340 1.00 51.22 O ATOM 0 H GLU A 8 9.733 -13.609 -2.000 1.00 31.22 H new ATOM 0 HA GLU A 8 10.084 -16.484 -2.104 1.00 3.35 H new ATOM 0 HB2 GLU A 8 7.975 -14.744 -1.618 1.00 22.12 H new ATOM 0 HB3 GLU A 8 7.647 -15.277 -3.255 1.00 22.12 H new ATOM 0 HG2 GLU A 8 8.000 -17.679 -2.353 1.00 42.32 H new ATOM 0 HG3 GLU A 8 7.889 -16.966 -0.756 1.00 42.32 H new ATOM 112 N ILE A 9 10.688 -14.844 -4.674 1.00 34.43 N ATOM 113 CA ILE A 9 10.999 -14.876 -6.097 1.00 64.22 C ATOM 114 C ILE A 9 12.279 -15.661 -6.362 1.00 65.52 C ATOM 115 O ILE A 9 12.337 -16.483 -7.277 1.00 25.41 O ATOM 116 CB ILE A 9 11.154 -13.456 -6.672 1.00 11.44 C ATOM 117 CG1 ILE A 9 9.864 -12.657 -6.470 1.00 21.40 C ATOM 118 CG2 ILE A 9 11.520 -13.518 -8.147 1.00 54.31 C ATOM 119 CD1 ILE A 9 8.680 -13.222 -7.224 1.00 2.15 C ATOM 0 H ILE A 9 11.111 -14.066 -4.167 1.00 34.43 H new ATOM 0 HA ILE A 9 10.163 -15.370 -6.591 1.00 64.22 H new ATOM 0 HB ILE A 9 11.960 -12.950 -6.140 1.00 11.44 H new ATOM 0 HG12 ILE A 9 9.627 -12.628 -5.406 1.00 21.40 H new ATOM 0 HG13 ILE A 9 10.030 -11.628 -6.788 1.00 21.40 H new ATOM 0 HG21 ILE A 9 11.626 -12.506 -8.538 1.00 54.31 H new ATOM 0 HG22 ILE A 9 12.462 -14.054 -8.266 1.00 54.31 H new ATOM 0 HG23 ILE A 9 10.735 -14.039 -8.695 1.00 54.31 H new ATOM 0 HD11 ILE A 9 7.801 -12.606 -7.035 1.00 2.15 H new ATOM 0 HD12 ILE A 9 8.897 -13.226 -8.292 1.00 2.15 H new ATOM 0 HD13 ILE A 9 8.488 -14.241 -6.889 1.00 2.15 H new ATOM 131 N ARG A 10 13.303 -15.404 -5.555 1.00 0.14 N ATOM 132 CA ARG A 10 14.583 -16.087 -5.701 1.00 74.12 C ATOM 133 C ARG A 10 14.456 -17.563 -5.336 1.00 32.13 C ATOM 134 O ARG A 10 15.168 -18.409 -5.876 1.00 11.12 O ATOM 135 CB ARG A 10 15.644 -15.422 -4.822 1.00 75.30 C ATOM 136 CG ARG A 10 15.216 -15.254 -3.373 1.00 55.54 C ATOM 137 CD ARG A 10 16.416 -15.151 -2.446 1.00 44.31 C ATOM 138 NE ARG A 10 16.904 -13.779 -2.332 1.00 12.22 N ATOM 139 CZ ARG A 10 17.734 -13.371 -1.379 1.00 5.02 C ATOM 140 NH1 ARG A 10 18.168 -14.226 -0.463 1.00 3.44 N ATOM 141 NH2 ARG A 10 18.133 -12.106 -1.341 1.00 43.02 N ATOM 0 H ARG A 10 13.271 -14.727 -4.793 1.00 0.14 H new ATOM 0 HA ARG A 10 14.889 -16.014 -6.745 1.00 74.12 H new ATOM 0 HB2 ARG A 10 16.557 -16.017 -4.856 1.00 75.30 H new ATOM 0 HB3 ARG A 10 15.886 -14.443 -5.236 1.00 75.30 H new ATOM 0 HG2 ARG A 10 14.602 -14.359 -3.275 1.00 55.54 H new ATOM 0 HG3 ARG A 10 14.596 -16.100 -3.075 1.00 55.54 H new ATOM 0 HD2 ARG A 10 16.144 -15.522 -1.458 1.00 44.31 H new ATOM 0 HD3 ARG A 10 17.217 -15.791 -2.817 1.00 44.31 H new ATOM 0 HE ARG A 10 16.590 -13.097 -3.022 1.00 12.22 H new ATOM 0 HH11 ARG A 10 17.864 -15.199 -0.489 1.00 3.44 H new ATOM 0 HH12 ARG A 10 18.805 -13.910 0.268 1.00 3.44 H new ATOM 0 HH21 ARG A 10 17.802 -11.446 -2.044 1.00 43.02 H new ATOM 0 HH22 ARG A 10 18.771 -11.794 -0.608 1.00 43.02 H new ATOM 155 N GLU A 11 13.545 -17.864 -4.415 1.00 50.52 N ATOM 156 CA GLU A 11 13.327 -19.237 -3.977 1.00 73.12 C ATOM 157 C GLU A 11 12.430 -19.985 -4.959 1.00 61.45 C ATOM 158 O GLU A 11 12.497 -21.209 -5.068 1.00 74.43 O ATOM 159 CB GLU A 11 12.701 -19.257 -2.581 1.00 72.51 C ATOM 160 CG GLU A 11 13.587 -18.648 -1.508 1.00 10.21 C ATOM 161 CD GLU A 11 13.841 -19.597 -0.353 1.00 11.54 C ATOM 162 OE1 GLU A 11 12.987 -19.666 0.556 1.00 74.22 O ATOM 163 OE2 GLU A 11 14.893 -20.269 -0.357 1.00 2.25 O ATOM 0 H GLU A 11 12.947 -17.175 -3.958 1.00 50.52 H new ATOM 0 HA GLU A 11 14.294 -19.738 -3.941 1.00 73.12 H new ATOM 0 HB2 GLU A 11 11.755 -18.717 -2.609 1.00 72.51 H new ATOM 0 HB3 GLU A 11 12.472 -20.287 -2.309 1.00 72.51 H new ATOM 0 HG2 GLU A 11 14.540 -18.357 -1.951 1.00 10.21 H new ATOM 0 HG3 GLU A 11 13.120 -17.738 -1.130 1.00 10.21 H new ATOM 170 N ALA A 12 11.592 -19.240 -5.672 1.00 34.11 N ATOM 171 CA ALA A 12 10.683 -19.832 -6.646 1.00 14.51 C ATOM 172 C ALA A 12 11.443 -20.356 -7.859 1.00 24.21 C ATOM 173 O ALA A 12 11.030 -21.329 -8.490 1.00 63.12 O ATOM 174 CB ALA A 12 9.636 -18.815 -7.076 1.00 52.33 C ATOM 0 H ALA A 12 11.524 -18.225 -5.594 1.00 34.11 H new ATOM 0 HA ALA A 12 10.182 -20.676 -6.172 1.00 14.51 H new ATOM 0 HB1 ALA A 12 8.964 -19.270 -7.803 1.00 52.33 H new ATOM 0 HB2 ALA A 12 9.064 -18.492 -6.206 1.00 52.33 H new ATOM 0 HB3 ALA A 12 10.129 -17.954 -7.527 1.00 52.33 H new ATOM 180 N PHE A 13 12.557 -19.705 -8.180 1.00 74.42 N ATOM 181 CA PHE A 13 13.374 -20.106 -9.319 1.00 44.43 C ATOM 182 C PHE A 13 14.350 -21.212 -8.927 1.00 14.32 C ATOM 183 O PHE A 13 14.879 -21.920 -9.783 1.00 75.24 O ATOM 184 CB PHE A 13 14.144 -18.903 -9.869 1.00 62.01 C ATOM 185 CG PHE A 13 13.538 -18.322 -11.114 1.00 50.52 C ATOM 186 CD1 PHE A 13 12.367 -17.583 -11.051 1.00 22.02 C ATOM 187 CD2 PHE A 13 14.139 -18.513 -12.348 1.00 11.22 C ATOM 188 CE1 PHE A 13 11.807 -17.048 -12.195 1.00 50.42 C ATOM 189 CE2 PHE A 13 13.583 -17.979 -13.496 1.00 25.43 C ATOM 190 CZ PHE A 13 12.416 -17.245 -13.419 1.00 4.11 C ATOM 0 H PHE A 13 12.914 -18.898 -7.668 1.00 74.42 H new ATOM 0 HA PHE A 13 12.710 -20.490 -10.093 1.00 44.43 H new ATOM 0 HB2 PHE A 13 14.190 -18.130 -9.102 1.00 62.01 H new ATOM 0 HB3 PHE A 13 15.170 -19.204 -10.080 1.00 62.01 H new ATOM 0 HD1 PHE A 13 11.887 -17.424 -10.097 1.00 22.02 H new ATOM 0 HD2 PHE A 13 15.052 -19.086 -12.414 1.00 11.22 H new ATOM 0 HE1 PHE A 13 10.893 -16.476 -12.132 1.00 50.42 H new ATOM 0 HE2 PHE A 13 14.061 -18.136 -14.452 1.00 25.43 H new ATOM 0 HZ PHE A 13 11.980 -16.826 -14.314 1.00 4.11 H new ATOM 200 N ARG A 14 14.583 -21.353 -7.626 1.00 54.30 N ATOM 201 CA ARG A 14 15.495 -22.371 -7.119 1.00 41.43 C ATOM 202 C ARG A 14 14.796 -23.722 -7.010 1.00 75.24 C ATOM 203 O ARG A 14 15.396 -24.766 -7.266 1.00 32.21 O ATOM 204 CB ARG A 14 16.046 -21.958 -5.753 1.00 14.31 C ATOM 205 CG ARG A 14 17.271 -21.062 -5.835 1.00 70.33 C ATOM 206 CD ARG A 14 18.198 -21.277 -4.649 1.00 44.14 C ATOM 207 NE ARG A 14 17.791 -20.492 -3.487 1.00 45.22 N ATOM 208 CZ ARG A 14 17.979 -19.181 -3.384 1.00 2.15 C ATOM 209 NH1 ARG A 14 18.564 -18.512 -4.367 1.00 40.35 N ATOM 210 NH2 ARG A 14 17.581 -18.536 -2.294 1.00 61.50 N ATOM 0 H ARG A 14 14.153 -20.775 -6.904 1.00 54.30 H new ATOM 0 HA ARG A 14 16.322 -22.465 -7.823 1.00 41.43 H new ATOM 0 HB2 ARG A 14 15.264 -21.440 -5.197 1.00 14.31 H new ATOM 0 HB3 ARG A 14 16.299 -22.854 -5.187 1.00 14.31 H new ATOM 0 HG2 ARG A 14 17.810 -21.264 -6.761 1.00 70.33 H new ATOM 0 HG3 ARG A 14 16.958 -20.018 -5.869 1.00 70.33 H new ATOM 0 HD2 ARG A 14 18.210 -22.335 -4.386 1.00 44.14 H new ATOM 0 HD3 ARG A 14 19.216 -21.007 -4.931 1.00 44.14 H new ATOM 0 HE ARG A 14 17.338 -20.977 -2.712 1.00 45.22 H new ATOM 0 HH11 ARG A 14 18.872 -19.004 -5.206 1.00 40.35 H new ATOM 0 HH12 ARG A 14 18.707 -17.505 -4.285 1.00 40.35 H new ATOM 0 HH21 ARG A 14 17.131 -19.047 -1.535 1.00 61.50 H new ATOM 0 HH22 ARG A 14 17.726 -17.529 -2.216 1.00 61.50 H new ATOM 224 N VAL A 15 13.522 -23.695 -6.629 1.00 4.11 N ATOM 225 CA VAL A 15 12.741 -24.917 -6.487 1.00 34.34 C ATOM 226 C VAL A 15 12.711 -25.706 -7.791 1.00 44.10 C ATOM 227 O VAL A 15 12.490 -26.917 -7.792 1.00 72.00 O ATOM 228 CB VAL A 15 11.295 -24.612 -6.052 1.00 11.51 C ATOM 229 CG1 VAL A 15 10.484 -25.895 -5.954 1.00 10.43 C ATOM 230 CG2 VAL A 15 11.284 -23.862 -4.728 1.00 44.33 C ATOM 0 H VAL A 15 13.010 -22.840 -6.413 1.00 4.11 H new ATOM 0 HA VAL A 15 13.227 -25.514 -5.715 1.00 34.34 H new ATOM 0 HB VAL A 15 10.834 -23.976 -6.808 1.00 11.51 H new ATOM 0 HG11 VAL A 15 9.466 -25.659 -5.645 1.00 10.43 H new ATOM 0 HG12 VAL A 15 10.464 -26.388 -6.926 1.00 10.43 H new ATOM 0 HG13 VAL A 15 10.941 -26.559 -5.220 1.00 10.43 H new ATOM 0 HG21 VAL A 15 10.255 -23.655 -4.436 1.00 44.33 H new ATOM 0 HG22 VAL A 15 11.763 -24.470 -3.961 1.00 44.33 H new ATOM 0 HG23 VAL A 15 11.826 -22.923 -4.837 1.00 44.33 H new ATOM 240 N PHE A 16 12.937 -25.011 -8.901 1.00 60.22 N ATOM 241 CA PHE A 16 12.936 -25.646 -10.214 1.00 22.31 C ATOM 242 C PHE A 16 14.300 -26.256 -10.524 1.00 44.41 C ATOM 243 O PHE A 16 14.393 -27.389 -10.996 1.00 22.03 O ATOM 244 CB PHE A 16 12.561 -24.631 -11.295 1.00 50.30 C ATOM 245 CG PHE A 16 11.136 -24.164 -11.210 1.00 0.51 C ATOM 246 CD1 PHE A 16 10.091 -25.071 -11.276 1.00 14.44 C ATOM 247 CD2 PHE A 16 10.842 -22.818 -11.064 1.00 11.53 C ATOM 248 CE1 PHE A 16 8.779 -24.643 -11.198 1.00 74.13 C ATOM 249 CE2 PHE A 16 9.532 -22.384 -10.985 1.00 73.14 C ATOM 250 CZ PHE A 16 8.499 -23.298 -11.052 1.00 32.53 C ATOM 0 H PHE A 16 13.123 -24.008 -8.918 1.00 60.22 H new ATOM 0 HA PHE A 16 12.194 -26.445 -10.203 1.00 22.31 H new ATOM 0 HB2 PHE A 16 13.223 -23.768 -11.218 1.00 50.30 H new ATOM 0 HB3 PHE A 16 12.731 -25.076 -12.275 1.00 50.30 H new ATOM 0 HD1 PHE A 16 10.304 -26.124 -11.390 1.00 14.44 H new ATOM 0 HD2 PHE A 16 11.646 -22.099 -11.011 1.00 11.53 H new ATOM 0 HE1 PHE A 16 7.973 -25.360 -11.251 1.00 74.13 H new ATOM 0 HE2 PHE A 16 9.317 -21.332 -10.871 1.00 73.14 H new ATOM 0 HZ PHE A 16 7.474 -22.962 -10.990 1.00 32.53 H new ATOM 260 N ASP A 17 15.356 -25.495 -10.256 1.00 51.24 N ATOM 261 CA ASP A 17 16.716 -25.959 -10.506 1.00 52.40 C ATOM 262 C ASP A 17 17.084 -27.097 -9.559 1.00 41.24 C ATOM 263 O ASP A 17 16.909 -26.990 -8.345 1.00 62.53 O ATOM 264 CB ASP A 17 17.708 -24.805 -10.347 1.00 70.53 C ATOM 265 CG ASP A 17 17.439 -23.672 -11.318 1.00 34.33 C ATOM 266 OD1 ASP A 17 17.107 -23.959 -12.487 1.00 33.13 O ATOM 267 OD2 ASP A 17 17.561 -22.499 -10.908 1.00 53.55 O ATOM 0 H ASP A 17 15.296 -24.554 -9.866 1.00 51.24 H new ATOM 0 HA ASP A 17 16.765 -26.332 -11.529 1.00 52.40 H new ATOM 0 HB2 ASP A 17 17.658 -24.425 -9.327 1.00 70.53 H new ATOM 0 HB3 ASP A 17 18.721 -25.177 -10.499 1.00 70.53 H new ATOM 272 N LYS A 18 17.594 -28.187 -10.123 1.00 10.30 N ATOM 273 CA LYS A 18 17.988 -29.346 -9.331 1.00 15.34 C ATOM 274 C LYS A 18 18.921 -28.937 -8.196 1.00 21.24 C ATOM 275 O LYS A 18 18.888 -29.521 -7.112 1.00 4.50 O ATOM 276 CB LYS A 18 18.672 -30.388 -10.218 1.00 40.54 C ATOM 277 CG LYS A 18 18.964 -31.697 -9.506 1.00 14.34 C ATOM 278 CD LYS A 18 19.206 -32.827 -10.492 1.00 52.21 C ATOM 279 CE LYS A 18 20.302 -33.763 -10.009 1.00 24.35 C ATOM 280 NZ LYS A 18 21.159 -34.240 -11.129 1.00 42.35 N ATOM 0 H LYS A 18 17.744 -28.292 -11.126 1.00 10.30 H new ATOM 0 HA LYS A 18 17.088 -29.782 -8.898 1.00 15.34 H new ATOM 0 HB2 LYS A 18 18.039 -30.588 -11.083 1.00 40.54 H new ATOM 0 HB3 LYS A 18 19.607 -29.974 -10.596 1.00 40.54 H new ATOM 0 HG2 LYS A 18 19.839 -31.577 -8.867 1.00 14.34 H new ATOM 0 HG3 LYS A 18 18.127 -31.953 -8.856 1.00 14.34 H new ATOM 0 HD2 LYS A 18 18.283 -33.389 -10.636 1.00 52.21 H new ATOM 0 HD3 LYS A 18 19.481 -32.412 -11.462 1.00 52.21 H new ATOM 0 HE2 LYS A 18 20.920 -33.249 -9.273 1.00 24.35 H new ATOM 0 HE3 LYS A 18 19.853 -34.619 -9.506 1.00 24.35 H new ATOM 0 HZ1 LYS A 18 21.894 -34.876 -10.758 1.00 42.35 H new ATOM 0 HZ2 LYS A 18 20.574 -34.753 -11.819 1.00 42.35 H new ATOM 0 HZ3 LYS A 18 21.609 -33.425 -11.593 1.00 42.35 H new ATOM 294 N ASP A 19 19.751 -27.932 -8.451 1.00 52.31 N ATOM 295 CA ASP A 19 20.692 -27.444 -7.450 1.00 12.43 C ATOM 296 C ASP A 19 20.423 -25.979 -7.120 1.00 13.34 C ATOM 297 O ASP A 19 19.830 -25.251 -7.915 1.00 63.24 O ATOM 298 CB ASP A 19 22.129 -27.612 -7.944 1.00 42.05 C ATOM 299 CG ASP A 19 23.070 -28.065 -6.846 1.00 4.03 C ATOM 300 OD1 ASP A 19 23.009 -27.491 -5.738 1.00 24.32 O ATOM 301 OD2 ASP A 19 23.867 -28.994 -7.093 1.00 44.33 O ATOM 0 H ASP A 19 19.791 -27.439 -9.343 1.00 52.31 H new ATOM 0 HA ASP A 19 20.557 -28.033 -6.543 1.00 12.43 H new ATOM 0 HB2 ASP A 19 22.148 -28.338 -8.757 1.00 42.05 H new ATOM 0 HB3 ASP A 19 22.482 -26.666 -8.353 1.00 42.05 H new ATOM 306 N GLY A 20 20.862 -25.553 -5.939 1.00 14.11 N ATOM 307 CA GLY A 20 20.658 -24.177 -5.524 1.00 34.33 C ATOM 308 C GLY A 20 21.264 -23.183 -6.494 1.00 12.11 C ATOM 309 O GLY A 20 22.440 -23.283 -6.841 1.00 53.52 O ATOM 0 H GLY A 20 21.355 -26.136 -5.263 1.00 14.11 H new ATOM 0 HA2 GLY A 20 19.589 -23.984 -5.431 1.00 34.33 H new ATOM 0 HA3 GLY A 20 21.096 -24.030 -4.537 1.00 34.33 H new ATOM 313 N ASN A 21 20.458 -22.222 -6.934 1.00 43.40 N ATOM 314 CA ASN A 21 20.922 -21.206 -7.872 1.00 50.03 C ATOM 315 C ASN A 21 21.525 -21.850 -9.117 1.00 25.02 C ATOM 316 O ASN A 21 22.724 -22.125 -9.167 1.00 55.03 O ATOM 317 CB ASN A 21 21.955 -20.297 -7.203 1.00 12.10 C ATOM 318 CG ASN A 21 22.671 -19.404 -8.198 1.00 74.32 C ATOM 319 OD1 ASN A 21 23.894 -19.274 -8.164 1.00 63.10 O ATOM 320 ND2 ASN A 21 21.908 -18.784 -9.091 1.00 43.13 N ATOM 0 H ASN A 21 19.481 -22.126 -6.656 1.00 43.40 H new ATOM 0 HA ASN A 21 20.063 -20.607 -8.174 1.00 50.03 H new ATOM 0 HB2 ASN A 21 21.460 -19.678 -6.455 1.00 12.10 H new ATOM 0 HB3 ASN A 21 22.687 -20.910 -6.677 1.00 12.10 H new ATOM 0 HD21 ASN A 21 22.333 -18.170 -9.786 1.00 43.13 H new ATOM 0 HD22 ASN A 21 20.897 -18.922 -9.082 1.00 43.13 H new ATOM 327 N GLY A 22 20.686 -22.088 -10.120 1.00 51.51 N ATOM 328 CA GLY A 22 21.154 -22.697 -11.351 1.00 45.21 C ATOM 329 C GLY A 22 20.653 -21.972 -12.584 1.00 45.43 C ATOM 330 O GLY A 22 20.877 -20.771 -12.740 1.00 53.24 O ATOM 0 H GLY A 22 19.690 -21.870 -10.102 1.00 51.51 H new ATOM 0 HA2 GLY A 22 22.244 -22.706 -11.357 1.00 45.21 H new ATOM 0 HA3 GLY A 22 20.826 -23.736 -11.386 1.00 45.21 H new ATOM 334 N TYR A 23 19.976 -22.701 -13.463 1.00 60.43 N ATOM 335 CA TYR A 23 19.446 -22.121 -14.691 1.00 73.23 C ATOM 336 C TYR A 23 18.205 -22.876 -15.159 1.00 62.12 C ATOM 337 O TYR A 23 18.210 -24.104 -15.249 1.00 35.24 O ATOM 338 CB TYR A 23 20.511 -22.137 -15.789 1.00 75.33 C ATOM 339 CG TYR A 23 21.727 -21.300 -15.465 1.00 40.13 C ATOM 340 CD1 TYR A 23 21.781 -19.955 -15.809 1.00 52.13 C ATOM 341 CD2 TYR A 23 22.823 -21.854 -14.814 1.00 55.22 C ATOM 342 CE1 TYR A 23 22.891 -19.186 -15.516 1.00 35.31 C ATOM 343 CE2 TYR A 23 23.936 -21.092 -14.515 1.00 70.45 C ATOM 344 CZ TYR A 23 23.965 -19.759 -14.869 1.00 24.52 C ATOM 345 OH TYR A 23 25.072 -18.997 -14.574 1.00 1.15 O ATOM 0 H TYR A 23 19.781 -23.696 -13.348 1.00 60.43 H new ATOM 0 HA TYR A 23 19.164 -21.089 -14.483 1.00 73.23 H new ATOM 0 HB2 TYR A 23 20.825 -23.166 -15.964 1.00 75.33 H new ATOM 0 HB3 TYR A 23 20.069 -21.776 -16.718 1.00 75.33 H new ATOM 0 HD1 TYR A 23 20.941 -19.503 -16.314 1.00 52.13 H new ATOM 0 HD2 TYR A 23 22.804 -22.898 -14.537 1.00 55.22 H new ATOM 0 HE1 TYR A 23 22.917 -18.142 -15.792 1.00 35.31 H new ATOM 0 HE2 TYR A 23 24.779 -21.537 -14.007 1.00 70.45 H new ATOM 0 HH TYR A 23 25.738 -19.551 -14.117 1.00 1.15 H new ATOM 355 N ILE A 24 17.145 -22.132 -15.457 1.00 23.21 N ATOM 356 CA ILE A 24 15.898 -22.730 -15.917 1.00 42.14 C ATOM 357 C ILE A 24 15.686 -22.481 -17.407 1.00 25.20 C ATOM 358 O ILE A 24 16.390 -21.677 -18.019 1.00 32.33 O ATOM 359 CB ILE A 24 14.689 -22.179 -15.139 1.00 53.44 C ATOM 360 CG1 ILE A 24 14.636 -20.653 -15.249 1.00 61.44 C ATOM 361 CG2 ILE A 24 14.757 -22.608 -13.681 1.00 55.14 C ATOM 362 CD1 ILE A 24 13.407 -20.142 -15.968 1.00 2.52 C ATOM 0 H ILE A 24 17.125 -21.115 -15.388 1.00 23.21 H new ATOM 0 HA ILE A 24 15.977 -23.802 -15.738 1.00 42.14 H new ATOM 0 HB ILE A 24 13.778 -22.588 -15.576 1.00 53.44 H new ATOM 0 HG12 ILE A 24 14.666 -20.223 -14.248 1.00 61.44 H new ATOM 0 HG13 ILE A 24 15.525 -20.303 -15.773 1.00 61.44 H new ATOM 0 HG21 ILE A 24 13.896 -22.211 -13.144 1.00 55.14 H new ATOM 0 HG22 ILE A 24 14.751 -23.696 -13.621 1.00 55.14 H new ATOM 0 HG23 ILE A 24 15.673 -22.225 -13.231 1.00 55.14 H new ATOM 0 HD11 ILE A 24 13.436 -19.053 -16.009 1.00 2.52 H new ATOM 0 HD12 ILE A 24 13.385 -20.543 -16.981 1.00 2.52 H new ATOM 0 HD13 ILE A 24 12.513 -20.461 -15.432 1.00 2.52 H new ATOM 374 N SER A 25 14.711 -23.176 -17.985 1.00 2.45 N ATOM 375 CA SER A 25 14.407 -23.032 -19.403 1.00 44.25 C ATOM 376 C SER A 25 13.247 -22.064 -19.615 1.00 45.43 C ATOM 377 O SER A 25 12.577 -21.663 -18.664 1.00 63.20 O ATOM 378 CB SER A 25 14.069 -24.393 -20.015 1.00 14.24 C ATOM 379 OG SER A 25 14.012 -25.399 -19.019 1.00 31.25 O ATOM 0 H SER A 25 14.118 -23.844 -17.492 1.00 2.45 H new ATOM 0 HA SER A 25 15.290 -22.628 -19.899 1.00 44.25 H new ATOM 0 HB2 SER A 25 13.112 -24.335 -20.533 1.00 14.24 H new ATOM 0 HB3 SER A 25 14.819 -24.657 -20.760 1.00 14.24 H new ATOM 0 HG SER A 25 13.199 -25.284 -18.484 1.00 31.25 H new ATOM 385 N ALA A 26 13.017 -21.692 -20.870 1.00 41.32 N ATOM 386 CA ALA A 26 11.938 -20.772 -21.209 1.00 33.44 C ATOM 387 C ALA A 26 10.643 -21.162 -20.503 1.00 23.01 C ATOM 388 O ALA A 26 9.934 -20.308 -19.972 1.00 33.42 O ATOM 389 CB ALA A 26 11.729 -20.735 -22.715 1.00 61.23 C ATOM 0 H ALA A 26 13.564 -22.014 -21.669 1.00 41.32 H new ATOM 0 HA ALA A 26 12.222 -19.776 -20.868 1.00 33.44 H new ATOM 0 HB1 ALA A 26 10.920 -20.044 -22.953 1.00 61.23 H new ATOM 0 HB2 ALA A 26 12.646 -20.402 -23.202 1.00 61.23 H new ATOM 0 HB3 ALA A 26 11.471 -21.732 -23.071 1.00 61.23 H new ATOM 395 N ALA A 27 10.342 -22.456 -20.502 1.00 32.41 N ATOM 396 CA ALA A 27 9.133 -22.959 -19.860 1.00 42.32 C ATOM 397 C ALA A 27 8.976 -22.382 -18.457 1.00 63.13 C ATOM 398 O ALA A 27 8.003 -21.686 -18.167 1.00 70.41 O ATOM 399 CB ALA A 27 9.156 -24.479 -19.809 1.00 21.24 C ATOM 0 H ALA A 27 10.918 -23.176 -20.938 1.00 32.41 H new ATOM 0 HA ALA A 27 8.276 -22.640 -20.453 1.00 42.32 H new ATOM 0 HB1 ALA A 27 8.248 -24.841 -19.327 1.00 21.24 H new ATOM 0 HB2 ALA A 27 9.212 -24.876 -20.822 1.00 21.24 H new ATOM 0 HB3 ALA A 27 10.025 -24.811 -19.241 1.00 21.24 H new ATOM 405 N ASP A 28 9.939 -22.676 -17.591 1.00 23.42 N ATOM 406 CA ASP A 28 9.908 -22.187 -16.218 1.00 0.45 C ATOM 407 C ASP A 28 9.720 -20.673 -16.185 1.00 21.15 C ATOM 408 O ASP A 28 9.122 -20.131 -15.254 1.00 24.12 O ATOM 409 CB ASP A 28 11.197 -22.569 -15.488 1.00 34.13 C ATOM 410 CG ASP A 28 10.981 -23.676 -14.474 1.00 42.13 C ATOM 411 OD1 ASP A 28 9.922 -23.676 -13.813 1.00 61.50 O ATOM 412 OD2 ASP A 28 11.872 -24.541 -14.342 1.00 23.12 O ATOM 0 H ASP A 28 10.751 -23.251 -17.816 1.00 23.42 H new ATOM 0 HA ASP A 28 9.062 -22.652 -15.712 1.00 0.45 H new ATOM 0 HB2 ASP A 28 11.943 -22.888 -16.216 1.00 34.13 H new ATOM 0 HB3 ASP A 28 11.599 -21.691 -14.983 1.00 34.13 H new ATOM 417 N LEU A 29 10.235 -19.996 -17.205 1.00 12.11 N ATOM 418 CA LEU A 29 10.125 -18.544 -17.293 1.00 12.12 C ATOM 419 C LEU A 29 8.690 -18.124 -17.597 1.00 43.11 C ATOM 420 O LEU A 29 8.104 -17.315 -16.878 1.00 2.32 O ATOM 421 CB LEU A 29 11.066 -18.006 -18.372 1.00 53.12 C ATOM 422 CG LEU A 29 11.355 -16.505 -18.323 1.00 60.21 C ATOM 423 CD1 LEU A 29 12.255 -16.173 -17.143 1.00 61.40 C ATOM 424 CD2 LEU A 29 11.989 -16.041 -19.627 1.00 32.44 C ATOM 0 H LEU A 29 10.733 -20.429 -17.983 1.00 12.11 H new ATOM 0 HA LEU A 29 10.410 -18.123 -16.329 1.00 12.12 H new ATOM 0 HB2 LEU A 29 12.013 -18.541 -18.299 1.00 53.12 H new ATOM 0 HB3 LEU A 29 10.641 -18.242 -19.347 1.00 53.12 H new ATOM 0 HG LEU A 29 10.411 -15.977 -18.193 1.00 60.21 H new ATOM 0 HD11 LEU A 29 12.450 -15.101 -17.124 1.00 61.40 H new ATOM 0 HD12 LEU A 29 11.764 -16.469 -16.216 1.00 61.40 H new ATOM 0 HD13 LEU A 29 13.198 -16.711 -17.242 1.00 61.40 H new ATOM 0 HD21 LEU A 29 12.188 -14.971 -19.574 1.00 32.44 H new ATOM 0 HD22 LEU A 29 12.925 -16.576 -19.787 1.00 32.44 H new ATOM 0 HD23 LEU A 29 11.309 -16.243 -20.454 1.00 32.44 H new ATOM 436 N ARG A 30 8.130 -18.681 -18.666 1.00 3.31 N ATOM 437 CA ARG A 30 6.764 -18.365 -19.065 1.00 0.44 C ATOM 438 C ARG A 30 5.785 -18.657 -17.931 1.00 4.00 C ATOM 439 O ARG A 30 4.787 -17.956 -17.762 1.00 71.24 O ATOM 440 CB ARG A 30 6.375 -19.166 -20.308 1.00 73.12 C ATOM 441 CG ARG A 30 5.984 -18.299 -21.494 1.00 31.12 C ATOM 442 CD ARG A 30 5.568 -19.143 -22.688 1.00 75.41 C ATOM 443 NE ARG A 30 6.001 -18.554 -23.952 1.00 74.44 N ATOM 444 CZ ARG A 30 5.377 -17.541 -24.543 1.00 73.30 C ATOM 445 NH1 ARG A 30 4.298 -17.007 -23.986 1.00 65.12 N ATOM 446 NH2 ARG A 30 5.832 -17.060 -25.693 1.00 34.01 N ATOM 0 H ARG A 30 8.601 -19.353 -19.271 1.00 3.31 H new ATOM 0 HA ARG A 30 6.717 -17.301 -19.298 1.00 0.44 H new ATOM 0 HB2 ARG A 30 7.211 -19.804 -20.595 1.00 73.12 H new ATOM 0 HB3 ARG A 30 5.542 -19.824 -20.060 1.00 73.12 H new ATOM 0 HG2 ARG A 30 5.164 -17.640 -21.210 1.00 31.12 H new ATOM 0 HG3 ARG A 30 6.823 -17.662 -21.772 1.00 31.12 H new ATOM 0 HD2 ARG A 30 5.991 -20.143 -22.590 1.00 75.41 H new ATOM 0 HD3 ARG A 30 4.484 -19.255 -22.693 1.00 75.41 H new ATOM 0 HE ARG A 30 6.828 -18.942 -24.406 1.00 74.44 H new ATOM 0 HH11 ARG A 30 3.946 -17.374 -23.102 1.00 65.12 H new ATOM 0 HH12 ARG A 30 3.821 -16.229 -24.442 1.00 65.12 H new ATOM 0 HH21 ARG A 30 6.662 -17.468 -26.124 1.00 34.01 H new ATOM 0 HH22 ARG A 30 5.352 -16.282 -26.146 1.00 34.01 H new ATOM 460 N HIS A 31 6.079 -19.697 -17.156 1.00 55.33 N ATOM 461 CA HIS A 31 5.225 -20.082 -16.038 1.00 54.13 C ATOM 462 C HIS A 31 5.308 -19.056 -14.912 1.00 42.02 C ATOM 463 O HIS A 31 4.315 -18.415 -14.567 1.00 62.24 O ATOM 464 CB HIS A 31 5.623 -21.463 -15.517 1.00 5.33 C ATOM 465 CG HIS A 31 4.507 -22.460 -15.548 1.00 32.31 C ATOM 466 ND1 HIS A 31 3.318 -22.281 -14.872 1.00 25.23 N ATOM 467 CD2 HIS A 31 4.402 -23.652 -16.181 1.00 32.12 C ATOM 468 CE1 HIS A 31 2.532 -23.320 -15.086 1.00 34.51 C ATOM 469 NE2 HIS A 31 3.165 -24.167 -15.878 1.00 3.33 N ATOM 0 H HIS A 31 6.901 -20.287 -17.282 1.00 55.33 H new ATOM 0 HA HIS A 31 4.196 -20.120 -16.395 1.00 54.13 H new ATOM 0 HB2 HIS A 31 6.454 -21.841 -16.113 1.00 5.33 H new ATOM 0 HB3 HIS A 31 5.984 -21.366 -14.493 1.00 5.33 H new ATOM 0 HD2 HIS A 31 5.151 -24.112 -16.808 1.00 32.12 H new ATOM 0 HE1 HIS A 31 1.540 -23.455 -14.682 1.00 34.51 H new ATOM 0 HE2 HIS A 31 2.796 -25.058 -16.210 1.00 3.33 H new ATOM 477 N VAL A 32 6.500 -18.906 -14.342 1.00 15.11 N ATOM 478 CA VAL A 32 6.713 -17.958 -13.255 1.00 12.10 C ATOM 479 C VAL A 32 6.254 -16.558 -13.648 1.00 72.34 C ATOM 480 O VAL A 32 5.625 -15.855 -12.858 1.00 22.31 O ATOM 481 CB VAL A 32 8.195 -17.903 -12.841 1.00 44.43 C ATOM 482 CG1 VAL A 32 8.387 -16.958 -11.665 1.00 12.23 C ATOM 483 CG2 VAL A 32 8.707 -19.296 -12.506 1.00 12.52 C ATOM 0 H VAL A 32 7.332 -19.429 -14.615 1.00 15.11 H new ATOM 0 HA VAL A 32 6.120 -18.307 -12.410 1.00 12.10 H new ATOM 0 HB VAL A 32 8.774 -17.520 -13.681 1.00 44.43 H new ATOM 0 HG11 VAL A 32 9.441 -16.933 -11.387 1.00 12.23 H new ATOM 0 HG12 VAL A 32 8.062 -15.956 -11.946 1.00 12.23 H new ATOM 0 HG13 VAL A 32 7.797 -17.307 -10.818 1.00 12.23 H new ATOM 0 HG21 VAL A 32 9.756 -19.238 -12.216 1.00 12.52 H new ATOM 0 HG22 VAL A 32 8.125 -19.709 -11.682 1.00 12.52 H new ATOM 0 HG23 VAL A 32 8.608 -19.940 -13.380 1.00 12.52 H new ATOM 493 N MET A 33 6.572 -16.160 -14.876 1.00 22.51 N ATOM 494 CA MET A 33 6.191 -14.845 -15.375 1.00 54.53 C ATOM 495 C MET A 33 4.674 -14.726 -15.491 1.00 3.41 C ATOM 496 O MET A 33 4.061 -13.848 -14.881 1.00 62.55 O ATOM 497 CB MET A 33 6.840 -14.584 -16.736 1.00 15.10 C ATOM 498 CG MET A 33 8.296 -14.160 -16.643 1.00 64.03 C ATOM 499 SD MET A 33 8.955 -13.588 -18.221 1.00 61.33 S ATOM 500 CE MET A 33 7.861 -12.213 -18.567 1.00 12.03 C ATOM 0 H MET A 33 7.092 -16.730 -15.543 1.00 22.51 H new ATOM 0 HA MET A 33 6.543 -14.098 -14.663 1.00 54.53 H new ATOM 0 HB2 MET A 33 6.771 -15.488 -17.342 1.00 15.10 H new ATOM 0 HB3 MET A 33 6.277 -13.809 -17.255 1.00 15.10 H new ATOM 0 HG2 MET A 33 8.392 -13.365 -15.904 1.00 64.03 H new ATOM 0 HG3 MET A 33 8.893 -15.000 -16.287 1.00 64.03 H new ATOM 0 HE1 MET A 33 8.273 -11.616 -19.381 1.00 12.03 H new ATOM 0 HE2 MET A 33 6.880 -12.592 -18.855 1.00 12.03 H new ATOM 0 HE3 MET A 33 7.763 -11.593 -17.676 1.00 12.03 H new ATOM 510 N THR A 34 4.074 -15.614 -16.277 1.00 54.42 N ATOM 511 CA THR A 34 2.629 -15.607 -16.474 1.00 25.03 C ATOM 512 C THR A 34 1.893 -15.765 -15.148 1.00 45.22 C ATOM 513 O THR A 34 0.730 -15.386 -15.025 1.00 14.11 O ATOM 514 CB THR A 34 2.188 -16.731 -17.430 1.00 54.32 C ATOM 515 OG1 THR A 34 2.808 -16.558 -18.709 1.00 42.30 O ATOM 516 CG2 THR A 34 0.675 -16.740 -17.592 1.00 0.10 C ATOM 0 H THR A 34 4.566 -16.347 -16.788 1.00 54.42 H new ATOM 0 HA THR A 34 2.374 -14.643 -16.915 1.00 25.03 H new ATOM 0 HB THR A 34 2.498 -17.684 -17.002 1.00 54.32 H new ATOM 0 HG1 THR A 34 3.598 -17.135 -18.770 1.00 42.30 H new ATOM 0 HG21 THR A 34 0.387 -17.542 -18.271 1.00 0.10 H new ATOM 0 HG22 THR A 34 0.206 -16.901 -16.621 1.00 0.10 H new ATOM 0 HG23 THR A 34 0.347 -15.784 -18.000 1.00 0.10 H new ATOM 524 N ASN A 35 2.580 -16.326 -14.158 1.00 63.24 N ATOM 525 CA ASN A 35 1.991 -16.534 -12.841 1.00 12.23 C ATOM 526 C ASN A 35 2.086 -15.267 -11.996 1.00 51.34 C ATOM 527 O ASN A 35 1.073 -14.728 -11.549 1.00 54.33 O ATOM 528 CB ASN A 35 2.688 -17.691 -12.124 1.00 23.54 C ATOM 529 CG ASN A 35 2.111 -17.950 -10.746 1.00 33.05 C ATOM 530 OD1 ASN A 35 2.705 -17.581 -9.732 1.00 75.31 O ATOM 531 ND2 ASN A 35 0.946 -18.587 -10.702 1.00 64.32 N ATOM 0 H ASN A 35 3.545 -16.645 -14.243 1.00 63.24 H new ATOM 0 HA ASN A 35 0.938 -16.781 -12.977 1.00 12.23 H new ATOM 0 HB2 ASN A 35 2.600 -18.594 -12.727 1.00 23.54 H new ATOM 0 HB3 ASN A 35 3.752 -17.471 -12.034 1.00 23.54 H new ATOM 0 HD21 ASN A 35 0.509 -18.789 -9.803 1.00 64.32 H new ATOM 0 HD22 ASN A 35 0.489 -18.875 -11.567 1.00 64.32 H new ATOM 538 N LEU A 36 3.309 -14.796 -11.782 1.00 44.44 N ATOM 539 CA LEU A 36 3.538 -13.591 -10.992 1.00 41.22 C ATOM 540 C LEU A 36 2.677 -12.437 -11.496 1.00 75.41 C ATOM 541 O LEU A 36 2.279 -11.563 -10.727 1.00 24.53 O ATOM 542 CB LEU A 36 5.016 -13.198 -11.041 1.00 14.10 C ATOM 543 CG LEU A 36 5.782 -13.301 -9.722 1.00 35.24 C ATOM 544 CD1 LEU A 36 6.423 -14.673 -9.583 1.00 21.02 C ATOM 545 CD2 LEU A 36 6.834 -12.206 -9.629 1.00 22.22 C ATOM 0 H LEU A 36 4.158 -15.230 -12.144 1.00 44.44 H new ATOM 0 HA LEU A 36 3.259 -13.805 -9.960 1.00 41.22 H new ATOM 0 HB2 LEU A 36 5.515 -13.828 -11.778 1.00 14.10 H new ATOM 0 HB3 LEU A 36 5.087 -12.171 -11.400 1.00 14.10 H new ATOM 0 HG LEU A 36 5.076 -13.168 -8.902 1.00 35.24 H new ATOM 0 HD11 LEU A 36 6.964 -14.728 -8.638 1.00 21.02 H new ATOM 0 HD12 LEU A 36 5.649 -15.440 -9.603 1.00 21.02 H new ATOM 0 HD13 LEU A 36 7.116 -14.836 -10.408 1.00 21.02 H new ATOM 0 HD21 LEU A 36 7.369 -12.295 -8.684 1.00 22.22 H new ATOM 0 HD22 LEU A 36 7.538 -12.306 -10.455 1.00 22.22 H new ATOM 0 HD23 LEU A 36 6.350 -11.231 -9.681 1.00 22.22 H new ATOM 557 N GLY A 37 2.389 -12.443 -12.794 1.00 63.14 N ATOM 558 CA GLY A 37 1.575 -11.394 -13.379 1.00 13.34 C ATOM 559 C GLY A 37 1.925 -11.127 -14.829 1.00 23.10 C ATOM 560 O GLY A 37 2.153 -12.059 -15.600 1.00 14.20 O ATOM 0 H GLY A 37 2.705 -13.156 -13.451 1.00 63.14 H new ATOM 0 HA2 GLY A 37 0.524 -11.672 -13.308 1.00 13.34 H new ATOM 0 HA3 GLY A 37 1.702 -10.477 -12.803 1.00 13.34 H new ATOM 564 N GLU A 38 1.968 -9.852 -15.201 1.00 55.33 N ATOM 565 CA GLU A 38 2.290 -9.466 -16.570 1.00 64.52 C ATOM 566 C GLU A 38 1.361 -10.158 -17.564 1.00 10.15 C ATOM 567 O GLU A 38 1.762 -11.089 -18.263 1.00 11.34 O ATOM 568 CB GLU A 38 3.746 -9.812 -16.891 1.00 71.40 C ATOM 569 CG GLU A 38 4.754 -9.000 -16.095 1.00 61.45 C ATOM 570 CD GLU A 38 5.581 -9.856 -15.156 1.00 21.23 C ATOM 571 OE1 GLU A 38 6.610 -10.404 -15.604 1.00 72.41 O ATOM 572 OE2 GLU A 38 5.200 -9.978 -13.973 1.00 11.00 O ATOM 0 H GLU A 38 1.784 -9.069 -14.574 1.00 55.33 H new ATOM 0 HA GLU A 38 2.151 -8.389 -16.659 1.00 64.52 H new ATOM 0 HB2 GLU A 38 3.910 -10.872 -16.696 1.00 71.40 H new ATOM 0 HB3 GLU A 38 3.923 -9.653 -17.955 1.00 71.40 H new ATOM 0 HG2 GLU A 38 5.418 -8.477 -16.783 1.00 61.45 H new ATOM 0 HG3 GLU A 38 4.228 -8.239 -15.519 1.00 61.45 H new ATOM 579 N LYS A 39 0.116 -9.696 -17.620 1.00 63.30 N ATOM 580 CA LYS A 39 -0.872 -10.268 -18.527 1.00 42.11 C ATOM 581 C LYS A 39 -0.642 -9.786 -19.956 1.00 22.11 C ATOM 582 O LYS A 39 -1.221 -8.788 -20.386 1.00 51.22 O ATOM 583 CB LYS A 39 -2.286 -9.897 -18.074 1.00 4.53 C ATOM 584 CG LYS A 39 -3.337 -10.921 -18.461 1.00 74.42 C ATOM 585 CD LYS A 39 -3.428 -12.042 -17.439 1.00 4.12 C ATOM 586 CE LYS A 39 -4.064 -11.564 -16.143 1.00 11.23 C ATOM 587 NZ LYS A 39 -5.221 -12.414 -15.746 1.00 42.34 N ATOM 0 H LYS A 39 -0.232 -8.927 -17.048 1.00 63.30 H new ATOM 0 HA LYS A 39 -0.763 -11.352 -18.506 1.00 42.11 H new ATOM 0 HB2 LYS A 39 -2.291 -9.775 -16.991 1.00 4.53 H new ATOM 0 HB3 LYS A 39 -2.555 -8.932 -18.504 1.00 4.53 H new ATOM 0 HG2 LYS A 39 -4.307 -10.431 -18.552 1.00 74.42 H new ATOM 0 HG3 LYS A 39 -3.097 -11.338 -19.439 1.00 74.42 H new ATOM 0 HD2 LYS A 39 -4.013 -12.865 -17.851 1.00 4.12 H new ATOM 0 HD3 LYS A 39 -2.431 -12.431 -17.234 1.00 4.12 H new ATOM 0 HE2 LYS A 39 -3.318 -11.572 -15.348 1.00 11.23 H new ATOM 0 HE3 LYS A 39 -4.395 -10.532 -16.260 1.00 11.23 H new ATOM 0 HZ1 LYS A 39 -5.627 -12.055 -14.858 1.00 42.34 H new ATOM 0 HZ2 LYS A 39 -5.944 -12.387 -16.493 1.00 42.34 H new ATOM 0 HZ3 LYS A 39 -4.901 -13.394 -15.609 1.00 42.34 H new ATOM 601 N LEU A 40 0.205 -10.502 -20.687 1.00 44.44 N ATOM 602 CA LEU A 40 0.511 -10.148 -22.069 1.00 53.23 C ATOM 603 C LEU A 40 0.177 -11.299 -23.013 1.00 12.04 C ATOM 604 O LEU A 40 -0.056 -12.427 -22.576 1.00 42.12 O ATOM 605 CB LEU A 40 1.988 -9.773 -22.206 1.00 75.22 C ATOM 606 CG LEU A 40 2.386 -8.402 -21.659 1.00 54.14 C ATOM 607 CD1 LEU A 40 3.899 -8.282 -21.568 1.00 70.33 C ATOM 608 CD2 LEU A 40 1.813 -7.294 -22.531 1.00 13.54 C ATOM 0 H LEU A 40 0.692 -11.331 -20.346 1.00 44.44 H new ATOM 0 HA LEU A 40 -0.102 -9.289 -22.342 1.00 53.23 H new ATOM 0 HB2 LEU A 40 2.583 -10.531 -21.698 1.00 75.22 H new ATOM 0 HB3 LEU A 40 2.256 -9.812 -23.262 1.00 75.22 H new ATOM 0 HG LEU A 40 1.973 -8.298 -20.656 1.00 54.14 H new ATOM 0 HD11 LEU A 40 4.163 -7.300 -21.177 1.00 70.33 H new ATOM 0 HD12 LEU A 40 4.286 -9.054 -20.902 1.00 70.33 H new ATOM 0 HD13 LEU A 40 4.334 -8.407 -22.560 1.00 70.33 H new ATOM 0 HD21 LEU A 40 2.106 -6.325 -22.127 1.00 13.54 H new ATOM 0 HD22 LEU A 40 2.196 -7.395 -23.546 1.00 13.54 H new ATOM 0 HD23 LEU A 40 0.726 -7.368 -22.545 1.00 13.54 H new ATOM 620 N THR A 41 0.157 -11.008 -24.310 1.00 13.23 N ATOM 621 CA THR A 41 -0.147 -12.018 -25.315 1.00 74.02 C ATOM 622 C THR A 41 1.104 -12.792 -25.713 1.00 43.22 C ATOM 623 O THR A 41 2.223 -12.382 -25.404 1.00 44.15 O ATOM 624 CB THR A 41 -0.769 -11.387 -26.575 1.00 75.12 C ATOM 625 OG1 THR A 41 0.197 -10.565 -27.239 1.00 74.05 O ATOM 626 CG2 THR A 41 -1.991 -10.554 -26.217 1.00 21.24 C ATOM 0 H THR A 41 0.348 -10.080 -24.689 1.00 13.23 H new ATOM 0 HA THR A 41 -0.867 -12.703 -24.867 1.00 74.02 H new ATOM 0 HB THR A 41 -1.080 -12.192 -27.241 1.00 75.12 H new ATOM 0 HG1 THR A 41 -0.206 -10.169 -28.040 1.00 74.05 H new ATOM 0 HG21 THR A 41 -2.413 -10.119 -27.123 1.00 21.24 H new ATOM 0 HG22 THR A 41 -2.737 -11.189 -25.738 1.00 21.24 H new ATOM 0 HG23 THR A 41 -1.700 -9.757 -25.533 1.00 21.24 H new ATOM 634 N ASP A 42 0.908 -13.912 -26.400 1.00 42.44 N ATOM 635 CA ASP A 42 2.022 -14.742 -26.843 1.00 22.34 C ATOM 636 C ASP A 42 3.037 -13.917 -27.627 1.00 64.23 C ATOM 637 O ASP A 42 4.228 -14.229 -27.639 1.00 13.31 O ATOM 638 CB ASP A 42 1.513 -15.900 -27.703 1.00 0.20 C ATOM 639 CG ASP A 42 0.497 -16.759 -26.976 1.00 2.44 C ATOM 640 OD1 ASP A 42 -0.590 -16.240 -26.646 1.00 24.13 O ATOM 641 OD2 ASP A 42 0.789 -17.949 -26.736 1.00 5.04 O ATOM 0 H ASP A 42 -0.012 -14.266 -26.662 1.00 42.44 H new ATOM 0 HA ASP A 42 2.515 -15.146 -25.959 1.00 22.34 H new ATOM 0 HB2 ASP A 42 1.063 -15.503 -28.613 1.00 0.20 H new ATOM 0 HB3 ASP A 42 2.356 -16.520 -28.008 1.00 0.20 H new ATOM 646 N GLU A 43 2.557 -12.865 -28.282 1.00 44.42 N ATOM 647 CA GLU A 43 3.424 -11.996 -29.071 1.00 33.40 C ATOM 648 C GLU A 43 4.204 -11.043 -28.170 1.00 62.34 C ATOM 649 O GLU A 43 5.426 -10.941 -28.270 1.00 43.42 O ATOM 650 CB GLU A 43 2.599 -11.199 -30.083 1.00 14.31 C ATOM 651 CG GLU A 43 2.157 -12.015 -31.286 1.00 52.42 C ATOM 652 CD GLU A 43 3.232 -12.112 -32.351 1.00 73.43 C ATOM 653 OE1 GLU A 43 4.420 -11.928 -32.015 1.00 12.14 O ATOM 654 OE2 GLU A 43 2.884 -12.374 -33.522 1.00 11.20 O ATOM 0 H GLU A 43 1.574 -12.593 -28.282 1.00 44.42 H new ATOM 0 HA GLU A 43 4.135 -12.624 -29.607 1.00 33.40 H new ATOM 0 HB2 GLU A 43 1.717 -10.797 -29.584 1.00 14.31 H new ATOM 0 HB3 GLU A 43 3.186 -10.348 -30.428 1.00 14.31 H new ATOM 0 HG2 GLU A 43 1.883 -13.018 -30.959 1.00 52.42 H new ATOM 0 HG3 GLU A 43 1.263 -11.565 -31.717 1.00 52.42 H new ATOM 661 N GLU A 44 3.488 -10.348 -27.292 1.00 72.14 N ATOM 662 CA GLU A 44 4.113 -9.402 -26.375 1.00 62.44 C ATOM 663 C GLU A 44 5.159 -10.096 -25.508 1.00 21.54 C ATOM 664 O GLU A 44 6.276 -9.604 -25.349 1.00 63.42 O ATOM 665 CB GLU A 44 3.055 -8.742 -25.489 1.00 23.34 C ATOM 666 CG GLU A 44 2.573 -7.400 -26.012 1.00 45.13 C ATOM 667 CD GLU A 44 1.091 -7.396 -26.332 1.00 63.45 C ATOM 668 OE1 GLU A 44 0.315 -7.993 -25.558 1.00 10.15 O ATOM 669 OE2 GLU A 44 0.708 -6.796 -27.359 1.00 21.44 O ATOM 0 H GLU A 44 2.475 -10.422 -27.196 1.00 72.14 H new ATOM 0 HA GLU A 44 4.610 -8.634 -26.968 1.00 62.44 H new ATOM 0 HB2 GLU A 44 2.202 -9.414 -25.395 1.00 23.34 H new ATOM 0 HB3 GLU A 44 3.465 -8.606 -24.488 1.00 23.34 H new ATOM 0 HG2 GLU A 44 2.783 -6.629 -25.271 1.00 45.13 H new ATOM 0 HG3 GLU A 44 3.135 -7.141 -26.909 1.00 45.13 H new ATOM 676 N VAL A 45 4.788 -11.243 -24.947 1.00 32.11 N ATOM 677 CA VAL A 45 5.693 -12.006 -24.096 1.00 33.05 C ATOM 678 C VAL A 45 6.945 -12.422 -24.859 1.00 21.44 C ATOM 679 O VAL A 45 8.037 -12.485 -24.293 1.00 32.40 O ATOM 680 CB VAL A 45 5.006 -13.264 -23.532 1.00 60.42 C ATOM 681 CG1 VAL A 45 5.973 -14.060 -22.669 1.00 5.41 C ATOM 682 CG2 VAL A 45 3.763 -12.884 -22.742 1.00 72.04 C ATOM 0 H VAL A 45 3.867 -11.664 -25.067 1.00 32.11 H new ATOM 0 HA VAL A 45 5.975 -11.354 -23.269 1.00 33.05 H new ATOM 0 HB VAL A 45 4.699 -13.894 -24.367 1.00 60.42 H new ATOM 0 HG11 VAL A 45 5.469 -14.945 -22.280 1.00 5.41 H new ATOM 0 HG12 VAL A 45 6.830 -14.365 -23.269 1.00 5.41 H new ATOM 0 HG13 VAL A 45 6.313 -13.441 -21.839 1.00 5.41 H new ATOM 0 HG21 VAL A 45 3.291 -13.785 -22.351 1.00 72.04 H new ATOM 0 HG22 VAL A 45 4.043 -12.233 -21.914 1.00 72.04 H new ATOM 0 HG23 VAL A 45 3.063 -12.361 -23.394 1.00 72.04 H new ATOM 692 N ASP A 46 6.780 -12.705 -26.146 1.00 20.10 N ATOM 693 CA ASP A 46 7.898 -13.114 -26.988 1.00 71.24 C ATOM 694 C ASP A 46 9.053 -12.124 -26.877 1.00 22.32 C ATOM 695 O ASP A 46 10.220 -12.516 -26.868 1.00 75.24 O ATOM 696 CB ASP A 46 7.450 -13.232 -28.446 1.00 15.40 C ATOM 697 CG ASP A 46 8.261 -14.251 -29.221 1.00 41.00 C ATOM 698 OD1 ASP A 46 8.360 -15.406 -28.757 1.00 65.04 O ATOM 699 OD2 ASP A 46 8.798 -13.893 -30.291 1.00 34.42 O ATOM 0 H ASP A 46 5.883 -12.659 -26.629 1.00 20.10 H new ATOM 0 HA ASP A 46 8.244 -14.088 -26.642 1.00 71.24 H new ATOM 0 HB2 ASP A 46 6.397 -13.510 -28.478 1.00 15.40 H new ATOM 0 HB3 ASP A 46 7.537 -12.259 -28.930 1.00 15.40 H new ATOM 704 N GLU A 47 8.720 -10.840 -26.792 1.00 74.25 N ATOM 705 CA GLU A 47 9.730 -9.795 -26.684 1.00 2.35 C ATOM 706 C GLU A 47 10.241 -9.679 -25.250 1.00 64.33 C ATOM 707 O GLU A 47 11.434 -9.483 -25.020 1.00 1.23 O ATOM 708 CB GLU A 47 9.158 -8.452 -27.142 1.00 41.32 C ATOM 709 CG GLU A 47 8.979 -8.349 -28.648 1.00 10.34 C ATOM 710 CD GLU A 47 7.585 -8.742 -29.097 1.00 42.44 C ATOM 711 OE1 GLU A 47 6.608 -8.166 -28.575 1.00 1.01 O ATOM 712 OE2 GLU A 47 7.472 -9.625 -29.973 1.00 21.32 O ATOM 0 H GLU A 47 7.759 -10.499 -26.796 1.00 74.25 H new ATOM 0 HA GLU A 47 10.566 -10.065 -27.330 1.00 2.35 H new ATOM 0 HB2 GLU A 47 8.194 -8.293 -26.658 1.00 41.32 H new ATOM 0 HB3 GLU A 47 9.818 -7.652 -26.807 1.00 41.32 H new ATOM 0 HG2 GLU A 47 9.184 -7.327 -28.966 1.00 10.34 H new ATOM 0 HG3 GLU A 47 9.710 -8.989 -29.142 1.00 10.34 H new ATOM 719 N MET A 48 9.330 -9.803 -24.291 1.00 55.54 N ATOM 720 CA MET A 48 9.688 -9.713 -22.881 1.00 13.23 C ATOM 721 C MET A 48 10.828 -10.670 -22.547 1.00 74.02 C ATOM 722 O MET A 48 11.800 -10.289 -21.895 1.00 13.42 O ATOM 723 CB MET A 48 8.473 -10.022 -22.003 1.00 61.24 C ATOM 724 CG MET A 48 7.931 -8.808 -21.266 1.00 60.51 C ATOM 725 SD MET A 48 8.351 -8.816 -19.513 1.00 22.14 S ATOM 726 CE MET A 48 10.079 -9.281 -19.581 1.00 25.23 C ATOM 0 H MET A 48 8.338 -9.966 -24.465 1.00 55.54 H new ATOM 0 HA MET A 48 10.022 -8.695 -22.681 1.00 13.23 H new ATOM 0 HB2 MET A 48 7.683 -10.442 -22.625 1.00 61.24 H new ATOM 0 HB3 MET A 48 8.746 -10.787 -21.276 1.00 61.24 H new ATOM 0 HG2 MET A 48 8.326 -7.902 -21.726 1.00 60.51 H new ATOM 0 HG3 MET A 48 6.847 -8.775 -21.376 1.00 60.51 H new ATOM 0 HE1 MET A 48 10.554 -9.057 -18.626 1.00 25.23 H new ATOM 0 HE2 MET A 48 10.161 -10.348 -19.786 1.00 25.23 H new ATOM 0 HE3 MET A 48 10.576 -8.721 -20.373 1.00 25.23 H new ATOM 736 N ILE A 49 10.701 -11.913 -22.998 1.00 61.44 N ATOM 737 CA ILE A 49 11.721 -12.924 -22.748 1.00 4.20 C ATOM 738 C ILE A 49 13.002 -12.614 -23.515 1.00 43.41 C ATOM 739 O ILE A 49 14.095 -13.004 -23.103 1.00 73.11 O ATOM 740 CB ILE A 49 11.230 -14.330 -23.140 1.00 15.33 C ATOM 741 CG1 ILE A 49 9.881 -14.624 -22.480 1.00 31.23 C ATOM 742 CG2 ILE A 49 12.258 -15.379 -22.747 1.00 22.44 C ATOM 743 CD1 ILE A 49 9.263 -15.931 -22.925 1.00 31.11 C ATOM 0 H ILE A 49 9.902 -12.244 -23.538 1.00 61.44 H new ATOM 0 HA ILE A 49 11.927 -12.905 -21.678 1.00 4.20 H new ATOM 0 HB ILE A 49 11.100 -14.365 -24.222 1.00 15.33 H new ATOM 0 HG12 ILE A 49 10.011 -14.643 -21.398 1.00 31.23 H new ATOM 0 HG13 ILE A 49 9.191 -13.810 -22.704 1.00 31.23 H new ATOM 0 HG21 ILE A 49 11.896 -16.367 -23.031 1.00 22.44 H new ATOM 0 HG22 ILE A 49 13.199 -15.176 -23.259 1.00 22.44 H new ATOM 0 HG23 ILE A 49 12.417 -15.347 -21.669 1.00 22.44 H new ATOM 0 HD11 ILE A 49 8.309 -16.074 -22.417 1.00 31.11 H new ATOM 0 HD12 ILE A 49 9.100 -15.908 -24.003 1.00 31.11 H new ATOM 0 HD13 ILE A 49 9.933 -16.754 -22.676 1.00 31.11 H new ATOM 755 N ARG A 50 12.860 -11.907 -24.632 1.00 62.50 N ATOM 756 CA ARG A 50 14.006 -11.544 -25.457 1.00 1.21 C ATOM 757 C ARG A 50 15.073 -10.839 -24.624 1.00 65.45 C ATOM 758 O ARG A 50 16.267 -10.958 -24.900 1.00 52.22 O ATOM 759 CB ARG A 50 13.565 -10.641 -26.610 1.00 41.51 C ATOM 760 CG ARG A 50 14.228 -10.978 -27.936 1.00 2.44 C ATOM 761 CD ARG A 50 13.321 -10.650 -29.111 1.00 60.54 C ATOM 762 NE ARG A 50 13.671 -11.419 -30.303 1.00 34.32 N ATOM 763 CZ ARG A 50 12.896 -11.499 -31.379 1.00 64.13 C ATOM 764 NH1 ARG A 50 11.735 -10.860 -31.414 1.00 3.03 N ATOM 765 NH2 ARG A 50 13.284 -12.219 -32.425 1.00 14.14 N ATOM 0 H ARG A 50 11.963 -11.575 -24.986 1.00 62.50 H new ATOM 0 HA ARG A 50 14.434 -12.460 -25.865 1.00 1.21 H new ATOM 0 HB2 ARG A 50 12.484 -10.715 -26.725 1.00 41.51 H new ATOM 0 HB3 ARG A 50 13.788 -9.605 -26.355 1.00 41.51 H new ATOM 0 HG2 ARG A 50 15.161 -10.422 -28.029 1.00 2.44 H new ATOM 0 HG3 ARG A 50 14.484 -12.037 -27.957 1.00 2.44 H new ATOM 0 HD2 ARG A 50 12.286 -10.855 -28.838 1.00 60.54 H new ATOM 0 HD3 ARG A 50 13.387 -9.585 -29.334 1.00 60.54 H new ATOM 0 HE ARG A 50 14.559 -11.922 -30.309 1.00 34.32 H new ATOM 0 HH11 ARG A 50 11.434 -10.305 -30.613 1.00 3.03 H new ATOM 0 HH12 ARG A 50 11.143 -10.924 -32.242 1.00 3.03 H new ATOM 0 HH21 ARG A 50 14.177 -12.711 -32.402 1.00 14.14 H new ATOM 0 HH22 ARG A 50 12.689 -12.280 -33.251 1.00 14.14 H new ATOM 779 N GLU A 51 14.634 -10.107 -23.606 1.00 3.51 N ATOM 780 CA GLU A 51 15.553 -9.382 -22.735 1.00 34.41 C ATOM 781 C GLU A 51 15.958 -10.239 -21.539 1.00 60.31 C ATOM 782 O GLU A 51 17.122 -10.255 -21.139 1.00 52.13 O ATOM 783 CB GLU A 51 14.911 -8.081 -22.250 1.00 11.14 C ATOM 784 CG GLU A 51 15.235 -6.880 -23.123 1.00 33.15 C ATOM 785 CD GLU A 51 14.797 -5.570 -22.498 1.00 12.32 C ATOM 786 OE1 GLU A 51 15.325 -5.221 -21.421 1.00 42.43 O ATOM 787 OE2 GLU A 51 13.926 -4.894 -23.085 1.00 3.45 O ATOM 0 H GLU A 51 13.649 -10.000 -23.364 1.00 3.51 H new ATOM 0 HA GLU A 51 16.448 -9.145 -23.310 1.00 34.41 H new ATOM 0 HB2 GLU A 51 13.829 -8.211 -22.213 1.00 11.14 H new ATOM 0 HB3 GLU A 51 15.243 -7.879 -21.232 1.00 11.14 H new ATOM 0 HG2 GLU A 51 16.309 -6.849 -23.308 1.00 33.15 H new ATOM 0 HG3 GLU A 51 14.748 -6.997 -24.091 1.00 33.15 H new ATOM 794 N ALA A 52 14.989 -10.950 -20.972 1.00 73.35 N ATOM 795 CA ALA A 52 15.244 -11.811 -19.824 1.00 11.42 C ATOM 796 C ALA A 52 15.901 -13.118 -20.252 1.00 71.24 C ATOM 797 O ALA A 52 15.363 -14.200 -20.018 1.00 74.43 O ATOM 798 CB ALA A 52 13.949 -12.089 -19.075 1.00 10.01 C ATOM 0 H ALA A 52 14.020 -10.947 -21.289 1.00 73.35 H new ATOM 0 HA ALA A 52 15.932 -11.291 -19.157 1.00 11.42 H new ATOM 0 HB1 ALA A 52 14.154 -12.733 -18.220 1.00 10.01 H new ATOM 0 HB2 ALA A 52 13.521 -11.149 -18.727 1.00 10.01 H new ATOM 0 HB3 ALA A 52 13.243 -12.584 -19.741 1.00 10.01 H new ATOM 804 N ASP A 53 17.066 -13.011 -20.881 1.00 41.13 N ATOM 805 CA ASP A 53 17.797 -14.186 -21.343 1.00 10.54 C ATOM 806 C ASP A 53 19.257 -13.842 -21.623 1.00 14.11 C ATOM 807 O ASP A 53 19.616 -12.671 -21.746 1.00 11.51 O ATOM 808 CB ASP A 53 17.144 -14.757 -22.602 1.00 32.11 C ATOM 809 CG ASP A 53 16.972 -13.715 -23.689 1.00 43.32 C ATOM 810 OD1 ASP A 53 17.736 -12.727 -23.689 1.00 62.04 O ATOM 811 OD2 ASP A 53 16.074 -13.886 -24.540 1.00 34.04 O ATOM 0 H ASP A 53 17.525 -12.123 -21.083 1.00 41.13 H new ATOM 0 HA ASP A 53 17.764 -14.937 -20.554 1.00 10.54 H new ATOM 0 HB2 ASP A 53 17.752 -15.578 -22.983 1.00 32.11 H new ATOM 0 HB3 ASP A 53 16.170 -15.174 -22.345 1.00 32.11 H new ATOM 816 N ILE A 54 20.093 -14.870 -21.721 1.00 53.25 N ATOM 817 CA ILE A 54 21.513 -14.676 -21.987 1.00 73.11 C ATOM 818 C ILE A 54 21.770 -14.466 -23.475 1.00 60.44 C ATOM 819 O ILE A 54 22.696 -13.753 -23.861 1.00 42.03 O ATOM 820 CB ILE A 54 22.346 -15.875 -21.498 1.00 32.45 C ATOM 821 CG1 ILE A 54 23.840 -15.581 -21.647 1.00 31.33 C ATOM 822 CG2 ILE A 54 21.968 -17.132 -22.268 1.00 23.04 C ATOM 823 CD1 ILE A 54 24.668 -16.048 -20.470 1.00 61.32 C ATOM 0 H ILE A 54 19.812 -15.845 -21.620 1.00 53.25 H new ATOM 0 HA ILE A 54 21.818 -13.784 -21.439 1.00 73.11 H new ATOM 0 HB ILE A 54 22.132 -16.041 -20.442 1.00 32.45 H new ATOM 0 HG12 ILE A 54 24.208 -16.062 -22.553 1.00 31.33 H new ATOM 0 HG13 ILE A 54 23.980 -14.508 -21.776 1.00 31.33 H new ATOM 0 HG21 ILE A 54 22.565 -17.971 -21.911 1.00 23.04 H new ATOM 0 HG22 ILE A 54 20.911 -17.348 -22.115 1.00 23.04 H new ATOM 0 HG23 ILE A 54 22.157 -16.978 -23.330 1.00 23.04 H new ATOM 0 HD11 ILE A 54 25.717 -15.807 -20.644 1.00 61.32 H new ATOM 0 HD12 ILE A 54 24.326 -15.548 -19.564 1.00 61.32 H new ATOM 0 HD13 ILE A 54 24.558 -17.126 -20.353 1.00 61.32 H new ATOM 835 N ASP A 55 20.943 -15.091 -24.307 1.00 24.23 N ATOM 836 CA ASP A 55 21.079 -14.971 -25.754 1.00 20.03 C ATOM 837 C ASP A 55 19.710 -14.931 -26.426 1.00 64.33 C ATOM 838 O ASP A 55 18.679 -14.885 -25.757 1.00 24.33 O ATOM 839 CB ASP A 55 21.900 -16.136 -26.309 1.00 3.22 C ATOM 840 CG ASP A 55 23.296 -16.193 -25.720 1.00 10.34 C ATOM 841 OD1 ASP A 55 23.983 -15.150 -25.718 1.00 51.53 O ATOM 842 OD2 ASP A 55 23.701 -17.280 -25.259 1.00 61.20 O ATOM 0 H ASP A 55 20.172 -15.686 -24.004 1.00 24.23 H new ATOM 0 HA ASP A 55 21.597 -14.037 -25.970 1.00 20.03 H new ATOM 0 HB2 ASP A 55 21.383 -17.073 -26.101 1.00 3.22 H new ATOM 0 HB3 ASP A 55 21.970 -16.044 -27.393 1.00 3.22 H new ATOM 847 N GLY A 56 19.709 -14.948 -27.756 1.00 21.31 N ATOM 848 CA GLY A 56 18.462 -14.912 -28.497 1.00 71.51 C ATOM 849 C GLY A 56 17.572 -16.101 -28.193 1.00 23.52 C ATOM 850 O GLY A 56 16.360 -15.955 -28.037 1.00 50.51 O ATOM 0 H GLY A 56 20.549 -14.986 -28.333 1.00 21.31 H new ATOM 0 HA2 GLY A 56 17.928 -13.992 -28.259 1.00 71.51 H new ATOM 0 HA3 GLY A 56 18.678 -14.888 -29.565 1.00 71.51 H new ATOM 854 N ASP A 57 18.174 -17.283 -28.110 1.00 4.34 N ATOM 855 CA ASP A 57 17.429 -18.503 -27.823 1.00 15.53 C ATOM 856 C ASP A 57 18.105 -19.305 -26.716 1.00 32.33 C ATOM 857 O ASP A 57 17.957 -20.524 -26.640 1.00 61.31 O ATOM 858 CB ASP A 57 17.302 -19.357 -29.085 1.00 31.12 C ATOM 859 CG ASP A 57 15.923 -19.970 -29.233 1.00 42.01 C ATOM 860 OD1 ASP A 57 15.710 -21.085 -28.712 1.00 11.22 O ATOM 861 OD2 ASP A 57 15.057 -19.334 -29.870 1.00 22.43 O ATOM 0 H ASP A 57 19.176 -17.422 -28.238 1.00 4.34 H new ATOM 0 HA ASP A 57 16.433 -18.220 -27.484 1.00 15.53 H new ATOM 0 HB2 ASP A 57 17.519 -18.743 -29.959 1.00 31.12 H new ATOM 0 HB3 ASP A 57 18.049 -20.151 -29.060 1.00 31.12 H new ATOM 866 N GLY A 58 18.849 -18.612 -25.859 1.00 34.34 N ATOM 867 CA GLY A 58 19.538 -19.277 -24.768 1.00 75.10 C ATOM 868 C GLY A 58 18.618 -19.584 -23.603 1.00 0.24 C ATOM 869 O GLY A 58 17.429 -19.838 -23.793 1.00 10.31 O ATOM 0 H GLY A 58 18.987 -17.602 -25.901 1.00 34.34 H new ATOM 0 HA2 GLY A 58 19.979 -20.205 -25.133 1.00 75.10 H new ATOM 0 HA3 GLY A 58 20.358 -18.648 -24.423 1.00 75.10 H new ATOM 873 N GLN A 59 19.170 -19.562 -22.394 1.00 11.13 N ATOM 874 CA GLN A 59 18.391 -19.842 -21.194 1.00 33.44 C ATOM 875 C GLN A 59 18.230 -18.587 -20.343 1.00 53.32 C ATOM 876 O GLN A 59 18.802 -17.540 -20.648 1.00 24.30 O ATOM 877 CB GLN A 59 19.059 -20.946 -20.373 1.00 21.55 C ATOM 878 CG GLN A 59 19.286 -22.232 -21.152 1.00 12.20 C ATOM 879 CD GLN A 59 20.735 -22.677 -21.135 1.00 50.54 C ATOM 880 OE1 GLN A 59 21.315 -22.901 -20.073 1.00 4.12 O ATOM 881 NE2 GLN A 59 21.328 -22.807 -22.316 1.00 41.33 N ATOM 0 H GLN A 59 20.153 -19.353 -22.220 1.00 11.13 H new ATOM 0 HA GLN A 59 17.401 -20.177 -21.505 1.00 33.44 H new ATOM 0 HB2 GLN A 59 20.017 -20.582 -20.002 1.00 21.55 H new ATOM 0 HB3 GLN A 59 18.441 -21.163 -19.502 1.00 21.55 H new ATOM 0 HG2 GLN A 59 18.663 -23.021 -20.732 1.00 12.20 H new ATOM 0 HG3 GLN A 59 18.966 -22.088 -22.184 1.00 12.20 H new ATOM 0 HE21 GLN A 59 20.809 -22.611 -23.172 1.00 41.33 H new ATOM 0 HE22 GLN A 59 22.303 -23.103 -22.367 1.00 41.33 H new ATOM 890 N VAL A 60 17.446 -18.698 -19.275 1.00 41.52 N ATOM 891 CA VAL A 60 17.210 -17.571 -18.380 1.00 20.31 C ATOM 892 C VAL A 60 18.114 -17.645 -17.154 1.00 52.34 C ATOM 893 O VAL A 60 18.017 -18.574 -16.354 1.00 15.53 O ATOM 894 CB VAL A 60 15.741 -17.519 -17.919 1.00 24.02 C ATOM 895 CG1 VAL A 60 15.515 -16.335 -16.991 1.00 34.20 C ATOM 896 CG2 VAL A 60 14.809 -17.453 -19.119 1.00 13.13 C ATOM 0 H VAL A 60 16.964 -19.556 -19.009 1.00 41.52 H new ATOM 0 HA VAL A 60 17.439 -16.666 -18.943 1.00 20.31 H new ATOM 0 HB VAL A 60 15.519 -18.431 -17.365 1.00 24.02 H new ATOM 0 HG11 VAL A 60 14.472 -16.314 -16.675 1.00 34.20 H new ATOM 0 HG12 VAL A 60 16.157 -16.431 -16.116 1.00 34.20 H new ATOM 0 HG13 VAL A 60 15.754 -15.410 -17.516 1.00 34.20 H new ATOM 0 HG21 VAL A 60 13.775 -17.417 -18.775 1.00 13.13 H new ATOM 0 HG22 VAL A 60 15.029 -16.559 -19.702 1.00 13.13 H new ATOM 0 HG23 VAL A 60 14.954 -18.336 -19.741 1.00 13.13 H new ATOM 906 N ASN A 61 18.993 -16.658 -17.014 1.00 42.15 N ATOM 907 CA ASN A 61 19.915 -16.610 -15.886 1.00 24.43 C ATOM 908 C ASN A 61 19.216 -16.090 -14.633 1.00 62.34 C ATOM 909 O ASN A 61 18.422 -15.152 -14.698 1.00 0.43 O ATOM 910 CB ASN A 61 21.116 -15.723 -16.219 1.00 4.24 C ATOM 911 CG ASN A 61 21.588 -15.900 -17.649 1.00 32.50 C ATOM 912 OD1 ASN A 61 21.722 -14.931 -18.395 1.00 52.52 O ATOM 913 ND2 ASN A 61 21.842 -17.145 -18.038 1.00 14.41 N ATOM 0 H ASN A 61 19.086 -15.881 -17.668 1.00 42.15 H new ATOM 0 HA ASN A 61 20.264 -17.624 -15.691 1.00 24.43 H new ATOM 0 HB2 ASN A 61 20.850 -14.679 -16.054 1.00 4.24 H new ATOM 0 HB3 ASN A 61 21.935 -15.955 -15.538 1.00 4.24 H new ATOM 0 HD21 ASN A 61 22.162 -17.327 -18.989 1.00 14.41 H new ATOM 0 HD22 ASN A 61 21.717 -17.919 -17.385 1.00 14.41 H new ATOM 920 N TYR A 62 19.517 -16.706 -13.496 1.00 23.13 N ATOM 921 CA TYR A 62 18.917 -16.307 -12.228 1.00 73.04 C ATOM 922 C TYR A 62 19.064 -14.805 -12.005 1.00 23.14 C ATOM 923 O TYR A 62 18.160 -14.153 -11.483 1.00 63.14 O ATOM 924 CB TYR A 62 19.561 -17.072 -11.071 1.00 62.12 C ATOM 925 CG TYR A 62 19.216 -16.514 -9.709 1.00 54.22 C ATOM 926 CD1 TYR A 62 17.896 -16.264 -9.353 1.00 41.54 C ATOM 927 CD2 TYR A 62 20.209 -16.237 -8.778 1.00 31.53 C ATOM 928 CE1 TYR A 62 17.576 -15.753 -8.110 1.00 41.34 C ATOM 929 CE2 TYR A 62 19.898 -15.728 -7.532 1.00 0.02 C ATOM 930 CZ TYR A 62 18.580 -15.487 -7.203 1.00 44.11 C ATOM 931 OH TYR A 62 18.266 -14.979 -5.963 1.00 75.44 O ATOM 0 H TYR A 62 20.173 -17.484 -13.426 1.00 23.13 H new ATOM 0 HA TYR A 62 17.855 -16.548 -12.266 1.00 73.04 H new ATOM 0 HB2 TYR A 62 19.247 -18.115 -11.117 1.00 62.12 H new ATOM 0 HB3 TYR A 62 20.644 -17.059 -11.196 1.00 62.12 H new ATOM 0 HD1 TYR A 62 17.107 -16.473 -10.060 1.00 41.54 H new ATOM 0 HD2 TYR A 62 21.242 -16.423 -9.033 1.00 31.53 H new ATOM 0 HE1 TYR A 62 16.545 -15.563 -7.850 1.00 41.34 H new ATOM 0 HE2 TYR A 62 20.682 -15.520 -6.819 1.00 0.02 H new ATOM 0 HH TYR A 62 19.088 -14.850 -5.445 1.00 75.44 H new ATOM 941 N GLU A 63 20.211 -14.264 -12.404 1.00 10.23 N ATOM 942 CA GLU A 63 20.478 -12.839 -12.247 1.00 13.22 C ATOM 943 C GLU A 63 19.530 -12.010 -13.109 1.00 11.23 C ATOM 944 O GLU A 63 18.984 -11.002 -12.658 1.00 23.43 O ATOM 945 CB GLU A 63 21.929 -12.525 -12.618 1.00 15.10 C ATOM 946 CG GLU A 63 22.943 -13.089 -11.638 1.00 23.31 C ATOM 947 CD GLU A 63 24.241 -12.304 -11.625 1.00 34.33 C ATOM 948 OE1 GLU A 63 24.228 -11.144 -11.163 1.00 61.13 O ATOM 949 OE2 GLU A 63 25.269 -12.851 -12.076 1.00 32.20 O ATOM 0 H GLU A 63 20.969 -14.790 -12.838 1.00 10.23 H new ATOM 0 HA GLU A 63 20.314 -12.578 -11.202 1.00 13.22 H new ATOM 0 HB2 GLU A 63 22.136 -12.924 -13.611 1.00 15.10 H new ATOM 0 HB3 GLU A 63 22.055 -11.444 -12.676 1.00 15.10 H new ATOM 0 HG2 GLU A 63 22.513 -13.090 -10.636 1.00 23.31 H new ATOM 0 HG3 GLU A 63 23.153 -14.127 -11.895 1.00 23.31 H new ATOM 956 N ASP A 64 19.340 -12.441 -14.351 1.00 12.32 N ATOM 957 CA ASP A 64 18.458 -11.740 -15.277 1.00 10.41 C ATOM 958 C ASP A 64 17.087 -11.506 -14.650 1.00 72.12 C ATOM 959 O ASP A 64 16.458 -10.471 -14.874 1.00 63.54 O ATOM 960 CB ASP A 64 18.310 -12.535 -16.575 1.00 45.31 C ATOM 961 CG ASP A 64 18.961 -11.841 -17.756 1.00 32.01 C ATOM 962 OD1 ASP A 64 18.420 -10.812 -18.212 1.00 14.35 O ATOM 963 OD2 ASP A 64 20.011 -12.327 -18.224 1.00 5.02 O ATOM 0 H ASP A 64 19.785 -13.272 -14.740 1.00 12.32 H new ATOM 0 HA ASP A 64 18.905 -10.772 -15.502 1.00 10.41 H new ATOM 0 HB2 ASP A 64 18.755 -13.522 -16.446 1.00 45.31 H new ATOM 0 HB3 ASP A 64 17.251 -12.688 -16.785 1.00 45.31 H new ATOM 968 N PHE A 65 16.628 -12.475 -13.865 1.00 2.02 N ATOM 969 CA PHE A 65 15.330 -12.376 -13.207 1.00 64.12 C ATOM 970 C PHE A 65 15.427 -11.538 -11.936 1.00 23.13 C ATOM 971 O PHE A 65 14.445 -10.939 -11.497 1.00 23.31 O ATOM 972 CB PHE A 65 14.797 -13.771 -12.873 1.00 12.41 C ATOM 973 CG PHE A 65 13.297 -13.846 -12.837 1.00 61.04 C ATOM 974 CD1 PHE A 65 12.564 -13.878 -14.013 1.00 11.43 C ATOM 975 CD2 PHE A 65 12.621 -13.886 -11.629 1.00 14.20 C ATOM 976 CE1 PHE A 65 11.184 -13.946 -13.983 1.00 31.12 C ATOM 977 CE2 PHE A 65 11.241 -13.955 -11.593 1.00 15.22 C ATOM 978 CZ PHE A 65 10.521 -13.986 -12.771 1.00 64.04 C ATOM 0 H PHE A 65 17.135 -13.338 -13.669 1.00 2.02 H new ATOM 0 HA PHE A 65 14.639 -11.885 -13.892 1.00 64.12 H new ATOM 0 HB2 PHE A 65 15.171 -14.481 -13.611 1.00 12.41 H new ATOM 0 HB3 PHE A 65 15.192 -14.080 -11.905 1.00 12.41 H new ATOM 0 HD1 PHE A 65 13.077 -13.849 -14.963 1.00 11.43 H new ATOM 0 HD2 PHE A 65 13.179 -13.863 -10.704 1.00 14.20 H new ATOM 0 HE1 PHE A 65 10.624 -13.968 -14.906 1.00 31.12 H new ATOM 0 HE2 PHE A 65 10.726 -13.985 -10.644 1.00 15.22 H new ATOM 0 HZ PHE A 65 9.443 -14.041 -12.745 1.00 64.04 H new ATOM 988 N VAL A 66 16.619 -11.501 -11.348 1.00 1.00 N ATOM 989 CA VAL A 66 16.846 -10.737 -10.127 1.00 40.43 C ATOM 990 C VAL A 66 17.010 -9.252 -10.431 1.00 44.22 C ATOM 991 O VAL A 66 16.755 -8.402 -9.578 1.00 71.23 O ATOM 992 CB VAL A 66 18.094 -11.237 -9.376 1.00 10.23 C ATOM 993 CG1 VAL A 66 18.356 -10.380 -8.146 1.00 61.34 C ATOM 994 CG2 VAL A 66 17.933 -12.700 -8.992 1.00 4.01 C ATOM 0 H VAL A 66 17.442 -11.991 -11.698 1.00 1.00 H new ATOM 0 HA VAL A 66 15.969 -10.881 -9.496 1.00 40.43 H new ATOM 0 HB VAL A 66 18.955 -11.151 -10.039 1.00 10.23 H new ATOM 0 HG11 VAL A 66 19.242 -10.748 -7.628 1.00 61.34 H new ATOM 0 HG12 VAL A 66 18.517 -9.346 -8.451 1.00 61.34 H new ATOM 0 HG13 VAL A 66 17.497 -10.431 -7.477 1.00 61.34 H new ATOM 0 HG21 VAL A 66 18.824 -13.037 -8.462 1.00 4.01 H new ATOM 0 HG22 VAL A 66 17.062 -12.813 -8.346 1.00 4.01 H new ATOM 0 HG23 VAL A 66 17.797 -13.300 -9.892 1.00 4.01 H new ATOM 1004 N GLN A 67 17.438 -8.947 -11.652 1.00 72.13 N ATOM 1005 CA GLN A 67 17.636 -7.564 -12.069 1.00 4.24 C ATOM 1006 C GLN A 67 16.310 -6.913 -12.446 1.00 34.12 C ATOM 1007 O GLN A 67 16.002 -5.807 -12.003 1.00 32.14 O ATOM 1008 CB GLN A 67 18.604 -7.499 -13.251 1.00 43.13 C ATOM 1009 CG GLN A 67 19.917 -6.805 -12.926 1.00 10.32 C ATOM 1010 CD GLN A 67 21.120 -7.701 -13.142 1.00 4.11 C ATOM 1011 OE1 GLN A 67 21.117 -8.563 -14.022 1.00 2.44 O ATOM 1012 NE2 GLN A 67 22.159 -7.502 -12.339 1.00 32.15 N ATOM 0 H GLN A 67 17.654 -9.639 -12.370 1.00 72.13 H new ATOM 0 HA GLN A 67 18.062 -7.016 -11.229 1.00 4.24 H new ATOM 0 HB2 GLN A 67 18.814 -8.512 -13.594 1.00 43.13 H new ATOM 0 HB3 GLN A 67 18.121 -6.976 -14.077 1.00 43.13 H new ATOM 0 HG2 GLN A 67 20.016 -5.914 -13.547 1.00 10.32 H new ATOM 0 HG3 GLN A 67 19.900 -6.470 -11.889 1.00 10.32 H new ATOM 0 HE21 GLN A 67 22.119 -6.777 -11.623 1.00 32.15 H new ATOM 0 HE22 GLN A 67 22.997 -8.075 -12.438 1.00 32.15 H new ATOM 1021 N MET A 68 15.528 -7.607 -13.267 1.00 3.11 N ATOM 1022 CA MET A 68 14.234 -7.096 -13.703 1.00 32.11 C ATOM 1023 C MET A 68 13.295 -6.910 -12.515 1.00 73.44 C ATOM 1024 O MET A 68 12.552 -5.932 -12.447 1.00 50.50 O ATOM 1025 CB MET A 68 13.604 -8.047 -14.723 1.00 14.34 C ATOM 1026 CG MET A 68 13.495 -7.455 -16.119 1.00 33.24 C ATOM 1027 SD MET A 68 13.834 -8.663 -17.413 1.00 61.33 S ATOM 1028 CE MET A 68 15.512 -8.221 -17.858 1.00 53.42 C ATOM 0 H MET A 68 15.768 -8.524 -13.643 1.00 3.11 H new ATOM 0 HA MET A 68 14.393 -6.125 -14.173 1.00 32.11 H new ATOM 0 HB2 MET A 68 14.196 -8.961 -14.770 1.00 14.34 H new ATOM 0 HB3 MET A 68 12.609 -8.329 -14.378 1.00 14.34 H new ATOM 0 HG2 MET A 68 12.494 -7.049 -16.260 1.00 33.24 H new ATOM 0 HG3 MET A 68 14.193 -6.623 -16.212 1.00 33.24 H new ATOM 0 HE1 MET A 68 15.864 -8.881 -18.650 1.00 53.42 H new ATOM 0 HE2 MET A 68 15.536 -7.189 -18.208 1.00 53.42 H new ATOM 0 HE3 MET A 68 16.159 -8.323 -16.986 1.00 53.42 H new ATOM 1038 N MET A 69 13.333 -7.856 -11.583 1.00 21.34 N ATOM 1039 CA MET A 69 12.486 -7.795 -10.397 1.00 75.24 C ATOM 1040 C MET A 69 12.698 -6.486 -9.644 1.00 20.00 C ATOM 1041 O MET A 69 11.739 -5.821 -9.251 1.00 41.51 O ATOM 1042 CB MET A 69 12.776 -8.981 -9.475 1.00 54.21 C ATOM 1043 CG MET A 69 11.764 -9.139 -8.352 1.00 14.21 C ATOM 1044 SD MET A 69 10.129 -9.609 -8.951 1.00 23.53 S ATOM 1045 CE MET A 69 9.083 -8.587 -7.918 1.00 12.23 C ATOM 0 H MET A 69 13.941 -8.674 -11.626 1.00 21.34 H new ATOM 0 HA MET A 69 11.446 -7.842 -10.721 1.00 75.24 H new ATOM 0 HB2 MET A 69 12.794 -9.896 -10.068 1.00 54.21 H new ATOM 0 HB3 MET A 69 13.770 -8.861 -9.043 1.00 54.21 H new ATOM 0 HG2 MET A 69 12.120 -9.893 -7.651 1.00 14.21 H new ATOM 0 HG3 MET A 69 11.689 -8.201 -7.801 1.00 14.21 H new ATOM 0 HE1 MET A 69 8.038 -8.765 -8.170 1.00 12.23 H new ATOM 0 HE2 MET A 69 9.251 -8.836 -6.870 1.00 12.23 H new ATOM 0 HE3 MET A 69 9.322 -7.537 -8.084 1.00 12.23 H new ATOM 1055 N THR A 70 13.961 -6.121 -9.445 1.00 31.13 N ATOM 1056 CA THR A 70 14.299 -4.893 -8.737 1.00 51.31 C ATOM 1057 C THR A 70 14.066 -3.670 -9.617 1.00 15.44 C ATOM 1058 O THR A 70 13.285 -2.783 -9.269 1.00 64.54 O ATOM 1059 CB THR A 70 15.766 -4.901 -8.267 1.00 52.51 C ATOM 1060 OG1 THR A 70 16.617 -5.350 -9.327 1.00 44.30 O ATOM 1061 CG2 THR A 70 15.940 -5.801 -7.053 1.00 43.24 C ATOM 0 H THR A 70 14.767 -6.659 -9.765 1.00 31.13 H new ATOM 0 HA THR A 70 13.646 -4.840 -7.865 1.00 51.31 H new ATOM 0 HB THR A 70 16.041 -3.884 -7.987 1.00 52.51 H new ATOM 0 HG1 THR A 70 16.669 -6.329 -9.313 1.00 44.30 H new ATOM 0 HG21 THR A 70 16.984 -5.791 -6.739 1.00 43.24 H new ATOM 0 HG22 THR A 70 15.313 -5.439 -6.239 1.00 43.24 H new ATOM 0 HG23 THR A 70 15.648 -6.819 -7.310 1.00 43.24 H new ATOM 1069 N ALA A 71 14.746 -3.628 -10.757 1.00 62.23 N ATOM 1070 CA ALA A 71 14.610 -2.515 -11.688 1.00 4.41 C ATOM 1071 C ALA A 71 15.441 -2.746 -12.946 1.00 2.24 C ATOM 1072 O ALA A 71 14.908 -2.798 -14.054 1.00 34.20 O ATOM 1073 CB ALA A 71 15.018 -1.212 -11.016 1.00 25.24 C ATOM 0 H ALA A 71 15.397 -4.353 -11.059 1.00 62.23 H new ATOM 0 HA ALA A 71 13.563 -2.447 -11.983 1.00 4.41 H new ATOM 0 HB1 ALA A 71 14.911 -0.389 -11.723 1.00 25.24 H new ATOM 0 HB2 ALA A 71 14.379 -1.033 -10.151 1.00 25.24 H new ATOM 0 HB3 ALA A 71 16.056 -1.280 -10.692 1.00 25.24 H new ATOM 1079 N LYS A 72 16.751 -2.883 -12.767 1.00 73.01 N ATOM 1080 CA LYS A 72 17.656 -3.109 -13.887 1.00 64.21 C ATOM 1081 C LYS A 72 17.358 -4.441 -14.568 1.00 22.44 C ATOM 1082 O LYS A 72 16.706 -4.452 -15.610 1.00 55.52 O ATOM 1083 CB LYS A 72 19.110 -3.083 -13.408 1.00 34.42 C ATOM 1084 CG LYS A 72 20.122 -3.037 -14.539 1.00 24.42 C ATOM 1085 CD LYS A 72 21.543 -3.189 -14.022 1.00 20.54 C ATOM 1086 CE LYS A 72 22.543 -3.301 -15.163 1.00 35.54 C ATOM 1087 NZ LYS A 72 23.123 -1.978 -15.523 1.00 70.44 N ATOM 0 H LYS A 72 17.209 -2.841 -11.857 1.00 73.01 H new ATOM 0 HA LYS A 72 17.504 -2.309 -14.611 1.00 64.21 H new ATOM 0 HB2 LYS A 72 19.256 -2.215 -12.765 1.00 34.42 H new ATOM 0 HB3 LYS A 72 19.299 -3.967 -12.798 1.00 34.42 H new ATOM 0 HG2 LYS A 72 19.907 -3.831 -15.254 1.00 24.42 H new ATOM 0 HG3 LYS A 72 20.028 -2.092 -15.075 1.00 24.42 H new ATOM 0 HD2 LYS A 72 21.797 -2.333 -13.397 1.00 20.54 H new ATOM 0 HD3 LYS A 72 21.609 -4.075 -13.391 1.00 20.54 H new ATOM 0 HE2 LYS A 72 23.344 -3.983 -14.878 1.00 35.54 H new ATOM 0 HE3 LYS A 72 22.052 -3.732 -16.035 1.00 35.54 H new ATOM 0 HZ1 LYS A 72 23.799 -2.096 -16.304 1.00 70.44 H new ATOM 0 HZ2 LYS A 72 22.362 -1.334 -15.819 1.00 70.44 H new ATOM 0 HZ3 LYS A 72 23.614 -1.578 -14.698 1.00 70.44 H new TER 1101 LYS A 72