USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 858 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 62 THR OG1 : rot -89:sc= 1.12 USER MOD Set 1.2: A 66 CYS SG : rot 177:sc= 0.713 USER MOD Set 2.1: A 4 SER OG : rot 180:sc= 0.771 USER MOD Set 2.2: A 42 TYR OH : rot 130:sc= 0.811 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0915 (180deg=0) USER MOD Single : A 5 MET CE :methyl -163:sc= -0.0856 (180deg=-0.489) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -39:sc= 0.888 USER MOD Single : A 9 SER OG : rot 83:sc= 0.829 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.267 K(o=-0.27,f=-3.8!) USER MOD Single : A 47 GLN : amide:sc= -2.13 K(o=-2.1,f=-7.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 138:sc= -1.51 (180deg=-3.69!) USER MOD Single : A 60 THR OG1 : rot 91:sc= 0.951 USER MOD Single : A 63 SER OG : rot -26:sc= 0.605 USER MOD Single : A 69 THR OG1 : rot 90:sc= 0.272 USER MOD Single : A 75 GLN :FLIP amide:sc= 0.634 F(o=-0.32,f=0.63) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -119:sc= -0.0726 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.682 F(o=-1.6!,f=-0.68) USER MOD Single : A 96 ASN : amide:sc=-0.00326 X(o=-0.0033,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 1.7 (180deg=1.7) USER MOD Single : A 105 THR OG1 : rot 126:sc= 0.87 USER MOD Single : A 111 GLN : amide:sc= 1.23 K(o=1.2,f=-0.91) USER MOD Single : A 118 THR OG1 : rot 4:sc= 0.587 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.731 0.328 1.989 1.00 43.13 N ATOM 2 CA GLY A 1 17.478 -0.845 2.504 1.00 13.41 C ATOM 3 C GLY A 1 16.892 -2.154 2.015 1.00 1.21 C ATOM 4 O GLY A 1 16.079 -2.159 1.087 1.00 3.32 O ATOM 0 H1 GLY A 1 17.392 0.987 1.531 1.00 43.13 H new ATOM 0 H2 GLY A 1 16.022 0.012 1.297 1.00 43.13 H new ATOM 0 H3 GLY A 1 16.254 0.809 2.778 1.00 43.13 H new ATOM 0 HA2 GLY A 1 18.520 -0.776 2.192 1.00 13.41 H new ATOM 0 HA3 GLY A 1 17.470 -0.829 3.594 1.00 13.41 H new ATOM 10 N PRO A 2 17.280 -3.287 2.627 1.00 63.34 N ATOM 11 CA PRO A 2 16.822 -4.614 2.205 1.00 14.34 C ATOM 12 C PRO A 2 15.400 -4.925 2.681 1.00 70.33 C ATOM 13 O PRO A 2 14.895 -4.305 3.623 1.00 2.41 O ATOM 14 CB PRO A 2 17.839 -5.550 2.866 1.00 32.42 C ATOM 15 CG PRO A 2 18.246 -4.836 4.112 1.00 74.43 C ATOM 16 CD PRO A 2 18.197 -3.362 3.786 1.00 1.05 C ATOM 0 HA PRO A 2 16.772 -4.710 1.120 1.00 14.34 H new ATOM 0 HB2 PRO A 2 17.398 -6.521 3.091 1.00 32.42 H new ATOM 0 HB3 PRO A 2 18.694 -5.731 2.215 1.00 32.42 H new ATOM 0 HG2 PRO A 2 17.573 -5.075 4.936 1.00 74.43 H new ATOM 0 HG3 PRO A 2 19.248 -5.133 4.422 1.00 74.43 H new ATOM 0 HD2 PRO A 2 17.826 -2.778 4.628 1.00 1.05 H new ATOM 0 HD3 PRO A 2 19.185 -2.974 3.540 1.00 1.05 H new ATOM 24 N GLY A 3 14.764 -5.890 2.028 1.00 45.21 N ATOM 25 CA GLY A 3 13.412 -6.277 2.382 1.00 72.34 C ATOM 26 C GLY A 3 12.864 -7.328 1.437 1.00 40.10 C ATOM 27 O GLY A 3 13.280 -8.487 1.483 1.00 13.32 O ATOM 0 H GLY A 3 15.166 -6.416 1.252 1.00 45.21 H new ATOM 0 HA2 GLY A 3 13.399 -6.662 3.402 1.00 72.34 H new ATOM 0 HA3 GLY A 3 12.766 -5.399 2.364 1.00 72.34 H new ATOM 31 N SER A 4 11.942 -6.921 0.570 1.00 2.25 N ATOM 32 CA SER A 4 11.328 -7.824 -0.398 1.00 75.34 C ATOM 33 C SER A 4 10.800 -7.029 -1.587 1.00 12.32 C ATOM 34 O SER A 4 10.697 -5.801 -1.520 1.00 24.34 O ATOM 35 CB SER A 4 10.185 -8.606 0.261 1.00 35.24 C ATOM 36 OG SER A 4 10.641 -9.316 1.399 1.00 61.43 O ATOM 0 H SER A 4 11.601 -5.961 0.518 1.00 2.25 H new ATOM 0 HA SER A 4 12.080 -8.531 -0.749 1.00 75.34 H new ATOM 0 HB2 SER A 4 9.391 -7.919 0.552 1.00 35.24 H new ATOM 0 HB3 SER A 4 9.756 -9.303 -0.458 1.00 35.24 H new ATOM 0 HG SER A 4 9.892 -9.801 1.804 1.00 61.43 H new ATOM 42 N MET A 5 10.483 -7.723 -2.676 1.00 11.44 N ATOM 43 CA MET A 5 9.899 -7.084 -3.851 1.00 3.15 C ATOM 44 C MET A 5 8.377 -7.154 -3.769 1.00 43.15 C ATOM 45 O MET A 5 7.720 -6.136 -3.564 1.00 61.52 O ATOM 46 CB MET A 5 10.405 -7.750 -5.141 1.00 63.34 C ATOM 47 CG MET A 5 11.912 -7.636 -5.341 1.00 75.42 C ATOM 48 SD MET A 5 12.465 -8.328 -6.914 1.00 41.20 S ATOM 49 CE MET A 5 11.978 -10.045 -6.735 1.00 1.42 C ATOM 0 H MET A 5 10.621 -8.729 -2.769 1.00 11.44 H new ATOM 0 HA MET A 5 10.205 -6.038 -3.874 1.00 3.15 H new ATOM 0 HB2 MET A 5 10.128 -8.804 -5.127 1.00 63.34 H new ATOM 0 HB3 MET A 5 9.899 -7.299 -5.995 1.00 63.34 H new ATOM 0 HG2 MET A 5 12.202 -6.587 -5.289 1.00 75.42 H new ATOM 0 HG3 MET A 5 12.422 -8.148 -4.525 1.00 75.42 H new ATOM 0 HE1 MET A 5 12.507 -10.652 -7.470 1.00 1.42 H new ATOM 0 HE2 MET A 5 12.227 -10.391 -5.732 1.00 1.42 H new ATOM 0 HE3 MET A 5 10.904 -10.137 -6.894 1.00 1.42 H new ATOM 59 N SER A 6 7.838 -8.370 -3.908 1.00 21.23 N ATOM 60 CA SER A 6 6.399 -8.635 -3.789 1.00 50.35 C ATOM 61 C SER A 6 5.599 -8.069 -4.973 1.00 45.45 C ATOM 62 O SER A 6 4.881 -8.810 -5.647 1.00 75.35 O ATOM 63 CB SER A 6 5.858 -8.094 -2.454 1.00 2.41 C ATOM 64 OG SER A 6 6.540 -8.684 -1.357 1.00 41.01 O ATOM 0 H SER A 6 8.391 -9.204 -4.107 1.00 21.23 H new ATOM 0 HA SER A 6 6.269 -9.717 -3.808 1.00 50.35 H new ATOM 0 HB2 SER A 6 5.976 -7.011 -2.421 1.00 2.41 H new ATOM 0 HB3 SER A 6 4.791 -8.301 -2.378 1.00 2.41 H new ATOM 0 HG SER A 6 6.182 -8.325 -0.518 1.00 41.01 H new ATOM 70 N GLU A 7 5.724 -6.765 -5.217 1.00 73.32 N ATOM 71 CA GLU A 7 5.000 -6.099 -6.297 1.00 53.54 C ATOM 72 C GLU A 7 5.378 -6.705 -7.656 1.00 52.04 C ATOM 73 O GLU A 7 6.532 -7.072 -7.876 1.00 22.31 O ATOM 74 CB GLU A 7 5.308 -4.589 -6.281 1.00 3.45 C ATOM 75 CG GLU A 7 4.095 -3.693 -6.531 1.00 72.11 C ATOM 76 CD GLU A 7 3.313 -4.080 -7.779 1.00 74.43 C ATOM 77 OE1 GLU A 7 2.413 -4.942 -7.676 1.00 11.33 O ATOM 78 OE2 GLU A 7 3.609 -3.553 -8.867 1.00 55.32 O ATOM 0 H GLU A 7 6.326 -6.145 -4.675 1.00 73.32 H new ATOM 0 HA GLU A 7 3.931 -6.246 -6.143 1.00 53.54 H new ATOM 0 HB2 GLU A 7 5.743 -4.330 -5.316 1.00 3.45 H new ATOM 0 HB3 GLU A 7 6.063 -4.377 -7.038 1.00 3.45 H new ATOM 0 HG2 GLU A 7 3.433 -3.738 -5.666 1.00 72.11 H new ATOM 0 HG3 GLU A 7 4.428 -2.659 -6.624 1.00 72.11 H new ATOM 85 N THR A 8 4.400 -6.804 -8.556 1.00 24.43 N ATOM 86 CA THR A 8 4.620 -7.397 -9.872 1.00 12.42 C ATOM 87 C THR A 8 3.491 -7.025 -10.849 1.00 73.01 C ATOM 88 O THR A 8 3.309 -7.678 -11.880 1.00 45.24 O ATOM 89 CB THR A 8 4.738 -8.943 -9.757 1.00 71.53 C ATOM 90 OG1 THR A 8 5.056 -9.525 -11.032 1.00 4.41 O ATOM 91 CG2 THR A 8 3.445 -9.558 -9.224 1.00 12.11 C ATOM 0 H THR A 8 3.446 -6.480 -8.396 1.00 24.43 H new ATOM 0 HA THR A 8 5.554 -6.997 -10.265 1.00 12.42 H new ATOM 0 HB THR A 8 5.543 -9.158 -9.054 1.00 71.53 H new ATOM 0 HG1 THR A 8 4.561 -9.058 -11.737 1.00 4.41 H new ATOM 0 HG21 THR A 8 3.558 -10.640 -9.155 1.00 12.11 H new ATOM 0 HG22 THR A 8 3.229 -9.152 -8.236 1.00 12.11 H new ATOM 0 HG23 THR A 8 2.624 -9.322 -9.901 1.00 12.11 H new ATOM 99 N SER A 9 2.766 -5.944 -10.553 1.00 34.15 N ATOM 100 CA SER A 9 1.600 -5.553 -11.354 1.00 33.34 C ATOM 101 C SER A 9 2.004 -4.762 -12.604 1.00 11.31 C ATOM 102 O SER A 9 1.168 -4.090 -13.221 1.00 72.22 O ATOM 103 CB SER A 9 0.632 -4.731 -10.496 1.00 52.33 C ATOM 104 OG SER A 9 0.193 -5.477 -9.370 1.00 21.04 O ATOM 0 H SER A 9 2.964 -5.324 -9.767 1.00 34.15 H new ATOM 0 HA SER A 9 1.106 -6.464 -11.691 1.00 33.34 H new ATOM 0 HB2 SER A 9 1.122 -3.816 -10.162 1.00 52.33 H new ATOM 0 HB3 SER A 9 -0.227 -4.431 -11.096 1.00 52.33 H new ATOM 0 HG SER A 9 0.858 -5.410 -8.654 1.00 21.04 H new ATOM 110 N ALA A 10 3.274 -4.862 -12.990 1.00 44.12 N ATOM 111 CA ALA A 10 3.790 -4.157 -14.160 1.00 63.11 C ATOM 112 C ALA A 10 4.841 -5.007 -14.884 1.00 52.44 C ATOM 113 O ALA A 10 5.422 -5.917 -14.284 1.00 1.23 O ATOM 114 CB ALA A 10 4.377 -2.811 -13.735 1.00 44.41 C ATOM 0 H ALA A 10 3.969 -5.429 -12.505 1.00 44.12 H new ATOM 0 HA ALA A 10 2.970 -3.978 -14.855 1.00 63.11 H new ATOM 0 HB1 ALA A 10 4.761 -2.288 -14.611 1.00 44.41 H new ATOM 0 HB2 ALA A 10 3.601 -2.208 -13.264 1.00 44.41 H new ATOM 0 HB3 ALA A 10 5.189 -2.976 -13.026 1.00 44.41 H new ATOM 120 N PRO A 11 5.082 -4.736 -16.190 1.00 73.22 N ATOM 121 CA PRO A 11 6.108 -5.446 -16.979 1.00 74.20 C ATOM 122 C PRO A 11 7.525 -5.165 -16.466 1.00 64.11 C ATOM 123 O PRO A 11 7.710 -4.356 -15.565 1.00 65.24 O ATOM 124 CB PRO A 11 5.913 -4.896 -18.402 1.00 42.45 C ATOM 125 CG PRO A 11 5.241 -3.580 -18.216 1.00 15.05 C ATOM 126 CD PRO A 11 4.363 -3.737 -17.005 1.00 72.30 C ATOM 0 HA PRO A 11 5.999 -6.529 -16.920 1.00 74.20 H new ATOM 0 HB2 PRO A 11 6.868 -4.783 -18.916 1.00 42.45 H new ATOM 0 HB3 PRO A 11 5.304 -5.569 -19.005 1.00 42.45 H new ATOM 0 HG2 PRO A 11 5.972 -2.785 -18.069 1.00 15.05 H new ATOM 0 HG3 PRO A 11 4.653 -3.314 -19.094 1.00 15.05 H new ATOM 0 HD2 PRO A 11 4.242 -2.794 -16.471 1.00 72.30 H new ATOM 0 HD3 PRO A 11 3.364 -4.081 -17.274 1.00 72.30 H new ATOM 134 N ALA A 12 8.520 -5.813 -17.071 1.00 73.41 N ATOM 135 CA ALA A 12 9.903 -5.778 -16.580 1.00 74.23 C ATOM 136 C ALA A 12 10.417 -4.351 -16.331 1.00 14.34 C ATOM 137 O ALA A 12 10.704 -3.976 -15.188 1.00 43.41 O ATOM 138 CB ALA A 12 10.821 -6.507 -17.557 1.00 25.21 C ATOM 0 H ALA A 12 8.394 -6.376 -17.912 1.00 73.41 H new ATOM 0 HA ALA A 12 9.910 -6.285 -15.615 1.00 74.23 H new ATOM 0 HB1 ALA A 12 11.845 -6.477 -17.186 1.00 25.21 H new ATOM 0 HB2 ALA A 12 10.500 -7.544 -17.653 1.00 25.21 H new ATOM 0 HB3 ALA A 12 10.774 -6.021 -18.532 1.00 25.21 H new ATOM 144 N GLU A 13 10.522 -3.559 -17.398 1.00 14.02 N ATOM 145 CA GLU A 13 11.119 -2.223 -17.310 1.00 51.32 C ATOM 146 C GLU A 13 10.282 -1.309 -16.418 1.00 55.42 C ATOM 147 O GLU A 13 10.812 -0.607 -15.549 1.00 33.55 O ATOM 148 CB GLU A 13 11.263 -1.577 -18.701 1.00 73.53 C ATOM 149 CG GLU A 13 12.169 -2.331 -19.671 1.00 74.34 C ATOM 150 CD GLU A 13 11.575 -3.644 -20.151 1.00 41.11 C ATOM 151 OE1 GLU A 13 10.402 -3.651 -20.585 1.00 52.52 O ATOM 152 OE2 GLU A 13 12.280 -4.671 -20.117 1.00 55.13 O ATOM 0 H GLU A 13 10.203 -3.817 -18.332 1.00 14.02 H new ATOM 0 HA GLU A 13 12.111 -2.346 -16.874 1.00 51.32 H new ATOM 0 HB2 GLU A 13 10.273 -1.487 -19.148 1.00 73.53 H new ATOM 0 HB3 GLU A 13 11.650 -0.566 -18.577 1.00 73.53 H new ATOM 0 HG2 GLU A 13 12.374 -1.696 -20.533 1.00 74.34 H new ATOM 0 HG3 GLU A 13 13.125 -2.529 -19.186 1.00 74.34 H new ATOM 159 N GLU A 14 8.975 -1.329 -16.651 1.00 62.40 N ATOM 160 CA GLU A 14 8.031 -0.468 -15.945 1.00 23.12 C ATOM 161 C GLU A 14 8.036 -0.772 -14.448 1.00 75.53 C ATOM 162 O GLU A 14 8.124 0.137 -13.619 1.00 34.13 O ATOM 163 CB GLU A 14 6.629 -0.662 -16.542 1.00 14.32 C ATOM 164 CG GLU A 14 5.552 0.251 -15.966 1.00 5.35 C ATOM 165 CD GLU A 14 4.266 0.207 -16.784 1.00 73.41 C ATOM 166 OE1 GLU A 14 4.171 0.952 -17.785 1.00 25.13 O ATOM 167 OE2 GLU A 14 3.356 -0.577 -16.448 1.00 44.24 O ATOM 0 H GLU A 14 8.538 -1.944 -17.337 1.00 62.40 H new ATOM 0 HA GLU A 14 8.330 0.573 -16.068 1.00 23.12 H new ATOM 0 HB2 GLU A 14 6.683 -0.501 -17.619 1.00 14.32 H new ATOM 0 HB3 GLU A 14 6.326 -1.698 -16.390 1.00 14.32 H new ATOM 0 HG2 GLU A 14 5.338 -0.044 -14.939 1.00 5.35 H new ATOM 0 HG3 GLU A 14 5.925 1.275 -15.932 1.00 5.35 H new ATOM 174 N LEU A 15 7.979 -2.060 -14.119 1.00 75.13 N ATOM 175 CA LEU A 15 7.933 -2.510 -12.732 1.00 63.43 C ATOM 176 C LEU A 15 9.150 -1.997 -11.973 1.00 61.25 C ATOM 177 O LEU A 15 9.012 -1.423 -10.906 1.00 72.42 O ATOM 178 CB LEU A 15 7.853 -4.052 -12.671 1.00 62.34 C ATOM 179 CG LEU A 15 7.553 -4.691 -11.291 1.00 12.43 C ATOM 180 CD1 LEU A 15 8.791 -4.716 -10.391 1.00 13.52 C ATOM 181 CD2 LEU A 15 6.393 -3.970 -10.601 1.00 73.25 C ATOM 0 H LEU A 15 7.963 -2.817 -14.803 1.00 75.13 H new ATOM 0 HA LEU A 15 7.039 -2.105 -12.258 1.00 63.43 H new ATOM 0 HB2 LEU A 15 7.082 -4.378 -13.369 1.00 62.34 H new ATOM 0 HB3 LEU A 15 8.800 -4.454 -13.031 1.00 62.34 H new ATOM 0 HG LEU A 15 7.261 -5.726 -11.468 1.00 12.43 H new ATOM 0 HD11 LEU A 15 8.536 -5.172 -9.434 1.00 13.52 H new ATOM 0 HD12 LEU A 15 9.578 -5.297 -10.871 1.00 13.52 H new ATOM 0 HD13 LEU A 15 9.141 -3.697 -10.226 1.00 13.52 H new ATOM 0 HD21 LEU A 15 6.199 -4.435 -9.634 1.00 73.25 H new ATOM 0 HD22 LEU A 15 6.652 -2.921 -10.454 1.00 73.25 H new ATOM 0 HD23 LEU A 15 5.500 -4.040 -11.222 1.00 73.25 H new ATOM 193 N LEU A 16 10.335 -2.186 -12.546 1.00 4.12 N ATOM 194 CA LEU A 16 11.582 -1.824 -11.870 1.00 13.25 C ATOM 195 C LEU A 16 11.560 -0.366 -11.396 1.00 52.13 C ATOM 196 O LEU A 16 11.647 -0.087 -10.194 1.00 15.20 O ATOM 197 CB LEU A 16 12.778 -2.058 -12.807 1.00 50.15 C ATOM 198 CG LEU A 16 14.157 -1.733 -12.208 1.00 52.11 C ATOM 199 CD1 LEU A 16 14.415 -2.563 -10.951 1.00 23.33 C ATOM 200 CD2 LEU A 16 15.263 -1.956 -13.237 1.00 22.12 C ATOM 0 H LEU A 16 10.461 -2.587 -13.475 1.00 4.12 H new ATOM 0 HA LEU A 16 11.684 -2.460 -10.991 1.00 13.25 H new ATOM 0 HB2 LEU A 16 12.774 -3.102 -13.121 1.00 50.15 H new ATOM 0 HB3 LEU A 16 12.639 -1.455 -13.704 1.00 50.15 H new ATOM 0 HG LEU A 16 14.161 -0.680 -11.926 1.00 52.11 H new ATOM 0 HD11 LEU A 16 15.396 -2.315 -10.546 1.00 23.33 H new ATOM 0 HD12 LEU A 16 13.649 -2.344 -10.207 1.00 23.33 H new ATOM 0 HD13 LEU A 16 14.384 -3.623 -11.202 1.00 23.33 H new ATOM 0 HD21 LEU A 16 16.229 -1.720 -12.790 1.00 22.12 H new ATOM 0 HD22 LEU A 16 15.257 -2.998 -13.558 1.00 22.12 H new ATOM 0 HD23 LEU A 16 15.094 -1.310 -14.099 1.00 22.12 H new ATOM 212 N ALA A 17 11.403 0.552 -12.340 1.00 74.50 N ATOM 213 CA ALA A 17 11.462 1.980 -12.045 1.00 1.44 C ATOM 214 C ALA A 17 10.289 2.413 -11.165 1.00 75.42 C ATOM 215 O ALA A 17 10.469 3.133 -10.172 1.00 71.30 O ATOM 216 CB ALA A 17 11.485 2.782 -13.344 1.00 4.43 C ATOM 0 H ALA A 17 11.233 0.333 -13.322 1.00 74.50 H new ATOM 0 HA ALA A 17 12.380 2.177 -11.492 1.00 1.44 H new ATOM 0 HB1 ALA A 17 11.529 3.846 -13.114 1.00 4.43 H new ATOM 0 HB2 ALA A 17 12.360 2.501 -13.930 1.00 4.43 H new ATOM 0 HB3 ALA A 17 10.582 2.572 -13.917 1.00 4.43 H new ATOM 222 N ASP A 18 9.092 1.948 -11.513 1.00 73.10 N ATOM 223 CA ASP A 18 7.884 2.395 -10.829 1.00 50.32 C ATOM 224 C ASP A 18 7.832 1.847 -9.409 1.00 34.34 C ATOM 225 O ASP A 18 7.470 2.560 -8.475 1.00 13.33 O ATOM 226 CB ASP A 18 6.624 1.990 -11.600 1.00 40.42 C ATOM 227 CG ASP A 18 5.428 2.830 -11.189 1.00 41.34 C ATOM 228 OD1 ASP A 18 4.624 2.384 -10.351 1.00 64.23 O ATOM 229 OD2 ASP A 18 5.312 3.970 -11.695 1.00 52.00 O ATOM 0 H ASP A 18 8.934 1.269 -12.257 1.00 73.10 H new ATOM 0 HA ASP A 18 7.917 3.483 -10.782 1.00 50.32 H new ATOM 0 HB2 ASP A 18 6.799 2.102 -12.670 1.00 40.42 H new ATOM 0 HB3 ASP A 18 6.409 0.936 -11.421 1.00 40.42 H new ATOM 234 N VAL A 19 8.212 0.580 -9.243 1.00 11.42 N ATOM 235 CA VAL A 19 8.250 -0.024 -7.917 1.00 62.01 C ATOM 236 C VAL A 19 9.372 0.605 -7.103 1.00 34.52 C ATOM 237 O VAL A 19 9.260 0.735 -5.890 1.00 51.23 O ATOM 238 CB VAL A 19 8.421 -1.573 -7.945 1.00 73.31 C ATOM 239 CG1 VAL A 19 9.880 -1.990 -8.132 1.00 43.03 C ATOM 240 CG2 VAL A 19 7.842 -2.196 -6.679 1.00 11.15 C ATOM 0 H VAL A 19 8.494 -0.040 -10.002 1.00 11.42 H new ATOM 0 HA VAL A 19 7.283 0.172 -7.454 1.00 62.01 H new ATOM 0 HB VAL A 19 7.868 -1.945 -8.808 1.00 73.31 H new ATOM 0 HG11 VAL A 19 9.949 -3.078 -8.145 1.00 43.03 H new ATOM 0 HG12 VAL A 19 10.254 -1.591 -9.075 1.00 43.03 H new ATOM 0 HG13 VAL A 19 10.479 -1.599 -7.309 1.00 43.03 H new ATOM 0 HG21 VAL A 19 7.970 -3.278 -6.715 1.00 11.15 H new ATOM 0 HG22 VAL A 19 8.361 -1.798 -5.807 1.00 11.15 H new ATOM 0 HG23 VAL A 19 6.781 -1.958 -6.609 1.00 11.15 H new ATOM 250 N GLU A 20 10.460 0.991 -7.775 1.00 52.52 N ATOM 251 CA GLU A 20 11.524 1.737 -7.113 1.00 51.42 C ATOM 252 C GLU A 20 10.937 2.998 -6.484 1.00 5.04 C ATOM 253 O GLU A 20 11.173 3.288 -5.310 1.00 52.15 O ATOM 254 CB GLU A 20 12.639 2.103 -8.101 1.00 33.12 C ATOM 255 CG GLU A 20 13.792 2.874 -7.468 1.00 44.30 C ATOM 256 CD GLU A 20 14.874 3.244 -8.468 1.00 55.11 C ATOM 257 OE1 GLU A 20 15.823 2.451 -8.647 1.00 75.35 O ATOM 258 OE2 GLU A 20 14.782 4.329 -9.081 1.00 2.53 O ATOM 0 H GLU A 20 10.623 0.801 -8.764 1.00 52.52 H new ATOM 0 HA GLU A 20 11.963 1.111 -6.336 1.00 51.42 H new ATOM 0 HB2 GLU A 20 13.028 1.189 -8.550 1.00 33.12 H new ATOM 0 HB3 GLU A 20 12.215 2.700 -8.909 1.00 33.12 H new ATOM 0 HG2 GLU A 20 13.405 3.782 -7.006 1.00 44.30 H new ATOM 0 HG3 GLU A 20 14.230 2.273 -6.671 1.00 44.30 H new ATOM 265 N GLU A 21 10.154 3.731 -7.276 1.00 34.44 N ATOM 266 CA GLU A 21 9.456 4.917 -6.781 1.00 32.12 C ATOM 267 C GLU A 21 8.474 4.557 -5.661 1.00 32.01 C ATOM 268 O GLU A 21 8.498 5.161 -4.591 1.00 45.42 O ATOM 269 CB GLU A 21 8.722 5.621 -7.931 1.00 33.40 C ATOM 270 CG GLU A 21 9.654 6.334 -8.904 1.00 32.44 C ATOM 271 CD GLU A 21 10.409 7.485 -8.251 1.00 12.54 C ATOM 272 OE1 GLU A 21 11.604 7.323 -7.922 1.00 3.12 O ATOM 273 OE2 GLU A 21 9.807 8.564 -8.068 1.00 44.14 O ATOM 0 H GLU A 21 9.988 3.525 -8.261 1.00 34.44 H new ATOM 0 HA GLU A 21 10.200 5.598 -6.367 1.00 32.12 H new ATOM 0 HB2 GLU A 21 8.132 4.886 -8.479 1.00 33.40 H new ATOM 0 HB3 GLU A 21 8.022 6.345 -7.515 1.00 33.40 H new ATOM 0 HG2 GLU A 21 10.369 5.618 -9.308 1.00 32.44 H new ATOM 0 HG3 GLU A 21 9.074 6.715 -9.745 1.00 32.44 H new ATOM 280 N ALA A 22 7.628 3.561 -5.907 1.00 44.42 N ATOM 281 CA ALA A 22 6.601 3.156 -4.944 1.00 22.20 C ATOM 282 C ALA A 22 7.220 2.796 -3.596 1.00 53.25 C ATOM 283 O ALA A 22 6.795 3.284 -2.550 1.00 43.21 O ATOM 284 CB ALA A 22 5.793 1.985 -5.493 1.00 60.04 C ATOM 0 H ALA A 22 7.631 3.015 -6.769 1.00 44.42 H new ATOM 0 HA ALA A 22 5.931 4.001 -4.788 1.00 22.20 H new ATOM 0 HB1 ALA A 22 5.034 1.695 -4.767 1.00 60.04 H new ATOM 0 HB2 ALA A 22 5.310 2.281 -6.424 1.00 60.04 H new ATOM 0 HB3 ALA A 22 6.457 1.141 -5.681 1.00 60.04 H new ATOM 290 N MET A 23 8.248 1.967 -3.638 1.00 54.30 N ATOM 291 CA MET A 23 8.962 1.534 -2.442 1.00 61.43 C ATOM 292 C MET A 23 9.712 2.708 -1.806 1.00 11.23 C ATOM 293 O MET A 23 10.187 2.617 -0.679 1.00 11.13 O ATOM 294 CB MET A 23 9.944 0.415 -2.803 1.00 33.43 C ATOM 295 CG MET A 23 9.279 -0.859 -3.315 1.00 1.12 C ATOM 296 SD MET A 23 8.162 -1.606 -2.113 1.00 53.31 S ATOM 297 CE MET A 23 7.590 -3.030 -3.040 1.00 61.21 C ATOM 0 H MET A 23 8.615 1.572 -4.504 1.00 54.30 H new ATOM 0 HA MET A 23 8.238 1.158 -1.719 1.00 61.43 H new ATOM 0 HB2 MET A 23 10.633 0.783 -3.563 1.00 33.43 H new ATOM 0 HB3 MET A 23 10.540 0.172 -1.923 1.00 33.43 H new ATOM 0 HG2 MET A 23 8.724 -0.632 -4.225 1.00 1.12 H new ATOM 0 HG3 MET A 23 10.050 -1.581 -3.584 1.00 1.12 H new ATOM 0 HE1 MET A 23 6.887 -3.601 -2.433 1.00 61.21 H new ATOM 0 HE2 MET A 23 7.094 -2.696 -3.951 1.00 61.21 H new ATOM 0 HE3 MET A 23 8.440 -3.660 -3.300 1.00 61.21 H new ATOM 307 N ARG A 24 9.826 3.795 -2.557 1.00 70.14 N ATOM 308 CA ARG A 24 10.514 5.006 -2.111 1.00 53.43 C ATOM 309 C ARG A 24 9.507 6.021 -1.563 1.00 21.32 C ATOM 310 O ARG A 24 9.886 7.034 -0.970 1.00 33.40 O ATOM 311 CB ARG A 24 11.277 5.584 -3.316 1.00 22.42 C ATOM 312 CG ARG A 24 11.933 6.941 -3.099 1.00 43.23 C ATOM 313 CD ARG A 24 12.505 7.478 -4.409 1.00 42.23 C ATOM 314 NE ARG A 24 13.042 8.830 -4.269 1.00 12.21 N ATOM 315 CZ ARG A 24 12.956 9.774 -5.208 1.00 62.44 C ATOM 316 NH1 ARG A 24 12.341 9.528 -6.360 1.00 62.53 N ATOM 317 NH2 ARG A 24 13.491 10.968 -4.995 1.00 61.25 N ATOM 0 H ARG A 24 9.442 3.865 -3.499 1.00 70.14 H new ATOM 0 HA ARG A 24 11.211 4.774 -1.306 1.00 53.43 H new ATOM 0 HB2 ARG A 24 12.048 4.872 -3.609 1.00 22.42 H new ATOM 0 HB3 ARG A 24 10.585 5.666 -4.154 1.00 22.42 H new ATOM 0 HG2 ARG A 24 11.202 7.644 -2.700 1.00 43.23 H new ATOM 0 HG3 ARG A 24 12.728 6.852 -2.358 1.00 43.23 H new ATOM 0 HD2 ARG A 24 13.293 6.811 -4.759 1.00 42.23 H new ATOM 0 HD3 ARG A 24 11.725 7.477 -5.171 1.00 42.23 H new ATOM 0 HE ARG A 24 13.513 9.068 -3.396 1.00 12.21 H new ATOM 0 HH11 ARG A 24 11.929 8.611 -6.533 1.00 62.53 H new ATOM 0 HH12 ARG A 24 12.281 10.256 -7.072 1.00 62.53 H new ATOM 0 HH21 ARG A 24 13.967 11.164 -4.115 1.00 61.25 H new ATOM 0 HH22 ARG A 24 13.426 11.691 -5.712 1.00 61.25 H new ATOM 331 N ASP A 25 8.217 5.725 -1.731 1.00 52.23 N ATOM 332 CA ASP A 25 7.161 6.676 -1.380 1.00 20.33 C ATOM 333 C ASP A 25 6.251 6.079 -0.311 1.00 41.25 C ATOM 334 O ASP A 25 5.658 6.790 0.498 1.00 51.51 O ATOM 335 CB ASP A 25 6.352 7.034 -2.639 1.00 13.35 C ATOM 336 CG ASP A 25 5.418 8.217 -2.434 1.00 41.11 C ATOM 337 OD1 ASP A 25 5.917 9.317 -2.106 1.00 14.43 O ATOM 338 OD2 ASP A 25 4.196 8.070 -2.640 1.00 3.03 O ATOM 0 H ASP A 25 7.879 4.839 -2.106 1.00 52.23 H new ATOM 0 HA ASP A 25 7.611 7.584 -0.979 1.00 20.33 H new ATOM 0 HB2 ASP A 25 7.040 7.260 -3.454 1.00 13.35 H new ATOM 0 HB3 ASP A 25 5.768 6.167 -2.946 1.00 13.35 H new ATOM 343 N VAL A 26 6.182 4.755 -0.305 1.00 43.55 N ATOM 344 CA VAL A 26 5.352 4.004 0.621 1.00 74.01 C ATOM 345 C VAL A 26 6.127 3.643 1.896 1.00 40.32 C ATOM 346 O VAL A 26 5.556 3.581 2.988 1.00 63.20 O ATOM 347 CB VAL A 26 4.844 2.721 -0.080 1.00 3.21 C ATOM 348 CG1 VAL A 26 4.226 1.754 0.912 1.00 2.30 C ATOM 349 CG2 VAL A 26 3.848 3.075 -1.188 1.00 44.20 C ATOM 0 H VAL A 26 6.708 4.167 -0.952 1.00 43.55 H new ATOM 0 HA VAL A 26 4.505 4.624 0.915 1.00 74.01 H new ATOM 0 HB VAL A 26 5.703 2.224 -0.531 1.00 3.21 H new ATOM 0 HG11 VAL A 26 3.880 0.864 0.386 1.00 2.30 H new ATOM 0 HG12 VAL A 26 4.971 1.469 1.655 1.00 2.30 H new ATOM 0 HG13 VAL A 26 3.382 2.233 1.409 1.00 2.30 H new ATOM 0 HG21 VAL A 26 3.501 2.161 -1.671 1.00 44.20 H new ATOM 0 HG22 VAL A 26 2.998 3.604 -0.757 1.00 44.20 H new ATOM 0 HG23 VAL A 26 4.336 3.712 -1.926 1.00 44.20 H new ATOM 359 N VAL A 27 7.430 3.412 1.747 1.00 62.33 N ATOM 360 CA VAL A 27 8.288 3.029 2.872 1.00 43.22 C ATOM 361 C VAL A 27 8.564 4.247 3.764 1.00 32.43 C ATOM 362 O VAL A 27 8.172 5.364 3.421 1.00 52.43 O ATOM 363 CB VAL A 27 9.630 2.440 2.356 1.00 31.13 C ATOM 364 CG1 VAL A 27 10.659 3.538 2.082 1.00 41.25 C ATOM 365 CG2 VAL A 27 10.183 1.399 3.318 1.00 73.13 C ATOM 0 H VAL A 27 7.919 3.483 0.855 1.00 62.33 H new ATOM 0 HA VAL A 27 7.772 2.267 3.456 1.00 43.22 H new ATOM 0 HB VAL A 27 9.422 1.942 1.409 1.00 31.13 H new ATOM 0 HG11 VAL A 27 11.584 3.088 1.723 1.00 41.25 H new ATOM 0 HG12 VAL A 27 10.270 4.221 1.326 1.00 41.25 H new ATOM 0 HG13 VAL A 27 10.857 4.089 3.001 1.00 41.25 H new ATOM 0 HG21 VAL A 27 11.122 1.006 2.928 1.00 73.13 H new ATOM 0 HG22 VAL A 27 10.358 1.859 4.291 1.00 73.13 H new ATOM 0 HG23 VAL A 27 9.466 0.585 3.425 1.00 73.13 H new ATOM 375 N ASP A 28 9.233 4.043 4.905 1.00 20.44 N ATOM 376 CA ASP A 28 9.652 5.168 5.745 1.00 43.31 C ATOM 377 C ASP A 28 11.146 5.418 5.563 1.00 4.44 C ATOM 378 O ASP A 28 11.971 4.755 6.192 1.00 20.25 O ATOM 379 CB ASP A 28 9.347 4.919 7.230 1.00 34.44 C ATOM 380 CG ASP A 28 9.779 6.091 8.109 1.00 53.03 C ATOM 381 OD1 ASP A 28 8.976 7.035 8.286 1.00 13.11 O ATOM 382 OD2 ASP A 28 10.924 6.079 8.622 1.00 24.54 O ATOM 0 H ASP A 28 9.492 3.124 5.263 1.00 20.44 H new ATOM 0 HA ASP A 28 9.086 6.045 5.431 1.00 43.31 H new ATOM 0 HB2 ASP A 28 8.278 4.746 7.356 1.00 34.44 H new ATOM 0 HB3 ASP A 28 9.857 4.013 7.558 1.00 34.44 H new ATOM 387 N PRO A 29 11.521 6.367 4.686 1.00 74.12 N ATOM 388 CA PRO A 29 12.916 6.700 4.439 1.00 70.00 C ATOM 389 C PRO A 29 13.416 7.788 5.389 1.00 51.34 C ATOM 390 O PRO A 29 14.548 8.265 5.272 1.00 60.51 O ATOM 391 CB PRO A 29 12.891 7.181 2.983 1.00 12.34 C ATOM 392 CG PRO A 29 11.511 7.733 2.761 1.00 53.42 C ATOM 393 CD PRO A 29 10.619 7.199 3.865 1.00 32.22 C ATOM 0 HA PRO A 29 13.596 5.864 4.605 1.00 70.00 H new ATOM 0 HB2 PRO A 29 13.650 7.943 2.809 1.00 12.34 H new ATOM 0 HB3 PRO A 29 13.100 6.361 2.296 1.00 12.34 H new ATOM 0 HG2 PRO A 29 11.528 8.823 2.776 1.00 53.42 H new ATOM 0 HG3 PRO A 29 11.132 7.434 1.784 1.00 53.42 H new ATOM 0 HD2 PRO A 29 10.181 8.008 4.450 1.00 32.22 H new ATOM 0 HD3 PRO A 29 9.793 6.613 3.462 1.00 32.22 H new ATOM 401 N GLU A 30 12.549 8.201 6.308 1.00 2.30 N ATOM 402 CA GLU A 30 12.908 9.175 7.330 1.00 73.01 C ATOM 403 C GLU A 30 13.903 8.570 8.318 1.00 74.23 C ATOM 404 O GLU A 30 15.009 9.081 8.500 1.00 54.44 O ATOM 405 CB GLU A 30 11.656 9.679 8.058 1.00 45.41 C ATOM 406 CG GLU A 30 10.644 10.353 7.141 1.00 60.54 C ATOM 407 CD GLU A 30 11.261 11.485 6.334 1.00 61.04 C ATOM 408 OE1 GLU A 30 11.482 11.311 5.118 1.00 11.50 O ATOM 409 OE2 GLU A 30 11.560 12.547 6.920 1.00 21.24 O ATOM 0 H GLU A 30 11.585 7.872 6.365 1.00 2.30 H new ATOM 0 HA GLU A 30 13.384 10.027 6.844 1.00 73.01 H new ATOM 0 HB2 GLU A 30 11.175 8.839 8.560 1.00 45.41 H new ATOM 0 HB3 GLU A 30 11.956 10.384 8.833 1.00 45.41 H new ATOM 0 HG2 GLU A 30 10.223 9.612 6.461 1.00 60.54 H new ATOM 0 HG3 GLU A 30 9.819 10.743 7.738 1.00 60.54 H new ATOM 416 N LEU A 31 13.499 7.468 8.950 1.00 31.43 N ATOM 417 CA LEU A 31 14.357 6.750 9.894 1.00 61.42 C ATOM 418 C LEU A 31 14.779 5.404 9.313 1.00 15.23 C ATOM 419 O LEU A 31 15.653 4.726 9.856 1.00 1.33 O ATOM 420 CB LEU A 31 13.635 6.549 11.234 1.00 25.11 C ATOM 421 CG LEU A 31 13.231 7.839 11.965 1.00 12.32 C ATOM 422 CD1 LEU A 31 12.532 7.516 13.282 1.00 11.03 C ATOM 423 CD2 LEU A 31 14.448 8.729 12.207 1.00 13.50 C ATOM 0 H LEU A 31 12.577 7.051 8.824 1.00 31.43 H new ATOM 0 HA LEU A 31 15.251 7.349 10.069 1.00 61.42 H new ATOM 0 HB2 LEU A 31 12.738 5.955 11.059 1.00 25.11 H new ATOM 0 HB3 LEU A 31 14.280 5.966 11.891 1.00 25.11 H new ATOM 0 HG LEU A 31 12.532 8.383 11.330 1.00 12.32 H new ATOM 0 HD11 LEU A 31 12.254 8.443 13.784 1.00 11.03 H new ATOM 0 HD12 LEU A 31 11.636 6.928 13.084 1.00 11.03 H new ATOM 0 HD13 LEU A 31 13.206 6.945 13.921 1.00 11.03 H new ATOM 0 HD21 LEU A 31 14.138 9.636 12.726 1.00 13.50 H new ATOM 0 HD22 LEU A 31 15.175 8.193 12.817 1.00 13.50 H new ATOM 0 HD23 LEU A 31 14.901 8.994 11.252 1.00 13.50 H new ATOM 435 N GLY A 32 14.138 5.018 8.212 1.00 23.14 N ATOM 436 CA GLY A 32 14.522 3.813 7.502 1.00 5.04 C ATOM 437 C GLY A 32 13.768 2.585 7.973 1.00 30.30 C ATOM 438 O GLY A 32 14.379 1.564 8.298 1.00 21.43 O ATOM 0 H GLY A 32 13.355 5.523 7.798 1.00 23.14 H new ATOM 0 HA2 GLY A 32 14.346 3.954 6.436 1.00 5.04 H new ATOM 0 HA3 GLY A 32 15.592 3.647 7.630 1.00 5.04 H new ATOM 442 N ILE A 33 12.439 2.674 8.017 1.00 23.41 N ATOM 443 CA ILE A 33 11.612 1.520 8.375 1.00 53.21 C ATOM 444 C ILE A 33 10.917 0.986 7.130 1.00 13.02 C ATOM 445 O ILE A 33 10.426 1.756 6.295 1.00 50.33 O ATOM 446 CB ILE A 33 10.533 1.838 9.454 1.00 63.42 C ATOM 447 CG1 ILE A 33 11.171 2.277 10.788 1.00 24.40 C ATOM 448 CG2 ILE A 33 9.616 0.632 9.681 1.00 14.42 C ATOM 449 CD1 ILE A 33 11.779 3.661 10.767 1.00 1.34 C ATOM 0 H ILE A 33 11.915 3.525 7.811 1.00 23.41 H new ATOM 0 HA ILE A 33 12.287 0.779 8.803 1.00 53.21 H new ATOM 0 HB ILE A 33 9.937 2.669 9.077 1.00 63.42 H new ATOM 0 HG12 ILE A 33 10.412 2.239 11.569 1.00 24.40 H new ATOM 0 HG13 ILE A 33 11.944 1.558 11.060 1.00 24.40 H new ATOM 0 HG21 ILE A 33 8.872 0.878 10.438 1.00 14.42 H new ATOM 0 HG22 ILE A 33 9.114 0.376 8.748 1.00 14.42 H new ATOM 0 HG23 ILE A 33 10.209 -0.218 10.019 1.00 14.42 H new ATOM 0 HD11 ILE A 33 12.204 3.887 11.745 1.00 1.34 H new ATOM 0 HD12 ILE A 33 12.564 3.702 10.012 1.00 1.34 H new ATOM 0 HD13 ILE A 33 11.008 4.394 10.529 1.00 1.34 H new ATOM 461 N ASN A 34 10.850 -0.331 7.036 1.00 34.04 N ATOM 462 CA ASN A 34 10.286 -1.006 5.873 1.00 23.41 C ATOM 463 C ASN A 34 9.049 -1.793 6.289 1.00 40.31 C ATOM 464 O ASN A 34 9.156 -2.803 6.976 1.00 42.23 O ATOM 465 CB ASN A 34 11.321 -1.955 5.235 1.00 43.20 C ATOM 466 CG ASN A 34 12.618 -1.264 4.832 1.00 44.12 C ATOM 467 OD1 ASN A 34 12.631 -0.088 4.469 1.00 51.14 O ATOM 468 ND2 ASN A 34 13.719 -2.001 4.883 1.00 3.32 N ATOM 0 H ASN A 34 11.184 -0.965 7.762 1.00 34.04 H new ATOM 0 HA ASN A 34 10.009 -0.254 5.134 1.00 23.41 H new ATOM 0 HB2 ASN A 34 11.549 -2.755 5.939 1.00 43.20 H new ATOM 0 HB3 ASN A 34 10.879 -2.421 4.354 1.00 43.20 H new ATOM 0 HD21 ASN A 34 14.616 -1.596 4.616 1.00 3.32 H new ATOM 0 HD22 ASN A 34 13.669 -2.973 5.189 1.00 3.32 H new ATOM 475 N VAL A 35 7.875 -1.322 5.876 1.00 33.44 N ATOM 476 CA VAL A 35 6.611 -1.960 6.247 1.00 53.42 C ATOM 477 C VAL A 35 6.612 -3.451 5.882 1.00 75.22 C ATOM 478 O VAL A 35 6.132 -4.295 6.647 1.00 40.52 O ATOM 479 CB VAL A 35 5.407 -1.262 5.561 1.00 41.15 C ATOM 480 CG1 VAL A 35 4.086 -1.854 6.048 1.00 11.01 C ATOM 481 CG2 VAL A 35 5.454 0.250 5.796 1.00 71.23 C ATOM 0 H VAL A 35 7.771 -0.499 5.283 1.00 33.44 H new ATOM 0 HA VAL A 35 6.509 -1.861 7.328 1.00 53.42 H new ATOM 0 HB VAL A 35 5.475 -1.438 4.488 1.00 41.15 H new ATOM 0 HG11 VAL A 35 3.257 -1.349 5.553 1.00 11.01 H new ATOM 0 HG12 VAL A 35 4.055 -2.918 5.813 1.00 11.01 H new ATOM 0 HG13 VAL A 35 4.002 -1.718 7.126 1.00 11.01 H new ATOM 0 HG21 VAL A 35 4.601 0.721 5.307 1.00 71.23 H new ATOM 0 HG22 VAL A 35 5.416 0.453 6.866 1.00 71.23 H new ATOM 0 HG23 VAL A 35 6.378 0.654 5.382 1.00 71.23 H new ATOM 491 N VAL A 36 7.190 -3.769 4.725 1.00 41.13 N ATOM 492 CA VAL A 36 7.239 -5.145 4.231 1.00 3.00 C ATOM 493 C VAL A 36 7.943 -6.073 5.232 1.00 34.23 C ATOM 494 O VAL A 36 7.678 -7.275 5.273 1.00 64.41 O ATOM 495 CB VAL A 36 7.947 -5.221 2.851 1.00 21.42 C ATOM 496 CG1 VAL A 36 9.411 -4.789 2.961 1.00 30.41 C ATOM 497 CG2 VAL A 36 7.825 -6.624 2.252 1.00 3.14 C ATOM 0 H VAL A 36 7.634 -3.088 4.108 1.00 41.13 H new ATOM 0 HA VAL A 36 6.209 -5.481 4.113 1.00 3.00 H new ATOM 0 HB VAL A 36 7.448 -4.526 2.176 1.00 21.42 H new ATOM 0 HG11 VAL A 36 9.883 -4.852 1.981 1.00 30.41 H new ATOM 0 HG12 VAL A 36 9.461 -3.762 3.323 1.00 30.41 H new ATOM 0 HG13 VAL A 36 9.933 -5.445 3.658 1.00 30.41 H new ATOM 0 HG21 VAL A 36 8.329 -6.652 1.286 1.00 3.14 H new ATOM 0 HG22 VAL A 36 8.287 -7.348 2.923 1.00 3.14 H new ATOM 0 HG23 VAL A 36 6.772 -6.873 2.120 1.00 3.14 H new ATOM 507 N ASP A 37 8.809 -5.491 6.063 1.00 61.41 N ATOM 508 CA ASP A 37 9.593 -6.251 7.040 1.00 5.32 C ATOM 509 C ASP A 37 8.685 -6.883 8.100 1.00 45.31 C ATOM 510 O ASP A 37 9.030 -7.903 8.700 1.00 34.30 O ATOM 511 CB ASP A 37 10.632 -5.333 7.702 1.00 21.25 C ATOM 512 CG ASP A 37 11.519 -6.058 8.700 1.00 63.03 C ATOM 513 OD1 ASP A 37 12.483 -6.727 8.268 1.00 71.13 O ATOM 514 OD2 ASP A 37 11.269 -5.950 9.917 1.00 35.34 O ATOM 0 H ASP A 37 8.987 -4.487 6.079 1.00 61.41 H new ATOM 0 HA ASP A 37 10.110 -7.056 6.518 1.00 5.32 H new ATOM 0 HB2 ASP A 37 11.256 -4.884 6.929 1.00 21.25 H new ATOM 0 HB3 ASP A 37 10.117 -4.517 8.209 1.00 21.25 H new ATOM 519 N LEU A 38 7.507 -6.284 8.306 1.00 32.34 N ATOM 520 CA LEU A 38 6.526 -6.814 9.262 1.00 63.32 C ATOM 521 C LEU A 38 5.937 -8.134 8.751 1.00 72.24 C ATOM 522 O LEU A 38 5.227 -8.839 9.471 1.00 32.35 O ATOM 523 CB LEU A 38 5.403 -5.792 9.519 1.00 42.03 C ATOM 524 CG LEU A 38 5.779 -4.573 10.390 1.00 62.31 C ATOM 525 CD1 LEU A 38 6.250 -5.018 11.773 1.00 1.11 C ATOM 526 CD2 LEU A 38 6.845 -3.706 9.715 1.00 23.55 C ATOM 0 H LEU A 38 7.209 -5.435 7.826 1.00 32.34 H new ATOM 0 HA LEU A 38 7.040 -7.003 10.205 1.00 63.32 H new ATOM 0 HB2 LEU A 38 5.044 -5.428 8.556 1.00 42.03 H new ATOM 0 HB3 LEU A 38 4.570 -6.310 9.995 1.00 42.03 H new ATOM 0 HG LEU A 38 4.881 -3.966 10.507 1.00 62.31 H new ATOM 0 HD11 LEU A 38 6.509 -4.142 12.368 1.00 1.11 H new ATOM 0 HD12 LEU A 38 5.452 -5.571 12.269 1.00 1.11 H new ATOM 0 HD13 LEU A 38 7.126 -5.659 11.670 1.00 1.11 H new ATOM 0 HD21 LEU A 38 7.084 -2.858 10.357 1.00 23.55 H new ATOM 0 HD22 LEU A 38 7.744 -4.299 9.547 1.00 23.55 H new ATOM 0 HD23 LEU A 38 6.467 -3.342 8.760 1.00 23.55 H new ATOM 538 N GLY A 39 6.228 -8.437 7.488 1.00 51.03 N ATOM 539 CA GLY A 39 5.846 -9.700 6.879 1.00 23.53 C ATOM 540 C GLY A 39 4.346 -9.917 6.777 1.00 32.11 C ATOM 541 O GLY A 39 3.888 -11.055 6.687 1.00 75.41 O ATOM 0 H GLY A 39 6.735 -7.812 6.862 1.00 51.03 H new ATOM 0 HA2 GLY A 39 6.278 -9.753 5.880 1.00 23.53 H new ATOM 0 HA3 GLY A 39 6.281 -10.515 7.458 1.00 23.53 H new ATOM 545 N LEU A 40 3.579 -8.833 6.798 1.00 65.04 N ATOM 546 CA LEU A 40 2.144 -8.899 6.515 1.00 11.22 C ATOM 547 C LEU A 40 1.869 -8.503 5.065 1.00 41.42 C ATOM 548 O LEU A 40 0.935 -8.998 4.439 1.00 32.12 O ATOM 549 CB LEU A 40 1.359 -7.997 7.480 1.00 54.41 C ATOM 550 CG LEU A 40 -0.165 -7.929 7.240 1.00 13.34 C ATOM 551 CD1 LEU A 40 -0.808 -9.315 7.328 1.00 2.32 C ATOM 552 CD2 LEU A 40 -0.820 -6.974 8.232 1.00 42.41 C ATOM 0 H LEU A 40 3.924 -7.896 7.008 1.00 65.04 H new ATOM 0 HA LEU A 40 1.811 -9.926 6.662 1.00 11.22 H new ATOM 0 HB2 LEU A 40 1.533 -8.346 8.498 1.00 54.41 H new ATOM 0 HB3 LEU A 40 1.764 -6.987 7.416 1.00 54.41 H new ATOM 0 HG LEU A 40 -0.325 -7.551 6.230 1.00 13.34 H new ATOM 0 HD11 LEU A 40 -1.881 -9.230 7.154 1.00 2.32 H new ATOM 0 HD12 LEU A 40 -0.369 -9.968 6.574 1.00 2.32 H new ATOM 0 HD13 LEU A 40 -0.633 -9.735 8.319 1.00 2.32 H new ATOM 0 HD21 LEU A 40 -1.894 -6.939 8.048 1.00 42.41 H new ATOM 0 HD22 LEU A 40 -0.637 -7.323 9.248 1.00 42.41 H new ATOM 0 HD23 LEU A 40 -0.398 -5.977 8.110 1.00 42.41 H new ATOM 564 N VAL A 41 2.724 -7.628 4.535 1.00 14.12 N ATOM 565 CA VAL A 41 2.519 -7.018 3.216 1.00 63.21 C ATOM 566 C VAL A 41 2.542 -8.065 2.093 1.00 74.10 C ATOM 567 O VAL A 41 2.124 -7.790 0.970 1.00 4.42 O ATOM 568 CB VAL A 41 3.585 -5.923 2.945 1.00 60.10 C ATOM 569 CG1 VAL A 41 3.326 -5.202 1.620 1.00 54.00 C ATOM 570 CG2 VAL A 41 3.624 -4.923 4.101 1.00 1.02 C ATOM 0 H VAL A 41 3.576 -7.321 5.004 1.00 14.12 H new ATOM 0 HA VAL A 41 1.531 -6.558 3.224 1.00 63.21 H new ATOM 0 HB VAL A 41 4.556 -6.413 2.869 1.00 60.10 H new ATOM 0 HG11 VAL A 41 4.092 -4.442 1.463 1.00 54.00 H new ATOM 0 HG12 VAL A 41 3.356 -5.922 0.802 1.00 54.00 H new ATOM 0 HG13 VAL A 41 2.345 -4.728 1.650 1.00 54.00 H new ATOM 0 HG21 VAL A 41 4.376 -4.161 3.897 1.00 1.02 H new ATOM 0 HG22 VAL A 41 2.647 -4.450 4.206 1.00 1.02 H new ATOM 0 HG23 VAL A 41 3.876 -5.444 5.025 1.00 1.02 H new ATOM 580 N TYR A 42 3.020 -9.272 2.405 1.00 61.30 N ATOM 581 CA TYR A 42 2.998 -10.373 1.442 1.00 43.41 C ATOM 582 C TYR A 42 1.557 -10.705 1.066 1.00 2.34 C ATOM 583 O TYR A 42 1.289 -11.264 -0.002 1.00 71.12 O ATOM 584 CB TYR A 42 3.692 -11.618 2.012 1.00 53.44 C ATOM 585 CG TYR A 42 5.170 -11.423 2.310 1.00 65.12 C ATOM 586 CD1 TYR A 42 5.627 -11.309 3.617 1.00 5.04 C ATOM 587 CD2 TYR A 42 6.106 -11.364 1.284 1.00 23.43 C ATOM 588 CE1 TYR A 42 6.970 -11.140 3.893 1.00 23.32 C ATOM 589 CE2 TYR A 42 7.452 -11.194 1.551 1.00 31.54 C ATOM 590 CZ TYR A 42 7.879 -11.085 2.860 1.00 64.43 C ATOM 591 OH TYR A 42 9.215 -10.921 3.135 1.00 31.23 O ATOM 0 H TYR A 42 3.424 -9.510 3.311 1.00 61.30 H new ATOM 0 HA TYR A 42 3.541 -10.059 0.551 1.00 43.41 H new ATOM 0 HB2 TYR A 42 3.184 -11.916 2.929 1.00 53.44 H new ATOM 0 HB3 TYR A 42 3.580 -12.439 1.304 1.00 53.44 H new ATOM 0 HD1 TYR A 42 4.920 -11.353 4.432 1.00 5.04 H new ATOM 0 HD2 TYR A 42 5.776 -11.453 0.260 1.00 23.43 H new ATOM 0 HE1 TYR A 42 7.306 -11.051 4.916 1.00 23.32 H new ATOM 0 HE2 TYR A 42 8.165 -11.147 0.741 1.00 31.54 H new ATOM 0 HH TYR A 42 9.734 -11.598 2.653 1.00 31.23 H new ATOM 601 N GLY A 43 0.632 -10.349 1.955 1.00 70.03 N ATOM 602 CA GLY A 43 -0.780 -10.558 1.706 1.00 35.32 C ATOM 603 C GLY A 43 -1.353 -9.517 0.764 1.00 74.31 C ATOM 604 O GLY A 43 -2.113 -8.640 1.175 1.00 65.43 O ATOM 0 H GLY A 43 0.842 -9.914 2.853 1.00 70.03 H new ATOM 0 HA2 GLY A 43 -0.930 -11.551 1.283 1.00 35.32 H new ATOM 0 HA3 GLY A 43 -1.323 -10.529 2.651 1.00 35.32 H new ATOM 608 N LEU A 44 -0.958 -9.597 -0.499 1.00 24.13 N ATOM 609 CA LEU A 44 -1.485 -8.720 -1.535 1.00 62.44 C ATOM 610 C LEU A 44 -2.029 -9.553 -2.694 1.00 10.14 C ATOM 611 O LEU A 44 -1.494 -10.622 -3.007 1.00 15.32 O ATOM 612 CB LEU A 44 -0.402 -7.717 -1.995 1.00 73.45 C ATOM 613 CG LEU A 44 0.980 -8.307 -2.362 1.00 43.25 C ATOM 614 CD1 LEU A 44 0.967 -8.958 -3.744 1.00 44.23 C ATOM 615 CD2 LEU A 44 2.061 -7.229 -2.287 1.00 3.44 C ATOM 0 H LEU A 44 -0.267 -10.268 -0.833 1.00 24.13 H new ATOM 0 HA LEU A 44 -2.312 -8.136 -1.131 1.00 62.44 H new ATOM 0 HB2 LEU A 44 -0.783 -7.179 -2.863 1.00 73.45 H new ATOM 0 HB3 LEU A 44 -0.259 -6.983 -1.202 1.00 73.45 H new ATOM 0 HG LEU A 44 1.209 -9.085 -1.634 1.00 43.25 H new ATOM 0 HD11 LEU A 44 1.955 -9.361 -3.966 1.00 44.23 H new ATOM 0 HD12 LEU A 44 0.235 -9.765 -3.759 1.00 44.23 H new ATOM 0 HD13 LEU A 44 0.702 -8.213 -4.494 1.00 44.23 H new ATOM 0 HD21 LEU A 44 3.026 -7.663 -2.548 1.00 3.44 H new ATOM 0 HD22 LEU A 44 1.823 -6.426 -2.985 1.00 3.44 H new ATOM 0 HD23 LEU A 44 2.106 -6.828 -1.274 1.00 3.44 H new ATOM 627 N ASP A 45 -3.107 -9.077 -3.304 1.00 0.14 N ATOM 628 CA ASP A 45 -3.773 -9.789 -4.389 1.00 42.23 C ATOM 629 C ASP A 45 -4.692 -8.816 -5.120 1.00 41.02 C ATOM 630 O ASP A 45 -5.351 -8.004 -4.481 1.00 13.51 O ATOM 631 CB ASP A 45 -4.578 -10.969 -3.822 1.00 61.11 C ATOM 632 CG ASP A 45 -5.050 -11.942 -4.890 1.00 42.02 C ATOM 633 OD1 ASP A 45 -4.327 -12.925 -5.169 1.00 52.11 O ATOM 634 OD2 ASP A 45 -6.155 -11.756 -5.428 1.00 72.44 O ATOM 0 H ASP A 45 -3.544 -8.188 -3.062 1.00 0.14 H new ATOM 0 HA ASP A 45 -3.035 -10.184 -5.087 1.00 42.23 H new ATOM 0 HB2 ASP A 45 -3.964 -11.505 -3.098 1.00 61.11 H new ATOM 0 HB3 ASP A 45 -5.444 -10.584 -3.283 1.00 61.11 H new ATOM 639 N VAL A 46 -4.719 -8.872 -6.449 1.00 1.54 N ATOM 640 CA VAL A 46 -5.491 -7.910 -7.239 1.00 32.01 C ATOM 641 C VAL A 46 -6.522 -8.627 -8.113 1.00 61.44 C ATOM 642 O VAL A 46 -6.205 -9.613 -8.787 1.00 73.01 O ATOM 643 CB VAL A 46 -4.569 -7.046 -8.139 1.00 21.13 C ATOM 644 CG1 VAL A 46 -5.368 -5.978 -8.886 1.00 11.41 C ATOM 645 CG2 VAL A 46 -3.442 -6.413 -7.323 1.00 5.11 C ATOM 0 H VAL A 46 -4.219 -9.568 -7.001 1.00 1.54 H new ATOM 0 HA VAL A 46 -6.006 -7.256 -6.535 1.00 32.01 H new ATOM 0 HB VAL A 46 -4.119 -7.705 -8.881 1.00 21.13 H new ATOM 0 HG11 VAL A 46 -4.695 -5.389 -9.508 1.00 11.41 H new ATOM 0 HG12 VAL A 46 -6.117 -6.458 -9.516 1.00 11.41 H new ATOM 0 HG13 VAL A 46 -5.863 -5.325 -8.167 1.00 11.41 H new ATOM 0 HG21 VAL A 46 -2.811 -5.813 -7.979 1.00 5.11 H new ATOM 0 HG22 VAL A 46 -3.868 -5.777 -6.547 1.00 5.11 H new ATOM 0 HG23 VAL A 46 -2.843 -7.197 -6.861 1.00 5.11 H new ATOM 655 N GLN A 47 -7.756 -8.129 -8.092 1.00 32.11 N ATOM 656 CA GLN A 47 -8.851 -8.720 -8.863 1.00 24.52 C ATOM 657 C GLN A 47 -9.364 -7.753 -9.934 1.00 61.11 C ATOM 658 O GLN A 47 -9.694 -6.593 -9.642 1.00 34.12 O ATOM 659 CB GLN A 47 -10.018 -9.138 -7.943 1.00 3.31 C ATOM 660 CG GLN A 47 -9.734 -10.366 -7.076 1.00 62.01 C ATOM 661 CD GLN A 47 -8.999 -10.045 -5.784 1.00 43.33 C ATOM 662 OE1 GLN A 47 -8.260 -9.068 -5.691 1.00 11.35 O ATOM 663 NE2 GLN A 47 -9.193 -10.880 -4.777 1.00 34.35 N ATOM 0 H GLN A 47 -8.026 -7.311 -7.545 1.00 32.11 H new ATOM 0 HA GLN A 47 -8.453 -9.608 -9.355 1.00 24.52 H new ATOM 0 HB2 GLN A 47 -10.269 -8.300 -7.293 1.00 3.31 H new ATOM 0 HB3 GLN A 47 -10.895 -9.338 -8.558 1.00 3.31 H new ATOM 0 HG2 GLN A 47 -10.677 -10.856 -6.835 1.00 62.01 H new ATOM 0 HG3 GLN A 47 -9.143 -11.078 -7.652 1.00 62.01 H new ATOM 0 HE21 GLN A 47 -9.814 -11.681 -4.891 1.00 34.35 H new ATOM 0 HE22 GLN A 47 -8.722 -10.723 -3.886 1.00 34.35 H new ATOM 672 N ASP A 48 -9.416 -8.240 -11.176 1.00 52.43 N ATOM 673 CA ASP A 48 -10.022 -7.503 -12.282 1.00 22.13 C ATOM 674 C ASP A 48 -11.534 -7.692 -12.244 1.00 53.21 C ATOM 675 O ASP A 48 -12.025 -8.811 -12.426 1.00 55.31 O ATOM 676 CB ASP A 48 -9.493 -7.993 -13.643 1.00 44.02 C ATOM 677 CG ASP A 48 -8.009 -7.735 -13.851 1.00 72.42 C ATOM 678 OD1 ASP A 48 -7.201 -8.660 -13.617 1.00 50.12 O ATOM 679 OD2 ASP A 48 -7.648 -6.614 -14.275 1.00 52.13 O ATOM 0 H ASP A 48 -9.041 -9.151 -11.440 1.00 52.43 H new ATOM 0 HA ASP A 48 -9.762 -6.450 -12.169 1.00 22.13 H new ATOM 0 HB2 ASP A 48 -9.683 -9.063 -13.733 1.00 44.02 H new ATOM 0 HB3 ASP A 48 -10.053 -7.502 -14.439 1.00 44.02 H new ATOM 684 N GLY A 49 -12.266 -6.618 -11.985 1.00 11.03 N ATOM 685 CA GLY A 49 -13.717 -6.683 -11.973 1.00 53.03 C ATOM 686 C GLY A 49 -14.331 -5.682 -12.929 1.00 65.22 C ATOM 687 O GLY A 49 -13.682 -4.703 -13.310 1.00 54.40 O ATOM 0 H GLY A 49 -11.880 -5.696 -11.781 1.00 11.03 H new ATOM 0 HA2 GLY A 49 -14.038 -7.689 -12.244 1.00 53.03 H new ATOM 0 HA3 GLY A 49 -14.081 -6.493 -10.963 1.00 53.03 H new ATOM 691 N ASP A 50 -15.574 -5.926 -13.327 1.00 23.41 N ATOM 692 CA ASP A 50 -16.285 -5.021 -14.228 1.00 12.14 C ATOM 693 C ASP A 50 -16.729 -3.771 -13.478 1.00 21.22 C ATOM 694 O ASP A 50 -16.922 -2.709 -14.077 1.00 54.12 O ATOM 695 CB ASP A 50 -17.492 -5.721 -14.869 1.00 13.22 C ATOM 696 CG ASP A 50 -17.078 -6.787 -15.874 1.00 61.40 C ATOM 697 OD1 ASP A 50 -16.998 -7.976 -15.497 1.00 33.54 O ATOM 698 OD2 ASP A 50 -16.821 -6.437 -17.047 1.00 73.02 O ATOM 0 H ASP A 50 -16.113 -6.743 -13.041 1.00 23.41 H new ATOM 0 HA ASP A 50 -15.603 -4.727 -15.026 1.00 12.14 H new ATOM 0 HB2 ASP A 50 -18.100 -6.178 -14.088 1.00 13.22 H new ATOM 0 HB3 ASP A 50 -18.117 -4.979 -15.367 1.00 13.22 H new ATOM 703 N GLU A 51 -16.886 -3.901 -12.162 1.00 63.21 N ATOM 704 CA GLU A 51 -17.241 -2.762 -11.315 1.00 43.11 C ATOM 705 C GLU A 51 -15.992 -1.949 -10.970 1.00 52.41 C ATOM 706 O GLU A 51 -16.089 -0.797 -10.539 1.00 30.10 O ATOM 707 CB GLU A 51 -17.951 -3.238 -10.037 1.00 65.01 C ATOM 708 CG GLU A 51 -17.144 -4.224 -9.197 1.00 33.45 C ATOM 709 CD GLU A 51 -17.887 -4.666 -7.944 1.00 72.31 C ATOM 710 OE1 GLU A 51 -18.755 -5.561 -8.044 1.00 42.41 O ATOM 711 OE2 GLU A 51 -17.624 -4.111 -6.858 1.00 72.43 O ATOM 0 H GLU A 51 -16.773 -4.781 -11.659 1.00 63.21 H new ATOM 0 HA GLU A 51 -17.929 -2.121 -11.866 1.00 43.11 H new ATOM 0 HB2 GLU A 51 -18.191 -2.369 -9.424 1.00 65.01 H new ATOM 0 HB3 GLU A 51 -18.897 -3.704 -10.314 1.00 65.01 H new ATOM 0 HG2 GLU A 51 -16.904 -5.099 -9.801 1.00 33.45 H new ATOM 0 HG3 GLU A 51 -16.198 -3.764 -8.911 1.00 33.45 H new ATOM 718 N GLY A 52 -14.826 -2.557 -11.181 1.00 61.43 N ATOM 719 CA GLY A 52 -13.559 -1.898 -10.910 1.00 3.44 C ATOM 720 C GLY A 52 -12.417 -2.894 -10.774 1.00 14.43 C ATOM 721 O GLY A 52 -12.648 -4.078 -10.513 1.00 73.34 O ATOM 0 H GLY A 52 -14.737 -3.508 -11.540 1.00 61.43 H new ATOM 0 HA2 GLY A 52 -13.335 -1.197 -11.714 1.00 3.44 H new ATOM 0 HA3 GLY A 52 -13.642 -1.315 -9.993 1.00 3.44 H new ATOM 725 N THR A 53 -11.189 -2.422 -10.961 1.00 42.20 N ATOM 726 CA THR A 53 -10.005 -3.262 -10.804 1.00 11.40 C ATOM 727 C THR A 53 -9.415 -3.017 -9.423 1.00 72.52 C ATOM 728 O THR A 53 -8.741 -2.005 -9.200 1.00 61.13 O ATOM 729 CB THR A 53 -8.941 -2.943 -11.879 1.00 45.32 C ATOM 730 OG1 THR A 53 -9.565 -2.856 -13.169 1.00 63.03 O ATOM 731 CG2 THR A 53 -7.845 -4.007 -11.913 1.00 51.23 C ATOM 0 H THR A 53 -10.986 -1.457 -11.223 1.00 42.20 H new ATOM 0 HA THR A 53 -10.299 -4.305 -10.920 1.00 11.40 H new ATOM 0 HB THR A 53 -8.481 -1.988 -11.624 1.00 45.32 H new ATOM 0 HG1 THR A 53 -8.887 -2.652 -13.847 1.00 63.03 H new ATOM 0 HG21 THR A 53 -7.114 -3.752 -12.680 1.00 51.23 H new ATOM 0 HG22 THR A 53 -7.352 -4.053 -10.942 1.00 51.23 H new ATOM 0 HG23 THR A 53 -8.287 -4.977 -12.142 1.00 51.23 H new ATOM 739 N VAL A 54 -9.660 -3.940 -8.502 1.00 13.33 N ATOM 740 CA VAL A 54 -9.363 -3.701 -7.093 1.00 51.15 C ATOM 741 C VAL A 54 -8.087 -4.418 -6.669 1.00 30.42 C ATOM 742 O VAL A 54 -7.963 -5.632 -6.822 1.00 63.44 O ATOM 743 CB VAL A 54 -10.532 -4.167 -6.186 1.00 2.44 C ATOM 744 CG1 VAL A 54 -10.275 -3.786 -4.728 1.00 3.14 C ATOM 745 CG2 VAL A 54 -11.860 -3.587 -6.674 1.00 22.44 C ATOM 0 H VAL A 54 -10.061 -4.856 -8.702 1.00 13.33 H new ATOM 0 HA VAL A 54 -9.225 -2.626 -6.975 1.00 51.15 H new ATOM 0 HB VAL A 54 -10.594 -5.254 -6.244 1.00 2.44 H new ATOM 0 HG11 VAL A 54 -11.108 -4.123 -4.112 1.00 3.14 H new ATOM 0 HG12 VAL A 54 -9.355 -4.259 -4.385 1.00 3.14 H new ATOM 0 HG13 VAL A 54 -10.178 -2.703 -4.646 1.00 3.14 H new ATOM 0 HG21 VAL A 54 -12.666 -3.927 -6.024 1.00 22.44 H new ATOM 0 HG22 VAL A 54 -11.811 -2.498 -6.653 1.00 22.44 H new ATOM 0 HG23 VAL A 54 -12.051 -3.922 -7.694 1.00 22.44 H new ATOM 755 N ALA A 55 -7.141 -3.652 -6.143 1.00 30.25 N ATOM 756 CA ALA A 55 -5.911 -4.204 -5.588 1.00 63.13 C ATOM 757 C ALA A 55 -6.042 -4.322 -4.065 1.00 52.52 C ATOM 758 O ALA A 55 -6.182 -3.313 -3.367 1.00 73.04 O ATOM 759 CB ALA A 55 -4.725 -3.314 -5.953 1.00 1.41 C ATOM 0 H ALA A 55 -7.203 -2.635 -6.089 1.00 30.25 H new ATOM 0 HA ALA A 55 -5.740 -5.196 -6.007 1.00 63.13 H new ATOM 0 HB1 ALA A 55 -3.811 -3.735 -5.534 1.00 1.41 H new ATOM 0 HB2 ALA A 55 -4.634 -3.256 -7.038 1.00 1.41 H new ATOM 0 HB3 ALA A 55 -4.882 -2.314 -5.549 1.00 1.41 H new ATOM 765 N LEU A 56 -6.018 -5.552 -3.562 1.00 42.33 N ATOM 766 CA LEU A 56 -6.148 -5.820 -2.126 1.00 62.54 C ATOM 767 C LEU A 56 -4.767 -5.926 -1.476 1.00 44.44 C ATOM 768 O LEU A 56 -3.903 -6.661 -1.960 1.00 23.12 O ATOM 769 CB LEU A 56 -6.931 -7.127 -1.901 1.00 14.41 C ATOM 770 CG LEU A 56 -8.279 -7.223 -2.638 1.00 74.32 C ATOM 771 CD1 LEU A 56 -8.919 -8.589 -2.415 1.00 71.23 C ATOM 772 CD2 LEU A 56 -9.219 -6.106 -2.194 1.00 12.04 C ATOM 0 H LEU A 56 -5.909 -6.391 -4.132 1.00 42.33 H new ATOM 0 HA LEU A 56 -6.691 -4.994 -1.667 1.00 62.54 H new ATOM 0 HB2 LEU A 56 -6.306 -7.964 -2.212 1.00 14.41 H new ATOM 0 HB3 LEU A 56 -7.111 -7.244 -0.832 1.00 14.41 H new ATOM 0 HG LEU A 56 -8.093 -7.105 -3.705 1.00 74.32 H new ATOM 0 HD11 LEU A 56 -9.871 -8.636 -2.944 1.00 71.23 H new ATOM 0 HD12 LEU A 56 -8.256 -9.367 -2.792 1.00 71.23 H new ATOM 0 HD13 LEU A 56 -9.089 -8.742 -1.349 1.00 71.23 H new ATOM 0 HD21 LEU A 56 -10.165 -6.193 -2.728 1.00 12.04 H new ATOM 0 HD22 LEU A 56 -9.398 -6.186 -1.122 1.00 12.04 H new ATOM 0 HD23 LEU A 56 -8.766 -5.140 -2.415 1.00 12.04 H new ATOM 784 N ILE A 57 -4.553 -5.166 -0.401 1.00 75.15 N ATOM 785 CA ILE A 57 -3.303 -5.227 0.365 1.00 3.31 C ATOM 786 C ILE A 57 -3.614 -5.280 1.863 1.00 73.13 C ATOM 787 O ILE A 57 -4.385 -4.458 2.367 1.00 14.15 O ATOM 788 CB ILE A 57 -2.369 -4.002 0.100 1.00 30.21 C ATOM 789 CG1 ILE A 57 -1.992 -3.873 -1.392 1.00 45.33 C ATOM 790 CG2 ILE A 57 -1.105 -4.099 0.956 1.00 60.41 C ATOM 791 CD1 ILE A 57 -3.043 -3.189 -2.246 1.00 50.45 C ATOM 0 H ILE A 57 -5.232 -4.497 -0.038 1.00 75.15 H new ATOM 0 HA ILE A 57 -2.782 -6.127 0.038 1.00 3.31 H new ATOM 0 HB ILE A 57 -2.924 -3.106 0.378 1.00 30.21 H new ATOM 0 HG12 ILE A 57 -1.058 -3.317 -1.472 1.00 45.33 H new ATOM 0 HG13 ILE A 57 -1.805 -4.869 -1.795 1.00 45.33 H new ATOM 0 HG21 ILE A 57 -0.466 -3.238 0.759 1.00 60.41 H new ATOM 0 HG22 ILE A 57 -1.380 -4.113 2.011 1.00 60.41 H new ATOM 0 HG23 ILE A 57 -0.567 -5.014 0.709 1.00 60.41 H new ATOM 0 HD11 ILE A 57 -2.698 -3.140 -3.279 1.00 50.45 H new ATOM 0 HD12 ILE A 57 -3.973 -3.755 -2.201 1.00 50.45 H new ATOM 0 HD13 ILE A 57 -3.214 -2.179 -1.873 1.00 50.45 H new ATOM 803 N ASP A 58 -3.026 -6.245 2.566 1.00 40.55 N ATOM 804 CA ASP A 58 -3.184 -6.351 4.020 1.00 52.31 C ATOM 805 C ASP A 58 -2.120 -5.539 4.748 1.00 73.15 C ATOM 806 O ASP A 58 -0.926 -5.650 4.458 1.00 43.53 O ATOM 807 CB ASP A 58 -3.122 -7.817 4.483 1.00 15.20 C ATOM 808 CG ASP A 58 -4.445 -8.539 4.306 1.00 30.32 C ATOM 809 OD1 ASP A 58 -5.429 -8.139 4.967 1.00 23.22 O ATOM 810 OD2 ASP A 58 -4.507 -9.513 3.523 1.00 55.40 O ATOM 0 H ASP A 58 -2.435 -6.967 2.155 1.00 40.55 H new ATOM 0 HA ASP A 58 -4.166 -5.948 4.267 1.00 52.31 H new ATOM 0 HB2 ASP A 58 -2.348 -8.340 3.921 1.00 15.20 H new ATOM 0 HB3 ASP A 58 -2.831 -7.851 5.533 1.00 15.20 H new ATOM 815 N MET A 59 -2.562 -4.713 5.691 1.00 44.54 N ATOM 816 CA MET A 59 -1.667 -3.905 6.514 1.00 53.23 C ATOM 817 C MET A 59 -2.179 -3.850 7.951 1.00 52.33 C ATOM 818 O MET A 59 -3.280 -4.327 8.248 1.00 73.03 O ATOM 819 CB MET A 59 -1.517 -2.482 5.949 1.00 21.13 C ATOM 820 CG MET A 59 -0.823 -2.422 4.593 1.00 71.45 C ATOM 821 SD MET A 59 -0.446 -0.733 4.079 1.00 43.02 S ATOM 822 CE MET A 59 0.696 -0.236 5.369 1.00 25.23 C ATOM 0 H MET A 59 -3.551 -4.584 5.907 1.00 44.54 H new ATOM 0 HA MET A 59 -0.684 -4.376 6.502 1.00 53.23 H new ATOM 0 HB2 MET A 59 -2.506 -2.032 5.860 1.00 21.13 H new ATOM 0 HB3 MET A 59 -0.954 -1.877 6.660 1.00 21.13 H new ATOM 0 HG2 MET A 59 0.101 -2.999 4.636 1.00 71.45 H new ATOM 0 HG3 MET A 59 -1.458 -2.893 3.843 1.00 71.45 H new ATOM 0 HE1 MET A 59 1.524 0.320 4.928 1.00 25.23 H new ATOM 0 HE2 MET A 59 0.178 0.396 6.090 1.00 25.23 H new ATOM 0 HE3 MET A 59 1.082 -1.121 5.874 1.00 25.23 H new ATOM 832 N THR A 60 -1.364 -3.302 8.843 1.00 12.30 N ATOM 833 CA THR A 60 -1.731 -3.160 10.244 1.00 65.05 C ATOM 834 C THR A 60 -1.074 -1.916 10.836 1.00 23.55 C ATOM 835 O THR A 60 -0.075 -1.422 10.306 1.00 74.10 O ATOM 836 CB THR A 60 -1.328 -4.409 11.070 1.00 30.25 C ATOM 837 OG1 THR A 60 -1.766 -4.268 12.426 1.00 0.15 O ATOM 838 CG2 THR A 60 0.182 -4.635 11.043 1.00 24.31 C ATOM 0 H THR A 60 -0.435 -2.946 8.617 1.00 12.30 H new ATOM 0 HA THR A 60 -2.815 -3.059 10.293 1.00 65.05 H new ATOM 0 HB THR A 60 -1.812 -5.274 10.616 1.00 30.25 H new ATOM 0 HG1 THR A 60 -2.663 -4.651 12.522 1.00 0.15 H new ATOM 0 HG21 THR A 60 0.428 -5.518 11.632 1.00 24.31 H new ATOM 0 HG22 THR A 60 0.510 -4.782 10.014 1.00 24.31 H new ATOM 0 HG23 THR A 60 0.688 -3.766 11.464 1.00 24.31 H new ATOM 846 N LEU A 61 -1.654 -1.403 11.916 1.00 12.25 N ATOM 847 CA LEU A 61 -1.110 -0.245 12.620 1.00 32.14 C ATOM 848 C LEU A 61 -0.721 -0.657 14.038 1.00 24.12 C ATOM 849 O LEU A 61 -1.338 -1.553 14.613 1.00 13.04 O ATOM 850 CB LEU A 61 -2.123 0.918 12.666 1.00 63.24 C ATOM 851 CG LEU A 61 -2.543 1.518 11.303 1.00 51.35 C ATOM 852 CD1 LEU A 61 -1.322 1.878 10.457 1.00 22.30 C ATOM 853 CD2 LEU A 61 -3.468 0.574 10.538 1.00 35.42 C ATOM 0 H LEU A 61 -2.510 -1.775 12.327 1.00 12.25 H new ATOM 0 HA LEU A 61 -0.231 0.106 12.079 1.00 32.14 H new ATOM 0 HB2 LEU A 61 -3.020 0.570 13.177 1.00 63.24 H new ATOM 0 HB3 LEU A 61 -1.699 1.717 13.275 1.00 63.24 H new ATOM 0 HG LEU A 61 -3.096 2.435 11.509 1.00 51.35 H new ATOM 0 HD11 LEU A 61 -1.649 2.297 9.506 1.00 22.30 H new ATOM 0 HD12 LEU A 61 -0.715 2.612 10.987 1.00 22.30 H new ATOM 0 HD13 LEU A 61 -0.729 0.982 10.274 1.00 22.30 H new ATOM 0 HD21 LEU A 61 -3.743 1.027 9.586 1.00 35.42 H new ATOM 0 HD22 LEU A 61 -2.955 -0.370 10.356 1.00 35.42 H new ATOM 0 HD23 LEU A 61 -4.367 0.390 11.126 1.00 35.42 H new ATOM 865 N THR A 62 0.279 0.018 14.598 1.00 70.21 N ATOM 866 CA THR A 62 0.861 -0.355 15.889 1.00 74.32 C ATOM 867 C THR A 62 -0.198 -0.540 16.983 1.00 40.41 C ATOM 868 O THR A 62 -0.249 -1.583 17.637 1.00 43.43 O ATOM 869 CB THR A 62 1.886 0.708 16.341 1.00 12.33 C ATOM 870 OG1 THR A 62 1.296 2.012 16.249 1.00 32.51 O ATOM 871 CG2 THR A 62 3.148 0.657 15.482 1.00 61.22 C ATOM 0 H THR A 62 0.710 0.838 14.172 1.00 70.21 H new ATOM 0 HA THR A 62 1.356 -1.315 15.744 1.00 74.32 H new ATOM 0 HB THR A 62 2.166 0.497 17.373 1.00 12.33 H new ATOM 0 HG1 THR A 62 1.453 2.380 15.354 1.00 32.51 H new ATOM 0 HG21 THR A 62 3.851 1.416 15.823 1.00 61.22 H new ATOM 0 HG22 THR A 62 3.607 -0.328 15.568 1.00 61.22 H new ATOM 0 HG23 THR A 62 2.887 0.846 14.441 1.00 61.22 H new ATOM 879 N SER A 63 -1.036 0.474 17.181 1.00 74.23 N ATOM 880 CA SER A 63 -2.047 0.440 18.238 1.00 51.41 C ATOM 881 C SER A 63 -3.458 0.407 17.653 1.00 30.31 C ATOM 882 O SER A 63 -4.443 0.390 18.395 1.00 22.25 O ATOM 883 CB SER A 63 -1.879 1.658 19.157 1.00 53.15 C ATOM 884 OG SER A 63 -2.805 1.640 20.237 1.00 11.31 O ATOM 0 H SER A 63 -1.036 1.329 16.625 1.00 74.23 H new ATOM 0 HA SER A 63 -1.906 -0.471 18.819 1.00 51.41 H new ATOM 0 HB2 SER A 63 -0.863 1.678 19.551 1.00 53.15 H new ATOM 0 HB3 SER A 63 -2.015 2.571 18.578 1.00 53.15 H new ATOM 0 HG SER A 63 -3.601 1.132 19.977 1.00 11.31 H new ATOM 890 N ALA A 64 -3.543 0.410 16.324 1.00 34.12 N ATOM 891 CA ALA A 64 -4.823 0.417 15.605 1.00 21.45 C ATOM 892 C ALA A 64 -5.660 1.667 15.920 1.00 62.34 C ATOM 893 O ALA A 64 -6.810 1.774 15.496 1.00 12.23 O ATOM 894 CB ALA A 64 -5.617 -0.848 15.926 1.00 15.53 C ATOM 0 H ALA A 64 -2.727 0.408 15.711 1.00 34.12 H new ATOM 0 HA ALA A 64 -4.596 0.440 14.539 1.00 21.45 H new ATOM 0 HB1 ALA A 64 -6.564 -0.830 15.386 1.00 15.53 H new ATOM 0 HB2 ALA A 64 -5.043 -1.724 15.623 1.00 15.53 H new ATOM 0 HB3 ALA A 64 -5.811 -0.894 16.998 1.00 15.53 H new ATOM 900 N ALA A 65 -5.068 2.616 16.641 1.00 52.31 N ATOM 901 CA ALA A 65 -5.715 3.895 16.935 1.00 55.11 C ATOM 902 C ALA A 65 -4.871 5.037 16.377 1.00 4.22 C ATOM 903 O ALA A 65 -5.182 6.217 16.559 1.00 70.21 O ATOM 904 CB ALA A 65 -5.916 4.054 18.442 1.00 11.31 C ATOM 0 H ALA A 65 -4.132 2.523 17.036 1.00 52.31 H new ATOM 0 HA ALA A 65 -6.695 3.920 16.459 1.00 55.11 H new ATOM 0 HB1 ALA A 65 -6.398 5.010 18.646 1.00 11.31 H new ATOM 0 HB2 ALA A 65 -6.544 3.244 18.813 1.00 11.31 H new ATOM 0 HB3 ALA A 65 -4.949 4.021 18.944 1.00 11.31 H new ATOM 910 N CYS A 66 -3.796 4.662 15.688 1.00 42.31 N ATOM 911 CA CYS A 66 -2.814 5.610 15.182 1.00 63.02 C ATOM 912 C CYS A 66 -3.271 6.190 13.842 1.00 73.14 C ATOM 913 O CYS A 66 -3.763 5.453 12.984 1.00 4.01 O ATOM 914 CB CYS A 66 -1.472 4.895 15.018 1.00 42.32 C ATOM 915 SG CYS A 66 -1.055 3.819 16.409 1.00 23.11 S ATOM 0 H CYS A 66 -3.583 3.689 15.466 1.00 42.31 H new ATOM 0 HA CYS A 66 -2.707 6.433 15.889 1.00 63.02 H new ATOM 0 HB2 CYS A 66 -1.494 4.302 14.104 1.00 42.32 H new ATOM 0 HB3 CYS A 66 -0.685 5.639 14.896 1.00 42.32 H new ATOM 0 HG CYS A 66 0.060 3.200 16.159 1.00 23.11 H new ATOM 921 N PRO A 67 -3.084 7.509 13.629 1.00 45.54 N ATOM 922 CA PRO A 67 -3.520 8.191 12.397 1.00 22.21 C ATOM 923 C PRO A 67 -2.609 7.888 11.201 1.00 21.13 C ATOM 924 O PRO A 67 -2.560 8.645 10.232 1.00 22.44 O ATOM 925 CB PRO A 67 -3.442 9.675 12.784 1.00 75.14 C ATOM 926 CG PRO A 67 -2.350 9.738 13.797 1.00 4.12 C ATOM 927 CD PRO A 67 -2.434 8.447 14.574 1.00 64.45 C ATOM 0 HA PRO A 67 -4.510 7.869 12.073 1.00 22.21 H new ATOM 0 HB2 PRO A 67 -3.218 10.300 11.919 1.00 75.14 H new ATOM 0 HB3 PRO A 67 -4.387 10.028 13.196 1.00 75.14 H new ATOM 0 HG2 PRO A 67 -1.377 9.843 13.317 1.00 4.12 H new ATOM 0 HG3 PRO A 67 -2.475 10.599 14.454 1.00 4.12 H new ATOM 0 HD2 PRO A 67 -1.447 8.094 14.872 1.00 64.45 H new ATOM 0 HD3 PRO A 67 -3.019 8.566 15.486 1.00 64.45 H new ATOM 935 N LEU A 68 -1.915 6.755 11.262 1.00 44.22 N ATOM 936 CA LEU A 68 -0.967 6.371 10.223 1.00 61.23 C ATOM 937 C LEU A 68 -1.709 5.813 9.015 1.00 45.32 C ATOM 938 O LEU A 68 -1.161 5.753 7.912 1.00 34.45 O ATOM 939 CB LEU A 68 0.027 5.330 10.768 1.00 3.13 C ATOM 940 CG LEU A 68 0.826 5.766 12.008 1.00 45.53 C ATOM 941 CD1 LEU A 68 1.735 4.636 12.487 1.00 52.04 C ATOM 942 CD2 LEU A 68 1.634 7.031 11.718 1.00 61.52 C ATOM 0 H LEU A 68 -1.993 6.083 12.026 1.00 44.22 H new ATOM 0 HA LEU A 68 -0.410 7.255 9.912 1.00 61.23 H new ATOM 0 HB2 LEU A 68 -0.523 4.421 11.012 1.00 3.13 H new ATOM 0 HB3 LEU A 68 0.730 5.074 9.975 1.00 3.13 H new ATOM 0 HG LEU A 68 0.119 5.995 12.806 1.00 45.53 H new ATOM 0 HD11 LEU A 68 2.292 4.964 13.365 1.00 52.04 H new ATOM 0 HD12 LEU A 68 1.130 3.767 12.745 1.00 52.04 H new ATOM 0 HD13 LEU A 68 2.433 4.369 11.693 1.00 52.04 H new ATOM 0 HD21 LEU A 68 2.190 7.320 12.610 1.00 61.52 H new ATOM 0 HD22 LEU A 68 2.331 6.839 10.902 1.00 61.52 H new ATOM 0 HD23 LEU A 68 0.958 7.838 11.435 1.00 61.52 H new ATOM 954 N THR A 69 -2.964 5.426 9.231 1.00 1.32 N ATOM 955 CA THR A 69 -3.784 4.846 8.178 1.00 13.22 C ATOM 956 C THR A 69 -3.945 5.825 7.012 1.00 63.22 C ATOM 957 O THR A 69 -3.753 5.456 5.855 1.00 2.04 O ATOM 958 CB THR A 69 -5.167 4.404 8.721 1.00 32.42 C ATOM 959 OG1 THR A 69 -5.941 3.800 7.679 1.00 11.42 O ATOM 960 CG2 THR A 69 -5.942 5.570 9.328 1.00 21.35 C ATOM 0 H THR A 69 -3.435 5.506 10.132 1.00 1.32 H new ATOM 0 HA THR A 69 -3.272 3.957 7.809 1.00 13.22 H new ATOM 0 HB THR A 69 -4.985 3.675 9.511 1.00 32.42 H new ATOM 0 HG1 THR A 69 -5.767 2.836 7.659 1.00 11.42 H new ATOM 0 HG21 THR A 69 -6.905 5.215 9.696 1.00 21.35 H new ATOM 0 HG22 THR A 69 -5.372 5.995 10.154 1.00 21.35 H new ATOM 0 HG23 THR A 69 -6.104 6.334 8.568 1.00 21.35 H new ATOM 968 N ASP A 70 -4.253 7.080 7.328 1.00 45.35 N ATOM 969 CA ASP A 70 -4.418 8.119 6.313 1.00 63.31 C ATOM 970 C ASP A 70 -3.161 8.224 5.458 1.00 64.31 C ATOM 971 O ASP A 70 -3.228 8.315 4.228 1.00 52.33 O ATOM 972 CB ASP A 70 -4.713 9.476 6.974 1.00 60.51 C ATOM 973 CG ASP A 70 -6.022 9.481 7.751 1.00 22.33 C ATOM 974 OD1 ASP A 70 -7.015 10.065 7.261 1.00 41.12 O ATOM 975 OD2 ASP A 70 -6.062 8.916 8.865 1.00 54.25 O ATOM 0 H ASP A 70 -4.394 7.404 8.285 1.00 45.35 H new ATOM 0 HA ASP A 70 -5.261 7.847 5.677 1.00 63.31 H new ATOM 0 HB2 ASP A 70 -3.895 9.733 7.647 1.00 60.51 H new ATOM 0 HB3 ASP A 70 -4.748 10.249 6.206 1.00 60.51 H new ATOM 980 N VAL A 71 -2.014 8.181 6.127 1.00 53.11 N ATOM 981 CA VAL A 71 -0.726 8.313 5.462 1.00 32.33 C ATOM 982 C VAL A 71 -0.476 7.134 4.521 1.00 42.45 C ATOM 983 O VAL A 71 -0.198 7.332 3.338 1.00 53.34 O ATOM 984 CB VAL A 71 0.432 8.414 6.488 1.00 62.23 C ATOM 985 CG1 VAL A 71 1.776 8.610 5.784 1.00 24.54 C ATOM 986 CG2 VAL A 71 0.170 9.541 7.488 1.00 70.31 C ATOM 0 H VAL A 71 -1.952 8.055 7.137 1.00 53.11 H new ATOM 0 HA VAL A 71 -0.755 9.234 4.880 1.00 32.33 H new ATOM 0 HB VAL A 71 0.479 7.474 7.038 1.00 62.23 H new ATOM 0 HG11 VAL A 71 2.570 8.678 6.528 1.00 24.54 H new ATOM 0 HG12 VAL A 71 1.968 7.764 5.124 1.00 24.54 H new ATOM 0 HG13 VAL A 71 1.749 9.528 5.198 1.00 24.54 H new ATOM 0 HG21 VAL A 71 0.994 9.595 8.199 1.00 70.31 H new ATOM 0 HG22 VAL A 71 0.088 10.488 6.955 1.00 70.31 H new ATOM 0 HG23 VAL A 71 -0.759 9.344 8.023 1.00 70.31 H new ATOM 996 N ILE A 72 -0.604 5.908 5.038 1.00 74.12 N ATOM 997 CA ILE A 72 -0.321 4.714 4.242 1.00 73.34 C ATOM 998 C ILE A 72 -1.265 4.619 3.045 1.00 64.44 C ATOM 999 O ILE A 72 -0.858 4.221 1.951 1.00 53.31 O ATOM 1000 CB ILE A 72 -0.391 3.418 5.080 1.00 22.02 C ATOM 1001 CG1 ILE A 72 -1.804 3.196 5.626 1.00 35.11 C ATOM 1002 CG2 ILE A 72 0.631 3.466 6.218 1.00 11.32 C ATOM 1003 CD1 ILE A 72 -1.943 1.915 6.400 1.00 41.13 C ATOM 0 H ILE A 72 -0.899 5.719 5.996 1.00 74.12 H new ATOM 0 HA ILE A 72 0.702 4.815 3.880 1.00 73.34 H new ATOM 0 HB ILE A 72 -0.147 2.576 4.432 1.00 22.02 H new ATOM 0 HG12 ILE A 72 -2.074 4.033 6.269 1.00 35.11 H new ATOM 0 HG13 ILE A 72 -2.511 3.191 4.796 1.00 35.11 H new ATOM 0 HG21 ILE A 72 0.571 2.547 6.800 1.00 11.32 H new ATOM 0 HG22 ILE A 72 1.634 3.567 5.803 1.00 11.32 H new ATOM 0 HG23 ILE A 72 0.418 4.318 6.863 1.00 11.32 H new ATOM 0 HD11 ILE A 72 -2.967 1.817 6.760 1.00 41.13 H new ATOM 0 HD12 ILE A 72 -1.703 1.071 5.753 1.00 41.13 H new ATOM 0 HD13 ILE A 72 -1.260 1.927 7.249 1.00 41.13 H new ATOM 1015 N GLU A 73 -2.521 5.013 3.254 1.00 64.42 N ATOM 1016 CA GLU A 73 -3.503 5.051 2.179 1.00 44.42 C ATOM 1017 C GLU A 73 -3.075 6.044 1.112 1.00 4.22 C ATOM 1018 O GLU A 73 -3.092 5.731 -0.078 1.00 42.23 O ATOM 1019 CB GLU A 73 -4.886 5.432 2.717 1.00 42.55 C ATOM 1020 CG GLU A 73 -5.525 4.348 3.566 1.00 44.52 C ATOM 1021 CD GLU A 73 -6.887 4.760 4.102 1.00 44.21 C ATOM 1022 OE1 GLU A 73 -6.954 5.306 5.230 1.00 20.23 O ATOM 1023 OE2 GLU A 73 -7.898 4.541 3.400 1.00 40.42 O ATOM 0 H GLU A 73 -2.880 5.310 4.161 1.00 64.42 H new ATOM 0 HA GLU A 73 -3.564 4.055 1.739 1.00 44.42 H new ATOM 0 HB2 GLU A 73 -4.798 6.342 3.310 1.00 42.55 H new ATOM 0 HB3 GLU A 73 -5.543 5.660 1.878 1.00 42.55 H new ATOM 0 HG2 GLU A 73 -5.631 3.440 2.972 1.00 44.52 H new ATOM 0 HG3 GLU A 73 -4.866 4.108 4.401 1.00 44.52 H new ATOM 1030 N ASP A 74 -2.678 7.234 1.552 1.00 3.31 N ATOM 1031 CA ASP A 74 -2.250 8.286 0.637 1.00 3.30 C ATOM 1032 C ASP A 74 -1.047 7.836 -0.185 1.00 2.00 C ATOM 1033 O ASP A 74 -1.049 7.963 -1.405 1.00 23.43 O ATOM 1034 CB ASP A 74 -1.915 9.571 1.401 1.00 73.32 C ATOM 1035 CG ASP A 74 -1.473 10.700 0.478 1.00 74.03 C ATOM 1036 OD1 ASP A 74 -0.264 11.011 0.444 1.00 1.22 O ATOM 1037 OD2 ASP A 74 -2.336 11.284 -0.214 1.00 64.12 O ATOM 0 H ASP A 74 -2.644 7.494 2.538 1.00 3.31 H new ATOM 0 HA ASP A 74 -3.077 8.492 -0.043 1.00 3.30 H new ATOM 0 HB2 ASP A 74 -2.789 9.891 1.968 1.00 73.32 H new ATOM 0 HB3 ASP A 74 -1.124 9.365 2.123 1.00 73.32 H new ATOM 1042 N GLN A 75 -0.036 7.282 0.486 1.00 71.31 N ATOM 1043 CA GLN A 75 1.191 6.854 -0.189 1.00 22.25 C ATOM 1044 C GLN A 75 0.885 5.763 -1.219 1.00 74.45 C ATOM 1045 O GLN A 75 1.273 5.867 -2.386 1.00 52.54 O ATOM 1046 CB GLN A 75 2.227 6.334 0.825 1.00 70.14 C ATOM 1047 CG GLN A 75 2.525 7.289 1.981 1.00 14.34 C ATOM 1048 CD GLN A 75 2.914 8.687 1.530 1.00 33.44 C ATOM 1049 OE1 GLN A 75 1.928 9.561 1.396 1.00 51.05 O flip ATOM 1050 NE2 GLN A 75 4.090 8.988 1.321 1.00 71.21 N flip ATOM 0 H GLN A 75 -0.042 7.119 1.493 1.00 71.31 H new ATOM 0 HA GLN A 75 1.609 7.721 -0.700 1.00 22.25 H new ATOM 0 HB2 GLN A 75 1.871 5.389 1.235 1.00 70.14 H new ATOM 0 HB3 GLN A 75 3.157 6.123 0.297 1.00 70.14 H new ATOM 0 HG2 GLN A 75 1.646 7.355 2.623 1.00 14.34 H new ATOM 0 HG3 GLN A 75 3.331 6.874 2.586 1.00 14.34 H new ATOM 0 HE21 GLN A 75 4.823 8.288 1.434 1.00 71.21 H new ATOM 0 HE22 GLN A 75 4.330 9.937 1.035 1.00 71.21 H new ATOM 1059 N SER A 76 0.173 4.729 -0.778 1.00 3.24 N ATOM 1060 CA SER A 76 -0.170 3.602 -1.640 1.00 62.22 C ATOM 1061 C SER A 76 -1.005 4.076 -2.833 1.00 43.51 C ATOM 1062 O SER A 76 -0.625 3.872 -3.993 1.00 72.12 O ATOM 1063 CB SER A 76 -0.930 2.536 -0.836 1.00 13.22 C ATOM 1064 OG SER A 76 -1.188 1.380 -1.616 1.00 3.24 O ATOM 0 H SER A 76 -0.179 4.649 0.176 1.00 3.24 H new ATOM 0 HA SER A 76 0.750 3.159 -2.022 1.00 62.22 H new ATOM 0 HB2 SER A 76 -0.349 2.260 0.044 1.00 13.22 H new ATOM 0 HB3 SER A 76 -1.872 2.952 -0.478 1.00 13.22 H new ATOM 0 HG SER A 76 -1.671 0.721 -1.075 1.00 3.24 H new ATOM 1070 N ARG A 77 -2.125 4.735 -2.536 1.00 73.01 N ATOM 1071 CA ARG A 77 -3.025 5.247 -3.566 1.00 44.31 C ATOM 1072 C ARG A 77 -2.272 6.152 -4.538 1.00 2.40 C ATOM 1073 O ARG A 77 -2.467 6.072 -5.753 1.00 21.42 O ATOM 1074 CB ARG A 77 -4.171 6.041 -2.922 1.00 13.25 C ATOM 1075 CG ARG A 77 -5.200 6.562 -3.921 1.00 34.12 C ATOM 1076 CD ARG A 77 -6.181 7.531 -3.270 1.00 44.32 C ATOM 1077 NE ARG A 77 -6.955 6.908 -2.189 1.00 70.11 N ATOM 1078 CZ ARG A 77 -7.781 7.583 -1.381 1.00 0.41 C ATOM 1079 NH1 ARG A 77 -7.890 8.904 -1.489 1.00 61.21 N ATOM 1080 NH2 ARG A 77 -8.484 6.944 -0.449 1.00 4.34 N ATOM 0 H ARG A 77 -2.431 4.927 -1.582 1.00 73.01 H new ATOM 0 HA ARG A 77 -3.432 4.396 -4.113 1.00 44.31 H new ATOM 0 HB2 ARG A 77 -4.675 5.406 -2.194 1.00 13.25 H new ATOM 0 HB3 ARG A 77 -3.752 6.885 -2.373 1.00 13.25 H new ATOM 0 HG2 ARG A 77 -4.688 7.061 -4.743 1.00 34.12 H new ATOM 0 HG3 ARG A 77 -5.748 5.723 -4.349 1.00 34.12 H new ATOM 0 HD2 ARG A 77 -5.633 8.386 -2.874 1.00 44.32 H new ATOM 0 HD3 ARG A 77 -6.865 7.914 -4.028 1.00 44.32 H new ATOM 0 HE ARG A 77 -6.857 5.903 -2.046 1.00 70.11 H new ATOM 0 HH11 ARG A 77 -7.343 9.405 -2.189 1.00 61.21 H new ATOM 0 HH12 ARG A 77 -8.520 9.416 -0.872 1.00 61.21 H new ATOM 0 HH21 ARG A 77 -8.395 5.933 -0.347 1.00 4.34 H new ATOM 0 HH22 ARG A 77 -9.112 7.465 0.163 1.00 4.34 H new ATOM 1094 N SER A 78 -1.398 6.990 -3.984 1.00 40.30 N ATOM 1095 CA SER A 78 -0.671 7.989 -4.760 1.00 11.15 C ATOM 1096 C SER A 78 0.050 7.341 -5.935 1.00 5.22 C ATOM 1097 O SER A 78 -0.117 7.759 -7.082 1.00 60.21 O ATOM 1098 CB SER A 78 0.332 8.736 -3.863 1.00 62.21 C ATOM 1099 OG SER A 78 0.942 9.820 -4.548 1.00 41.20 O ATOM 0 H SER A 78 -1.175 6.995 -2.989 1.00 40.30 H new ATOM 0 HA SER A 78 -1.391 8.706 -5.154 1.00 11.15 H new ATOM 0 HB2 SER A 78 -0.180 9.108 -2.976 1.00 62.21 H new ATOM 0 HB3 SER A 78 1.101 8.043 -3.521 1.00 62.21 H new ATOM 0 HG SER A 78 1.571 10.273 -3.949 1.00 41.20 H new ATOM 1105 N ALA A 79 0.848 6.312 -5.658 1.00 3.24 N ATOM 1106 CA ALA A 79 1.602 5.650 -6.714 1.00 65.33 C ATOM 1107 C ALA A 79 0.694 4.766 -7.573 1.00 21.10 C ATOM 1108 O ALA A 79 0.602 4.964 -8.789 1.00 54.51 O ATOM 1109 CB ALA A 79 2.736 4.822 -6.115 1.00 2.34 C ATOM 0 H ALA A 79 0.987 5.925 -4.725 1.00 3.24 H new ATOM 0 HA ALA A 79 2.028 6.420 -7.358 1.00 65.33 H new ATOM 0 HB1 ALA A 79 3.291 4.333 -6.915 1.00 2.34 H new ATOM 0 HB2 ALA A 79 3.406 5.474 -5.555 1.00 2.34 H new ATOM 0 HB3 ALA A 79 2.322 4.067 -5.447 1.00 2.34 H new ATOM 1115 N LEU A 80 -0.071 3.886 -6.916 1.00 3.21 N ATOM 1116 CA LEU A 80 -0.851 2.857 -7.618 1.00 21.14 C ATOM 1117 C LEU A 80 -1.756 3.484 -8.667 1.00 34.22 C ATOM 1118 O LEU A 80 -1.848 3.005 -9.802 1.00 25.54 O ATOM 1119 CB LEU A 80 -1.694 2.039 -6.624 1.00 0.30 C ATOM 1120 CG LEU A 80 -0.901 1.167 -5.635 1.00 60.43 C ATOM 1121 CD1 LEU A 80 -1.846 0.425 -4.694 1.00 63.43 C ATOM 1122 CD2 LEU A 80 0.004 0.184 -6.378 1.00 3.13 C ATOM 0 H LEU A 80 -0.167 3.865 -5.901 1.00 3.21 H new ATOM 0 HA LEU A 80 -0.148 2.190 -8.116 1.00 21.14 H new ATOM 0 HB2 LEU A 80 -2.318 2.727 -6.054 1.00 0.30 H new ATOM 0 HB3 LEU A 80 -2.366 1.394 -7.191 1.00 0.30 H new ATOM 0 HG LEU A 80 -0.268 1.823 -5.038 1.00 60.43 H new ATOM 0 HD11 LEU A 80 -1.266 -0.186 -4.003 1.00 63.43 H new ATOM 0 HD12 LEU A 80 -2.439 1.146 -4.131 1.00 63.43 H new ATOM 0 HD13 LEU A 80 -2.509 -0.216 -5.275 1.00 63.43 H new ATOM 0 HD21 LEU A 80 0.554 -0.421 -5.657 1.00 3.13 H new ATOM 0 HD22 LEU A 80 -0.604 -0.466 -7.008 1.00 3.13 H new ATOM 0 HD23 LEU A 80 0.708 0.737 -7.000 1.00 3.13 H new ATOM 1134 N VAL A 81 -2.406 4.564 -8.273 1.00 72.44 N ATOM 1135 CA VAL A 81 -3.282 5.316 -9.156 1.00 61.25 C ATOM 1136 C VAL A 81 -2.465 6.304 -9.992 1.00 33.35 C ATOM 1137 O VAL A 81 -2.845 6.647 -11.114 1.00 61.41 O ATOM 1138 CB VAL A 81 -4.381 6.064 -8.355 1.00 44.12 C ATOM 1139 CG1 VAL A 81 -5.348 6.790 -9.290 1.00 12.52 C ATOM 1140 CG2 VAL A 81 -5.135 5.089 -7.449 1.00 21.11 C ATOM 0 H VAL A 81 -2.342 4.946 -7.329 1.00 72.44 H new ATOM 0 HA VAL A 81 -3.777 4.611 -9.823 1.00 61.25 H new ATOM 0 HB VAL A 81 -3.895 6.814 -7.731 1.00 44.12 H new ATOM 0 HG11 VAL A 81 -6.107 7.305 -8.700 1.00 12.52 H new ATOM 0 HG12 VAL A 81 -4.799 7.517 -9.889 1.00 12.52 H new ATOM 0 HG13 VAL A 81 -5.829 6.067 -9.949 1.00 12.52 H new ATOM 0 HG21 VAL A 81 -5.903 5.628 -6.894 1.00 21.11 H new ATOM 0 HG22 VAL A 81 -5.603 4.315 -8.057 1.00 21.11 H new ATOM 0 HG23 VAL A 81 -4.437 4.628 -6.750 1.00 21.11 H new ATOM 1150 N GLY A 82 -1.324 6.736 -9.450 1.00 20.44 N ATOM 1151 CA GLY A 82 -0.576 7.828 -10.051 1.00 43.42 C ATOM 1152 C GLY A 82 -0.055 7.482 -11.426 1.00 1.44 C ATOM 1153 O GLY A 82 -0.210 8.257 -12.374 1.00 33.51 O ATOM 0 H GLY A 82 -0.906 6.347 -8.605 1.00 20.44 H new ATOM 0 HA2 GLY A 82 -1.215 8.708 -10.119 1.00 43.42 H new ATOM 0 HA3 GLY A 82 0.261 8.091 -9.404 1.00 43.42 H new ATOM 1157 N SER A 83 0.561 6.314 -11.536 1.00 13.42 N ATOM 1158 CA SER A 83 1.078 5.837 -12.812 1.00 62.23 C ATOM 1159 C SER A 83 0.024 5.002 -13.535 1.00 50.20 C ATOM 1160 O SER A 83 0.153 4.704 -14.725 1.00 42.12 O ATOM 1161 CB SER A 83 2.347 5.022 -12.580 1.00 43.14 C ATOM 1162 OG SER A 83 3.256 5.735 -11.760 1.00 74.31 O ATOM 0 H SER A 83 0.716 5.677 -10.755 1.00 13.42 H new ATOM 0 HA SER A 83 1.321 6.693 -13.442 1.00 62.23 H new ATOM 0 HB2 SER A 83 2.094 4.071 -12.110 1.00 43.14 H new ATOM 0 HB3 SER A 83 2.816 4.790 -13.536 1.00 43.14 H new ATOM 0 HG SER A 83 4.089 5.889 -12.252 1.00 74.31 H new ATOM 1168 N GLY A 84 -1.027 4.639 -12.808 1.00 54.41 N ATOM 1169 CA GLY A 84 -2.125 3.891 -13.391 1.00 73.10 C ATOM 1170 C GLY A 84 -1.882 2.394 -13.413 1.00 13.22 C ATOM 1171 O GLY A 84 -2.162 1.730 -14.413 1.00 4.41 O ATOM 0 H GLY A 84 -1.138 4.852 -11.817 1.00 54.41 H new ATOM 0 HA2 GLY A 84 -3.036 4.097 -12.828 1.00 73.10 H new ATOM 0 HA3 GLY A 84 -2.294 4.240 -14.410 1.00 73.10 H new ATOM 1175 N LEU A 85 -1.353 1.858 -12.313 1.00 2.35 N ATOM 1176 CA LEU A 85 -1.201 0.411 -12.167 1.00 22.15 C ATOM 1177 C LEU A 85 -2.575 -0.199 -11.926 1.00 53.20 C ATOM 1178 O LEU A 85 -2.949 -1.209 -12.531 1.00 71.13 O ATOM 1179 CB LEU A 85 -0.257 0.051 -11.001 1.00 20.13 C ATOM 1180 CG LEU A 85 1.221 0.454 -11.170 1.00 60.32 C ATOM 1181 CD1 LEU A 85 1.792 -0.092 -12.477 1.00 53.14 C ATOM 1182 CD2 LEU A 85 1.393 1.968 -11.085 1.00 64.35 C ATOM 0 H LEU A 85 -1.024 2.401 -11.514 1.00 2.35 H new ATOM 0 HA LEU A 85 -0.759 0.012 -13.080 1.00 22.15 H new ATOM 0 HB2 LEU A 85 -0.638 0.521 -10.094 1.00 20.13 H new ATOM 0 HB3 LEU A 85 -0.302 -1.027 -10.844 1.00 20.13 H new ATOM 0 HG LEU A 85 1.783 0.010 -10.348 1.00 60.32 H new ATOM 0 HD11 LEU A 85 2.836 0.207 -12.571 1.00 53.14 H new ATOM 0 HD12 LEU A 85 1.725 -1.180 -12.477 1.00 53.14 H new ATOM 0 HD13 LEU A 85 1.223 0.307 -13.317 1.00 53.14 H new ATOM 0 HD21 LEU A 85 2.446 2.222 -11.208 1.00 64.35 H new ATOM 0 HD22 LEU A 85 0.810 2.445 -11.873 1.00 64.35 H new ATOM 0 HD23 LEU A 85 1.046 2.320 -10.113 1.00 64.35 H new ATOM 1194 N VAL A 86 -3.324 0.446 -11.037 1.00 53.41 N ATOM 1195 CA VAL A 86 -4.707 0.084 -10.739 1.00 11.34 C ATOM 1196 C VAL A 86 -5.500 1.354 -10.459 1.00 43.31 C ATOM 1197 O VAL A 86 -4.916 2.411 -10.205 1.00 33.01 O ATOM 1198 CB VAL A 86 -4.825 -0.868 -9.514 1.00 2.25 C ATOM 1199 CG1 VAL A 86 -4.182 -2.225 -9.804 1.00 33.32 C ATOM 1200 CG2 VAL A 86 -4.211 -0.228 -8.269 1.00 23.24 C ATOM 0 H VAL A 86 -2.985 1.243 -10.498 1.00 53.41 H new ATOM 0 HA VAL A 86 -5.103 -0.446 -11.605 1.00 11.34 H new ATOM 0 HB VAL A 86 -5.885 -1.037 -9.322 1.00 2.25 H new ATOM 0 HG11 VAL A 86 -4.280 -2.868 -8.930 1.00 33.32 H new ATOM 0 HG12 VAL A 86 -4.681 -2.690 -10.654 1.00 33.32 H new ATOM 0 HG13 VAL A 86 -3.126 -2.085 -10.035 1.00 33.32 H new ATOM 0 HG21 VAL A 86 -4.305 -0.911 -7.425 1.00 23.24 H new ATOM 0 HG22 VAL A 86 -3.157 -0.018 -8.450 1.00 23.24 H new ATOM 0 HG23 VAL A 86 -4.733 0.702 -8.043 1.00 23.24 H new ATOM 1210 N ASP A 87 -6.820 1.260 -10.526 1.00 42.12 N ATOM 1211 CA ASP A 87 -7.682 2.401 -10.226 1.00 31.44 C ATOM 1212 C ASP A 87 -8.260 2.262 -8.827 1.00 71.01 C ATOM 1213 O ASP A 87 -8.263 3.211 -8.038 1.00 14.52 O ATOM 1214 CB ASP A 87 -8.827 2.512 -11.244 1.00 43.22 C ATOM 1215 CG ASP A 87 -8.343 2.705 -12.671 1.00 14.32 C ATOM 1216 OD1 ASP A 87 -8.335 1.720 -13.441 1.00 25.44 O ATOM 1217 OD2 ASP A 87 -7.979 3.843 -13.032 1.00 23.52 O ATOM 0 H ASP A 87 -7.319 0.409 -10.784 1.00 42.12 H new ATOM 0 HA ASP A 87 -7.076 3.305 -10.285 1.00 31.44 H new ATOM 0 HB2 ASP A 87 -9.438 1.611 -11.193 1.00 43.22 H new ATOM 0 HB3 ASP A 87 -9.469 3.349 -10.969 1.00 43.22 H new ATOM 1222 N ASP A 88 -8.732 1.059 -8.524 1.00 55.44 N ATOM 1223 CA ASP A 88 -9.412 0.781 -7.268 1.00 61.45 C ATOM 1224 C ASP A 88 -8.455 0.084 -6.305 1.00 32.33 C ATOM 1225 O ASP A 88 -7.742 -0.846 -6.690 1.00 45.32 O ATOM 1226 CB ASP A 88 -10.642 -0.102 -7.532 1.00 14.32 C ATOM 1227 CG ASP A 88 -11.531 0.451 -8.640 1.00 64.31 C ATOM 1228 OD1 ASP A 88 -11.170 0.305 -9.835 1.00 43.04 O ATOM 1229 OD2 ASP A 88 -12.584 1.039 -8.331 1.00 33.43 O ATOM 0 H ASP A 88 -8.654 0.251 -9.142 1.00 55.44 H new ATOM 0 HA ASP A 88 -9.740 1.718 -6.818 1.00 61.45 H new ATOM 0 HB2 ASP A 88 -10.313 -1.106 -7.801 1.00 14.32 H new ATOM 0 HB3 ASP A 88 -11.224 -0.192 -6.615 1.00 14.32 H new ATOM 1234 N ILE A 89 -8.427 0.544 -5.061 1.00 75.30 N ATOM 1235 CA ILE A 89 -7.551 -0.034 -4.046 1.00 51.30 C ATOM 1236 C ILE A 89 -8.353 -0.403 -2.801 1.00 74.04 C ATOM 1237 O ILE A 89 -9.423 0.153 -2.551 1.00 14.52 O ATOM 1238 CB ILE A 89 -6.413 0.939 -3.629 1.00 42.22 C ATOM 1239 CG1 ILE A 89 -6.994 2.179 -2.927 1.00 52.52 C ATOM 1240 CG2 ILE A 89 -5.571 1.350 -4.838 1.00 71.15 C ATOM 1241 CD1 ILE A 89 -5.941 3.082 -2.314 1.00 13.44 C ATOM 0 H ILE A 89 -9.002 1.318 -4.728 1.00 75.30 H new ATOM 0 HA ILE A 89 -7.103 -0.923 -4.489 1.00 51.30 H new ATOM 0 HB ILE A 89 -5.762 0.417 -2.928 1.00 42.22 H new ATOM 0 HG12 ILE A 89 -7.578 2.753 -3.647 1.00 52.52 H new ATOM 0 HG13 ILE A 89 -7.681 1.855 -2.146 1.00 52.52 H new ATOM 0 HG21 ILE A 89 -4.782 2.031 -4.518 1.00 71.15 H new ATOM 0 HG22 ILE A 89 -5.124 0.464 -5.289 1.00 71.15 H new ATOM 0 HG23 ILE A 89 -6.205 1.849 -5.571 1.00 71.15 H new ATOM 0 HD11 ILE A 89 -6.425 3.934 -1.837 1.00 13.44 H new ATOM 0 HD12 ILE A 89 -5.372 2.525 -1.570 1.00 13.44 H new ATOM 0 HD13 ILE A 89 -5.267 3.437 -3.094 1.00 13.44 H new ATOM 1253 N ARG A 90 -7.831 -1.342 -2.027 1.00 11.33 N ATOM 1254 CA ARG A 90 -8.412 -1.692 -0.739 1.00 54.50 C ATOM 1255 C ARG A 90 -7.320 -2.187 0.201 1.00 11.21 C ATOM 1256 O ARG A 90 -6.797 -3.290 0.035 1.00 33.23 O ATOM 1257 CB ARG A 90 -9.497 -2.765 -0.895 1.00 41.22 C ATOM 1258 CG ARG A 90 -10.093 -3.238 0.433 1.00 51.03 C ATOM 1259 CD ARG A 90 -10.755 -2.100 1.220 1.00 23.52 C ATOM 1260 NE ARG A 90 -10.064 -1.812 2.483 1.00 60.20 N ATOM 1261 CZ ARG A 90 -10.588 -1.079 3.474 1.00 74.10 C ATOM 1262 NH1 ARG A 90 -11.790 -0.531 3.343 1.00 50.40 N ATOM 1263 NH2 ARG A 90 -9.923 -0.914 4.605 1.00 71.32 N ATOM 0 H ARG A 90 -6.999 -1.880 -2.271 1.00 11.33 H new ATOM 0 HA ARG A 90 -8.877 -0.800 -0.319 1.00 54.50 H new ATOM 0 HB2 ARG A 90 -10.297 -2.371 -1.522 1.00 41.22 H new ATOM 0 HB3 ARG A 90 -9.074 -3.622 -1.419 1.00 41.22 H new ATOM 0 HG2 ARG A 90 -10.830 -4.018 0.239 1.00 51.03 H new ATOM 0 HG3 ARG A 90 -9.307 -3.686 1.041 1.00 51.03 H new ATOM 0 HD2 ARG A 90 -10.772 -1.200 0.606 1.00 23.52 H new ATOM 0 HD3 ARG A 90 -11.792 -2.363 1.429 1.00 23.52 H new ATOM 0 HE ARG A 90 -9.127 -2.194 2.614 1.00 60.20 H new ATOM 0 HH11 ARG A 90 -12.321 -0.667 2.483 1.00 50.40 H new ATOM 0 HH12 ARG A 90 -12.182 0.026 4.102 1.00 50.40 H new ATOM 0 HH21 ARG A 90 -9.007 -1.346 4.726 1.00 71.32 H new ATOM 0 HH22 ARG A 90 -10.326 -0.355 5.357 1.00 71.32 H new ATOM 1277 N ILE A 91 -6.968 -1.359 1.172 1.00 11.30 N ATOM 1278 CA ILE A 91 -6.019 -1.748 2.202 1.00 21.24 C ATOM 1279 C ILE A 91 -6.784 -2.257 3.416 1.00 63.00 C ATOM 1280 O ILE A 91 -7.446 -1.483 4.102 1.00 31.33 O ATOM 1281 CB ILE A 91 -5.110 -0.561 2.620 1.00 5.03 C ATOM 1282 CG1 ILE A 91 -4.364 0.005 1.397 1.00 0.13 C ATOM 1283 CG2 ILE A 91 -4.120 -0.999 3.701 1.00 73.10 C ATOM 1284 CD1 ILE A 91 -3.495 1.208 1.711 1.00 75.22 C ATOM 0 H ILE A 91 -7.327 -0.409 1.268 1.00 11.30 H new ATOM 0 HA ILE A 91 -5.378 -2.533 1.799 1.00 21.24 H new ATOM 0 HB ILE A 91 -5.740 0.228 3.032 1.00 5.03 H new ATOM 0 HG12 ILE A 91 -3.740 -0.780 0.969 1.00 0.13 H new ATOM 0 HG13 ILE A 91 -5.093 0.284 0.636 1.00 0.13 H new ATOM 0 HG21 ILE A 91 -3.491 -0.154 3.982 1.00 73.10 H new ATOM 0 HG22 ILE A 91 -4.668 -1.350 4.575 1.00 73.10 H new ATOM 0 HG23 ILE A 91 -3.495 -1.805 3.317 1.00 73.10 H new ATOM 0 HD11 ILE A 91 -3.003 1.549 0.800 1.00 75.22 H new ATOM 0 HD12 ILE A 91 -4.115 2.010 2.111 1.00 75.22 H new ATOM 0 HD13 ILE A 91 -2.742 0.930 2.448 1.00 75.22 H new ATOM 1296 N ASN A 92 -6.725 -3.559 3.658 1.00 14.13 N ATOM 1297 CA ASN A 92 -7.420 -4.163 4.792 1.00 64.01 C ATOM 1298 C ASN A 92 -6.516 -4.129 6.016 1.00 10.22 C ATOM 1299 O ASN A 92 -5.398 -4.652 5.985 1.00 1.14 O ATOM 1300 CB ASN A 92 -7.832 -5.605 4.469 1.00 54.33 C ATOM 1301 CG ASN A 92 -8.500 -6.305 5.645 1.00 75.11 C ATOM 1302 OD1 ASN A 92 -7.710 -7.007 6.439 1.00 33.35 O flip ATOM 1303 ND2 ASN A 92 -9.717 -6.238 5.821 1.00 53.20 N flip ATOM 0 H ASN A 92 -6.202 -4.221 3.084 1.00 14.13 H new ATOM 0 HA ASN A 92 -8.326 -3.593 4.999 1.00 64.01 H new ATOM 0 HB2 ASN A 92 -8.514 -5.601 3.619 1.00 54.33 H new ATOM 0 HB3 ASN A 92 -6.951 -6.171 4.168 1.00 54.33 H new ATOM 0 HD21 ASN A 92 -10.294 -5.686 5.187 1.00 53.20 H new ATOM 0 HD22 ASN A 92 -10.148 -6.735 6.601 1.00 53.20 H new ATOM 1310 N TRP A 93 -6.984 -3.494 7.081 1.00 5.11 N ATOM 1311 CA TRP A 93 -6.184 -3.334 8.287 1.00 72.42 C ATOM 1312 C TRP A 93 -6.556 -4.398 9.308 1.00 22.11 C ATOM 1313 O TRP A 93 -7.645 -4.365 9.883 1.00 12.12 O ATOM 1314 CB TRP A 93 -6.382 -1.938 8.889 1.00 25.21 C ATOM 1315 CG TRP A 93 -6.186 -0.834 7.898 1.00 40.01 C ATOM 1316 CD1 TRP A 93 -5.015 -0.455 7.307 1.00 71.51 C ATOM 1317 CD2 TRP A 93 -7.196 0.038 7.383 1.00 34.34 C ATOM 1318 NE1 TRP A 93 -5.237 0.595 6.454 1.00 23.30 N ATOM 1319 CE2 TRP A 93 -6.568 0.915 6.484 1.00 31.04 C ATOM 1320 CE3 TRP A 93 -8.573 0.160 7.596 1.00 62.22 C ATOM 1321 CZ2 TRP A 93 -7.268 1.900 5.796 1.00 33.34 C ATOM 1322 CZ3 TRP A 93 -9.266 1.141 6.915 1.00 72.11 C ATOM 1323 CH2 TRP A 93 -8.613 1.999 6.022 1.00 12.51 C ATOM 0 H TRP A 93 -7.915 -3.081 7.135 1.00 5.11 H new ATOM 0 HA TRP A 93 -5.134 -3.449 8.019 1.00 72.42 H new ATOM 0 HB2 TRP A 93 -7.387 -1.869 9.306 1.00 25.21 H new ATOM 0 HB3 TRP A 93 -5.684 -1.804 9.715 1.00 25.21 H new ATOM 0 HD1 TRP A 93 -4.054 -0.915 7.485 1.00 71.51 H new ATOM 0 HE1 TRP A 93 -4.527 1.061 5.889 1.00 23.30 H new ATOM 0 HE3 TRP A 93 -9.085 -0.501 8.280 1.00 62.22 H new ATOM 0 HZ2 TRP A 93 -6.767 2.564 5.107 1.00 33.34 H new ATOM 0 HZ3 TRP A 93 -10.329 1.248 7.074 1.00 72.11 H new ATOM 0 HH2 TRP A 93 -9.183 2.754 5.501 1.00 12.51 H new ATOM 1334 N VAL A 94 -5.663 -5.355 9.523 1.00 71.54 N ATOM 1335 CA VAL A 94 -5.902 -6.378 10.530 1.00 11.41 C ATOM 1336 C VAL A 94 -5.405 -5.887 11.891 1.00 51.14 C ATOM 1337 O VAL A 94 -4.246 -5.497 12.042 1.00 12.23 O ATOM 1338 CB VAL A 94 -5.237 -7.735 10.161 1.00 24.13 C ATOM 1339 CG1 VAL A 94 -5.782 -8.255 8.831 1.00 53.11 C ATOM 1340 CG2 VAL A 94 -3.714 -7.623 10.113 1.00 64.14 C ATOM 0 H VAL A 94 -4.779 -5.444 9.021 1.00 71.54 H new ATOM 0 HA VAL A 94 -6.976 -6.556 10.576 1.00 11.41 H new ATOM 0 HB VAL A 94 -5.488 -8.449 10.945 1.00 24.13 H new ATOM 0 HG11 VAL A 94 -5.305 -9.205 8.589 1.00 53.11 H new ATOM 0 HG12 VAL A 94 -6.859 -8.399 8.911 1.00 53.11 H new ATOM 0 HG13 VAL A 94 -5.570 -7.532 8.043 1.00 53.11 H new ATOM 0 HG21 VAL A 94 -3.286 -8.591 9.852 1.00 64.14 H new ATOM 0 HG22 VAL A 94 -3.427 -6.885 9.364 1.00 64.14 H new ATOM 0 HG23 VAL A 94 -3.341 -7.313 11.089 1.00 64.14 H new ATOM 1350 N TRP A 95 -6.298 -5.882 12.873 1.00 60.44 N ATOM 1351 CA TRP A 95 -5.974 -5.415 14.221 1.00 33.24 C ATOM 1352 C TRP A 95 -5.995 -6.592 15.191 1.00 60.14 C ATOM 1353 O TRP A 95 -5.198 -6.675 16.126 1.00 43.12 O ATOM 1354 CB TRP A 95 -6.995 -4.353 14.662 1.00 0.04 C ATOM 1355 CG TRP A 95 -7.317 -3.346 13.592 1.00 72.45 C ATOM 1356 CD1 TRP A 95 -6.494 -2.375 13.101 1.00 51.52 C ATOM 1357 CD2 TRP A 95 -8.554 -3.217 12.878 1.00 10.42 C ATOM 1358 NE1 TRP A 95 -7.146 -1.641 12.143 1.00 50.41 N ATOM 1359 CE2 TRP A 95 -8.411 -2.140 11.983 1.00 11.30 C ATOM 1360 CE3 TRP A 95 -9.770 -3.906 12.913 1.00 12.15 C ATOM 1361 CZ2 TRP A 95 -9.435 -1.738 11.129 1.00 32.24 C ATOM 1362 CZ3 TRP A 95 -10.786 -3.507 12.064 1.00 42.34 C ATOM 1363 CH2 TRP A 95 -10.615 -2.432 11.183 1.00 63.54 C ATOM 0 H TRP A 95 -7.261 -6.199 12.762 1.00 60.44 H new ATOM 0 HA TRP A 95 -4.978 -4.972 14.220 1.00 33.24 H new ATOM 0 HB2 TRP A 95 -7.915 -4.851 14.969 1.00 0.04 H new ATOM 0 HB3 TRP A 95 -6.608 -3.830 15.537 1.00 0.04 H new ATOM 0 HD1 TRP A 95 -5.476 -2.208 13.421 1.00 51.52 H new ATOM 0 HE1 TRP A 95 -6.752 -0.851 11.632 1.00 50.41 H new ATOM 0 HE3 TRP A 95 -9.913 -4.735 13.591 1.00 12.15 H new ATOM 0 HZ2 TRP A 95 -9.304 -0.909 10.449 1.00 32.24 H new ATOM 0 HZ3 TRP A 95 -11.729 -4.034 12.081 1.00 42.34 H new ATOM 0 HH2 TRP A 95 -11.429 -2.145 10.534 1.00 63.54 H new ATOM 1374 N ASN A 96 -6.919 -7.502 14.923 1.00 72.02 N ATOM 1375 CA ASN A 96 -7.132 -8.703 15.728 1.00 51.32 C ATOM 1376 C ASN A 96 -8.196 -9.562 15.040 1.00 33.52 C ATOM 1377 O ASN A 96 -8.000 -10.767 14.870 1.00 73.34 O ATOM 1378 CB ASN A 96 -7.536 -8.369 17.179 1.00 25.10 C ATOM 1379 CG ASN A 96 -7.788 -9.615 18.019 1.00 55.03 C ATOM 1380 OD1 ASN A 96 -6.865 -10.181 18.610 1.00 13.11 O ATOM 1381 ND2 ASN A 96 -9.040 -10.042 18.098 1.00 41.41 N ATOM 0 H ASN A 96 -7.554 -7.429 14.128 1.00 72.02 H new ATOM 0 HA ASN A 96 -6.194 -9.255 15.797 1.00 51.32 H new ATOM 0 HB2 ASN A 96 -6.749 -7.775 17.644 1.00 25.10 H new ATOM 0 HB3 ASN A 96 -8.436 -7.754 17.169 1.00 25.10 H new ATOM 0 HD21 ASN A 96 -9.264 -10.863 18.661 1.00 41.41 H new ATOM 0 HD22 ASN A 96 -9.779 -9.550 17.596 1.00 41.41 H new ATOM 1388 N PRO A 97 -9.343 -8.958 14.622 1.00 42.22 N ATOM 1389 CA PRO A 97 -10.266 -9.613 13.690 1.00 50.54 C ATOM 1390 C PRO A 97 -9.573 -9.806 12.341 1.00 32.13 C ATOM 1391 O PRO A 97 -8.918 -8.879 11.855 1.00 40.13 O ATOM 1392 CB PRO A 97 -11.445 -8.625 13.565 1.00 43.35 C ATOM 1393 CG PRO A 97 -11.321 -7.724 14.747 1.00 3.51 C ATOM 1394 CD PRO A 97 -9.848 -7.628 15.031 1.00 23.02 C ATOM 0 HA PRO A 97 -10.593 -10.597 14.026 1.00 50.54 H new ATOM 0 HB2 PRO A 97 -11.391 -8.063 12.633 1.00 43.35 H new ATOM 0 HB3 PRO A 97 -12.401 -9.149 13.567 1.00 43.35 H new ATOM 0 HG2 PRO A 97 -11.744 -6.742 14.537 1.00 3.51 H new ATOM 0 HG3 PRO A 97 -11.860 -8.127 15.605 1.00 3.51 H new ATOM 0 HD2 PRO A 97 -9.379 -6.826 14.462 1.00 23.02 H new ATOM 0 HD3 PRO A 97 -9.652 -7.428 16.085 1.00 23.02 H new ATOM 1402 N PRO A 98 -9.683 -11.002 11.731 1.00 33.43 N ATOM 1403 CA PRO A 98 -8.945 -11.330 10.505 1.00 22.41 C ATOM 1404 C PRO A 98 -9.337 -10.451 9.311 1.00 12.40 C ATOM 1405 O PRO A 98 -8.734 -9.403 9.083 1.00 32.44 O ATOM 1406 CB PRO A 98 -9.284 -12.811 10.247 1.00 15.34 C ATOM 1407 CG PRO A 98 -9.853 -13.310 11.535 1.00 54.13 C ATOM 1408 CD PRO A 98 -10.520 -12.127 12.177 1.00 24.43 C ATOM 0 HA PRO A 98 -7.877 -11.150 10.626 1.00 22.41 H new ATOM 0 HB2 PRO A 98 -10.001 -12.915 9.433 1.00 15.34 H new ATOM 0 HB3 PRO A 98 -8.396 -13.375 9.964 1.00 15.34 H new ATOM 0 HG2 PRO A 98 -10.568 -14.114 11.361 1.00 54.13 H new ATOM 0 HG3 PRO A 98 -9.070 -13.713 12.178 1.00 54.13 H new ATOM 0 HD2 PRO A 98 -11.554 -12.018 11.849 1.00 24.43 H new ATOM 0 HD3 PRO A 98 -10.538 -12.213 13.263 1.00 24.43 H new ATOM 1416 N TRP A 99 -10.355 -10.865 8.559 1.00 13.32 N ATOM 1417 CA TRP A 99 -10.730 -10.171 7.328 1.00 72.00 C ATOM 1418 C TRP A 99 -12.252 -10.131 7.183 1.00 41.52 C ATOM 1419 O TRP A 99 -12.870 -11.113 6.764 1.00 33.01 O ATOM 1420 CB TRP A 99 -10.087 -10.869 6.115 1.00 73.25 C ATOM 1421 CG TRP A 99 -8.589 -10.979 6.220 1.00 50.52 C ATOM 1422 CD1 TRP A 99 -7.678 -9.987 5.995 1.00 23.02 C ATOM 1423 CD2 TRP A 99 -7.827 -12.138 6.586 1.00 24.05 C ATOM 1424 NE1 TRP A 99 -6.410 -10.451 6.208 1.00 71.05 N ATOM 1425 CE2 TRP A 99 -6.468 -11.767 6.566 1.00 13.44 C ATOM 1426 CE3 TRP A 99 -8.160 -13.450 6.928 1.00 10.53 C ATOM 1427 CZ2 TRP A 99 -5.446 -12.659 6.879 1.00 13.33 C ATOM 1428 CZ3 TRP A 99 -7.144 -14.337 7.237 1.00 64.14 C ATOM 1429 CH2 TRP A 99 -5.801 -13.937 7.211 1.00 43.04 C ATOM 0 H TRP A 99 -10.934 -11.675 8.779 1.00 13.32 H new ATOM 0 HA TRP A 99 -10.365 -9.145 7.374 1.00 72.00 H new ATOM 0 HB2 TRP A 99 -10.512 -11.867 6.011 1.00 73.25 H new ATOM 0 HB3 TRP A 99 -10.342 -10.318 5.210 1.00 73.25 H new ATOM 0 HD1 TRP A 99 -7.924 -8.980 5.692 1.00 23.02 H new ATOM 0 HE1 TRP A 99 -5.556 -9.901 6.114 1.00 71.05 H new ATOM 0 HE3 TRP A 99 -9.192 -13.767 6.951 1.00 10.53 H new ATOM 0 HZ2 TRP A 99 -4.411 -12.353 6.860 1.00 13.33 H new ATOM 0 HZ3 TRP A 99 -7.390 -15.355 7.503 1.00 64.14 H new ATOM 0 HH2 TRP A 99 -5.031 -14.653 7.458 1.00 43.04 H new ATOM 1440 N GLY A 100 -12.852 -8.991 7.518 1.00 62.25 N ATOM 1441 CA GLY A 100 -14.303 -8.882 7.562 1.00 3.10 C ATOM 1442 C GLY A 100 -14.817 -7.723 6.730 1.00 0.22 C ATOM 1443 O GLY A 100 -14.386 -7.550 5.589 1.00 14.13 O ATOM 0 H GLY A 100 -12.355 -8.134 7.762 1.00 62.25 H new ATOM 0 HA2 GLY A 100 -14.746 -9.810 7.201 1.00 3.10 H new ATOM 0 HA3 GLY A 100 -14.625 -8.756 8.596 1.00 3.10 H new ATOM 1447 N PRO A 101 -15.734 -6.898 7.274 1.00 2.23 N ATOM 1448 CA PRO A 101 -16.338 -5.778 6.532 1.00 75.22 C ATOM 1449 C PRO A 101 -15.297 -4.761 6.054 1.00 15.24 C ATOM 1450 O PRO A 101 -15.511 -4.056 5.064 1.00 44.14 O ATOM 1451 CB PRO A 101 -17.302 -5.139 7.549 1.00 22.41 C ATOM 1452 CG PRO A 101 -16.831 -5.614 8.884 1.00 23.40 C ATOM 1453 CD PRO A 101 -16.255 -6.984 8.653 1.00 31.12 C ATOM 0 HA PRO A 101 -16.833 -6.118 5.622 1.00 75.22 H new ATOM 0 HB2 PRO A 101 -17.277 -4.051 7.486 1.00 22.41 H new ATOM 0 HB3 PRO A 101 -18.331 -5.445 7.362 1.00 22.41 H new ATOM 0 HG2 PRO A 101 -16.081 -4.939 9.297 1.00 23.40 H new ATOM 0 HG3 PRO A 101 -17.654 -5.651 9.598 1.00 23.40 H new ATOM 0 HD2 PRO A 101 -15.466 -7.216 9.369 1.00 31.12 H new ATOM 0 HD3 PRO A 101 -17.012 -7.762 8.750 1.00 31.12 H new ATOM 1461 N ASP A 102 -14.153 -4.711 6.741 1.00 41.40 N ATOM 1462 CA ASP A 102 -13.097 -3.756 6.401 1.00 62.35 C ATOM 1463 C ASP A 102 -12.467 -4.091 5.050 1.00 24.25 C ATOM 1464 O ASP A 102 -11.633 -3.355 4.545 1.00 35.51 O ATOM 1465 CB ASP A 102 -12.016 -3.705 7.490 1.00 31.15 C ATOM 1466 CG ASP A 102 -11.088 -2.506 7.327 1.00 42.25 C ATOM 1467 OD1 ASP A 102 -11.557 -1.362 7.541 1.00 31.53 O ATOM 1468 OD2 ASP A 102 -9.898 -2.698 6.988 1.00 32.13 O ATOM 0 H ASP A 102 -13.935 -5.317 7.532 1.00 41.40 H new ATOM 0 HA ASP A 102 -13.561 -2.772 6.334 1.00 62.35 H new ATOM 0 HB2 ASP A 102 -12.492 -3.663 8.470 1.00 31.15 H new ATOM 0 HB3 ASP A 102 -11.429 -4.623 7.460 1.00 31.15 H new ATOM 1473 N LYS A 103 -12.884 -5.204 4.455 1.00 72.32 N ATOM 1474 CA LYS A 103 -12.421 -5.560 3.116 1.00 22.23 C ATOM 1475 C LYS A 103 -13.147 -4.716 2.064 1.00 34.21 C ATOM 1476 O LYS A 103 -12.860 -4.813 0.871 1.00 31.44 O ATOM 1477 CB LYS A 103 -12.641 -7.058 2.842 1.00 52.12 C ATOM 1478 CG LYS A 103 -11.787 -7.986 3.705 1.00 65.12 C ATOM 1479 CD LYS A 103 -11.807 -9.429 3.194 1.00 62.02 C ATOM 1480 CE LYS A 103 -13.225 -9.968 3.020 1.00 53.22 C ATOM 1481 NZ LYS A 103 -14.013 -9.905 4.280 1.00 0.04 N ATOM 0 H LYS A 103 -13.535 -5.869 4.872 1.00 72.32 H new ATOM 0 HA LYS A 103 -11.352 -5.355 3.057 1.00 22.23 H new ATOM 0 HB2 LYS A 103 -13.692 -7.295 3.005 1.00 52.12 H new ATOM 0 HB3 LYS A 103 -12.428 -7.259 1.792 1.00 52.12 H new ATOM 0 HG2 LYS A 103 -10.760 -7.622 3.721 1.00 65.12 H new ATOM 0 HG3 LYS A 103 -12.150 -7.961 4.732 1.00 65.12 H new ATOM 0 HD2 LYS A 103 -11.283 -9.480 2.240 1.00 62.02 H new ATOM 0 HD3 LYS A 103 -11.263 -10.066 3.892 1.00 62.02 H new ATOM 0 HE2 LYS A 103 -13.736 -9.396 2.246 1.00 53.22 H new ATOM 0 HE3 LYS A 103 -13.179 -11.001 2.675 1.00 53.22 H new ATOM 0 HZ1 LYS A 103 -14.968 -10.282 4.112 1.00 0.04 H new ATOM 0 HZ2 LYS A 103 -13.541 -10.472 5.013 1.00 0.04 H new ATOM 0 HZ3 LYS A 103 -14.082 -8.917 4.597 1.00 0.04 H new ATOM 1495 N ILE A 104 -14.086 -3.882 2.517 1.00 11.11 N ATOM 1496 CA ILE A 104 -14.824 -2.984 1.631 1.00 71.31 C ATOM 1497 C ILE A 104 -14.586 -1.522 2.027 1.00 14.30 C ATOM 1498 O ILE A 104 -14.843 -1.130 3.167 1.00 24.25 O ATOM 1499 CB ILE A 104 -16.345 -3.283 1.670 1.00 34.31 C ATOM 1500 CG1 ILE A 104 -16.615 -4.753 1.298 1.00 33.03 C ATOM 1501 CG2 ILE A 104 -17.106 -2.342 0.734 1.00 21.52 C ATOM 1502 CD1 ILE A 104 -18.080 -5.143 1.359 1.00 40.32 C ATOM 0 H ILE A 104 -14.353 -3.811 3.499 1.00 11.11 H new ATOM 0 HA ILE A 104 -14.459 -3.151 0.618 1.00 71.31 H new ATOM 0 HB ILE A 104 -16.701 -3.114 2.686 1.00 34.31 H new ATOM 0 HG12 ILE A 104 -16.242 -4.937 0.291 1.00 33.03 H new ATOM 0 HG13 ILE A 104 -16.049 -5.398 1.970 1.00 33.03 H new ATOM 0 HG21 ILE A 104 -18.171 -2.569 0.777 1.00 21.52 H new ATOM 0 HG22 ILE A 104 -16.942 -1.310 1.044 1.00 21.52 H new ATOM 0 HG23 ILE A 104 -16.747 -2.476 -0.287 1.00 21.52 H new ATOM 0 HD11 ILE A 104 -18.189 -6.192 1.084 1.00 40.32 H new ATOM 0 HD12 ILE A 104 -18.455 -4.993 2.371 1.00 40.32 H new ATOM 0 HD13 ILE A 104 -18.650 -4.525 0.665 1.00 40.32 H new ATOM 1514 N THR A 105 -14.069 -0.727 1.090 1.00 42.32 N ATOM 1515 CA THR A 105 -13.888 0.709 1.292 1.00 53.31 C ATOM 1516 C THR A 105 -15.232 1.409 1.532 1.00 23.05 C ATOM 1517 O THR A 105 -16.292 0.851 1.227 1.00 61.30 O ATOM 1518 CB THR A 105 -13.183 1.335 0.068 1.00 72.43 C ATOM 1519 OG1 THR A 105 -13.643 0.688 -1.127 1.00 53.20 O ATOM 1520 CG2 THR A 105 -11.663 1.212 0.172 1.00 23.32 C ATOM 0 H THR A 105 -13.766 -1.059 0.174 1.00 42.32 H new ATOM 0 HA THR A 105 -13.267 0.848 2.177 1.00 53.31 H new ATOM 0 HB THR A 105 -13.429 2.396 0.037 1.00 72.43 H new ATOM 0 HG1 THR A 105 -13.975 1.362 -1.757 1.00 53.20 H new ATOM 0 HG21 THR A 105 -11.201 1.663 -0.706 1.00 23.32 H new ATOM 0 HG22 THR A 105 -11.317 1.726 1.069 1.00 23.32 H new ATOM 0 HG23 THR A 105 -11.386 0.159 0.228 1.00 23.32 H new ATOM 1528 N GLU A 106 -15.190 2.635 2.065 1.00 31.23 N ATOM 1529 CA GLU A 106 -16.416 3.371 2.371 1.00 12.33 C ATOM 1530 C GLU A 106 -17.198 3.605 1.085 1.00 4.31 C ATOM 1531 O GLU A 106 -18.404 3.391 1.033 1.00 24.44 O ATOM 1532 CB GLU A 106 -16.109 4.698 3.105 1.00 42.42 C ATOM 1533 CG GLU A 106 -15.464 5.805 2.253 1.00 53.52 C ATOM 1534 CD GLU A 106 -16.453 6.880 1.807 1.00 70.11 C ATOM 1535 OE1 GLU A 106 -16.806 6.936 0.609 1.00 62.12 O ATOM 1536 OE2 GLU A 106 -16.875 7.691 2.661 1.00 75.31 O ATOM 0 H GLU A 106 -14.328 3.132 2.291 1.00 31.23 H new ATOM 0 HA GLU A 106 -17.029 2.776 3.049 1.00 12.33 H new ATOM 0 HB2 GLU A 106 -17.039 5.083 3.522 1.00 42.42 H new ATOM 0 HB3 GLU A 106 -15.449 4.482 3.945 1.00 42.42 H new ATOM 0 HG2 GLU A 106 -14.663 6.273 2.825 1.00 53.52 H new ATOM 0 HG3 GLU A 106 -15.006 5.355 1.372 1.00 53.52 H new ATOM 1543 N ASP A 107 -16.480 3.985 0.038 1.00 63.15 N ATOM 1544 CA ASP A 107 -17.065 4.196 -1.283 1.00 10.32 C ATOM 1545 C ASP A 107 -17.726 2.916 -1.792 1.00 4.12 C ATOM 1546 O ASP A 107 -18.780 2.964 -2.432 1.00 22.12 O ATOM 1547 CB ASP A 107 -15.978 4.668 -2.259 1.00 44.12 C ATOM 1548 CG ASP A 107 -14.697 3.862 -2.124 1.00 21.50 C ATOM 1549 OD1 ASP A 107 -13.840 4.246 -1.291 1.00 13.53 O ATOM 1550 OD2 ASP A 107 -14.556 2.832 -2.813 1.00 21.31 O ATOM 0 H ASP A 107 -15.475 4.156 0.078 1.00 63.15 H new ATOM 0 HA ASP A 107 -17.835 4.964 -1.210 1.00 10.32 H new ATOM 0 HB2 ASP A 107 -16.350 4.588 -3.281 1.00 44.12 H new ATOM 0 HB3 ASP A 107 -15.763 5.721 -2.079 1.00 44.12 H new ATOM 1555 N GLY A 108 -17.108 1.780 -1.481 1.00 42.43 N ATOM 1556 CA GLY A 108 -17.645 0.493 -1.881 1.00 52.40 C ATOM 1557 C GLY A 108 -18.978 0.182 -1.224 1.00 14.22 C ATOM 1558 O GLY A 108 -19.854 -0.414 -1.843 1.00 61.41 O ATOM 0 H GLY A 108 -16.236 1.730 -0.954 1.00 42.43 H new ATOM 0 HA2 GLY A 108 -17.766 0.476 -2.964 1.00 52.40 H new ATOM 0 HA3 GLY A 108 -16.929 -0.289 -1.628 1.00 52.40 H new ATOM 1562 N ARG A 109 -19.119 0.556 0.046 1.00 54.11 N ATOM 1563 CA ARG A 109 -20.377 0.365 0.773 1.00 74.30 C ATOM 1564 C ARG A 109 -21.420 1.384 0.306 1.00 62.14 C ATOM 1565 O ARG A 109 -22.545 1.025 -0.060 1.00 53.23 O ATOM 1566 CB ARG A 109 -20.120 0.491 2.291 1.00 51.35 C ATOM 1567 CG ARG A 109 -21.289 0.083 3.205 1.00 43.24 C ATOM 1568 CD ARG A 109 -22.308 1.209 3.437 1.00 34.11 C ATOM 1569 NE ARG A 109 -23.426 1.181 2.484 1.00 10.52 N ATOM 1570 CZ ARG A 109 -24.210 2.233 2.208 1.00 60.51 C ATOM 1571 NH1 ARG A 109 -23.980 3.411 2.765 1.00 0.42 N ATOM 1572 NH2 ARG A 109 -25.215 2.107 1.357 1.00 44.50 N ATOM 0 H ARG A 109 -18.379 0.993 0.595 1.00 54.11 H new ATOM 0 HA ARG A 109 -20.767 -0.632 0.567 1.00 74.30 H new ATOM 0 HB2 ARG A 109 -19.254 -0.120 2.546 1.00 51.35 H new ATOM 0 HB3 ARG A 109 -19.856 1.525 2.511 1.00 51.35 H new ATOM 0 HG2 ARG A 109 -21.800 -0.774 2.767 1.00 43.24 H new ATOM 0 HG3 ARG A 109 -20.892 -0.240 4.167 1.00 43.24 H new ATOM 0 HD2 ARG A 109 -22.701 1.132 4.451 1.00 34.11 H new ATOM 0 HD3 ARG A 109 -21.800 2.171 3.364 1.00 34.11 H new ATOM 0 HE ARG A 109 -23.618 0.304 2.001 1.00 10.52 H new ATOM 0 HH11 ARG A 109 -23.200 3.526 3.412 1.00 0.42 H new ATOM 0 HH12 ARG A 109 -24.583 4.204 2.548 1.00 0.42 H new ATOM 0 HH21 ARG A 109 -25.395 1.208 0.909 1.00 44.50 H new ATOM 0 HH22 ARG A 109 -25.810 2.909 1.148 1.00 44.50 H new ATOM 1586 N GLU A 110 -21.016 2.646 0.302 1.00 0.34 N ATOM 1587 CA GLU A 110 -21.911 3.775 0.051 1.00 64.41 C ATOM 1588 C GLU A 110 -22.432 3.792 -1.374 1.00 35.14 C ATOM 1589 O GLU A 110 -23.642 3.771 -1.615 1.00 34.53 O ATOM 1590 CB GLU A 110 -21.143 5.055 0.257 1.00 35.24 C ATOM 1591 CG GLU A 110 -20.572 5.255 1.663 1.00 2.14 C ATOM 1592 CD GLU A 110 -21.636 5.314 2.747 1.00 61.13 C ATOM 1593 OE1 GLU A 110 -22.468 6.243 2.717 1.00 24.23 O ATOM 1594 OE2 GLU A 110 -21.643 4.441 3.641 1.00 54.54 O ATOM 0 H GLU A 110 -20.049 2.922 0.474 1.00 0.34 H new ATOM 0 HA GLU A 110 -22.755 3.679 0.735 1.00 64.41 H new ATOM 0 HB2 GLU A 110 -20.322 5.086 -0.459 1.00 35.24 H new ATOM 0 HB3 GLU A 110 -21.799 5.894 0.026 1.00 35.24 H new ATOM 0 HG2 GLU A 110 -19.883 4.441 1.886 1.00 2.14 H new ATOM 0 HG3 GLU A 110 -19.992 6.178 1.683 1.00 2.14 H new ATOM 1601 N GLN A 111 -21.487 3.842 -2.317 1.00 51.12 N ATOM 1602 CA GLN A 111 -21.795 3.819 -3.743 1.00 14.43 C ATOM 1603 C GLN A 111 -22.666 5.013 -4.129 1.00 63.44 C ATOM 1604 O GLN A 111 -23.502 4.926 -5.028 1.00 61.21 O ATOM 1605 CB GLN A 111 -22.481 2.495 -4.072 1.00 22.34 C ATOM 1606 CG GLN A 111 -21.965 1.363 -3.200 1.00 1.41 C ATOM 1607 CD GLN A 111 -22.740 0.068 -3.394 1.00 4.31 C ATOM 1608 OE1 GLN A 111 -23.932 0.083 -3.704 1.00 15.44 O ATOM 1609 NE2 GLN A 111 -22.076 -1.061 -3.219 1.00 1.42 N ATOM 0 H GLN A 111 -20.490 3.899 -2.110 1.00 51.12 H new ATOM 0 HA GLN A 111 -20.875 3.898 -4.322 1.00 14.43 H new ATOM 0 HB2 GLN A 111 -23.557 2.599 -3.934 1.00 22.34 H new ATOM 0 HB3 GLN A 111 -22.316 2.250 -5.121 1.00 22.34 H new ATOM 0 HG2 GLN A 111 -20.913 1.188 -3.425 1.00 1.41 H new ATOM 0 HG3 GLN A 111 -22.022 1.662 -2.153 1.00 1.41 H new ATOM 0 HE21 GLN A 111 -21.089 -1.038 -2.962 1.00 1.42 H new ATOM 0 HE22 GLN A 111 -22.550 -1.956 -3.341 1.00 1.42 H new ATOM 1618 N LEU A 112 -22.455 6.134 -3.443 1.00 73.13 N ATOM 1619 CA LEU A 112 -23.188 7.364 -3.721 1.00 24.10 C ATOM 1620 C LEU A 112 -22.316 8.299 -4.557 1.00 44.45 C ATOM 1621 O LEU A 112 -22.502 8.426 -5.769 1.00 71.13 O ATOM 1622 CB LEU A 112 -23.601 8.043 -2.406 1.00 51.22 C ATOM 1623 CG LEU A 112 -24.466 9.309 -2.556 1.00 15.22 C ATOM 1624 CD1 LEU A 112 -25.793 8.985 -3.242 1.00 34.54 C ATOM 1625 CD2 LEU A 112 -24.707 9.964 -1.195 1.00 61.52 C ATOM 0 H LEU A 112 -21.777 6.214 -2.685 1.00 73.13 H new ATOM 0 HA LEU A 112 -24.092 7.127 -4.282 1.00 24.10 H new ATOM 0 HB2 LEU A 112 -24.148 7.320 -1.800 1.00 51.22 H new ATOM 0 HB3 LEU A 112 -22.699 8.304 -1.853 1.00 51.22 H new ATOM 0 HG LEU A 112 -23.924 10.016 -3.184 1.00 15.22 H new ATOM 0 HD11 LEU A 112 -26.386 9.895 -3.336 1.00 34.54 H new ATOM 0 HD12 LEU A 112 -25.600 8.574 -4.233 1.00 34.54 H new ATOM 0 HD13 LEU A 112 -26.341 8.255 -2.647 1.00 34.54 H new ATOM 0 HD21 LEU A 112 -25.320 10.856 -1.324 1.00 61.52 H new ATOM 0 HD22 LEU A 112 -25.222 9.262 -0.539 1.00 61.52 H new ATOM 0 HD23 LEU A 112 -23.751 10.242 -0.750 1.00 61.52 H new ATOM 1637 N ARG A 113 -21.332 8.916 -3.908 1.00 42.33 N ATOM 1638 CA ARG A 113 -20.377 9.785 -4.589 1.00 52.23 C ATOM 1639 C ARG A 113 -19.509 8.951 -5.525 1.00 30.11 C ATOM 1640 O ARG A 113 -19.101 9.408 -6.595 1.00 1.13 O ATOM 1641 CB ARG A 113 -19.498 10.515 -3.560 1.00 52.45 C ATOM 1642 CG ARG A 113 -18.459 11.457 -4.171 1.00 71.45 C ATOM 1643 CD ARG A 113 -19.100 12.632 -4.906 1.00 22.42 C ATOM 1644 NE ARG A 113 -19.917 13.461 -4.014 1.00 60.44 N ATOM 1645 CZ ARG A 113 -19.475 14.547 -3.369 1.00 50.34 C ATOM 1646 NH1 ARG A 113 -18.204 14.929 -3.471 1.00 51.31 N ATOM 1647 NH2 ARG A 113 -20.313 15.247 -2.617 1.00 42.24 N ATOM 0 H ARG A 113 -21.175 8.829 -2.904 1.00 42.33 H new ATOM 0 HA ARG A 113 -20.920 10.530 -5.171 1.00 52.23 H new ATOM 0 HB2 ARG A 113 -20.141 11.088 -2.892 1.00 52.45 H new ATOM 0 HB3 ARG A 113 -18.983 9.774 -2.949 1.00 52.45 H new ATOM 0 HG2 ARG A 113 -17.808 11.836 -3.383 1.00 71.45 H new ATOM 0 HG3 ARG A 113 -17.829 10.899 -4.864 1.00 71.45 H new ATOM 0 HD2 ARG A 113 -18.320 13.246 -5.357 1.00 22.42 H new ATOM 0 HD3 ARG A 113 -19.720 12.255 -5.719 1.00 22.42 H new ATOM 0 HE ARG A 113 -20.891 13.191 -3.875 1.00 60.44 H new ATOM 0 HH11 ARG A 113 -17.555 14.392 -4.046 1.00 51.31 H new ATOM 0 HH12 ARG A 113 -17.879 15.759 -2.974 1.00 51.31 H new ATOM 0 HH21 ARG A 113 -21.287 14.957 -2.533 1.00 42.24 H new ATOM 0 HH22 ARG A 113 -19.984 16.076 -2.122 1.00 42.24 H new ATOM 1661 N ALA A 114 -19.255 7.713 -5.111 1.00 31.44 N ATOM 1662 CA ALA A 114 -18.426 6.787 -5.877 1.00 62.13 C ATOM 1663 C ALA A 114 -19.131 6.350 -7.158 1.00 42.22 C ATOM 1664 O ALA A 114 -18.485 5.948 -8.125 1.00 72.20 O ATOM 1665 CB ALA A 114 -18.071 5.572 -5.028 1.00 31.54 C ATOM 0 H ALA A 114 -19.616 7.325 -4.240 1.00 31.44 H new ATOM 0 HA ALA A 114 -17.508 7.304 -6.156 1.00 62.13 H new ATOM 0 HB1 ALA A 114 -17.453 4.889 -5.611 1.00 31.54 H new ATOM 0 HB2 ALA A 114 -17.521 5.894 -4.144 1.00 31.54 H new ATOM 0 HB3 ALA A 114 -18.985 5.063 -4.722 1.00 31.54 H new ATOM 1671 N LEU A 115 -20.461 6.428 -7.156 1.00 3.11 N ATOM 1672 CA LEU A 115 -21.257 6.045 -8.321 1.00 42.11 C ATOM 1673 C LEU A 115 -21.139 7.123 -9.395 1.00 53.22 C ATOM 1674 O LEU A 115 -21.131 6.828 -10.592 1.00 30.02 O ATOM 1675 CB LEU A 115 -22.728 5.825 -7.904 1.00 1.34 C ATOM 1676 CG LEU A 115 -23.646 5.113 -8.928 1.00 70.12 C ATOM 1677 CD1 LEU A 115 -24.867 4.527 -8.222 1.00 22.32 C ATOM 1678 CD2 LEU A 115 -24.091 6.066 -10.042 1.00 21.45 C ATOM 0 H LEU A 115 -21.010 6.753 -6.360 1.00 3.11 H new ATOM 0 HA LEU A 115 -20.882 5.108 -8.733 1.00 42.11 H new ATOM 0 HB2 LEU A 115 -22.736 5.246 -6.981 1.00 1.34 H new ATOM 0 HB3 LEU A 115 -23.165 6.797 -7.675 1.00 1.34 H new ATOM 0 HG LEU A 115 -23.072 4.307 -9.386 1.00 70.12 H new ATOM 0 HD11 LEU A 115 -25.505 4.029 -8.952 1.00 22.32 H new ATOM 0 HD12 LEU A 115 -24.542 3.806 -7.472 1.00 22.32 H new ATOM 0 HD13 LEU A 115 -25.426 5.327 -7.738 1.00 22.32 H new ATOM 0 HD21 LEU A 115 -24.734 5.532 -10.742 1.00 21.45 H new ATOM 0 HD22 LEU A 115 -24.641 6.901 -9.608 1.00 21.45 H new ATOM 0 HD23 LEU A 115 -23.215 6.444 -10.569 1.00 21.45 H new ATOM 1690 N GLY A 116 -21.038 8.374 -8.952 1.00 3.04 N ATOM 1691 CA GLY A 116 -20.885 9.487 -9.868 1.00 55.42 C ATOM 1692 C GLY A 116 -19.461 9.596 -10.381 1.00 32.14 C ATOM 1693 O GLY A 116 -19.123 9.013 -11.416 1.00 44.32 O ATOM 0 H GLY A 116 -21.060 8.636 -7.966 1.00 3.04 H new ATOM 0 HA2 GLY A 116 -21.567 9.363 -10.709 1.00 55.42 H new ATOM 0 HA3 GLY A 116 -21.163 10.413 -9.366 1.00 55.42 H new ATOM 1697 N PHE A 117 -18.624 10.333 -9.651 1.00 0.22 N ATOM 1698 CA PHE A 117 -17.214 10.501 -10.001 1.00 22.41 C ATOM 1699 C PHE A 117 -16.511 11.356 -8.948 1.00 23.21 C ATOM 1700 O PHE A 117 -17.164 12.056 -8.172 1.00 44.22 O ATOM 1701 CB PHE A 117 -17.054 11.152 -11.391 1.00 74.54 C ATOM 1702 CG PHE A 117 -17.575 12.570 -11.479 1.00 10.13 C ATOM 1703 CD1 PHE A 117 -16.709 13.653 -11.373 1.00 1.12 C ATOM 1704 CD2 PHE A 117 -18.929 12.820 -11.667 1.00 23.12 C ATOM 1705 CE1 PHE A 117 -17.183 14.948 -11.453 1.00 40.50 C ATOM 1706 CE2 PHE A 117 -19.406 14.115 -11.747 1.00 74.43 C ATOM 1707 CZ PHE A 117 -18.531 15.179 -11.640 1.00 41.22 C ATOM 0 H PHE A 117 -18.903 10.828 -8.804 1.00 0.22 H new ATOM 0 HA PHE A 117 -16.757 9.512 -10.033 1.00 22.41 H new ATOM 0 HB2 PHE A 117 -15.998 11.148 -11.662 1.00 74.54 H new ATOM 0 HB3 PHE A 117 -17.574 10.540 -12.128 1.00 74.54 H new ATOM 0 HD1 PHE A 117 -15.653 13.479 -11.226 1.00 1.12 H new ATOM 0 HD2 PHE A 117 -19.617 11.992 -11.752 1.00 23.12 H new ATOM 0 HE1 PHE A 117 -16.499 15.780 -11.369 1.00 40.50 H new ATOM 0 HE2 PHE A 117 -20.461 14.295 -11.893 1.00 74.43 H new ATOM 0 HZ PHE A 117 -18.902 16.191 -11.703 1.00 41.22 H new ATOM 1717 N THR A 118 -15.185 11.282 -8.920 1.00 52.33 N ATOM 1718 CA THR A 118 -14.369 12.113 -8.040 1.00 74.43 C ATOM 1719 C THR A 118 -12.987 12.325 -8.659 1.00 73.23 C ATOM 1720 O THR A 118 -12.156 11.417 -8.673 1.00 1.43 O ATOM 1721 CB THR A 118 -14.224 11.492 -6.625 1.00 63.04 C ATOM 1722 OG1 THR A 118 -15.501 11.475 -5.962 1.00 62.22 O ATOM 1723 CG2 THR A 118 -13.219 12.264 -5.770 1.00 31.14 C ATOM 0 H THR A 118 -14.645 10.645 -9.506 1.00 52.33 H new ATOM 0 HA THR A 118 -14.875 13.072 -7.929 1.00 74.43 H new ATOM 0 HB THR A 118 -13.855 10.474 -6.749 1.00 63.04 H new ATOM 0 HG1 THR A 118 -16.192 11.806 -6.574 1.00 62.22 H new ATOM 0 HG21 THR A 118 -13.145 11.799 -4.787 1.00 31.14 H new ATOM 0 HG22 THR A 118 -12.242 12.248 -6.253 1.00 31.14 H new ATOM 0 HG23 THR A 118 -13.552 13.296 -5.659 1.00 31.14 H new ATOM 1731 N VAL A 119 -12.769 13.521 -9.196 1.00 32.24 N ATOM 1732 CA VAL A 119 -11.502 13.884 -9.827 1.00 42.51 C ATOM 1733 C VAL A 119 -10.972 15.195 -9.238 1.00 34.23 C ATOM 1734 O VAL A 119 -9.785 15.244 -8.854 1.00 62.20 O ATOM 1735 CB VAL A 119 -11.641 14.008 -11.373 1.00 41.33 C ATOM 1736 CG1 VAL A 119 -11.886 12.637 -12.000 1.00 52.12 C ATOM 1737 CG2 VAL A 119 -12.762 14.978 -11.752 1.00 62.35 C ATOM 1738 OXT VAL A 119 -11.760 16.160 -9.120 1.00 0.00 O ATOM 0 H VAL A 119 -13.465 14.267 -9.207 1.00 32.24 H new ATOM 0 HA VAL A 119 -10.791 13.084 -9.621 1.00 42.51 H new ATOM 0 HB VAL A 119 -10.705 14.408 -11.763 1.00 41.33 H new ATOM 0 HG11 VAL A 119 -11.981 12.743 -13.081 1.00 52.12 H new ATOM 0 HG12 VAL A 119 -11.049 11.978 -11.772 1.00 52.12 H new ATOM 0 HG13 VAL A 119 -12.804 12.211 -11.595 1.00 52.12 H new ATOM 0 HG21 VAL A 119 -12.835 15.044 -12.838 1.00 62.35 H new ATOM 0 HG22 VAL A 119 -13.707 14.618 -11.346 1.00 62.35 H new ATOM 0 HG23 VAL A 119 -12.544 15.964 -11.343 1.00 62.35 H new TER 1748 VAL A 119