USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 779 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 5 SER OG : rot -150:sc= 0 USER MOD Set 1.2: A 63 TYR OH : rot 0:sc= -1.34! USER MOD Set 1.3: A 88 SER OG : rot -145:sc= 0.0633 USER MOD Set 2.1: A 41 MET CE :methyl -155:sc= -0.299 (180deg=-1.13) USER MOD Set 2.2: A 43 MET CE :methyl -122:sc= 0 (180deg=-0.0467) USER MOD Single : A 4 GLN : amide:sc= -2.03! C(o=-2!,f=-4!) USER MOD Single : A 8 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.26) USER MOD Single : A 11 LYS NZ :NH3+ -132:sc= 1.71 (180deg=-0.386) USER MOD Single : A 12 SER OG : rot 72:sc= 0.742 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 20:sc= 1.25 USER MOD Single : A 33 ASN : amide:sc= 0.767 K(o=0.77,f=-0.067) USER MOD Single : A 36 HIS : no HE2:sc= 0.324 K(o=0.32,f=-5.5!) USER MOD Single : A 38 MET CE :methyl 159:sc= -0.382 (180deg=-1.03) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.1) USER MOD Single : A 59 SER OG : rot -64:sc= 0.819 USER MOD Single : A 65 TYR OH : rot 11:sc= 0.204 USER MOD Single : A 71 GLN : amide:sc= -2.28! C(o=-2.3!,f=-6.5!) USER MOD Single : A 72 THR OG1 : rot 73:sc= 2.01 USER MOD Single : A 73 SER OG : rot 74:sc= 0.456 USER MOD Single : A 74 GLN : amide:sc= -0.924 K(o=-0.92,f=-0.0097) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= 0.272 K(o=0.27,f=-2.5!) USER MOD Single : A 91 LYS NZ :NH3+ -136:sc= 0.499 (180deg=-0.921!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 4 3.515 0.076 11.456 1.00 51.11 N ATOM 50 CA GLN A 4 4.394 -0.713 10.597 1.00 64.10 C ATOM 51 C GLN A 4 4.039 -2.203 10.689 1.00 44.35 C ATOM 52 O GLN A 4 4.096 -2.797 11.773 1.00 14.12 O ATOM 53 CB GLN A 4 5.844 -0.485 11.036 1.00 61.11 C ATOM 54 CG GLN A 4 6.871 -1.343 10.326 1.00 51.21 C ATOM 55 CD GLN A 4 8.227 -1.308 11.008 1.00 62.12 C ATOM 56 OE1 GLN A 4 9.270 -1.368 10.370 1.00 45.21 O ATOM 57 NE2 GLN A 4 8.215 -1.268 12.319 1.00 61.14 N ATOM 0 HA GLN A 4 4.268 -0.400 9.560 1.00 64.10 H new ATOM 0 HB2 GLN A 4 6.096 0.563 10.876 1.00 61.11 H new ATOM 0 HB3 GLN A 4 5.917 -0.670 12.108 1.00 61.11 H new ATOM 0 HG2 GLN A 4 6.515 -2.372 10.285 1.00 51.21 H new ATOM 0 HG3 GLN A 4 6.976 -1.001 9.296 1.00 51.21 H new ATOM 0 HE21 GLN A 4 7.328 -1.218 12.820 1.00 61.14 H new ATOM 0 HE22 GLN A 4 9.093 -1.287 12.838 1.00 61.14 H new ATOM 66 N SER A 5 3.674 -2.803 9.560 1.00 20.03 N ATOM 67 CA SER A 5 3.286 -4.220 9.529 1.00 45.23 C ATOM 68 C SER A 5 3.941 -4.943 8.346 1.00 4.03 C ATOM 69 O SER A 5 4.000 -4.410 7.238 1.00 13.54 O ATOM 70 CB SER A 5 1.757 -4.361 9.430 1.00 35.24 C ATOM 71 OG SER A 5 1.097 -3.673 10.487 1.00 0.22 O ATOM 0 H SER A 5 3.637 -2.336 8.654 1.00 20.03 H new ATOM 0 HA SER A 5 3.630 -4.677 10.457 1.00 45.23 H new ATOM 0 HB2 SER A 5 1.416 -3.969 8.472 1.00 35.24 H new ATOM 0 HB3 SER A 5 1.486 -5.416 9.457 1.00 35.24 H new ATOM 0 HG SER A 5 0.255 -4.128 10.698 1.00 0.22 H new ATOM 77 N ASP A 6 4.438 -6.155 8.588 1.00 51.20 N ATOM 78 CA ASP A 6 5.052 -6.965 7.532 1.00 42.54 C ATOM 79 C ASP A 6 4.017 -7.388 6.472 1.00 71.44 C ATOM 80 O ASP A 6 2.810 -7.416 6.736 1.00 72.22 O ATOM 81 CB ASP A 6 5.692 -8.220 8.134 1.00 1.03 C ATOM 82 CG ASP A 6 6.673 -7.902 9.244 1.00 50.21 C ATOM 83 OD1 ASP A 6 6.231 -7.710 10.394 1.00 52.22 O ATOM 84 OD2 ASP A 6 7.893 -7.856 8.976 1.00 53.35 O ATOM 0 H ASP A 6 4.428 -6.600 9.506 1.00 51.20 H new ATOM 0 HA ASP A 6 5.814 -6.352 7.050 1.00 42.54 H new ATOM 0 HB2 ASP A 6 4.909 -8.871 8.522 1.00 1.03 H new ATOM 0 HB3 ASP A 6 6.206 -8.773 7.348 1.00 1.03 H new ATOM 89 N ALA A 7 4.502 -7.753 5.286 1.00 13.35 N ATOM 90 CA ALA A 7 3.633 -8.190 4.189 1.00 44.24 C ATOM 91 C ALA A 7 2.702 -9.342 4.610 1.00 40.12 C ATOM 92 O ALA A 7 1.490 -9.278 4.406 1.00 13.43 O ATOM 93 CB ALA A 7 4.474 -8.594 2.982 1.00 52.31 C ATOM 0 H ALA A 7 5.496 -7.755 5.058 1.00 13.35 H new ATOM 0 HA ALA A 7 2.997 -7.347 3.917 1.00 44.24 H new ATOM 0 HB1 ALA A 7 3.818 -8.917 2.173 1.00 52.31 H new ATOM 0 HB2 ALA A 7 5.067 -7.742 2.650 1.00 52.31 H new ATOM 0 HB3 ALA A 7 5.138 -9.412 3.259 1.00 52.31 H new ATOM 99 N HIS A 8 3.268 -10.392 5.212 1.00 0.10 N ATOM 100 CA HIS A 8 2.467 -11.557 5.626 1.00 13.45 C ATOM 101 C HIS A 8 1.476 -11.235 6.757 1.00 34.13 C ATOM 102 O HIS A 8 0.451 -11.904 6.888 1.00 13.22 O ATOM 103 CB HIS A 8 3.350 -12.772 5.970 1.00 50.51 C ATOM 104 CG HIS A 8 4.568 -12.469 6.785 1.00 30.32 C ATOM 105 ND1 HIS A 8 5.821 -12.904 6.425 1.00 4.11 N ATOM 106 CD2 HIS A 8 4.727 -11.798 7.952 1.00 52.35 C ATOM 107 CE1 HIS A 8 6.695 -12.519 7.322 1.00 12.25 C ATOM 108 NE2 HIS A 8 6.063 -11.843 8.262 1.00 50.23 N ATOM 0 H HIS A 8 4.263 -10.464 5.423 1.00 0.10 H new ATOM 0 HA HIS A 8 1.863 -11.828 4.760 1.00 13.45 H new ATOM 0 HB2 HIS A 8 2.744 -13.499 6.510 1.00 50.51 H new ATOM 0 HB3 HIS A 8 3.664 -13.246 5.040 1.00 50.51 H new ATOM 0 HD2 HIS A 8 3.950 -11.319 8.529 1.00 52.35 H new ATOM 0 HE1 HIS A 8 7.756 -12.721 7.296 1.00 12.25 H new ATOM 0 HE2 HIS A 8 6.496 -11.423 9.084 1.00 50.23 H new ATOM 117 N VAL A 9 1.771 -10.222 7.569 1.00 53.41 N ATOM 118 CA VAL A 9 0.803 -9.749 8.567 1.00 41.24 C ATOM 119 C VAL A 9 -0.483 -9.275 7.870 1.00 34.02 C ATOM 120 O VAL A 9 -1.588 -9.734 8.181 1.00 5.13 O ATOM 121 CB VAL A 9 1.379 -8.588 9.421 1.00 51.35 C ATOM 122 CG1 VAL A 9 0.343 -8.069 10.421 1.00 44.12 C ATOM 123 CG2 VAL A 9 2.652 -9.025 10.141 1.00 31.42 C ATOM 0 H VAL A 9 2.657 -9.717 7.560 1.00 53.41 H new ATOM 0 HA VAL A 9 0.582 -10.585 9.231 1.00 41.24 H new ATOM 0 HB VAL A 9 1.631 -7.771 8.745 1.00 51.35 H new ATOM 0 HG11 VAL A 9 0.776 -7.256 11.005 1.00 44.12 H new ATOM 0 HG12 VAL A 9 -0.531 -7.703 9.882 1.00 44.12 H new ATOM 0 HG13 VAL A 9 0.046 -8.877 11.089 1.00 44.12 H new ATOM 0 HG21 VAL A 9 3.038 -8.195 10.733 1.00 31.42 H new ATOM 0 HG22 VAL A 9 2.428 -9.866 10.797 1.00 31.42 H new ATOM 0 HG23 VAL A 9 3.400 -9.326 9.407 1.00 31.42 H new ATOM 133 N LEU A 10 -0.324 -8.373 6.901 1.00 41.34 N ATOM 134 CA LEU A 10 -1.454 -7.883 6.106 1.00 72.11 C ATOM 135 C LEU A 10 -2.108 -9.031 5.311 1.00 11.33 C ATOM 136 O LEU A 10 -3.336 -9.122 5.224 1.00 21.52 O ATOM 137 CB LEU A 10 -0.985 -6.774 5.153 1.00 63.31 C ATOM 138 CG LEU A 10 -2.093 -6.096 4.330 1.00 3.13 C ATOM 139 CD1 LEU A 10 -3.111 -5.423 5.249 1.00 63.00 C ATOM 140 CD2 LEU A 10 -1.497 -5.087 3.348 1.00 32.01 C ATOM 0 H LEU A 10 0.576 -7.966 6.646 1.00 41.34 H new ATOM 0 HA LEU A 10 -2.201 -7.474 6.786 1.00 72.11 H new ATOM 0 HB2 LEU A 10 -0.471 -6.010 5.737 1.00 63.31 H new ATOM 0 HB3 LEU A 10 -0.252 -7.196 4.465 1.00 63.31 H new ATOM 0 HG LEU A 10 -2.610 -6.864 3.754 1.00 3.13 H new ATOM 0 HD11 LEU A 10 -3.887 -4.949 4.648 1.00 63.00 H new ATOM 0 HD12 LEU A 10 -3.563 -6.171 5.901 1.00 63.00 H new ATOM 0 HD13 LEU A 10 -2.610 -4.668 5.856 1.00 63.00 H new ATOM 0 HD21 LEU A 10 -2.298 -4.619 2.776 1.00 32.01 H new ATOM 0 HD22 LEU A 10 -0.950 -4.322 3.899 1.00 32.01 H new ATOM 0 HD23 LEU A 10 -0.817 -5.600 2.668 1.00 32.01 H new ATOM 152 N LYS A 11 -1.277 -9.912 4.746 1.00 52.04 N ATOM 153 CA LYS A 11 -1.768 -11.090 4.014 1.00 43.24 C ATOM 154 C LYS A 11 -2.663 -11.963 4.903 1.00 32.42 C ATOM 155 O LYS A 11 -3.732 -12.411 4.480 1.00 70.04 O ATOM 156 CB LYS A 11 -0.595 -11.929 3.486 1.00 11.12 C ATOM 157 CG LYS A 11 -1.042 -13.135 2.662 1.00 64.05 C ATOM 158 CD LYS A 11 0.098 -14.117 2.402 1.00 44.02 C ATOM 159 CE LYS A 11 -0.430 -15.444 1.863 1.00 3.20 C ATOM 160 NZ LYS A 11 0.608 -16.507 1.865 1.00 20.14 N ATOM 0 H LYS A 11 -0.261 -9.834 4.780 1.00 52.04 H new ATOM 0 HA LYS A 11 -2.358 -10.729 3.172 1.00 43.24 H new ATOM 0 HB2 LYS A 11 0.049 -11.297 2.874 1.00 11.12 H new ATOM 0 HB3 LYS A 11 0.005 -12.274 4.328 1.00 11.12 H new ATOM 0 HG2 LYS A 11 -1.849 -13.649 3.184 1.00 64.05 H new ATOM 0 HG3 LYS A 11 -1.446 -12.791 1.710 1.00 64.05 H new ATOM 0 HD2 LYS A 11 0.799 -13.684 1.688 1.00 44.02 H new ATOM 0 HD3 LYS A 11 0.650 -14.290 3.326 1.00 44.02 H new ATOM 0 HE2 LYS A 11 -1.278 -15.767 2.466 1.00 3.20 H new ATOM 0 HE3 LYS A 11 -0.798 -15.300 0.847 1.00 3.20 H new ATOM 0 HZ1 LYS A 11 0.617 -16.985 0.941 1.00 20.14 H new ATOM 0 HZ2 LYS A 11 1.540 -16.082 2.044 1.00 20.14 H new ATOM 0 HZ3 LYS A 11 0.394 -17.199 2.611 1.00 20.14 H new ATOM 174 N SER A 12 -2.235 -12.186 6.144 1.00 34.41 N ATOM 175 CA SER A 12 -3.021 -12.983 7.090 1.00 2.12 C ATOM 176 C SER A 12 -4.363 -12.313 7.368 1.00 41.44 C ATOM 177 O SER A 12 -5.355 -12.983 7.609 1.00 64.11 O ATOM 178 CB SER A 12 -2.266 -13.204 8.409 1.00 44.52 C ATOM 179 OG SER A 12 -1.073 -13.951 8.211 1.00 64.53 O ATOM 0 H SER A 12 -1.355 -11.830 6.518 1.00 34.41 H new ATOM 0 HA SER A 12 -3.193 -13.957 6.631 1.00 2.12 H new ATOM 0 HB2 SER A 12 -2.022 -12.240 8.855 1.00 44.52 H new ATOM 0 HB3 SER A 12 -2.911 -13.728 9.115 1.00 44.52 H new ATOM 0 HG SER A 12 -0.410 -13.393 7.752 1.00 64.53 H new ATOM 185 N ARG A 13 -4.394 -10.984 7.328 1.00 54.02 N ATOM 186 CA ARG A 13 -5.651 -10.246 7.483 1.00 24.22 C ATOM 187 C ARG A 13 -6.545 -10.367 6.241 1.00 72.11 C ATOM 188 O ARG A 13 -7.769 -10.401 6.355 1.00 3.50 O ATOM 189 CB ARG A 13 -5.377 -8.775 7.802 1.00 15.53 C ATOM 190 CG ARG A 13 -4.855 -8.561 9.214 1.00 61.30 C ATOM 191 CD ARG A 13 -4.681 -7.083 9.542 1.00 71.21 C ATOM 192 NE ARG A 13 -4.402 -6.864 10.963 1.00 70.02 N ATOM 193 CZ ARG A 13 -3.594 -5.946 11.420 1.00 63.25 C ATOM 194 NH1 ARG A 13 -2.930 -5.195 10.611 1.00 73.42 N ATOM 195 NH2 ARG A 13 -3.449 -5.780 12.691 1.00 31.02 N ATOM 0 H ARG A 13 -3.572 -10.396 7.191 1.00 54.02 H new ATOM 0 HA ARG A 13 -6.188 -10.695 8.319 1.00 24.22 H new ATOM 0 HB2 ARG A 13 -4.652 -8.383 7.089 1.00 15.53 H new ATOM 0 HB3 ARG A 13 -6.295 -8.203 7.669 1.00 15.53 H new ATOM 0 HG2 ARG A 13 -5.545 -9.012 9.927 1.00 61.30 H new ATOM 0 HG3 ARG A 13 -3.899 -9.072 9.328 1.00 61.30 H new ATOM 0 HD2 ARG A 13 -3.866 -6.673 8.945 1.00 71.21 H new ATOM 0 HD3 ARG A 13 -5.584 -6.541 9.262 1.00 71.21 H new ATOM 0 HE ARG A 13 -4.869 -7.468 11.639 1.00 70.02 H new ATOM 0 HH11 ARG A 13 -3.033 -5.315 9.603 1.00 73.42 H new ATOM 0 HH12 ARG A 13 -2.301 -4.481 10.978 1.00 73.42 H new ATOM 0 HH21 ARG A 13 -3.967 -6.368 13.344 1.00 31.02 H new ATOM 0 HH22 ARG A 13 -2.816 -5.061 13.043 1.00 31.02 H new ATOM 209 N LEU A 14 -5.934 -10.431 5.063 1.00 2.23 N ATOM 210 CA LEU A 14 -6.679 -10.619 3.816 1.00 41.42 C ATOM 211 C LEU A 14 -7.375 -11.997 3.800 1.00 4.51 C ATOM 212 O LEU A 14 -8.579 -12.095 3.562 1.00 60.32 O ATOM 213 CB LEU A 14 -5.717 -10.475 2.616 1.00 24.30 C ATOM 214 CG LEU A 14 -6.362 -10.054 1.281 1.00 23.35 C ATOM 215 CD1 LEU A 14 -5.291 -9.699 0.251 1.00 63.54 C ATOM 216 CD2 LEU A 14 -7.284 -11.141 0.729 1.00 62.31 C ATOM 0 H LEU A 14 -4.924 -10.356 4.942 1.00 2.23 H new ATOM 0 HA LEU A 14 -7.453 -9.855 3.743 1.00 41.42 H new ATOM 0 HB2 LEU A 14 -4.952 -9.742 2.874 1.00 24.30 H new ATOM 0 HB3 LEU A 14 -5.208 -11.428 2.467 1.00 24.30 H new ATOM 0 HG LEU A 14 -6.969 -9.171 1.480 1.00 23.35 H new ATOM 0 HD11 LEU A 14 -5.768 -9.405 -0.684 1.00 63.54 H new ATOM 0 HD12 LEU A 14 -4.686 -8.873 0.625 1.00 63.54 H new ATOM 0 HD13 LEU A 14 -4.653 -10.566 0.076 1.00 63.54 H new ATOM 0 HD21 LEU A 14 -7.719 -10.806 -0.213 1.00 62.31 H new ATOM 0 HD22 LEU A 14 -6.711 -12.053 0.560 1.00 62.31 H new ATOM 0 HD23 LEU A 14 -8.081 -11.341 1.446 1.00 62.31 H new ATOM 228 N GLU A 15 -6.608 -13.054 4.064 1.00 34.33 N ATOM 229 CA GLU A 15 -7.135 -14.427 4.040 1.00 62.44 C ATOM 230 C GLU A 15 -7.849 -14.798 5.356 1.00 5.14 C ATOM 231 O GLU A 15 -8.999 -15.244 5.352 1.00 74.14 O ATOM 232 CB GLU A 15 -5.988 -15.421 3.792 1.00 25.04 C ATOM 233 CG GLU A 15 -5.108 -15.088 2.590 1.00 62.35 C ATOM 234 CD GLU A 15 -3.912 -16.023 2.470 1.00 62.31 C ATOM 235 OE1 GLU A 15 -3.142 -16.135 3.450 1.00 23.10 O ATOM 236 OE2 GLU A 15 -3.737 -16.655 1.406 1.00 1.34 O ATOM 0 H GLU A 15 -5.617 -12.990 4.298 1.00 34.33 H new ATOM 0 HA GLU A 15 -7.866 -14.480 3.233 1.00 62.44 H new ATOM 0 HB2 GLU A 15 -5.362 -15.463 4.683 1.00 25.04 H new ATOM 0 HB3 GLU A 15 -6.411 -16.416 3.652 1.00 25.04 H new ATOM 0 HG2 GLU A 15 -5.704 -15.146 1.679 1.00 62.35 H new ATOM 0 HG3 GLU A 15 -4.755 -14.060 2.675 1.00 62.35 H new ATOM 243 N TRP A 16 -7.158 -14.606 6.478 1.00 34.43 N ATOM 244 CA TRP A 16 -7.628 -15.080 7.792 1.00 62.20 C ATOM 245 C TRP A 16 -8.342 -13.979 8.604 1.00 41.12 C ATOM 246 O TRP A 16 -9.326 -14.247 9.302 1.00 22.45 O ATOM 247 CB TRP A 16 -6.431 -15.604 8.606 1.00 53.40 C ATOM 248 CG TRP A 16 -5.603 -16.631 7.887 1.00 51.31 C ATOM 249 CD1 TRP A 16 -4.737 -16.412 6.854 1.00 61.25 C ATOM 250 CD2 TRP A 16 -5.555 -18.035 8.158 1.00 71.13 C ATOM 251 NE1 TRP A 16 -4.167 -17.595 6.456 1.00 74.32 N ATOM 252 CE2 TRP A 16 -4.650 -18.607 7.244 1.00 70.43 C ATOM 253 CE3 TRP A 16 -6.192 -18.861 9.084 1.00 25.21 C ATOM 254 CZ2 TRP A 16 -4.370 -19.970 7.230 1.00 15.41 C ATOM 255 CZ3 TRP A 16 -5.913 -20.215 9.071 1.00 3.24 C ATOM 256 CH2 TRP A 16 -5.007 -20.758 8.150 1.00 23.35 C ATOM 0 H TRP A 16 -6.261 -14.121 6.510 1.00 34.43 H new ATOM 0 HA TRP A 16 -8.352 -15.873 7.605 1.00 62.20 H new ATOM 0 HB2 TRP A 16 -5.793 -14.763 8.876 1.00 53.40 H new ATOM 0 HB3 TRP A 16 -6.799 -16.036 9.536 1.00 53.40 H new ATOM 0 HD1 TRP A 16 -4.531 -15.447 6.414 1.00 61.25 H new ATOM 0 HE1 TRP A 16 -3.494 -17.704 5.698 1.00 74.32 H new ATOM 0 HE3 TRP A 16 -6.890 -18.450 9.798 1.00 25.21 H new ATOM 0 HZ2 TRP A 16 -3.675 -20.391 6.519 1.00 15.41 H new ATOM 0 HZ3 TRP A 16 -6.401 -20.865 9.782 1.00 3.24 H new ATOM 0 HH2 TRP A 16 -4.808 -21.819 8.167 1.00 23.35 H new ATOM 267 N GLY A 17 -7.838 -12.751 8.515 1.00 11.22 N ATOM 268 CA GLY A 17 -8.329 -11.657 9.352 1.00 3.33 C ATOM 269 C GLY A 17 -9.592 -10.985 8.815 1.00 42.01 C ATOM 270 O GLY A 17 -10.407 -11.616 8.139 1.00 54.35 O ATOM 0 H GLY A 17 -7.091 -12.487 7.873 1.00 11.22 H new ATOM 0 HA2 GLY A 17 -8.531 -12.040 10.352 1.00 3.33 H new ATOM 0 HA3 GLY A 17 -7.544 -10.907 9.450 1.00 3.33 H new ATOM 274 N GLU A 18 -9.742 -9.696 9.112 1.00 72.05 N ATOM 275 CA GLU A 18 -10.907 -8.915 8.676 1.00 74.11 C ATOM 276 C GLU A 18 -10.523 -7.912 7.572 1.00 73.34 C ATOM 277 O GLU A 18 -9.382 -7.462 7.502 1.00 20.43 O ATOM 278 CB GLU A 18 -11.547 -8.177 9.865 1.00 1.11 C ATOM 279 CG GLU A 18 -10.619 -7.217 10.610 1.00 14.35 C ATOM 280 CD GLU A 18 -9.599 -7.927 11.493 1.00 11.34 C ATOM 281 OE1 GLU A 18 -9.974 -8.398 12.586 1.00 54.35 O ATOM 282 OE2 GLU A 18 -8.418 -8.026 11.094 1.00 54.54 O ATOM 0 H GLU A 18 -9.066 -9.162 9.658 1.00 72.05 H new ATOM 0 HA GLU A 18 -11.637 -9.613 8.265 1.00 74.11 H new ATOM 0 HB2 GLU A 18 -12.409 -7.616 9.503 1.00 1.11 H new ATOM 0 HB3 GLU A 18 -11.922 -8.917 10.572 1.00 1.11 H new ATOM 0 HG2 GLU A 18 -10.092 -6.596 9.885 1.00 14.35 H new ATOM 0 HG3 GLU A 18 -11.219 -6.548 11.226 1.00 14.35 H new ATOM 289 N PRO A 19 -11.482 -7.535 6.698 1.00 52.01 N ATOM 290 CA PRO A 19 -11.218 -6.647 5.556 1.00 31.52 C ATOM 291 C PRO A 19 -11.322 -5.151 5.905 1.00 72.43 C ATOM 292 O PRO A 19 -11.550 -4.312 5.031 1.00 62.22 O ATOM 293 CB PRO A 19 -12.319 -7.058 4.576 1.00 53.53 C ATOM 294 CG PRO A 19 -13.479 -7.427 5.444 1.00 63.44 C ATOM 295 CD PRO A 19 -12.903 -7.942 6.748 1.00 65.42 C ATOM 0 HA PRO A 19 -10.202 -6.751 5.175 1.00 31.52 H new ATOM 0 HB2 PRO A 19 -12.573 -6.241 3.901 1.00 53.53 H new ATOM 0 HB3 PRO A 19 -12.005 -7.898 3.956 1.00 53.53 H new ATOM 0 HG2 PRO A 19 -14.121 -6.564 5.619 1.00 63.44 H new ATOM 0 HG3 PRO A 19 -14.093 -8.189 4.965 1.00 63.44 H new ATOM 0 HD2 PRO A 19 -13.412 -7.508 7.608 1.00 65.42 H new ATOM 0 HD3 PRO A 19 -13.005 -9.024 6.830 1.00 65.42 H new ATOM 303 N ALA A 20 -11.127 -4.818 7.178 1.00 13.02 N ATOM 304 CA ALA A 20 -11.243 -3.432 7.652 1.00 11.34 C ATOM 305 C ALA A 20 -9.960 -2.620 7.383 1.00 44.54 C ATOM 306 O ALA A 20 -9.402 -1.997 8.291 1.00 41.23 O ATOM 307 CB ALA A 20 -11.580 -3.433 9.141 1.00 61.13 C ATOM 0 H ALA A 20 -10.886 -5.489 7.907 1.00 13.02 H new ATOM 0 HA ALA A 20 -12.045 -2.947 7.096 1.00 11.34 H new ATOM 0 HB1 ALA A 20 -11.667 -2.406 9.495 1.00 61.13 H new ATOM 0 HB2 ALA A 20 -12.525 -3.952 9.300 1.00 61.13 H new ATOM 0 HB3 ALA A 20 -10.789 -3.942 9.693 1.00 61.13 H new ATOM 313 N PHE A 21 -9.503 -2.631 6.128 1.00 4.42 N ATOM 314 CA PHE A 21 -8.296 -1.894 5.726 1.00 61.25 C ATOM 315 C PHE A 21 -8.318 -1.556 4.223 1.00 44.11 C ATOM 316 O PHE A 21 -9.028 -2.191 3.445 1.00 44.13 O ATOM 317 CB PHE A 21 -7.031 -2.701 6.068 1.00 50.52 C ATOM 318 CG PHE A 21 -6.952 -4.055 5.395 1.00 42.54 C ATOM 319 CD1 PHE A 21 -6.418 -4.186 4.119 1.00 71.44 C ATOM 320 CD2 PHE A 21 -7.413 -5.195 6.041 1.00 61.22 C ATOM 321 CE1 PHE A 21 -6.344 -5.421 3.505 1.00 61.41 C ATOM 322 CE2 PHE A 21 -7.339 -6.433 5.428 1.00 13.41 C ATOM 323 CZ PHE A 21 -6.806 -6.546 4.159 1.00 73.21 C ATOM 0 H PHE A 21 -9.951 -3.143 5.368 1.00 4.42 H new ATOM 0 HA PHE A 21 -8.281 -0.957 6.283 1.00 61.25 H new ATOM 0 HB2 PHE A 21 -6.155 -2.117 5.786 1.00 50.52 H new ATOM 0 HB3 PHE A 21 -6.986 -2.842 7.148 1.00 50.52 H new ATOM 0 HD1 PHE A 21 -6.056 -3.311 3.600 1.00 71.44 H new ATOM 0 HD2 PHE A 21 -7.834 -5.114 7.032 1.00 61.22 H new ATOM 0 HE1 PHE A 21 -5.925 -5.507 2.513 1.00 61.41 H new ATOM 0 HE2 PHE A 21 -7.698 -7.312 5.942 1.00 13.41 H new ATOM 0 HZ PHE A 21 -6.751 -7.512 3.679 1.00 73.21 H new ATOM 333 N THR A 22 -7.542 -0.551 3.825 1.00 51.13 N ATOM 334 CA THR A 22 -7.420 -0.176 2.407 1.00 63.04 C ATOM 335 C THR A 22 -5.945 -0.093 1.979 1.00 12.52 C ATOM 336 O THR A 22 -5.144 0.586 2.617 1.00 20.23 O ATOM 337 CB THR A 22 -8.111 1.179 2.111 1.00 44.45 C ATOM 338 OG1 THR A 22 -9.501 1.128 2.484 1.00 63.21 O ATOM 339 CG2 THR A 22 -7.999 1.540 0.632 1.00 3.11 C ATOM 0 H THR A 22 -6.986 0.022 4.460 1.00 51.13 H new ATOM 0 HA THR A 22 -7.919 -0.957 1.834 1.00 63.04 H new ATOM 0 HB THR A 22 -7.605 1.944 2.700 1.00 44.45 H new ATOM 0 HG1 THR A 22 -9.923 1.992 2.293 1.00 63.21 H new ATOM 0 HG21 THR A 22 -8.492 2.495 0.452 1.00 3.11 H new ATOM 0 HG22 THR A 22 -6.948 1.617 0.355 1.00 3.11 H new ATOM 0 HG23 THR A 22 -8.477 0.766 0.031 1.00 3.11 H new ATOM 347 N ILE A 23 -5.597 -0.785 0.894 1.00 74.11 N ATOM 348 CA ILE A 23 -4.204 -0.861 0.426 1.00 71.42 C ATOM 349 C ILE A 23 -3.927 0.129 -0.722 1.00 35.44 C ATOM 350 O ILE A 23 -4.689 0.204 -1.686 1.00 32.02 O ATOM 351 CB ILE A 23 -3.873 -2.298 -0.052 1.00 52.35 C ATOM 352 CG1 ILE A 23 -4.172 -3.316 1.064 1.00 45.32 C ATOM 353 CG2 ILE A 23 -2.416 -2.399 -0.499 1.00 24.53 C ATOM 354 CD1 ILE A 23 -3.967 -4.759 0.652 1.00 25.21 C ATOM 0 H ILE A 23 -6.260 -1.304 0.318 1.00 74.11 H new ATOM 0 HA ILE A 23 -3.569 -0.594 1.270 1.00 71.42 H new ATOM 0 HB ILE A 23 -4.505 -2.529 -0.909 1.00 52.35 H new ATOM 0 HG12 ILE A 23 -3.533 -3.099 1.920 1.00 45.32 H new ATOM 0 HG13 ILE A 23 -5.203 -3.186 1.394 1.00 45.32 H new ATOM 0 HG21 ILE A 23 -2.207 -3.416 -0.830 1.00 24.53 H new ATOM 0 HG22 ILE A 23 -2.239 -1.706 -1.321 1.00 24.53 H new ATOM 0 HG23 ILE A 23 -1.761 -2.147 0.335 1.00 24.53 H new ATOM 0 HD11 ILE A 23 -4.198 -5.414 1.492 1.00 25.21 H new ATOM 0 HD12 ILE A 23 -4.625 -4.996 -0.184 1.00 25.21 H new ATOM 0 HD13 ILE A 23 -2.930 -4.908 0.351 1.00 25.21 H new ATOM 366 N LEU A 24 -2.826 0.880 -0.614 1.00 1.02 N ATOM 367 CA LEU A 24 -2.437 1.859 -1.646 1.00 21.01 C ATOM 368 C LEU A 24 -1.074 1.520 -2.267 1.00 64.54 C ATOM 369 O LEU A 24 -0.078 1.373 -1.555 1.00 53.33 O ATOM 370 CB LEU A 24 -2.370 3.275 -1.055 1.00 52.22 C ATOM 371 CG LEU A 24 -3.663 3.785 -0.396 1.00 45.41 C ATOM 372 CD1 LEU A 24 -3.509 5.237 0.047 1.00 34.35 C ATOM 373 CD2 LEU A 24 -4.856 3.634 -1.333 1.00 73.14 C ATOM 0 H LEU A 24 -2.185 0.832 0.178 1.00 1.02 H new ATOM 0 HA LEU A 24 -3.200 1.816 -2.423 1.00 21.01 H new ATOM 0 HB2 LEU A 24 -1.571 3.302 -0.314 1.00 52.22 H new ATOM 0 HB3 LEU A 24 -2.091 3.967 -1.849 1.00 52.22 H new ATOM 0 HG LEU A 24 -3.849 3.174 0.487 1.00 45.41 H new ATOM 0 HD11 LEU A 24 -4.436 5.576 0.510 1.00 34.35 H new ATOM 0 HD12 LEU A 24 -2.694 5.313 0.767 1.00 34.35 H new ATOM 0 HD13 LEU A 24 -3.287 5.860 -0.819 1.00 34.35 H new ATOM 0 HD21 LEU A 24 -5.755 4.003 -0.840 1.00 73.14 H new ATOM 0 HD22 LEU A 24 -4.679 4.209 -2.242 1.00 73.14 H new ATOM 0 HD23 LEU A 24 -4.987 2.582 -1.588 1.00 73.14 H new ATOM 385 N ASP A 25 -1.032 1.408 -3.596 1.00 12.13 N ATOM 386 CA ASP A 25 0.227 1.182 -4.313 1.00 50.10 C ATOM 387 C ASP A 25 0.820 2.516 -4.801 1.00 2.21 C ATOM 388 O ASP A 25 0.279 3.161 -5.702 1.00 40.44 O ATOM 389 CB ASP A 25 0.006 0.229 -5.489 1.00 72.42 C ATOM 390 CG ASP A 25 1.302 -0.098 -6.207 1.00 0.24 C ATOM 391 OD1 ASP A 25 2.196 -0.702 -5.571 1.00 53.14 O ATOM 392 OD2 ASP A 25 1.435 0.256 -7.392 1.00 2.43 O ATOM 0 H ASP A 25 -1.853 1.470 -4.198 1.00 12.13 H new ATOM 0 HA ASP A 25 0.938 0.724 -3.626 1.00 50.10 H new ATOM 0 HB2 ASP A 25 -0.451 -0.692 -5.128 1.00 72.42 H new ATOM 0 HB3 ASP A 25 -0.695 0.678 -6.193 1.00 72.42 H new ATOM 397 N VAL A 26 1.943 2.911 -4.202 1.00 30.12 N ATOM 398 CA VAL A 26 2.515 4.252 -4.408 1.00 2.31 C ATOM 399 C VAL A 26 3.752 4.251 -5.322 1.00 52.23 C ATOM 400 O VAL A 26 4.408 5.278 -5.486 1.00 4.44 O ATOM 401 CB VAL A 26 2.878 4.884 -3.042 1.00 71.40 C ATOM 402 CG1 VAL A 26 1.619 5.081 -2.205 1.00 64.21 C ATOM 403 CG2 VAL A 26 3.898 4.017 -2.305 1.00 25.42 C ATOM 0 H VAL A 26 2.481 2.322 -3.566 1.00 30.12 H new ATOM 0 HA VAL A 26 1.750 4.844 -4.911 1.00 2.31 H new ATOM 0 HB VAL A 26 3.331 5.860 -3.214 1.00 71.40 H new ATOM 0 HG11 VAL A 26 1.885 5.526 -1.246 1.00 64.21 H new ATOM 0 HG12 VAL A 26 0.931 5.741 -2.733 1.00 64.21 H new ATOM 0 HG13 VAL A 26 1.139 4.117 -2.037 1.00 64.21 H new ATOM 0 HG21 VAL A 26 4.142 4.476 -1.347 1.00 25.42 H new ATOM 0 HG22 VAL A 26 3.478 3.026 -2.136 1.00 25.42 H new ATOM 0 HG23 VAL A 26 4.803 3.930 -2.906 1.00 25.42 H new ATOM 413 N ARG A 27 4.057 3.115 -5.936 1.00 22.24 N ATOM 414 CA ARG A 27 5.241 3.008 -6.800 1.00 62.02 C ATOM 415 C ARG A 27 5.048 3.735 -8.148 1.00 10.30 C ATOM 416 O ARG A 27 5.844 4.603 -8.508 1.00 64.43 O ATOM 417 CB ARG A 27 5.611 1.536 -7.019 1.00 4.00 C ATOM 418 CG ARG A 27 4.431 0.673 -7.420 1.00 2.33 C ATOM 419 CD ARG A 27 4.809 -0.796 -7.579 1.00 13.23 C ATOM 420 NE ARG A 27 5.039 -1.445 -6.297 1.00 35.52 N ATOM 421 CZ ARG A 27 5.715 -2.546 -6.148 1.00 34.40 C ATOM 422 NH1 ARG A 27 6.188 -3.179 -7.176 1.00 75.03 N ATOM 423 NH2 ARG A 27 5.915 -3.019 -4.966 1.00 3.30 N ATOM 0 H ARG A 27 3.510 2.257 -5.857 1.00 22.24 H new ATOM 0 HA ARG A 27 6.065 3.505 -6.288 1.00 62.02 H new ATOM 0 HB2 ARG A 27 6.377 1.473 -7.791 1.00 4.00 H new ATOM 0 HB3 ARG A 27 6.048 1.138 -6.103 1.00 4.00 H new ATOM 0 HG2 ARG A 27 3.647 0.764 -6.669 1.00 2.33 H new ATOM 0 HG3 ARG A 27 4.017 1.042 -8.359 1.00 2.33 H new ATOM 0 HD2 ARG A 27 4.014 -1.318 -8.112 1.00 13.23 H new ATOM 0 HD3 ARG A 27 5.708 -0.874 -8.191 1.00 13.23 H new ATOM 0 HE ARG A 27 4.645 -1.009 -5.463 1.00 35.52 H new ATOM 0 HH11 ARG A 27 6.032 -2.814 -8.116 1.00 75.03 H new ATOM 0 HH12 ARG A 27 6.717 -4.042 -7.045 1.00 75.03 H new ATOM 0 HH21 ARG A 27 5.544 -2.530 -4.151 1.00 3.30 H new ATOM 0 HH22 ARG A 27 6.445 -3.882 -4.845 1.00 3.30 H new ATOM 437 N ASP A 28 3.990 3.383 -8.881 1.00 42.11 N ATOM 438 CA ASP A 28 3.693 4.012 -10.178 1.00 33.43 C ATOM 439 C ASP A 28 2.325 3.560 -10.703 1.00 62.33 C ATOM 440 O ASP A 28 1.866 2.469 -10.383 1.00 23.23 O ATOM 441 CB ASP A 28 4.771 3.661 -11.215 1.00 23.00 C ATOM 442 CG ASP A 28 4.523 4.336 -12.548 1.00 53.04 C ATOM 443 OD1 ASP A 28 4.649 5.572 -12.622 1.00 32.10 O ATOM 444 OD2 ASP A 28 4.172 3.635 -13.518 1.00 42.44 O ATOM 0 H ASP A 28 3.321 2.665 -8.602 1.00 42.11 H new ATOM 0 HA ASP A 28 3.680 5.091 -10.024 1.00 33.43 H new ATOM 0 HB2 ASP A 28 5.749 3.958 -10.835 1.00 23.00 H new ATOM 0 HB3 ASP A 28 4.799 2.581 -11.356 1.00 23.00 H new ATOM 449 N ARG A 29 1.685 4.389 -11.529 1.00 32.11 N ATOM 450 CA ARG A 29 0.392 4.034 -12.119 1.00 73.44 C ATOM 451 C ARG A 29 0.509 2.816 -13.054 1.00 4.34 C ATOM 452 O ARG A 29 -0.309 1.891 -13.002 1.00 54.21 O ATOM 453 CB ARG A 29 -0.193 5.221 -12.895 1.00 44.22 C ATOM 454 CG ARG A 29 -1.548 4.913 -13.530 1.00 10.32 C ATOM 455 CD ARG A 29 -2.604 4.600 -12.474 1.00 33.52 C ATOM 456 NE ARG A 29 -3.808 3.998 -13.043 1.00 13.55 N ATOM 457 CZ ARG A 29 -5.020 4.417 -12.808 1.00 20.15 C ATOM 458 NH1 ARG A 29 -5.221 5.528 -12.178 1.00 34.21 N ATOM 459 NH2 ARG A 29 -6.032 3.743 -13.244 1.00 14.41 N ATOM 0 H ARG A 29 2.038 5.306 -11.804 1.00 32.11 H new ATOM 0 HA ARG A 29 -0.276 3.774 -11.298 1.00 73.44 H new ATOM 0 HB2 ARG A 29 -0.299 6.071 -12.221 1.00 44.22 H new ATOM 0 HB3 ARG A 29 0.508 5.518 -13.675 1.00 44.22 H new ATOM 0 HG2 ARG A 29 -1.872 5.764 -14.129 1.00 10.32 H new ATOM 0 HG3 ARG A 29 -1.449 4.066 -14.208 1.00 10.32 H new ATOM 0 HD2 ARG A 29 -2.180 3.924 -11.732 1.00 33.52 H new ATOM 0 HD3 ARG A 29 -2.873 5.518 -11.952 1.00 33.52 H new ATOM 0 HE ARG A 29 -3.693 3.198 -13.665 1.00 13.55 H new ATOM 0 HH11 ARG A 29 -4.428 6.085 -11.860 1.00 34.21 H new ATOM 0 HH12 ARG A 29 -6.173 5.848 -11.999 1.00 34.21 H new ATOM 0 HH21 ARG A 29 -5.883 2.883 -13.772 1.00 14.41 H new ATOM 0 HH22 ARG A 29 -6.980 4.071 -13.060 1.00 14.41 H new ATOM 473 N SER A 30 1.528 2.807 -13.908 1.00 32.44 N ATOM 474 CA SER A 30 1.708 1.711 -14.867 1.00 12.21 C ATOM 475 C SER A 30 2.318 0.485 -14.197 1.00 51.11 C ATOM 476 O SER A 30 1.901 -0.640 -14.465 1.00 15.30 O ATOM 477 CB SER A 30 2.561 2.151 -16.063 1.00 72.55 C ATOM 478 OG SER A 30 1.897 3.147 -16.829 1.00 32.44 O ATOM 0 H SER A 30 2.238 3.537 -13.960 1.00 32.44 H new ATOM 0 HA SER A 30 0.720 1.439 -15.238 1.00 12.21 H new ATOM 0 HB2 SER A 30 3.517 2.538 -15.709 1.00 72.55 H new ATOM 0 HB3 SER A 30 2.780 1.289 -16.694 1.00 72.55 H new ATOM 0 HG SER A 30 2.463 3.411 -17.584 1.00 32.44 H new ATOM 484 N THR A 31 3.294 0.700 -13.316 1.00 1.35 N ATOM 485 CA THR A 31 3.855 -0.400 -12.524 1.00 53.01 C ATOM 486 C THR A 31 2.775 -1.036 -11.633 1.00 34.20 C ATOM 487 O THR A 31 2.798 -2.241 -11.384 1.00 11.25 O ATOM 488 CB THR A 31 5.054 0.058 -11.658 1.00 31.23 C ATOM 489 OG1 THR A 31 6.070 0.629 -12.496 1.00 4.20 O ATOM 490 CG2 THR A 31 5.656 -1.102 -10.870 1.00 52.32 C ATOM 0 H THR A 31 3.710 1.613 -13.132 1.00 1.35 H new ATOM 0 HA THR A 31 4.221 -1.145 -13.230 1.00 53.01 H new ATOM 0 HB THR A 31 4.684 0.800 -10.951 1.00 31.23 H new ATOM 0 HG1 THR A 31 6.825 0.919 -11.943 1.00 4.20 H new ATOM 0 HG21 THR A 31 6.495 -0.741 -10.275 1.00 52.32 H new ATOM 0 HG22 THR A 31 4.899 -1.526 -10.211 1.00 52.32 H new ATOM 0 HG23 THR A 31 6.005 -1.869 -11.561 1.00 52.32 H new ATOM 498 N TYR A 32 1.822 -0.216 -11.174 1.00 1.41 N ATOM 499 CA TYR A 32 0.619 -0.720 -10.496 1.00 32.12 C ATOM 500 C TYR A 32 -0.103 -1.738 -11.385 1.00 14.25 C ATOM 501 O TYR A 32 -0.384 -2.857 -10.963 1.00 20.11 O ATOM 502 CB TYR A 32 -0.329 0.444 -10.149 1.00 11.00 C ATOM 503 CG TYR A 32 -1.734 0.006 -9.759 1.00 13.52 C ATOM 504 CD1 TYR A 32 -2.028 -0.404 -8.463 1.00 21.02 C ATOM 505 CD2 TYR A 32 -2.764 0.000 -10.697 1.00 34.52 C ATOM 506 CE1 TYR A 32 -3.304 -0.816 -8.117 1.00 14.40 C ATOM 507 CE2 TYR A 32 -4.039 -0.405 -10.356 1.00 3.33 C ATOM 508 CZ TYR A 32 -4.306 -0.810 -9.068 1.00 3.02 C ATOM 509 OH TYR A 32 -5.574 -1.227 -8.733 1.00 23.00 O ATOM 0 H TYR A 32 1.860 0.800 -11.259 1.00 1.41 H new ATOM 0 HA TYR A 32 0.923 -1.211 -9.572 1.00 32.12 H new ATOM 0 HB2 TYR A 32 0.102 1.017 -9.328 1.00 11.00 H new ATOM 0 HB3 TYR A 32 -0.394 1.114 -11.006 1.00 11.00 H new ATOM 0 HD1 TYR A 32 -1.249 -0.401 -7.715 1.00 21.02 H new ATOM 0 HD2 TYR A 32 -2.561 0.318 -11.709 1.00 34.52 H new ATOM 0 HE1 TYR A 32 -3.515 -1.140 -7.109 1.00 14.40 H new ATOM 0 HE2 TYR A 32 -4.824 -0.404 -11.097 1.00 3.33 H new ATOM 0 HH TYR A 32 -5.685 -1.187 -7.760 1.00 23.00 H new ATOM 519 N ASN A 33 -0.393 -1.344 -12.625 1.00 14.12 N ATOM 520 CA ASN A 33 -1.009 -2.257 -13.594 1.00 71.44 C ATOM 521 C ASN A 33 -0.133 -3.495 -13.824 1.00 44.43 C ATOM 522 O ASN A 33 -0.644 -4.608 -13.893 1.00 15.35 O ATOM 523 CB ASN A 33 -1.283 -1.541 -14.923 1.00 54.22 C ATOM 524 CG ASN A 33 -2.463 -0.585 -14.835 1.00 43.02 C ATOM 525 OD1 ASN A 33 -3.610 -0.974 -15.041 1.00 54.25 O ATOM 526 ND2 ASN A 33 -2.200 0.671 -14.531 1.00 24.01 N ATOM 0 H ASN A 33 -0.214 -0.406 -12.983 1.00 14.12 H new ATOM 0 HA ASN A 33 -1.961 -2.587 -13.177 1.00 71.44 H new ATOM 0 HB2 ASN A 33 -0.393 -0.989 -15.225 1.00 54.22 H new ATOM 0 HB3 ASN A 33 -1.477 -2.282 -15.699 1.00 54.22 H new ATOM 0 HD21 ASN A 33 -2.959 1.349 -14.462 1.00 24.01 H new ATOM 0 HD22 ASN A 33 -1.237 0.965 -14.365 1.00 24.01 H new ATOM 533 N ASP A 34 1.183 -3.303 -13.909 1.00 30.31 N ATOM 534 CA ASP A 34 2.118 -4.418 -14.099 1.00 51.43 C ATOM 535 C ASP A 34 2.024 -5.447 -12.957 1.00 52.22 C ATOM 536 O ASP A 34 1.977 -6.657 -13.202 1.00 3.41 O ATOM 537 CB ASP A 34 3.558 -3.898 -14.210 1.00 74.33 C ATOM 538 CG ASP A 34 3.765 -2.979 -15.403 1.00 73.43 C ATOM 539 OD1 ASP A 34 3.042 -3.124 -16.411 1.00 62.43 O ATOM 540 OD2 ASP A 34 4.670 -2.122 -15.345 1.00 35.31 O ATOM 0 H ASP A 34 1.628 -2.387 -13.850 1.00 30.31 H new ATOM 0 HA ASP A 34 1.839 -4.918 -15.027 1.00 51.43 H new ATOM 0 HB2 ASP A 34 3.817 -3.363 -13.296 1.00 74.33 H new ATOM 0 HB3 ASP A 34 4.240 -4.745 -14.288 1.00 74.33 H new ATOM 545 N GLY A 35 1.980 -4.962 -11.716 1.00 62.15 N ATOM 546 CA GLY A 35 1.890 -5.851 -10.561 1.00 41.14 C ATOM 547 C GLY A 35 1.478 -5.128 -9.280 1.00 2.34 C ATOM 548 O GLY A 35 2.052 -4.102 -8.927 1.00 61.21 O ATOM 0 H GLY A 35 2.005 -3.968 -11.487 1.00 62.15 H new ATOM 0 HA2 GLY A 35 1.170 -6.641 -10.773 1.00 41.14 H new ATOM 0 HA3 GLY A 35 2.855 -6.333 -10.405 1.00 41.14 H new ATOM 552 N HIS A 36 0.485 -5.673 -8.581 1.00 72.51 N ATOM 553 CA HIS A 36 -0.004 -5.084 -7.330 1.00 34.43 C ATOM 554 C HIS A 36 -0.747 -6.124 -6.479 1.00 72.14 C ATOM 555 O HIS A 36 -1.130 -7.185 -6.970 1.00 2.13 O ATOM 556 CB HIS A 36 -0.931 -3.895 -7.627 1.00 62.10 C ATOM 557 CG HIS A 36 -2.141 -4.247 -8.445 1.00 33.02 C ATOM 558 ND1 HIS A 36 -2.119 -4.355 -9.817 1.00 14.13 N ATOM 559 CD2 HIS A 36 -3.422 -4.490 -8.078 1.00 50.15 C ATOM 560 CE1 HIS A 36 -3.325 -4.639 -10.260 1.00 53.54 C ATOM 561 NE2 HIS A 36 -4.135 -4.729 -9.226 1.00 4.53 N ATOM 0 H HIS A 36 -0.001 -6.526 -8.859 1.00 72.51 H new ATOM 0 HA HIS A 36 0.860 -4.734 -6.766 1.00 34.43 H new ATOM 0 HB2 HIS A 36 -1.259 -3.459 -6.683 1.00 62.10 H new ATOM 0 HB3 HIS A 36 -0.362 -3.127 -8.152 1.00 62.10 H new ATOM 0 HD1 HIS A 36 -1.292 -4.233 -10.402 1.00 14.13 H new ATOM 0 HD2 HIS A 36 -3.810 -4.495 -7.070 1.00 50.15 H new ATOM 0 HE1 HIS A 36 -3.603 -4.775 -11.295 1.00 53.54 H new ATOM 570 N ILE A 37 -0.957 -5.809 -5.207 1.00 1.13 N ATOM 571 CA ILE A 37 -1.727 -6.672 -4.304 1.00 55.23 C ATOM 572 C ILE A 37 -3.183 -6.828 -4.781 1.00 40.40 C ATOM 573 O ILE A 37 -3.779 -5.887 -5.314 1.00 41.34 O ATOM 574 CB ILE A 37 -1.714 -6.115 -2.856 1.00 13.22 C ATOM 575 CG1 ILE A 37 -0.284 -6.144 -2.288 1.00 71.43 C ATOM 576 CG2 ILE A 37 -2.671 -6.901 -1.960 1.00 71.44 C ATOM 577 CD1 ILE A 37 -0.154 -5.527 -0.912 1.00 74.21 C ATOM 0 H ILE A 37 -0.604 -4.957 -4.770 1.00 1.13 H new ATOM 0 HA ILE A 37 -1.249 -7.652 -4.313 1.00 55.23 H new ATOM 0 HB ILE A 37 -2.056 -5.080 -2.881 1.00 13.22 H new ATOM 0 HG12 ILE A 37 0.057 -7.178 -2.245 1.00 71.43 H new ATOM 0 HG13 ILE A 37 0.379 -5.618 -2.975 1.00 71.43 H new ATOM 0 HG21 ILE A 37 -2.644 -6.491 -0.950 1.00 71.44 H new ATOM 0 HG22 ILE A 37 -3.684 -6.825 -2.355 1.00 71.44 H new ATOM 0 HG23 ILE A 37 -2.369 -7.948 -1.935 1.00 71.44 H new ATOM 0 HD11 ILE A 37 0.883 -5.587 -0.583 1.00 74.21 H new ATOM 0 HD12 ILE A 37 -0.463 -4.482 -0.951 1.00 74.21 H new ATOM 0 HD13 ILE A 37 -0.789 -6.067 -0.210 1.00 74.21 H new ATOM 589 N MET A 38 -3.737 -8.027 -4.598 1.00 53.20 N ATOM 590 CA MET A 38 -5.120 -8.323 -4.993 1.00 74.21 C ATOM 591 C MET A 38 -6.116 -7.313 -4.381 1.00 12.23 C ATOM 592 O MET A 38 -6.382 -7.336 -3.177 1.00 73.34 O ATOM 593 CB MET A 38 -5.489 -9.744 -4.548 1.00 3.53 C ATOM 594 CG MET A 38 -6.867 -10.213 -5.008 1.00 65.05 C ATOM 595 SD MET A 38 -6.909 -10.678 -6.750 1.00 31.20 S ATOM 596 CE MET A 38 -5.739 -12.034 -6.772 1.00 33.23 C ATOM 0 H MET A 38 -3.247 -8.816 -4.176 1.00 53.20 H new ATOM 0 HA MET A 38 -5.184 -8.242 -6.078 1.00 74.21 H new ATOM 0 HB2 MET A 38 -4.738 -10.437 -4.928 1.00 3.53 H new ATOM 0 HB3 MET A 38 -5.447 -9.793 -3.460 1.00 3.53 H new ATOM 0 HG2 MET A 38 -7.175 -11.066 -4.403 1.00 65.05 H new ATOM 0 HG3 MET A 38 -7.592 -9.419 -4.832 1.00 65.05 H new ATOM 0 HE1 MET A 38 -5.920 -12.656 -7.648 1.00 33.23 H new ATOM 0 HE2 MET A 38 -4.724 -11.638 -6.811 1.00 33.23 H new ATOM 0 HE3 MET A 38 -5.860 -12.634 -5.870 1.00 33.23 H new ATOM 606 N GLY A 39 -6.662 -6.432 -5.220 1.00 65.00 N ATOM 607 CA GLY A 39 -7.642 -5.447 -4.763 1.00 0.34 C ATOM 608 C GLY A 39 -7.025 -4.175 -4.180 1.00 41.11 C ATOM 609 O GLY A 39 -7.646 -3.509 -3.349 1.00 21.33 O ATOM 0 H GLY A 39 -6.443 -6.380 -6.215 1.00 65.00 H new ATOM 0 HA2 GLY A 39 -8.285 -5.175 -5.600 1.00 0.34 H new ATOM 0 HA3 GLY A 39 -8.279 -5.908 -4.008 1.00 0.34 H new ATOM 613 N ALA A 40 -5.807 -3.834 -4.606 1.00 52.05 N ATOM 614 CA ALA A 40 -5.146 -2.601 -4.152 1.00 50.23 C ATOM 615 C ALA A 40 -5.604 -1.379 -4.964 1.00 44.20 C ATOM 616 O ALA A 40 -6.130 -1.511 -6.069 1.00 73.24 O ATOM 617 CB ALA A 40 -3.631 -2.744 -4.228 1.00 52.32 C ATOM 0 H ALA A 40 -5.257 -4.389 -5.262 1.00 52.05 H new ATOM 0 HA ALA A 40 -5.435 -2.440 -3.113 1.00 50.23 H new ATOM 0 HB1 ALA A 40 -3.161 -1.821 -3.888 1.00 52.32 H new ATOM 0 HB2 ALA A 40 -3.311 -3.570 -3.593 1.00 52.32 H new ATOM 0 HB3 ALA A 40 -3.336 -2.943 -5.258 1.00 52.32 H new ATOM 623 N MET A 41 -5.385 -0.188 -4.416 1.00 51.22 N ATOM 624 CA MET A 41 -5.832 1.060 -5.052 1.00 32.21 C ATOM 625 C MET A 41 -4.714 1.737 -5.850 1.00 65.51 C ATOM 626 O MET A 41 -3.534 1.644 -5.502 1.00 35.03 O ATOM 627 CB MET A 41 -6.338 2.028 -3.984 1.00 51.22 C ATOM 628 CG MET A 41 -7.493 1.479 -3.163 1.00 44.20 C ATOM 629 SD MET A 41 -9.051 1.441 -4.075 1.00 25.02 S ATOM 630 CE MET A 41 -9.278 3.182 -4.437 1.00 53.55 C ATOM 0 H MET A 41 -4.899 -0.054 -3.529 1.00 51.22 H new ATOM 0 HA MET A 41 -6.631 0.802 -5.746 1.00 32.21 H new ATOM 0 HB2 MET A 41 -5.515 2.280 -3.315 1.00 51.22 H new ATOM 0 HB3 MET A 41 -6.653 2.954 -4.465 1.00 51.22 H new ATOM 0 HG2 MET A 41 -7.248 0.470 -2.831 1.00 44.20 H new ATOM 0 HG3 MET A 41 -7.617 2.088 -2.268 1.00 44.20 H new ATOM 0 HE1 MET A 41 -10.339 3.388 -4.581 1.00 53.55 H new ATOM 0 HE2 MET A 41 -8.902 3.779 -3.606 1.00 53.55 H new ATOM 0 HE3 MET A 41 -8.732 3.439 -5.345 1.00 53.55 H new ATOM 640 N ALA A 42 -5.103 2.432 -6.914 1.00 51.14 N ATOM 641 CA ALA A 42 -4.155 3.183 -7.742 1.00 65.23 C ATOM 642 C ALA A 42 -3.873 4.577 -7.157 1.00 72.55 C ATOM 643 O ALA A 42 -4.551 5.556 -7.483 1.00 51.41 O ATOM 644 CB ALA A 42 -4.669 3.297 -9.172 1.00 74.32 C ATOM 0 H ALA A 42 -6.072 2.493 -7.227 1.00 51.14 H new ATOM 0 HA ALA A 42 -3.214 2.632 -7.750 1.00 65.23 H new ATOM 0 HB1 ALA A 42 -3.953 3.858 -9.773 1.00 74.32 H new ATOM 0 HB2 ALA A 42 -4.795 2.300 -9.594 1.00 74.32 H new ATOM 0 HB3 ALA A 42 -5.628 3.815 -9.174 1.00 74.32 H new ATOM 650 N MET A 43 -2.883 4.651 -6.276 1.00 0.12 N ATOM 651 CA MET A 43 -2.441 5.924 -5.689 1.00 14.42 C ATOM 652 C MET A 43 -0.919 6.075 -5.792 1.00 50.23 C ATOM 653 O MET A 43 -0.194 5.770 -4.847 1.00 51.54 O ATOM 654 CB MET A 43 -2.865 6.037 -4.212 1.00 35.31 C ATOM 655 CG MET A 43 -4.308 6.463 -3.995 1.00 22.35 C ATOM 656 SD MET A 43 -5.508 5.142 -4.210 1.00 43.43 S ATOM 657 CE MET A 43 -6.998 6.037 -3.783 1.00 75.13 C ATOM 0 H MET A 43 -2.362 3.839 -5.945 1.00 0.12 H new ATOM 0 HA MET A 43 -2.921 6.723 -6.255 1.00 14.42 H new ATOM 0 HB2 MET A 43 -2.709 5.073 -3.729 1.00 35.31 H new ATOM 0 HB3 MET A 43 -2.211 6.753 -3.714 1.00 35.31 H new ATOM 0 HG2 MET A 43 -4.408 6.868 -2.988 1.00 22.35 H new ATOM 0 HG3 MET A 43 -4.545 7.270 -4.688 1.00 22.35 H new ATOM 0 HE1 MET A 43 -7.494 5.541 -2.948 1.00 75.13 H new ATOM 0 HE2 MET A 43 -6.741 7.057 -3.498 1.00 75.13 H new ATOM 0 HE3 MET A 43 -7.668 6.059 -4.642 1.00 75.13 H new ATOM 667 N PRO A 44 -0.415 6.566 -6.936 1.00 44.11 N ATOM 668 CA PRO A 44 1.027 6.705 -7.151 1.00 52.25 C ATOM 669 C PRO A 44 1.612 7.837 -6.297 1.00 71.21 C ATOM 670 O PRO A 44 0.976 8.873 -6.113 1.00 43.34 O ATOM 671 CB PRO A 44 1.134 7.014 -8.650 1.00 42.33 C ATOM 672 CG PRO A 44 -0.164 7.663 -8.999 1.00 41.45 C ATOM 673 CD PRO A 44 -1.205 7.062 -8.081 1.00 73.00 C ATOM 0 HA PRO A 44 1.589 5.816 -6.863 1.00 52.25 H new ATOM 0 HB2 PRO A 44 1.975 7.675 -8.859 1.00 42.33 H new ATOM 0 HB3 PRO A 44 1.291 6.105 -9.231 1.00 42.33 H new ATOM 0 HG2 PRO A 44 -0.106 8.743 -8.865 1.00 41.45 H new ATOM 0 HG3 PRO A 44 -0.419 7.484 -10.044 1.00 41.45 H new ATOM 0 HD2 PRO A 44 -1.940 7.804 -7.769 1.00 73.00 H new ATOM 0 HD3 PRO A 44 -1.753 6.256 -8.569 1.00 73.00 H new ATOM 681 N ILE A 45 2.828 7.636 -5.792 1.00 72.33 N ATOM 682 CA ILE A 45 3.460 8.563 -4.839 1.00 1.41 C ATOM 683 C ILE A 45 3.387 10.035 -5.306 1.00 43.44 C ATOM 684 O ILE A 45 3.423 10.960 -4.495 1.00 35.53 O ATOM 685 CB ILE A 45 4.933 8.140 -4.580 1.00 35.31 C ATOM 686 CG1 ILE A 45 5.489 8.802 -3.308 1.00 74.25 C ATOM 687 CG2 ILE A 45 5.815 8.451 -5.791 1.00 34.30 C ATOM 688 CD1 ILE A 45 6.793 8.190 -2.831 1.00 43.31 C ATOM 0 H ILE A 45 3.406 6.830 -6.028 1.00 72.33 H new ATOM 0 HA ILE A 45 2.899 8.503 -3.907 1.00 1.41 H new ATOM 0 HB ILE A 45 4.945 7.061 -4.424 1.00 35.31 H new ATOM 0 HG12 ILE A 45 5.643 9.864 -3.498 1.00 74.25 H new ATOM 0 HG13 ILE A 45 4.747 8.724 -2.513 1.00 74.25 H new ATOM 0 HG21 ILE A 45 6.840 8.145 -5.583 1.00 34.30 H new ATOM 0 HG22 ILE A 45 5.444 7.908 -6.660 1.00 34.30 H new ATOM 0 HG23 ILE A 45 5.790 9.522 -5.994 1.00 34.30 H new ATOM 0 HD11 ILE A 45 7.128 8.704 -1.930 1.00 43.31 H new ATOM 0 HD12 ILE A 45 6.640 7.134 -2.610 1.00 43.31 H new ATOM 0 HD13 ILE A 45 7.549 8.292 -3.610 1.00 43.31 H new ATOM 700 N GLU A 46 3.276 10.234 -6.617 1.00 25.30 N ATOM 701 CA GLU A 46 3.104 11.573 -7.194 1.00 0.12 C ATOM 702 C GLU A 46 1.727 12.173 -6.844 1.00 42.42 C ATOM 703 O GLU A 46 1.628 13.300 -6.359 1.00 70.44 O ATOM 704 CB GLU A 46 3.247 11.502 -8.720 1.00 64.32 C ATOM 705 CG GLU A 46 4.529 10.825 -9.192 1.00 25.54 C ATOM 706 CD GLU A 46 4.594 10.689 -10.705 1.00 1.33 C ATOM 707 OE1 GLU A 46 4.943 11.677 -11.388 1.00 63.02 O ATOM 708 OE2 GLU A 46 4.286 9.597 -11.223 1.00 74.33 O ATOM 0 H GLU A 46 3.302 9.483 -7.307 1.00 25.30 H new ATOM 0 HA GLU A 46 3.875 12.216 -6.771 1.00 0.12 H new ATOM 0 HB2 GLU A 46 2.392 10.964 -9.130 1.00 64.32 H new ATOM 0 HB3 GLU A 46 3.212 12.513 -9.125 1.00 64.32 H new ATOM 0 HG2 GLU A 46 5.388 11.399 -8.845 1.00 25.54 H new ATOM 0 HG3 GLU A 46 4.602 9.837 -8.738 1.00 25.54 H new ATOM 715 N ASP A 47 0.666 11.402 -7.085 1.00 3.42 N ATOM 716 CA ASP A 47 -0.709 11.889 -6.909 1.00 63.10 C ATOM 717 C ASP A 47 -1.342 11.356 -5.612 1.00 5.34 C ATOM 718 O ASP A 47 -2.508 11.622 -5.327 1.00 43.20 O ATOM 719 CB ASP A 47 -1.566 11.459 -8.108 1.00 41.14 C ATOM 720 CG ASP A 47 -2.618 12.496 -8.463 1.00 65.01 C ATOM 721 OD1 ASP A 47 -2.305 13.704 -8.423 1.00 4.25 O ATOM 722 OD2 ASP A 47 -3.757 12.110 -8.786 1.00 74.51 O ATOM 0 H ASP A 47 0.729 10.435 -7.403 1.00 3.42 H new ATOM 0 HA ASP A 47 -0.671 12.976 -6.843 1.00 63.10 H new ATOM 0 HB2 ASP A 47 -0.922 11.288 -8.970 1.00 41.14 H new ATOM 0 HB3 ASP A 47 -2.054 10.511 -7.882 1.00 41.14 H new ATOM 727 N LEU A 48 -0.561 10.609 -4.840 1.00 74.41 N ATOM 728 CA LEU A 48 -1.043 9.932 -3.625 1.00 53.34 C ATOM 729 C LEU A 48 -1.925 10.825 -2.731 1.00 1.41 C ATOM 730 O LEU A 48 -3.020 10.417 -2.334 1.00 45.04 O ATOM 731 CB LEU A 48 0.162 9.428 -2.820 1.00 11.22 C ATOM 732 CG LEU A 48 -0.159 8.801 -1.454 1.00 23.32 C ATOM 733 CD1 LEU A 48 -0.996 7.536 -1.610 1.00 25.21 C ATOM 734 CD2 LEU A 48 1.123 8.512 -0.676 1.00 75.54 C ATOM 0 H LEU A 48 0.428 10.451 -5.033 1.00 74.41 H new ATOM 0 HA LEU A 48 -1.673 9.104 -3.951 1.00 53.34 H new ATOM 0 HB2 LEU A 48 0.693 8.690 -3.421 1.00 11.22 H new ATOM 0 HB3 LEU A 48 0.845 10.263 -2.664 1.00 11.22 H new ATOM 0 HG LEU A 48 -0.748 9.521 -0.886 1.00 23.32 H new ATOM 0 HD11 LEU A 48 -1.207 7.116 -0.627 1.00 25.21 H new ATOM 0 HD12 LEU A 48 -1.934 7.780 -2.109 1.00 25.21 H new ATOM 0 HD13 LEU A 48 -0.446 6.807 -2.206 1.00 25.21 H new ATOM 0 HD21 LEU A 48 0.872 8.069 0.288 1.00 75.54 H new ATOM 0 HD22 LEU A 48 1.745 7.819 -1.243 1.00 75.54 H new ATOM 0 HD23 LEU A 48 1.669 9.442 -0.516 1.00 75.54 H new ATOM 746 N VAL A 49 -1.452 12.031 -2.414 1.00 70.53 N ATOM 747 CA VAL A 49 -2.182 12.932 -1.510 1.00 63.32 C ATOM 748 C VAL A 49 -3.590 13.251 -2.042 1.00 74.22 C ATOM 749 O VAL A 49 -4.587 13.057 -1.343 1.00 75.11 O ATOM 750 CB VAL A 49 -1.400 14.254 -1.286 1.00 61.54 C ATOM 751 CG1 VAL A 49 -2.193 15.217 -0.401 1.00 30.13 C ATOM 752 CG2 VAL A 49 -0.024 13.971 -0.681 1.00 61.10 C ATOM 0 H VAL A 49 -0.572 12.408 -2.766 1.00 70.53 H new ATOM 0 HA VAL A 49 -2.281 12.411 -0.558 1.00 63.32 H new ATOM 0 HB VAL A 49 -1.257 14.730 -2.256 1.00 61.54 H new ATOM 0 HG11 VAL A 49 -1.623 16.135 -0.260 1.00 30.13 H new ATOM 0 HG12 VAL A 49 -3.144 15.451 -0.879 1.00 30.13 H new ATOM 0 HG13 VAL A 49 -2.378 14.752 0.568 1.00 30.13 H new ATOM 0 HG21 VAL A 49 0.508 14.911 -0.532 1.00 61.10 H new ATOM 0 HG22 VAL A 49 -0.145 13.466 0.278 1.00 61.10 H new ATOM 0 HG23 VAL A 49 0.547 13.334 -1.357 1.00 61.10 H new ATOM 762 N ASP A 50 -3.662 13.717 -3.284 1.00 62.13 N ATOM 763 CA ASP A 50 -4.942 14.031 -3.929 1.00 52.24 C ATOM 764 C ASP A 50 -5.819 12.774 -4.086 1.00 63.51 C ATOM 765 O ASP A 50 -6.980 12.749 -3.668 1.00 1.41 O ATOM 766 CB ASP A 50 -4.685 14.659 -5.300 1.00 4.44 C ATOM 767 CG ASP A 50 -3.853 15.927 -5.210 1.00 23.00 C ATOM 768 OD1 ASP A 50 -2.622 15.825 -5.013 1.00 23.43 O ATOM 769 OD2 ASP A 50 -4.426 17.031 -5.330 1.00 65.35 O ATOM 0 H ASP A 50 -2.846 13.888 -3.872 1.00 62.13 H new ATOM 0 HA ASP A 50 -5.478 14.736 -3.293 1.00 52.24 H new ATOM 0 HB2 ASP A 50 -4.174 13.937 -5.937 1.00 4.44 H new ATOM 0 HB3 ASP A 50 -5.638 14.886 -5.777 1.00 4.44 H new ATOM 774 N ARG A 51 -5.244 11.735 -4.686 1.00 54.04 N ATOM 775 CA ARG A 51 -5.939 10.461 -4.907 1.00 44.33 C ATOM 776 C ARG A 51 -6.597 9.925 -3.626 1.00 4.32 C ATOM 777 O ARG A 51 -7.801 9.651 -3.597 1.00 61.20 O ATOM 778 CB ARG A 51 -4.944 9.423 -5.435 1.00 30.21 C ATOM 779 CG ARG A 51 -4.538 9.629 -6.885 1.00 43.51 C ATOM 780 CD ARG A 51 -5.695 9.338 -7.827 1.00 25.13 C ATOM 781 NE ARG A 51 -5.401 9.715 -9.206 1.00 11.42 N ATOM 782 CZ ARG A 51 -5.931 9.140 -10.253 1.00 40.22 C ATOM 783 NH1 ARG A 51 -6.754 8.151 -10.121 1.00 41.10 N ATOM 784 NH2 ARG A 51 -5.628 9.548 -11.439 1.00 50.42 N ATOM 0 H ARG A 51 -4.285 11.748 -5.034 1.00 54.04 H new ATOM 0 HA ARG A 51 -6.730 10.642 -5.635 1.00 44.33 H new ATOM 0 HB2 ARG A 51 -4.049 9.445 -4.813 1.00 30.21 H new ATOM 0 HB3 ARG A 51 -5.382 8.430 -5.330 1.00 30.21 H new ATOM 0 HG2 ARG A 51 -4.199 10.655 -7.028 1.00 43.51 H new ATOM 0 HG3 ARG A 51 -3.697 8.978 -7.126 1.00 43.51 H new ATOM 0 HD2 ARG A 51 -5.933 8.275 -7.787 1.00 25.13 H new ATOM 0 HD3 ARG A 51 -6.580 9.876 -7.487 1.00 25.13 H new ATOM 0 HE ARG A 51 -4.740 10.476 -9.362 1.00 11.42 H new ATOM 0 HH11 ARG A 51 -6.997 7.810 -9.191 1.00 41.10 H new ATOM 0 HH12 ARG A 51 -7.160 7.712 -10.947 1.00 41.10 H new ATOM 0 HH21 ARG A 51 -4.974 10.321 -11.561 1.00 50.42 H new ATOM 0 HH22 ARG A 51 -6.043 9.098 -12.255 1.00 50.42 H new ATOM 798 N ALA A 52 -5.803 9.773 -2.574 1.00 53.25 N ATOM 799 CA ALA A 52 -6.297 9.234 -1.307 1.00 51.40 C ATOM 800 C ALA A 52 -7.293 10.188 -0.632 1.00 63.24 C ATOM 801 O ALA A 52 -8.307 9.755 -0.093 1.00 42.41 O ATOM 802 CB ALA A 52 -5.130 8.924 -0.379 1.00 30.02 C ATOM 0 H ALA A 52 -4.812 10.015 -2.570 1.00 53.25 H new ATOM 0 HA ALA A 52 -6.833 8.309 -1.522 1.00 51.40 H new ATOM 0 HB1 ALA A 52 -5.509 8.523 0.561 1.00 30.02 H new ATOM 0 HB2 ALA A 52 -4.476 8.189 -0.849 1.00 30.02 H new ATOM 0 HB3 ALA A 52 -4.568 9.837 -0.184 1.00 30.02 H new ATOM 808 N SER A 53 -7.010 11.490 -0.677 1.00 55.11 N ATOM 809 CA SER A 53 -7.881 12.498 -0.050 1.00 24.15 C ATOM 810 C SER A 53 -9.277 12.523 -0.684 1.00 65.53 C ATOM 811 O SER A 53 -10.273 12.806 -0.016 1.00 34.15 O ATOM 812 CB SER A 53 -7.251 13.892 -0.151 1.00 34.32 C ATOM 813 OG SER A 53 -8.071 14.877 0.458 1.00 5.13 O ATOM 0 H SER A 53 -6.187 11.876 -1.139 1.00 55.11 H new ATOM 0 HA SER A 53 -7.988 12.219 0.998 1.00 24.15 H new ATOM 0 HB2 SER A 53 -6.272 13.886 0.327 1.00 34.32 H new ATOM 0 HB3 SER A 53 -7.092 14.146 -1.199 1.00 34.32 H new ATOM 0 HG SER A 53 -7.642 15.754 0.379 1.00 5.13 H new ATOM 819 N SER A 54 -9.348 12.236 -1.980 1.00 2.04 N ATOM 820 CA SER A 54 -10.631 12.232 -2.698 1.00 34.21 C ATOM 821 C SER A 54 -11.440 10.949 -2.438 1.00 64.43 C ATOM 822 O SER A 54 -12.618 11.008 -2.080 1.00 53.20 O ATOM 823 CB SER A 54 -10.402 12.398 -4.207 1.00 2.02 C ATOM 824 OG SER A 54 -11.634 12.433 -4.912 1.00 52.33 O ATOM 0 H SER A 54 -8.540 12.003 -2.558 1.00 2.04 H new ATOM 0 HA SER A 54 -11.209 13.075 -2.319 1.00 34.21 H new ATOM 0 HB2 SER A 54 -9.846 13.317 -4.394 1.00 2.02 H new ATOM 0 HB3 SER A 54 -9.791 11.575 -4.578 1.00 2.02 H new ATOM 0 HG SER A 54 -11.460 12.541 -5.870 1.00 52.33 H new ATOM 830 N SER A 55 -10.806 9.790 -2.617 1.00 25.41 N ATOM 831 CA SER A 55 -11.506 8.495 -2.511 1.00 23.35 C ATOM 832 C SER A 55 -11.606 7.986 -1.061 1.00 11.40 C ATOM 833 O SER A 55 -12.606 7.374 -0.675 1.00 2.43 O ATOM 834 CB SER A 55 -10.799 7.428 -3.365 1.00 54.22 C ATOM 835 OG SER A 55 -10.753 7.792 -4.739 1.00 22.51 O ATOM 0 H SER A 55 -9.813 9.714 -2.836 1.00 25.41 H new ATOM 0 HA SER A 55 -12.518 8.666 -2.878 1.00 23.35 H new ATOM 0 HB2 SER A 55 -9.785 7.280 -2.995 1.00 54.22 H new ATOM 0 HB3 SER A 55 -11.319 6.476 -3.259 1.00 54.22 H new ATOM 0 HG SER A 55 -10.295 7.091 -5.248 1.00 22.51 H new ATOM 841 N LEU A 56 -10.577 8.247 -0.263 1.00 34.51 N ATOM 842 CA LEU A 56 -10.452 7.663 1.083 1.00 22.33 C ATOM 843 C LEU A 56 -10.661 8.682 2.204 1.00 12.24 C ATOM 844 O LEU A 56 -10.643 9.896 1.987 1.00 43.35 O ATOM 845 CB LEU A 56 -9.064 7.031 1.242 1.00 74.53 C ATOM 846 CG LEU A 56 -8.842 5.742 0.447 1.00 65.03 C ATOM 847 CD1 LEU A 56 -7.388 5.295 0.538 1.00 73.51 C ATOM 848 CD2 LEU A 56 -9.771 4.650 0.963 1.00 43.41 C ATOM 0 H LEU A 56 -9.807 8.864 -0.521 1.00 34.51 H new ATOM 0 HA LEU A 56 -11.239 6.914 1.172 1.00 22.33 H new ATOM 0 HB2 LEU A 56 -8.313 7.760 0.939 1.00 74.53 H new ATOM 0 HB3 LEU A 56 -8.896 6.821 2.298 1.00 74.53 H new ATOM 0 HG LEU A 56 -9.070 5.934 -0.602 1.00 65.03 H new ATOM 0 HD11 LEU A 56 -7.253 4.377 -0.034 1.00 73.51 H new ATOM 0 HD12 LEU A 56 -6.742 6.074 0.133 1.00 73.51 H new ATOM 0 HD13 LEU A 56 -7.128 5.114 1.581 1.00 73.51 H new ATOM 0 HD21 LEU A 56 -9.609 3.735 0.393 1.00 43.41 H new ATOM 0 HD22 LEU A 56 -9.563 4.463 2.017 1.00 43.41 H new ATOM 0 HD23 LEU A 56 -10.807 4.969 0.849 1.00 43.41 H new ATOM 860 N GLU A 57 -10.868 8.161 3.410 1.00 54.23 N ATOM 861 CA GLU A 57 -10.882 8.982 4.617 1.00 75.31 C ATOM 862 C GLU A 57 -9.481 9.156 5.169 1.00 20.24 C ATOM 863 O GLU A 57 -8.519 8.594 4.657 1.00 14.42 O ATOM 864 CB GLU A 57 -11.728 8.360 5.725 1.00 74.23 C ATOM 865 CG GLU A 57 -13.183 8.173 5.380 1.00 1.54 C ATOM 866 CD GLU A 57 -13.447 6.876 4.627 1.00 73.31 C ATOM 867 OE1 GLU A 57 -13.411 5.798 5.258 1.00 4.22 O ATOM 868 OE2 GLU A 57 -13.676 6.922 3.401 1.00 71.51 O ATOM 0 H GLU A 57 -11.029 7.168 3.578 1.00 54.23 H new ATOM 0 HA GLU A 57 -11.308 9.941 4.322 1.00 75.31 H new ATOM 0 HB2 GLU A 57 -11.304 7.391 5.986 1.00 74.23 H new ATOM 0 HB3 GLU A 57 -11.657 8.988 6.613 1.00 74.23 H new ATOM 0 HG2 GLU A 57 -13.773 8.183 6.296 1.00 1.54 H new ATOM 0 HG3 GLU A 57 -13.520 9.015 4.775 1.00 1.54 H new ATOM 875 N LYS A 58 -9.391 9.892 6.258 1.00 52.14 N ATOM 876 CA LYS A 58 -8.105 10.112 6.929 1.00 74.31 C ATOM 877 C LYS A 58 -7.978 9.235 8.184 1.00 34.33 C ATOM 878 O LYS A 58 -6.876 8.895 8.618 1.00 11.35 O ATOM 879 CB LYS A 58 -7.926 11.601 7.261 1.00 75.23 C ATOM 880 CG LYS A 58 -7.945 12.487 6.016 1.00 34.31 C ATOM 881 CD LYS A 58 -7.475 13.913 6.300 1.00 41.11 C ATOM 882 CE LYS A 58 -7.476 14.766 5.033 1.00 13.34 C ATOM 883 NZ LYS A 58 -6.955 16.138 5.276 1.00 73.54 N ATOM 0 H LYS A 58 -10.185 10.351 6.704 1.00 52.14 H new ATOM 0 HA LYS A 58 -7.305 9.818 6.249 1.00 74.31 H new ATOM 0 HB2 LYS A 58 -8.719 11.916 7.939 1.00 75.23 H new ATOM 0 HB3 LYS A 58 -6.982 11.741 7.788 1.00 75.23 H new ATOM 0 HG2 LYS A 58 -7.308 12.044 5.250 1.00 34.31 H new ATOM 0 HG3 LYS A 58 -8.957 12.516 5.611 1.00 34.31 H new ATOM 0 HD2 LYS A 58 -8.124 14.369 7.047 1.00 41.11 H new ATOM 0 HD3 LYS A 58 -6.471 13.889 6.723 1.00 41.11 H new ATOM 0 HE2 LYS A 58 -6.869 14.279 4.269 1.00 13.34 H new ATOM 0 HE3 LYS A 58 -8.491 14.829 4.641 1.00 13.34 H new ATOM 0 HZ1 LYS A 58 -7.277 16.771 4.516 1.00 73.54 H new ATOM 0 HZ2 LYS A 58 -7.308 16.487 6.190 1.00 73.54 H new ATOM 0 HZ3 LYS A 58 -5.915 16.117 5.292 1.00 73.54 H new ATOM 897 N SER A 59 -9.112 8.848 8.745 1.00 44.33 N ATOM 898 CA SER A 59 -9.141 7.948 9.910 1.00 3.32 C ATOM 899 C SER A 59 -9.168 6.478 9.464 1.00 1.51 C ATOM 900 O SER A 59 -9.099 5.564 10.288 1.00 62.32 O ATOM 901 CB SER A 59 -10.368 8.242 10.785 1.00 63.14 C ATOM 902 OG SER A 59 -10.489 9.632 11.058 1.00 41.42 O ATOM 0 H SER A 59 -10.033 9.139 8.418 1.00 44.33 H new ATOM 0 HA SER A 59 -8.236 8.123 10.491 1.00 3.32 H new ATOM 0 HB2 SER A 59 -11.268 7.889 10.282 1.00 63.14 H new ATOM 0 HB3 SER A 59 -10.289 7.691 11.722 1.00 63.14 H new ATOM 0 HG SER A 59 -9.718 9.930 11.584 1.00 41.42 H new ATOM 908 N ARG A 60 -9.264 6.266 8.153 1.00 21.21 N ATOM 909 CA ARG A 60 -9.337 4.921 7.566 1.00 52.30 C ATOM 910 C ARG A 60 -8.010 4.157 7.719 1.00 32.14 C ATOM 911 O ARG A 60 -6.941 4.711 7.479 1.00 65.41 O ATOM 912 CB ARG A 60 -9.707 5.037 6.076 1.00 72.03 C ATOM 913 CG ARG A 60 -9.738 3.707 5.324 1.00 73.25 C ATOM 914 CD ARG A 60 -10.767 2.747 5.908 1.00 44.44 C ATOM 915 NE ARG A 60 -12.116 3.313 5.902 1.00 64.22 N ATOM 916 CZ ARG A 60 -13.137 2.778 6.508 1.00 34.41 C ATOM 917 NH1 ARG A 60 -13.003 1.703 7.216 1.00 11.30 N ATOM 918 NH2 ARG A 60 -14.294 3.337 6.420 1.00 43.05 N ATOM 0 H ARG A 60 -9.294 7.018 7.465 1.00 21.21 H new ATOM 0 HA ARG A 60 -10.102 4.358 8.100 1.00 52.30 H new ATOM 0 HB2 ARG A 60 -10.686 5.509 5.994 1.00 72.03 H new ATOM 0 HB3 ARG A 60 -8.992 5.699 5.588 1.00 72.03 H new ATOM 0 HG2 ARG A 60 -9.967 3.889 4.274 1.00 73.25 H new ATOM 0 HG3 ARG A 60 -8.751 3.247 5.360 1.00 73.25 H new ATOM 0 HD2 ARG A 60 -10.762 1.819 5.336 1.00 44.44 H new ATOM 0 HD3 ARG A 60 -10.486 2.493 6.930 1.00 44.44 H new ATOM 0 HE ARG A 60 -12.267 4.182 5.390 1.00 64.22 H new ATOM 0 HH11 ARG A 60 -12.088 1.262 7.306 1.00 11.30 H new ATOM 0 HH12 ARG A 60 -13.813 1.297 7.684 1.00 11.30 H new ATOM 0 HH21 ARG A 60 -14.407 4.194 5.878 1.00 43.05 H new ATOM 0 HH22 ARG A 60 -15.098 2.923 6.892 1.00 43.05 H new ATOM 932 N ASP A 61 -8.095 2.887 8.121 1.00 43.43 N ATOM 933 CA ASP A 61 -6.914 2.019 8.228 1.00 32.42 C ATOM 934 C ASP A 61 -6.297 1.755 6.846 1.00 61.13 C ATOM 935 O ASP A 61 -6.745 0.878 6.105 1.00 60.51 O ATOM 936 CB ASP A 61 -7.288 0.690 8.898 1.00 63.43 C ATOM 937 CG ASP A 61 -7.721 0.852 10.346 1.00 44.41 C ATOM 938 OD1 ASP A 61 -8.217 1.937 10.714 1.00 0.31 O ATOM 939 OD2 ASP A 61 -7.587 -0.117 11.123 1.00 52.34 O ATOM 0 H ASP A 61 -8.971 2.433 8.379 1.00 43.43 H new ATOM 0 HA ASP A 61 -6.174 2.532 8.842 1.00 32.42 H new ATOM 0 HB2 ASP A 61 -8.094 0.220 8.335 1.00 63.43 H new ATOM 0 HB3 ASP A 61 -6.433 0.015 8.854 1.00 63.43 H new ATOM 944 N ILE A 62 -5.278 2.530 6.500 1.00 41.31 N ATOM 945 CA ILE A 62 -4.636 2.431 5.187 1.00 42.55 C ATOM 946 C ILE A 62 -3.247 1.779 5.265 1.00 64.42 C ATOM 947 O ILE A 62 -2.426 2.135 6.109 1.00 72.14 O ATOM 948 CB ILE A 62 -4.513 3.832 4.539 1.00 64.12 C ATOM 949 CG1 ILE A 62 -5.911 4.448 4.342 1.00 22.31 C ATOM 950 CG2 ILE A 62 -3.755 3.756 3.213 1.00 25.31 C ATOM 951 CD1 ILE A 62 -5.893 5.870 3.830 1.00 12.41 C ATOM 0 H ILE A 62 -4.873 3.239 7.111 1.00 41.31 H new ATOM 0 HA ILE A 62 -5.271 1.793 4.572 1.00 42.55 H new ATOM 0 HB ILE A 62 -3.942 4.476 5.208 1.00 64.12 H new ATOM 0 HG12 ILE A 62 -6.474 3.829 3.643 1.00 22.31 H new ATOM 0 HG13 ILE A 62 -6.445 4.422 5.292 1.00 22.31 H new ATOM 0 HG21 ILE A 62 -3.682 4.753 2.778 1.00 25.31 H new ATOM 0 HG22 ILE A 62 -2.754 3.362 3.388 1.00 25.31 H new ATOM 0 HG23 ILE A 62 -4.288 3.099 2.526 1.00 25.31 H new ATOM 0 HD11 ILE A 62 -6.916 6.230 3.719 1.00 12.41 H new ATOM 0 HD12 ILE A 62 -5.360 6.505 4.538 1.00 12.41 H new ATOM 0 HD13 ILE A 62 -5.390 5.902 2.864 1.00 12.41 H new ATOM 963 N TYR A 63 -2.996 0.817 4.382 1.00 72.24 N ATOM 964 CA TYR A 63 -1.680 0.182 4.261 1.00 1.22 C ATOM 965 C TYR A 63 -1.031 0.536 2.919 1.00 11.22 C ATOM 966 O TYR A 63 -1.552 0.208 1.854 1.00 71.43 O ATOM 967 CB TYR A 63 -1.799 -1.338 4.419 1.00 1.41 C ATOM 968 CG TYR A 63 -1.960 -1.768 5.865 1.00 60.00 C ATOM 969 CD1 TYR A 63 -3.203 -1.741 6.491 1.00 11.14 C ATOM 970 CD2 TYR A 63 -0.860 -2.178 6.610 1.00 22.54 C ATOM 971 CE1 TYR A 63 -3.342 -2.114 7.815 1.00 41.04 C ATOM 972 CE2 TYR A 63 -0.992 -2.546 7.932 1.00 70.50 C ATOM 973 CZ TYR A 63 -2.231 -2.513 8.530 1.00 12.23 C ATOM 974 OH TYR A 63 -2.355 -2.873 9.852 1.00 50.34 O ATOM 0 H TYR A 63 -3.693 0.454 3.731 1.00 72.24 H new ATOM 0 HA TYR A 63 -1.042 0.561 5.059 1.00 1.22 H new ATOM 0 HB2 TYR A 63 -2.653 -1.693 3.842 1.00 1.41 H new ATOM 0 HB3 TYR A 63 -0.912 -1.813 4.000 1.00 1.41 H new ATOM 0 HD1 TYR A 63 -4.072 -1.424 5.934 1.00 11.14 H new ATOM 0 HD2 TYR A 63 0.114 -2.209 6.145 1.00 22.54 H new ATOM 0 HE1 TYR A 63 -4.313 -2.093 8.287 1.00 41.04 H new ATOM 0 HE2 TYR A 63 -0.126 -2.859 8.496 1.00 70.50 H new ATOM 0 HH TYR A 63 -3.292 -2.789 10.127 1.00 50.34 H new ATOM 984 N VAL A 64 0.110 1.204 2.988 1.00 73.12 N ATOM 985 CA VAL A 64 0.798 1.706 1.797 1.00 31.53 C ATOM 986 C VAL A 64 2.034 0.866 1.455 1.00 72.11 C ATOM 987 O VAL A 64 2.771 0.440 2.344 1.00 54.23 O ATOM 988 CB VAL A 64 1.223 3.179 2.007 1.00 53.03 C ATOM 989 CG1 VAL A 64 2.061 3.683 0.837 1.00 40.30 C ATOM 990 CG2 VAL A 64 -0.003 4.062 2.215 1.00 30.43 C ATOM 0 H VAL A 64 0.588 1.415 3.864 1.00 73.12 H new ATOM 0 HA VAL A 64 0.098 1.636 0.965 1.00 31.53 H new ATOM 0 HB VAL A 64 1.841 3.229 2.903 1.00 53.03 H new ATOM 0 HG11 VAL A 64 2.345 4.721 1.013 1.00 40.30 H new ATOM 0 HG12 VAL A 64 2.959 3.072 0.743 1.00 40.30 H new ATOM 0 HG13 VAL A 64 1.479 3.617 -0.082 1.00 40.30 H new ATOM 0 HG21 VAL A 64 0.313 5.095 2.361 1.00 30.43 H new ATOM 0 HG22 VAL A 64 -0.648 4.001 1.339 1.00 30.43 H new ATOM 0 HG23 VAL A 64 -0.551 3.722 3.094 1.00 30.43 H new ATOM 1000 N TYR A 65 2.249 0.624 0.161 1.00 61.41 N ATOM 1001 CA TYR A 65 3.449 -0.069 -0.301 1.00 70.25 C ATOM 1002 C TYR A 65 3.924 0.477 -1.659 1.00 74.11 C ATOM 1003 O TYR A 65 3.133 0.667 -2.583 1.00 13.51 O ATOM 1004 CB TYR A 65 3.194 -1.583 -0.388 1.00 12.35 C ATOM 1005 CG TYR A 65 2.263 -2.009 -1.514 1.00 52.51 C ATOM 1006 CD1 TYR A 65 0.950 -1.559 -1.577 1.00 71.53 C ATOM 1007 CD2 TYR A 65 2.708 -2.860 -2.516 1.00 54.34 C ATOM 1008 CE1 TYR A 65 0.115 -1.945 -2.608 1.00 74.32 C ATOM 1009 CE2 TYR A 65 1.880 -3.250 -3.550 1.00 52.51 C ATOM 1010 CZ TYR A 65 0.583 -2.792 -3.588 1.00 44.24 C ATOM 1011 OH TYR A 65 -0.247 -3.172 -4.619 1.00 43.21 O ATOM 0 H TYR A 65 1.608 0.898 -0.584 1.00 61.41 H new ATOM 0 HA TYR A 65 4.241 0.112 0.426 1.00 70.25 H new ATOM 0 HB2 TYR A 65 4.150 -2.092 -0.513 1.00 12.35 H new ATOM 0 HB3 TYR A 65 2.775 -1.922 0.559 1.00 12.35 H new ATOM 0 HD1 TYR A 65 0.577 -0.898 -0.809 1.00 71.53 H new ATOM 0 HD2 TYR A 65 3.724 -3.225 -2.486 1.00 54.34 H new ATOM 0 HE1 TYR A 65 -0.902 -1.583 -2.645 1.00 74.32 H new ATOM 0 HE2 TYR A 65 2.247 -3.909 -4.323 1.00 52.51 H new ATOM 0 HH TYR A 65 -1.060 -2.625 -4.603 1.00 43.21 H new ATOM 1021 N GLY A 66 5.215 0.768 -1.751 1.00 20.22 N ATOM 1022 CA GLY A 66 5.818 1.151 -3.025 1.00 73.44 C ATOM 1023 C GLY A 66 6.603 0.003 -3.643 1.00 54.52 C ATOM 1024 O GLY A 66 6.417 -1.156 -3.269 1.00 3.53 O ATOM 0 H GLY A 66 5.864 0.747 -0.964 1.00 20.22 H new ATOM 0 HA2 GLY A 66 5.038 1.472 -3.715 1.00 73.44 H new ATOM 0 HA3 GLY A 66 6.479 2.004 -2.873 1.00 73.44 H new ATOM 1028 N ALA A 67 7.472 0.314 -4.598 1.00 63.14 N ATOM 1029 CA ALA A 67 8.358 -0.694 -5.180 1.00 75.14 C ATOM 1030 C ALA A 67 9.435 -1.107 -4.169 1.00 23.13 C ATOM 1031 O ALA A 67 9.771 -2.289 -4.036 1.00 22.40 O ATOM 1032 CB ALA A 67 8.994 -0.165 -6.464 1.00 74.15 C ATOM 0 H ALA A 67 7.584 1.251 -4.986 1.00 63.14 H new ATOM 0 HA ALA A 67 7.768 -1.576 -5.429 1.00 75.14 H new ATOM 0 HB1 ALA A 67 9.651 -0.926 -6.885 1.00 74.15 H new ATOM 0 HB2 ALA A 67 8.212 0.079 -7.184 1.00 74.15 H new ATOM 0 HB3 ALA A 67 9.574 0.731 -6.241 1.00 74.15 H new ATOM 1038 N GLY A 68 9.960 -0.117 -3.449 1.00 23.24 N ATOM 1039 CA GLY A 68 10.943 -0.368 -2.402 1.00 54.52 C ATOM 1040 C GLY A 68 10.452 0.047 -1.018 1.00 43.24 C ATOM 1041 O GLY A 68 9.456 0.767 -0.888 1.00 63.12 O ATOM 0 H GLY A 68 9.719 0.866 -3.573 1.00 23.24 H new ATOM 0 HA2 GLY A 68 11.192 -1.429 -2.391 1.00 54.52 H new ATOM 0 HA3 GLY A 68 11.861 0.173 -2.634 1.00 54.52 H new ATOM 1045 N ASP A 69 11.151 -0.410 0.014 1.00 44.33 N ATOM 1046 CA ASP A 69 10.804 -0.101 1.405 1.00 12.13 C ATOM 1047 C ASP A 69 10.805 1.420 1.673 1.00 4.43 C ATOM 1048 O ASP A 69 9.888 1.955 2.302 1.00 21.50 O ATOM 1049 CB ASP A 69 11.798 -0.809 2.331 1.00 13.40 C ATOM 1050 CG ASP A 69 11.323 -0.876 3.768 1.00 21.30 C ATOM 1051 OD1 ASP A 69 11.494 0.112 4.508 1.00 54.45 O ATOM 1052 OD2 ASP A 69 10.789 -1.930 4.173 1.00 65.14 O ATOM 0 H ASP A 69 11.974 -1.005 -0.084 1.00 44.33 H new ATOM 0 HA ASP A 69 9.792 -0.457 1.600 1.00 12.13 H new ATOM 0 HB2 ASP A 69 11.971 -1.821 1.964 1.00 13.40 H new ATOM 0 HB3 ASP A 69 12.755 -0.288 2.294 1.00 13.40 H new ATOM 1057 N GLU A 70 11.831 2.108 1.173 1.00 22.44 N ATOM 1058 CA GLU A 70 11.971 3.562 1.351 1.00 72.10 C ATOM 1059 C GLU A 70 10.782 4.329 0.745 1.00 13.44 C ATOM 1060 O GLU A 70 10.174 5.179 1.404 1.00 44.00 O ATOM 1061 CB GLU A 70 13.287 4.032 0.716 1.00 42.53 C ATOM 1062 CG GLU A 70 13.542 5.530 0.843 1.00 22.31 C ATOM 1063 CD GLU A 70 14.866 5.954 0.229 1.00 3.54 C ATOM 1064 OE1 GLU A 70 14.918 6.159 -1.004 1.00 13.24 O ATOM 1065 OE2 GLU A 70 15.863 6.084 0.974 1.00 62.41 O ATOM 0 H GLU A 70 12.586 1.682 0.636 1.00 22.44 H new ATOM 0 HA GLU A 70 11.983 3.773 2.420 1.00 72.10 H new ATOM 0 HB2 GLU A 70 14.114 3.493 1.179 1.00 42.53 H new ATOM 0 HB3 GLU A 70 13.284 3.764 -0.340 1.00 42.53 H new ATOM 0 HG2 GLU A 70 12.731 6.075 0.359 1.00 22.31 H new ATOM 0 HG3 GLU A 70 13.529 5.808 1.897 1.00 22.31 H new ATOM 1072 N GLN A 71 10.446 4.009 -0.507 1.00 3.13 N ATOM 1073 CA GLN A 71 9.293 4.617 -1.190 1.00 44.24 C ATOM 1074 C GLN A 71 8.019 4.421 -0.365 1.00 31.13 C ATOM 1075 O GLN A 71 7.196 5.329 -0.218 1.00 74.42 O ATOM 1076 CB GLN A 71 9.108 3.973 -2.571 1.00 23.45 C ATOM 1077 CG GLN A 71 8.017 4.609 -3.425 1.00 53.12 C ATOM 1078 CD GLN A 71 7.999 4.048 -4.837 1.00 24.24 C ATOM 1079 OE1 GLN A 71 8.330 2.887 -5.056 1.00 31.41 O ATOM 1080 NE2 GLN A 71 7.631 4.862 -5.806 1.00 71.30 N ATOM 0 H GLN A 71 10.956 3.330 -1.073 1.00 3.13 H new ATOM 0 HA GLN A 71 9.481 5.684 -1.305 1.00 44.24 H new ATOM 0 HB2 GLN A 71 10.053 4.027 -3.112 1.00 23.45 H new ATOM 0 HB3 GLN A 71 8.877 2.916 -2.437 1.00 23.45 H new ATOM 0 HG2 GLN A 71 7.047 4.443 -2.957 1.00 53.12 H new ATOM 0 HG3 GLN A 71 8.171 5.687 -3.465 1.00 53.12 H new ATOM 0 HE21 GLN A 71 7.361 5.822 -5.591 1.00 71.30 H new ATOM 0 HE22 GLN A 71 7.616 4.532 -6.771 1.00 71.30 H new ATOM 1089 N THR A 72 7.877 3.215 0.170 1.00 51.43 N ATOM 1090 CA THR A 72 6.749 2.855 1.030 1.00 5.24 C ATOM 1091 C THR A 72 6.630 3.803 2.233 1.00 73.43 C ATOM 1092 O THR A 72 5.583 4.412 2.460 1.00 70.41 O ATOM 1093 CB THR A 72 6.909 1.403 1.544 1.00 62.50 C ATOM 1094 OG1 THR A 72 6.990 0.496 0.432 1.00 71.44 O ATOM 1095 CG2 THR A 72 5.759 0.994 2.453 1.00 22.50 C ATOM 0 H THR A 72 8.541 2.455 0.021 1.00 51.43 H new ATOM 0 HA THR A 72 5.843 2.940 0.430 1.00 5.24 H new ATOM 0 HB THR A 72 7.829 1.360 2.127 1.00 62.50 H new ATOM 0 HG1 THR A 72 7.861 0.594 -0.007 1.00 71.44 H new ATOM 0 HG21 THR A 72 5.910 -0.031 2.792 1.00 22.50 H new ATOM 0 HG22 THR A 72 5.723 1.659 3.316 1.00 22.50 H new ATOM 0 HG23 THR A 72 4.820 1.060 1.904 1.00 22.50 H new ATOM 1103 N SER A 73 7.722 3.939 2.982 1.00 53.32 N ATOM 1104 CA SER A 73 7.734 4.748 4.210 1.00 41.33 C ATOM 1105 C SER A 73 7.502 6.245 3.926 1.00 1.34 C ATOM 1106 O SER A 73 6.820 6.931 4.695 1.00 40.11 O ATOM 1107 CB SER A 73 9.059 4.559 4.958 1.00 65.04 C ATOM 1108 OG SER A 73 9.025 5.178 6.234 1.00 65.04 O ATOM 0 H SER A 73 8.616 3.499 2.763 1.00 53.32 H new ATOM 0 HA SER A 73 6.909 4.400 4.831 1.00 41.33 H new ATOM 0 HB2 SER A 73 9.265 3.495 5.073 1.00 65.04 H new ATOM 0 HB3 SER A 73 9.874 4.980 4.369 1.00 65.04 H new ATOM 0 HG SER A 73 8.470 4.646 6.841 1.00 65.04 H new ATOM 1114 N GLN A 74 8.050 6.747 2.817 1.00 52.30 N ATOM 1115 CA GLN A 74 7.886 8.148 2.437 1.00 33.43 C ATOM 1116 C GLN A 74 6.432 8.455 2.051 1.00 44.30 C ATOM 1117 O GLN A 74 5.867 9.467 2.465 1.00 73.41 O ATOM 1118 CB GLN A 74 8.834 8.482 1.277 1.00 74.54 C ATOM 1119 CG GLN A 74 8.407 9.702 0.480 1.00 23.43 C ATOM 1120 CD GLN A 74 9.387 10.091 -0.616 1.00 63.31 C ATOM 1121 OE1 GLN A 74 8.998 10.615 -1.655 1.00 1.42 O ATOM 1122 NE2 GLN A 74 10.663 9.856 -0.389 1.00 31.55 N ATOM 0 H GLN A 74 8.613 6.200 2.166 1.00 52.30 H new ATOM 0 HA GLN A 74 8.136 8.771 3.296 1.00 33.43 H new ATOM 0 HB2 GLN A 74 9.836 8.649 1.673 1.00 74.54 H new ATOM 0 HB3 GLN A 74 8.894 7.623 0.608 1.00 74.54 H new ATOM 0 HG2 GLN A 74 7.432 9.509 0.032 1.00 23.43 H new ATOM 0 HG3 GLN A 74 8.284 10.544 1.161 1.00 23.43 H new ATOM 0 HE21 GLN A 74 10.953 9.419 0.486 1.00 31.55 H new ATOM 0 HE22 GLN A 74 11.361 10.111 -1.088 1.00 31.55 H new ATOM 1131 N ALA A 75 5.829 7.580 1.257 1.00 23.34 N ATOM 1132 CA ALA A 75 4.420 7.725 0.884 1.00 33.41 C ATOM 1133 C ALA A 75 3.522 7.785 2.130 1.00 41.23 C ATOM 1134 O ALA A 75 2.632 8.635 2.240 1.00 74.14 O ATOM 1135 CB ALA A 75 4.006 6.579 -0.019 1.00 54.43 C ATOM 0 H ALA A 75 6.289 6.762 0.857 1.00 23.34 H new ATOM 0 HA ALA A 75 4.299 8.664 0.343 1.00 33.41 H new ATOM 0 HB1 ALA A 75 2.957 6.692 -0.293 1.00 54.43 H new ATOM 0 HB2 ALA A 75 4.619 6.586 -0.920 1.00 54.43 H new ATOM 0 HB3 ALA A 75 4.144 5.634 0.506 1.00 54.43 H new ATOM 1141 N VAL A 76 3.769 6.871 3.063 1.00 41.23 N ATOM 1142 CA VAL A 76 3.115 6.901 4.381 1.00 54.23 C ATOM 1143 C VAL A 76 3.285 8.273 5.063 1.00 63.30 C ATOM 1144 O VAL A 76 2.343 8.809 5.657 1.00 73.13 O ATOM 1145 CB VAL A 76 3.678 5.790 5.309 1.00 3.14 C ATOM 1146 CG1 VAL A 76 3.113 5.909 6.727 1.00 3.35 C ATOM 1147 CG2 VAL A 76 3.383 4.411 4.724 1.00 22.02 C ATOM 0 H VAL A 76 4.419 6.095 2.937 1.00 41.23 H new ATOM 0 HA VAL A 76 2.053 6.722 4.214 1.00 54.23 H new ATOM 0 HB VAL A 76 4.758 5.919 5.373 1.00 3.14 H new ATOM 0 HG11 VAL A 76 3.527 5.117 7.351 1.00 3.35 H new ATOM 0 HG12 VAL A 76 3.382 6.879 7.146 1.00 3.35 H new ATOM 0 HG13 VAL A 76 2.027 5.816 6.695 1.00 3.35 H new ATOM 0 HG21 VAL A 76 3.783 3.642 5.385 1.00 22.02 H new ATOM 0 HG22 VAL A 76 2.305 4.280 4.626 1.00 22.02 H new ATOM 0 HG23 VAL A 76 3.849 4.325 3.743 1.00 22.02 H new ATOM 1157 N ASN A 77 4.493 8.835 4.969 1.00 10.20 N ATOM 1158 CA ASN A 77 4.782 10.177 5.498 1.00 24.32 C ATOM 1159 C ASN A 77 3.875 11.231 4.850 1.00 14.21 C ATOM 1160 O ASN A 77 3.279 12.064 5.532 1.00 34.33 O ATOM 1161 CB ASN A 77 6.251 10.534 5.239 1.00 64.15 C ATOM 1162 CG ASN A 77 6.625 11.908 5.766 1.00 32.25 C ATOM 1163 OD1 ASN A 77 6.921 12.079 6.944 1.00 24.32 O ATOM 1164 ND2 ASN A 77 6.648 12.893 4.892 1.00 34.12 N ATOM 0 H ASN A 77 5.293 8.381 4.529 1.00 10.20 H new ATOM 0 HA ASN A 77 4.590 10.168 6.571 1.00 24.32 H new ATOM 0 HB2 ASN A 77 6.890 9.785 5.706 1.00 64.15 H new ATOM 0 HB3 ASN A 77 6.446 10.496 4.167 1.00 64.15 H new ATOM 0 HD21 ASN A 77 6.918 13.831 5.188 1.00 34.12 H new ATOM 0 HD22 ASN A 77 6.396 12.718 3.919 1.00 34.12 H new ATOM 1171 N LEU A 78 3.779 11.172 3.528 1.00 52.15 N ATOM 1172 CA LEU A 78 2.987 12.124 2.747 1.00 15.34 C ATOM 1173 C LEU A 78 1.495 12.075 3.118 1.00 72.14 C ATOM 1174 O LEU A 78 0.840 13.114 3.217 1.00 23.30 O ATOM 1175 CB LEU A 78 3.195 11.825 1.260 1.00 15.12 C ATOM 1176 CG LEU A 78 4.650 11.985 0.789 1.00 23.31 C ATOM 1177 CD1 LEU A 78 4.898 11.228 -0.508 1.00 4.11 C ATOM 1178 CD2 LEU A 78 5.005 13.462 0.632 1.00 42.04 C ATOM 0 H LEU A 78 4.247 10.463 2.963 1.00 52.15 H new ATOM 0 HA LEU A 78 3.325 13.135 2.974 1.00 15.34 H new ATOM 0 HB2 LEU A 78 2.867 10.806 1.055 1.00 15.12 H new ATOM 0 HB3 LEU A 78 2.559 12.488 0.674 1.00 15.12 H new ATOM 0 HG LEU A 78 5.298 11.555 1.552 1.00 23.31 H new ATOM 0 HD11 LEU A 78 5.936 11.361 -0.814 1.00 4.11 H new ATOM 0 HD12 LEU A 78 4.698 10.168 -0.354 1.00 4.11 H new ATOM 0 HD13 LEU A 78 4.238 11.612 -1.286 1.00 4.11 H new ATOM 0 HD21 LEU A 78 6.038 13.554 0.298 1.00 42.04 H new ATOM 0 HD22 LEU A 78 4.344 13.919 -0.104 1.00 42.04 H new ATOM 0 HD23 LEU A 78 4.887 13.968 1.590 1.00 42.04 H new ATOM 1190 N LEU A 79 0.963 10.874 3.341 1.00 24.11 N ATOM 1191 CA LEU A 79 -0.438 10.727 3.755 1.00 43.43 C ATOM 1192 C LEU A 79 -0.695 11.325 5.146 1.00 54.21 C ATOM 1193 O LEU A 79 -1.594 12.150 5.315 1.00 53.02 O ATOM 1194 CB LEU A 79 -0.867 9.255 3.726 1.00 42.42 C ATOM 1195 CG LEU A 79 -1.088 8.671 2.323 1.00 60.43 C ATOM 1196 CD1 LEU A 79 -1.520 7.211 2.404 1.00 23.41 C ATOM 1197 CD2 LEU A 79 -2.119 9.494 1.548 1.00 40.43 C ATOM 0 H LEU A 79 1.472 9.995 3.244 1.00 24.11 H new ATOM 0 HA LEU A 79 -1.040 11.285 3.037 1.00 43.43 H new ATOM 0 HB2 LEU A 79 -0.108 8.661 4.235 1.00 42.42 H new ATOM 0 HB3 LEU A 79 -1.790 9.150 4.296 1.00 42.42 H new ATOM 0 HG LEU A 79 -0.140 8.717 1.787 1.00 60.43 H new ATOM 0 HD11 LEU A 79 -1.670 6.820 1.398 1.00 23.41 H new ATOM 0 HD12 LEU A 79 -0.747 6.630 2.907 1.00 23.41 H new ATOM 0 HD13 LEU A 79 -2.452 7.138 2.965 1.00 23.41 H new ATOM 0 HD21 LEU A 79 -2.259 9.062 0.557 1.00 40.43 H new ATOM 0 HD22 LEU A 79 -3.068 9.487 2.085 1.00 40.43 H new ATOM 0 HD23 LEU A 79 -1.765 10.520 1.449 1.00 40.43 H new ATOM 1209 N ARG A 80 0.087 10.920 6.147 1.00 22.24 N ATOM 1210 CA ARG A 80 -0.070 11.487 7.493 1.00 13.42 C ATOM 1211 C ARG A 80 0.235 12.996 7.487 1.00 44.14 C ATOM 1212 O ARG A 80 -0.311 13.754 8.288 1.00 13.25 O ATOM 1213 CB ARG A 80 0.792 10.738 8.525 1.00 62.21 C ATOM 1214 CG ARG A 80 2.275 10.667 8.193 1.00 54.33 C ATOM 1215 CD ARG A 80 3.024 9.758 9.169 1.00 21.02 C ATOM 1216 NE ARG A 80 2.478 8.395 9.183 1.00 41.35 N ATOM 1217 CZ ARG A 80 2.367 7.654 10.258 1.00 52.02 C ATOM 1218 NH1 ARG A 80 2.787 8.081 11.405 1.00 2.30 N ATOM 1219 NH2 ARG A 80 1.844 6.473 10.184 1.00 71.22 N ATOM 0 H ARG A 80 0.821 10.217 6.059 1.00 22.24 H new ATOM 0 HA ARG A 80 -1.110 11.358 7.793 1.00 13.42 H new ATOM 0 HB2 ARG A 80 0.675 11.223 9.494 1.00 62.21 H new ATOM 0 HB3 ARG A 80 0.409 9.723 8.628 1.00 62.21 H new ATOM 0 HG2 ARG A 80 2.404 10.296 7.176 1.00 54.33 H new ATOM 0 HG3 ARG A 80 2.704 11.668 8.224 1.00 54.33 H new ATOM 0 HD2 ARG A 80 4.078 9.723 8.895 1.00 21.02 H new ATOM 0 HD3 ARG A 80 2.969 10.181 10.172 1.00 21.02 H new ATOM 0 HE ARG A 80 2.164 7.999 8.297 1.00 41.35 H new ATOM 0 HH11 ARG A 80 3.211 9.006 11.481 1.00 2.30 H new ATOM 0 HH12 ARG A 80 2.694 7.493 12.233 1.00 2.30 H new ATOM 0 HH21 ARG A 80 1.516 6.116 9.287 1.00 71.22 H new ATOM 0 HH22 ARG A 80 1.759 5.899 11.023 1.00 71.22 H new ATOM 1233 N SER A 81 1.091 13.427 6.557 1.00 64.10 N ATOM 1234 CA SER A 81 1.313 14.860 6.299 1.00 22.54 C ATOM 1235 C SER A 81 0.031 15.531 5.779 1.00 3.31 C ATOM 1236 O SER A 81 -0.278 16.665 6.138 1.00 11.11 O ATOM 1237 CB SER A 81 2.448 15.055 5.284 1.00 41.34 C ATOM 1238 OG SER A 81 2.588 16.416 4.912 1.00 72.50 O ATOM 0 H SER A 81 1.645 12.806 5.967 1.00 64.10 H new ATOM 0 HA SER A 81 1.594 15.329 7.242 1.00 22.54 H new ATOM 0 HB2 SER A 81 3.384 14.696 5.711 1.00 41.34 H new ATOM 0 HB3 SER A 81 2.251 14.453 4.397 1.00 41.34 H new ATOM 0 HG SER A 81 3.320 16.505 4.266 1.00 72.50 H new ATOM 1244 N ALA A 82 -0.715 14.813 4.933 1.00 42.51 N ATOM 1245 CA ALA A 82 -2.007 15.297 4.417 1.00 43.33 C ATOM 1246 C ALA A 82 -3.117 15.203 5.482 1.00 31.32 C ATOM 1247 O ALA A 82 -4.258 15.615 5.251 1.00 25.24 O ATOM 1248 CB ALA A 82 -2.401 14.509 3.169 1.00 24.25 C ATOM 0 H ALA A 82 -0.448 13.891 4.588 1.00 42.51 H new ATOM 0 HA ALA A 82 -1.890 16.349 4.156 1.00 43.33 H new ATOM 0 HB1 ALA A 82 -3.358 14.874 2.795 1.00 24.25 H new ATOM 0 HB2 ALA A 82 -1.638 14.638 2.401 1.00 24.25 H new ATOM 0 HB3 ALA A 82 -2.489 13.452 3.419 1.00 24.25 H new ATOM 1254 N GLY A 83 -2.781 14.643 6.642 1.00 62.52 N ATOM 1255 CA GLY A 83 -3.730 14.559 7.747 1.00 64.14 C ATOM 1256 C GLY A 83 -4.267 13.151 7.992 1.00 62.02 C ATOM 1257 O GLY A 83 -5.043 12.935 8.926 1.00 23.21 O ATOM 0 H GLY A 83 -1.864 14.243 6.840 1.00 62.52 H new ATOM 0 HA2 GLY A 83 -3.247 14.917 8.656 1.00 64.14 H new ATOM 0 HA3 GLY A 83 -4.567 15.227 7.546 1.00 64.14 H new ATOM 1261 N PHE A 84 -3.874 12.193 7.152 1.00 14.32 N ATOM 1262 CA PHE A 84 -4.319 10.800 7.313 1.00 21.34 C ATOM 1263 C PHE A 84 -3.818 10.197 8.637 1.00 4.14 C ATOM 1264 O PHE A 84 -2.628 9.934 8.805 1.00 21.32 O ATOM 1265 CB PHE A 84 -3.854 9.933 6.135 1.00 72.54 C ATOM 1266 CG PHE A 84 -4.588 10.187 4.836 1.00 20.24 C ATOM 1267 CD1 PHE A 84 -4.266 11.274 4.034 1.00 52.45 C ATOM 1268 CD2 PHE A 84 -5.586 9.320 4.407 1.00 74.31 C ATOM 1269 CE1 PHE A 84 -4.927 11.492 2.839 1.00 1.43 C ATOM 1270 CE2 PHE A 84 -6.248 9.540 3.218 1.00 21.12 C ATOM 1271 CZ PHE A 84 -5.918 10.622 2.432 1.00 24.22 C ATOM 0 H PHE A 84 -3.253 12.349 6.358 1.00 14.32 H new ATOM 0 HA PHE A 84 -5.409 10.812 7.332 1.00 21.34 H new ATOM 0 HB2 PHE A 84 -2.789 10.103 5.974 1.00 72.54 H new ATOM 0 HB3 PHE A 84 -3.972 8.884 6.405 1.00 72.54 H new ATOM 0 HD1 PHE A 84 -3.490 11.957 4.347 1.00 52.45 H new ATOM 0 HD2 PHE A 84 -5.846 8.464 5.012 1.00 74.31 H new ATOM 0 HE1 PHE A 84 -4.668 12.342 2.225 1.00 1.43 H new ATOM 0 HE2 PHE A 84 -7.027 8.862 2.902 1.00 21.12 H new ATOM 0 HZ PHE A 84 -6.434 10.789 1.498 1.00 24.22 H new ATOM 1281 N GLU A 85 -4.751 9.986 9.562 1.00 14.11 N ATOM 1282 CA GLU A 85 -4.452 9.429 10.886 1.00 15.34 C ATOM 1283 C GLU A 85 -3.897 7.997 10.811 1.00 64.44 C ATOM 1284 O GLU A 85 -2.828 7.704 11.343 1.00 10.40 O ATOM 1285 CB GLU A 85 -5.727 9.424 11.743 1.00 41.54 C ATOM 1286 CG GLU A 85 -6.254 10.808 12.095 1.00 64.30 C ATOM 1287 CD GLU A 85 -7.498 10.750 12.969 1.00 65.22 C ATOM 1288 OE1 GLU A 85 -7.400 10.285 14.124 1.00 51.11 O ATOM 1289 OE2 GLU A 85 -8.582 11.147 12.498 1.00 11.15 O ATOM 0 H GLU A 85 -5.739 10.196 9.418 1.00 14.11 H new ATOM 0 HA GLU A 85 -3.685 10.061 11.334 1.00 15.34 H new ATOM 0 HB2 GLU A 85 -6.505 8.877 11.211 1.00 41.54 H new ATOM 0 HB3 GLU A 85 -5.528 8.879 12.666 1.00 41.54 H new ATOM 0 HG2 GLU A 85 -5.476 11.369 12.612 1.00 64.30 H new ATOM 0 HG3 GLU A 85 -6.483 11.351 11.178 1.00 64.30 H new ATOM 1296 N HIS A 86 -4.637 7.103 10.154 1.00 32.15 N ATOM 1297 CA HIS A 86 -4.295 5.673 10.154 1.00 34.02 C ATOM 1298 C HIS A 86 -3.610 5.241 8.848 1.00 2.22 C ATOM 1299 O HIS A 86 -4.265 4.781 7.915 1.00 44.33 O ATOM 1300 CB HIS A 86 -5.553 4.823 10.391 1.00 2.15 C ATOM 1301 CG HIS A 86 -6.186 5.015 11.738 1.00 53.30 C ATOM 1302 ND1 HIS A 86 -7.109 4.139 12.265 1.00 1.21 N ATOM 1303 CD2 HIS A 86 -6.036 5.994 12.666 1.00 2.13 C ATOM 1304 CE1 HIS A 86 -7.492 4.567 13.451 1.00 12.43 C ATOM 1305 NE2 HIS A 86 -6.858 5.686 13.716 1.00 43.33 N ATOM 0 H HIS A 86 -5.472 7.338 9.617 1.00 32.15 H new ATOM 0 HA HIS A 86 -3.587 5.511 10.967 1.00 34.02 H new ATOM 0 HB2 HIS A 86 -6.287 5.060 9.621 1.00 2.15 H new ATOM 0 HB3 HIS A 86 -5.294 3.771 10.271 1.00 2.15 H new ATOM 0 HD1 HIS A 86 -7.444 3.291 11.808 1.00 1.21 H new ATOM 0 HD2 HIS A 86 -5.389 6.855 12.590 1.00 2.13 H new ATOM 0 HE1 HIS A 86 -8.207 4.079 14.097 1.00 12.43 H new ATOM 1314 N VAL A 87 -2.290 5.399 8.782 1.00 3.42 N ATOM 1315 CA VAL A 87 -1.513 4.960 7.613 1.00 33.10 C ATOM 1316 C VAL A 87 -0.266 4.170 8.034 1.00 61.44 C ATOM 1317 O VAL A 87 0.619 4.696 8.712 1.00 21.12 O ATOM 1318 CB VAL A 87 -1.084 6.154 6.720 1.00 31.20 C ATOM 1319 CG1 VAL A 87 -0.287 5.667 5.510 1.00 41.42 C ATOM 1320 CG2 VAL A 87 -2.304 6.951 6.269 1.00 75.02 C ATOM 0 H VAL A 87 -1.732 5.827 9.521 1.00 3.42 H new ATOM 0 HA VAL A 87 -2.170 4.311 7.034 1.00 33.10 H new ATOM 0 HB VAL A 87 -0.443 6.808 7.311 1.00 31.20 H new ATOM 0 HG11 VAL A 87 0.003 6.521 4.898 1.00 41.42 H new ATOM 0 HG12 VAL A 87 0.607 5.143 5.850 1.00 41.42 H new ATOM 0 HG13 VAL A 87 -0.902 4.989 4.918 1.00 41.42 H new ATOM 0 HG21 VAL A 87 -1.983 7.784 5.644 1.00 75.02 H new ATOM 0 HG22 VAL A 87 -2.970 6.304 5.698 1.00 75.02 H new ATOM 0 HG23 VAL A 87 -2.831 7.335 7.142 1.00 75.02 H new ATOM 1330 N SER A 88 -0.199 2.915 7.604 1.00 0.20 N ATOM 1331 CA SER A 88 0.902 2.012 7.967 1.00 53.41 C ATOM 1332 C SER A 88 1.783 1.685 6.757 1.00 72.42 C ATOM 1333 O SER A 88 1.318 1.690 5.614 1.00 31.24 O ATOM 1334 CB SER A 88 0.334 0.714 8.551 1.00 3.34 C ATOM 1335 OG SER A 88 1.365 -0.201 8.890 1.00 53.14 O ATOM 0 H SER A 88 -0.900 2.490 6.996 1.00 0.20 H new ATOM 0 HA SER A 88 1.519 2.517 8.710 1.00 53.41 H new ATOM 0 HB2 SER A 88 -0.258 0.942 9.438 1.00 3.34 H new ATOM 0 HB3 SER A 88 -0.339 0.253 7.828 1.00 3.34 H new ATOM 0 HG SER A 88 1.057 -1.117 8.724 1.00 53.14 H new ATOM 1341 N GLU A 89 3.058 1.405 7.015 1.00 2.51 N ATOM 1342 CA GLU A 89 3.998 1.019 5.956 1.00 20.32 C ATOM 1343 C GLU A 89 4.124 -0.510 5.851 1.00 5.31 C ATOM 1344 O GLU A 89 4.436 -1.194 6.833 1.00 14.12 O ATOM 1345 CB GLU A 89 5.375 1.671 6.189 1.00 64.33 C ATOM 1346 CG GLU A 89 5.933 1.494 7.597 1.00 64.21 C ATOM 1347 CD GLU A 89 7.261 2.213 7.794 1.00 1.40 C ATOM 1348 OE1 GLU A 89 7.257 3.454 7.945 1.00 3.22 O ATOM 1349 OE2 GLU A 89 8.314 1.544 7.802 1.00 75.04 O ATOM 0 H GLU A 89 3.468 1.437 7.948 1.00 2.51 H new ATOM 0 HA GLU A 89 3.603 1.383 5.007 1.00 20.32 H new ATOM 0 HB2 GLU A 89 6.085 1.253 5.476 1.00 64.33 H new ATOM 0 HB3 GLU A 89 5.298 2.737 5.974 1.00 64.33 H new ATOM 0 HG2 GLU A 89 5.210 1.870 8.321 1.00 64.21 H new ATOM 0 HG3 GLU A 89 6.065 0.431 7.801 1.00 64.21 H new ATOM 1356 N LEU A 90 3.861 -1.042 4.656 1.00 72.43 N ATOM 1357 CA LEU A 90 3.950 -2.485 4.415 1.00 25.43 C ATOM 1358 C LEU A 90 5.415 -2.929 4.298 1.00 2.13 C ATOM 1359 O LEU A 90 6.007 -2.902 3.211 1.00 5.14 O ATOM 1360 CB LEU A 90 3.183 -2.873 3.144 1.00 31.14 C ATOM 1361 CG LEU A 90 2.958 -4.383 2.954 1.00 23.01 C ATOM 1362 CD1 LEU A 90 2.106 -4.950 4.087 1.00 45.43 C ATOM 1363 CD2 LEU A 90 2.310 -4.665 1.604 1.00 10.22 C ATOM 0 H LEU A 90 3.585 -0.496 3.840 1.00 72.43 H new ATOM 0 HA LEU A 90 3.497 -2.994 5.266 1.00 25.43 H new ATOM 0 HB2 LEU A 90 2.213 -2.376 3.157 1.00 31.14 H new ATOM 0 HB3 LEU A 90 3.726 -2.490 2.280 1.00 31.14 H new ATOM 0 HG LEU A 90 3.930 -4.876 2.978 1.00 23.01 H new ATOM 0 HD11 LEU A 90 1.960 -6.019 3.932 1.00 45.43 H new ATOM 0 HD12 LEU A 90 2.611 -4.787 5.039 1.00 45.43 H new ATOM 0 HD13 LEU A 90 1.138 -4.449 4.100 1.00 45.43 H new ATOM 0 HD21 LEU A 90 2.160 -5.739 1.490 1.00 10.22 H new ATOM 0 HD22 LEU A 90 1.348 -4.156 1.549 1.00 10.22 H new ATOM 0 HD23 LEU A 90 2.958 -4.303 0.806 1.00 10.22 H new ATOM 1375 N LYS A 91 5.998 -3.332 5.421 1.00 71.53 N ATOM 1376 CA LYS A 91 7.411 -3.702 5.468 1.00 74.15 C ATOM 1377 C LYS A 91 7.713 -4.945 4.624 1.00 61.42 C ATOM 1378 O LYS A 91 7.219 -6.044 4.890 1.00 20.45 O ATOM 1379 CB LYS A 91 7.871 -3.881 6.922 1.00 75.10 C ATOM 1380 CG LYS A 91 7.973 -2.563 7.663 1.00 53.51 C ATOM 1381 CD LYS A 91 9.059 -1.664 7.094 1.00 4.15 C ATOM 1382 CE LYS A 91 10.450 -2.215 7.374 1.00 12.52 C ATOM 1383 NZ LYS A 91 11.508 -1.289 6.906 1.00 1.12 N ATOM 0 H LYS A 91 5.514 -3.412 6.315 1.00 71.53 H new ATOM 0 HA LYS A 91 7.981 -2.884 5.027 1.00 74.15 H new ATOM 0 HB2 LYS A 91 7.172 -4.534 7.443 1.00 75.10 H new ATOM 0 HB3 LYS A 91 8.841 -4.378 6.935 1.00 75.10 H new ATOM 0 HG2 LYS A 91 7.014 -2.046 7.615 1.00 53.51 H new ATOM 0 HG3 LYS A 91 8.179 -2.756 8.716 1.00 53.51 H new ATOM 0 HD2 LYS A 91 8.919 -1.560 6.018 1.00 4.15 H new ATOM 0 HD3 LYS A 91 8.969 -0.667 7.525 1.00 4.15 H new ATOM 0 HE2 LYS A 91 10.565 -2.388 8.444 1.00 12.52 H new ATOM 0 HE3 LYS A 91 10.566 -3.180 6.881 1.00 12.52 H new ATOM 0 HZ1 LYS A 91 12.250 -1.829 6.416 1.00 1.12 H new ATOM 0 HZ2 LYS A 91 11.096 -0.594 6.251 1.00 1.12 H new ATOM 0 HZ3 LYS A 91 11.921 -0.794 7.722 1.00 1.12 H new ATOM 1397 N GLY A 92 8.530 -4.739 3.595 1.00 22.34 N ATOM 1398 CA GLY A 92 8.884 -5.811 2.672 1.00 21.53 C ATOM 1399 C GLY A 92 8.552 -5.489 1.214 1.00 74.21 C ATOM 1400 O GLY A 92 9.252 -5.937 0.302 1.00 2.43 O ATOM 0 H GLY A 92 8.959 -3.839 3.380 1.00 22.34 H new ATOM 0 HA2 GLY A 92 9.951 -6.017 2.757 1.00 21.53 H new ATOM 0 HA3 GLY A 92 8.359 -6.721 2.964 1.00 21.53 H new ATOM 1404 N GLY A 93 7.480 -4.723 0.989 1.00 64.04 N ATOM 1405 CA GLY A 93 7.065 -4.388 -0.376 1.00 23.21 C ATOM 1406 C GLY A 93 6.281 -5.511 -1.059 1.00 42.13 C ATOM 1407 O GLY A 93 5.979 -6.538 -0.445 1.00 5.40 O ATOM 0 H GLY A 93 6.892 -4.328 1.723 1.00 64.04 H new ATOM 0 HA2 GLY A 93 6.451 -3.488 -0.352 1.00 23.21 H new ATOM 0 HA3 GLY A 93 7.948 -4.156 -0.971 1.00 23.21 H new ATOM 1411 N LEU A 94 5.964 -5.328 -2.342 1.00 40.34 N ATOM 1412 CA LEU A 94 5.169 -6.313 -3.097 1.00 25.43 C ATOM 1413 C LEU A 94 5.945 -7.619 -3.317 1.00 62.44 C ATOM 1414 O LEU A 94 5.376 -8.705 -3.251 1.00 13.23 O ATOM 1415 CB LEU A 94 4.738 -5.731 -4.449 1.00 14.21 C ATOM 1416 CG LEU A 94 3.883 -6.663 -5.326 1.00 14.44 C ATOM 1417 CD1 LEU A 94 2.547 -6.978 -4.653 1.00 13.45 C ATOM 1418 CD2 LEU A 94 3.663 -6.052 -6.706 1.00 53.43 C ATOM 0 H LEU A 94 6.242 -4.510 -2.884 1.00 40.34 H new ATOM 0 HA LEU A 94 4.284 -6.541 -2.503 1.00 25.43 H new ATOM 0 HB2 LEU A 94 4.177 -4.814 -4.269 1.00 14.21 H new ATOM 0 HB3 LEU A 94 5.632 -5.453 -5.008 1.00 14.21 H new ATOM 0 HG LEU A 94 4.425 -7.601 -5.449 1.00 14.44 H new ATOM 0 HD11 LEU A 94 1.963 -7.638 -5.294 1.00 13.45 H new ATOM 0 HD12 LEU A 94 2.728 -7.468 -3.697 1.00 13.45 H new ATOM 0 HD13 LEU A 94 1.996 -6.052 -4.487 1.00 13.45 H new ATOM 0 HD21 LEU A 94 3.056 -6.727 -7.310 1.00 53.43 H new ATOM 0 HD22 LEU A 94 3.149 -5.096 -6.603 1.00 53.43 H new ATOM 0 HD23 LEU A 94 4.626 -5.896 -7.193 1.00 53.43 H new ATOM 1430 N ALA A 95 7.243 -7.510 -3.587 1.00 12.11 N ATOM 1431 CA ALA A 95 8.091 -8.694 -3.766 1.00 71.21 C ATOM 1432 C ALA A 95 8.029 -9.618 -2.541 1.00 5.20 C ATOM 1433 O ALA A 95 8.010 -10.839 -2.675 1.00 41.42 O ATOM 1434 CB ALA A 95 9.529 -8.274 -4.044 1.00 51.50 C ATOM 0 H ALA A 95 7.732 -6.621 -3.687 1.00 12.11 H new ATOM 0 HA ALA A 95 7.713 -9.253 -4.622 1.00 71.21 H new ATOM 0 HB1 ALA A 95 10.148 -9.161 -4.175 1.00 51.50 H new ATOM 0 HB2 ALA A 95 9.563 -7.671 -4.951 1.00 51.50 H new ATOM 0 HB3 ALA A 95 9.906 -7.689 -3.205 1.00 51.50 H new ATOM 1440 N ALA A 96 7.992 -9.024 -1.348 1.00 34.51 N ATOM 1441 CA ALA A 96 7.807 -9.789 -0.111 1.00 41.41 C ATOM 1442 C ALA A 96 6.401 -10.400 -0.063 1.00 35.34 C ATOM 1443 O ALA A 96 6.234 -11.571 0.270 1.00 13.25 O ATOM 1444 CB ALA A 96 8.050 -8.904 1.104 1.00 52.34 C ATOM 0 H ALA A 96 8.087 -8.018 -1.210 1.00 34.51 H new ATOM 0 HA ALA A 96 8.534 -10.601 -0.094 1.00 41.41 H new ATOM 0 HB1 ALA A 96 7.908 -9.488 2.014 1.00 52.34 H new ATOM 0 HB2 ALA A 96 9.069 -8.518 1.075 1.00 52.34 H new ATOM 0 HB3 ALA A 96 7.347 -8.071 1.094 1.00 52.34 H new ATOM 1450 N TRP A 97 5.395 -9.592 -0.412 1.00 51.14 N ATOM 1451 CA TRP A 97 4.008 -10.067 -0.527 1.00 21.14 C ATOM 1452 C TRP A 97 3.923 -11.308 -1.433 1.00 32.22 C ATOM 1453 O TRP A 97 3.137 -12.224 -1.190 1.00 10.04 O ATOM 1454 CB TRP A 97 3.110 -8.949 -1.081 1.00 10.15 C ATOM 1455 CG TRP A 97 1.655 -9.315 -1.144 1.00 40.32 C ATOM 1456 CD1 TRP A 97 0.996 -9.894 -2.188 1.00 2.41 C ATOM 1457 CD2 TRP A 97 0.680 -9.108 -0.121 1.00 34.50 C ATOM 1458 NE1 TRP A 97 -0.330 -10.062 -1.875 1.00 12.34 N ATOM 1459 CE2 TRP A 97 -0.550 -9.584 -0.612 1.00 51.21 C ATOM 1460 CE3 TRP A 97 0.731 -8.564 1.163 1.00 0.41 C ATOM 1461 CZ2 TRP A 97 -1.720 -9.531 0.138 1.00 53.43 C ATOM 1462 CZ3 TRP A 97 -0.430 -8.512 1.907 1.00 13.32 C ATOM 1463 CH2 TRP A 97 -1.643 -8.989 1.391 1.00 42.34 C ATOM 0 H TRP A 97 5.514 -8.601 -0.621 1.00 51.14 H new ATOM 0 HA TRP A 97 3.661 -10.346 0.468 1.00 21.14 H new ATOM 0 HB2 TRP A 97 3.225 -8.062 -0.459 1.00 10.15 H new ATOM 0 HB3 TRP A 97 3.452 -8.683 -2.081 1.00 10.15 H new ATOM 0 HD1 TRP A 97 1.451 -10.179 -3.125 1.00 2.41 H new ATOM 0 HE1 TRP A 97 -1.036 -10.476 -2.484 1.00 12.34 H new ATOM 0 HE3 TRP A 97 1.661 -8.191 1.566 1.00 0.41 H new ATOM 0 HZ2 TRP A 97 -2.654 -9.904 -0.255 1.00 53.43 H new ATOM 0 HZ3 TRP A 97 -0.404 -8.097 2.904 1.00 13.32 H new ATOM 0 HH2 TRP A 97 -2.536 -8.927 1.996 1.00 42.34 H new ATOM 1474 N LYS A 98 4.738 -11.326 -2.483 1.00 2.53 N ATOM 1475 CA LYS A 98 4.820 -12.478 -3.383 1.00 64.15 C ATOM 1476 C LYS A 98 5.660 -13.623 -2.780 1.00 72.24 C ATOM 1477 O LYS A 98 5.293 -14.796 -2.887 1.00 21.41 O ATOM 1478 CB LYS A 98 5.395 -12.044 -4.743 1.00 13.10 C ATOM 1479 CG LYS A 98 4.503 -11.045 -5.479 1.00 73.00 C ATOM 1480 CD LYS A 98 4.829 -10.949 -6.971 1.00 44.02 C ATOM 1481 CE LYS A 98 6.250 -10.475 -7.243 1.00 62.14 C ATOM 1482 NZ LYS A 98 6.521 -10.363 -8.705 1.00 51.34 N ATOM 0 H LYS A 98 5.355 -10.554 -2.735 1.00 2.53 H new ATOM 0 HA LYS A 98 3.809 -12.861 -3.526 1.00 64.15 H new ATOM 0 HB2 LYS A 98 6.379 -11.600 -4.590 1.00 13.10 H new ATOM 0 HB3 LYS A 98 5.537 -12.925 -5.369 1.00 13.10 H new ATOM 0 HG2 LYS A 98 3.460 -11.337 -5.357 1.00 73.00 H new ATOM 0 HG3 LYS A 98 4.614 -10.061 -5.023 1.00 73.00 H new ATOM 0 HD2 LYS A 98 4.684 -11.926 -7.432 1.00 44.02 H new ATOM 0 HD3 LYS A 98 4.127 -10.265 -7.447 1.00 44.02 H new ATOM 0 HE2 LYS A 98 6.408 -9.507 -6.768 1.00 62.14 H new ATOM 0 HE3 LYS A 98 6.959 -11.171 -6.793 1.00 62.14 H new ATOM 0 HZ1 LYS A 98 7.498 -10.038 -8.853 1.00 51.34 H new ATOM 0 HZ2 LYS A 98 6.394 -11.292 -9.154 1.00 51.34 H new ATOM 0 HZ3 LYS A 98 5.861 -9.680 -9.129 1.00 51.34 H new ATOM 1496 N ALA A 99 6.772 -13.277 -2.129 1.00 32.53 N ATOM 1497 CA ALA A 99 7.669 -14.277 -1.519 1.00 53.30 C ATOM 1498 C ALA A 99 6.982 -15.041 -0.373 1.00 13.14 C ATOM 1499 O ALA A 99 7.303 -16.198 -0.098 1.00 61.34 O ATOM 1500 CB ALA A 99 8.939 -13.602 -1.017 1.00 5.44 C ATOM 0 H ALA A 99 7.079 -12.312 -2.007 1.00 32.53 H new ATOM 0 HA ALA A 99 7.926 -15.005 -2.289 1.00 53.30 H new ATOM 0 HB1 ALA A 99 9.595 -14.348 -0.568 1.00 5.44 H new ATOM 0 HB2 ALA A 99 9.451 -13.124 -1.852 1.00 5.44 H new ATOM 0 HB3 ALA A 99 8.681 -12.850 -0.271 1.00 5.44 H new ATOM 1506 N ILE A 100 6.042 -14.383 0.294 1.00 45.54 N ATOM 1507 CA ILE A 100 5.250 -15.015 1.360 1.00 31.51 C ATOM 1508 C ILE A 100 4.058 -15.798 0.770 1.00 31.45 C ATOM 1509 O ILE A 100 3.231 -16.345 1.503 1.00 43.14 O ATOM 1510 CB ILE A 100 4.706 -13.950 2.345 1.00 43.21 C ATOM 1511 CG1 ILE A 100 3.683 -13.068 1.611 1.00 23.24 C ATOM 1512 CG2 ILE A 100 5.851 -13.113 2.916 1.00 52.22 C ATOM 1513 CD1 ILE A 100 3.099 -11.953 2.436 1.00 44.41 C ATOM 0 H ILE A 100 5.803 -13.407 0.120 1.00 45.54 H new ATOM 0 HA ILE A 100 5.909 -15.702 1.891 1.00 31.51 H new ATOM 0 HB ILE A 100 4.213 -14.442 3.184 1.00 43.21 H new ATOM 0 HG12 ILE A 100 4.162 -12.637 0.732 1.00 23.24 H new ATOM 0 HG13 ILE A 100 2.870 -13.700 1.254 1.00 23.24 H new ATOM 0 HG21 ILE A 100 5.450 -12.370 3.606 1.00 52.22 H new ATOM 0 HG22 ILE A 100 6.547 -13.763 3.447 1.00 52.22 H new ATOM 0 HG23 ILE A 100 6.373 -12.609 2.103 1.00 52.22 H new ATOM 0 HD11 ILE A 100 2.389 -11.387 1.833 1.00 44.41 H new ATOM 0 HD12 ILE A 100 2.586 -12.371 3.302 1.00 44.41 H new ATOM 0 HD13 ILE A 100 3.898 -11.292 2.772 1.00 44.41 H new ATOM 1525 N GLY A 101 3.969 -15.823 -0.561 1.00 2.23 N ATOM 1526 CA GLY A 101 2.873 -16.508 -1.240 1.00 61.24 C ATOM 1527 C GLY A 101 1.536 -15.774 -1.134 1.00 71.23 C ATOM 1528 O GLY A 101 0.504 -16.394 -0.878 1.00 32.02 O ATOM 0 H GLY A 101 4.641 -15.378 -1.186 1.00 2.23 H new ATOM 0 HA2 GLY A 101 3.128 -16.631 -2.292 1.00 61.24 H new ATOM 0 HA3 GLY A 101 2.764 -17.508 -0.820 1.00 61.24 H new ATOM 1532 N GLY A 102 1.554 -14.455 -1.313 1.00 55.30 N ATOM 1533 CA GLY A 102 0.324 -13.664 -1.260 1.00 23.02 C ATOM 1534 C GLY A 102 -0.356 -13.506 -2.622 1.00 51.23 C ATOM 1535 O GLY A 102 0.300 -13.581 -3.662 1.00 33.22 O ATOM 0 H GLY A 102 2.399 -13.914 -1.495 1.00 55.30 H new ATOM 0 HA2 GLY A 102 -0.373 -14.135 -0.567 1.00 23.02 H new ATOM 0 HA3 GLY A 102 0.553 -12.676 -0.860 1.00 23.02 H new ATOM 1539 N PRO A 103 -1.685 -13.282 -2.644 1.00 13.02 N ATOM 1540 CA PRO A 103 -2.441 -13.090 -3.895 1.00 4.30 C ATOM 1541 C PRO A 103 -2.178 -11.716 -4.545 1.00 54.55 C ATOM 1542 O PRO A 103 -2.330 -10.671 -3.902 1.00 65.33 O ATOM 1543 CB PRO A 103 -3.902 -13.210 -3.439 1.00 61.33 C ATOM 1544 CG PRO A 103 -3.890 -12.782 -2.008 1.00 22.25 C ATOM 1545 CD PRO A 103 -2.556 -13.218 -1.450 1.00 10.24 C ATOM 0 HA PRO A 103 -2.157 -13.812 -4.661 1.00 4.30 H new ATOM 0 HB2 PRO A 103 -4.557 -12.575 -4.036 1.00 61.33 H new ATOM 0 HB3 PRO A 103 -4.267 -14.232 -3.543 1.00 61.33 H new ATOM 0 HG2 PRO A 103 -4.013 -11.702 -1.923 1.00 22.25 H new ATOM 0 HG3 PRO A 103 -4.711 -13.241 -1.457 1.00 22.25 H new ATOM 0 HD2 PRO A 103 -2.177 -12.508 -0.715 1.00 10.24 H new ATOM 0 HD3 PRO A 103 -2.626 -14.185 -0.952 1.00 10.24 H new ATOM 1553 N THR A 104 -1.787 -11.719 -5.821 1.00 14.23 N ATOM 1554 CA THR A 104 -1.463 -10.475 -6.543 1.00 21.54 C ATOM 1555 C THR A 104 -2.216 -10.367 -7.875 1.00 74.42 C ATOM 1556 O THR A 104 -2.494 -11.367 -8.534 1.00 72.23 O ATOM 1557 CB THR A 104 0.055 -10.361 -6.840 1.00 1.31 C ATOM 1558 OG1 THR A 104 0.500 -11.491 -7.606 1.00 75.23 O ATOM 1559 CG2 THR A 104 0.862 -10.270 -5.554 1.00 32.23 C ATOM 0 H THR A 104 -1.685 -12.566 -6.380 1.00 14.23 H new ATOM 0 HA THR A 104 -1.773 -9.665 -5.883 1.00 21.54 H new ATOM 0 HB THR A 104 0.213 -9.448 -7.414 1.00 1.31 H new ATOM 0 HG1 THR A 104 1.459 -11.406 -7.788 1.00 75.23 H new ATOM 0 HG21 THR A 104 1.922 -10.191 -5.795 1.00 32.23 H new ATOM 0 HG22 THR A 104 0.551 -9.390 -4.991 1.00 32.23 H new ATOM 0 HG23 THR A 104 0.692 -11.164 -4.954 1.00 32.23 H new ATOM 1567 N GLU A 105 -2.546 -9.137 -8.256 1.00 11.31 N ATOM 1568 CA GLU A 105 -3.110 -8.838 -9.576 1.00 51.24 C ATOM 1569 C GLU A 105 -2.131 -7.991 -10.388 1.00 64.11 C ATOM 1570 O GLU A 105 -1.435 -7.138 -9.839 1.00 14.11 O ATOM 1571 CB GLU A 105 -4.437 -8.078 -9.446 1.00 4.44 C ATOM 1572 CG GLU A 105 -5.630 -8.948 -9.102 1.00 62.32 C ATOM 1573 CD GLU A 105 -6.880 -8.126 -8.822 1.00 65.43 C ATOM 1574 OE1 GLU A 105 -7.067 -7.685 -7.670 1.00 54.01 O ATOM 1575 OE2 GLU A 105 -7.668 -7.887 -9.761 1.00 65.31 O ATOM 0 H GLU A 105 -2.432 -8.316 -7.661 1.00 11.31 H new ATOM 0 HA GLU A 105 -3.290 -9.785 -10.084 1.00 51.24 H new ATOM 0 HB2 GLU A 105 -4.329 -7.312 -8.678 1.00 4.44 H new ATOM 0 HB3 GLU A 105 -4.639 -7.562 -10.385 1.00 4.44 H new ATOM 0 HG2 GLU A 105 -5.826 -9.635 -9.925 1.00 62.32 H new ATOM 0 HG3 GLU A 105 -5.394 -9.556 -8.229 1.00 62.32 H new ATOM 1582 N GLY A 106 -2.088 -8.210 -11.691 1.00 41.22 N ATOM 1583 CA GLY A 106 -1.194 -7.420 -12.536 1.00 12.11 C ATOM 1584 C GLY A 106 -0.996 -7.967 -13.946 1.00 21.02 C ATOM 1585 O GLY A 106 -1.321 -9.118 -14.241 1.00 53.22 O ATOM 0 H GLY A 106 -2.645 -8.909 -12.182 1.00 41.22 H new ATOM 0 HA2 GLY A 106 -1.586 -6.406 -12.607 1.00 12.11 H new ATOM 0 HA3 GLY A 106 -0.222 -7.352 -12.048 1.00 12.11 H new ATOM 1589 N ILE A 107 -0.433 -7.127 -14.809 1.00 0.43 N ATOM 1590 CA ILE A 107 -0.178 -7.469 -16.206 1.00 33.42 C ATOM 1591 C ILE A 107 1.107 -8.296 -16.340 1.00 4.33 C ATOM 1592 O ILE A 107 1.121 -9.342 -16.983 1.00 41.45 O ATOM 1593 CB ILE A 107 -0.059 -6.190 -17.072 1.00 34.51 C ATOM 1594 CG1 ILE A 107 -1.295 -5.295 -16.869 1.00 52.20 C ATOM 1595 CG2 ILE A 107 0.113 -6.548 -18.547 1.00 11.34 C ATOM 1596 CD1 ILE A 107 -1.293 -4.045 -17.724 1.00 62.33 C ATOM 0 H ILE A 107 -0.139 -6.183 -14.558 1.00 0.43 H new ATOM 0 HA ILE A 107 -1.021 -8.062 -16.559 1.00 33.42 H new ATOM 0 HB ILE A 107 0.826 -5.638 -16.755 1.00 34.51 H new ATOM 0 HG12 ILE A 107 -2.191 -5.874 -17.091 1.00 52.20 H new ATOM 0 HG13 ILE A 107 -1.354 -5.006 -15.820 1.00 52.20 H new ATOM 0 HG21 ILE A 107 0.194 -5.634 -19.136 1.00 11.34 H new ATOM 0 HG22 ILE A 107 1.017 -7.143 -18.674 1.00 11.34 H new ATOM 0 HG23 ILE A 107 -0.750 -7.122 -18.885 1.00 11.34 H new ATOM 0 HD11 ILE A 107 -2.195 -3.467 -17.525 1.00 62.33 H new ATOM 0 HD12 ILE A 107 -0.416 -3.443 -17.486 1.00 62.33 H new ATOM 0 HD13 ILE A 107 -1.266 -4.325 -18.777 1.00 62.33 H new ATOM 1608 N ILE A 108 2.190 -7.825 -15.726 1.00 2.32 N ATOM 1609 CA ILE A 108 3.438 -8.597 -15.680 1.00 70.33 C ATOM 1610 C ILE A 108 3.253 -9.872 -14.854 1.00 75.14 C ATOM 1611 O ILE A 108 3.823 -10.915 -15.162 1.00 5.04 O ATOM 1612 CB ILE A 108 4.627 -7.750 -15.132 1.00 0.01 C ATOM 1613 CG1 ILE A 108 5.286 -6.942 -16.268 1.00 64.03 C ATOM 1614 CG2 ILE A 108 5.667 -8.633 -14.435 1.00 50.23 C ATOM 1615 CD1 ILE A 108 4.324 -6.098 -17.083 1.00 41.13 C ATOM 0 H ILE A 108 2.233 -6.921 -15.256 1.00 2.32 H new ATOM 0 HA ILE A 108 3.686 -8.878 -16.704 1.00 70.33 H new ATOM 0 HB ILE A 108 4.226 -7.056 -14.394 1.00 0.01 H new ATOM 0 HG12 ILE A 108 6.047 -6.290 -15.838 1.00 64.03 H new ATOM 0 HG13 ILE A 108 5.799 -7.633 -16.937 1.00 64.03 H new ATOM 0 HG21 ILE A 108 6.482 -8.012 -14.065 1.00 50.23 H new ATOM 0 HG22 ILE A 108 5.200 -9.155 -13.600 1.00 50.23 H new ATOM 0 HG23 ILE A 108 6.060 -9.362 -15.144 1.00 50.23 H new ATOM 0 HD11 ILE A 108 4.875 -5.565 -17.858 1.00 41.13 H new ATOM 0 HD12 ILE A 108 3.577 -6.743 -17.546 1.00 41.13 H new ATOM 0 HD13 ILE A 108 3.828 -5.379 -16.431 1.00 41.13 H new